smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name [NH3+][C@@H]1CCC[C@H]2CN(CCOc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230046921 242224648 /nfs/dbraw/zinc/22/46/48/242224648.db2.gz VUBRVOUZCJYTCM-SLEUVZQESA-N 2 0 329.271 3.431 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000230099108 242232035 /nfs/dbraw/zinc/23/20/35/242232035.db2.gz BYGIPVHXBIQZRN-HMXCVIKNSA-N 2 0 339.483 3.334 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@@H](C)c1nc2ccccc2s1 ZINC000158787940 206209050 /nfs/dbraw/zinc/20/90/50/206209050.db2.gz NYRKENIRCNVTCP-HZPDHXFCSA-N 2 0 347.528 3.490 10 0 EGAERP c1ccc2c(c1)CC[C@H](C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)C2 ZINC000359610960 285507077 /nfs/dbraw/zinc/50/70/77/285507077.db2.gz ODYASOQGUBZYLZ-IBGZPJMESA-N 2 0 342.527 3.368 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@@H]1C1CCC1 ZINC000338011232 141073079 /nfs/dbraw/zinc/07/30/79/141073079.db2.gz XBCCLAAAASKUJM-PWRODBHTSA-N 2 0 328.500 3.312 10 0 EGAERP Cc1ccc2nc(CN(C)[C@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000342795597 141149062 /nfs/dbraw/zinc/14/90/62/141149062.db2.gz XOFZCVBBCDTKNA-FQEVSTJZSA-N 2 0 334.467 3.349 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]([NH+]2CCCC2)CC1 ZINC000346201299 141179265 /nfs/dbraw/zinc/17/92/65/141179265.db2.gz MSDXYLGGQWIMCK-LJQANCHMSA-N 2 0 339.487 3.026 10 0 EGAERP CCC[NH+]1CCC([N@H+](C)Cc2ccccc2-c2ccnn2C)CC1 ZINC000350510026 141250962 /nfs/dbraw/zinc/25/09/62/141250962.db2.gz BFWJGQLSAYAVCT-UHFFFAOYSA-N 2 0 326.488 3.393 10 0 EGAERP Cc1c[nH+]ccc1N(C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192569308 144177222 /nfs/dbraw/zinc/17/72/22/144177222.db2.gz OPKHOIOYAOKYLT-NRFANRHFSA-N 2 0 339.483 3.272 10 0 EGAERP CC[NH+](CC)CC1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000344884835 144236375 /nfs/dbraw/zinc/23/63/75/144236375.db2.gz LIXSOFCQEQPKPV-FQEVSTJZSA-N 2 0 345.531 3.260 10 0 EGAERP COCCC1(C[NH+]2CCC(C[NH+]3CCOCC3)CC2)CCCCC1 ZINC000189658094 153088375 /nfs/dbraw/zinc/08/83/75/153088375.db2.gz IZLVOUBUJQFNCQ-UHFFFAOYSA-N 2 0 338.536 3.018 10 0 EGAERP Cc1cnn(-c2cc[nH+]cc2NCc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000344318308 164155272 /nfs/dbraw/zinc/15/52/72/164155272.db2.gz ANBSUMQIAZYGCP-UHFFFAOYSA-N 2 0 345.410 3.077 10 0 EGAERP COc1ccc2c(c1)CN(Cc1cn(-c3cc[nH+]cc3)nc1C)CC2 ZINC000346137042 164346229 /nfs/dbraw/zinc/34/62/29/164346229.db2.gz RCQCGAKROJFZAV-UHFFFAOYSA-N 2 0 334.423 3.143 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCN(c2ccccc2)CC1 ZINC000346152244 164351143 /nfs/dbraw/zinc/35/11/43/164351143.db2.gz ZLFWXTOBCSBNED-UHFFFAOYSA-N 2 0 347.466 3.288 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000346163677 164354266 /nfs/dbraw/zinc/35/42/66/164354266.db2.gz BVHDGJTYJDDIHC-HXUWFJFHSA-N 2 0 339.487 3.026 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H](c2ccsc2)C1 ZINC000346232704 164360717 /nfs/dbraw/zinc/36/07/17/164360717.db2.gz YJCKRTFIEXZDDO-GOSISDBHSA-N 2 0 340.452 3.211 10 0 EGAERP O=[S@](CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798255 166313553 /nfs/dbraw/zinc/31/35/53/166313553.db2.gz OWFFDYAQQCFPDH-YADARESESA-N 2 0 348.556 3.382 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000358995373 167032074 /nfs/dbraw/zinc/03/20/74/167032074.db2.gz RHSZLMSAGINULO-UHFFFAOYSA-N 2 0 341.293 3.279 10 0 EGAERP c1[nH]nc2c1CC[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731285 168039916 /nfs/dbraw/zinc/03/99/16/168039916.db2.gz CCGPNDHPMLDRAH-YSTOQKLRSA-N 2 0 336.483 3.052 10 0 EGAERP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000366732346 168133459 /nfs/dbraw/zinc/13/34/59/168133459.db2.gz WKHISZKETOKOSM-SJLPKXTDSA-N 2 0 344.478 3.437 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000278452133 268016037 /nfs/dbraw/zinc/01/60/37/268016037.db2.gz LPQMBZWPXBBFSD-NDXORKPFSA-N 2 0 342.458 3.359 10 0 EGAERP CO[C@]1(C)C[C@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346181831 274086838 /nfs/dbraw/zinc/08/68/38/274086838.db2.gz VBHCDXDVTCORID-PKOBYXMFSA-N 2 0 328.460 3.211 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358942182 275063119 /nfs/dbraw/zinc/06/31/19/275063119.db2.gz MVIKVIFCAKJCET-JXFKEZNVSA-N 2 0 336.483 3.324 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000353078840 277045613 /nfs/dbraw/zinc/04/56/13/277045613.db2.gz QRFUOHNFRUGLNW-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353439839 279137785 /nfs/dbraw/zinc/13/77/85/279137785.db2.gz JRZUOZXUHUDITD-HBMCJLEFSA-N 3 0 329.532 3.491 10 0 EGAERP COc1ccccc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124675354 295399844 /nfs/dbraw/zinc/39/98/44/295399844.db2.gz YRYXGCMACBLDBD-SFHVURJKSA-N 2 0 345.531 3.296 10 0 EGAERP O=C(C[NH+]1CCC(CCC[NH+]2CCCC2)CC1)NC1CCCCC1 ZINC000121763516 307522985 /nfs/dbraw/zinc/52/29/85/307522985.db2.gz WSYBMZJTOFGPFD-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(N2CCOCC2)c1 ZINC000414188268 309065704 /nfs/dbraw/zinc/06/57/04/309065704.db2.gz QLWWRUBVYBZETC-MRXNPFEDSA-N 2 0 336.439 3.022 10 0 EGAERP OC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414295049 309071109 /nfs/dbraw/zinc/07/11/09/309071109.db2.gz CYAIVDVTGCMQMY-WOJBJXKFSA-N 2 0 328.500 3.182 10 0 EGAERP C[C@H]1C[C@H](C[NH+]2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414687398 309095547 /nfs/dbraw/zinc/09/55/47/309095547.db2.gz HGCPWGRBPKIDIK-PKOBYXMFSA-N 2 0 327.516 3.149 10 0 EGAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414745263 309098636 /nfs/dbraw/zinc/09/86/36/309098636.db2.gz PHMTWNPJOLYORE-MAUKXSAKSA-N 2 0 349.906 3.064 10 0 EGAERP CCOc1cccc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000297637108 308552177 /nfs/dbraw/zinc/55/21/77/308552177.db2.gz MLLSJOODLZBQGT-UHFFFAOYSA-N 2 0 325.456 3.281 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824605 309103979 /nfs/dbraw/zinc/10/39/79/309103979.db2.gz AZIKMNCXWNKGEB-VXGBXAGGSA-N 2 0 329.257 3.108 10 0 EGAERP OC1(C[NH2+]Cc2c(F)cccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397596805 308904573 /nfs/dbraw/zinc/90/45/73/308904573.db2.gz QGJGSZQVIZOVKX-UHFFFAOYSA-N 2 0 346.421 3.082 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414949008 309110941 /nfs/dbraw/zinc/11/09/41/309110941.db2.gz ZHXDTCTWTCGTEA-QFBILLFUSA-N 2 0 340.467 3.362 10 0 EGAERP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1OCc1ccccc1 ZINC000414964325 309111826 /nfs/dbraw/zinc/11/18/26/309111826.db2.gz UVCGXZPGSCFOCQ-LPHOPBHVSA-N 2 0 340.467 3.362 10 0 EGAERP Cc1cccc(CC[C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415049370 309116509 /nfs/dbraw/zinc/11/65/09/309116509.db2.gz GZXVIWVCSMLFGG-KMFTYDHNSA-N 2 0 329.532 3.122 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2OCc2ccccn2)C[C@@]1(C)C[NH3+] ZINC000415056079 309117144 /nfs/dbraw/zinc/11/71/44/309117144.db2.gz PNGNZGKZGOMPBK-OXQOHEQNSA-N 2 0 325.456 3.077 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000415898130 309146741 /nfs/dbraw/zinc/14/67/41/309146741.db2.gz HEUJJJNPXYMDBB-IBGZPJMESA-N 2 0 346.519 3.284 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)Nc1ccccc1C[NH2+]C ZINC000415910554 309147852 /nfs/dbraw/zinc/14/78/52/309147852.db2.gz IFBHXAFIDUVZAF-KRWDZBQOSA-N 2 0 332.492 3.182 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)CC(C)C ZINC000416966559 309188194 /nfs/dbraw/zinc/18/81/94/309188194.db2.gz YOAAYTARMHYFJD-QFBILLFUSA-N 2 0 348.535 3.262 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000417027144 309190191 /nfs/dbraw/zinc/19/01/91/309190191.db2.gz APECEOBOECRDLE-SJORKVTESA-N 2 0 346.519 3.160 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417557424 309210954 /nfs/dbraw/zinc/21/09/54/309210954.db2.gz RKBXGXLQRZKHFB-QFBILLFUSA-N 2 0 346.519 3.160 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000422764361 309367122 /nfs/dbraw/zinc/36/71/22/309367122.db2.gz OITPHDKKEKWKIJ-SFTDATJTSA-N 2 0 349.478 3.273 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000422886478 309374244 /nfs/dbraw/zinc/37/42/44/309374244.db2.gz JDRAIYJRNLUJEH-ZBFHGGJFSA-N 2 0 335.455 3.446 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[NH2+]CC[C@H]2C)CCOCC1 ZINC000422901266 309375288 /nfs/dbraw/zinc/37/52/88/309375288.db2.gz RTZKWCBDAQQVEI-IEBWSBKVSA-N 2 0 346.515 3.030 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422906211 309375569 /nfs/dbraw/zinc/37/55/69/309375569.db2.gz UMYHZUQECWUTCT-QYRPDUKASA-N 2 0 343.515 3.032 10 0 EGAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000422930679 309376608 /nfs/dbraw/zinc/37/66/08/309376608.db2.gz VLZBZCZTYXFFDE-PXNSSMCTSA-N 2 0 343.515 3.192 10 0 EGAERP Fc1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934612 309376898 /nfs/dbraw/zinc/37/68/98/309376898.db2.gz GAYXVVAGOMSPEI-UYAOXDASSA-N 2 0 342.414 3.050 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422941483 309377401 /nfs/dbraw/zinc/37/74/01/309377401.db2.gz ORTVPHAGGKMGHU-OAHLLOKOSA-N 2 0 341.293 3.172 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccc1OC ZINC000422957343 309378124 /nfs/dbraw/zinc/37/81/24/309378124.db2.gz NJGPURKTPKVSHH-PXNSSMCTSA-N 2 0 328.456 3.128 10 0 EGAERP CN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423009784 309380835 /nfs/dbraw/zinc/38/08/35/309380835.db2.gz DWOUTRAHNXBBQA-BCPDWATNSA-N 2 0 339.886 3.331 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000423009807 309380839 /nfs/dbraw/zinc/38/08/39/309380839.db2.gz DZFMFJSEJRSXIA-HMXCVIKNSA-N 2 0 335.451 3.378 10 0 EGAERP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016731 309381131 /nfs/dbraw/zinc/38/11/31/309381131.db2.gz UKOAEBCFGATSTL-IFBDFYPHSA-N 2 0 337.870 3.097 10 0 EGAERP CC(C)[NH+]1CCN(c2cccc(N[C@H](C)c3c[nH+]ccc3N)c2)CC1 ZINC000423026018 309381549 /nfs/dbraw/zinc/38/15/49/309381549.db2.gz MSUHZBOUTXORCY-MRXNPFEDSA-N 2 0 339.487 3.198 10 0 EGAERP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423022813 309381556 /nfs/dbraw/zinc/38/15/56/309381556.db2.gz FYPLVSFUELMQSJ-TVZGQMOCSA-N 2 0 331.435 3.415 10 0 EGAERP CC(C)[NH+]1CCN(c2cccc(N[C@@H](C)c3c[nH+]ccc3N)c2)CC1 ZINC000423026017 309381655 /nfs/dbraw/zinc/38/16/55/309381655.db2.gz MSUHZBOUTXORCY-INIZCTEOSA-N 2 0 339.487 3.198 10 0 EGAERP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093140 309385615 /nfs/dbraw/zinc/38/56/15/309385615.db2.gz FZDFGGNYJGVKLJ-WRWLIDTKSA-N 2 0 332.488 3.019 10 0 EGAERP COCC(C)(C)CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121034 309386899 /nfs/dbraw/zinc/38/68/99/309386899.db2.gz HUFFIXKLIKYAQL-FXAWDEMLSA-N 2 0 332.488 3.285 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000423116893 309386912 /nfs/dbraw/zinc/38/69/12/309386912.db2.gz RZLUDMKGXDWXJR-SMDDNHRTSA-N 2 0 327.266 3.380 10 0 EGAERP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423143592 309388257 /nfs/dbraw/zinc/38/82/57/309388257.db2.gz XLXWJPKMJPTISV-DBVUQKKJSA-N 2 0 333.520 3.198 10 0 EGAERP [NH3+]C1CCC([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000423156554 309388639 /nfs/dbraw/zinc/38/86/39/309388639.db2.gz SSOLXKCWJCPGMP-RPFQZYLTSA-N 2 0 327.241 3.435 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000423292155 309394108 /nfs/dbraw/zinc/39/41/08/309394108.db2.gz LSBGZTLINBCCMV-IAGOWNOFSA-N 3 0 341.499 3.498 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423291970 309394190 /nfs/dbraw/zinc/39/41/90/309394190.db2.gz KURLWIJXIFMUSG-GJZGRUSLSA-N 2 0 325.456 3.259 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1C ZINC000423527018 309404868 /nfs/dbraw/zinc/40/48/68/309404868.db2.gz LWZRCZGENKAULA-JNJNSAIKSA-N 2 0 348.531 3.098 10 0 EGAERP COC(=O)CC1CC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1 ZINC000424258424 309434737 /nfs/dbraw/zinc/43/47/37/309434737.db2.gz LYVLEUVZBFJPPT-UHFFFAOYSA-N 2 0 330.472 3.104 10 0 EGAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446593523 309964462 /nfs/dbraw/zinc/96/44/62/309964462.db2.gz OKKPHUOHMPLSRQ-IRXDYDNUSA-N 2 0 346.519 3.175 10 0 EGAERP C[C@@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000449088633 310036199 /nfs/dbraw/zinc/03/61/99/310036199.db2.gz IJFXAKANWLISQS-IBGZPJMESA-N 2 0 341.499 3.403 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000449117371 310038259 /nfs/dbraw/zinc/03/82/59/310038259.db2.gz UIMUJTCDORHCCI-SFHVURJKSA-N 2 0 330.516 3.367 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC(C)(C)OCCO)CC1 ZINC000449327780 310053827 /nfs/dbraw/zinc/05/38/27/310053827.db2.gz GFOMLHWMXIRRGQ-UHFFFAOYSA-N 2 0 328.541 3.043 10 0 EGAERP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449627914 310075997 /nfs/dbraw/zinc/07/59/97/310075997.db2.gz HRIHRKKJBMYONG-FIKGOQFSSA-N 2 0 330.516 3.485 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000450637446 310134373 /nfs/dbraw/zinc/13/43/73/310134373.db2.gz QPMSBMSTFCDIJE-KRWDZBQOSA-N 2 0 343.506 3.302 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459431848 310552187 /nfs/dbraw/zinc/55/21/87/310552187.db2.gz YYGPJWAOBQZTST-UHFFFAOYSA-N 2 0 341.293 3.366 10 0 EGAERP C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000510934495 312150993 /nfs/dbraw/zinc/15/09/93/312150993.db2.gz QVAASKIWNJOUSN-APWZRJJASA-N 2 0 334.504 3.219 10 0 EGAERP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)O[C@@H](C)C2 ZINC000513754772 312217490 /nfs/dbraw/zinc/21/74/90/312217490.db2.gz NIOIAUHYPYPSQG-WQANXHIZSA-N 2 0 344.499 3.371 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000516449676 312323896 /nfs/dbraw/zinc/32/38/96/312323896.db2.gz HPVONWVZQJACNY-DJKXOVBDSA-N 2 0 325.456 3.420 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)CN1CC[NH+](C)CC1 ZINC000535064031 314022641 /nfs/dbraw/zinc/02/26/41/314022641.db2.gz ISXWSVPRWOBVQO-ZIAGYGMSSA-N 2 0 327.875 3.013 10 0 EGAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)c(F)c1 ZINC000535777549 314073203 /nfs/dbraw/zinc/07/32/03/314073203.db2.gz JOKWKYXSPVIIPY-ZFWWWQNUSA-N 2 0 328.859 3.367 10 0 EGAERP CCC1(C[NH2+][C@H]2CN(C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940172 314217810 /nfs/dbraw/zinc/21/78/10/314217810.db2.gz XXBYUPDOCLRXKD-ICSRJNTNSA-N 2 0 329.532 3.219 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@@H](C)C1 ZINC000539838231 314343844 /nfs/dbraw/zinc/34/38/44/314343844.db2.gz JHZYPOSOOVNTIV-MPGHIAIKSA-N 2 0 332.488 3.181 10 0 EGAERP CCc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000540744948 314400147 /nfs/dbraw/zinc/40/01/47/314400147.db2.gz ZNPRPJYQHFVGTD-HOCLYGCPSA-N 2 0 339.549 3.054 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H]1CC(C)(C)c2ccccc21)C(=O)NCC[NH+](C)C ZINC000540744456 314400254 /nfs/dbraw/zinc/40/02/54/314400254.db2.gz OUELWWXGTIADKU-OALUTQOASA-N 2 0 345.531 3.091 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@H]2CCC[C@@H]21 ZINC000552248422 315209403 /nfs/dbraw/zinc/20/94/03/315209403.db2.gz GWCANJYOYOVHKL-IKGGRYGDSA-N 2 0 330.472 3.155 10 0 EGAERP Cc1ccccc1[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000552946980 315238232 /nfs/dbraw/zinc/23/82/32/315238232.db2.gz DXMAUYJDGGLIDA-NRFANRHFSA-N 2 0 343.515 3.025 10 0 EGAERP C[C@H]([NH3+])CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000570448178 317056932 /nfs/dbraw/zinc/05/69/32/317056932.db2.gz LWCZJYVZSMHJRZ-INIZCTEOSA-N 2 0 339.483 3.159 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941778 317130968 /nfs/dbraw/zinc/13/09/68/317130968.db2.gz KXLIHGOVCYNEAW-WOJBJXKFSA-N 2 0 336.483 3.004 10 0 EGAERP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000572112367 317292614 /nfs/dbraw/zinc/29/26/14/317292614.db2.gz FOWMKFLYHZZVNC-MRXNPFEDSA-N 2 0 330.394 3.075 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCCCC[C@@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000574392387 317592971 /nfs/dbraw/zinc/59/29/71/317592971.db2.gz UITFFEHGUVDXBB-YAJHFMINSA-N 2 0 331.504 3.368 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000178619771 323359082 /nfs/dbraw/zinc/35/90/82/323359082.db2.gz FRPHPJPBMGLUIV-CALCHBBNSA-N 2 0 342.487 3.056 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000580956736 325314278 /nfs/dbraw/zinc/31/42/78/325314278.db2.gz CCYPOBQPRXKGDN-FPAYPSAMSA-N 2 0 331.479 3.257 10 0 EGAERP CCCCn1c(SC[C@@H](C)[NH+](C)C)nnc1[C@H](CC)N(C)C ZINC000358858478 457008358 /nfs/dbraw/zinc/00/83/58/457008358.db2.gz AHOUPHTZZRPKNE-KGLIPLIRSA-N 2 0 327.542 3.133 10 0 EGAERP CCC1([NH+]2CCCC2)CCN(C[C@@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000631836743 460577231 /nfs/dbraw/zinc/57/72/31/460577231.db2.gz GCOODPXHSWQMKH-LJQANCHMSA-N 2 0 345.531 3.078 10 0 EGAERP Cc1ncc([C@H](C)[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000245573568 455334155 /nfs/dbraw/zinc/33/41/55/455334155.db2.gz DBTLTLVSUFRGAS-JKIFEVAISA-N 2 0 330.501 3.408 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1(C)C ZINC000623507242 460588074 /nfs/dbraw/zinc/58/80/74/460588074.db2.gz AGCDZRCDGVHZHU-ZVDOUQERSA-N 2 0 348.506 3.362 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000008429089 453203471 /nfs/dbraw/zinc/20/34/71/453203471.db2.gz GCLRZSOLNBUYPJ-DLBZAZTESA-N 2 0 347.503 3.266 10 0 EGAERP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887995 460590068 /nfs/dbraw/zinc/59/00/68/460590068.db2.gz SHMDEMAWFZRKCX-GOEBONIOSA-N 2 0 328.378 3.202 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968602 460599622 /nfs/dbraw/zinc/59/96/22/460599622.db2.gz KVVHBICQSZKQEM-HNNXBMFYSA-N 2 0 346.302 3.053 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C2CCC(O)CC2)cc1C[NH+]1CCCC1 ZINC000095427048 454210119 /nfs/dbraw/zinc/21/01/19/454210119.db2.gz LAJBYJOSLIYPJD-MNNVXMFVSA-N 2 0 332.488 3.245 10 0 EGAERP CC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000132432127 454337918 /nfs/dbraw/zinc/33/79/18/454337918.db2.gz LWRGXMXEQDZLSY-VQTJNVASSA-N 2 0 333.520 3.008 10 0 EGAERP CC[N@@H+]1CC[C@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)[C@H](C)C1 ZINC000097095638 454405461 /nfs/dbraw/zinc/40/54/61/454405461.db2.gz XEUIBHBBSPOBQM-XLIONFOSSA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000091348791 454429237 /nfs/dbraw/zinc/42/92/37/454429237.db2.gz FQCYAIZMTRFCCN-HXUWFJFHSA-N 2 0 344.547 3.319 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000121699167 454466605 /nfs/dbraw/zinc/46/66/05/454466605.db2.gz ODNLEUKJEZZAAX-SFHVURJKSA-N 3 0 347.547 3.400 10 0 EGAERP Clc1cc(CN2CC[C@@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150808687 454895736 /nfs/dbraw/zinc/89/57/36/454895736.db2.gz QIYQWHGLEXYONV-AWEZNQCLSA-N 2 0 336.863 3.124 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000165859999 454904360 /nfs/dbraw/zinc/90/43/60/454904360.db2.gz HRUFYEVLPBNRBK-WWMYMODYSA-N 2 0 339.483 3.479 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(CCOC)CC2)CC1 ZINC000151175076 454948076 /nfs/dbraw/zinc/94/80/76/454948076.db2.gz KZNRMAGOSGKGRU-UHFFFAOYSA-N 2 0 345.531 3.125 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180007887 455114550 /nfs/dbraw/zinc/11/45/50/455114550.db2.gz UAYIIIQSJLJVKJ-IBGZPJMESA-N 2 0 335.923 3.407 10 0 EGAERP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000245381007 455282673 /nfs/dbraw/zinc/28/26/73/455282673.db2.gz BOZVDSIUXIKTPO-BRWVUGGUSA-N 2 0 329.488 3.482 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cccc3[nH]ccc32)(N2CCCCC2)CC1 ZINC000174581585 455405694 /nfs/dbraw/zinc/40/56/94/455405694.db2.gz UKYIFDRUCBUGFX-UHFFFAOYSA-N 2 0 340.515 3.208 10 0 EGAERP Clc1cccc(-c2noc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)c1 ZINC000246361966 455477832 /nfs/dbraw/zinc/47/78/32/455477832.db2.gz IPWJNCOUKFAHGY-HOTGVXAUSA-N 2 0 346.862 3.149 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)[C@@H](C)C1 ZINC000246401206 455483931 /nfs/dbraw/zinc/48/39/31/455483931.db2.gz ALVUBKTXGVVULX-YJBOKZPZSA-N 2 0 329.492 3.174 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205035 455573370 /nfs/dbraw/zinc/57/33/70/455573370.db2.gz WOLGFSLPPZEUFC-GHTZIAJQSA-N 2 0 329.532 3.279 10 0 EGAERP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000269030392 455769243 /nfs/dbraw/zinc/76/92/43/455769243.db2.gz ROHJKVCFUYMALR-ZDUSSCGKSA-N 2 0 335.883 3.222 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@@H]1CCC=CO1 ZINC000193903584 455786322 /nfs/dbraw/zinc/78/63/22/455786322.db2.gz KDFQHRKCGUBECY-LEWJYISDSA-N 2 0 344.499 3.057 10 0 EGAERP Cc1ccc([C@@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000272409273 455941510 /nfs/dbraw/zinc/94/15/10/455941510.db2.gz KVQWULSOQVZSKC-HAGHYFMRSA-N 2 0 340.467 3.407 10 0 EGAERP COC(=O)C1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000237124515 456235796 /nfs/dbraw/zinc/23/57/96/456235796.db2.gz FMTBKZNLIYLYTM-UHFFFAOYSA-N 2 0 344.499 3.494 10 0 EGAERP C[N@@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1Cc1ccccc1 ZINC000297557821 456252323 /nfs/dbraw/zinc/25/23/23/456252323.db2.gz GYYSNQRGNSPONB-PKTZIBPZSA-N 2 0 349.522 3.120 10 0 EGAERP COC(=O)C(C)(C)CC[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000352916371 456410698 /nfs/dbraw/zinc/41/06/98/456410698.db2.gz RNWREWYAXYAIAN-UHFFFAOYSA-N 2 0 332.488 3.351 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H]2CCC[C@H]21 ZINC000340424191 456453768 /nfs/dbraw/zinc/45/37/68/456453768.db2.gz BVVSUAQOIOSWML-QLFBSQMISA-N 2 0 327.394 3.105 10 0 EGAERP C[C@@H]([NH2+]CCc1cncn1C)c1cccc(OCc2ccccn2)c1 ZINC000298460707 456463428 /nfs/dbraw/zinc/46/34/28/456463428.db2.gz OGLCBPHLVFTLSN-MRXNPFEDSA-N 2 0 336.439 3.287 10 0 EGAERP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657703157 462237442 /nfs/dbraw/zinc/23/74/42/462237442.db2.gz UYWIOQXBEKBSHV-ZWKOTPCHSA-N 2 0 340.471 3.483 10 0 EGAERP Cn1cc(-c2ccc(C[NH2+]C3CCC(C[NH+](C)C)CC3)s2)cn1 ZINC000337794114 456549853 /nfs/dbraw/zinc/54/98/53/456549853.db2.gz FFBBKNYVBREXKR-UHFFFAOYSA-N 2 0 332.517 3.359 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)[C@H](C)C1 ZINC000282715417 456600695 /nfs/dbraw/zinc/60/06/95/456600695.db2.gz BSJDRGJZXMFDOC-RHSMWYFYSA-N 2 0 332.517 3.311 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283481524 456789279 /nfs/dbraw/zinc/78/92/79/456789279.db2.gz XDTMTPKTTHPVFW-YYWHXJBOSA-N 2 0 329.532 3.042 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)CC[C@@H]2CCCC[NH+]2C)CC1 ZINC000353789811 456906859 /nfs/dbraw/zinc/90/68/59/456906859.db2.gz UKXGHGBCGGVVGM-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000346443611 457043180 /nfs/dbraw/zinc/04/31/80/457043180.db2.gz JNTVDDQKYPECJC-YYAJDYIMSA-N 2 0 349.544 3.120 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000339315944 457052357 /nfs/dbraw/zinc/05/23/57/457052357.db2.gz LFOCYKWOGATJOS-UHFFFAOYSA-N 2 0 327.472 3.475 10 0 EGAERP C[C@@H]1C[C@H]1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000354206420 457129644 /nfs/dbraw/zinc/12/96/44/457129644.db2.gz JVIDJEQSLSWMEH-YZGWKJHDSA-N 2 0 328.500 3.161 10 0 EGAERP CC[C@@H]1C[C@H](C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)CCO1 ZINC000356987295 457259587 /nfs/dbraw/zinc/25/95/87/457259587.db2.gz JSPKYQSISQSCRE-WOJBJXKFSA-N 2 0 340.552 3.262 10 0 EGAERP CCN(CCC[NH+]1CCC(C[NH+]2CCCC2)CC1)CC(F)(F)F ZINC000347288227 457332138 /nfs/dbraw/zinc/33/21/38/457332138.db2.gz RPXPTYHGUVVRKJ-UHFFFAOYSA-N 2 0 335.458 3.069 10 0 EGAERP Cc1ccc(F)c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397507312 457488932 /nfs/dbraw/zinc/48/89/32/457488932.db2.gz HIXAAQYYKSWJQV-UHFFFAOYSA-N 2 0 342.458 3.251 10 0 EGAERP C[C@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000397625326 457490371 /nfs/dbraw/zinc/49/03/71/457490371.db2.gz KGFBDAYTAXSZNB-LJQANCHMSA-N 2 0 338.495 3.407 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433057888 457655568 /nfs/dbraw/zinc/65/55/68/457655568.db2.gz NKCWTMQFWDNCCI-UYAOXDASSA-N 2 0 342.527 3.429 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000370653636 457691566 /nfs/dbraw/zinc/69/15/66/457691566.db2.gz SZCVPKDBADPSGR-VQIMIIECSA-N 2 0 340.467 3.401 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)ccc1O ZINC000370653633 457692276 /nfs/dbraw/zinc/69/22/76/457692276.db2.gz SZCVPKDBADPSGR-APWZRJJASA-N 2 0 340.467 3.401 10 0 EGAERP Cc1cnc(CN2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)nc1 ZINC000433128894 457763216 /nfs/dbraw/zinc/76/32/16/457763216.db2.gz MNZQFXKRTBTEBC-UHFFFAOYSA-N 2 0 336.483 3.273 10 0 EGAERP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234273 457876835 /nfs/dbraw/zinc/87/68/35/457876835.db2.gz WWDDRZYNOLWIKP-TZIWHRDSSA-N 2 0 327.516 3.281 10 0 EGAERP CC(CC[NH+](C(C)C)[C@H]1CCOC1)CC[N@H+](C(C)C)[C@H]1CCOC1 ZINC000411747880 457969780 /nfs/dbraw/zinc/96/97/80/457969780.db2.gz QRYMONWQLGKXSM-PMACEKPBSA-N 2 0 340.552 3.401 10 0 EGAERP Cn1cncc1CN[C@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000361987153 457992705 /nfs/dbraw/zinc/99/27/05/457992705.db2.gz SILNPDBPCPIVDR-GOSISDBHSA-N 2 0 348.441 3.404 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@H]2CCC[C@H]21 ZINC000375836115 458086894 /nfs/dbraw/zinc/08/68/94/458086894.db2.gz BCLRLPAUIXREGX-GRYCIOLGSA-N 2 0 333.423 3.167 10 0 EGAERP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375844044 458092474 /nfs/dbraw/zinc/09/24/74/458092474.db2.gz ZJGCYJSHWTUFJI-GUDVDZBRSA-N 2 0 344.503 3.179 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000375860045 458099714 /nfs/dbraw/zinc/09/97/14/458099714.db2.gz GJBZOVVSBONVJN-KURKYZTESA-N 2 0 332.488 3.099 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000358648358 458127974 /nfs/dbraw/zinc/12/79/74/458127974.db2.gz IPQFADFJIMGNGF-UHFFFAOYSA-N 2 0 335.458 3.115 10 0 EGAERP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000436253522 458276374 /nfs/dbraw/zinc/27/63/74/458276374.db2.gz MZZWZMAZOMUJRO-YFVAEKQCSA-N 2 0 328.500 3.413 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C3)cc1 ZINC000423472011 458437107 /nfs/dbraw/zinc/43/71/07/458437107.db2.gz FSOIXWKZQIYCMK-BURNTYAHSA-N 3 0 327.516 3.304 10 0 EGAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423492340 458442555 /nfs/dbraw/zinc/44/25/55/458442555.db2.gz MQQKDDJYGBUNNP-OSAQELSMSA-N 2 0 339.277 3.380 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000423495671 458443833 /nfs/dbraw/zinc/44/38/33/458443833.db2.gz CKHKMIZAKXNOLW-LAUBAEHRSA-N 2 0 329.532 3.189 10 0 EGAERP CC1(C)[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@@H]1c1ccccc1 ZINC000423510533 458446825 /nfs/dbraw/zinc/44/68/25/458446825.db2.gz MNDDBVTWFRLMDV-TZWRJOPASA-N 2 0 341.543 3.375 10 0 EGAERP CC1(C)Cc2occc2[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423511154 458447272 /nfs/dbraw/zinc/44/72/72/458447272.db2.gz NLMAOBNMLKZHQD-HTWSVDAQSA-N 2 0 331.504 3.099 10 0 EGAERP Fc1ccc2c(c1)CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521103 458449681 /nfs/dbraw/zinc/44/96/81/458449681.db2.gz SDSOUVRXFAWPJL-QLOJAFMTSA-N 2 0 331.479 3.009 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[C@@H]4C[NH2+]C[C@@H]4C2)C3)cc1 ZINC000423557513 458456908 /nfs/dbraw/zinc/45/69/08/458456908.db2.gz ZWPMTHGSNVUKSS-BGJURXJTSA-N 3 0 339.527 3.160 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000431570132 458590528 /nfs/dbraw/zinc/59/05/28/458590528.db2.gz LQQXSFIDHWHSDM-UXHICEINSA-N 2 0 343.515 3.204 10 0 EGAERP CC[NH+](CC)Cc1ccc(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000431620554 458597426 /nfs/dbraw/zinc/59/74/26/458597426.db2.gz LEVALEHATWQARA-FQEVSTJZSA-N 2 0 345.531 3.409 10 0 EGAERP C[C@H]1CC2(C[N@@H+]1Cc1coc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424287659 458605510 /nfs/dbraw/zinc/60/55/10/458605510.db2.gz JLLKYKKPZFZITP-AWEZNQCLSA-N 2 0 329.419 3.445 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431749547 458616622 /nfs/dbraw/zinc/61/66/22/458616622.db2.gz LDGJAFHFFLSFKV-KZNAEPCWSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2Br)[C@@H](C)C1 ZINC000470176344 458621378 /nfs/dbraw/zinc/62/13/78/458621378.db2.gz WDCNNLRCVJOHGX-XJKSGUPXSA-N 2 0 325.294 3.312 10 0 EGAERP Cc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)o1 ZINC000431780460 458622356 /nfs/dbraw/zinc/62/23/56/458622356.db2.gz YUHPZGYEHXYVPM-MSOLQXFVSA-N 2 0 347.503 3.106 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000431896895 458643180 /nfs/dbraw/zinc/64/31/80/458643180.db2.gz VBOUZWLPPPAOHD-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP Brc1ccc2c(c1)CC[C@H](N[C@H]1CC[NH2+]C13CCC3)C2 ZINC000530176596 458707736 /nfs/dbraw/zinc/70/77/36/458707736.db2.gz CKFZNAJCANBMEP-HOTGVXAUSA-N 2 0 335.289 3.181 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000530231228 458724885 /nfs/dbraw/zinc/72/48/85/458724885.db2.gz GSGGPJDNHAPFHM-MDMXATFFSA-N 2 0 328.500 3.315 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000503927935 458730514 /nfs/dbraw/zinc/73/05/14/458730514.db2.gz KUMLEIYWLJBUSN-XLIONFOSSA-N 2 0 343.515 3.437 10 0 EGAERP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CCCO1 ZINC000432432837 458739421 /nfs/dbraw/zinc/73/94/21/458739421.db2.gz YUBBZDAVUIPPIA-SFHLNBCPSA-N 2 0 346.515 3.245 10 0 EGAERP CN1CC[C@H](Nc2cc(NC3CC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000556840004 459018718 /nfs/dbraw/zinc/01/87/18/459018718.db2.gz KDRGVMRFQYFIFG-MAUKXSAKSA-N 2 0 345.397 3.186 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H]2CCC[C@H]21 ZINC000556872416 459025413 /nfs/dbraw/zinc/02/54/13/459025413.db2.gz ZXPGEEOEUXFNAN-SLFFLAALSA-N 3 0 347.572 3.423 10 0 EGAERP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442869611 459048897 /nfs/dbraw/zinc/04/88/97/459048897.db2.gz DUMLDSXHNGCAGH-AWEZNQCLSA-N 2 0 343.968 3.338 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000594514738 459073010 /nfs/dbraw/zinc/07/30/10/459073010.db2.gz APDYTNOYIWDLKZ-IBGZPJMESA-N 2 0 335.407 3.288 10 0 EGAERP C[N@@H+]1CC[C@@H]2[C@@H](CCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000520597415 459076142 /nfs/dbraw/zinc/07/61/42/459076142.db2.gz LAAXPXAMXMTSBQ-WMLDXEAASA-N 2 0 328.485 3.121 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000594521333 459078581 /nfs/dbraw/zinc/07/85/81/459078581.db2.gz PEKQUPJNBVYPEV-HNAYVOBHSA-N 2 0 330.472 3.172 10 0 EGAERP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000540787548 459387641 /nfs/dbraw/zinc/38/76/41/459387641.db2.gz QXDKOPVXNZVMBE-UGNRZPKXSA-N 2 0 345.531 3.438 10 0 EGAERP CC(C)CCN(CCC(C)C)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000484925718 459436006 /nfs/dbraw/zinc/43/60/06/459436006.db2.gz OQRQNOCGTAZTKT-RTBURBONSA-N 2 0 339.568 3.322 10 0 EGAERP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC[C@H](C)[NH3+])ccc21 ZINC000582962317 459458737 /nfs/dbraw/zinc/45/87/37/459458737.db2.gz PZKNCDDCQXJZGN-HNNXBMFYSA-N 2 0 330.476 3.049 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000569928358 459533352 /nfs/dbraw/zinc/53/33/52/459533352.db2.gz MKJIQGMSCTZNPI-SFHVURJKSA-N 3 0 337.511 3.331 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000499153742 459623626 /nfs/dbraw/zinc/62/36/26/459623626.db2.gz SSMIYWRHJUMVTO-RMVXJAJNSA-N 2 0 325.500 3.008 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCC23CCCCC3)CC[NH2+]CC1 ZINC000596648914 459713792 /nfs/dbraw/zinc/71/37/92/459713792.db2.gz BECWSDMSRCBOEB-SJORKVTESA-N 2 0 336.520 3.400 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000596675058 459723294 /nfs/dbraw/zinc/72/32/94/459723294.db2.gz PCQXDMIGKSQKRT-OAHLLOKOSA-N 2 0 332.488 3.230 10 0 EGAERP c1ccc2c(c1)O[C@H](C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)CS2 ZINC000563157345 459726961 /nfs/dbraw/zinc/72/69/61/459726961.db2.gz BDRZYCDKIUBYAC-QGZVFWFLSA-N 2 0 341.480 3.193 10 0 EGAERP COc1ccc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc1OC(F)F ZINC000527810740 459746930 /nfs/dbraw/zinc/74/69/30/459746930.db2.gz VRNDXORGXDVFCW-OAHLLOKOSA-N 2 0 340.414 3.403 10 0 EGAERP COc1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc(Cl)c1OC ZINC000527811529 459746994 /nfs/dbraw/zinc/74/69/94/459746994.db2.gz XSNRGOYNAOMUFL-HNNXBMFYSA-N 2 0 338.879 3.464 10 0 EGAERP Cc1ncc(CN2Cc3ccccc3[C@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597173554 459861931 /nfs/dbraw/zinc/86/19/31/459861931.db2.gz JZFUICPCAQWOBX-GOSISDBHSA-N 2 0 341.455 3.170 10 0 EGAERP C[C@@H]1C[C@@H]([N@H+](C)CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000625222660 460078250 /nfs/dbraw/zinc/07/82/50/460078250.db2.gz OQWQOCFIGDVBPI-QUCCMNQESA-N 2 0 346.515 3.167 10 0 EGAERP Cc1cccc([C@@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)c1 ZINC000625983767 460326464 /nfs/dbraw/zinc/32/64/64/460326464.db2.gz AAABANZKPJBQLS-NRFANRHFSA-N 2 0 343.515 3.025 10 0 EGAERP COC(=O)Cc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000600188098 460429017 /nfs/dbraw/zinc/42/90/17/460429017.db2.gz UZEFCEGYWOYJQR-UHFFFAOYSA-N 2 0 344.499 3.289 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C1CC[NH+](C)CC1 ZINC000631699466 460520760 /nfs/dbraw/zinc/52/07/60/460520760.db2.gz JALDJGUFZIKNQA-ZUHTVMMCSA-N 2 0 349.316 3.407 10 0 EGAERP COc1ccc(C[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)cc1OC1CC1 ZINC000623403819 460530722 /nfs/dbraw/zinc/53/07/22/460530722.db2.gz IQVNUSINOCZPCO-KRWDZBQOSA-N 2 0 332.488 3.446 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629527170 460795818 /nfs/dbraw/zinc/79/58/18/460795818.db2.gz MICYMYCLORHBOM-YMQHIKHWSA-N 2 0 327.516 3.017 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000629529806 460798419 /nfs/dbraw/zinc/79/84/19/460798419.db2.gz NFQPFSKLSQCMEW-IBGZPJMESA-N 2 0 348.874 3.264 10 0 EGAERP Cc1nc(-c2ccccc2F)sc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629536158 460798761 /nfs/dbraw/zinc/79/87/61/460798761.db2.gz FXTYJUXPGBLZFP-GFCCVEGCSA-N 2 0 337.464 3.274 10 0 EGAERP Brc1cnccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000629547413 460803533 /nfs/dbraw/zinc/80/35/33/460803533.db2.gz SUJJLOBJBGVCLF-CQSZACIVSA-N 2 0 338.293 3.056 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCCO1 ZINC000623979639 460808503 /nfs/dbraw/zinc/80/85/03/460808503.db2.gz HVWDVSMYDYGTLO-OXQOHEQNSA-N 2 0 332.488 3.207 10 0 EGAERP c1ccc2c(c1)CC[C@@H]2CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591602 460818717 /nfs/dbraw/zinc/81/87/17/460818717.db2.gz KQBFSGJYKQCDGR-UXHICEINSA-N 2 0 328.500 3.197 10 0 EGAERP CC[C@H]1CCCC[C@@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000628279949 461070225 /nfs/dbraw/zinc/07/02/25/461070225.db2.gz IXEXQSQKUXMEID-JFROBXPVSA-N 2 0 333.564 3.446 10 0 EGAERP c1cc2c(cc1C[NH+]1CCC(CCC[NH+]3CCCC3)CC1)C[NH2+]CC2 ZINC000652341086 461140542 /nfs/dbraw/zinc/14/05/42/461140542.db2.gz AERRVKNKOQDIDE-UHFFFAOYSA-N 3 0 341.543 3.420 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662260139 461148211 /nfs/dbraw/zinc/14/82/11/461148211.db2.gz IJUNPEOEBBLZFP-RTBURBONSA-N 2 0 341.543 3.419 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2)C1 ZINC000662282576 461165786 /nfs/dbraw/zinc/16/57/86/461165786.db2.gz CPBYJPKELKHJKL-KBAYOESNSA-N 2 0 338.492 3.279 10 0 EGAERP CCOc1ccccc1OCC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662294029 461173416 /nfs/dbraw/zinc/17/34/16/461173416.db2.gz AFUUAVXPHKLAFU-SFHVURJKSA-N 2 0 332.488 3.176 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662350485 461205347 /nfs/dbraw/zinc/20/53/47/461205347.db2.gz CHVDWMVFWJJRDT-VQIMIIECSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662468 461256943 /nfs/dbraw/zinc/25/69/43/461256943.db2.gz FSNSDVKMAZDOGD-NRFANRHFSA-N 2 0 347.522 3.205 10 0 EGAERP COC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(C(F)(F)F)c1 ZINC000655806074 461466479 /nfs/dbraw/zinc/46/64/79/461466479.db2.gz OXWQOBKZQYJVOS-MAZHCROVSA-N 2 0 330.394 3.323 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnc(CCc3ccccc3)s2)C1 ZINC000655823873 461478365 /nfs/dbraw/zinc/47/83/65/461478365.db2.gz ATEQOWRELORVCS-CALCHBBNSA-N 2 0 329.513 3.358 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000660006474 461541960 /nfs/dbraw/zinc/54/19/60/461541960.db2.gz OIJSCXVYPYVNBN-RDJZCZTQSA-N 2 0 330.463 3.387 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000647249321 461588349 /nfs/dbraw/zinc/58/83/49/461588349.db2.gz RMFRXAUPYDPFPM-QZWWFDLISA-N 2 0 342.405 3.031 10 0 EGAERP COc1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)sn1 ZINC000660481583 461803678 /nfs/dbraw/zinc/80/36/78/461803678.db2.gz RQJBQVRYPXWIOG-ZDUSSCGKSA-N 2 0 332.473 3.064 10 0 EGAERP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783314 461892733 /nfs/dbraw/zinc/89/27/33/461892733.db2.gz OWTGGJUDKIQYEM-KRWDZBQOSA-N 2 0 342.462 3.223 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC[C@H]2CCCO2)cc1 ZINC000650718273 461909466 /nfs/dbraw/zinc/90/94/66/461909466.db2.gz FLIMMXDEMNYZGV-OAQYLSRUSA-N 2 0 340.467 3.254 10 0 EGAERP Fc1ccc2c(ccnc2N2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000664008640 461911678 /nfs/dbraw/zinc/91/16/78/461911678.db2.gz IQICYUMZZCVKEE-UHFFFAOYSA-N 2 0 329.419 3.065 10 0 EGAERP CC[C@@H]([NH2+]CCC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653875742 461912237 /nfs/dbraw/zinc/91/22/37/461912237.db2.gz ZBRZHGSZLHXOGE-SEXKYXSUSA-N 2 0 326.525 3.251 10 0 EGAERP Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c2ccccc2[nH+]1 ZINC000664012123 461913166 /nfs/dbraw/zinc/91/31/66/461913166.db2.gz VNNVJYYNODTJAA-UHFFFAOYSA-N 2 0 325.456 3.234 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1CCc2ccccc2N1 ZINC000650720225 461913302 /nfs/dbraw/zinc/91/33/02/461913302.db2.gz IXJKXGZRZIXGLJ-IBGZPJMESA-N 2 0 347.466 3.482 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000650744642 461929620 /nfs/dbraw/zinc/92/96/20/461929620.db2.gz SGRJDIRDNNBMLG-GFCCVEGCSA-N 2 0 333.867 3.009 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)OCCCO2 ZINC000650757817 461938661 /nfs/dbraw/zinc/93/86/61/461938661.db2.gz BIHOITGKUFBRTB-OAHLLOKOSA-N 2 0 326.440 3.418 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000644606616 462007846 /nfs/dbraw/zinc/00/78/46/462007846.db2.gz ZAWQIFAKXWREPC-ACBHZAAOSA-N 2 0 348.531 3.260 10 0 EGAERP COc1cc(F)cc(C[C@H](C)[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657486501 462152682 /nfs/dbraw/zinc/15/26/82/462152682.db2.gz CNPNZUVQQVANQV-AWEZNQCLSA-N 2 0 340.402 3.136 10 0 EGAERP Oc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1Cl ZINC000657538327 462172240 /nfs/dbraw/zinc/17/22/40/462172240.db2.gz ZCNJLMHNDWEUHD-UHFFFAOYSA-N 2 0 338.879 3.026 10 0 EGAERP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597009 462199112 /nfs/dbraw/zinc/19/91/12/462199112.db2.gz QPRIOYWCGMNBEV-XMSQKQJNSA-N 2 0 338.495 3.282 10 0 EGAERP c1cc(C[NH+]2CCC3(CC2)OCc2ccccc23)n(-c2cc[nH+]cc2)n1 ZINC000667677944 462208664 /nfs/dbraw/zinc/20/86/64/462208664.db2.gz HUVHHYRMZUGPRI-UHFFFAOYSA-N 2 0 346.434 3.289 10 0 EGAERP C[C@H](O)CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836139 462210773 /nfs/dbraw/zinc/21/07/73/462210773.db2.gz JJANIRXVGIFYKJ-FXAWDEMLSA-N 2 0 330.516 3.380 10 0 EGAERP Cc1cncc(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000657712625 462239211 /nfs/dbraw/zinc/23/92/11/462239211.db2.gz ZGVOMTFSAGQYDU-UHFFFAOYSA-N 2 0 326.488 3.075 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+]CC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771321 462259426 /nfs/dbraw/zinc/25/94/26/462259426.db2.gz BFTYTYOTIWLSDO-HXUWFJFHSA-N 2 0 326.484 3.225 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000657838552 462291041 /nfs/dbraw/zinc/29/10/41/462291041.db2.gz CNSHAXCWHSYXFE-BJLQDIEVSA-N 2 0 340.552 3.166 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(-c2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000651707030 462309772 /nfs/dbraw/zinc/30/97/72/462309772.db2.gz WKGLJYMCJAQKOI-ROUUACIJSA-N 2 0 338.499 3.035 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)(C)C(F)F ZINC000657969945 462332145 /nfs/dbraw/zinc/33/21/45/462332145.db2.gz WUKRRAHMMUXDDD-CJNGLKHVSA-N 2 0 326.431 3.023 10 0 EGAERP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068106 462365978 /nfs/dbraw/zinc/36/59/78/462365978.db2.gz UGUQAWWKWZREGO-KKSFZXQISA-N 2 0 328.500 3.401 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665269728 462378370 /nfs/dbraw/zinc/37/83/70/462378370.db2.gz LWNMIYOTPVZCAX-IPHXSNPTSA-N 2 0 336.483 3.151 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000665287781 462385477 /nfs/dbraw/zinc/38/54/77/462385477.db2.gz USKXAFGXJGKJBU-INIZCTEOSA-N 2 0 349.494 3.084 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cccc(C3CC3)c2)CC1 ZINC000665289320 462387112 /nfs/dbraw/zinc/38/71/12/462387112.db2.gz LJYJOOLSTYLDCM-INIZCTEOSA-N 2 0 343.515 3.205 10 0 EGAERP C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137434 462400222 /nfs/dbraw/zinc/40/02/22/462400222.db2.gz GRESMZXLXUMEIL-MAUKXSAKSA-N 2 0 330.497 3.036 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC[C@H]3C3CC3)cc2)C1 ZINC000658138909 462402265 /nfs/dbraw/zinc/40/22/65/462402265.db2.gz PAIOZKFJIODWAG-HKBOAZHASA-N 2 0 328.500 3.312 10 0 EGAERP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138884 462402566 /nfs/dbraw/zinc/40/25/66/462402566.db2.gz ORWCPFSGVFJXLW-PBHICJAKSA-N 2 0 344.421 3.464 10 0 EGAERP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139975 462403552 /nfs/dbraw/zinc/40/35/52/462403552.db2.gz PCBZNNXUXBPNHL-KNQAVFIVSA-N 2 0 336.479 3.339 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000658170608 462417923 /nfs/dbraw/zinc/41/79/23/462417923.db2.gz XMUYHDIMBLRMIL-DAWZGUTISA-N 2 0 338.442 3.443 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@H](C)C1 ZINC000658192166 462423962 /nfs/dbraw/zinc/42/39/62/462423962.db2.gz ZIHQUPZJOJRLKI-UKAVVXHISA-N 2 0 346.515 3.323 10 0 EGAERP CCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649305786 462474463 /nfs/dbraw/zinc/47/44/63/462474463.db2.gz ARUBBNMTQXTXGL-FUHWJXTLSA-N 2 0 331.504 3.188 10 0 EGAERP O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1CCc1ccccc1 ZINC000646073780 462509681 /nfs/dbraw/zinc/50/96/81/462509681.db2.gz IZENLCBFFFUVAW-NHCUHLMSSA-N 2 0 330.516 3.321 10 0 EGAERP Cc1c(C)c(C)c(C[NH+]2CCC([N@@H+]3CC[C@H](O)C3)CC2)c(C)c1C ZINC000662159397 462532961 /nfs/dbraw/zinc/53/29/61/462532961.db2.gz ZRFYEJRNMTYVGZ-FQEVSTJZSA-N 2 0 330.516 3.260 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000354585612 535353626 /nfs/dbraw/zinc/35/36/26/535353626.db2.gz QHHJRYVYTRIICH-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000090916635 546661138 /nfs/dbraw/zinc/66/11/38/546661138.db2.gz GAHADDNFFFISJB-GDIGMMSISA-N 2 0 335.923 3.405 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000155015546 546898287 /nfs/dbraw/zinc/89/82/87/546898287.db2.gz WPKCVEAYRZFCAK-KNQAVFIVSA-N 2 0 343.559 3.404 10 0 EGAERP CCC[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000162197272 546963858 /nfs/dbraw/zinc/96/38/58/546963858.db2.gz WYQKFBXGFQIBAA-ILWGZMRPSA-N 3 0 341.543 3.361 10 0 EGAERP C[C@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921548 549005446 /nfs/dbraw/zinc/00/54/46/549005446.db2.gz YRISKKWZEPEUFP-QFBILLFUSA-N 2 0 326.488 3.024 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000675928719 549006863 /nfs/dbraw/zinc/00/68/63/549006863.db2.gz VWPSFCDJZQUKAD-IRXDYDNUSA-N 2 0 327.472 3.476 10 0 EGAERP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@H]1CCCCO1 ZINC000678240998 549438241 /nfs/dbraw/zinc/43/82/41/549438241.db2.gz BQHFOJMGUGWXAC-HXUWFJFHSA-N 2 0 334.504 3.408 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000678350392 549473806 /nfs/dbraw/zinc/47/38/06/549473806.db2.gz VZKPNTKZFZBJKI-PKTZIBPZSA-N 2 0 349.522 3.467 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)[C@@H](C)C1 ZINC000678598982 549528334 /nfs/dbraw/zinc/52/83/34/549528334.db2.gz WDNHFXQILXFAIK-GBESFXJTSA-N 2 0 340.552 3.308 10 0 EGAERP Oc1cccc2c(N3CC[C@@H](OCC[NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000684578781 550345371 /nfs/dbraw/zinc/34/53/71/550345371.db2.gz ZMHDEYQECYYSST-MRXNPFEDSA-N 2 0 341.455 3.022 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000741781520 576720471 /nfs/dbraw/zinc/72/04/71/576720471.db2.gz CCNYHRSEBGYFFM-HXUWFJFHSA-N 2 0 343.515 3.154 10 0 EGAERP C[N@@H+](Cc1ccc(Br)c(F)c1F)CC1CC[NH2+]CC1 ZINC000701002552 1298184373 /nfs/dbraw/zinc/18/43/73/1298184373.db2.gz NTMGJWLTBXDRQX-UHFFFAOYSA-N 2 0 333.220 3.159 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131175429 1293682138 /nfs/dbraw/zinc/68/21/38/1293682138.db2.gz JZHWHJADJMHMPQ-RXVVDRJESA-N 2 0 329.532 3.359 10 0 EGAERP CO[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000237215181 1296227135 /nfs/dbraw/zinc/22/71/35/1296227135.db2.gz GRPBADICXWJSNB-LJQANCHMSA-N 2 0 334.504 3.312 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000872023396 1296666892 /nfs/dbraw/zinc/66/68/92/1296666892.db2.gz RMNLLNVSXYQLQW-OAHLLOKOSA-N 2 0 344.425 3.044 10 0 EGAERP Cc1ccc2c(ccc(C)c2C[N@@H+]2CCC[C@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000872145663 1296767389 /nfs/dbraw/zinc/76/73/89/1296767389.db2.gz VZTYXUKHJRPUES-IBGZPJMESA-N 2 0 349.482 3.344 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CCc1nc(-c2cccc(Cl)c2)no1 ZINC000872155578 1296774051 /nfs/dbraw/zinc/77/40/51/1296774051.db2.gz RAKYVHPXHBOMEZ-UHFFFAOYSA-N 2 0 336.867 3.383 10 0 EGAERP CC(C)(C)OC(=O)N[C@H]1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000305132662 1296983358 /nfs/dbraw/zinc/98/33/58/1296983358.db2.gz ISPHXDLIRMVBEL-HOTGVXAUSA-N 2 0 339.524 3.285 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310046868 1297084150 /nfs/dbraw/zinc/08/41/50/1297084150.db2.gz INAFJHJPBJSHHG-SJORKVTESA-N 2 0 341.540 3.486 10 0 EGAERP Nc1cccc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)n1 ZINC000311158056 1297106573 /nfs/dbraw/zinc/10/65/73/1297106573.db2.gz XRNIXSZSAUBNTE-UHFFFAOYSA-N 2 0 336.483 3.152 10 0 EGAERP OC1(C[NH+]2CC3(C2)CCCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000397538729 1297701775 /nfs/dbraw/zinc/70/17/75/1297701775.db2.gz KRQANVYXGGOOOK-UHFFFAOYSA-N 2 0 328.500 3.280 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910361 1298231812 /nfs/dbraw/zinc/23/18/12/1298231812.db2.gz OCQFHXBUVISNAG-BBWFWOEESA-N 2 0 339.524 3.096 10 0 EGAERP c1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC000712819866 1298267155 /nfs/dbraw/zinc/26/71/55/1298267155.db2.gz BIIDHBRZGFCSBH-HXUWFJFHSA-N 2 0 344.499 3.174 10 0 EGAERP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@H]3CCCC4(C3)OCCO4)C2)cc1 ZINC000712702259 1298267287 /nfs/dbraw/zinc/26/72/87/1298267287.db2.gz QBEBMXZLOCQALI-UXHICEINSA-N 2 0 344.499 3.174 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)CC1 ZINC000715226940 1298280013 /nfs/dbraw/zinc/28/00/13/1298280013.db2.gz HODNYTQYOQRCHI-UHFFFAOYSA-N 2 0 339.524 3.286 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000715277595 1298280762 /nfs/dbraw/zinc/28/07/62/1298280762.db2.gz NNRAVBPYHCEBOS-KLAILNCOSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000895646230 1309446873 /nfs/dbraw/zinc/44/68/73/1309446873.db2.gz FONNJGSLPLHUHP-NVXWUHKLSA-N 2 0 338.442 3.037 10 0 EGAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cscc1C(F)F ZINC000896623728 1309942888 /nfs/dbraw/zinc/94/28/88/1309942888.db2.gz NRFZMFIWTKPCLL-UHFFFAOYSA-N 2 0 347.475 3.031 10 0 EGAERP C[NH+](C)Cc1ccc(NC(=O)C[N@H+](C)C2CCC2)cc1C(F)(F)F ZINC000899671864 1317128599 /nfs/dbraw/zinc/12/85/99/1317128599.db2.gz GKLDQBUGDMLSBV-UHFFFAOYSA-N 2 0 343.393 3.190 10 0 EGAERP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858110064 1328684659 /nfs/dbraw/zinc/68/46/59/1328684659.db2.gz HWBFTUYFJFNWJQ-HOCLYGCPSA-N 2 0 331.460 3.167 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858119066 1328687533 /nfs/dbraw/zinc/68/75/33/1328687533.db2.gz LDJWMZHNRKXRNO-HOTGVXAUSA-N 2 0 339.524 3.096 10 0 EGAERP C[N@@H+]1CCC[C@@]2(CC[NH+](CCC3(C(=O)OC(C)(C)C)CCC3)C2)C1 ZINC000930575832 1328902420 /nfs/dbraw/zinc/90/24/20/1328902420.db2.gz FSNILJDSHGSKTE-LJQANCHMSA-N 2 0 336.520 3.306 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)C2)cc1 ZINC000921670522 1322375974 /nfs/dbraw/zinc/37/59/74/1322375974.db2.gz GNIWDMIWBBSLND-CLAROIROSA-N 2 0 342.527 3.346 10 0 EGAERP Cn1ccc(-c2nc(C[NH2+]CCCCC[NH+]3CCCCC3)cs2)n1 ZINC000921737611 1322387637 /nfs/dbraw/zinc/38/76/37/1322387637.db2.gz HOHGLIYJJNJOKK-UHFFFAOYSA-N 2 0 347.532 3.289 10 0 EGAERP Cc1cnc(Cl)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000921962524 1322430711 /nfs/dbraw/zinc/43/07/11/1322430711.db2.gz ZZONZSZJVXHEBG-UHFFFAOYSA-N 2 0 330.863 3.445 10 0 EGAERP CN1c2ccc(C[NH2+]C3CCC(C)([NH+]4CCC4)CC3)cc2CCC1=O ZINC000922845187 1322631581 /nfs/dbraw/zinc/63/15/81/1322631581.db2.gz MSZXRSAEXUNBGY-UHFFFAOYSA-N 2 0 341.499 3.092 10 0 EGAERP CC(F)(F)CCCN1CC[NH2+]CCN(CCCC(C)(F)F)CC1 ZINC000923394457 1322744929 /nfs/dbraw/zinc/74/49/29/1322744929.db2.gz JELHVLOTBWFZFC-UHFFFAOYSA-N 2 0 341.437 3.064 10 0 EGAERP C[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923494462 1322761898 /nfs/dbraw/zinc/76/18/98/1322761898.db2.gz XVNXFSJGLGXONW-NZUILWFCSA-N 2 0 342.405 3.085 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923494741 1322761983 /nfs/dbraw/zinc/76/19/83/1322761983.db2.gz NYBSHUVFLYBXHL-VQIMIIECSA-N 2 0 325.456 3.077 10 0 EGAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923500399 1322762625 /nfs/dbraw/zinc/76/26/25/1322762625.db2.gz PXSSPSRKNFMSGT-NVXWUHKLSA-N 2 0 325.456 3.085 10 0 EGAERP C[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1C[NH3+] ZINC000923500885 1322763737 /nfs/dbraw/zinc/76/37/37/1322763737.db2.gz PRFJUKKZWVZUOC-WMZOPIPTSA-N 2 0 334.467 3.418 10 0 EGAERP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923507238 1322765619 /nfs/dbraw/zinc/76/56/19/1322765619.db2.gz JHZDIHFGFVZWKR-IJLUTSLNSA-N 2 0 344.286 3.237 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000924671575 1323105997 /nfs/dbraw/zinc/10/59/97/1323105997.db2.gz BAWSPQPRAULNCR-LJQANCHMSA-N 2 0 332.488 3.160 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cnn(C2CCC2)c1 ZINC000924703911 1323123309 /nfs/dbraw/zinc/12/33/09/1323123309.db2.gz HXJUOYKBVJSUPR-MRXNPFEDSA-N 2 0 342.487 3.399 10 0 EGAERP Cc1nc2c(o1)CCC[C@H]2[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000924969627 1323232418 /nfs/dbraw/zinc/23/24/18/1323232418.db2.gz LIABVUVROZBLKZ-GOSISDBHSA-N 2 0 343.471 3.133 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](N[C@@H](C)c2cnn(C3CCC3)c2)[C@H](C)C1 ZINC000925077726 1323268556 /nfs/dbraw/zinc/26/85/56/1323268556.db2.gz HOTJNVFBZLMYKR-UWVAXJGDSA-N 2 0 348.535 3.396 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)cc[nH+]1 ZINC000925300571 1325117553 /nfs/dbraw/zinc/11/75/53/1325117553.db2.gz MVYBJFACPPFUPC-ICSRJNTNSA-N 2 0 329.488 3.093 10 0 EGAERP CC1(C)[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925476367 1325167587 /nfs/dbraw/zinc/16/75/87/1325167587.db2.gz AWWVODQXUJKDCS-AABGKKOBSA-N 2 0 345.506 3.156 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925487833 1325174321 /nfs/dbraw/zinc/17/43/21/1325174321.db2.gz XORGSFHPWJXGOC-MDUILUSMSA-N 2 0 349.469 3.157 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925495772 1325177975 /nfs/dbraw/zinc/17/79/75/1325177975.db2.gz NTSFBRYSIMUBGK-SFTDATJTSA-N 3 0 329.532 3.396 10 0 EGAERP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500494 1325179853 /nfs/dbraw/zinc/17/98/53/1325179853.db2.gz CYLQJWLIMOYAQM-LMMKCTJWSA-N 2 0 345.531 3.328 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C12CCC2 ZINC000925505558 1325182285 /nfs/dbraw/zinc/18/22/85/1325182285.db2.gz TUWNZERUYWTGHT-SJORKVTESA-N 2 0 334.891 3.248 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925550410 1325204022 /nfs/dbraw/zinc/20/40/22/1325204022.db2.gz MADDDZOGCAKGSY-BVGQSLNGSA-N 2 0 349.906 3.343 10 0 EGAERP [NH3+]CCC[C@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1 ZINC000925551163 1325204430 /nfs/dbraw/zinc/20/44/30/1325204430.db2.gz FKQYKTBKMXDHMU-WMZOPIPTSA-N 2 0 344.890 3.384 10 0 EGAERP COc1ccc(C2(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CCOCC2)cc1 ZINC000925561393 1325209532 /nfs/dbraw/zinc/20/95/32/1325209532.db2.gz BIEFLQQLQNGDCX-QZTJIDSGSA-N 2 0 346.515 3.239 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C12CCC2 ZINC000925584300 1325221231 /nfs/dbraw/zinc/22/12/31/1325221231.db2.gz KUXOBGBCSPZVOM-IAGOWNOFSA-N 2 0 334.891 3.248 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C[C@@H]([NH3+])C1 ZINC000925605290 1325229932 /nfs/dbraw/zinc/22/99/32/1325229932.db2.gz DYDPMIUHCBFMBL-MOPGFXCFSA-N 2 0 346.515 3.378 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C12CCC2 ZINC000925612061 1325231445 /nfs/dbraw/zinc/23/14/45/1325231445.db2.gz HQLBRQZRAPFVRY-WOJBJXKFSA-N 2 0 348.494 3.004 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000925621562 1325234956 /nfs/dbraw/zinc/23/49/56/1325234956.db2.gz ILZLZCSMCIMLMX-GSEOLPGOSA-N 3 0 327.516 3.147 10 0 EGAERP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000925627462 1325237624 /nfs/dbraw/zinc/23/76/24/1325237624.db2.gz ACRUSCVEXISMLC-BEFAXECRSA-N 2 0 332.488 3.147 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925630044 1325239913 /nfs/dbraw/zinc/23/99/13/1325239913.db2.gz PYDLWDZIQQCWCA-UAGQMJEPSA-N 2 0 334.504 3.378 10 0 EGAERP OC[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@@H]1c1ccc(F)cc1 ZINC000925651298 1325247565 /nfs/dbraw/zinc/24/75/65/1325247565.db2.gz ABSPPFRLVHKNJV-XRXFAXGQSA-N 2 0 346.490 3.050 10 0 EGAERP CC(C)n1ncc2c1C[C@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925658144 1325251224 /nfs/dbraw/zinc/25/12/24/1325251224.db2.gz NIOXZPJMRDHDDO-RTBURBONSA-N 2 0 326.488 3.391 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925674900 1325258129 /nfs/dbraw/zinc/25/81/29/1325258129.db2.gz FAGKBTZGOJPKJD-VVWQDTPRSA-N 2 0 331.479 3.018 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1CCc2c1cccc2Br ZINC000925781142 1325298425 /nfs/dbraw/zinc/29/84/25/1325298425.db2.gz HKXLFJDPCUHQAQ-QMTHXVAHSA-N 2 0 345.231 3.271 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925799232 1325305874 /nfs/dbraw/zinc/30/58/74/1325305874.db2.gz OMSSVVQJJBBWKS-JFIYKMOQSA-N 2 0 346.519 3.457 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925799233 1325306580 /nfs/dbraw/zinc/30/65/80/1325306580.db2.gz OMSSVVQJJBBWKS-SOLBZPMBSA-N 2 0 346.519 3.457 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925801126 1325307113 /nfs/dbraw/zinc/30/71/13/1325307113.db2.gz URZNUVPUSKYYKO-BFYDXBDKSA-N 2 0 332.492 3.113 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]CCC2(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000925804269 1325307653 /nfs/dbraw/zinc/30/76/53/1325307653.db2.gz FWEZTTMFMZAUMP-KRWDZBQOSA-N 2 0 344.499 3.019 10 0 EGAERP COc1ccc(Cl)cc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848290 1325328161 /nfs/dbraw/zinc/32/81/61/1325328161.db2.gz DVVZWEVOHUKFPQ-OAHLLOKOSA-N 2 0 339.911 3.075 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925853018 1325330425 /nfs/dbraw/zinc/33/04/25/1325330425.db2.gz JECPIFLWVDHAOF-MAUKXSAKSA-N 2 0 330.472 3.146 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925875304 1325338580 /nfs/dbraw/zinc/33/85/80/1325338580.db2.gz FYTQTRNVVSCYSC-UXLLHSPISA-N 2 0 332.492 3.338 10 0 EGAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874203 1325338971 /nfs/dbraw/zinc/33/89/71/1325338971.db2.gz PICZPNUFJZSLDI-CHWSQXEVSA-N 2 0 344.409 3.495 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879737 1325340878 /nfs/dbraw/zinc/34/08/78/1325340878.db2.gz JLJBOAVKJOCAKR-GYSYKLTISA-N 2 0 329.257 3.236 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000925880159 1325341063 /nfs/dbraw/zinc/34/10/63/1325341063.db2.gz PBJREIUKNQYNMU-RBZYPMLTSA-N 2 0 327.241 3.293 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887404 1325344763 /nfs/dbraw/zinc/34/47/63/1325344763.db2.gz CBEWNFNBDXCWHT-HWHRFOGPSA-N 2 0 349.522 3.156 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000926707942 1327676175 /nfs/dbraw/zinc/67/61/75/1327676175.db2.gz VVKIZRKJMSERJC-UYAOXDASSA-N 2 0 332.536 3.231 10 0 EGAERP C[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926748994 1327697294 /nfs/dbraw/zinc/69/72/94/1327697294.db2.gz WPMHUEBFMVDUEE-XJKSGUPXSA-N 2 0 340.393 3.399 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000927036363 1327827079 /nfs/dbraw/zinc/82/70/79/1327827079.db2.gz ANSPJUYAPJKXSD-XACOGGLUSA-N 2 0 334.529 3.482 10 0 EGAERP CCc1noc([C@H]2CC[C@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)n1 ZINC000927052008 1327831597 /nfs/dbraw/zinc/83/15/97/1327831597.db2.gz IPFUTBGNYAVMNV-RDJZCZTQSA-N 2 0 334.508 3.368 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)[C@@H](C)C1 ZINC000927129869 1327881693 /nfs/dbraw/zinc/88/16/93/1327881693.db2.gz QCHFESMQUAFLOW-FHWLQOOXSA-N 2 0 338.536 3.205 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCC3(CCC3)O2)[C@@H](C)C1 ZINC000927129871 1327882277 /nfs/dbraw/zinc/88/22/77/1327882277.db2.gz QCHFESMQUAFLOW-OTWHNJEPSA-N 2 0 338.536 3.205 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000863542833 1329562029 /nfs/dbraw/zinc/56/20/29/1329562029.db2.gz GZDAPGGOARZAQQ-FFZOFVMBSA-N 2 0 345.531 3.472 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(Cl)c(F)c2)cc1 ZINC000865417716 1329694403 /nfs/dbraw/zinc/69/44/03/1329694403.db2.gz UHZIHJCSMZNHFH-UHFFFAOYSA-N 2 0 337.826 3.104 10 0 EGAERP COC(OC)c1ccc(F)c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000865764801 1329736149 /nfs/dbraw/zinc/73/61/49/1329736149.db2.gz CESPFQVBYSWUBJ-UHFFFAOYSA-N 2 0 338.467 3.470 10 0 EGAERP Cc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c2cc(F)ccc2[nH+]1 ZINC000866258418 1330086281 /nfs/dbraw/zinc/08/62/81/1330086281.db2.gz VUVRVRIDWFUEGV-UHFFFAOYSA-N 2 0 343.446 3.231 10 0 EGAERP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562448 1330126830 /nfs/dbraw/zinc/12/68/30/1330126830.db2.gz SFMFJPVDXVRTTM-NHCUHLMSSA-N 2 0 349.563 3.017 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001322998756 1387263330 /nfs/dbraw/zinc/26/33/30/1387263330.db2.gz CSCQOHLUQIXRLU-XUVXKRRUSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001323158763 1387304099 /nfs/dbraw/zinc/30/40/99/1387304099.db2.gz IYYUNWBJECRLIP-HTJOGQSXSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001323163377 1387304702 /nfs/dbraw/zinc/30/47/02/1387304702.db2.gz TYNBTRKPBISBAY-KJYWSYJISA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001323162588 1387305225 /nfs/dbraw/zinc/30/52/25/1387305225.db2.gz RFNFUFJRLCMHPU-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642521 1387416045 /nfs/dbraw/zinc/41/60/45/1387416045.db2.gz NHBRJYJVVDTJMN-XHHZUUQWSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001323638648 1387414334 /nfs/dbraw/zinc/41/43/34/1387414334.db2.gz UBHZNGJYJKHOPM-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640086 1387415333 /nfs/dbraw/zinc/41/53/33/1387415333.db2.gz BSOKRJYFSXBQAO-PMACEKPBSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001323658097 1387417620 /nfs/dbraw/zinc/41/76/20/1387417620.db2.gz LYHPNWZAULJXRX-YQQQUEKLSA-N 2 0 345.531 3.083 10 0 EGAERP c1cc(C[NH+]2CCCC2)cc(-c2nc([C@@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001323914875 1387495361 /nfs/dbraw/zinc/49/53/61/1387495361.db2.gz LYFFMADUEIZCOB-GOSISDBHSA-N 2 0 338.455 3.142 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC001324452056 1387626135 /nfs/dbraw/zinc/62/61/35/1387626135.db2.gz SHLGJVUOCOICIA-FQEVSTJZSA-N 2 0 339.483 3.093 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324480719 1387636901 /nfs/dbraw/zinc/63/69/01/1387636901.db2.gz DEXKADYXWLMAPR-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCC2CCCC2)C2CCCC2)C1 ZINC001324511227 1387657333 /nfs/dbraw/zinc/65/73/33/1387657333.db2.gz ZDZVLVSKYXRHHM-AZUAARDMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001324550936 1387669477 /nfs/dbraw/zinc/66/94/77/1387669477.db2.gz YGOQHPLXQGEHTK-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001324787361 1387773181 /nfs/dbraw/zinc/77/31/81/1387773181.db2.gz DZETXXHLLSMVGS-ICSRJNTNSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001324869157 1387797657 /nfs/dbraw/zinc/79/76/57/1387797657.db2.gz OFQRYADEXLOPDB-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2(C)CC[NH+](CC3CCCC3)CC2)CC1 ZINC001324891724 1387807596 /nfs/dbraw/zinc/80/75/96/1387807596.db2.gz AMCLDVPJCXABOG-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001324897288 1387809577 /nfs/dbraw/zinc/80/95/77/1387809577.db2.gz JAXNFHYSIHGRHL-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958761 1387852259 /nfs/dbraw/zinc/85/22/59/1387852259.db2.gz WJCLATJUVWIJPB-OXQOHEQNSA-N 2 0 349.494 3.057 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001325364766 1387950230 /nfs/dbraw/zinc/95/02/30/1387950230.db2.gz ZHYNBLGGTZPZTI-AZUAARDMSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001325454731 1387977559 /nfs/dbraw/zinc/97/75/59/1387977559.db2.gz GVUIXANHLVQRDF-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP c1nc([C@@H]2CCCO2)sc1C[NH2+]CCCCNc1ccccn1 ZINC001200076356 1369312871 /nfs/dbraw/zinc/31/28/71/1369312871.db2.gz HVFADPITWQFYJH-HNNXBMFYSA-N 2 0 332.473 3.372 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001325656256 1388022921 /nfs/dbraw/zinc/02/29/21/1388022921.db2.gz MDBNDJNGVBHBER-NCXUSEDFSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001116501314 1370925262 /nfs/dbraw/zinc/92/52/62/1370925262.db2.gz VXMOFFPVKGDCDF-HXUWFJFHSA-N 2 0 343.515 3.014 10 0 EGAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001326335707 1388157373 /nfs/dbraw/zinc/15/73/73/1388157373.db2.gz WCESAGFXEVBIJK-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001123658348 1372544992 /nfs/dbraw/zinc/54/49/92/1372544992.db2.gz JLNIYNVLRRLGOG-DFQSSKMNSA-N 2 0 349.563 3.077 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCC2)CCC1)C12CCC[NH+](CCC1)C2 ZINC001326842661 1388327085 /nfs/dbraw/zinc/32/70/85/1388327085.db2.gz FPWCCXSHNBVVPL-UHFFFAOYSA-N 2 0 347.547 3.071 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2CCCCCC2)CCC1)[NH+]1CCCC1 ZINC001326864227 1388334062 /nfs/dbraw/zinc/33/40/62/1388334062.db2.gz KKVFUAOTCLPICU-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001327171356 1388420266 /nfs/dbraw/zinc/42/02/66/1388420266.db2.gz CZEUVDYNWHLYAU-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001327173786 1388423298 /nfs/dbraw/zinc/42/32/98/1388423298.db2.gz TZAIKUDYBGOLSD-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001265448338 1377153190 /nfs/dbraw/zinc/15/31/90/1377153190.db2.gz SNYGLRDDCKDHQH-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](CC1CCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266111280 1377189879 /nfs/dbraw/zinc/18/98/79/1377189879.db2.gz YZOMIYFAIJRHCG-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[N@H+](CC2CCCCCC2)C2CC2)CC1 ZINC001266157119 1377209569 /nfs/dbraw/zinc/20/95/69/1377209569.db2.gz XKHNRZPWRBTGAS-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](CC1=CCCCC1)C1CC1 ZINC001266174728 1377216718 /nfs/dbraw/zinc/21/67/18/1377216718.db2.gz SCIGESOIPYGVHM-ROUUACIJSA-N 2 0 347.547 3.330 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266222758 1377234655 /nfs/dbraw/zinc/23/46/55/1377234655.db2.gz FJXALHMNRNVVHS-SFHVURJKSA-N 2 0 335.536 3.166 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001266374204 1377298817 /nfs/dbraw/zinc/29/88/17/1377298817.db2.gz ULAZMXUMYQKIRS-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1CCC[C@@](CNC(=O)c2cccc(CC[NH+](C)C)c2)([NH+](C)C)C1 ZINC001136360842 1377382988 /nfs/dbraw/zinc/38/29/88/1377382988.db2.gz QWHQLEXNEZRDSE-LAUBAEHRSA-N 2 0 345.531 3.031 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CCCC1 ZINC001136797614 1377424733 /nfs/dbraw/zinc/42/47/33/1377424733.db2.gz OGTGQRULHDDARO-QZTJIDSGSA-N 2 0 345.531 3.354 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267912195 1377476870 /nfs/dbraw/zinc/47/68/70/1377476870.db2.gz GIQJYCZQTYVOCG-ARJAWSKDSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001267971316 1377481237 /nfs/dbraw/zinc/48/12/37/1377481237.db2.gz QZBKISIUBUYIMD-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001268156771 1377489222 /nfs/dbraw/zinc/48/92/22/1377489222.db2.gz QUQOFFXTULELJK-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001268271716 1377504948 /nfs/dbraw/zinc/50/49/48/1377504948.db2.gz SRCBAISGBWKSKT-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741794 1377523972 /nfs/dbraw/zinc/52/39/72/1377523972.db2.gz YLYJVHPSLWWAER-IAGOWNOFSA-N 2 0 331.504 3.059 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001270158330 1377596706 /nfs/dbraw/zinc/59/67/06/1377596706.db2.gz RHCOVORBKNHGBM-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001270411457 1377605913 /nfs/dbraw/zinc/60/59/13/1377605913.db2.gz BGDPUZNJDAVOLH-MJGOQNOKSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327455637 1388523692 /nfs/dbraw/zinc/52/36/92/1388523692.db2.gz PTKGFMLEJXOLRV-BQYQJAHWSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001327488474 1388532945 /nfs/dbraw/zinc/53/29/45/1388532945.db2.gz IVUXTXJJIKFEAD-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001327494146 1388535598 /nfs/dbraw/zinc/53/55/98/1388535598.db2.gz YTLNAWLSBKZURM-VOTSOKGWSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)CCC[N@H+](C)CCN(C(=O)[C@H]1CCn2ccnc2C1)C(C)C ZINC001278911762 1378290149 /nfs/dbraw/zinc/29/01/49/1378290149.db2.gz DOFBXEBBNQCSCJ-SFHVURJKSA-N 2 0 348.535 3.051 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001141746114 1378370425 /nfs/dbraw/zinc/37/04/25/1378370425.db2.gz JMIGCXUMODPQFQ-SFHVURJKSA-N 2 0 345.531 3.175 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH+]2CC[C@@H](F)C2)cc1 ZINC001141770349 1378374142 /nfs/dbraw/zinc/37/41/42/1378374142.db2.gz OJZYPVXLTZSBMC-SJLPKXTDSA-N 2 0 347.478 3.433 10 0 EGAERP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001281684227 1378449341 /nfs/dbraw/zinc/44/93/41/1378449341.db2.gz JOUNYCUIRUULOF-ICSRJNTNSA-N 2 0 345.531 3.196 10 0 EGAERP CCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001282800011 1378617373 /nfs/dbraw/zinc/61/73/73/1378617373.db2.gz HRRXBMBXDJVDRA-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001282967101 1378690748 /nfs/dbraw/zinc/69/07/48/1378690748.db2.gz JGRKVDDLIVLZFF-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283278479 1378782314 /nfs/dbraw/zinc/78/23/14/1378782314.db2.gz MQCREIKOOFHURN-AEFFLSMTSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C\CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283318014 1378802603 /nfs/dbraw/zinc/80/26/03/1378802603.db2.gz UNDMFVUEASIPRQ-WAYWQWQTSA-N 2 0 347.547 3.284 10 0 EGAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001283552464 1379013119 /nfs/dbraw/zinc/01/31/19/1379013119.db2.gz HCPNCJIWACGOTC-ICSRJNTNSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001283997746 1379351187 /nfs/dbraw/zinc/35/11/87/1379351187.db2.gz DCRIOOMTVFXBPU-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001284066230 1379421953 /nfs/dbraw/zinc/42/19/53/1379421953.db2.gz FUWDFMVCEZNRMS-FZUCFXCGSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1CCCCCC1)CC2 ZINC001284066149 1379422073 /nfs/dbraw/zinc/42/20/73/1379422073.db2.gz FFMJQZZNVZZPMV-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001284072114 1379435877 /nfs/dbraw/zinc/43/58/77/1379435877.db2.gz PVMHLYQDHBYUCL-LAUBAEHRSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1Cc1ccsc1 ZINC001284154784 1379550530 /nfs/dbraw/zinc/55/05/30/1379550530.db2.gz QQGJIHWBWSOQBQ-SJLPKXTDSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284196092 1379588972 /nfs/dbraw/zinc/58/89/72/1379588972.db2.gz LVJNUWBBMBZIEF-MOPGFXCFSA-N 2 0 349.563 3.482 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001284247111 1379630619 /nfs/dbraw/zinc/63/06/19/1379630619.db2.gz PVDUIBOTAVXEIT-MJGOQNOKSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001327902338 1388620003 /nfs/dbraw/zinc/62/00/03/1388620003.db2.gz LQZKEBZRDASSPM-IRXDYDNUSA-N 2 0 339.568 3.227 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001284693980 1380107201 /nfs/dbraw/zinc/10/72/01/1380107201.db2.gz LBSYCFUBDVHCJI-QGZVFWFLSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001284701735 1380116951 /nfs/dbraw/zinc/11/69/51/1380116951.db2.gz FBXDLQUOCXIYHK-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001284702877 1380118623 /nfs/dbraw/zinc/11/86/23/1380118623.db2.gz YTXZWQYKWXIFFF-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001328028137 1388648887 /nfs/dbraw/zinc/64/88/87/1388648887.db2.gz BAQQRYPJAXSJEY-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP CN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C(C)(C)C[NH+]1CCCCCC1 ZINC001154825620 1380359171 /nfs/dbraw/zinc/35/91/71/1380359171.db2.gz VDKLWETYNTWQID-MSOLQXFVSA-N 2 0 335.536 3.116 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001155677166 1380481409 /nfs/dbraw/zinc/48/14/09/1380481409.db2.gz NNPWUIMFBHDFPD-BOHSKOPMSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001328084417 1388666855 /nfs/dbraw/zinc/66/68/55/1388666855.db2.gz YIIUKYQAVRTKIY-ZPUOCTKUSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC1(C)C ZINC001328097496 1388669550 /nfs/dbraw/zinc/66/95/50/1388669550.db2.gz FXJPAJAVGLJMAI-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](C(C)C)CC1(C)C)c1ccccc1 ZINC001328099360 1388671678 /nfs/dbraw/zinc/67/16/78/1388671678.db2.gz UMGDQMBWQJIKHZ-RTBURBONSA-N 2 0 345.531 3.305 10 0 EGAERP C[C@@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001328413298 1388739860 /nfs/dbraw/zinc/73/98/60/1388739860.db2.gz CZGNBLRUYGGWQA-KRWDZBQOSA-N 2 0 335.536 3.093 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001328753466 1388845250 /nfs/dbraw/zinc/84/52/50/1388845250.db2.gz RTMQRGYGVPJYBQ-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001328812038 1388878294 /nfs/dbraw/zinc/87/82/94/1388878294.db2.gz HXYZVGCTZLEIDE-RRFGBZISSA-N 2 0 349.563 3.245 10 0 EGAERP CSc1ccc(OCC[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC001308039571 1384079457 /nfs/dbraw/zinc/07/94/57/1384079457.db2.gz GJSFBWPQIIEHQI-INIZCTEOSA-N 2 0 343.496 3.393 10 0 EGAERP CO[C@@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC001308087588 1384088673 /nfs/dbraw/zinc/08/86/73/1384088673.db2.gz ZCQHFOQMSRASMG-HKBOAZHASA-N 2 0 328.500 3.255 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001316607609 1384476544 /nfs/dbraw/zinc/47/65/44/1384476544.db2.gz UAWOXZBCRRSQTO-LJQANCHMSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316678912 1384520223 /nfs/dbraw/zinc/52/02/23/1384520223.db2.gz MJXJDUSUCOBHSM-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001316702989 1384529946 /nfs/dbraw/zinc/52/99/46/1384529946.db2.gz AZCOXLUEUZWABJ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001316706016 1384531569 /nfs/dbraw/zinc/53/15/69/1384531569.db2.gz NNQCVVHUOVCSSG-HOJAQTOUSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCCCF)C1)[NH+](C)C ZINC001316773029 1384571658 /nfs/dbraw/zinc/57/16/58/1384571658.db2.gz RTSNAGOMQWIOSN-MSOLQXFVSA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1)C1CCC1 ZINC001316802229 1384590147 /nfs/dbraw/zinc/59/01/47/1384590147.db2.gz IQEQFZYHUZTEDV-FQEVSTJZSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CCC2CCCC2)C1 ZINC001316804585 1384594967 /nfs/dbraw/zinc/59/49/67/1384594967.db2.gz RQGNHRZSWXLNIE-QUCCMNQESA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[NH+]1CCCCC1 ZINC001171861495 1384663599 /nfs/dbraw/zinc/66/35/99/1384663599.db2.gz ODFMRGOACYLRKM-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1cc(C[NH+](CCCNC(=O)[C@@H]2CCCC[N@H+]2C)C2CC2)cs1 ZINC001316917514 1384687694 /nfs/dbraw/zinc/68/76/94/1384687694.db2.gz DLDHJCSXMJGDTE-SFHVURJKSA-N 2 0 349.544 3.012 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001316998357 1384755779 /nfs/dbraw/zinc/75/57/79/1384755779.db2.gz MQYRASXQRDRLMH-RTBURBONSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001317049996 1384826447 /nfs/dbraw/zinc/82/64/47/1384826447.db2.gz PFMOHTYFVALUAN-CADBVGFASA-N 2 0 335.536 3.115 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001317126867 1384885043 /nfs/dbraw/zinc/88/50/43/1384885043.db2.gz YVWXTPABHRYESO-BGYRXZFFSA-N 2 0 347.547 3.380 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317135700 1384898976 /nfs/dbraw/zinc/89/89/76/1384898976.db2.gz QBJYMPRUPROJFF-FHWLQOOXSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317150621 1384917072 /nfs/dbraw/zinc/91/70/72/1384917072.db2.gz DFVQPKDSTRVRRV-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001317157504 1384921418 /nfs/dbraw/zinc/92/14/18/1384921418.db2.gz JFFHSBYBGCIOGQ-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001317190401 1384964547 /nfs/dbraw/zinc/96/45/47/1384964547.db2.gz UBGMBNNGDRVIRG-MNVMYWNISA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H]1CCCCN1C(=O)CCCC[NH+](C)C ZINC001317197334 1384971453 /nfs/dbraw/zinc/97/14/53/1384971453.db2.gz SFDJNUKWUMJJQD-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001317201040 1384977106 /nfs/dbraw/zinc/97/71/06/1384977106.db2.gz YPNSGYUQMUILLM-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317202594 1384980223 /nfs/dbraw/zinc/98/02/23/1384980223.db2.gz GKFZKKDUIGUYEV-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+]1CCC(CC(=O)NC2CCC([NH2+]CCCC3CCC3)CC2)CC1 ZINC001317226940 1385006163 /nfs/dbraw/zinc/00/61/63/1385006163.db2.gz QNJCQHQLLHNVSD-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CCC(C)(C)C ZINC001317258800 1385028449 /nfs/dbraw/zinc/02/84/49/1385028449.db2.gz VHFABDOTBFBVIO-MRXNPFEDSA-N 2 0 325.541 3.029 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001317271478 1385042107 /nfs/dbraw/zinc/04/21/07/1385042107.db2.gz NKPDIZZGINWCJH-ZWKOTPCHSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001317294276 1385066280 /nfs/dbraw/zinc/06/62/80/1385066280.db2.gz KEGBICWHPDEGAH-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001317294274 1385066683 /nfs/dbraw/zinc/06/66/83/1385066683.db2.gz KEGBICWHPDEGAH-ICSRJNTNSA-N 2 0 345.531 3.100 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317351001 1385100205 /nfs/dbraw/zinc/10/02/05/1385100205.db2.gz NRQGDIGIZSFKBD-IBQUMJASSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC(C)(C)CC1 ZINC001317392595 1385111492 /nfs/dbraw/zinc/11/14/92/1385111492.db2.gz BOKJPMDAFSTKCS-VQIMIIECSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317424104 1385130710 /nfs/dbraw/zinc/13/07/10/1385130710.db2.gz QNXURXMABBPHEP-MOPGFXCFSA-N 2 0 337.552 3.266 10 0 EGAERP O=C(NCCC[C@H]1CCC[N@@H+]1CCC1CC1)C12CCC[NH+](CCC1)C2 ZINC001317425190 1385131274 /nfs/dbraw/zinc/13/12/74/1385131274.db2.gz XAJFQZLVBOHCSC-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317503745 1385207830 /nfs/dbraw/zinc/20/78/30/1385207830.db2.gz ATQHUWKPMGMOHQ-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001329107577 1388972355 /nfs/dbraw/zinc/97/23/55/1388972355.db2.gz XHGKXXNAZKDYKH-DLBZAZTESA-N 2 0 345.531 3.106 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317530725 1385254781 /nfs/dbraw/zinc/25/47/81/1385254781.db2.gz ZAKGICFCFBWOEE-SBUVDCAVSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001317530728 1385255692 /nfs/dbraw/zinc/25/56/92/1385255692.db2.gz ZBKDNOSDQSSSTD-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@H]1COc2ccccc2O1 ZINC001175601903 1385346009 /nfs/dbraw/zinc/34/60/09/1385346009.db2.gz XYEDVFLRRFEFQZ-SFHVURJKSA-N 2 0 332.488 3.126 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001317746407 1385434078 /nfs/dbraw/zinc/43/40/78/1385434078.db2.gz HKPKKQJCMGSRKS-HDICACEKSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317770660 1385461535 /nfs/dbraw/zinc/46/15/35/1385461535.db2.gz UECNJYAHDDMYMJ-PKOBYXMFSA-N 2 0 349.563 3.077 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317797297 1385491514 /nfs/dbraw/zinc/49/15/14/1385491514.db2.gz MSGKBZYLLMCDNP-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317810158 1385508455 /nfs/dbraw/zinc/50/84/55/1385508455.db2.gz YONOQZKCGYIUGI-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH+](C)CC1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001317876130 1385554810 /nfs/dbraw/zinc/55/48/10/1385554810.db2.gz CBLIVGNWBFSXET-HXUWFJFHSA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001318412807 1385679207 /nfs/dbraw/zinc/67/92/07/1385679207.db2.gz KNDQLJRMSSLDNQ-KAGICYHLSA-N 2 0 335.536 3.140 10 0 EGAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001318492499 1385721904 /nfs/dbraw/zinc/72/19/04/1385721904.db2.gz QPFRTGCOVFSAHD-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CO[C@@H]1CC[C@@H]1[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176914895 1385741844 /nfs/dbraw/zinc/74/18/44/1385741844.db2.gz FOTQAUFKUBWGRX-LEWJYISDSA-N 2 0 330.516 3.440 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cccc(C)c1 ZINC001318541419 1385745076 /nfs/dbraw/zinc/74/50/76/1385745076.db2.gz MZDSDBZQPFXPHH-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318563031 1385759317 /nfs/dbraw/zinc/75/93/17/1385759317.db2.gz UHOQJULIIPOYOO-ZWKOTPCHSA-N 2 0 345.531 3.191 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)C1 ZINC001318928636 1385884708 /nfs/dbraw/zinc/88/47/08/1385884708.db2.gz KLMNKISMDDUHLC-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001318959015 1385897987 /nfs/dbraw/zinc/89/79/87/1385897987.db2.gz KPCYPRHMQXDRKI-FHWLQOOXSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001318978805 1385907047 /nfs/dbraw/zinc/90/70/47/1385907047.db2.gz IXOYZJMTFUIRDI-QAQDUYKDSA-N 2 0 325.541 3.172 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001319040082 1385942123 /nfs/dbraw/zinc/94/21/23/1385942123.db2.gz VKKACQZZFCYICG-PLNGDYQASA-N 2 0 347.547 3.047 10 0 EGAERP c1c(C[NH2+]CCCCC[NH+]2CCCCC2)nnn1-c1ccccc1 ZINC001177679636 1386021447 /nfs/dbraw/zinc/02/14/47/1386021447.db2.gz XLXXGXQEAZDGOI-UHFFFAOYSA-N 2 0 327.476 3.013 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001319285038 1386042818 /nfs/dbraw/zinc/04/28/18/1386042818.db2.gz JDXRSGRDNDZIIC-HUUCEWRRSA-N 2 0 339.911 3.083 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCC3CCCC3)CCCC2)CC[N@@H+]1C ZINC001319372953 1386087248 /nfs/dbraw/zinc/08/72/48/1386087248.db2.gz SJBATYKLAPNLNN-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001319390265 1386100420 /nfs/dbraw/zinc/10/04/20/1386100420.db2.gz YVISZRBPZHPAED-FBLDJFESSA-N 2 0 335.536 3.234 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001319390266 1386100560 /nfs/dbraw/zinc/10/05/60/1386100560.db2.gz YVISZRBPZHPAED-OSFIAYCASA-N 2 0 335.536 3.234 10 0 EGAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001319405499 1386106768 /nfs/dbraw/zinc/10/67/68/1386106768.db2.gz OXLOPVNGKHEFJX-JBVUFVISSA-N 2 0 349.563 3.388 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CCC3CCCCCC3)C2)CC1 ZINC001319405713 1386106832 /nfs/dbraw/zinc/10/68/32/1386106832.db2.gz YDTJLMCTCIYZPS-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001319644371 1386228393 /nfs/dbraw/zinc/22/83/93/1386228393.db2.gz ZBCVCLPDJPQAPT-ZWKOTPCHSA-N 2 0 325.541 3.026 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319752620 1386281323 /nfs/dbraw/zinc/28/13/23/1386281323.db2.gz VHTFJWMZIYZQKU-CEXWTWQISA-N 2 0 337.552 3.268 10 0 EGAERP CC1CC(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001319789809 1386297309 /nfs/dbraw/zinc/29/73/09/1386297309.db2.gz DHOFUQLNKJHJEP-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319805592 1386305087 /nfs/dbraw/zinc/30/50/87/1386305087.db2.gz IGEXUZIPGQEBNY-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC(CC[NH+](C)CC3CCC3)CC2)CC[N@@H+]1C ZINC001319886701 1386362535 /nfs/dbraw/zinc/36/25/35/1386362535.db2.gz ZUGHQRAUWBVISC-PXNSSMCTSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCC2=CCCCC2)C(C)C)CC[N@@H+]1C ZINC001319914404 1386387320 /nfs/dbraw/zinc/38/73/20/1386387320.db2.gz CYKFGPNCQVKRKO-SLFFLAALSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948588 1386412073 /nfs/dbraw/zinc/41/20/73/1386412073.db2.gz YGDFYKISAVFFMN-ZWKOTPCHSA-N 2 0 339.568 3.416 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]Cc1cccc2ccccc21 ZINC001320643455 1386676881 /nfs/dbraw/zinc/67/68/81/1386676881.db2.gz DWBPNKODKDBTEI-KRWDZBQOSA-N 2 0 341.499 3.164 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001320646395 1386677969 /nfs/dbraw/zinc/67/79/69/1386677969.db2.gz XDGGDVYOWVMJBC-ICSRJNTNSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001320901913 1386753184 /nfs/dbraw/zinc/75/31/84/1386753184.db2.gz QXRYQTMLYYXRGD-LJQANCHMSA-N 2 0 347.547 3.262 10 0 EGAERP CCC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667201 1406317742 /nfs/dbraw/zinc/31/77/42/1406317742.db2.gz DPGCJBCBTUKUCN-DSQZMVHQSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1 ZINC001321134356 1386818720 /nfs/dbraw/zinc/81/87/20/1386818720.db2.gz CJDCFRCTIISWTI-PORCLINASA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001698675461 1406323740 /nfs/dbraw/zinc/32/37/40/1406323740.db2.gz WUSXIFJHXYGMBP-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001698677540 1406325727 /nfs/dbraw/zinc/32/57/27/1406325727.db2.gz WVQIJAOFYWKGIB-LLHWWHOWSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1cc2ccccc2s1 ZINC001321418809 1386899264 /nfs/dbraw/zinc/89/92/64/1386899264.db2.gz JNCLPDJVOICFAJ-SREVYHEPSA-N 2 0 345.512 3.004 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1)[NH+](C)C ZINC001698681372 1406329299 /nfs/dbraw/zinc/32/92/99/1406329299.db2.gz BVYZAOGYNQOVJE-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)CC[NH+](C)C ZINC001321641382 1386947214 /nfs/dbraw/zinc/94/72/14/1386947214.db2.gz NDIXASLWFOUEPU-CVEARBPZSA-N 2 0 333.520 3.091 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC001322086611 1387049246 /nfs/dbraw/zinc/04/92/46/1387049246.db2.gz AVFFIQGSQJTSHO-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC001322086603 1387049349 /nfs/dbraw/zinc/04/93/49/1387049349.db2.gz AVFFIQGSQJTSHO-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001698693314 1406337576 /nfs/dbraw/zinc/33/75/76/1406337576.db2.gz BQONYUVFRCIYFU-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCC1 ZINC001322193152 1387095096 /nfs/dbraw/zinc/09/50/96/1387095096.db2.gz JOJVHIUIJLEIIQ-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001322219048 1387107527 /nfs/dbraw/zinc/10/75/27/1387107527.db2.gz QWCPOJZPROMNFZ-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1 ZINC001698710690 1406352233 /nfs/dbraw/zinc/35/22/33/1406352233.db2.gz DTTMTIFTFRYANL-WGSAOQKQSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001329316730 1389059523 /nfs/dbraw/zinc/05/95/23/1389059523.db2.gz POZLEHOMVLQIDD-OAQYLSRUSA-N 2 0 343.515 3.120 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001329459292 1389117048 /nfs/dbraw/zinc/11/70/48/1389117048.db2.gz ICVHGWFJVZMXPH-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001329741779 1389215216 /nfs/dbraw/zinc/21/52/16/1389215216.db2.gz JUJDLOHYXNFLTM-KRWDZBQOSA-N 2 0 325.541 3.122 10 0 EGAERP CCc1ccc(C[N@@H+]2CCCCC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001329935768 1389264607 /nfs/dbraw/zinc/26/46/07/1389264607.db2.gz DNJMXWURNPVCNY-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001329937656 1389265893 /nfs/dbraw/zinc/26/58/93/1389265893.db2.gz NNOZCVZVGDTEAH-ASIGSXEYSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC001329952990 1389271723 /nfs/dbraw/zinc/27/17/23/1389271723.db2.gz NQGFMUCPVAHGPS-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP c1oc(-c2ccccc2)nc1CN1CCC(Nc2cc[nH+]cc2)CC1 ZINC001337710346 1389424237 /nfs/dbraw/zinc/42/42/37/1389424237.db2.gz WOGCWFBGIKENAQ-UHFFFAOYSA-N 2 0 334.423 3.235 10 0 EGAERP CCC[N@H+](C)CC(=O)NCCC1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001698726518 1406377167 /nfs/dbraw/zinc/37/71/67/1406377167.db2.gz UOSWBFQTZDBISG-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)CC)C[C@@]2(C)C1 ZINC001330536588 1389448085 /nfs/dbraw/zinc/44/80/85/1389448085.db2.gz BQJUBNVENPOJPZ-BGYRXZFFSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001330709900 1389506380 /nfs/dbraw/zinc/50/63/80/1389506380.db2.gz ZAFZDWYMHSSYGX-VAMGGRTRSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001331073924 1389619764 /nfs/dbraw/zinc/61/97/64/1389619764.db2.gz FAIDYOKYHMRAAH-HCZHMGAMSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2cccc(F)c2)CC1 ZINC001331075261 1389621947 /nfs/dbraw/zinc/62/19/47/1389621947.db2.gz UATWENYABVGYPV-MRXNPFEDSA-N 2 0 349.494 3.150 10 0 EGAERP CC1CC[NH+](CC(=O)N(C)[C@H](C[NH2+]CCC2CCCC2)C2CC2)CC1 ZINC001331340422 1389709498 /nfs/dbraw/zinc/70/94/98/1389709498.db2.gz SGOXALKWIZAQBW-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001331457929 1389756575 /nfs/dbraw/zinc/75/65/75/1389756575.db2.gz IGMQSWMIFDZYNL-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001331470002 1389760873 /nfs/dbraw/zinc/76/08/73/1389760873.db2.gz MALOWOHTWAPDTB-KRWDZBQOSA-N 2 0 345.531 3.231 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001331820258 1389879346 /nfs/dbraw/zinc/87/93/46/1389879346.db2.gz GSFJKRUYPRKODQ-KPOBHBOGSA-N 2 0 342.462 3.084 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCCCF)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001332031318 1389952598 /nfs/dbraw/zinc/95/25/98/1389952598.db2.gz KOLKOWUWCQCUKY-QFBILLFUSA-N 2 0 349.494 3.081 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCCCC1)CC2 ZINC001332109289 1389988414 /nfs/dbraw/zinc/98/84/14/1389988414.db2.gz FSUUIHYJUUXBCA-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001332263953 1390068946 /nfs/dbraw/zinc/06/89/46/1390068946.db2.gz WAJXPZUVFKZQDL-MSOLQXFVSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339615 1390091110 /nfs/dbraw/zinc/09/11/10/1390091110.db2.gz GQVKJWQWDIRTRZ-RTBURBONSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c1 ZINC001332414378 1390110972 /nfs/dbraw/zinc/11/09/72/1390110972.db2.gz XAEQSVWWCYMNMZ-PKOBYXMFSA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826512 1390195471 /nfs/dbraw/zinc/19/54/71/1390195471.db2.gz QCYLSRBYUFBLDM-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001333005908 1390235497 /nfs/dbraw/zinc/23/54/97/1390235497.db2.gz YCOIRINBVADEJH-FXAWDEMLSA-N 2 0 345.531 3.305 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001333005398 1390235677 /nfs/dbraw/zinc/23/56/77/1390235677.db2.gz UMLMURJMELSORT-SFHVURJKSA-N 2 0 345.531 3.054 10 0 EGAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001333076446 1390245787 /nfs/dbraw/zinc/24/57/87/1390245787.db2.gz YKKWAKHQTAIZEN-VOTSOKGWSA-N 2 0 349.544 3.359 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333182359 1390263306 /nfs/dbraw/zinc/26/33/06/1390263306.db2.gz YZMQYZBVVSAMFK-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001333433348 1390303552 /nfs/dbraw/zinc/30/35/52/1390303552.db2.gz NTCXQIDBFBKPQH-SFHVURJKSA-N 2 0 343.515 3.228 10 0 EGAERP Cc1cccc(NC[C@H]2CCC[N@H+]2Cc2c(C3CCC3)cnn2C)n1 ZINC001333924765 1390440683 /nfs/dbraw/zinc/44/06/83/1390440683.db2.gz ULJODVIQIRULST-QGZVFWFLSA-N 2 0 339.487 3.468 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]Cc2ccccc2)CCCC1)[NH+]1CCCC1 ZINC001698800103 1406474037 /nfs/dbraw/zinc/47/40/37/1406474037.db2.gz OVUXIXHPGGOLAY-UHFFFAOYSA-N 2 0 343.515 3.080 10 0 EGAERP CC(C)c1ccc(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)cc1 ZINC001698801607 1406478390 /nfs/dbraw/zinc/47/83/90/1406478390.db2.gz VUXQOCHLANODOC-UHFFFAOYSA-N 2 0 345.531 3.280 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698826502 1406519649 /nfs/dbraw/zinc/51/96/49/1406519649.db2.gz ZYSIADHTUKWZLE-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001479338610 1392219389 /nfs/dbraw/zinc/21/93/89/1392219389.db2.gz YHUCTRHUPDPENR-YSTOQKLRSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001479565823 1392277392 /nfs/dbraw/zinc/27/73/92/1392277392.db2.gz VPKBPJSYNNEZRM-ZOYAEOFMSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001479589108 1392282313 /nfs/dbraw/zinc/28/23/13/1392282313.db2.gz MCPDFJUQQMKYRJ-SJORKVTESA-N 2 0 349.519 3.362 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001479693976 1392324747 /nfs/dbraw/zinc/32/47/47/1392324747.db2.gz JHAJIKUXOKGWOL-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001479708385 1392332092 /nfs/dbraw/zinc/33/20/92/1392332092.db2.gz LNADAXVKIMOFRP-RLLQIKCJSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001479709864 1392332108 /nfs/dbraw/zinc/33/21/08/1392332108.db2.gz BRPBGRNJJVWIBL-FGTMMUONSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001479729378 1392341693 /nfs/dbraw/zinc/34/16/93/1392341693.db2.gz UMEYTHUZDGHDFF-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001479739859 1392353985 /nfs/dbraw/zinc/35/39/85/1392353985.db2.gz OPMXZWIGGYWIAA-OALUTQOASA-N 2 0 339.568 3.322 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479747248 1392364244 /nfs/dbraw/zinc/36/42/44/1392364244.db2.gz YUGLAZIIFRFLJZ-XXCOWLKOSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479823628 1392413116 /nfs/dbraw/zinc/41/31/16/1392413116.db2.gz KRLMTFZDBVHFIL-IBMJZYDUSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479830299 1392417128 /nfs/dbraw/zinc/41/71/28/1392417128.db2.gz PSGYAPVEXPLLPB-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CCC1CCCCC1 ZINC001479846730 1392428776 /nfs/dbraw/zinc/42/87/76/1392428776.db2.gz ADQUNSNZSPDZTO-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1ccc(F)cc1 ZINC001479853344 1392433546 /nfs/dbraw/zinc/43/35/46/1392433546.db2.gz KQHGMDDJJMDHRJ-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479896572 1392465184 /nfs/dbraw/zinc/46/51/84/1392465184.db2.gz YABQMKHVHCUUGE-ROUKRRSUSA-N 2 0 349.563 3.386 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479911087 1392478569 /nfs/dbraw/zinc/47/85/69/1392478569.db2.gz CXQVDORUUABAFF-SFFCAUCYSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001698859505 1406569297 /nfs/dbraw/zinc/56/92/97/1406569297.db2.gz CKWGLJBIYWGKGR-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001479986446 1392518690 /nfs/dbraw/zinc/51/86/90/1392518690.db2.gz KFDVZFSRNYMGQI-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001479987130 1392519067 /nfs/dbraw/zinc/51/90/67/1392519067.db2.gz CLNKRVZWDBTSOR-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480084403 1392574051 /nfs/dbraw/zinc/57/40/51/1392574051.db2.gz IXCMEAXABXTTPC-UXHICEINSA-N 2 0 349.563 3.388 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001480086444 1392575541 /nfs/dbraw/zinc/57/55/41/1392575541.db2.gz XXXLNEKITNFFFB-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480088826 1392578822 /nfs/dbraw/zinc/57/88/22/1392578822.db2.gz MKPBDOWXNIRQDL-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001480265550 1392650132 /nfs/dbraw/zinc/65/01/32/1392650132.db2.gz PDFIJTPJZRKUME-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480290553 1392661984 /nfs/dbraw/zinc/66/19/84/1392661984.db2.gz PQXKMNDJNRZUIH-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001480402981 1392741503 /nfs/dbraw/zinc/74/15/03/1392741503.db2.gz KPCYPRHMQXDRKI-ACBHZAAOSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001480411931 1392747597 /nfs/dbraw/zinc/74/75/97/1392747597.db2.gz WZFRUYFOFOQIMS-UHFFFAOYSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001480515601 1392776106 /nfs/dbraw/zinc/77/61/06/1392776106.db2.gz HYEIKILPWDNBRE-YJBOKZPZSA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)Cc2c[nH]cn2)cc1 ZINC001480552639 1392790126 /nfs/dbraw/zinc/79/01/26/1392790126.db2.gz KZMAOQSNTHYCNG-CVEARBPZSA-N 2 0 342.487 3.006 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480710363 1392872870 /nfs/dbraw/zinc/87/28/70/1392872870.db2.gz VUZQSBIYTFMQEJ-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480736450 1392901519 /nfs/dbraw/zinc/90/15/19/1392901519.db2.gz FMICNVXCRHNFKI-RBUKOAKNSA-N 2 0 335.536 3.140 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480825144 1392962605 /nfs/dbraw/zinc/96/26/05/1392962605.db2.gz ZIGYSHVUONONKW-DRDDEIGGSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001480831958 1392972655 /nfs/dbraw/zinc/97/26/55/1392972655.db2.gz OSDKJDDKFBVHKZ-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001480832580 1392973569 /nfs/dbraw/zinc/97/35/69/1392973569.db2.gz BWNJOUUDDHGWMU-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)CC1=CCCCC1 ZINC001480984873 1393067449 /nfs/dbraw/zinc/06/74/49/1393067449.db2.gz DBMHJHSOOPVDFX-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ccc(C)cc1C ZINC001481018488 1393094728 /nfs/dbraw/zinc/09/47/28/1393094728.db2.gz NIIANEVCARPSGX-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001481108127 1393121559 /nfs/dbraw/zinc/12/15/59/1393121559.db2.gz PPYHFGNSXRSUKE-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1=CCCCC1 ZINC001481151959 1393135486 /nfs/dbraw/zinc/13/54/86/1393135486.db2.gz YGSAXKMKHAIQDO-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001481335590 1393166165 /nfs/dbraw/zinc/16/61/65/1393166165.db2.gz QUSQUNCKZPFVJL-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481335835 1393166168 /nfs/dbraw/zinc/16/61/68/1393166168.db2.gz RVYFVPLRCWSKKP-PVTFFILZSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001698916309 1406650075 /nfs/dbraw/zinc/65/00/75/1406650075.db2.gz INZCVOFZXFTEAY-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccsc1 ZINC001698918357 1406652872 /nfs/dbraw/zinc/65/28/72/1406652872.db2.gz XRGKPKPXSDBTQS-MSOLQXFVSA-N 2 0 349.544 3.093 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CCCC2)C1 ZINC001698919614 1406654068 /nfs/dbraw/zinc/65/40/68/1406654068.db2.gz CSPHJTGMZVYKMJ-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698922036 1406657138 /nfs/dbraw/zinc/65/71/38/1406657138.db2.gz ZLEZZIZFEZSPFH-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698928857 1406665455 /nfs/dbraw/zinc/66/54/55/1406665455.db2.gz MXDMWPSWWQSJHH-ZSQQTYLHSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001481365787 1394205315 /nfs/dbraw/zinc/20/53/15/1394205315.db2.gz ALRHHQPCKHMCOY-DUFRMZEJSA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001490434796 1394231255 /nfs/dbraw/zinc/23/12/55/1394231255.db2.gz BSBFLAAXHBBVPF-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001490579866 1394272709 /nfs/dbraw/zinc/27/27/09/1394272709.db2.gz YYPWXQWELYZISJ-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001490617915 1394285659 /nfs/dbraw/zinc/28/56/59/1394285659.db2.gz VHXSTIMVBMMJLZ-MJGOQNOKSA-N 2 0 335.536 3.115 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001481451603 1394307702 /nfs/dbraw/zinc/30/77/02/1394307702.db2.gz IWYYRJHZMRISCG-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950597 1406691182 /nfs/dbraw/zinc/69/11/82/1406691182.db2.gz ADWNIFHAAVNJST-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001491069442 1394417868 /nfs/dbraw/zinc/41/78/68/1394417868.db2.gz KSOMXCSGCHKCQP-SMJNTDKHSA-N 2 0 335.536 3.090 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001491210645 1394473239 /nfs/dbraw/zinc/47/32/39/1394473239.db2.gz SRQCMMACESLHJV-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001491220869 1394478996 /nfs/dbraw/zinc/47/89/96/1394478996.db2.gz FDQORWJAVLJICO-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C)C1CCC1 ZINC001491250994 1394491353 /nfs/dbraw/zinc/49/13/53/1394491353.db2.gz AGPKLIUDNFFERD-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1)[NH+](C)C ZINC001491252504 1394492211 /nfs/dbraw/zinc/49/22/11/1394492211.db2.gz PRJYBRWEVDLWQB-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001491260187 1394494591 /nfs/dbraw/zinc/49/45/91/1394494591.db2.gz GSFFAQUEGUACQP-ZMHWVXQFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001491682877 1394526118 /nfs/dbraw/zinc/52/61/18/1394526118.db2.gz PUNAXNXTPNFHLT-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481782395 1394527144 /nfs/dbraw/zinc/52/71/44/1394527144.db2.gz PICLYKXMVYEXAJ-SFFCAUCYSA-N 2 0 335.536 3.142 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001481959719 1394620368 /nfs/dbraw/zinc/62/03/68/1394620368.db2.gz ATPHKNQIGOFYMX-WUHOCANCSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976153 1394637288 /nfs/dbraw/zinc/63/72/88/1394637288.db2.gz FNTZPPZCMSVBKL-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481986807 1394649130 /nfs/dbraw/zinc/64/91/30/1394649130.db2.gz WMRXOWWKCRJJDX-DPZZJQGRSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001482018649 1394675514 /nfs/dbraw/zinc/67/55/14/1394675514.db2.gz MXZVXJNHJKKZJV-QAQDUYKDSA-N 2 0 337.552 3.312 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001482043068 1394704660 /nfs/dbraw/zinc/70/46/60/1394704660.db2.gz HAEFJDRICATIBX-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F)[NH+](CC)CC ZINC001482062288 1394723543 /nfs/dbraw/zinc/72/35/43/1394723543.db2.gz IKJMGXLMXDJNHJ-IEBWSBKVSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)[NH+]1CCCCC1 ZINC001482218980 1394812061 /nfs/dbraw/zinc/81/20/61/1394812061.db2.gz BENFJMLYLPSIGS-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001482222108 1394815754 /nfs/dbraw/zinc/81/57/54/1394815754.db2.gz VXCWFDHWJZXZDQ-LJQANCHMSA-N 2 0 347.547 3.378 10 0 EGAERP CCc1cccc(C[NH2+]C2(CNC(=O)C[N@H+](C)C(C)C)CCCC2)c1 ZINC001482238199 1394834542 /nfs/dbraw/zinc/83/45/42/1394834542.db2.gz JJZCWYQMVORZOG-UHFFFAOYSA-N 2 0 345.531 3.108 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001482294206 1394872372 /nfs/dbraw/zinc/87/23/72/1394872372.db2.gz YWZBOCSTWJTNSF-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482471193 1395025898 /nfs/dbraw/zinc/02/58/98/1395025898.db2.gz IUINCRMXSFJXSP-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001482564915 1395091250 /nfs/dbraw/zinc/09/12/50/1395091250.db2.gz HXTOUPVJMFYEPV-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483911591 1395141626 /nfs/dbraw/zinc/14/16/26/1395141626.db2.gz KERHLEMNRZAHGW-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001483913129 1395141998 /nfs/dbraw/zinc/14/19/98/1395141998.db2.gz FLWBONGAGATAMW-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917459 1395144537 /nfs/dbraw/zinc/14/45/37/1395144537.db2.gz WGAAHZZCRYUROQ-APWZRJJASA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001483941233 1395154196 /nfs/dbraw/zinc/15/41/96/1395154196.db2.gz QEEQNUMIQHQMFK-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001698975798 1406745221 /nfs/dbraw/zinc/74/52/21/1406745221.db2.gz PQDYLRGVMHYHPT-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484065257 1395227780 /nfs/dbraw/zinc/22/77/80/1395227780.db2.gz KSMOORIQLATMFU-NGXITPROSA-N 2 0 343.515 3.299 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001484326072 1395342654 /nfs/dbraw/zinc/34/26/54/1395342654.db2.gz ZTAZXGHKNTYJFI-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001484390190 1395359864 /nfs/dbraw/zinc/35/98/64/1395359864.db2.gz JYWQRCPJBKCCIW-BCDXTJNWSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C(C)C ZINC001698980515 1406756411 /nfs/dbraw/zinc/75/64/11/1406756411.db2.gz KHQRGSUXEGXMLL-WOJBJXKFSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001484463938 1395399046 /nfs/dbraw/zinc/39/90/46/1395399046.db2.gz LDWRJGJHYOONJV-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C/CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001484556996 1395438435 /nfs/dbraw/zinc/43/84/35/1395438435.db2.gz MSISXCZOVUCGEP-RRFGBZISSA-N 2 0 343.515 3.043 10 0 EGAERP C[C@H](C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001484761945 1395515410 /nfs/dbraw/zinc/51/54/10/1395515410.db2.gz ZFHOHGHTZYUVNT-GOSISDBHSA-N 2 0 339.568 3.467 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001484895277 1395590304 /nfs/dbraw/zinc/59/03/04/1395590304.db2.gz LKYCNDHPGZSEFH-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001485336760 1395808721 /nfs/dbraw/zinc/80/87/21/1395808721.db2.gz NUSUNQWFULYMQH-QGZVFWFLSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001485378373 1395860035 /nfs/dbraw/zinc/86/00/35/1395860035.db2.gz VMHSFMGNZOBHQR-APWZRJJASA-N 2 0 333.520 3.087 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001485456474 1395926432 /nfs/dbraw/zinc/92/64/32/1395926432.db2.gz USLICJXJRBIZDT-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCCC2CCC2)CC1(C)C ZINC001485571977 1396037509 /nfs/dbraw/zinc/03/75/09/1396037509.db2.gz QAJUTPYJXFVFQS-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CCC[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485727920 1396120133 /nfs/dbraw/zinc/12/01/33/1396120133.db2.gz PWMLBVCBYCZLTC-GOSISDBHSA-N 2 0 347.547 3.237 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485736769 1396123484 /nfs/dbraw/zinc/12/34/84/1396123484.db2.gz QACMNWYLSNLIEN-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001485737052 1396124760 /nfs/dbraw/zinc/12/47/60/1396124760.db2.gz UDABYYZQKYAOHC-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001485740557 1396127557 /nfs/dbraw/zinc/12/75/57/1396127557.db2.gz POXVWKQZZXHFJL-SFHVURJKSA-N 2 0 345.531 3.101 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001485763723 1396139572 /nfs/dbraw/zinc/13/95/72/1396139572.db2.gz FCLXNUSAALDPJG-PMACEKPBSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001485785494 1396153474 /nfs/dbraw/zinc/15/34/74/1396153474.db2.gz FNLLGWRMZCHKPN-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486241942 1396187967 /nfs/dbraw/zinc/18/79/67/1396187967.db2.gz ZRUJIODZHNBURR-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001486251457 1396189991 /nfs/dbraw/zinc/18/99/91/1396189991.db2.gz ZSMXXAARPAFIDX-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001502543081 1396204873 /nfs/dbraw/zinc/20/48/73/1396204873.db2.gz CGZMZXRMHDYFRX-UINFQJAVSA-N 2 0 347.547 3.142 10 0 EGAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699001360 1406812308 /nfs/dbraw/zinc/81/23/08/1406812308.db2.gz RPRJJYDZXGHZKU-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699001516 1406812622 /nfs/dbraw/zinc/81/26/22/1406812622.db2.gz XNTWTSWYDLJIGA-ZWKOTPCHSA-N 2 0 339.568 3.323 10 0 EGAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CCC1CCCCCC1 ZINC001492292790 1396318074 /nfs/dbraw/zinc/31/80/74/1396318074.db2.gz KDNPVHWJYFYCTE-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC(C)(C)C)CC[N@@H+]1C ZINC001493130582 1396337027 /nfs/dbraw/zinc/33/70/27/1396337027.db2.gz WVTUBEYUPISTPQ-OKZBNKHCSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCCC3CCC3)C2)CC[N@@H+]1C ZINC001494134455 1396377650 /nfs/dbraw/zinc/37/76/50/1396377650.db2.gz GHHWEXMHYANGLB-SLFFLAALSA-N 2 0 349.563 3.077 10 0 EGAERP CCCC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001495325040 1396533241 /nfs/dbraw/zinc/53/32/41/1396533241.db2.gz LAMDZTLEJBMSQN-PXNSSMCTSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC2 ZINC001495602003 1396548343 /nfs/dbraw/zinc/54/83/43/1396548343.db2.gz WSEAPGHRUSUKOX-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1)[NH+](C)C ZINC001495918707 1396572303 /nfs/dbraw/zinc/57/23/03/1396572303.db2.gz KCOOKOHVDUSZPI-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496078472 1396596434 /nfs/dbraw/zinc/59/64/34/1396596434.db2.gz DZOMZLJTILZQPZ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](C[NH2+]CC/C=C\c1ccccc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082766 1396598106 /nfs/dbraw/zinc/59/81/06/1396598106.db2.gz UCNMRZWWAMPWTO-RUEYPURISA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001496084421 1396599052 /nfs/dbraw/zinc/59/90/52/1396599052.db2.gz WPQOMLLKPMLHLP-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180358 1396620616 /nfs/dbraw/zinc/62/06/16/1396620616.db2.gz YQGPSGJNMAPIPX-MJGOQNOKSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCCC2)cc1 ZINC001496320231 1396647957 /nfs/dbraw/zinc/64/79/57/1396647957.db2.gz ITBJKBOLPKIRPF-HXUWFJFHSA-N 2 0 345.531 3.101 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCCC2)cc1 ZINC001496320230 1396648200 /nfs/dbraw/zinc/64/82/00/1396648200.db2.gz ITBJKBOLPKIRPF-FQEVSTJZSA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001496328541 1396652559 /nfs/dbraw/zinc/65/25/59/1396652559.db2.gz ZGUSPDQEBVTHKA-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001496575265 1396716854 /nfs/dbraw/zinc/71/68/54/1396716854.db2.gz OSTZVHJMZRYTNG-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001497764561 1396834794 /nfs/dbraw/zinc/83/47/94/1396834794.db2.gz PEANSFCJQIKMIX-RTRPANQVSA-N 2 0 347.478 3.025 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001497765651 1396835999 /nfs/dbraw/zinc/83/59/99/1396835999.db2.gz SRHBUSDCMVPCAA-IYKSTZQJSA-N 2 0 337.895 3.003 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699017256 1406850362 /nfs/dbraw/zinc/85/03/62/1406850362.db2.gz MQDRIAVLTCQFFE-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689054709 1396852801 /nfs/dbraw/zinc/85/28/01/1396852801.db2.gz AGRFGZRIBFBKNK-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001689129164 1396934421 /nfs/dbraw/zinc/93/44/21/1396934421.db2.gz RDGUKQOGKDFHAZ-YDZRNGNQSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCCC2)[C@@H]1CC ZINC001689194239 1396967330 /nfs/dbraw/zinc/96/73/30/1396967330.db2.gz PWRLCYACDPCGFC-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001689267944 1396999436 /nfs/dbraw/zinc/99/94/36/1396999436.db2.gz UUDOEUUDXRPEGO-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001690002327 1404249487 /nfs/dbraw/zinc/24/94/87/1404249487.db2.gz GLBQQMJTDDRVGO-LJQANCHMSA-N 2 0 335.536 3.163 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001690122740 1404316151 /nfs/dbraw/zinc/31/61/51/1404316151.db2.gz ARBILECYAPDYIA-RTBURBONSA-N 2 0 349.563 3.412 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](Cc2ccsc2)CC1 ZINC001690133280 1404329216 /nfs/dbraw/zinc/32/92/16/1404329216.db2.gz ZYVJUWXMLKCKDU-SFHVURJKSA-N 2 0 349.544 3.045 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001690207405 1404415026 /nfs/dbraw/zinc/41/50/26/1404415026.db2.gz WVNAKPJJDQJNEH-ZCNNSNEGSA-N 2 0 347.547 3.259 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001690295232 1404455420 /nfs/dbraw/zinc/45/54/20/1404455420.db2.gz OUMVJVMMZGVKBO-VSHKWFJMSA-N 2 0 335.536 3.090 10 0 EGAERP CCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001690317544 1404473759 /nfs/dbraw/zinc/47/37/59/1404473759.db2.gz HUHURLYCHFCYBD-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3CCCCC3)CC[C@H]21 ZINC001690318186 1404475170 /nfs/dbraw/zinc/47/51/70/1404475170.db2.gz QAQLIGRBMQGXGX-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001690436737 1404559117 /nfs/dbraw/zinc/55/91/17/1404559117.db2.gz PGHJCCZIKDXBTA-SLVIYJBESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001690450192 1404575889 /nfs/dbraw/zinc/57/58/89/1404575889.db2.gz BTPYIOCRGOEXBW-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690471864 1404596374 /nfs/dbraw/zinc/59/63/74/1404596374.db2.gz WQYXDNGVWDKKDF-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001690484334 1404601180 /nfs/dbraw/zinc/60/11/80/1404601180.db2.gz OVMJOEKQMBWHQQ-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001690490790 1404604431 /nfs/dbraw/zinc/60/44/31/1404604431.db2.gz FDJIBRLVQJEPDR-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001690546224 1404629058 /nfs/dbraw/zinc/62/90/58/1404629058.db2.gz NIUBXLGIMCMNRE-VNCLNFNDSA-N 2 0 349.494 3.244 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690628383 1404663367 /nfs/dbraw/zinc/66/33/67/1404663367.db2.gz LUOOJAQCFPSLLY-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001690650616 1404682114 /nfs/dbraw/zinc/68/21/14/1404682114.db2.gz NSSZAJJVEXKFSZ-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001690650615 1404682268 /nfs/dbraw/zinc/68/22/68/1404682268.db2.gz NSSZAJJVEXKFSZ-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001690752100 1404709039 /nfs/dbraw/zinc/70/90/39/1404709039.db2.gz YHGKJPQHELNWLQ-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725174306 1425687683 /nfs/dbraw/zinc/68/76/83/1425687683.db2.gz QCLGFLGUJZIACZ-LQYUOIDQSA-N 2 0 328.460 3.049 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001690783750 1404730829 /nfs/dbraw/zinc/73/08/29/1404730829.db2.gz FVFOKBLITZFCHN-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001690843365 1404772946 /nfs/dbraw/zinc/77/29/46/1404772946.db2.gz WAWXYWYJTICPCL-MJGOQNOKSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001690849096 1404775689 /nfs/dbraw/zinc/77/56/89/1404775689.db2.gz SKFGNJJRJHDGSG-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001725492954 1426170617 /nfs/dbraw/zinc/17/06/17/1426170617.db2.gz PIKXCDMWXNVYEJ-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC)CC1CCC2(CC2)CC1 ZINC001691022156 1404936155 /nfs/dbraw/zinc/93/61/55/1404936155.db2.gz OMEYNZDQLDKUEH-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691065836 1404992333 /nfs/dbraw/zinc/99/23/33/1404992333.db2.gz GXMQLGSZOWSYKX-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691163048 1405098571 /nfs/dbraw/zinc/09/85/71/1405098571.db2.gz NEJYLQIXTVTQTO-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691163049 1405098674 /nfs/dbraw/zinc/09/86/74/1405098674.db2.gz NEJYLQIXTVTQTO-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691277252 1405189193 /nfs/dbraw/zinc/18/91/93/1405189193.db2.gz UNIRQGPVIXWQST-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001691302273 1405198052 /nfs/dbraw/zinc/19/80/52/1405198052.db2.gz VJPTVJNEFHFJEC-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691365937 1405215260 /nfs/dbraw/zinc/21/52/60/1405215260.db2.gz SMUQKTPHPOEFDJ-HPMXEOQNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]C/C=C/Cl ZINC001691411844 1405250631 /nfs/dbraw/zinc/25/06/31/1405250631.db2.gz YEGDJDVDRRIRFX-JSMQFAGNSA-N 2 0 343.943 3.076 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691680003 1405416017 /nfs/dbraw/zinc/41/60/17/1405416017.db2.gz ZUBINLSAZOZKHU-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C)[NH+]1CCCC1 ZINC001691765808 1405478778 /nfs/dbraw/zinc/47/87/78/1405478778.db2.gz ZIGUJVBJAMDHGI-YZGWKJHDSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691798889 1405511823 /nfs/dbraw/zinc/51/18/23/1405511823.db2.gz UEMFQMXDGGLEQU-FQEVSTJZSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691960334 1405677595 /nfs/dbraw/zinc/67/75/95/1405677595.db2.gz PAARJFMENXBUJA-UCFODXPJSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001691960144 1405677674 /nfs/dbraw/zinc/67/76/74/1405677674.db2.gz LOVYWJVMEPBOEL-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001691968630 1405685175 /nfs/dbraw/zinc/68/51/75/1405685175.db2.gz MEWTXIUPORQTKG-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001691999865 1405715700 /nfs/dbraw/zinc/71/57/00/1405715700.db2.gz PLSUNOHDIFYUTL-KXBFYZLASA-N 2 0 342.487 3.273 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001692003838 1405719688 /nfs/dbraw/zinc/71/96/88/1405719688.db2.gz CTFCDZSFBHLQHU-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001692004158 1405720568 /nfs/dbraw/zinc/72/05/68/1405720568.db2.gz AJXDAGWAELKWRG-KPENODOHSA-N 2 0 349.563 3.432 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001692010915 1405729622 /nfs/dbraw/zinc/72/96/22/1405729622.db2.gz ZUYWAJSROPYQLJ-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC001692027502 1405746180 /nfs/dbraw/zinc/74/61/80/1405746180.db2.gz WGQUGPFVCGFCLB-VQTJNVASSA-N 2 0 345.531 3.113 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001692131647 1405788975 /nfs/dbraw/zinc/78/89/75/1405788975.db2.gz GNKDFFSYVGVYOT-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001731770980 1427881793 /nfs/dbraw/zinc/88/17/93/1427881793.db2.gz FPXMIOQAANMHIQ-SHCNBLLESA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001692280457 1405916276 /nfs/dbraw/zinc/91/62/76/1405916276.db2.gz WPCDAWWCFFEVHB-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001692280714 1405917761 /nfs/dbraw/zinc/91/77/61/1405917761.db2.gz BTIFDHRZBLMFBQ-ILLWUZKMSA-N 2 0 349.563 3.243 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001731911236 1428168522 /nfs/dbraw/zinc/16/85/22/1428168522.db2.gz QJFQDTMDHLOMLC-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001692394888 1405996022 /nfs/dbraw/zinc/99/60/22/1405996022.db2.gz VQSOZAJNVXNHAC-QRVBRYPASA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698577514 1406187534 /nfs/dbraw/zinc/18/75/34/1406187534.db2.gz PRPMBKHGNTXNOU-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001732038897 1428263850 /nfs/dbraw/zinc/26/38/50/1428263850.db2.gz MVWJBTWWPQZSOW-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001732058252 1428302944 /nfs/dbraw/zinc/30/29/44/1428302944.db2.gz BJRPHLCNWZWQNV-VQTJNVASSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176355 1428421838 /nfs/dbraw/zinc/42/18/38/1428421838.db2.gz SUYUPSQIUKXDSN-PMACEKPBSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001732197509 1428448466 /nfs/dbraw/zinc/44/84/66/1428448466.db2.gz BBYUWJISRLHIBJ-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001732231496 1428478285 /nfs/dbraw/zinc/47/82/85/1428478285.db2.gz QLTIQMQEEAFMIY-YQHFQFMOSA-N 2 0 347.547 3.378 10 0 EGAERP Cc1c(C(=O)N2CCC[C@@H](CC[NH2+]CC(C)C)C2)ccc2c[nH+]cn21 ZINC001732275286 1428509583 /nfs/dbraw/zinc/50/95/83/1428509583.db2.gz PRKFSCRYITVUCY-KRWDZBQOSA-N 2 0 342.487 3.131 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001732289723 1428515869 /nfs/dbraw/zinc/51/58/69/1428515869.db2.gz XVIFBSTXEOFOIH-QKNQBKEWSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001732312227 1428524829 /nfs/dbraw/zinc/52/48/29/1428524829.db2.gz SOGTWYCFNOXLQD-CADBVGFASA-N 2 0 335.536 3.066 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001732323454 1428532587 /nfs/dbraw/zinc/53/25/87/1428532587.db2.gz QBLOGWSCJHEUBZ-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NCCC1CC[NH+](CC2CCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732326011 1428534737 /nfs/dbraw/zinc/53/47/37/1428534737.db2.gz NMZFEUPDKGBDMN-UXHICEINSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CC3CCCCCC3)CCCC2)C1 ZINC001732399967 1428566087 /nfs/dbraw/zinc/56/60/87/1428566087.db2.gz RSHRGCSJWLKABC-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001732477657 1428603820 /nfs/dbraw/zinc/60/38/20/1428603820.db2.gz PRVYQSDXHMRXAZ-PMACEKPBSA-N 2 0 349.563 3.458 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732530364 1428650909 /nfs/dbraw/zinc/65/09/09/1428650909.db2.gz VBNSHDDSRDOGDI-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001732533162 1428653915 /nfs/dbraw/zinc/65/39/15/1428653915.db2.gz RYVSBEVJLVJUAI-UHDDOPSISA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C ZINC001699131289 1412525455 /nfs/dbraw/zinc/52/54/55/1412525455.db2.gz LGRMXSHTAIYWNY-KRWDZBQOSA-N 2 0 341.499 3.084 10 0 EGAERP C[C@@H](CC[NH2+]CCC1CCCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699147327 1412535434 /nfs/dbraw/zinc/53/54/34/1412535434.db2.gz PWOFNLGWLZJMTB-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001699184200 1412558583 /nfs/dbraw/zinc/55/85/83/1412558583.db2.gz JDMIYCSHCZUWRF-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699185800 1412559322 /nfs/dbraw/zinc/55/93/22/1412559322.db2.gz DFAVZONZUOKOSQ-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001699294344 1412620382 /nfs/dbraw/zinc/62/03/82/1412620382.db2.gz NGAVYEDGBSPYBM-YSKLNCTFSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001699343509 1412652032 /nfs/dbraw/zinc/65/20/32/1412652032.db2.gz CVGZFMTVTLWIHX-QHHIFSJYSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001699369430 1412675855 /nfs/dbraw/zinc/67/58/55/1412675855.db2.gz ZUQYRJCWNSRPJJ-IEBWSBKVSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699416804 1412730547 /nfs/dbraw/zinc/73/05/47/1412730547.db2.gz MJPUONWJAXNHSC-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001699448314 1412784662 /nfs/dbraw/zinc/78/46/62/1412784662.db2.gz UYFXLVUHDNRZHQ-SJLPKXTDSA-N 2 0 337.552 3.266 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699486918 1412882623 /nfs/dbraw/zinc/88/26/23/1412882623.db2.gz QYTOWVNWWSTJHD-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699515598 1412900562 /nfs/dbraw/zinc/90/05/62/1412900562.db2.gz DEDVABYYNJXMRP-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1c(C(=O)N(C)CCC[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001699520584 1412903295 /nfs/dbraw/zinc/90/32/95/1412903295.db2.gz KZZGTUGOFCGDAU-UHFFFAOYSA-N 2 0 340.471 3.195 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001699554751 1412922023 /nfs/dbraw/zinc/92/20/23/1412922023.db2.gz YEUXMLVOXPOPAQ-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575698 1412932087 /nfs/dbraw/zinc/93/20/87/1412932087.db2.gz IBRVURQKJYTRNW-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001699674405 1413066391 /nfs/dbraw/zinc/06/63/91/1413066391.db2.gz VRFBVPCGPCHOAF-FZZLMOMWSA-N 2 0 347.547 3.142 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC(C)CC1 ZINC001699692049 1413097643 /nfs/dbraw/zinc/09/76/43/1413097643.db2.gz HMVUSCKHWMCIIC-KHSMEXAKSA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001699707572 1413124489 /nfs/dbraw/zinc/12/44/89/1413124489.db2.gz YSPPWORRCJNHGR-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001699725330 1413139365 /nfs/dbraw/zinc/13/93/65/1413139365.db2.gz BOFAJYABGNKXFH-QLOJAFMTSA-N 2 0 349.563 3.076 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699750310 1413158419 /nfs/dbraw/zinc/15/84/19/1413158419.db2.gz IDKZIDIWYZCXGS-QWNKOJSDSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699767959 1413173340 /nfs/dbraw/zinc/17/33/40/1413173340.db2.gz YTFXTMGHXRUOGZ-PRPIBZDOSA-N 2 0 343.515 3.299 10 0 EGAERP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824713 1413249430 /nfs/dbraw/zinc/24/94/30/1413249430.db2.gz RIVLQPOECJRGKG-HNAYVOBHSA-N 2 0 349.906 3.077 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001732546921 1428723618 /nfs/dbraw/zinc/72/36/18/1428723618.db2.gz XFEQMRBDVWLXPP-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001699964293 1413404458 /nfs/dbraw/zinc/40/44/58/1413404458.db2.gz YHNPORPIFJZBLQ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001699968610 1413408065 /nfs/dbraw/zinc/40/80/65/1413408065.db2.gz HANCQGRZGNKNBO-FXAWDEMLSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001699978948 1413423987 /nfs/dbraw/zinc/42/39/87/1413423987.db2.gz IKZOGNGZKDGXOI-UFYCRDLUSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CCC3CC3)C2)CCCCC1 ZINC001700068943 1413484643 /nfs/dbraw/zinc/48/46/43/1413484643.db2.gz SIXIGZCTTVMSSA-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094336 1413508589 /nfs/dbraw/zinc/50/85/89/1413508589.db2.gz SMMLEHJIODKHQJ-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001700181558 1413596035 /nfs/dbraw/zinc/59/60/35/1413596035.db2.gz XJCSKLMFBJQZPW-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C)[NH+](CC)CC ZINC001700292736 1413747664 /nfs/dbraw/zinc/74/76/64/1413747664.db2.gz NEVJTSPASFPLAT-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCC1 ZINC001732565448 1428757122 /nfs/dbraw/zinc/75/71/22/1428757122.db2.gz NAHWOMPCCIOPSO-YTQUADARSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001700345907 1413832801 /nfs/dbraw/zinc/83/28/01/1413832801.db2.gz QIOGZSNSDIORJU-DBBZSVRUSA-N 2 0 343.515 3.012 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001700438080 1414007483 /nfs/dbraw/zinc/00/74/83/1414007483.db2.gz UXKDERXKSKMDFA-VCAODHHZSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001700465116 1414069801 /nfs/dbraw/zinc/06/98/01/1414069801.db2.gz ZXQZTIWHSVTUGE-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700518127 1414171755 /nfs/dbraw/zinc/17/17/55/1414171755.db2.gz ULWMNKDFDVGGJL-BHIYHBOVSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700520305 1414175046 /nfs/dbraw/zinc/17/50/46/1414175046.db2.gz BFNVIAPGVGCFBP-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001732584838 1428796407 /nfs/dbraw/zinc/79/64/07/1428796407.db2.gz DAVHZAYECMKAHA-FQEVSTJZSA-N 2 0 347.547 3.284 10 0 EGAERP CCCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001700641007 1414306674 /nfs/dbraw/zinc/30/66/74/1414306674.db2.gz JBACUDGWUIKQDI-MKXGPGLRSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001700766851 1414442440 /nfs/dbraw/zinc/44/24/40/1414442440.db2.gz IDRLFMWRRUKKKJ-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700853977 1414501358 /nfs/dbraw/zinc/50/13/58/1414501358.db2.gz OWFSUGDHPAQSPS-FXAWDEMLSA-N 2 0 345.531 3.377 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2)CC(C)(C)C ZINC001700863521 1414512917 /nfs/dbraw/zinc/51/29/17/1414512917.db2.gz NYAXHPJPVOIEQM-NQIIRXRSSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCCC2CCC2)CC3)CC1 ZINC001700864447 1414514800 /nfs/dbraw/zinc/51/48/00/1414514800.db2.gz RSLNSSAKLRYRPV-GHTZIAJQSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)C2)cc1 ZINC001700906023 1414560818 /nfs/dbraw/zinc/56/08/18/1414560818.db2.gz IKZJFTNOEYVXJV-ICSRJNTNSA-N 2 0 343.515 3.036 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001700941292 1414583854 /nfs/dbraw/zinc/58/38/54/1414583854.db2.gz FLKZADNRWYOKPL-YZBXUTEPSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC001700985748 1414627970 /nfs/dbraw/zinc/62/79/70/1414627970.db2.gz RMTNSJIGVZMFMF-BBWFWOEESA-N 2 0 339.568 3.273 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700987075 1414629371 /nfs/dbraw/zinc/62/93/71/1414629371.db2.gz FZTQZFNNKVFWSG-MSOLQXFVSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700987078 1414629408 /nfs/dbraw/zinc/62/94/08/1414629408.db2.gz FZTQZFNNKVFWSG-ZWKOTPCHSA-N 2 0 337.552 3.314 10 0 EGAERP CCC(CC)C[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001701031034 1414694203 /nfs/dbraw/zinc/69/42/03/1414694203.db2.gz URHYIMQFLZIFQZ-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001701062891 1414719795 /nfs/dbraw/zinc/71/97/95/1414719795.db2.gz RJZFAHBFUYMJIG-UHFFFAOYSA-N 2 0 347.547 3.191 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941874 1429065743 /nfs/dbraw/zinc/06/57/43/1429065743.db2.gz HCBZELMPCAJKLG-OVKVCFKUSA-N 2 0 349.563 3.339 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001707239017 1417259393 /nfs/dbraw/zinc/25/93/93/1417259393.db2.gz VDSZEAJZFFOCKB-PHWHVTFISA-N 2 0 346.519 3.450 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707249016 1417265793 /nfs/dbraw/zinc/26/57/93/1417265793.db2.gz VKPYEQJZGPDHPH-WFRZBGSESA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001707254703 1417268087 /nfs/dbraw/zinc/26/80/87/1417268087.db2.gz GVNBDXWWJIZPJH-AEFFLSMTSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](c2ccccc2)N(C)C)[C@H]1C ZINC001707268417 1417275352 /nfs/dbraw/zinc/27/53/52/1417275352.db2.gz PPMBWXWALVVHBE-YZGWKJHDSA-N 2 0 345.531 3.449 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1)[NH+](CC)CC ZINC001707282438 1417293363 /nfs/dbraw/zinc/29/33/63/1417293363.db2.gz XLDVGXOMYQHMKV-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001707424893 1417331884 /nfs/dbraw/zinc/33/18/84/1417331884.db2.gz ZGASKGNINMZDGM-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445705 1417349845 /nfs/dbraw/zinc/34/98/45/1417349845.db2.gz UQLKNMPYZYEVKI-QWXNRMGCSA-N 2 0 343.515 3.011 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707447304 1417351184 /nfs/dbraw/zinc/35/11/84/1417351184.db2.gz QJCNXKXTKRAAKS-ASIGSXEYSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001707481413 1417378033 /nfs/dbraw/zinc/37/80/33/1417378033.db2.gz FOYSGNZVRPHLFX-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1ccccc1F ZINC001713013333 1417566651 /nfs/dbraw/zinc/56/66/51/1417566651.db2.gz TUQYQWHULUSJQQ-JFIYKMOQSA-N 2 0 349.494 3.055 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001713057544 1417612036 /nfs/dbraw/zinc/61/20/36/1417612036.db2.gz RCCFDMALRIDPGX-CEXWTWQISA-N 2 0 349.563 3.077 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001713057546 1417612401 /nfs/dbraw/zinc/61/24/01/1417612401.db2.gz RCCFDMALRIDPGX-QRVBRYPASA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713084093 1417629553 /nfs/dbraw/zinc/62/95/53/1417629553.db2.gz KZVPEOXMWCWILU-PKOBYXMFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713134106 1417711832 /nfs/dbraw/zinc/71/18/32/1417711832.db2.gz HFBKBXAOBOZHHH-GOSISDBHSA-N 2 0 337.552 3.101 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]21 ZINC001713180961 1417755383 /nfs/dbraw/zinc/75/53/83/1417755383.db2.gz BCEIXWBRZCFIEX-UXHICEINSA-N 2 0 347.547 3.142 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713199761 1417770584 /nfs/dbraw/zinc/77/05/84/1417770584.db2.gz NWPXXFGMHKXWAT-SLFFLAALSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1cc(C)ccc1C ZINC001733063631 1429215222 /nfs/dbraw/zinc/21/52/22/1429215222.db2.gz XNIABJMGHPJUNL-MSOLQXFVSA-N 2 0 333.520 3.143 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)[NH+](CC)CC ZINC001713266407 1417875002 /nfs/dbraw/zinc/87/50/02/1417875002.db2.gz UTEWAQBEPOPNLW-WOJBJXKFSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001713272415 1417887872 /nfs/dbraw/zinc/88/78/72/1417887872.db2.gz VMKQFBVTSRGSIY-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279856 1417905785 /nfs/dbraw/zinc/90/57/85/1417905785.db2.gz VHAQYEBMRMDLNG-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001713342273 1417964599 /nfs/dbraw/zinc/96/45/99/1417964599.db2.gz GDSDMEOCPSTERS-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001713356585 1417973368 /nfs/dbraw/zinc/97/33/68/1417973368.db2.gz GWXSSWOBFWEOPK-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713401960 1418024617 /nfs/dbraw/zinc/02/46/17/1418024617.db2.gz WOEPLRZGFHBIKK-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001733080067 1429233424 /nfs/dbraw/zinc/23/34/24/1429233424.db2.gz ULJPYWNXPXAAFU-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001713469675 1418136140 /nfs/dbraw/zinc/13/61/40/1418136140.db2.gz VMJWMGWFJHLYQJ-SFHVURJKSA-N 2 0 345.531 3.144 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001713678190 1418430215 /nfs/dbraw/zinc/43/02/15/1418430215.db2.gz UKKUCGCCCHPDIB-QRMWTIMZSA-N 2 0 349.563 3.432 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001713765976 1418578854 /nfs/dbraw/zinc/57/88/54/1418578854.db2.gz IIKNXPZZBOWSDI-MRXNPFEDSA-N 2 0 349.494 3.009 10 0 EGAERP CN(C(=O)CCc1c[nH]cn1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001713779828 1418595569 /nfs/dbraw/zinc/59/55/69/1418595569.db2.gz MXJBGQIGIHMIGY-UHFFFAOYSA-N 2 0 344.503 3.156 10 0 EGAERP CC(C)(C(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001733169986 1429272749 /nfs/dbraw/zinc/27/27/49/1429272749.db2.gz DFQBKQVAJPCTKL-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713855330 1418651991 /nfs/dbraw/zinc/65/19/91/1418651991.db2.gz SRCNKJATFLNPCK-RTBURBONSA-N 2 0 347.547 3.044 10 0 EGAERP CCCN(C(=O)CC[N@H+](C)CC)C1CC[NH+](CC2CCCC2)CC1 ZINC001713858396 1418655286 /nfs/dbraw/zinc/65/52/86/1418655286.db2.gz OAYJNCJKGHUDQU-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713896672 1418694313 /nfs/dbraw/zinc/69/43/13/1418694313.db2.gz JRGMMCWHRPLCCG-RRFGBZISSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCC2CCCCC2)C1 ZINC001713897016 1418695261 /nfs/dbraw/zinc/69/52/61/1418695261.db2.gz HRWLGJMSHDHSBL-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714006280 1418785986 /nfs/dbraw/zinc/78/59/86/1418785986.db2.gz KMXLGPMAWYEGKH-LIXSYLKWSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001714022456 1418805149 /nfs/dbraw/zinc/80/51/49/1418805149.db2.gz RUDYDCYMIGWSPI-RSPOEFSDSA-N 2 0 343.515 3.105 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714086218 1418879593 /nfs/dbraw/zinc/87/95/93/1418879593.db2.gz JLQKWIMVIWPFTG-UEKDZROGSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001714117884 1418921577 /nfs/dbraw/zinc/92/15/77/1418921577.db2.gz FQZHOORIILWZSU-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C ZINC001714125000 1418929342 /nfs/dbraw/zinc/92/93/42/1418929342.db2.gz LNFOBGGWMPSNMV-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714127443 1418931587 /nfs/dbraw/zinc/93/15/87/1418931587.db2.gz DVJMDNAMCHNSLF-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2ccc(F)cc2)CCCC1 ZINC001714151368 1418957781 /nfs/dbraw/zinc/95/77/81/1418957781.db2.gz MGDZBUXHPYOMSY-MRXNPFEDSA-N 2 0 349.494 3.246 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001714152728 1418959978 /nfs/dbraw/zinc/95/99/78/1418959978.db2.gz ZNFUQKPLRXCOLL-CALCHBBNSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1)c1ccccc1 ZINC001714291795 1419070258 /nfs/dbraw/zinc/07/02/58/1419070258.db2.gz SDIKVSOBCOXPFW-QAPCUYQASA-N 2 0 345.512 3.035 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001714312918 1419093481 /nfs/dbraw/zinc/09/34/81/1419093481.db2.gz KLGNCMONFSELLK-CKWDHDKDSA-N 2 0 335.536 3.092 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CCCC3CCCC3)C2)CC1 ZINC001714365730 1419125921 /nfs/dbraw/zinc/12/59/21/1419125921.db2.gz KDXRLGBEXNDKMD-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714403306 1419145551 /nfs/dbraw/zinc/14/55/51/1419145551.db2.gz LNVIZIHGXXFNNI-FKDQEEMOSA-N 2 0 347.547 3.236 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714409763 1419149473 /nfs/dbraw/zinc/14/94/73/1419149473.db2.gz BYCWVWAGIUKBJR-MOPGFXCFSA-N 2 0 331.504 3.179 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714421976 1419157571 /nfs/dbraw/zinc/15/75/71/1419157571.db2.gz DPDQEHFZVZHPRU-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714453132 1419185802 /nfs/dbraw/zinc/18/58/02/1419185802.db2.gz HDFADKGXJHPVDD-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)C1 ZINC001714523764 1419249751 /nfs/dbraw/zinc/24/97/51/1419249751.db2.gz KTRYBVIUDNACLP-RTBURBONSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714571302 1419303591 /nfs/dbraw/zinc/30/35/91/1419303591.db2.gz BTKHUTBIKRBBKX-PMACEKPBSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001714624492 1419393516 /nfs/dbraw/zinc/39/35/16/1419393516.db2.gz WTZAAJSEHQGAOB-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCCC1)[NH+]1CCCC1 ZINC001733219787 1429339515 /nfs/dbraw/zinc/33/95/15/1429339515.db2.gz RQQNDEILROUAAK-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001714815354 1419526138 /nfs/dbraw/zinc/52/61/38/1419526138.db2.gz FLSVZYMZKKFOFZ-QZTJIDSGSA-N 2 0 333.520 3.143 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001714867338 1419594894 /nfs/dbraw/zinc/59/48/94/1419594894.db2.gz NUVWZPJWMIILHR-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714892848 1419631887 /nfs/dbraw/zinc/63/18/87/1419631887.db2.gz WIMMOTWLDFYVRL-OYQYDDJWSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001714914062 1419662513 /nfs/dbraw/zinc/66/25/13/1419662513.db2.gz OVZPTUQLCZUETH-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714977958 1419712881 /nfs/dbraw/zinc/71/28/81/1419712881.db2.gz PIGZGTZACHEWBT-PSCPARJHSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1)[NH+](CC)CC ZINC001714992367 1419724727 /nfs/dbraw/zinc/72/47/27/1419724727.db2.gz QWOJUMWRJQRUFE-UFYCRDLUSA-N 2 0 347.547 3.282 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715032324 1419764966 /nfs/dbraw/zinc/76/49/66/1419764966.db2.gz QLOXPDBTHAUTOU-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001715047780 1419788444 /nfs/dbraw/zinc/78/84/44/1419788444.db2.gz RZOXWDGJSRUQPN-LJQANCHMSA-N 2 0 345.531 3.066 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077156 1419811825 /nfs/dbraw/zinc/81/18/25/1419811825.db2.gz YOKYYTDNSHBAFZ-RBUKOAKNSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001715157636 1419899697 /nfs/dbraw/zinc/89/96/97/1419899697.db2.gz ZANRHCVYFPSBNY-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001715183762 1419916993 /nfs/dbraw/zinc/91/69/93/1419916993.db2.gz RAEYDSDNWCVVEM-GUDVDZBRSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715210638 1419943478 /nfs/dbraw/zinc/94/34/78/1419943478.db2.gz SGDINAOYMZEXPZ-LSLCWXNRSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715211272 1419944107 /nfs/dbraw/zinc/94/41/07/1419944107.db2.gz SGHCKIAWIHRIRZ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CCCCCC1 ZINC001715238181 1419968517 /nfs/dbraw/zinc/96/85/17/1419968517.db2.gz JMZXUNDTWATTSX-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001715238550 1419969075 /nfs/dbraw/zinc/96/90/75/1419969075.db2.gz ZWROPAAQMGTYTM-BBIZLLLXSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001715303781 1420012050 /nfs/dbraw/zinc/01/20/50/1420012050.db2.gz SJYMMPVMNQVMAN-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]C[C@@H](C)CC)CCCC2)C1 ZINC001715304336 1420012756 /nfs/dbraw/zinc/01/27/56/1420012756.db2.gz NIDYWQJXODOSAD-ROUUACIJSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715341088 1420043924 /nfs/dbraw/zinc/04/39/24/1420043924.db2.gz UYKPNALAVOJBOM-WMZOPIPTSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715367491 1420064035 /nfs/dbraw/zinc/06/40/35/1420064035.db2.gz JNXNXMJXAKWJCX-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001715388452 1420085084 /nfs/dbraw/zinc/08/50/84/1420085084.db2.gz GXRNQNHRHFGDCJ-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001715403573 1420102545 /nfs/dbraw/zinc/10/25/45/1420102545.db2.gz RPNVODXOOHIGFA-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001715423034 1420114417 /nfs/dbraw/zinc/11/44/17/1420114417.db2.gz FZDNLAMXBBGCGG-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001715482104 1420161062 /nfs/dbraw/zinc/16/10/62/1420161062.db2.gz WMIKZAKYYJPZPI-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001715494257 1420175783 /nfs/dbraw/zinc/17/57/83/1420175783.db2.gz WCQQBABULRIXFP-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001715593009 1420263039 /nfs/dbraw/zinc/26/30/39/1420263039.db2.gz DTRINRJJKCITQZ-KDOFPFPSSA-N 2 0 330.476 3.033 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001715657331 1420281743 /nfs/dbraw/zinc/28/17/43/1420281743.db2.gz BSNWPESKAFCEJI-QZTJIDSGSA-N 2 0 325.541 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001715710349 1420305528 /nfs/dbraw/zinc/30/55/28/1420305528.db2.gz BCQPVXPTWJLCOW-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CCCCCC1 ZINC001715725730 1420312620 /nfs/dbraw/zinc/31/26/20/1420312620.db2.gz CWRRDISLVBOPCP-LJQANCHMSA-N 2 0 337.552 3.173 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1=CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715828377 1420358922 /nfs/dbraw/zinc/35/89/22/1420358922.db2.gz RZQHXRYDLKJLKM-YJJPMGAVSA-N 2 0 345.531 3.156 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829335 1420359899 /nfs/dbraw/zinc/35/98/99/1420359899.db2.gz SQFBPRAYYLZKKQ-LUODXLFYSA-N 2 0 347.478 3.023 10 0 EGAERP CC[C@@H]([NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715845452 1420365856 /nfs/dbraw/zinc/36/58/56/1420365856.db2.gz URJFAKNOXCRXIK-OVKVCFKUSA-N 2 0 341.499 3.028 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCC1=CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001715881485 1420381764 /nfs/dbraw/zinc/38/17/64/1420381764.db2.gz BMNZCRANJXUFRN-PSCPARJHSA-N 2 0 345.531 3.156 10 0 EGAERP CC1(C)CCC(C[NH2+]C/C=C/CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001715910777 1420393563 /nfs/dbraw/zinc/39/35/63/1420393563.db2.gz FIWUEHPECALQJF-SNAWJCMRSA-N 2 0 349.563 3.341 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001715911573 1420394194 /nfs/dbraw/zinc/39/41/94/1420394194.db2.gz ICPAFHIXJJAXPL-YVACAVLKSA-N 2 0 337.895 3.003 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716034536 1420493524 /nfs/dbraw/zinc/49/35/24/1420493524.db2.gz KNZCUSHKDCCLBR-ZWKOTPCHSA-N 2 0 345.531 3.367 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040437 1420501688 /nfs/dbraw/zinc/50/16/88/1420501688.db2.gz HYUDSSXQYZHWRA-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716222373 1420571090 /nfs/dbraw/zinc/57/10/90/1420571090.db2.gz YNDSLZKCXVFWQH-DLBZAZTESA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001716297117 1420596959 /nfs/dbraw/zinc/59/69/59/1420596959.db2.gz WWSNKHHGWDCHHP-OXUXSNCKSA-N 2 0 349.563 3.195 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001716309682 1420599908 /nfs/dbraw/zinc/59/99/08/1420599908.db2.gz HENZCJQIWUTLAX-ARJAWSKDSA-N 2 0 347.547 3.095 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001733267539 1429427635 /nfs/dbraw/zinc/42/76/35/1429427635.db2.gz XMMPIICGNNHHRN-XJDXJNMNSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1cc(C)c(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001716447915 1420665155 /nfs/dbraw/zinc/66/51/55/1420665155.db2.gz PJIXOUXJRBHMPL-SFHVURJKSA-N 2 0 345.531 3.081 10 0 EGAERP C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716489107 1420709683 /nfs/dbraw/zinc/70/96/83/1420709683.db2.gz AWBQGGYNSXENOY-QGZVFWFLSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716497878 1420723548 /nfs/dbraw/zinc/72/35/48/1420723548.db2.gz OXVMLPCVYRXSKB-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001716507199 1420738182 /nfs/dbraw/zinc/73/81/82/1420738182.db2.gz BNZNYNSQMFFNBF-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001733269556 1429430775 /nfs/dbraw/zinc/43/07/75/1429430775.db2.gz PGHGLCVHBIYRMP-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001716638120 1420795455 /nfs/dbraw/zinc/79/54/55/1420795455.db2.gz WPKHOLUINCBFHG-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)cc1 ZINC001716671274 1420827365 /nfs/dbraw/zinc/82/73/65/1420827365.db2.gz LVULGQDRLDAROQ-YLJYHZDGSA-N 2 0 343.515 3.157 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CC2)C1 ZINC001716699361 1420851832 /nfs/dbraw/zinc/85/18/32/1420851832.db2.gz NJNCZKHQVPUZII-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001716705954 1420860237 /nfs/dbraw/zinc/86/02/37/1420860237.db2.gz IMHCYPBYIGQDJH-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CCCC(C)C)C2 ZINC001716724169 1420881798 /nfs/dbraw/zinc/88/17/98/1420881798.db2.gz XPIRBUGYUBENKV-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001716822969 1420949271 /nfs/dbraw/zinc/94/92/71/1420949271.db2.gz SUPFQLKZYDPXSI-VQIMIIECSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001716830038 1420957129 /nfs/dbraw/zinc/95/71/29/1420957129.db2.gz HVICZZYYBQPLBP-OAQYLSRUSA-N 2 0 349.563 3.367 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716850415 1420980502 /nfs/dbraw/zinc/98/05/02/1420980502.db2.gz MTGSKTSHIGAXAE-RXVVDRJESA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1C[NH2+]CCCC1CCCC1 ZINC001716984636 1421061554 /nfs/dbraw/zinc/06/15/54/1421061554.db2.gz MAGYDAQYRXVZOP-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001717001027 1421071282 /nfs/dbraw/zinc/07/12/82/1421071282.db2.gz LNUPNDZPKNRUSL-BZSNNMDCSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717002681 1421072168 /nfs/dbraw/zinc/07/21/68/1421072168.db2.gz ZJVWPHBJWYQBKJ-KZNAEPCWSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001717041375 1421095751 /nfs/dbraw/zinc/09/57/51/1421095751.db2.gz FVOQSTPSUSTICM-UVRCQCPESA-N 2 0 347.547 3.138 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001717084692 1421103724 /nfs/dbraw/zinc/10/37/24/1421103724.db2.gz UIZLJPUDAVWXQF-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001717199825 1421166749 /nfs/dbraw/zinc/16/67/49/1421166749.db2.gz UGYKJRIIXUDZDU-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1ccccc1C[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001717202428 1421171155 /nfs/dbraw/zinc/17/11/55/1421171155.db2.gz RZYALZXXHCYQPJ-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001717209504 1421181817 /nfs/dbraw/zinc/18/18/17/1421181817.db2.gz AADGQWGCBVKGMZ-SFHVURJKSA-N 2 0 345.531 3.402 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001717290992 1421237496 /nfs/dbraw/zinc/23/74/96/1421237496.db2.gz SSPNTHVUVVNVGM-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001717297051 1421240598 /nfs/dbraw/zinc/24/05/98/1421240598.db2.gz GMGZJFMFBKKDHC-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001717301201 1421243660 /nfs/dbraw/zinc/24/36/60/1421243660.db2.gz HKFGAQPXJWROJQ-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)[C@@H](C)C1 ZINC001717336890 1421274209 /nfs/dbraw/zinc/27/42/09/1421274209.db2.gz TYDZVSZHVGHRQT-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001717365219 1421300225 /nfs/dbraw/zinc/30/02/25/1421300225.db2.gz KKMIDTGUXXZXHK-YZGWKJHDSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC1CCC1 ZINC001717368150 1421304830 /nfs/dbraw/zinc/30/48/30/1421304830.db2.gz YLEJLKMXSLIMAT-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717446569 1421376120 /nfs/dbraw/zinc/37/61/20/1421376120.db2.gz GGZQRYCOZSMUPH-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001717447270 1421376987 /nfs/dbraw/zinc/37/69/87/1421376987.db2.gz QRECVVXPTIFASF-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717447103 1421377122 /nfs/dbraw/zinc/37/71/22/1421377122.db2.gz OIWYJGGXCSXDRK-WWDZGPRUSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001717526803 1421462422 /nfs/dbraw/zinc/46/24/22/1421462422.db2.gz MQYDIASKASLAJH-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001717558462 1421494610 /nfs/dbraw/zinc/49/46/10/1421494610.db2.gz FLIAVUPRGHUWMB-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001717632927 1421542744 /nfs/dbraw/zinc/54/27/44/1421542744.db2.gz WOJPXEDRWBHZDW-MHACMEGNSA-N 2 0 349.563 3.243 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001717682113 1421564270 /nfs/dbraw/zinc/56/42/70/1421564270.db2.gz CCOOLYYWFUKKDQ-GOSISDBHSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730260 1421596618 /nfs/dbraw/zinc/59/66/18/1421596618.db2.gz SVGQDGGTNCQFLB-UXHICEINSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@@H]12 ZINC001717842703 1421657994 /nfs/dbraw/zinc/65/79/94/1421657994.db2.gz TZTWTZVFFKHPCP-QWFCFKBJSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC001717843709 1421658540 /nfs/dbraw/zinc/65/85/40/1421658540.db2.gz YLZQCKQUMIOHEL-RFWSLAADSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001717852932 1421665279 /nfs/dbraw/zinc/66/52/79/1421665279.db2.gz FSOFYXCPLBEFPZ-IEBWSBKVSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001717893866 1421692271 /nfs/dbraw/zinc/69/22/71/1421692271.db2.gz IEOZKYMCDBLBIE-ROUUACIJSA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001717903652 1421699857 /nfs/dbraw/zinc/69/98/57/1421699857.db2.gz WQZGECAPPUGCHO-QULHZPMSSA-N 2 0 349.563 3.290 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001718004241 1421770714 /nfs/dbraw/zinc/77/07/14/1421770714.db2.gz JJIXEXIBEIVUJL-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001733327925 1429513354 /nfs/dbraw/zinc/51/33/54/1429513354.db2.gz OCWODZAYTKXUQC-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001733329310 1429514817 /nfs/dbraw/zinc/51/48/17/1429514817.db2.gz AWNLKJIUIYZTIR-YLJYHZDGSA-N 2 0 343.515 3.297 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001733329308 1429514864 /nfs/dbraw/zinc/51/48/64/1429514864.db2.gz AWNLKJIUIYZTIR-XLIONFOSSA-N 2 0 343.515 3.297 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001733356303 1429537696 /nfs/dbraw/zinc/53/76/96/1429537696.db2.gz IRRMWBBMTGBURT-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CCCC2)cc1 ZINC001733386932 1429574557 /nfs/dbraw/zinc/57/45/57/1429574557.db2.gz JQHRKJIRBVLONE-FQEVSTJZSA-N 2 0 345.531 3.100 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001733419164 1429624138 /nfs/dbraw/zinc/62/41/38/1429624138.db2.gz TYLGGYGPLGFUOS-RXVVDRJESA-N 2 0 345.531 3.287 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001733427104 1429634729 /nfs/dbraw/zinc/63/47/29/1429634729.db2.gz YZWTYVNPSBLBSF-QFUCXCTJSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001733453148 1429666602 /nfs/dbraw/zinc/66/66/02/1429666602.db2.gz UXJRVOVEXGYQLZ-RTRPANQVSA-N 2 0 346.519 3.163 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001723313003 1424346582 /nfs/dbraw/zinc/34/65/82/1424346582.db2.gz VVLKJGFCMRXWRZ-UXHICEINSA-N 2 0 347.547 3.092 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001723356601 1424370399 /nfs/dbraw/zinc/37/03/99/1424370399.db2.gz RTVLDRPCUOOOOH-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001723608857 1424489763 /nfs/dbraw/zinc/48/97/63/1424489763.db2.gz SCPRFKWNIFHVQL-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001723634749 1424501477 /nfs/dbraw/zinc/50/14/77/1424501477.db2.gz QIFCHRUNBDSLME-YMHTTXFNSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001723679321 1424525975 /nfs/dbraw/zinc/52/59/75/1424525975.db2.gz KDXLRZSKOLBQGI-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001723738192 1424553896 /nfs/dbraw/zinc/55/38/96/1424553896.db2.gz AGBNJWRGGAMPSV-LYSGITKLSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723855170 1424586045 /nfs/dbraw/zinc/58/60/45/1424586045.db2.gz DXJRWCCLSOJMPB-IEBWSBKVSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001723978765 1424617001 /nfs/dbraw/zinc/61/70/01/1424617001.db2.gz YYOGKYWJPQSFNK-XLIONFOSSA-N 2 0 345.531 3.403 10 0 EGAERP C[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175757 1424711175 /nfs/dbraw/zinc/71/11/75/1424711175.db2.gz PQFYCESHLCAYGC-WIYYLYMNSA-N 2 0 343.515 3.032 10 0 EGAERP C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175756 1424711732 /nfs/dbraw/zinc/71/17/32/1424711732.db2.gz PQFYCESHLCAYGC-RXVVDRJESA-N 2 0 343.515 3.032 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001724269093 1424764671 /nfs/dbraw/zinc/76/46/71/1424764671.db2.gz SXTPTJQTMWUHMX-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001724283069 1424771574 /nfs/dbraw/zinc/77/15/74/1424771574.db2.gz FLJSAZJPLJGJHM-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724300992 1424784651 /nfs/dbraw/zinc/78/46/51/1424784651.db2.gz MAZNOUMGOALCIG-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001724659346 1425034689 /nfs/dbraw/zinc/03/46/89/1425034689.db2.gz YBBJPFUKKFMZJH-OKZBNKHCSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001724660013 1425041685 /nfs/dbraw/zinc/04/16/85/1425041685.db2.gz WIWSGTWSRJMSBE-SLFFLAALSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001724708357 1425064446 /nfs/dbraw/zinc/06/44/46/1425064446.db2.gz OPENUHPPTNCJSW-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724753112 1425123099 /nfs/dbraw/zinc/12/30/99/1425123099.db2.gz YACDOTJINOZQNT-GOSISDBHSA-N 2 0 343.515 3.156 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)(C)C1 ZINC001724852834 1425218335 /nfs/dbraw/zinc/21/83/35/1425218335.db2.gz RBOUHOCIRSROAU-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001724890216 1425276655 /nfs/dbraw/zinc/27/66/55/1425276655.db2.gz MTXHHUAIZGPSDP-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001725000841 1425409907 /nfs/dbraw/zinc/40/99/07/1425409907.db2.gz HDHUDYMDJMEXAI-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC2(CC1)CC[NH+](CC1CCC1)CC2 ZINC001725016038 1425435968 /nfs/dbraw/zinc/43/59/68/1425435968.db2.gz AIHNORPGKXIAOM-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001725041305 1425467399 /nfs/dbraw/zinc/46/73/99/1425467399.db2.gz JDZSXFKQWCLKTR-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001725141842 1425621158 /nfs/dbraw/zinc/62/11/58/1425621158.db2.gz GXMCDZZEOTUQIM-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC1CC[NH+](CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C)CC1 ZINC001725146596 1425628281 /nfs/dbraw/zinc/62/82/81/1425628281.db2.gz LATDPMLGQMWLDZ-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccccc21 ZINC001725149075 1425632971 /nfs/dbraw/zinc/63/29/71/1425632971.db2.gz YCXVFSVVSVQQCQ-LJQANCHMSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001725166402 1425670974 /nfs/dbraw/zinc/67/09/74/1425670974.db2.gz NINKGCMDNIETTQ-KRWDZBQOSA-N 2 0 345.531 3.231 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccccc1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725231462 1425805883 /nfs/dbraw/zinc/80/58/83/1425805883.db2.gz ADAYLXWMLQBBNO-VQTJNVASSA-N 2 0 345.531 3.244 10 0 EGAERP CCc1cccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001725392198 1426037580 /nfs/dbraw/zinc/03/75/80/1426037580.db2.gz GJXKIVCUQJLMFW-FXAWDEMLSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001725425735 1426085871 /nfs/dbraw/zinc/08/58/71/1426085871.db2.gz NSSRBNIONKARMO-UHFFFAOYSA-N 2 0 343.515 3.251 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCC2CCCC2)CC[N@@H+]1C ZINC001725488943 1426165959 /nfs/dbraw/zinc/16/59/59/1426165959.db2.gz JFUUSKMVVNJIHW-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001725611899 1426271996 /nfs/dbraw/zinc/27/19/96/1426271996.db2.gz QSJZTNMPJUUBLX-LMNJBCLMSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001725621749 1426286560 /nfs/dbraw/zinc/28/65/60/1426286560.db2.gz HMVNJYSMBRKZBB-SJLPKXTDSA-N 2 0 347.547 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)[C@H]1C ZINC001725622345 1426288253 /nfs/dbraw/zinc/28/82/53/1426288253.db2.gz HGIPHNBVFDQFGI-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1cccc(F)c1 ZINC001725681922 1426369538 /nfs/dbraw/zinc/36/95/38/1426369538.db2.gz YQZDYSQNUIMLRV-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001725749319 1426427532 /nfs/dbraw/zinc/42/75/32/1426427532.db2.gz ZQBMRBXUYVICDQ-ZWKOTPCHSA-N 2 0 337.552 3.194 10 0 EGAERP CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001725761748 1426442215 /nfs/dbraw/zinc/44/22/15/1426442215.db2.gz FUSLYFPUKMVCTE-SCTDSRPQSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001731262496 1427211038 /nfs/dbraw/zinc/21/10/38/1427211038.db2.gz JFWPWOXOKDWFRS-YSIASYRMSA-N 2 0 345.531 3.306 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001731377923 1427312281 /nfs/dbraw/zinc/31/22/81/1427312281.db2.gz OJUJXEJVBGEXPU-WYNBNGFRSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001731425528 1427406787 /nfs/dbraw/zinc/40/67/87/1427406787.db2.gz NXCDALCUIGOCPA-PMACEKPBSA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731513297 1427501292 /nfs/dbraw/zinc/50/12/92/1427501292.db2.gz BKSYSLZCETWVNE-SLVIYJBESA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001731540672 1427546576 /nfs/dbraw/zinc/54/65/76/1427546576.db2.gz BMJLHFZQCNRQES-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001731541834 1427550707 /nfs/dbraw/zinc/55/07/07/1427550707.db2.gz DLVGUGFUXDWQNL-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001731544556 1427560893 /nfs/dbraw/zinc/56/08/93/1427560893.db2.gz WFFCNFYARQTHPK-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC=C(C)C ZINC001731551090 1427571393 /nfs/dbraw/zinc/57/13/93/1427571393.db2.gz JLZZYISVGJWQFX-OALUTQOASA-N 2 0 335.536 3.140 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC=C(C)C ZINC001731551091 1427571757 /nfs/dbraw/zinc/57/17/57/1427571757.db2.gz JLZZYISVGJWQFX-RBUKOAKNSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001731572448 1427614782 /nfs/dbraw/zinc/61/47/82/1427614782.db2.gz XTPONTIZGXBSIF-DZIBYMRMSA-N 2 0 345.531 3.425 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731591462 1427633541 /nfs/dbraw/zinc/63/35/41/1427633541.db2.gz FYWBIBXPTIEYDM-XLIONFOSSA-N 2 0 345.531 3.277 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001731639317 1427697740 /nfs/dbraw/zinc/69/77/40/1427697740.db2.gz FWMCNRJEGFTTLF-UZLBHIALSA-N 2 0 343.515 3.033 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001731679108 1427727409 /nfs/dbraw/zinc/72/74/09/1427727409.db2.gz HDRJOIKFENNXSD-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692945 1427741867 /nfs/dbraw/zinc/74/18/67/1427741867.db2.gz QCLQGPINRPAYOM-RTBURBONSA-N 2 0 349.563 3.458 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001731701198 1427753848 /nfs/dbraw/zinc/75/38/48/1427753848.db2.gz VCSGZCHHTOQHHB-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001731837911 1428055289 /nfs/dbraw/zinc/05/52/89/1428055289.db2.gz IVLFPMDPZRMDRZ-PRPIBZDOSA-N 2 0 343.515 3.299 10 0 EGAERP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731973655 1428190426 /nfs/dbraw/zinc/19/04/26/1428190426.db2.gz HSJDTCLOFWRIRG-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001733602739 1429809731 /nfs/dbraw/zinc/80/97/31/1429809731.db2.gz RFGRVUWCIFXMBR-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001733682761 1429896547 /nfs/dbraw/zinc/89/65/47/1429896547.db2.gz VTGJDWDXMAEWJH-KRWDZBQOSA-N 2 0 343.515 3.404 10 0 EGAERP CN(CCC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001733774409 1430014745 /nfs/dbraw/zinc/01/47/45/1430014745.db2.gz RDLFVHHLWFPTFC-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001733781737 1430046857 /nfs/dbraw/zinc/04/68/57/1430046857.db2.gz QFEHNTYFBBCMQQ-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733802660 1430070443 /nfs/dbraw/zinc/07/04/43/1430070443.db2.gz HQQOEVSSSLVEKD-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1 ZINC001733860689 1437690948 /nfs/dbraw/zinc/69/09/48/1437690948.db2.gz XGDCUCTTXOJCBS-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001733911064 1437729379 /nfs/dbraw/zinc/72/93/79/1437729379.db2.gz ITUDXFXIBHVFHF-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CC[N@H+](CCC(C)C)CC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001733918448 1437731664 /nfs/dbraw/zinc/73/16/64/1437731664.db2.gz OFJFLTQZUUXHLE-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001733992325 1437786887 /nfs/dbraw/zinc/78/68/87/1437786887.db2.gz IUYWMYZHRYZHMD-HZPDHXFCSA-N 2 0 331.504 3.035 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001733995639 1437789818 /nfs/dbraw/zinc/78/98/18/1437789818.db2.gz BZGRWYQGHKTVAD-ROUUACIJSA-N 2 0 345.531 3.098 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001733999110 1437792147 /nfs/dbraw/zinc/79/21/47/1437792147.db2.gz SJKWJXZNOYQYMT-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001734019305 1437808693 /nfs/dbraw/zinc/80/86/93/1437808693.db2.gz BWOWXSHCDFHTRE-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001734019303 1437808805 /nfs/dbraw/zinc/80/88/05/1437808805.db2.gz BWOWXSHCDFHTRE-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CC1CCC(C)(C)CC1 ZINC001734056954 1437848570 /nfs/dbraw/zinc/84/85/70/1437848570.db2.gz ADYJQRFOKFTEBH-UTKZUKDTSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001734099197 1437883295 /nfs/dbraw/zinc/88/32/95/1437883295.db2.gz HTOWVKZDXOXLFQ-CEXWTWQISA-N 2 0 337.552 3.268 10 0 EGAERP CC1CC(C[N@@H+]2CCCCC[C@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001734104451 1437889997 /nfs/dbraw/zinc/88/99/97/1437889997.db2.gz UFDWHNPBNPOHAB-ACBHZAAOSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001734118727 1437900238 /nfs/dbraw/zinc/90/02/38/1437900238.db2.gz IBAYNAJHHMYWQX-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001734150029 1437917473 /nfs/dbraw/zinc/91/74/73/1437917473.db2.gz OHJFLMDYLHOOIP-LJQANCHMSA-N 2 0 345.531 3.088 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)C3CC[NH+](C(C)C)CC3)C2)C1 ZINC001734196622 1437937535 /nfs/dbraw/zinc/93/75/35/1437937535.db2.gz MXXAZSCFQSSUGJ-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001734197094 1437938660 /nfs/dbraw/zinc/93/86/60/1437938660.db2.gz VYLBGURWNNSFAD-KDURUIRLSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001734308890 1438040442 /nfs/dbraw/zinc/04/04/42/1438040442.db2.gz OQKIWGCCCOJONX-WOJBJXKFSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001734332168 1438055446 /nfs/dbraw/zinc/05/54/46/1438055446.db2.gz RVBHFOMTOQIXKL-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001734441420 1438103557 /nfs/dbraw/zinc/10/35/57/1438103557.db2.gz SUNOKMOOFXKZFN-GNBUJSLZSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001734447537 1438107906 /nfs/dbraw/zinc/10/79/06/1438107906.db2.gz ZQQRXJQMHXPETP-ZJOUEHCJSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c1 ZINC001734456900 1438114414 /nfs/dbraw/zinc/11/44/14/1438114414.db2.gz JEIWZYVNOMPFSA-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001734460095 1438117166 /nfs/dbraw/zinc/11/71/66/1438117166.db2.gz OEURNIYYNFAASZ-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734482345 1438127753 /nfs/dbraw/zinc/12/77/53/1438127753.db2.gz OBRDYLCOUIJWKI-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001734496006 1438132512 /nfs/dbraw/zinc/13/25/12/1438132512.db2.gz NGTMTWJGXGPVRN-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001734574686 1438168142 /nfs/dbraw/zinc/16/81/42/1438168142.db2.gz CNOREZKTGBRAKL-GOSISDBHSA-N 2 0 333.520 3.282 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001734577666 1438170364 /nfs/dbraw/zinc/17/03/64/1438170364.db2.gz KSKRCWITFOWNQG-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001734578185 1438170814 /nfs/dbraw/zinc/17/08/14/1438170814.db2.gz ROBBXDPXSIDKCY-YLJYHZDGSA-N 2 0 345.531 3.306 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001734596753 1438181163 /nfs/dbraw/zinc/18/11/63/1438181163.db2.gz GGYXFDYEMSGYAM-UHFFFAOYSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001734604616 1438185103 /nfs/dbraw/zinc/18/51/03/1438185103.db2.gz SHNSHIAZUOUDNS-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001734636933 1438196872 /nfs/dbraw/zinc/19/68/72/1438196872.db2.gz MVKUISMDPGUTTL-GOSISDBHSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001750927152 1440111458 /nfs/dbraw/zinc/11/14/58/1440111458.db2.gz IYGNDROWCWEIKP-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+]C1CCC2(CC1)OCCO2 ZINC000154955594 201396390 /nfs/dbraw/zinc/39/63/90/201396390.db2.gz PWUPMUSNXSWATC-UHFFFAOYSA-N 2 0 330.472 3.058 10 0 EGAERP CCCN(C(=O)CC[C@@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193301669 240096781 /nfs/dbraw/zinc/09/67/81/240096781.db2.gz VENSOCLBRHWLJY-IEBWSBKVSA-N 2 0 331.504 3.017 10 0 EGAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000415028433 309115130 /nfs/dbraw/zinc/11/51/30/309115130.db2.gz YLGQEWVCLQFOIQ-HAQNSBGRSA-N 2 0 329.257 3.443 10 0 EGAERP c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000071825213 203121116 /nfs/dbraw/zinc/12/11/16/203121116.db2.gz JAQQSNXYJXMWLY-CQSZACIVSA-N 2 0 336.439 3.397 10 0 EGAERP COc1ccc(Br)cc1CN1C[C@@H](C[NH3+])CC[C@@H]1C ZINC000042427542 204097635 /nfs/dbraw/zinc/09/76/35/204097635.db2.gz UIOSEHZBGITLHW-NWDGAFQWSA-N 2 0 327.266 3.017 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1NC(C)=O ZINC000125424082 205009969 /nfs/dbraw/zinc/00/99/69/205009969.db2.gz DBWLFSYNEOAQQQ-AWEZNQCLSA-N 2 0 333.476 3.036 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130484474 205242578 /nfs/dbraw/zinc/24/25/78/205242578.db2.gz HFNOPCVMNUXISO-RTWAWAEBSA-N 2 0 329.532 3.330 10 0 EGAERP [NH3+]Cc1ccc2c(c1)CCCN2C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000377388206 169019026 /nfs/dbraw/zinc/01/90/26/169019026.db2.gz CYWHMWUQYFQIPI-UHFFFAOYSA-N 2 0 349.478 3.334 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000247365359 285096639 /nfs/dbraw/zinc/09/66/39/285096639.db2.gz KKDOGCRGBUCIEA-FXAWDEMLSA-N 2 0 345.531 3.472 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268961045 255504371 /nfs/dbraw/zinc/50/43/71/255504371.db2.gz XGMSHSKLGUUKLK-YWZLYKJASA-N 2 0 327.472 3.334 10 0 EGAERP COC(C)(C)CC[N@H+](C)[C@@H]1CCC[NH+](CCC(C)(C)OC)CC1 ZINC000346440175 292053921 /nfs/dbraw/zinc/05/39/21/292053921.db2.gz WUMOQEWCJRKWPA-QGZVFWFLSA-N 2 0 328.541 3.403 10 0 EGAERP Cc1ccc2nc(CN(C)[C@@H]3CC[N@H+](Cc4ccccc4)C3)cn2c1 ZINC000342795598 141148534 /nfs/dbraw/zinc/14/85/34/141148534.db2.gz XOFZCVBBCDTKNA-HXUWFJFHSA-N 2 0 334.467 3.349 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000344550001 141171903 /nfs/dbraw/zinc/17/19/03/141171903.db2.gz QTBADUCVWTZBEV-RXVVDRJESA-N 3 0 329.532 3.492 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)OC(C)(C)C ZINC000352962577 141278777 /nfs/dbraw/zinc/27/87/77/141278777.db2.gz DCQWLMFRWQXSFU-WMZOPIPTSA-N 2 0 332.488 3.218 10 0 EGAERP COc1cc(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000195004998 153370725 /nfs/dbraw/zinc/37/07/25/153370725.db2.gz DLMDCHNLOWSKMP-GOSISDBHSA-N 2 0 326.440 3.013 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000122796993 162252084 /nfs/dbraw/zinc/25/20/84/162252084.db2.gz GTZDCQWIPLVPJC-RXVVDRJESA-N 2 0 344.547 3.004 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000122796805 162252674 /nfs/dbraw/zinc/25/26/74/162252674.db2.gz GTZDCQWIPLVPJC-GHTZIAJQSA-N 2 0 344.547 3.004 10 0 EGAERP c1cnn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248400533 163000332 /nfs/dbraw/zinc/00/03/32/163000332.db2.gz LCJDYTFVAIFSAG-PCCBWWKXSA-N 2 0 338.499 3.164 10 0 EGAERP OCCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248410803 163001891 /nfs/dbraw/zinc/00/18/91/163001891.db2.gz YIPJPIDFGNKIBG-PWRODBHTSA-N 2 0 330.516 3.429 10 0 EGAERP CC[N@@H+]1CCC[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248880154 163040941 /nfs/dbraw/zinc/04/09/41/163040941.db2.gz KLIJHZMILORTMQ-MXEMCNAFSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000344132468 164110658 /nfs/dbraw/zinc/11/06/58/164110658.db2.gz SKAKTLSVUYPEGF-PXNSSMCTSA-N 2 0 343.515 3.019 10 0 EGAERP CC[NH+](CC)CC1CCN([C@@H](C)c2nnnn2C2CCCCC2)CC1 ZINC000345866219 164282784 /nfs/dbraw/zinc/28/27/84/164282784.db2.gz UMYMJXFZUKOZAA-INIZCTEOSA-N 2 0 348.539 3.293 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C)CC12CCCCC2 ZINC000346170986 164355733 /nfs/dbraw/zinc/35/57/33/164355733.db2.gz NMKBYUJRZMWQMG-UHFFFAOYSA-N 2 0 339.487 3.026 10 0 EGAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346229516 164360536 /nfs/dbraw/zinc/36/05/36/164360536.db2.gz VGYBIYVMRRHAPH-INIZCTEOSA-N 2 0 330.501 3.098 10 0 EGAERP C[C@H]1C[C@H](C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350317719 165029843 /nfs/dbraw/zinc/02/98/43/165029843.db2.gz MWQFTHAERNJUAZ-PKOBYXMFSA-N 2 0 331.504 3.435 10 0 EGAERP c1c(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000355207002 166133497 /nfs/dbraw/zinc/13/34/97/166133497.db2.gz WNOQDXXJEZAIER-SFHVURJKSA-N 2 0 347.466 3.083 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000355598375 166256190 /nfs/dbraw/zinc/25/61/90/166256190.db2.gz JGZJVKUIFPJWBU-AOIWGVFYSA-N 2 0 348.535 3.016 10 0 EGAERP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000359226878 167101225 /nfs/dbraw/zinc/10/12/25/167101225.db2.gz GQZWEGLPIPMRCR-SFTDATJTSA-N 2 0 339.483 3.135 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2cccc(OC)c2)CC1 ZINC000362240994 167708062 /nfs/dbraw/zinc/70/80/62/167708062.db2.gz YUJWRYYUWNHOCO-UHFFFAOYSA-N 2 0 347.503 3.078 10 0 EGAERP Cn1nccc1[C@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000366732347 168133739 /nfs/dbraw/zinc/13/37/39/168133739.db2.gz WKHISZKETOKOSM-WMZOPIPTSA-N 2 0 344.478 3.437 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000367600696 168248354 /nfs/dbraw/zinc/24/83/54/168248354.db2.gz ZIRSUFSYBARSLR-ACRUOGEOSA-N 2 0 330.516 3.488 10 0 EGAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268875945 274161876 /nfs/dbraw/zinc/16/18/76/274161876.db2.gz DTWGKAKYOIHGQA-HNNXBMFYSA-N 2 0 345.487 3.019 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282988832 275689254 /nfs/dbraw/zinc/68/92/54/275689254.db2.gz FJFIEGUKZQFGTA-JMMIECQRSA-N 2 0 328.500 3.146 10 0 EGAERP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182075106 276022826 /nfs/dbraw/zinc/02/28/26/276022826.db2.gz IQOUCWUAHQKQIF-APWZRJJASA-N 2 0 340.458 3.488 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[NH+](C)C ZINC000289729201 276384826 /nfs/dbraw/zinc/38/48/26/276384826.db2.gz MKVISDMMKHZVMV-GFCCVEGCSA-N 2 0 331.273 3.451 10 0 EGAERP C[NH+](C)CC1CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000119963297 307502060 /nfs/dbraw/zinc/50/20/60/307502060.db2.gz LYQRIFWSDVHGOA-UHFFFAOYSA-N 2 0 343.515 3.133 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000414127673 309062503 /nfs/dbraw/zinc/06/25/03/309062503.db2.gz SJDIXOASHWIAEG-AWEZNQCLSA-N 2 0 331.435 3.012 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275478929 308067309 /nfs/dbraw/zinc/06/73/09/308067309.db2.gz JSOVPKUPJKJQBO-NRSPTQNISA-N 2 0 329.532 3.186 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000292846708 308072009 /nfs/dbraw/zinc/07/20/09/308072009.db2.gz QXXKYXLBHOPWHD-IBGZPJMESA-N 2 0 329.419 3.305 10 0 EGAERP C[C@@H]1C[C@H](C[NH+]2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414687396 309095572 /nfs/dbraw/zinc/09/55/72/309095572.db2.gz HGCPWGRBPKIDIK-IEBWSBKVSA-N 2 0 327.516 3.149 10 0 EGAERP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414814230 309103270 /nfs/dbraw/zinc/10/32/70/309103270.db2.gz NPQYUSDGSXTMCX-HNNXBMFYSA-N 2 0 336.439 3.190 10 0 EGAERP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OCC(F)(F)F ZINC000414938930 309110188 /nfs/dbraw/zinc/11/01/88/309110188.db2.gz ITPWMAVWEKYHKL-TZMCWYRMSA-N 2 0 346.393 3.114 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1OCc1ccccc1 ZINC000414964331 309111822 /nfs/dbraw/zinc/11/18/22/309111822.db2.gz UVCGXZPGSCFOCQ-VQIMIIECSA-N 2 0 340.467 3.362 10 0 EGAERP Clc1cccc(Cl)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415057702 309117257 /nfs/dbraw/zinc/11/72/57/309117257.db2.gz SHBAXYGLMKDMSK-UHFFFAOYSA-N 2 0 342.314 3.299 10 0 EGAERP COc1ccc([C@@H](CNC[C@H]([NH3+])CC(C)C)[NH+]2CCCCC2)cc1 ZINC000415085390 309119305 /nfs/dbraw/zinc/11/93/05/309119305.db2.gz QCGYZQSDIJTLMT-UYAOXDASSA-N 2 0 333.520 3.185 10 0 EGAERP COc1ccc([C@H](CNC[C@@H]([NH3+])CC(C)C)[NH+]2CCCCC2)cc1 ZINC000415085387 309119425 /nfs/dbraw/zinc/11/94/25/309119425.db2.gz QCGYZQSDIJTLMT-ICSRJNTNSA-N 2 0 333.520 3.185 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000415894943 309146489 /nfs/dbraw/zinc/14/64/89/309146489.db2.gz AMOWYJPEQFXSAT-KRWDZBQOSA-N 2 0 332.492 3.038 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCCC[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000415896219 309146552 /nfs/dbraw/zinc/14/65/52/309146552.db2.gz CZQQMIJURKIUOP-IRXDYDNUSA-N 2 0 346.519 3.286 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000415940703 309150191 /nfs/dbraw/zinc/15/01/91/309150191.db2.gz FMGFMGFAKLFAAE-JKSUJKDBSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000420984412 309305864 /nfs/dbraw/zinc/30/58/64/309305864.db2.gz TUCCKEIBCQPQET-SFHVURJKSA-N 2 0 345.531 3.248 10 0 EGAERP Cc1c(Cl)c(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)nn1C ZINC000421370169 309321289 /nfs/dbraw/zinc/32/12/89/309321289.db2.gz WNSCLBKUYVBITR-UHFFFAOYSA-N 2 0 326.916 3.230 10 0 EGAERP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422701612 309363780 /nfs/dbraw/zinc/36/37/80/309363780.db2.gz DLKAMCVRXHBVMP-SLFFLAALSA-N 2 0 349.563 3.314 10 0 EGAERP COc1ccc(CCC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422711759 309364505 /nfs/dbraw/zinc/36/45/05/309364505.db2.gz GECJQKMPFFVVKJ-CQSZACIVSA-N 2 0 343.471 3.149 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422771129 309367585 /nfs/dbraw/zinc/36/75/85/309367585.db2.gz VKXGIECCNVCHBF-IRXDYDNUSA-N 2 0 332.488 3.010 10 0 EGAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422789236 309368236 /nfs/dbraw/zinc/36/82/36/309368236.db2.gz RUGQBCBWBSMPMF-XMSQKQJNSA-N 2 0 337.511 3.331 10 0 EGAERP COc1ccc([C@H](NCCC[NH+]2CCC(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422794727 309368572 /nfs/dbraw/zinc/36/85/72/309368572.db2.gz ZEMPTRYXEJDVOU-RTWAWAEBSA-N 2 0 345.531 3.200 10 0 EGAERP COc1ccc([C@@H](NCCC[NH+]2CCC(C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422794725 309368610 /nfs/dbraw/zinc/36/86/10/309368610.db2.gz ZEMPTRYXEJDVOU-NHCUHLMSSA-N 2 0 345.531 3.200 10 0 EGAERP COc1ccc([C@H](NC[C@H](CC(C)C)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422819980 309370173 /nfs/dbraw/zinc/37/01/73/309370173.db2.gz OQXJFPXRRWYDGX-SXLOBPIMSA-N 2 0 333.520 3.054 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422866347 309372670 /nfs/dbraw/zinc/37/26/70/309372670.db2.gz QEPMNUONYOSAOO-ZHALLVOQSA-N 2 0 332.488 3.017 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875330 309373220 /nfs/dbraw/zinc/37/32/20/309373220.db2.gz DTYJLRBCYFHNRS-GUDVDZBRSA-N 2 0 341.524 3.317 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422876107 309373489 /nfs/dbraw/zinc/37/34/89/309373489.db2.gz PUSWFMABSJUSJV-INDMIFKZSA-N 2 0 343.515 3.174 10 0 EGAERP [NH3+][C@H]1CCCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900639 309374968 /nfs/dbraw/zinc/37/49/68/309374968.db2.gz AQFWBZJWBUHOAU-OSYNSWQESA-N 2 0 327.516 3.432 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903971 309375347 /nfs/dbraw/zinc/37/53/47/309375347.db2.gz GEJDFMRAQUBXNA-YZVOILCLSA-N 2 0 337.458 3.036 10 0 EGAERP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]1CCCC[NH2+]1 ZINC000422956027 309378067 /nfs/dbraw/zinc/37/80/67/309378067.db2.gz OEWCBSGSAAVYGR-WOCWXWTJSA-N 2 0 331.504 3.238 10 0 EGAERP CC(C)N1CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423039857 309382400 /nfs/dbraw/zinc/38/24/00/309382400.db2.gz GBIXAICHDLYVRD-JBBXEZCESA-N 2 0 339.886 3.200 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]CC1 ZINC000423052953 309383152 /nfs/dbraw/zinc/38/31/52/309383152.db2.gz ROEXLLGQASBICY-CYBMUJFWSA-N 2 0 340.414 3.035 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423060847 309383775 /nfs/dbraw/zinc/38/37/75/309383775.db2.gz PIQVIWSGODOXEU-OAHLLOKOSA-N 2 0 348.384 3.220 10 0 EGAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094718 309385748 /nfs/dbraw/zinc/38/57/48/309385748.db2.gz KPIZJTYLMNCRCQ-MANSERQUSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423143595 309388209 /nfs/dbraw/zinc/38/82/09/309388209.db2.gz XLXWJPKMJPTISV-NSISKUIASA-N 2 0 333.520 3.198 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255041 309392486 /nfs/dbraw/zinc/39/24/86/309392486.db2.gz ANFHLCQRHPGEOG-ZFWWWQNUSA-N 2 0 347.894 3.269 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423260345 309392816 /nfs/dbraw/zinc/39/28/16/309392816.db2.gz QCBVQGSHSDQHRS-HZPDHXFCSA-N 2 0 332.492 3.257 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(C(=O)N(C)C)cc1 ZINC000423291972 309394067 /nfs/dbraw/zinc/39/40/67/309394067.db2.gz KURLWIJXIFMUSG-LSDHHAIUSA-N 2 0 325.456 3.259 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423291962 309394081 /nfs/dbraw/zinc/39/40/81/309394081.db2.gz KTRAWEQPJOJROJ-IRXDYDNUSA-N 2 0 339.483 3.394 10 0 EGAERP CCC([NH3+])(CC)C[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423290255 309394100 /nfs/dbraw/zinc/39/41/00/309394100.db2.gz CNWIABVOVIZZOB-CYBMUJFWSA-N 2 0 325.294 3.414 10 0 EGAERP NC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518959 309404537 /nfs/dbraw/zinc/40/45/37/309404537.db2.gz CVOCRPNTHMLEAK-UXHICEINSA-N 2 0 327.516 3.148 10 0 EGAERP CC(C)(C)N1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000424110209 309429726 /nfs/dbraw/zinc/42/97/26/309429726.db2.gz CFCKSVGSJRQVLV-IBGZPJMESA-N 2 0 343.515 3.162 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2CC[NH+](C3CCCC3)CC2)CCCCC1 ZINC000426710725 309513370 /nfs/dbraw/zinc/51/33/70/309513370.db2.gz XLSUVEOTFBGFQM-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1F ZINC000449165593 310041752 /nfs/dbraw/zinc/04/17/52/310041752.db2.gz AHSWFUZDKAGUQC-UHFFFAOYSA-N 2 0 333.495 3.174 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123155 311664908 /nfs/dbraw/zinc/66/49/08/311664908.db2.gz NTMXRFYHIMMZEL-NXOAAHMSSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000506473265 312049813 /nfs/dbraw/zinc/04/98/13/312049813.db2.gz XBYLSIFIPWYOEW-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000513009092 312199809 /nfs/dbraw/zinc/19/98/09/312199809.db2.gz OMFOIWKBXUTKOS-PEZBUJJGSA-N 2 0 335.923 3.359 10 0 EGAERP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)O[C@@H](C)C2 ZINC000513754770 312217485 /nfs/dbraw/zinc/21/74/85/312217485.db2.gz NIOIAUHYPYPSQG-JEDBISTDSA-N 2 0 344.499 3.371 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000516570627 312330340 /nfs/dbraw/zinc/33/03/40/312330340.db2.gz CNHQJVIGCMENLE-SWLSCSKDSA-N 2 0 329.469 3.053 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1ccnc(C)c1 ZINC000527637275 312894599 /nfs/dbraw/zinc/89/45/99/312894599.db2.gz DTTCKEOIEVFQDZ-UHFFFAOYSA-N 2 0 327.472 3.400 10 0 EGAERP OC1(C[N@@H+]2CC[C@@H](C[NH+]3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385694 313080603 /nfs/dbraw/zinc/08/06/03/313080603.db2.gz DQCVTZKXIUQOQC-KPQWGBOZSA-N 2 0 342.527 3.493 10 0 EGAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528577014 313122243 /nfs/dbraw/zinc/12/22/43/313122243.db2.gz FKRRWSXGDGKGLS-SFHVURJKSA-N 2 0 346.519 3.466 10 0 EGAERP CC(C)Oc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240387 313504335 /nfs/dbraw/zinc/50/43/35/313504335.db2.gz LIPLMRPMJJGAFQ-HXUWFJFHSA-N 2 0 332.488 3.064 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000536996288 314155968 /nfs/dbraw/zinc/15/59/68/314155968.db2.gz RQSYQVSBZCIXDB-OAHLLOKOSA-N 2 0 336.476 3.489 10 0 EGAERP C[C@H](CCc1ccccc1)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000539382536 314310176 /nfs/dbraw/zinc/31/01/76/314310176.db2.gz OBQBWIBNZSPOTF-IFMALSPDSA-N 2 0 343.559 3.357 10 0 EGAERP C[C@@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCCC1 ZINC000543407614 314626698 /nfs/dbraw/zinc/62/66/98/314626698.db2.gz VZLJCITUBURVBU-QGZVFWFLSA-N 2 0 330.520 3.282 10 0 EGAERP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000549614135 315098976 /nfs/dbraw/zinc/09/89/76/315098976.db2.gz MZPWIZUXGRZTLT-UXPWSPDFSA-N 2 0 339.483 3.304 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000552046859 315192891 /nfs/dbraw/zinc/19/28/91/315192891.db2.gz UYGIOLUVNKXNBG-LNRXMEIDSA-N 2 0 341.543 3.013 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@H]2CCC[C@H]21 ZINC000552066909 315195099 /nfs/dbraw/zinc/19/50/99/315195099.db2.gz UIHOGEBNLIFBQE-YZGWKJHDSA-N 2 0 347.934 3.161 10 0 EGAERP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000565093689 316263798 /nfs/dbraw/zinc/26/37/98/316263798.db2.gz OQYHYMWWEQEVSL-VFNWGFHPSA-N 2 0 340.442 3.433 10 0 EGAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000567729040 316665280 /nfs/dbraw/zinc/66/52/80/316665280.db2.gz JVEMNZSIPLACPF-IBGZPJMESA-N 2 0 345.531 3.313 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC(C)=C[C@H](C)C3)cn2)CC1 ZINC000571334819 317184589 /nfs/dbraw/zinc/18/45/89/317184589.db2.gz UODOYPIQRMGNAV-PXNSSMCTSA-N 2 0 342.531 3.306 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[C@@H]21 ZINC000572106168 317291635 /nfs/dbraw/zinc/29/16/35/317291635.db2.gz DOWRVBGKEJMSON-KNTRFNDTSA-N 2 0 331.479 3.114 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](Cc2c(C)nn(C)c2OC)CC1 ZINC000180789271 323455756 /nfs/dbraw/zinc/45/57/56/323455756.db2.gz ZRJCGXBUGDATOR-UHFFFAOYSA-N 2 0 336.524 3.071 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000398032833 324296335 /nfs/dbraw/zinc/29/63/35/324296335.db2.gz OBLNSSBICIKZJH-QMMLZNLJSA-N 2 0 336.479 3.490 10 0 EGAERP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000183680515 455320648 /nfs/dbraw/zinc/32/06/48/455320648.db2.gz RBLQVODHDWFVPA-INIZCTEOSA-N 2 0 332.488 3.492 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)c2ccccc2)CC1(C)C ZINC000623574685 460619819 /nfs/dbraw/zinc/61/98/19/460619819.db2.gz UNAQFITWMSHYAU-GUDVDZBRSA-N 2 0 343.515 3.190 10 0 EGAERP Cc1cc(C(F)(F)F)ccc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000190840743 455389514 /nfs/dbraw/zinc/38/95/14/455389514.db2.gz KTPBJTMXKXBRFT-UHFFFAOYSA-N 2 0 330.394 3.216 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1F ZINC000130314713 454189265 /nfs/dbraw/zinc/18/92/65/454189265.db2.gz BYQGRXCCDXSSPL-CZAAIQMYSA-N 2 0 342.458 3.359 10 0 EGAERP Cn1ncc2c1CCC[C@H]2[NH2+]C[C@H]1CCCCN1Cc1ccccc1 ZINC000119693250 454213334 /nfs/dbraw/zinc/21/33/34/454213334.db2.gz WHKPXWKOFLQUAP-UYAOXDASSA-N 2 0 338.499 3.442 10 0 EGAERP C[C@@H](C[NH2+]CC1CC[NH+](CCO)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000095443063 454213733 /nfs/dbraw/zinc/21/37/33/454213733.db2.gz GWVFAFGVBMKGIA-GOSISDBHSA-N 2 0 346.559 3.457 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC[C@@H]1CCCOC1 ZINC000623591980 460629287 /nfs/dbraw/zinc/62/92/87/460629287.db2.gz QRGOBPGMOULXOS-IBGZPJMESA-N 2 0 332.488 3.068 10 0 EGAERP Cc1cccc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)n1 ZINC000133137085 454396495 /nfs/dbraw/zinc/39/64/95/454396495.db2.gz ZTPZRWDKNDJPAZ-UHFFFAOYSA-N 2 0 338.499 3.210 10 0 EGAERP C[N@@H+](Cc1ccco1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121158286 454399899 /nfs/dbraw/zinc/39/98/99/454399899.db2.gz PABSHPGFNOURRD-FQEVSTJZSA-N 2 0 328.456 3.157 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000122692886 454559019 /nfs/dbraw/zinc/55/90/19/454559019.db2.gz UIXYGSANPTUWQV-GOSISDBHSA-N 3 0 347.547 3.400 10 0 EGAERP C[C@@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CCN1C ZINC000123329864 454625470 /nfs/dbraw/zinc/62/54/70/454625470.db2.gz IPYFOXMBTKSSAH-TZMCWYRMSA-N 2 0 341.858 3.222 10 0 EGAERP C[C@@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+]1C ZINC000123452771 454638483 /nfs/dbraw/zinc/63/84/83/454638483.db2.gz IDFCSUIWQLAFCQ-HUUCEWRRSA-N 2 0 343.471 3.049 10 0 EGAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@H](C)c2ccc(F)c(F)c2)ncn1 ZINC000124570866 454748599 /nfs/dbraw/zinc/74/85/99/454748599.db2.gz CHKVUTUKCNQFHS-TZMCWYRMSA-N 2 0 347.413 3.116 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163215912 454830815 /nfs/dbraw/zinc/83/08/15/454830815.db2.gz ZSLNGPJCELFFLF-DZGCQCFKSA-N 2 0 347.894 3.222 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177238563 454841445 /nfs/dbraw/zinc/84/14/45/454841445.db2.gz LOVZQCMPKQNJDJ-LJQANCHMSA-N 2 0 335.536 3.163 10 0 EGAERP CC(C)[NH+]1CCC(Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC1 ZINC000170594019 454937093 /nfs/dbraw/zinc/93/70/93/454937093.db2.gz GOJPDNGPNOREFN-UHFFFAOYSA-N 2 0 345.531 3.176 10 0 EGAERP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155149944 454967740 /nfs/dbraw/zinc/96/77/40/454967740.db2.gz AFHDGNREAYHFAJ-NHCUHLMSSA-N 2 0 330.516 3.178 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000170941968 455002764 /nfs/dbraw/zinc/00/27/64/455002764.db2.gz BJPSRZMXVVJSJK-KRWDZBQOSA-N 2 0 326.484 3.364 10 0 EGAERP O[C@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180148966 455139587 /nfs/dbraw/zinc/13/95/87/455139587.db2.gz KVOBSRGMDJXRRA-WNTWWTRPSA-N 2 0 328.500 3.323 10 0 EGAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@@](C)(O)c1ccccc1 ZINC000245445653 455303077 /nfs/dbraw/zinc/30/30/77/455303077.db2.gz KNOLCQBNIJHMRW-IFMALSPDSA-N 2 0 338.495 3.348 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183555110 455306020 /nfs/dbraw/zinc/30/60/20/455306020.db2.gz MCIORDXMHVLIDH-MRXNPFEDSA-N 2 0 348.487 3.011 10 0 EGAERP CC[C@H](C)NC(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737198 455369622 /nfs/dbraw/zinc/36/96/22/455369622.db2.gz QZCCXLBFKXVQNT-FRYIKTPZSA-N 2 0 343.515 3.076 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@H]2CCCO[C@H]21 ZINC000245850609 455385162 /nfs/dbraw/zinc/38/51/62/455385162.db2.gz GGFRYUYCONUYQQ-DOIPELPJSA-N 2 0 342.527 3.344 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182060232 455426248 /nfs/dbraw/zinc/42/62/48/455426248.db2.gz PFZYBYZNSMTCEW-DNVCBOLYSA-N 2 0 339.474 3.135 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000246263153 455460400 /nfs/dbraw/zinc/46/04/00/455460400.db2.gz OWAYXHIPBGSYPJ-RTWAWAEBSA-N 2 0 328.500 3.473 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247101300 455559782 /nfs/dbraw/zinc/55/97/82/455559782.db2.gz QAVGDYOZBSXUEW-DBXWQHBBSA-N 2 0 329.532 3.278 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1)C(C)C ZINC000268079699 455589772 /nfs/dbraw/zinc/58/97/72/455589772.db2.gz CTFXFOWMTUVHRL-IBGZPJMESA-N 2 0 331.504 3.083 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N3CCC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000271364070 455611870 /nfs/dbraw/zinc/61/18/70/455611870.db2.gz NYHHTYMXSMMSJZ-NRFANRHFSA-N 2 0 327.516 3.211 10 0 EGAERP C[C@@H]1c2ccc(F)cc2CCN1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606540412 460692250 /nfs/dbraw/zinc/69/22/50/460692250.db2.gz NARKVQWHTXTGHK-UZLBHIALSA-N 2 0 342.458 3.238 10 0 EGAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000261600705 455910176 /nfs/dbraw/zinc/91/01/76/455910176.db2.gz BEEDBNMDBYTOKI-AQNXPRMDSA-N 2 0 343.515 3.065 10 0 EGAERP COC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000187714553 455943393 /nfs/dbraw/zinc/94/33/93/455943393.db2.gz HUANCJCXWWDCIG-OAQYLSRUSA-N 2 0 346.515 3.204 10 0 EGAERP CN(Cc1nc(-c2ccc(Cl)cc2)no1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261786764 455947387 /nfs/dbraw/zinc/94/73/87/455947387.db2.gz SPUCNBMZJPBQJG-YIONKMFJSA-N 2 0 332.835 3.105 10 0 EGAERP CC[NH+]1CCC(N[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272457671 455957516 /nfs/dbraw/zinc/95/75/16/455957516.db2.gz XKLSTEDRBDCSGQ-WKCHPHFGSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000270986069 456087726 /nfs/dbraw/zinc/08/77/26/456087726.db2.gz WHEJJCLNOAGKDW-KRWDZBQOSA-N 2 0 343.515 3.085 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617015216 460710011 /nfs/dbraw/zinc/71/00/11/460710011.db2.gz XUNYIVHJWZSKGN-QZTJIDSGSA-N 2 0 331.504 3.059 10 0 EGAERP COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000188794997 456139648 /nfs/dbraw/zinc/13/96/48/456139648.db2.gz XVUMSQLKNBNKGB-HOTGVXAUSA-N 2 0 343.471 3.442 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272744 456184662 /nfs/dbraw/zinc/18/46/62/456184662.db2.gz YPBPGOYVKXSZCH-WMZOPIPTSA-N 2 0 342.487 3.043 10 0 EGAERP CCCc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301789301 456215057 /nfs/dbraw/zinc/21/50/57/456215057.db2.gz MLXNDFQGETVRQQ-JKSUJKDBSA-N 2 0 327.472 3.079 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189068434 456218345 /nfs/dbraw/zinc/21/83/45/456218345.db2.gz UOLUDVSYPUWIMZ-QGZVFWFLSA-N 2 0 344.421 3.144 10 0 EGAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC000352817116 456333708 /nfs/dbraw/zinc/33/37/08/456333708.db2.gz PSMKWAFRXPRFPE-GIVPXCGWSA-N 2 0 328.500 3.400 10 0 EGAERP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000340289631 456364918 /nfs/dbraw/zinc/36/49/18/456364918.db2.gz RIJZABKLFIRCPQ-OAHLLOKOSA-N 2 0 335.458 3.115 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C[C@H](C)O1 ZINC000657825744 462286005 /nfs/dbraw/zinc/28/60/05/462286005.db2.gz BUMUWPLFETYDOK-QKLQHJQFSA-N 2 0 344.499 3.097 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000305754982 456555088 /nfs/dbraw/zinc/55/50/88/456555088.db2.gz FIDDHUJXRGDSPX-VQHPVUNQSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCO1 ZINC000658320011 462476440 /nfs/dbraw/zinc/47/64/40/462476440.db2.gz LQMVTPQWMAGPKM-YSIASYRMSA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21 ZINC000353458302 456701583 /nfs/dbraw/zinc/70/15/83/456701583.db2.gz BIEUZMOSLWFEFC-NJYVYQBISA-N 2 0 329.532 3.489 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)c1 ZINC000353502136 456720112 /nfs/dbraw/zinc/72/01/12/456720112.db2.gz KWDPATNHUSSGOD-HBMCJLEFSA-N 3 0 329.532 3.489 10 0 EGAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291915858 456797895 /nfs/dbraw/zinc/79/78/95/456797895.db2.gz LHJCWQYQBYOREL-IBGZPJMESA-N 2 0 335.467 3.208 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000353641718 456823835 /nfs/dbraw/zinc/82/38/35/456823835.db2.gz JQFAHEVBALIJDZ-HNNXBMFYSA-N 2 0 338.455 3.354 10 0 EGAERP CCOc1cc2[nH+]ccc(N3CC[NH+](C4CC4)CC3)c2cc1OCC ZINC000301223237 456824750 /nfs/dbraw/zinc/82/47/50/456824750.db2.gz DKFRUJPNPYBMQW-UHFFFAOYSA-N 2 0 341.455 3.317 10 0 EGAERP C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000354177043 457112414 /nfs/dbraw/zinc/11/24/14/457112414.db2.gz GAUWIUIIDBIQSR-PHASAHSISA-N 2 0 339.527 3.254 10 0 EGAERP CC[C@H]1C[C@@H](C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)CCO1 ZINC000356987280 457259646 /nfs/dbraw/zinc/25/96/46/457259646.db2.gz JSPKYQSISQSCRE-PMACEKPBSA-N 2 0 340.552 3.262 10 0 EGAERP C[C@@H](CCC(C)(C)C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000342707733 457470764 /nfs/dbraw/zinc/47/07/64/457470764.db2.gz JYJSXKWZEGBPGM-SFHVURJKSA-N 2 0 332.536 3.398 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000400912821 457519737 /nfs/dbraw/zinc/51/97/37/457519737.db2.gz CCAXNWGTZVDHCD-DNNBLBMLSA-N 2 0 337.305 3.358 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000352686330 457531280 /nfs/dbraw/zinc/53/12/80/457531280.db2.gz YROVYDRUUNWANL-OAQYLSRUSA-N 2 0 343.515 3.192 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425465400 457564624 /nfs/dbraw/zinc/56/46/24/457564624.db2.gz ZLOSMDNGHYJLOK-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP c1cc2c(cccc2CC[NH2+]C2CCN(Cc3ccncc3)CC2)[nH]1 ZINC000370193854 457581402 /nfs/dbraw/zinc/58/14/02/457581402.db2.gz LVIKTQZQNFHNCZ-UHFFFAOYSA-N 2 0 334.467 3.360 10 0 EGAERP Cn1c(CCC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)nc2ccccc21 ZINC000370388260 457635958 /nfs/dbraw/zinc/63/59/58/457635958.db2.gz SKQMPSSOZRMEMS-UHFFFAOYSA-N 2 0 346.438 3.081 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000370653634 457691739 /nfs/dbraw/zinc/69/17/39/457691739.db2.gz SZCVPKDBADPSGR-LPHOPBHVSA-N 2 0 340.467 3.401 10 0 EGAERP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000357913205 457731999 /nfs/dbraw/zinc/73/19/99/457731999.db2.gz HBXPYOIRKZJAQX-QRVBRYPASA-N 2 0 343.515 3.012 10 0 EGAERP CCn1nc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2ccccc21 ZINC000375223657 457839572 /nfs/dbraw/zinc/83/95/72/457839572.db2.gz FNFWVGGIOQUGCR-UHFFFAOYSA-N 2 0 326.488 3.364 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411413880 457880389 /nfs/dbraw/zinc/88/03/89/457880389.db2.gz LBCZFPQEBUCDEQ-SFHVURJKSA-N 2 0 343.515 3.277 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)[C@H](C)C1 ZINC000358315014 457929616 /nfs/dbraw/zinc/92/96/16/457929616.db2.gz GCWZIWHZJLZUPW-FUMNGEBKSA-N 2 0 340.552 3.044 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000459293651 458319065 /nfs/dbraw/zinc/31/90/65/458319065.db2.gz GAIZGEQGFHEKCP-OAQYLSRUSA-N 2 0 329.532 3.315 10 0 EGAERP C[C@H]1C[C@@H](CC[NH2+]Cc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438694 458371789 /nfs/dbraw/zinc/37/17/89/458371789.db2.gz JIDCZEJHZPQFMS-PKOBYXMFSA-N 2 0 349.482 3.120 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000459480595 458386671 /nfs/dbraw/zinc/38/66/71/458386671.db2.gz MCHLXZOABMVIEF-IBGZPJMESA-N 2 0 330.476 3.005 10 0 EGAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423492342 458442527 /nfs/dbraw/zinc/44/25/27/458442527.db2.gz MQQKDDJYGBUNNP-ZLDLUXBVSA-N 2 0 339.277 3.380 10 0 EGAERP [NH3+]C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512108 458447673 /nfs/dbraw/zinc/44/76/73/458447673.db2.gz UODMSAMUIJMLPS-MXEMCNAFSA-N 2 0 327.516 3.289 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531367 458452480 /nfs/dbraw/zinc/45/24/80/458452480.db2.gz SPJACLNYBXWUMO-NEYVHXMNSA-N 2 0 332.532 3.325 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH2+]C24CCC4)C3)cc1 ZINC000530217673 458719224 /nfs/dbraw/zinc/71/92/24/458719224.db2.gz VHAYYADRWGIPGM-YRPNKDGESA-N 2 0 325.500 3.056 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494884460 458761782 /nfs/dbraw/zinc/76/17/82/458761782.db2.gz ARQRSIILPVUWHM-APWZRJJASA-N 2 0 343.515 3.208 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000566735740 458992283 /nfs/dbraw/zinc/99/22/83/458992283.db2.gz OFSDRGKONOZVLQ-RQNYZSLLSA-N 2 0 341.499 3.442 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000577527931 459046715 /nfs/dbraw/zinc/04/67/15/459046715.db2.gz SESIJWBWOLKXPQ-IEBWSBKVSA-N 2 0 345.531 3.306 10 0 EGAERP Clc1cccc2c1CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000521424377 459152335 /nfs/dbraw/zinc/15/23/35/459152335.db2.gz WYGMRIBNZNFYGV-ZOJXTTQQSA-N 2 0 333.907 3.133 10 0 EGAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2ccc(F)cc21 ZINC000521921856 459193135 /nfs/dbraw/zinc/19/31/35/459193135.db2.gz SPXAJGLCHWCBAF-GBESFXJTSA-N 2 0 329.463 3.322 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595054967 459229302 /nfs/dbraw/zinc/22/93/02/459229302.db2.gz QUOMBPSBIMGOAY-HKUYNNGSSA-N 2 0 346.515 3.466 10 0 EGAERP c1ccc(OCC2CC2)c(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)c1 ZINC000578643055 459235737 /nfs/dbraw/zinc/23/57/37/459235737.db2.gz LGPDKLQUJUYEKW-FQEVSTJZSA-N 2 0 344.499 3.162 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H]2CCC[C@H]21 ZINC000559899702 459283121 /nfs/dbraw/zinc/28/31/21/459283121.db2.gz PRDUTNALAFECGR-VHDGCEQUSA-N 2 0 328.378 3.390 10 0 EGAERP COc1ccc(CN(C)C[C@@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000582423514 459362690 /nfs/dbraw/zinc/36/26/90/459362690.db2.gz BBHXNGYQPJLEBD-INIZCTEOSA-N 2 0 345.512 3.414 10 0 EGAERP O[C@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)CC1CCCC1 ZINC000569332374 459433515 /nfs/dbraw/zinc/43/35/15/459433515.db2.gz NZKDBLAVHCTRMH-SFHVURJKSA-N 2 0 336.545 3.491 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302905 459534844 /nfs/dbraw/zinc/53/48/44/459534844.db2.gz PJHXYRYZEYHRMV-WBVHZDCISA-N 2 0 328.460 3.207 10 0 EGAERP C[N@H+](Cc1ccccc1C[NH2+]C[C@@H](O)C(F)(F)F)C1CCCCC1 ZINC000583626312 459571191 /nfs/dbraw/zinc/57/11/91/459571191.db2.gz LXNJIMXLMJXIKG-QGZVFWFLSA-N 2 0 344.421 3.464 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000544180176 459735545 /nfs/dbraw/zinc/73/55/45/459735545.db2.gz AYFDIZRXMPHFKV-WMZOPIPTSA-N 2 0 328.460 3.259 10 0 EGAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527889058 459766788 /nfs/dbraw/zinc/76/67/88/459766788.db2.gz XXJGCGBIVZXCOD-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP FC1(F)Oc2cccc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)c2O1 ZINC000527951186 459781095 /nfs/dbraw/zinc/78/10/95/459781095.db2.gz YACMNKCEEOYDOL-UHFFFAOYSA-N 2 0 338.398 3.015 10 0 EGAERP OC[C@H](c1ccc(OCCC[NH+]2CCCCC2)cc1)[NH+]1CCCCC1 ZINC000585655990 459834338 /nfs/dbraw/zinc/83/43/38/459834338.db2.gz VDKPCMIMWFRHEK-OAQYLSRUSA-N 2 0 346.515 3.461 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(C(=O)OC)cc1 ZINC000593323056 459841719 /nfs/dbraw/zinc/84/17/19/459841719.db2.gz OSJHMLZJXFJUHK-LJQANCHMSA-N 2 0 326.440 3.434 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000576682393 460192506 /nfs/dbraw/zinc/19/25/06/460192506.db2.gz LOHQRQLOIKHSSJ-ICSRJNTNSA-N 3 0 326.488 3.164 10 0 EGAERP CC[C@H]1c2ccccc2CC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000603968495 460365455 /nfs/dbraw/zinc/36/54/55/460365455.db2.gz XATBXPLCXSJRKY-IRLDBZIGSA-N 2 0 338.495 3.489 10 0 EGAERP CC[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347942 460503011 /nfs/dbraw/zinc/50/30/11/460503011.db2.gz MOYQGRSRMUQEQX-PMACEKPBSA-N 2 0 329.532 3.286 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634761675 460513527 /nfs/dbraw/zinc/51/35/27/460513527.db2.gz GXDYLBIXDNEOCX-IBGZPJMESA-N 2 0 345.531 3.427 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC(F)F ZINC000623393259 460524151 /nfs/dbraw/zinc/52/41/51/460524151.db2.gz CUHPROSUYZCSLK-AWEZNQCLSA-N 2 0 342.430 3.302 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623403535 460530128 /nfs/dbraw/zinc/53/01/28/460530128.db2.gz ZKRYLWUCXOVEEA-UHFFFAOYSA-N 2 0 332.488 3.448 10 0 EGAERP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000629521711 460793701 /nfs/dbraw/zinc/79/37/01/460793701.db2.gz RUXWTIAOXCXDJQ-VXGBXAGGSA-N 2 0 347.286 3.247 10 0 EGAERP Cc1cc(OCCC[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1Cl ZINC000629522277 460794675 /nfs/dbraw/zinc/79/46/75/460794675.db2.gz ZDDXWNADNPGSJY-OAHLLOKOSA-N 2 0 340.895 3.293 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000629528211 460795633 /nfs/dbraw/zinc/79/56/33/460795633.db2.gz SQTRTGLYWHXIME-WRTQPQOASA-N 2 0 327.516 3.160 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000629530475 460797048 /nfs/dbraw/zinc/79/70/48/460797048.db2.gz HTXRDQDDLNLPBP-HZPDHXFCSA-N 2 0 330.394 3.167 10 0 EGAERP Fc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)co1 ZINC000629532367 460797683 /nfs/dbraw/zinc/79/76/83/460797683.db2.gz WXRUZPRMJUPERC-OAHLLOKOSA-N 2 0 329.419 3.302 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000629535384 460798816 /nfs/dbraw/zinc/79/88/16/460798816.db2.gz CEVJKOCMHHNGKY-MRXNPFEDSA-N 2 0 341.293 3.172 10 0 EGAERP [NH3+]C[C@@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629564864 460811289 /nfs/dbraw/zinc/81/12/89/460811289.db2.gz VGSUWEOHCLBLCX-ZBFHGGJFSA-N 2 0 330.394 3.305 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+](C)C ZINC000623987848 460812129 /nfs/dbraw/zinc/81/21/29/460812129.db2.gz QDMPRJYZLSHTKB-QWRGUYRKSA-N 2 0 337.817 3.472 10 0 EGAERP Cc1ccc(SCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000629590535 460818118 /nfs/dbraw/zinc/81/81/18/460818118.db2.gz NLPMFKLXJXFCTB-IBGZPJMESA-N 2 0 348.556 3.486 10 0 EGAERP c1ccc2c(c1)CC[C@H]2CC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591601 460819146 /nfs/dbraw/zinc/81/91/46/460819146.db2.gz KQBFSGJYKQCDGR-PMACEKPBSA-N 2 0 328.500 3.197 10 0 EGAERP CC[NH+]1CCN(c2cccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)c2)CC1 ZINC000628240560 461058847 /nfs/dbraw/zinc/05/88/47/461058847.db2.gz KBGZVHAHOINDTR-SFHVURJKSA-N 2 0 330.520 3.113 10 0 EGAERP c1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCCCC3)CC1)C[NH2+]CC2 ZINC000652338731 461138223 /nfs/dbraw/zinc/13/82/23/461138223.db2.gz WFPBLAJPLIUFSI-UHFFFAOYSA-N 3 0 341.543 3.420 10 0 EGAERP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251063 461145126 /nfs/dbraw/zinc/14/51/26/461145126.db2.gz XIIBRAWZVIEXHF-DOMZBBRYSA-N 2 0 328.378 3.219 10 0 EGAERP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCSc3ccc(F)cc3)CC2)C1 ZINC000662282430 461164539 /nfs/dbraw/zinc/16/45/39/461164539.db2.gz UUCZGFUYQWAQKI-WMZOPIPTSA-N 2 0 338.492 3.136 10 0 EGAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662459474 461250991 /nfs/dbraw/zinc/25/09/91/461250991.db2.gz ZPQVNUHRNPOCTI-OALUTQOASA-N 2 0 343.515 3.060 10 0 EGAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288734 461275615 /nfs/dbraw/zinc/27/56/15/461275615.db2.gz QAHLCGCEIIMWHX-FPOVZHCZSA-N 2 0 349.478 3.002 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000655813527 461470485 /nfs/dbraw/zinc/47/04/85/461470485.db2.gz ZGAHOEAHSZWCCS-WOJBJXKFSA-N 2 0 332.488 3.064 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCc2ccccn2)C1 ZINC000655827249 461482664 /nfs/dbraw/zinc/48/26/64/461482664.db2.gz OSSRPFVGXCWMGT-UWUNEBHHSA-N 2 0 325.456 3.090 10 0 EGAERP CC[NH+](CC)Cc1ccc(-c2nc(-c3ccc(C[NH3+])cc3)no2)o1 ZINC000647158881 461532326 /nfs/dbraw/zinc/53/23/26/461532326.db2.gz RXYZMZALFOYPDO-UHFFFAOYSA-N 2 0 326.400 3.297 10 0 EGAERP CO[C@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[C@H]1CCOC1 ZINC000660005587 461541198 /nfs/dbraw/zinc/54/11/98/461541198.db2.gz AXYDQYADENZFGA-YSIASYRMSA-N 2 0 338.536 3.014 10 0 EGAERP CCCCC[N@H+](CCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1)Cc1ccccc1 ZINC000653200967 461554455 /nfs/dbraw/zinc/55/44/55/461554455.db2.gz VVLGLVSWTAMKKJ-ICSRJNTNSA-N 2 0 345.531 3.183 10 0 EGAERP FC(F)c1ccc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000631105567 461554600 /nfs/dbraw/zinc/55/46/00/461554600.db2.gz OTNAAIHAGBPISV-UHFFFAOYSA-N 2 0 332.398 3.420 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCS[C@H]2C)CC1 ZINC000647257983 461593109 /nfs/dbraw/zinc/59/31/09/461593109.db2.gz HNJGFCIQLBCJOZ-WMZOPIPTSA-N 2 0 333.545 3.202 10 0 EGAERP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(F)cc1Br ZINC000631168178 461606794 /nfs/dbraw/zinc/60/67/94/461606794.db2.gz AYRVZSPETCXFNF-KLPPZKSPSA-N 2 0 345.256 3.027 10 0 EGAERP C[N@H+](CCO[C@H]1CC1(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000660166243 461615787 /nfs/dbraw/zinc/61/57/87/461615787.db2.gz MQNTUDBLMMZBGM-KRWDZBQOSA-N 2 0 339.430 3.044 10 0 EGAERP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc2n(n1)CCCC2 ZINC000647292123 461616699 /nfs/dbraw/zinc/61/66/99/461616699.db2.gz QIDAVWFTEGXPQP-MRXNPFEDSA-N 2 0 339.487 3.182 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199756 461643786 /nfs/dbraw/zinc/64/37/86/461643786.db2.gz BZDVBQSRFMOXMG-HUUCEWRRSA-N 2 0 328.378 3.476 10 0 EGAERP COc1c(C)cccc1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656199684 461644326 /nfs/dbraw/zinc/64/43/26/461644326.db2.gz AXPPKXSBZCRHNH-NQIIRXRSSA-N 2 0 338.451 3.349 10 0 EGAERP COc1ccc(Br)cc1C1([NH2+]CC2CC[NH2+]CC2)CC1 ZINC000647368798 461662263 /nfs/dbraw/zinc/66/22/63/461662263.db2.gz KSUKFCIGJZPPLU-UHFFFAOYSA-N 2 0 339.277 3.036 10 0 EGAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1CCN(C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639190778 461792503 /nfs/dbraw/zinc/79/25/03/461792503.db2.gz CJFMYWQSJHUAKK-LZJOCLMNSA-N 3 0 336.483 3.225 10 0 EGAERP CC(C)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(O)c(=O)c1 ZINC000663831687 461828283 /nfs/dbraw/zinc/82/82/83/461828283.db2.gz XIXFAQDUIYVKLT-UHFFFAOYSA-N 2 0 344.499 3.184 10 0 EGAERP c1nc(-c2ccccn2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786529 461898405 /nfs/dbraw/zinc/89/84/05/461898405.db2.gz UDDPEWIVUIKHEY-INIZCTEOSA-N 2 0 342.512 3.417 10 0 EGAERP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786636 461898631 /nfs/dbraw/zinc/89/86/31/461898631.db2.gz VGNAXUDZCAHLGX-QGZVFWFLSA-N 2 0 342.462 3.427 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1ccccc1C ZINC000650719646 461911375 /nfs/dbraw/zinc/91/13/75/461911375.db2.gz XIHMFDWEIISFRS-MRXNPFEDSA-N 2 0 325.456 3.221 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)[C@@H](C)C1 ZINC000648009986 461940216 /nfs/dbraw/zinc/94/02/16/461940216.db2.gz FZLXNFTUESNNIG-YOEHRIQHSA-N 2 0 330.476 3.151 10 0 EGAERP OCC1([NH2+]CC2CC2)CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000660758649 461956001 /nfs/dbraw/zinc/95/60/01/461956001.db2.gz AGJMEQISXPVIHP-TZIWHRDSSA-N 2 0 342.527 3.397 10 0 EGAERP c1ccc(-c2ccc(C[N@@H+]3CCCN(c4cc[nH+]cc4)CC3)cn2)nc1 ZINC000639684356 462057035 /nfs/dbraw/zinc/05/70/35/462057035.db2.gz UFSKHMIKFFHCGW-UHFFFAOYSA-N 2 0 345.450 3.251 10 0 EGAERP COc1ccccc1C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657338819 462057502 /nfs/dbraw/zinc/05/75/02/462057502.db2.gz HCGJFQWYWSGLHB-UHFFFAOYSA-N 2 0 334.423 3.097 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347979 462062083 /nfs/dbraw/zinc/06/20/83/462062083.db2.gz INOALSOEDIDRFV-MJGOQNOKSA-N 2 0 347.466 3.192 10 0 EGAERP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(Cl)c1 ZINC000657535337 462170173 /nfs/dbraw/zinc/17/01/73/462170173.db2.gz KESWPBKHJPSAOQ-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP CC(C)(C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccc1 ZINC000657595342 462196370 /nfs/dbraw/zinc/19/63/70/462196370.db2.gz HBFLDZJHKDHQJX-NRFANRHFSA-N 2 0 338.495 3.321 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccc1F ZINC000657596442 462197170 /nfs/dbraw/zinc/19/71/70/462197170.db2.gz NGKMHEZPWRRCNZ-CRAIPNDOSA-N 2 0 328.431 3.243 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000657666602 462222634 /nfs/dbraw/zinc/22/26/34/462222634.db2.gz VBGMUBRURSQCFU-SFHVURJKSA-N 2 0 337.458 3.352 10 0 EGAERP FC(F)(F)c1cnc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)s1 ZINC000657812414 462279631 /nfs/dbraw/zinc/27/96/31/462279631.db2.gz AYEALSFOTRUEDR-UHFFFAOYSA-N 2 0 333.423 3.374 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970550 462353402 /nfs/dbraw/zinc/35/34/02/462353402.db2.gz MYYLCQFACAQVQZ-CUUWFGFTSA-N 2 0 340.511 3.444 10 0 EGAERP CC(C)n1cc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000658068494 462366610 /nfs/dbraw/zinc/36/66/10/462366610.db2.gz WXKVLBUKJITWGH-MRXNPFEDSA-N 2 0 334.508 3.006 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cnn1C(C)C ZINC000658069192 462366621 /nfs/dbraw/zinc/36/66/21/462366621.db2.gz CMBFHXYAYAUXND-MRXNPFEDSA-N 2 0 348.535 3.314 10 0 EGAERP [NH3+]C[C@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265579 462377431 /nfs/dbraw/zinc/37/74/31/462377431.db2.gz YPWWNTNXPBCQIS-ZBFHGGJFSA-N 2 0 337.305 3.489 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277125 462379753 /nfs/dbraw/zinc/37/97/53/462379753.db2.gz ULOCQENUNLAAAJ-AZUAARDMSA-N 3 0 329.532 3.396 10 0 EGAERP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277345 462381309 /nfs/dbraw/zinc/38/13/09/462381309.db2.gz ZHHUWMQJGAIVRC-YZGWKJHDSA-N 2 0 327.516 3.019 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000658097548 462383885 /nfs/dbraw/zinc/38/38/85/462383885.db2.gz UOAIFPBPSAOARD-VDGAXYAQSA-N 2 0 338.536 3.061 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000665289877 462387107 /nfs/dbraw/zinc/38/71/07/462387107.db2.gz ZRAUMQGVBJGUBN-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137326 462400593 /nfs/dbraw/zinc/40/05/93/462400593.db2.gz KJGJYFINLOMJSF-SFTDATJTSA-N 2 0 328.500 3.312 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)C1 ZINC000658136668 462400970 /nfs/dbraw/zinc/40/09/70/462400970.db2.gz DSZOLJGWMMFKSL-HKUYNNGSSA-N 2 0 342.508 3.482 10 0 EGAERP C[C@@H](COCC1CC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000651984272 462401584 /nfs/dbraw/zinc/40/15/84/462401584.db2.gz YOSGCOUHIMIWRY-ROUUACIJSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143182 462406867 /nfs/dbraw/zinc/40/68/67/462406867.db2.gz XIOABCVOYZHPQV-XOBRGWDASA-N 2 0 346.421 3.382 10 0 EGAERP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658143213 462407572 /nfs/dbraw/zinc/40/75/72/462407572.db2.gz XRUUNNDLIRSCEH-SCLBCKFNSA-N 2 0 345.512 3.177 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC[C@]2(O)CCCOC2)CC1 ZINC000652044699 462415647 /nfs/dbraw/zinc/41/56/47/462415647.db2.gz RTCAJLWODDGKNG-HXUWFJFHSA-N 2 0 340.552 3.187 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000658281157 462454141 /nfs/dbraw/zinc/45/41/41/462454141.db2.gz BWIMKWBRKPEHIQ-FQVISZRSSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339163 462480596 /nfs/dbraw/zinc/48/05/96/462480596.db2.gz QTNZHIJCBZBLIG-MJGOQNOKSA-N 2 0 349.563 3.445 10 0 EGAERP C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360280 462489887 /nfs/dbraw/zinc/48/98/87/462489887.db2.gz HSHBVRAEIVAFBV-CSODHUTKSA-N 2 0 342.483 3.400 10 0 EGAERP C[C@H](O)[C@@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360289 462490064 /nfs/dbraw/zinc/49/00/64/462490064.db2.gz HSHBVRAEIVAFBV-XGHQBKJUSA-N 2 0 342.483 3.400 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2F)CC1 ZINC000179517591 534076494 /nfs/dbraw/zinc/07/64/94/534076494.db2.gz ZCKQDZJXUIKHSJ-ZDUSSCGKSA-N 2 0 328.859 3.004 10 0 EGAERP Cc1ccc(-c2nnc(CN3CC[C@H](C)[C@H](n4ccnc4)C3)o2)cc1 ZINC000129460001 546788510 /nfs/dbraw/zinc/78/85/10/546788510.db2.gz FWTUGVMLCWNLDV-DOTOQJQBSA-N 2 0 337.427 3.325 10 0 EGAERP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000166566393 546989955 /nfs/dbraw/zinc/98/99/55/546989955.db2.gz XGMFALINTRIVHL-IXDOHACOSA-N 2 0 349.469 3.146 10 0 EGAERP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339069552 547568637 /nfs/dbraw/zinc/56/86/37/547568637.db2.gz XGMFALINTRIVHL-IKGGRYGDSA-N 2 0 349.469 3.146 10 0 EGAERP CC1CC[NH+](CCN2CC[N@H+](Cc3ccccc3)CC[C@@H]2C)CC1 ZINC000676086192 549035041 /nfs/dbraw/zinc/03/50/41/549035041.db2.gz UTNPEOLZMREMOD-FQEVSTJZSA-N 2 0 329.532 3.315 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000680894191 549925131 /nfs/dbraw/zinc/92/51/31/549925131.db2.gz IUVVNZZOZIRVLW-GOSISDBHSA-N 2 0 338.499 3.068 10 0 EGAERP CN(C)CC[NH+]1CCC(C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000685841004 550447146 /nfs/dbraw/zinc/44/71/46/550447146.db2.gz LCSIDHFXQXUKGV-UHFFFAOYSA-N 2 0 345.575 3.390 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000729682511 574878416 /nfs/dbraw/zinc/87/84/16/574878416.db2.gz XTHCMKHBMUTZCS-KRWDZBQOSA-N 2 0 339.524 3.098 10 0 EGAERP C[N@H+](CCc1cccc(Br)c1)CC1CC[NH+](C)CC1 ZINC000136187361 1293811962 /nfs/dbraw/zinc/81/19/62/1293811962.db2.gz IAFYCEYOIRYBJH-UHFFFAOYSA-N 2 0 325.294 3.265 10 0 EGAERP Cc1oc2ccccc2c1C[NH2+]CC1CC[NH+](CCN(C)C)CC1 ZINC000155858386 1294116759 /nfs/dbraw/zinc/11/67/59/1294116759.db2.gz ARARYEJUSZTEBT-UHFFFAOYSA-N 2 0 329.488 3.104 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870867374 1296121222 /nfs/dbraw/zinc/12/12/22/1296121222.db2.gz GSNGMDYXKUIJBV-FORWCCJISA-N 2 0 327.472 3.127 10 0 EGAERP CC1CC[NH+](CCc2cccc(NC(=O)[C@]34C[C@H]3C[C@H]([NH3+])C4)c2)CC1 ZINC000870912041 1296137332 /nfs/dbraw/zinc/13/73/32/1296137332.db2.gz XLLBVLMONAMYAC-LQWHRVPQSA-N 2 0 341.499 3.027 10 0 EGAERP Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000872132529 1296757347 /nfs/dbraw/zinc/75/73/47/1296757347.db2.gz GEYDIGOIMUYNNL-GDBMZVCRSA-N 2 0 328.460 3.137 10 0 EGAERP C(=C/[C@@H]1CCC[NH2+]C1)\c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000872172249 1296794966 /nfs/dbraw/zinc/79/49/66/1296794966.db2.gz BIRYEERJBAKCJN-JCVNQNCUSA-N 2 0 338.455 3.345 10 0 EGAERP CN(C(=O)OC(C)(C)C)C1CCC([NH2+]C[C@H]2CCC[N@H+](C)C2)CC1 ZINC000302112124 1296798431 /nfs/dbraw/zinc/79/84/31/1296798431.db2.gz PKJLRPIXAPSDCY-KLAILNCOSA-N 2 0 339.524 3.096 10 0 EGAERP C(CCC[NH2+][C@]12CCC[C@H]1OCC2)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315421 1296911051 /nfs/dbraw/zinc/91/10/51/1296911051.db2.gz TXLFVMDAJALFSQ-ZRNYENFQSA-N 2 0 336.520 3.149 10 0 EGAERP c1ccc(C[NH+]2CCC(N(C[C@H]3CCC[NH2+]C3)C3CC3)CC2)cc1 ZINC000305867975 1297062975 /nfs/dbraw/zinc/06/29/75/1297062975.db2.gz ARVIUIHSLFXLOP-IBGZPJMESA-N 2 0 327.516 3.115 10 0 EGAERP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000310966955 1297103134 /nfs/dbraw/zinc/10/31/34/1297103134.db2.gz CNKPTTFKQMAAGG-XUVXKRRUSA-N 2 0 344.499 3.220 10 0 EGAERP CN(Cc1ccc2c(c1)C[NH2+]C2)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382792489 1297564490 /nfs/dbraw/zinc/56/44/90/1297564490.db2.gz QBLMXVAHRHRQQZ-HXUWFJFHSA-N 3 0 335.495 3.244 10 0 EGAERP CN(C[C@H]([NH3+])Cc1ccccc1)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382794420 1297564876 /nfs/dbraw/zinc/56/48/76/1297564876.db2.gz SPWNHOWBJDYUCL-FCHUYYIVSA-N 2 0 337.511 3.010 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560126 1298281282 /nfs/dbraw/zinc/28/12/82/1298281282.db2.gz XJRGPKFSYUQGHY-VQHPVUNQSA-N 2 0 339.524 3.237 10 0 EGAERP c1cc(N2CC[N@@H+]3CCC[C@H]3C2)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000883347722 1302405764 /nfs/dbraw/zinc/40/57/64/1302405764.db2.gz XZCCMGPRSXGVLP-NRFANRHFSA-N 2 0 340.515 3.010 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000886868204 1303620089 /nfs/dbraw/zinc/62/00/89/1303620089.db2.gz YDVMNHXWGURYFL-FQEVSTJZSA-N 2 0 340.471 3.135 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](Cc3cc(C)co3)C2)ccn1 ZINC000895373528 1309305606 /nfs/dbraw/zinc/30/56/06/1309305606.db2.gz KTCZKULYHDSYPJ-GOSISDBHSA-N 2 0 329.444 3.088 10 0 EGAERP c1cc(C[N@@H+]2CCCC[C@@H](C3CCOCC3)C2)n(-c2ccncc2)n1 ZINC000895716065 1309484125 /nfs/dbraw/zinc/48/41/25/1309484125.db2.gz DKGJIJGQEFCRBT-GOSISDBHSA-N 2 0 340.471 3.296 10 0 EGAERP CC[C@H](C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)[NH+](C)C ZINC000899672081 1317129549 /nfs/dbraw/zinc/12/95/49/1317129549.db2.gz PFMNDDRCIOQZKJ-CQSZACIVSA-N 2 0 331.382 3.046 10 0 EGAERP CCC[N@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000899672229 1317130621 /nfs/dbraw/zinc/13/06/21/1317130621.db2.gz VMIHYKQMIIZEJZ-UHFFFAOYSA-N 2 0 331.382 3.047 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842896 1328718443 /nfs/dbraw/zinc/71/84/43/1328718443.db2.gz FNCVPSDWXNRNEP-DLBZAZTESA-N 2 0 336.520 3.305 10 0 EGAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000930117721 1328789566 /nfs/dbraw/zinc/78/95/66/1328789566.db2.gz WHUACIFZNTWRMO-HOTGVXAUSA-N 2 0 330.394 3.290 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@H]2CCC3(COC3)O2)CC1)CC(C)C ZINC000930178840 1328805321 /nfs/dbraw/zinc/80/53/21/1328805321.db2.gz CKJUAEILYIACTL-LJQANCHMSA-N 2 0 338.536 3.014 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@H](CN(C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372732 1328844276 /nfs/dbraw/zinc/84/42/76/1328844276.db2.gz DAHYZJLZSKWPTJ-KRWDZBQOSA-N 2 0 344.528 3.417 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c3c(nn2C)CCC3)cc1 ZINC000921513592 1322335698 /nfs/dbraw/zinc/33/56/98/1322335698.db2.gz RRUWUACWALTQQQ-UHFFFAOYSA-N 2 0 326.488 3.040 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)(c2ccccc2)CC1 ZINC000922315426 1322498920 /nfs/dbraw/zinc/49/89/20/1322498920.db2.gz CDOYEMGNTCEIRF-IRFCIJBXSA-N 2 0 342.527 3.445 10 0 EGAERP CCCC[N@H+](C[C@H](OC)[C@@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034348 1329034125 /nfs/dbraw/zinc/03/41/25/1329034125.db2.gz ROYAKBUCUNDAAF-AEFFLSMTSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923302185 1322728813 /nfs/dbraw/zinc/72/88/13/1322728813.db2.gz PEKUTSPIRRSXDD-WELJNPPOSA-N 2 0 339.487 3.181 10 0 EGAERP CC1(C)C[NH2+]CC[C@@H]1[NH2+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923370749 1322742456 /nfs/dbraw/zinc/74/24/56/1322742456.db2.gz QVQCMZZKVKKWEB-CWRNSKLLSA-N 2 0 342.405 3.146 10 0 EGAERP c1ccc2c(c1)NC[C@@H]2C[C@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923553894 1322776808 /nfs/dbraw/zinc/77/68/08/1322776808.db2.gz WRKUVHCABHWTKF-OALUTQOASA-N 2 0 343.515 3.066 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000924571900 1323057679 /nfs/dbraw/zinc/05/76/79/1323057679.db2.gz IYDUBLNFCMMZSZ-HBFSDRIKSA-N 2 0 332.536 3.294 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000924692293 1323115378 /nfs/dbraw/zinc/11/53/78/1323115378.db2.gz LXZZHZFZKSVKME-YRWFTTLQSA-N 2 0 334.504 3.168 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1cccc(OC)n1 ZINC000924722145 1323133051 /nfs/dbraw/zinc/13/30/51/1323133051.db2.gz GEMUFUATMSGFNC-MRXNPFEDSA-N 2 0 337.427 3.220 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3[C@@H](C)COC[C@H]3C)CC2)cc1 ZINC000924858255 1323188839 /nfs/dbraw/zinc/18/88/39/1323188839.db2.gz ZGZGBMCNHUQLPS-LFUKPOHLSA-N 2 0 346.515 3.168 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cnn(C2CCC2)c1 ZINC000924862734 1323190480 /nfs/dbraw/zinc/19/04/80/1323190480.db2.gz RJAMWGJVVHXXOT-INIZCTEOSA-N 2 0 342.487 3.399 10 0 EGAERP C[C@H]1CC2(CC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)CO1 ZINC000924938310 1323220983 /nfs/dbraw/zinc/22/09/83/1323220983.db2.gz JRFPQYXZWOLJFT-FNOBOGDDSA-N 2 0 328.500 3.098 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000924955283 1323227299 /nfs/dbraw/zinc/22/72/99/1323227299.db2.gz NCFSXKGPYUQSHI-UHFFFAOYSA-N 2 0 339.524 3.001 10 0 EGAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925219611 1325084434 /nfs/dbraw/zinc/08/44/34/1325084434.db2.gz DXDYHOKVEHEHET-PZJWPPBQSA-N 2 0 348.531 3.063 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000925478065 1325167745 /nfs/dbraw/zinc/16/77/45/1325167745.db2.gz HBTKDDZBDWLXBL-IEBWSBKVSA-N 2 0 333.495 3.286 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C[C@@H]([NH3+])C1 ZINC000925486420 1325172756 /nfs/dbraw/zinc/17/27/56/1325172756.db2.gz REUAMASRSUJDAP-ZNMIVQPWSA-N 2 0 337.458 3.287 10 0 EGAERP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495055 1325176373 /nfs/dbraw/zinc/17/63/73/1325176373.db2.gz XBFYQRFBBPXEOJ-LZQZEXGQSA-N 2 0 347.572 3.253 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1F ZINC000925497179 1325178079 /nfs/dbraw/zinc/17/80/79/1325178079.db2.gz FNFRXGBKOIAHOM-AZUAARDMSA-N 3 0 333.495 3.145 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C12CCC2 ZINC000925505555 1325181745 /nfs/dbraw/zinc/18/17/45/1325181745.db2.gz TUWNZERUYWTGHT-IRXDYDNUSA-N 2 0 334.891 3.248 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000925529834 1325192652 /nfs/dbraw/zinc/19/26/52/1325192652.db2.gz IBAMUBREYDQHQO-GJZGRUSLSA-N 2 0 335.458 3.146 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C1 ZINC000925530869 1325194087 /nfs/dbraw/zinc/19/40/87/1325194087.db2.gz GYOILTLOAXEDGR-QWHCGFSZSA-N 2 0 331.382 3.018 10 0 EGAERP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925539708 1325198976 /nfs/dbraw/zinc/19/89/76/1325198976.db2.gz CTQFJIUTJMGSAS-IXDOHACOSA-N 2 0 331.504 3.017 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C[C@@H]([NH3+])C1 ZINC000925546957 1325202405 /nfs/dbraw/zinc/20/24/05/1325202405.db2.gz LSMMMYZLHWQOSY-OLZOCXBDSA-N 2 0 331.382 3.018 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1F ZINC000925619043 1325233076 /nfs/dbraw/zinc/23/30/76/1325233076.db2.gz KOCJGJOLUCBERZ-RBNVPPIJSA-N 2 0 326.431 3.272 10 0 EGAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925617662 1325233092 /nfs/dbraw/zinc/23/30/92/1325233092.db2.gz DQESZCPLMMMQBB-WOJBJXKFSA-N 2 0 338.499 3.439 10 0 EGAERP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925624216 1325234191 /nfs/dbraw/zinc/23/41/91/1325234191.db2.gz WVRZSGVZXDGWLC-VAMGGRTRSA-N 2 0 328.500 3.258 10 0 EGAERP Cc1noc(C[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)n1 ZINC000925651704 1325247589 /nfs/dbraw/zinc/24/75/89/1325247589.db2.gz JIDNUEFOJXIXNW-BBWFWOEESA-N 2 0 328.460 3.157 10 0 EGAERP COCCOCc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925675485 1325258384 /nfs/dbraw/zinc/25/83/84/1325258384.db2.gz HWKMRAGUPQHJHC-NHCUHLMSSA-N 2 0 346.515 3.108 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728969 1325273769 /nfs/dbraw/zinc/27/37/69/1325273769.db2.gz GLIHKEQIMWPCTJ-GJZGRUSLSA-N 2 0 335.289 3.340 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc21 ZINC000925802955 1325307955 /nfs/dbraw/zinc/30/79/55/1325307955.db2.gz KPLJSRAIQYCLQR-OHDICMOHSA-N 2 0 330.472 3.003 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c(C)o1 ZINC000925807607 1325310310 /nfs/dbraw/zinc/31/03/10/1325310310.db2.gz FXVJRNGXLWRECA-INIZCTEOSA-N 2 0 327.472 3.152 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)c(F)c1 ZINC000925810052 1325311252 /nfs/dbraw/zinc/31/12/52/1325311252.db2.gz UYOWRUSPAFZJOR-HNNXBMFYSA-N 2 0 345.437 3.221 10 0 EGAERP CC(C)[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000925815184 1325313789 /nfs/dbraw/zinc/31/37/89/1325313789.db2.gz OUISKWGYNCLJGQ-KRWDZBQOSA-N 2 0 343.437 3.415 10 0 EGAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925833591 1325321292 /nfs/dbraw/zinc/32/12/92/1325321292.db2.gz TVQHSMPBIISALY-ZGMNHVEMSA-N 2 0 326.362 3.030 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000925844136 1325325489 /nfs/dbraw/zinc/32/54/89/1325325489.db2.gz WGJJSIBDUBXKBI-LSBZLQRGSA-N 2 0 349.906 3.487 10 0 EGAERP CC(C)C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccs1 ZINC000925855960 1325331764 /nfs/dbraw/zinc/33/17/64/1325331764.db2.gz VXSUZMOEBURAAD-CABCVRRESA-N 2 0 336.501 3.110 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925881562 1325340381 /nfs/dbraw/zinc/34/03/81/1325340381.db2.gz UHPCQVANBNXYDV-VBKZILBWSA-N 2 0 325.456 3.203 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000926635573 1327645850 /nfs/dbraw/zinc/64/58/50/1327645850.db2.gz PEHKKQAMTAKIJO-JSXRDJHFSA-N 2 0 328.500 3.127 10 0 EGAERP C[C@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926643433 1327649977 /nfs/dbraw/zinc/64/99/77/1327649977.db2.gz ADPVHZMYKDTKKA-JTSKRJEESA-N 2 0 338.495 3.275 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cnn(C2CCC2)c1 ZINC000926676440 1327662324 /nfs/dbraw/zinc/66/23/24/1327662324.db2.gz LHLUEASSZZKLEW-INIZCTEOSA-N 2 0 346.519 3.150 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876930 1327751865 /nfs/dbraw/zinc/75/18/65/1327751865.db2.gz LTKMZUUAVFEPTI-WOUAJJJCSA-N 2 0 332.488 3.125 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926938174 1327785280 /nfs/dbraw/zinc/78/52/80/1327785280.db2.gz SVANKGRCSACTHF-BWUHRYBWSA-N 2 0 326.484 3.078 10 0 EGAERP C[C@H](C[C@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000862398279 1329482678 /nfs/dbraw/zinc/48/26/78/1329482678.db2.gz CXXLSUOECLNWNL-ZNMIVQPWSA-N 2 0 327.513 3.141 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C[C@H](C)O1 ZINC000865470427 1329701994 /nfs/dbraw/zinc/70/19/94/1329701994.db2.gz BBXIXEKBMCSRDP-HOTGVXAUSA-N 2 0 345.462 3.353 10 0 EGAERP Cc1ccnc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)c1Br ZINC000865476945 1329702895 /nfs/dbraw/zinc/70/28/95/1329702895.db2.gz LNFTVQJKNBLYPN-AGUYFDCRSA-N 2 0 338.293 3.257 10 0 EGAERP COc1cc(C[NH2+]CCC2CC[NH+](C(C)C)CC2)cc2c1OCCO2 ZINC000865715449 1329731882 /nfs/dbraw/zinc/73/18/82/1329731882.db2.gz SIJKODXQJPAWIH-UHFFFAOYSA-N 2 0 348.487 3.067 10 0 EGAERP CC(C)[NH+]1CCC(CC[NH2+]Cc2cc(-c3cccnc3)n[nH]2)CC1 ZINC000865716798 1329732321 /nfs/dbraw/zinc/73/23/21/1329732321.db2.gz DOBNLCOHKGUVOV-UHFFFAOYSA-N 2 0 327.476 3.072 10 0 EGAERP Cc1nn(C)c2nc(Cl)c(C[NH2+]C3CCC(C)([NH+](C)C)CC3)cc12 ZINC000865766026 1329736456 /nfs/dbraw/zinc/73/64/56/1329736456.db2.gz XULXTJLZZUQREN-UHFFFAOYSA-N 2 0 349.910 3.283 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865835468 1329743654 /nfs/dbraw/zinc/74/36/54/1329743654.db2.gz RGUBNTPBQZFXQD-YGTYDBBMSA-N 2 0 347.300 3.304 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866233822 1330082001 /nfs/dbraw/zinc/08/20/01/1330082001.db2.gz YUYAFEZEFOEZGE-JXXFODFXSA-N 2 0 333.495 3.065 10 0 EGAERP F[C@H]1COc2ccccc2[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000866289530 1330091257 /nfs/dbraw/zinc/09/12/57/1330091257.db2.gz FPYWKNUYXSPDCP-AZUAARDMSA-N 2 0 341.430 3.359 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866515424 1330120498 /nfs/dbraw/zinc/12/04/98/1330120498.db2.gz BFHIBXJKGXALEP-ICXUMSERSA-N 2 0 335.467 3.395 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866537495 1330123491 /nfs/dbraw/zinc/12/34/91/1330123491.db2.gz FNBIYCRDRKBNFR-LRQRDZAKSA-N 2 0 346.515 3.340 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000868164025 1330257568 /nfs/dbraw/zinc/25/75/68/1330257568.db2.gz SAYCHPIRVZPPIJ-UHFFFAOYSA-N 2 0 332.492 3.181 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001323048747 1387275825 /nfs/dbraw/zinc/27/58/25/1387275825.db2.gz UYITYZFTVSFXHH-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]1CN(C(=O)Cc2cncn2C)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001323157519 1387303934 /nfs/dbraw/zinc/30/39/34/1387303934.db2.gz DONGTWOGFSNUEL-AEFFLSMTSA-N 2 0 348.535 3.006 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001323227738 1387313315 /nfs/dbraw/zinc/31/33/15/1387313315.db2.gz TZSMONDOGUSPTD-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001323227734 1387313392 /nfs/dbraw/zinc/31/33/92/1387313392.db2.gz TZSMONDOGUSPTD-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323645158 1387416495 /nfs/dbraw/zinc/41/64/95/1387416495.db2.gz XWJWZOPVXVMQNU-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001323946042 1387499106 /nfs/dbraw/zinc/49/91/06/1387499106.db2.gz JBNPMHPWFALVOL-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001324081956 1387533776 /nfs/dbraw/zinc/53/37/76/1387533776.db2.gz QQHOLBZLNJTIND-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324101541 1387542714 /nfs/dbraw/zinc/54/27/14/1387542714.db2.gz ZWNWDFHSJOOEKX-UYAOXDASSA-N 2 0 347.547 3.332 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324208297 1387558285 /nfs/dbraw/zinc/55/82/85/1387558285.db2.gz VSVUPPSFVXWTPE-HPFMTEOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001324236970 1387564714 /nfs/dbraw/zinc/56/47/14/1387564714.db2.gz RSBMKRBHRPDLMV-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC(C)CC1 ZINC001324545731 1387665551 /nfs/dbraw/zinc/66/55/51/1387665551.db2.gz SXBPOUNDGNTGHR-TUNPWDSISA-N 2 0 349.563 3.220 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001324671680 1387728716 /nfs/dbraw/zinc/72/87/16/1387728716.db2.gz GIGHSCRZFXWISZ-WIYYLYMNSA-N 2 0 343.515 3.041 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001324864865 1387796789 /nfs/dbraw/zinc/79/67/89/1387796789.db2.gz WEWLBWAUHWZCJK-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[C@H](O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358901 1367483552 /nfs/dbraw/zinc/48/35/52/1367483552.db2.gz QZFCLBIRBHQBRD-RTWAWAEBSA-N 2 0 330.516 3.382 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001325445989 1387974521 /nfs/dbraw/zinc/97/45/21/1387974521.db2.gz CMSKKZILDUHHOM-XLIONFOSSA-N 2 0 343.515 3.155 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001325476634 1387987604 /nfs/dbraw/zinc/98/76/04/1387987604.db2.gz PVYOHJUOSAEKOS-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C)[NH+](CC)CC ZINC001325628458 1388014939 /nfs/dbraw/zinc/01/49/39/1388014939.db2.gz DYPWSVXKFLNQFG-YRPNKDGESA-N 2 0 349.563 3.432 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001325918987 1388083636 /nfs/dbraw/zinc/08/36/36/1388083636.db2.gz FZYBYXNZBUZERZ-IKLBINMZSA-N 2 0 347.547 3.140 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3[C@H]2CC[NH+]3CCCC(C)(C)C)C1 ZINC001325921021 1388085068 /nfs/dbraw/zinc/08/50/68/1388085068.db2.gz NDRRNXNDFHNMEY-GUDVDZBRSA-N 2 0 349.563 3.220 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC001119544721 1371364903 /nfs/dbraw/zinc/36/49/03/1371364903.db2.gz RGOJJEBLJPIJGZ-IBGZPJMESA-N 2 0 348.560 3.407 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001326303039 1388146779 /nfs/dbraw/zinc/14/67/79/1388146779.db2.gz KFYSHDBCONFTJY-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001326305978 1388149049 /nfs/dbraw/zinc/14/90/49/1388149049.db2.gz WKYSYXJLUPPSEW-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001326384107 1388173498 /nfs/dbraw/zinc/17/34/98/1388173498.db2.gz RUCCCMXQCBRZCP-KPDZFXRVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001326437358 1388188223 /nfs/dbraw/zinc/18/82/23/1388188223.db2.gz LRHOPDIQTSAIAU-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001326481052 1388209546 /nfs/dbraw/zinc/20/95/46/1388209546.db2.gz PCBZCOSVAOSILO-JXFKEZNVSA-N 2 0 343.515 3.238 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001326585086 1388248894 /nfs/dbraw/zinc/24/88/94/1388248894.db2.gz BPERFPIAGKDVAN-SREVYHEPSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C(=O)N1CC2(C1)CC[NH+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001326586220 1388249519 /nfs/dbraw/zinc/24/95/19/1388249519.db2.gz UQLYDNFRTKZBMC-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001326713589 1388287945 /nfs/dbraw/zinc/28/79/45/1388287945.db2.gz GHMDICWUTSKSOT-HSALFYBXSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265627598 1377155623 /nfs/dbraw/zinc/15/56/23/1377155623.db2.gz FFWWPPISVKQEAP-RRFGBZISSA-N 2 0 349.563 3.293 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001266143501 1377206282 /nfs/dbraw/zinc/20/62/82/1377206282.db2.gz HJLLSPKENHMCSA-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CCCCC1 ZINC001266155347 1377209327 /nfs/dbraw/zinc/20/93/27/1377209327.db2.gz MCRPKBYLOPJSBC-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP C[NH+]1CCC(CC(=O)NCCC[N@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001266161875 1377211659 /nfs/dbraw/zinc/21/16/59/1377211659.db2.gz JBKPTLYVBFUBJL-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001266224649 1377235929 /nfs/dbraw/zinc/23/59/29/1377235929.db2.gz BVMWKATWUGADRA-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266853146 1377394501 /nfs/dbraw/zinc/39/45/01/1377394501.db2.gz GODLTMCFVNVGCD-SBUVDCAVSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001266897578 1377400553 /nfs/dbraw/zinc/40/05/53/1377400553.db2.gz OMEYNSJAIGFAIT-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267072642 1377410582 /nfs/dbraw/zinc/41/05/82/1377410582.db2.gz GKTHGXGZKHHEOH-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001267086167 1377411379 /nfs/dbraw/zinc/41/13/79/1377411379.db2.gz MUNPZIHMQCYHFE-MOPGFXCFSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H](CC[NH+](C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001136797615 1377424574 /nfs/dbraw/zinc/42/45/74/1377424574.db2.gz OGTGQRULHDDARO-ROUUACIJSA-N 2 0 345.531 3.354 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCC1 ZINC001268161541 1377489928 /nfs/dbraw/zinc/48/99/28/1377489928.db2.gz ZZQSEDRZMWUONR-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001268164670 1377490488 /nfs/dbraw/zinc/49/04/88/1377490488.db2.gz YFHSLGIEORIEER-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001270830919 1377614953 /nfs/dbraw/zinc/61/49/53/1377614953.db2.gz UUINGSMMHGSHLQ-ICSRJNTNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)Cn1ccnc1C(C)C ZINC001271740655 1377648782 /nfs/dbraw/zinc/64/87/82/1377648782.db2.gz UDXTZULRYMPQIB-ROUUACIJSA-N 2 0 348.535 3.413 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001327448384 1388521862 /nfs/dbraw/zinc/52/18/62/1388521862.db2.gz ANKOTHOHLWJIPK-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001327468526 1388528277 /nfs/dbraw/zinc/52/82/77/1388528277.db2.gz NHKBVYGLUYREAG-ROUUACIJSA-N 2 0 347.528 3.331 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001327473741 1388528986 /nfs/dbraw/zinc/52/89/86/1388528986.db2.gz BXAWLMPIXZFACZ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001327475645 1388530036 /nfs/dbraw/zinc/53/00/36/1388530036.db2.gz WPNDVMCLWAPMPO-IBGZPJMESA-N 2 0 345.531 3.196 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001272781576 1378081196 /nfs/dbraw/zinc/08/11/96/1378081196.db2.gz IANJTRPLQBVCKR-GOSISDBHSA-N 2 0 345.531 3.244 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCC1 ZINC001273084619 1378086993 /nfs/dbraw/zinc/08/69/93/1378086993.db2.gz VIWDHBLXKOQAEY-WAYWQWQTSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001273166336 1378090666 /nfs/dbraw/zinc/09/06/66/1378090666.db2.gz OYFYOEYYWLWQLH-KRWDZBQOSA-N 2 0 349.544 3.140 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001327488296 1388533117 /nfs/dbraw/zinc/53/31/17/1388533117.db2.gz FXLDAQMUYOIBJN-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001279368037 1378307728 /nfs/dbraw/zinc/30/77/28/1378307728.db2.gz FXGJZHWDQRHRBE-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001280171883 1378333185 /nfs/dbraw/zinc/33/31/85/1378333185.db2.gz AEFQLXQJXIIUBL-LJQANCHMSA-N 2 0 347.547 3.047 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001327528893 1388550882 /nfs/dbraw/zinc/55/08/82/1388550882.db2.gz DNSYNLDZLAMKRV-NQIIRXRSSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001283052294 1378717928 /nfs/dbraw/zinc/71/79/28/1378717928.db2.gz NWZFWXQONKUSLH-GUDVDZBRSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001283186350 1378755716 /nfs/dbraw/zinc/75/57/16/1378755716.db2.gz OAOWAVXQDXCQGE-JKSUJKDBSA-N 2 0 349.494 3.246 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001283192401 1378758291 /nfs/dbraw/zinc/75/82/91/1378758291.db2.gz QFWIBYNEHSOLCF-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248733 1378770895 /nfs/dbraw/zinc/77/08/95/1378770895.db2.gz OLZMKPVOHIFLNT-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001283434389 1378926136 /nfs/dbraw/zinc/92/61/36/1378926136.db2.gz PCOKUGNWXVHMKV-RBUKOAKNSA-N 2 0 331.504 3.106 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001327696823 1388586510 /nfs/dbraw/zinc/58/65/10/1388586510.db2.gz XGJRNQOFCHLEIE-FQEVSTJZSA-N 2 0 345.531 3.395 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283623936 1379061610 /nfs/dbraw/zinc/06/16/10/1379061610.db2.gz XRKLRIADZUBSOH-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001283652237 1379082217 /nfs/dbraw/zinc/08/22/17/1379082217.db2.gz DNXPTZLSAQBPNP-ZWKOTPCHSA-N 2 0 345.531 3.367 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001283677019 1379104582 /nfs/dbraw/zinc/10/45/82/1379104582.db2.gz GZGJWRMCOVNBSS-WMZOPIPTSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001283720237 1379141199 /nfs/dbraw/zinc/14/11/99/1379141199.db2.gz ARJJSTBEIRSXBU-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001284035023 1379384934 /nfs/dbraw/zinc/38/49/34/1379384934.db2.gz YOCRBXYOBPUOFK-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001284292415 1379680777 /nfs/dbraw/zinc/68/07/77/1379680777.db2.gz GFNXYHGCUNMOBH-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001327925405 1388624700 /nfs/dbraw/zinc/62/47/00/1388624700.db2.gz SUTUQRJCZZGLCR-UEALOQRBSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC001152052787 1379851740 /nfs/dbraw/zinc/85/17/40/1379851740.db2.gz JFEVMIIXNCUWTD-RTBURBONSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284533973 1379940514 /nfs/dbraw/zinc/94/05/14/1379940514.db2.gz UMLFCKQEHMGVQW-HXUWFJFHSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001284653120 1380067756 /nfs/dbraw/zinc/06/77/56/1380067756.db2.gz PDOFEFWFHQAIKB-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001284726496 1380147213 /nfs/dbraw/zinc/14/72/13/1380147213.db2.gz ZDZRVBJQXHNBQT-QWNKOJSDSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001284958880 1380329495 /nfs/dbraw/zinc/32/94/95/1380329495.db2.gz CVZIAYAGLNBQJZ-UHFFFAOYSA-N 2 0 349.563 3.293 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001328081028 1388664006 /nfs/dbraw/zinc/66/40/06/1388664006.db2.gz HWESLPVUYQACGQ-RCCFBDPRSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC001328157114 1388683214 /nfs/dbraw/zinc/68/32/14/1388683214.db2.gz BMNYUFVNKZTQBL-AVRDEDQJSA-N 2 0 338.495 3.282 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC001328286491 1388716110 /nfs/dbraw/zinc/71/61/10/1388716110.db2.gz UTOZHZFOJCWVIR-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C\Cl ZINC001328389010 1388735243 /nfs/dbraw/zinc/73/52/43/1388735243.db2.gz UCKNAIVSHVOQCN-LWGUHVDUSA-N 2 0 341.927 3.020 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001328589332 1388785107 /nfs/dbraw/zinc/78/51/07/1388785107.db2.gz YWDSIIOXTJQXAN-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001698611100 1406240465 /nfs/dbraw/zinc/24/04/65/1406240465.db2.gz VLSGXUCHYHDORF-PKOBYXMFSA-N 2 0 335.536 3.068 10 0 EGAERP CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001328692876 1388810509 /nfs/dbraw/zinc/81/05/09/1388810509.db2.gz CBVMBXTWTKGCPW-TZIWHRDSSA-N 2 0 343.515 3.034 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001698611099 1406240656 /nfs/dbraw/zinc/24/06/56/1406240656.db2.gz VLSGXUCHYHDORF-MJGOQNOKSA-N 2 0 335.536 3.068 10 0 EGAERP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001298899589 1383443104 /nfs/dbraw/zinc/44/31/04/1383443104.db2.gz XAQAADCPGVFXCJ-MOPGFXCFSA-N 2 0 335.536 3.118 10 0 EGAERP CC(C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001300263156 1383656821 /nfs/dbraw/zinc/65/68/21/1383656821.db2.gz TXWDQPHECHTJCJ-FQEVSTJZSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001316610099 1384480173 /nfs/dbraw/zinc/48/01/73/1384480173.db2.gz HCEYRCVSUGTLOG-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001316624834 1384490427 /nfs/dbraw/zinc/49/04/27/1384490427.db2.gz OSXGSQMYLHITJZ-MKXGPGLRSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1)n1ccnc1 ZINC001316662123 1384510365 /nfs/dbraw/zinc/51/03/65/1384510365.db2.gz CVSJYVIOJIKVBM-YESZJQIVSA-N 2 0 334.508 3.145 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316680626 1384521556 /nfs/dbraw/zinc/52/15/56/1384521556.db2.gz GVKKNTJDMLHPJM-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316774260 1384572996 /nfs/dbraw/zinc/57/29/96/1384572996.db2.gz QAXAPVBOPOGWCT-XJDXJNMNSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316811884 1384610265 /nfs/dbraw/zinc/61/02/65/1384610265.db2.gz QCOOHJFSGYRIEY-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](CC(=O)NCCC[N@@H+](C)CC1CCC(C)(C)CC1)C1CCC1 ZINC001316828750 1384621744 /nfs/dbraw/zinc/62/17/44/1384621744.db2.gz UJASYYLZRQUUIR-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877689 1384662045 /nfs/dbraw/zinc/66/20/45/1384662045.db2.gz FYMVUDRUMOELAE-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)Cc1ccccc1 ZINC001316905077 1384684303 /nfs/dbraw/zinc/68/43/03/1384684303.db2.gz YGMYBXOJFBMEJC-IBGZPJMESA-N 2 0 345.531 3.279 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001316942377 1384713191 /nfs/dbraw/zinc/71/31/91/1384713191.db2.gz BRUVRZGZBNXRDO-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001316999234 1384756451 /nfs/dbraw/zinc/75/64/51/1384756451.db2.gz UPJMRCRZKZVWOE-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014367 1384778617 /nfs/dbraw/zinc/77/86/17/1384778617.db2.gz ULRODCNWTWYPTN-ZWKOTPCHSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1)[NH+]1CCCC1 ZINC001317035448 1384805770 /nfs/dbraw/zinc/80/57/70/1384805770.db2.gz UFAKEOQWZWYZHV-ZWKOTPCHSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C\Cl)C1)[NH+](CC)CC ZINC001317040759 1384813545 /nfs/dbraw/zinc/81/35/45/1384813545.db2.gz GACFFQHRESUXMT-UMYABFQBSA-N 2 0 343.943 3.030 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CCC2=CCCCC2)C1 ZINC001317042659 1384816206 /nfs/dbraw/zinc/81/62/06/1384816206.db2.gz ZLZFRZSPGSOIPA-HXUWFJFHSA-N 2 0 349.563 3.389 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@H]21 ZINC001317106214 1384870559 /nfs/dbraw/zinc/87/05/59/1384870559.db2.gz SNSPYVNIUSXLQF-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001317135701 1384899317 /nfs/dbraw/zinc/89/93/17/1384899317.db2.gz QBJYMPRUPROJFF-OTWHNJEPSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001317162857 1384925696 /nfs/dbraw/zinc/92/56/96/1384925696.db2.gz XSAKDJATECONBK-UYAOXDASSA-N 2 0 345.531 3.164 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317167967 1384932259 /nfs/dbraw/zinc/93/22/59/1384932259.db2.gz XEVPJQDWQLMSTL-MJGOQNOKSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317183227 1384958738 /nfs/dbraw/zinc/95/87/38/1384958738.db2.gz NIKRRERGGXWDOZ-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001317185486 1384960570 /nfs/dbraw/zinc/96/05/70/1384960570.db2.gz VBRJRAJHSNSDKY-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317192905 1384967384 /nfs/dbraw/zinc/96/73/84/1384967384.db2.gz HSKTZBSNSIEYNG-RTBURBONSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205859 1384982102 /nfs/dbraw/zinc/98/21/02/1384982102.db2.gz BJJQDHFWLCEBAO-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C(=O)NC1CCC([NH2+]CCCCCF)CC1)[NH+]1CCCC1 ZINC001317218684 1384998873 /nfs/dbraw/zinc/99/88/73/1384998873.db2.gz KQSQXYIPEKNHGC-UHFFFAOYSA-N 2 0 341.515 3.018 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001317294817 1385067023 /nfs/dbraw/zinc/06/70/23/1385067023.db2.gz RLBQNJPUQKXETP-PDFDFPQMSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317294813 1385067182 /nfs/dbraw/zinc/06/71/82/1385067182.db2.gz RLAGKNHHBOKIHK-AOCRQIFASA-N 2 0 339.568 3.273 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001317346102 1385096471 /nfs/dbraw/zinc/09/64/71/1385096471.db2.gz OEEYKOPYSIAHOF-FQEVSTJZSA-N 2 0 347.547 3.191 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355776 1385102181 /nfs/dbraw/zinc/10/21/81/1385102181.db2.gz MOABEPHNSXPUOV-DLBZAZTESA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001317411153 1385122304 /nfs/dbraw/zinc/12/23/04/1385122304.db2.gz BSECYTKFPFBUAU-NVXWUHKLSA-N 2 0 325.541 3.027 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CCC1=CCCCC1 ZINC001317488659 1385186779 /nfs/dbraw/zinc/18/67/79/1385186779.db2.gz UVKHXOBTSKLJGW-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001317516728 1385233002 /nfs/dbraw/zinc/23/30/02/1385233002.db2.gz PYQUJYKNNRLTSV-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317519895 1385237895 /nfs/dbraw/zinc/23/78/95/1385237895.db2.gz HLQGZPHCWAKENL-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317524755 1385244667 /nfs/dbraw/zinc/24/46/67/1385244667.db2.gz BOWRXGXBONHHTP-HPFMTEOYSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001317552511 1385313506 /nfs/dbraw/zinc/31/35/06/1385313506.db2.gz SUUQDKSJFZGHKV-HKUYNNGSSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@@H](CCNC(=O)CC[NH+](C)C)C2)cc1 ZINC001317800767 1385494477 /nfs/dbraw/zinc/49/44/77/1385494477.db2.gz KDZUGNLLUDWJLP-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001318406414 1385676932 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345.531 3.061 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001319070036 1385951547 /nfs/dbraw/zinc/95/15/47/1385951547.db2.gz WAXNEEMFTUFFNJ-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001698626764 1406269077 /nfs/dbraw/zinc/26/90/77/1406269077.db2.gz OESSFMAKCICOPU-KRWDZBQOSA-N 2 0 349.544 3.140 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001319478225 1386139850 /nfs/dbraw/zinc/13/98/50/1386139850.db2.gz SLHBJAKLBBZMMF-OXQOHEQNSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)cc1 ZINC001319524605 1386159819 /nfs/dbraw/zinc/15/98/19/1386159819.db2.gz HFNCAQUSHAVXQF-IRXDYDNUSA-N 2 0 333.520 3.259 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)N(C)C(=O)CC[NH+](C)C ZINC001319524684 1386159824 /nfs/dbraw/zinc/15/98/24/1386159824.db2.gz IDRSHDMCEPQPTN-IRXDYDNUSA-N 2 0 341.499 3.289 10 0 EGAERP 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ZINC001319935891 1386402693 /nfs/dbraw/zinc/40/26/93/1386402693.db2.gz MPFOWURODMTEHM-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP CCc1ccccc1C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320084246 1386499941 /nfs/dbraw/zinc/49/99/41/1386499941.db2.gz FWZMSOSRDIJJSB-QZTJIDSGSA-N 2 0 345.531 3.012 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001320103629 1386514698 /nfs/dbraw/zinc/51/46/98/1386514698.db2.gz LXDXWFNKJXZGRA-WYNBNGFRSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320135010 1386531065 /nfs/dbraw/zinc/53/10/65/1386531065.db2.gz SZNBDQQBZOHXPV-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320145994 1386535060 /nfs/dbraw/zinc/53/50/60/1386535060.db2.gz JRGMPCRHOPFBNV-MOPGFXCFSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001320416867 1386604000 /nfs/dbraw/zinc/60/40/00/1386604000.db2.gz 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Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(C)c1 ZINC001320527585 1386638097 /nfs/dbraw/zinc/63/80/97/1386638097.db2.gz BCNFECODHUUAMH-FHWLQOOXSA-N 2 0 345.531 3.018 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320778287 1386715754 /nfs/dbraw/zinc/71/57/54/1386715754.db2.gz REAAJVGCEBCXLP-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001320821422 1386729122 /nfs/dbraw/zinc/72/91/22/1386729122.db2.gz UKJUNVSWFVQMJQ-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1)[NH+](C)C ZINC001698670954 1406320593 /nfs/dbraw/zinc/32/05/93/1406320593.db2.gz BVYZAOGYNQOVJE-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001321188948 1386835730 /nfs/dbraw/zinc/83/57/30/1386835730.db2.gz KQGGKUPDLNKWSW-HOQHSMRBSA-N 2 0 343.515 3.227 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001698678738 1406326039 /nfs/dbraw/zinc/32/60/39/1406326039.db2.gz CUVBYQCBQAMHQU-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001321514478 1386920502 /nfs/dbraw/zinc/92/05/02/1386920502.db2.gz WICXEHATLVXQQO-QGZVFWFLSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001322159027 1387081704 /nfs/dbraw/zinc/08/17/04/1387081704.db2.gz XWTPYRVFRXUSFR-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001322177719 1387089352 /nfs/dbraw/zinc/08/93/52/1387089352.db2.gz VOJTWHYFWSHLPD-MSOLQXFVSA-N 2 0 345.531 3.285 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CC2=CCCCC2)C1 ZINC001322231179 1387112797 /nfs/dbraw/zinc/11/27/97/1387112797.db2.gz RDUXDSATGKWELF-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CCc1cccc(C[NH+](C)C[C@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001322307700 1387153054 /nfs/dbraw/zinc/15/30/54/1387153054.db2.gz RQXCRMIIDXJPCX-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC1CCC(C[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001322550180 1387203960 /nfs/dbraw/zinc/20/39/60/1387203960.db2.gz XNFSIGLKACRTKJ-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](F)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001329243611 1389033737 /nfs/dbraw/zinc/03/37/37/1389033737.db2.gz NLWRCMDCWXTBMQ-GTPINHCMSA-N 2 0 343.531 3.072 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001329341719 1389067925 /nfs/dbraw/zinc/06/79/25/1389067925.db2.gz FYOMKWGWPAGLQP-SFHVURJKSA-N 2 0 337.552 3.291 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001329358820 1389074373 /nfs/dbraw/zinc/07/43/73/1389074373.db2.gz SDDZSPBFVFJLDH-UHFFFAOYSA-N 2 0 347.547 3.218 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCC(C)CC1 ZINC001329357947 1389074613 /nfs/dbraw/zinc/07/46/13/1389074613.db2.gz GKMGATNCDDZBHV-UHFFFAOYSA-N 2 0 339.568 3.227 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC001329440102 1389111955 /nfs/dbraw/zinc/11/19/55/1389111955.db2.gz GNWZFTGLRPDFED-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccc(F)cc2)CC1 ZINC001698714827 1406357678 /nfs/dbraw/zinc/35/76/78/1406357678.db2.gz NIUBXLGIMCMNRE-ATZDWAIDSA-N 2 0 349.494 3.244 10 0 EGAERP Cc1cc(C)c(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001329475280 1389123675 /nfs/dbraw/zinc/12/36/75/1389123675.db2.gz UZBSKHVRTZLZFQ-UYAOXDASSA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001329622795 1389187743 /nfs/dbraw/zinc/18/77/43/1389187743.db2.gz GPQVRHRMUMGNAP-KRWDZBQOSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001329622322 1389188223 /nfs/dbraw/zinc/18/82/23/1389188223.db2.gz CVILFRAZHCLDOK-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329730597 1389210524 /nfs/dbraw/zinc/21/05/24/1389210524.db2.gz GAFYZLVUBXTXRI-HUUCEWRRSA-N 2 0 327.513 3.094 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1 ZINC001329860640 1389238590 /nfs/dbraw/zinc/23/85/90/1389238590.db2.gz KDOYSKZMOHPRLZ-LQTPYWCBSA-N 2 0 341.927 3.020 10 0 EGAERP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001329937263 1389266482 /nfs/dbraw/zinc/26/64/82/1389266482.db2.gz NQEYWBVRQZMPIB-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](CC)c2ccccc2)CC1(C)C ZINC001330244016 1389361104 /nfs/dbraw/zinc/36/11/04/1389361104.db2.gz IJOZUCQOZPDBCA-MOPGFXCFSA-N 2 0 345.531 3.306 10 0 EGAERP CC1(C)C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001330261103 1389369315 /nfs/dbraw/zinc/36/93/15/1389369315.db2.gz FVMXUPCWDPTTEN-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001330650095 1389482904 /nfs/dbraw/zinc/48/29/04/1389482904.db2.gz GAVHWZRVZMWLSD-QGZVKYPTSA-N 2 0 345.531 3.127 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CC(C)(C)C1 ZINC001331212006 1389655670 /nfs/dbraw/zinc/65/56/70/1389655670.db2.gz PMJJQNSWPXVIPH-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644643 1389843703 /nfs/dbraw/zinc/84/37/03/1389843703.db2.gz PYTJYIITYUROLQ-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001332100970 1389983819 /nfs/dbraw/zinc/98/38/19/1389983819.db2.gz QOUGFTAWGFNMKR-FPOVZHCZSA-N 2 0 347.547 3.164 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001332108981 1389988256 /nfs/dbraw/zinc/98/82/56/1389988256.db2.gz DKDUPDWMWAMMIE-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+]([C@H](C)c1ccccc1)CC2 ZINC001332117450 1389994670 /nfs/dbraw/zinc/99/46/70/1389994670.db2.gz MHWZXQZDWONIPC-QFUCXCTJSA-N 2 0 343.515 3.201 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001332140726 1390004444 /nfs/dbraw/zinc/00/44/44/1390004444.db2.gz PACJTGILVAWWLU-GUDVDZBRSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001332183995 1390028030 /nfs/dbraw/zinc/02/80/30/1390028030.db2.gz GOSVYPHFEQPCJW-SJLPKXTDSA-N 2 0 337.552 3.409 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332343535 1390092654 /nfs/dbraw/zinc/09/26/54/1390092654.db2.gz ZBYCTCLFBWYGQR-PXNSSMCTSA-N 2 0 345.531 3.282 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001332807302 1390191604 /nfs/dbraw/zinc/19/16/04/1390191604.db2.gz IDKYIGKKGBHNJG-IPMKNSEASA-N 2 0 349.563 3.338 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332855413 1390201550 /nfs/dbraw/zinc/20/15/50/1390201550.db2.gz CBLCISUSTASZOJ-QZTJIDSGSA-N 2 0 333.520 3.210 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N(C)C1CC([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001333141935 1390255788 /nfs/dbraw/zinc/25/57/88/1390255788.db2.gz SAEAZGIEYXKRME-MHJFOBGBSA-N 2 0 343.515 3.059 10 0 EGAERP CC[C@H](C(=O)NC1(C2CC[NH+](CCCC(C)C)CC2)CC1)[NH+](C)C ZINC001333180402 1390262274 /nfs/dbraw/zinc/26/22/74/1390262274.db2.gz QSEWRGYXTPERPJ-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001486441806 1391008502 /nfs/dbraw/zinc/00/85/02/1391008502.db2.gz SQBHCEIYRXCTMP-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001698802583 1406480601 /nfs/dbraw/zinc/48/06/01/1406480601.db2.gz IBDLRLXVFUHEBY-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001698803487 1406482157 /nfs/dbraw/zinc/48/21/57/1406482157.db2.gz NLZZTORRBLEENB-SFHVURJKSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CCCC(C)(C)C)C2)CC1 ZINC001698810373 1406496572 /nfs/dbraw/zinc/49/65/72/1406496572.db2.gz CIHUHUQTWWLKDK-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+]1CC=C(C[NH2+]CC2C[C@H]3CC[C@@H](C2)N3C(=O)OC(C)(C)C)CC1 ZINC001353583970 1392044228 /nfs/dbraw/zinc/04/42/28/1392044228.db2.gz JYMXBBGCIXYZFT-AYHJJNSGSA-N 2 0 349.519 3.016 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC(C)(C)C ZINC001699539701 1412913415 /nfs/dbraw/zinc/91/34/15/1412913415.db2.gz UMAOTICZGAWKLN-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001479338612 1392219434 /nfs/dbraw/zinc/21/94/34/1392219434.db2.gz YHUCTRHUPDPENR-ZRNYENFQSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001479345274 1392220564 /nfs/dbraw/zinc/22/05/64/1392220564.db2.gz UBEPKGLLASRPSJ-HDICACEKSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2F)C1 ZINC001479495511 1392256331 /nfs/dbraw/zinc/25/63/31/1392256331.db2.gz PFRDMZSTNBZQIM-IXDOHACOSA-N 2 0 349.494 3.101 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001479523916 1392268087 /nfs/dbraw/zinc/26/80/87/1392268087.db2.gz GIOPZSQWNXTWRW-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001479687640 1392319489 /nfs/dbraw/zinc/31/94/89/1392319489.db2.gz KNYPKBLJPPDSQT-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)[NH+](CC)CC ZINC001479737992 1392350285 /nfs/dbraw/zinc/35/02/85/1392350285.db2.gz RRNJIVZJDAVEOZ-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001479889545 1392460238 /nfs/dbraw/zinc/46/02/38/1392460238.db2.gz DNDZSECYVLMXRI-WAYWQWQTSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001479894892 1392464244 /nfs/dbraw/zinc/46/42/44/1392464244.db2.gz IORPOMWRADAMMG-QZTJIDSGSA-N 2 0 337.552 3.218 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001479915312 1392483020 /nfs/dbraw/zinc/48/30/20/1392483020.db2.gz QTIIPJMTGUXHLL-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479980884 1392514068 /nfs/dbraw/zinc/51/40/68/1392514068.db2.gz KLEOIPUSYUWPLG-WLMAVBAVSA-N 2 0 347.547 3.186 10 0 EGAERP Cc1c(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001480031651 1392542484 /nfs/dbraw/zinc/54/24/84/1392542484.db2.gz YJAOTRPASYRULK-GOSISDBHSA-N 2 0 342.487 3.177 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001480042167 1392547378 /nfs/dbraw/zinc/54/73/78/1392547378.db2.gz DAYHULUUEWOQRE-SZMVWBNQSA-N 2 0 337.552 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001480208259 1392623281 /nfs/dbraw/zinc/62/32/81/1392623281.db2.gz BCMDZCQZZLUJIP-HSALFYBXSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480216042 1392624785 /nfs/dbraw/zinc/62/47/85/1392624785.db2.gz OBPYDVBJLPBAQU-SPCWZHTESA-N 2 0 335.536 3.092 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001480232620 1392629574 /nfs/dbraw/zinc/62/95/74/1392629574.db2.gz OUMVJVMMZGVKBO-XQJILKQCSA-N 2 0 335.536 3.090 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001480233916 1392629757 /nfs/dbraw/zinc/62/97/57/1392629757.db2.gz SFPKCXVCKFCYSY-XSYGEPLQSA-N 2 0 345.531 3.187 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001480233915 1392630048 /nfs/dbraw/zinc/63/00/48/1392630048.db2.gz SFPKCXVCKFCYSY-GNBUJSLZSA-N 2 0 345.531 3.187 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001480266253 1392650174 /nfs/dbraw/zinc/65/01/74/1392650174.db2.gz WFZTZYBDUCRVFY-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001480272248 1392655133 /nfs/dbraw/zinc/65/51/33/1392655133.db2.gz PPYNJUQVKGKEPN-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001480346910 1392698691 /nfs/dbraw/zinc/69/86/91/1392698691.db2.gz ZVNQIEUKRPTXHF-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001480359245 1392704477 /nfs/dbraw/zinc/70/44/77/1392704477.db2.gz KSVRBIZSWXROLG-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001480365363 1392708910 /nfs/dbraw/zinc/70/89/10/1392708910.db2.gz DJQLUTOESGQIDC-UXHICEINSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC ZINC001480373647 1392716271 /nfs/dbraw/zinc/71/62/71/1392716271.db2.gz RCUJUBRMOSDPPA-OALUTQOASA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001480409825 1392746210 /nfs/dbraw/zinc/74/62/10/1392746210.db2.gz UKXIAWHGKAYFOL-BTCHSPJXSA-N 2 0 341.927 3.019 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)Cc2c[nH]cn2)cc1 ZINC001480552640 1392790074 /nfs/dbraw/zinc/79/00/74/1392790074.db2.gz KZMAOQSNTHYCNG-HOTGVXAUSA-N 2 0 342.487 3.006 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001480595899 1392811680 /nfs/dbraw/zinc/81/16/80/1392811680.db2.gz FPWATZYENCWKRQ-RTBURBONSA-N 2 0 345.531 3.335 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696314 1392859777 /nfs/dbraw/zinc/85/97/77/1392859777.db2.gz HOFHHMDKGNJOHE-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001480753345 1392914349 /nfs/dbraw/zinc/91/43/49/1392914349.db2.gz FGIATBPRGJJPOK-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001480764629 1392920001 /nfs/dbraw/zinc/92/00/01/1392920001.db2.gz OJPJXRBMYATPJN-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1=CCCCC1 ZINC001480782513 1392930708 /nfs/dbraw/zinc/93/07/08/1392930708.db2.gz TXAJGVOSBMTNMC-GOSISDBHSA-N 2 0 349.563 3.483 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001480786027 1392932483 /nfs/dbraw/zinc/93/24/83/1392932483.db2.gz KMUKKZMFTFXMEW-HKUYNNGSSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001480812843 1392950907 /nfs/dbraw/zinc/95/09/07/1392950907.db2.gz DPCXEFRPDFKVFS-OAHLLOKOSA-N 2 0 347.528 3.226 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001480813859 1392951422 /nfs/dbraw/zinc/95/14/22/1392951422.db2.gz NAZFKBVQBIINAE-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CCc1cccc(C[N@H+](CC)CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC001481018420 1393094346 /nfs/dbraw/zinc/09/43/46/1393094346.db2.gz LNOFJQNWKBLCEW-HDICACEKSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481095836 1393118656 /nfs/dbraw/zinc/11/86/56/1393118656.db2.gz NQRTWDGJJYJZGA-HHOLJBISSA-N 2 0 347.547 3.188 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001481287401 1393158534 /nfs/dbraw/zinc/15/85/34/1393158534.db2.gz WWDTURDCPRIJOL-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698914146 1406647594 /nfs/dbraw/zinc/64/75/94/1406647594.db2.gz KCSBLGSOOCTFNI-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001698918971 1406653829 /nfs/dbraw/zinc/65/38/29/1406653829.db2.gz ZCWCJUKVBFZOAW-SGSXCFNPSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCC2CCCC2)C1 ZINC001698919613 1406654043 /nfs/dbraw/zinc/65/40/43/1406654043.db2.gz CSPHJTGMZVYKMJ-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001490617913 1394285262 /nfs/dbraw/zinc/28/52/62/1394285262.db2.gz VHXSTIMVBMMJLZ-HKUYNNGSSA-N 2 0 335.536 3.115 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481434458 1394290720 /nfs/dbraw/zinc/29/07/20/1394290720.db2.gz OGHWUJVVSXDTLH-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001491154257 1394452564 /nfs/dbraw/zinc/45/25/64/1394452564.db2.gz QRCUGBZDOJZZKA-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174268 1394458852 /nfs/dbraw/zinc/45/88/52/1394458852.db2.gz XISLJZVNEIYCKU-UYAOXDASSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001491231409 1394486006 /nfs/dbraw/zinc/48/60/06/1394486006.db2.gz ZLYNBDQVWDYMLZ-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001481751858 1394496223 /nfs/dbraw/zinc/49/62/23/1394496223.db2.gz QLBVHJFZEHXSRT-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481753279 1394497267 /nfs/dbraw/zinc/49/72/67/1394497267.db2.gz RJHAEXRQVJQKFY-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481781352 1394525851 /nfs/dbraw/zinc/52/58/51/1394525851.db2.gz CDJBHYYXUJDPGW-PMACEKPBSA-N 2 0 343.515 3.156 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C/Cl ZINC001481844749 1394555528 /nfs/dbraw/zinc/55/55/28/1394555528.db2.gz SOPAGLWHEHTYPV-YMWPRZBKSA-N 2 0 341.927 3.020 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001481941975 1394608035 /nfs/dbraw/zinc/60/80/35/1394608035.db2.gz YWVKKXLGDLOESV-UTKZUKDTSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001481999413 1394658331 /nfs/dbraw/zinc/65/83/31/1394658331.db2.gz SWHIMIAGCVDHGK-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)CCC1 ZINC001482031177 1394691576 /nfs/dbraw/zinc/69/15/76/1394691576.db2.gz DLBMHALKHRLXLD-UHFFFAOYSA-N 2 0 345.531 3.313 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962374 1406717295 /nfs/dbraw/zinc/71/72/95/1406717295.db2.gz PRUYPBQNAHFLHH-ROUUACIJSA-N 2 0 337.552 3.026 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)C1 ZINC001482235908 1394831242 /nfs/dbraw/zinc/83/12/42/1394831242.db2.gz XTGBAOULAKOEMR-IBGZPJMESA-N 2 0 347.547 3.237 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001482294208 1394872238 /nfs/dbraw/zinc/87/22/38/1394872238.db2.gz YWZBOCSTWJTNSF-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001482427878 1394988973 /nfs/dbraw/zinc/98/89/73/1394988973.db2.gz DRTYPBAJSFFBGO-XLIONFOSSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001482436558 1394997700 /nfs/dbraw/zinc/99/77/00/1394997700.db2.gz VOYVPBUWNOFLBZ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC1CCC1 ZINC001482447140 1395006094 /nfs/dbraw/zinc/00/60/94/1395006094.db2.gz ZZQSEDRZMWUONR-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001482451048 1395009938 /nfs/dbraw/zinc/00/99/38/1395009938.db2.gz QVPCHTAMFLMUDT-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001482508091 1395061012 /nfs/dbraw/zinc/06/10/12/1395061012.db2.gz NAKWAYKIFHUISW-XJDXJNMNSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001483913131 1395141955 /nfs/dbraw/zinc/14/19/55/1395141955.db2.gz FLWBONGAGATAMW-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001483915063 1395142963 /nfs/dbraw/zinc/14/29/63/1395142963.db2.gz CSHRHFOFROELBK-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccc(C)cc1)C1CCCC1)[NH+](C)C ZINC001484012782 1395185912 /nfs/dbraw/zinc/18/59/12/1395185912.db2.gz MNSYJRRPTGWGNB-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484142252 1395278783 /nfs/dbraw/zinc/27/87/83/1395278783.db2.gz WLYZRYKLVKILQO-OVKVCFKUSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001484147267 1395283604 /nfs/dbraw/zinc/28/36/04/1395283604.db2.gz SDNDPVLLJMIQSC-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001484161682 1395295410 /nfs/dbraw/zinc/29/54/10/1395295410.db2.gz SXWUHPUXBQPDDS-TZIWHRDSSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484170833 1395311826 /nfs/dbraw/zinc/31/18/26/1395311826.db2.gz ZMHMXTLTZBTMPS-LYSGITKLSA-N 2 0 349.563 3.293 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484358986 1395345527 /nfs/dbraw/zinc/34/55/27/1395345527.db2.gz QKBMWVQFTMPVOZ-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001484557866 1395439639 /nfs/dbraw/zinc/43/96/39/1395439639.db2.gz YEHPOWOUNYBSGD-ROUUACIJSA-N 2 0 345.531 3.408 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[NH+](CCC2CC2)CC1 ZINC001484719123 1395480488 /nfs/dbraw/zinc/48/04/88/1395480488.db2.gz XSPPWTWJGHDLNV-SFHVURJKSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001484724118 1395487766 /nfs/dbraw/zinc/48/77/66/1395487766.db2.gz NNCHQXNMBJZQKF-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC)([NH2+]CC=C(C)C)CC2)C1 ZINC001484815333 1395549261 /nfs/dbraw/zinc/54/92/61/1395549261.db2.gz GOWIBDJILVYRMI-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001484828497 1395565550 /nfs/dbraw/zinc/56/55/50/1395565550.db2.gz DKAUEYJDNSSBKX-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001484830918 1395568187 /nfs/dbraw/zinc/56/81/87/1395568187.db2.gz NKFQGCJHQXVWBO-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001485194314 1395698835 /nfs/dbraw/zinc/69/88/35/1395698835.db2.gz OLWMAAXUSSFMIR-CVEARBPZSA-N 2 0 327.557 3.273 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001485230098 1395724189 /nfs/dbraw/zinc/72/41/89/1395724189.db2.gz PXBPOKZOUIOGCV-CVEARBPZSA-N 2 0 331.504 3.035 10 0 EGAERP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001485323981 1395799345 /nfs/dbraw/zinc/79/93/45/1395799345.db2.gz WBGCQRDTONJUAA-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CCC1CCCCCC1 ZINC001485340337 1395811556 /nfs/dbraw/zinc/81/15/56/1395811556.db2.gz UDMCEIZLLPPGSR-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001485342022 1395814028 /nfs/dbraw/zinc/81/40/28/1395814028.db2.gz NLGVGLJLWCCHNK-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001485456959 1395927863 /nfs/dbraw/zinc/92/78/63/1395927863.db2.gz FDFMQXGTTMGQTI-OALUTQOASA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001485483443 1395968720 /nfs/dbraw/zinc/96/87/20/1395968720.db2.gz WFZKYOFGHZDLKS-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[NH+](CCCC2CCC2)CC1(C)C ZINC001485571976 1396038070 /nfs/dbraw/zinc/03/80/70/1396038070.db2.gz QAJUTPYJXFVFQS-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001485579288 1396050782 /nfs/dbraw/zinc/05/07/82/1396050782.db2.gz KCFYTBWFWAULMV-PKOBYXMFSA-N 2 0 345.531 3.224 10 0 EGAERP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001485767382 1396144523 /nfs/dbraw/zinc/14/45/23/1396144523.db2.gz YISSUICBSCVKJE-JBVUFVISSA-N 2 0 337.552 3.242 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485930473 1396170346 /nfs/dbraw/zinc/17/03/46/1396170346.db2.gz SBRIXOVFJPBYDW-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001486222182 1396184356 /nfs/dbraw/zinc/18/43/56/1396184356.db2.gz XNPACCAPJPKYPI-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001486240382 1396187482 /nfs/dbraw/zinc/18/74/82/1396187482.db2.gz LHUQELLEVBPEFI-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001501625072 1396194750 /nfs/dbraw/zinc/19/47/50/1396194750.db2.gz CYARYRWHFREQHH-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@@H](C(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2)[NH+]1CCCC1 ZINC001502653613 1396214386 /nfs/dbraw/zinc/21/43/86/1396214386.db2.gz GRUMCQFURWVLKF-FQEVSTJZSA-N 2 0 343.515 3.147 10 0 EGAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001502714629 1396218944 /nfs/dbraw/zinc/21/89/44/1396218944.db2.gz BREZIMCFRMHKBW-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001502747453 1396226470 /nfs/dbraw/zinc/22/64/70/1396226470.db2.gz CSZMMIPJLAZYPU-AZUAARDMSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001503024515 1396241586 /nfs/dbraw/zinc/24/15/86/1396241586.db2.gz YWRMHRKERMXHKY-ICSRJNTNSA-N 2 0 347.547 3.332 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001503200482 1396247364 /nfs/dbraw/zinc/24/73/64/1396247364.db2.gz WESXICQVBLURHO-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001492165240 1396310962 /nfs/dbraw/zinc/31/09/62/1396310962.db2.gz QBIAFUNIAHKVPH-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001492166181 1396311324 /nfs/dbraw/zinc/31/13/24/1396311324.db2.gz IVTHQAQDBQRQJK-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)Cc1ccccc1C(C)C ZINC001493042381 1396333727 /nfs/dbraw/zinc/33/37/27/1396333727.db2.gz CIZGIMGQRBHYRW-SFHVURJKSA-N 2 0 345.531 3.090 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC(C)C)CC1 ZINC001493827702 1396343362 /nfs/dbraw/zinc/34/33/62/1396343362.db2.gz POEOZNXREMVMCS-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001496328538 1396652538 /nfs/dbraw/zinc/65/25/38/1396652538.db2.gz ZGUSPDQEBVTHKA-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001496414126 1396697760 /nfs/dbraw/zinc/69/77/60/1396697760.db2.gz KWXNTWRJWYJOIC-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001497278289 1396744518 /nfs/dbraw/zinc/74/45/18/1396744518.db2.gz VNZWUZBDVHMQDF-SFHVURJKSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001497765654 1396835960 /nfs/dbraw/zinc/83/59/60/1396835960.db2.gz SRHBUSDCMVPCAA-YVACAVLKSA-N 2 0 337.895 3.003 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001689056520 1396858002 /nfs/dbraw/zinc/85/80/02/1396858002.db2.gz VFSQIUKAOGKQQJ-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689089813 1396893898 /nfs/dbraw/zinc/89/38/98/1396893898.db2.gz XVBNSISRDVWYKN-YTWUFAMPSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccsc1 ZINC001689176895 1396959642 /nfs/dbraw/zinc/95/96/42/1396959642.db2.gz OUVLOXVEELIWAI-FGTMMUONSA-N 2 0 349.544 3.092 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001689189850 1396965540 /nfs/dbraw/zinc/96/55/40/1396965540.db2.gz VTHHWVBESAUKTI-OTWHNJEPSA-N 2 0 337.552 3.409 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001689197855 1396968633 /nfs/dbraw/zinc/96/86/33/1396968633.db2.gz HFVNFYGAYYLLQK-OTWHNJEPSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCF)C1)c1ccccc1 ZINC001689272194 1397008918 /nfs/dbraw/zinc/00/89/18/1397008918.db2.gz XRUQJBRKEGNXDU-OALUTQOASA-N 2 0 349.494 3.010 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001689302720 1397026829 /nfs/dbraw/zinc/02/68/29/1397026829.db2.gz VYGQTNNVUXPEFT-QYZOEREBSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699029067 1406866605 /nfs/dbraw/zinc/86/66/05/1406866605.db2.gz OETUEKUSPOPDLS-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+](C/C=C/c1ccccc1)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689820820 1404160128 /nfs/dbraw/zinc/16/01/28/1404160128.db2.gz FKDCVKJRANVNJI-UKTHLTGXSA-N 2 0 343.515 3.012 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001689909192 1404202023 /nfs/dbraw/zinc/20/20/23/1404202023.db2.gz LXTUGBOWKFKTTC-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689911224 1404203738 /nfs/dbraw/zinc/20/37/38/1404203738.db2.gz CMKVAEHZPSEBLE-WYNBNGFRSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001690122737 1404316216 /nfs/dbraw/zinc/31/62/16/1404316216.db2.gz ARBILECYAPDYIA-MOPGFXCFSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168342 1404367311 /nfs/dbraw/zinc/36/73/11/1404367311.db2.gz COUCKZYQGDIRDI-VQIMIIECSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001690175818 1404373285 /nfs/dbraw/zinc/37/32/85/1404373285.db2.gz FSKGSZOWFGKPNA-LJQANCHMSA-N 2 0 349.563 3.027 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001690189608 1404391662 /nfs/dbraw/zinc/39/16/62/1404391662.db2.gz XECVCOKCOSUISN-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001690207358 1404415294 /nfs/dbraw/zinc/41/52/94/1404415294.db2.gz VJBSEAGTDIVJRF-BNLAEDIXSA-N 2 0 347.547 3.282 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001690436736 1404559017 /nfs/dbraw/zinc/55/90/17/1404559017.db2.gz PGHJCCZIKDXBTA-RLWBPELLSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001690457728 1404586691 /nfs/dbraw/zinc/58/66/91/1404586691.db2.gz QDXWKPMZKDQEMV-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499503 1404611805 /nfs/dbraw/zinc/61/18/05/1404611805.db2.gz WGQOVFFGMBPRNY-AEFFLSMTSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690504622 1404616770 /nfs/dbraw/zinc/61/67/70/1404616770.db2.gz GFZYZBGBOSXSHJ-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)Cc2[nH]cnc2C)CC1 ZINC001690544595 1404628719 /nfs/dbraw/zinc/62/87/19/1404628719.db2.gz UKRQJMBELBLIOY-WAYWQWQTSA-N 2 0 332.492 3.024 10 0 EGAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001690811433 1404748605 /nfs/dbraw/zinc/74/86/05/1404748605.db2.gz REBIQZAVIQWDSY-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001690815473 1404750317 /nfs/dbraw/zinc/75/03/17/1404750317.db2.gz UTQZTIYXPTWOJF-GHOSXJJBSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001690857247 1404780279 /nfs/dbraw/zinc/78/02/79/1404780279.db2.gz FTDULFCKBSARSH-QGZVFWFLSA-N 2 0 335.536 3.236 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001690860072 1404781504 /nfs/dbraw/zinc/78/15/04/1404781504.db2.gz RCZYFFOBHXPWIV-BJLQDIEVSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001690881565 1404795014 /nfs/dbraw/zinc/79/50/14/1404795014.db2.gz XAEUGMFCQBTMFH-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP Cc1ccc(C[N@H+]2CCC[C@@H]2CCCNC(=O)CC[NH+](C)C)cc1C ZINC001690907761 1404817710 /nfs/dbraw/zinc/81/77/10/1404817710.db2.gz PNNCGKWGNDKLQY-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCC2=CCCCC2)C1 ZINC001690918067 1404828531 /nfs/dbraw/zinc/82/85/31/1404828531.db2.gz SZHVUONWJNZQKC-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CN(C[C@H]1CC[N@@H+]1CC1CCCC1)C(=O)CC[NH+](C)C1CCCCC1 ZINC001691051246 1404968355 /nfs/dbraw/zinc/96/83/55/1404968355.db2.gz YTHFPIMMSXFRKE-HXUWFJFHSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097224 1405033528 /nfs/dbraw/zinc/03/35/28/1405033528.db2.gz HYCQETWQSROJEZ-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001691172615 1405108007 /nfs/dbraw/zinc/10/80/07/1405108007.db2.gz LFTWZFTXEIPBNX-ZHALLVOQSA-N 2 0 349.563 3.172 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CC2CCC2)CC1 ZINC001691304614 1405199004 /nfs/dbraw/zinc/19/90/04/1405199004.db2.gz CYIPQRNAYJZLCA-ICSRJNTNSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001691352414 1405211630 /nfs/dbraw/zinc/21/16/30/1405211630.db2.gz VTQIKJPMYVWXBC-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392428 1405230294 /nfs/dbraw/zinc/23/02/94/1405230294.db2.gz QIEHUMOWBZAYPZ-LIXSYLKWSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394661 1405232077 /nfs/dbraw/zinc/23/20/77/1405232077.db2.gz BYOVUFZQMZYONK-RTBURBONSA-N 2 0 345.531 3.239 10 0 EGAERP CC/C=C\CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691411224 1405249283 /nfs/dbraw/zinc/24/92/83/1405249283.db2.gz DSUDNNDZQDHTJD-UEIMZRGPSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC3CC3)[C@@H]2C1(C)C ZINC001691428696 1405262898 /nfs/dbraw/zinc/26/28/98/1405262898.db2.gz PPLUQPRABHNGDR-SXLOBPIMSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691585950 1405347093 /nfs/dbraw/zinc/34/70/93/1405347093.db2.gz LXHNPJRWHLVRTK-QLLBUPAMSA-N 2 0 335.536 3.090 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001691636791 1405372734 /nfs/dbraw/zinc/37/27/34/1405372734.db2.gz MYLMRCTWFGOAOV-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC1(C)CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001691681030 1405415746 /nfs/dbraw/zinc/41/57/46/1405415746.db2.gz PYEVXGUQBXJLAZ-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001691683115 1405418489 /nfs/dbraw/zinc/41/84/89/1405418489.db2.gz OTBRLPLTPNZDLV-IEBWSBKVSA-N 2 0 339.568 3.226 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773548 1405484908 /nfs/dbraw/zinc/48/49/08/1405484908.db2.gz YNTBLWNNBSZXAP-YLJYHZDGSA-N 2 0 345.531 3.309 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001691784426 1405492701 /nfs/dbraw/zinc/49/27/01/1405492701.db2.gz ASUQTEBIWPCEJM-RZZOZFHJSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691786409 1405494833 /nfs/dbraw/zinc/49/48/33/1405494833.db2.gz ZBHZKHGZTLLRMY-GUDVDZBRSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001691798556 1405510360 /nfs/dbraw/zinc/51/03/60/1405510360.db2.gz FWAAFBMPZHYVBY-QUCCMNQESA-N 2 0 345.531 3.401 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CCCCCC1 ZINC001731307157 1427248574 /nfs/dbraw/zinc/24/85/74/1427248574.db2.gz WFDZVXKSBKRUSY-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001691823227 1405539249 /nfs/dbraw/zinc/53/92/49/1405539249.db2.gz LDUVPFDXNLIWJI-GFOMBABLSA-N 2 0 337.552 3.290 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001691923815 1405655368 /nfs/dbraw/zinc/65/53/68/1405655368.db2.gz CRMGHJXLKHAKGF-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001691941798 1405664556 /nfs/dbraw/zinc/66/45/56/1405664556.db2.gz FAOCHKSEICGQLV-TXPKVOOTSA-N 2 0 349.494 3.103 10 0 EGAERP CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001691960145 1405677667 /nfs/dbraw/zinc/67/76/67/1405677667.db2.gz LOVYWJVMEPBOEL-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001692027417 1405746607 /nfs/dbraw/zinc/74/66/07/1405746607.db2.gz UTIXPEARBQLVBN-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001692101996 1405771786 /nfs/dbraw/zinc/77/17/86/1405771786.db2.gz WCVXPZWPBZNPMR-RLLQIKCJSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001692188487 1405830034 /nfs/dbraw/zinc/83/00/34/1405830034.db2.gz GJVSAEYJIFDLFX-OKZBNKHCSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CC2(CCC2)C1 ZINC001731804841 1427974591 /nfs/dbraw/zinc/97/45/91/1427974591.db2.gz CKMJIFPNGNMMGR-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001731857099 1428091430 /nfs/dbraw/zinc/09/14/30/1428091430.db2.gz LGVVXVUFOVSYAA-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001731857024 1428091889 /nfs/dbraw/zinc/09/18/89/1428091889.db2.gz JBUVGNOIRARERB-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001692329973 1405948756 /nfs/dbraw/zinc/94/87/56/1405948756.db2.gz QYLBXSJTKBDJIW-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001732012191 1428227382 /nfs/dbraw/zinc/22/73/82/1428227382.db2.gz KTVKYKRKNWKSCF-IBGZPJMESA-N 2 0 343.531 3.216 10 0 EGAERP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001732013547 1428228105 /nfs/dbraw/zinc/22/81/05/1428228105.db2.gz QTMQNYBDOFMCBR-PYUISTEWSA-N 2 0 343.943 3.219 10 0 EGAERP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580473 1406191936 /nfs/dbraw/zinc/19/19/36/1406191936.db2.gz DIMSZZMQEXQELP-MOPGFXCFSA-N 2 0 337.552 3.218 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698595865 1406220235 /nfs/dbraw/zinc/22/02/35/1406220235.db2.gz HFNHIAMCMJEODM-VQTJNVASSA-N 2 0 345.531 3.106 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036557 1428258175 /nfs/dbraw/zinc/25/81/75/1428258175.db2.gz GRWASPRVFRPXHN-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732048081 1428285986 /nfs/dbraw/zinc/28/59/86/1428285986.db2.gz AHZZACNVAVIIQH-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1c(C(=O)NCC[C@@H]2CC[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001732051131 1428291141 /nfs/dbraw/zinc/29/11/41/1428291141.db2.gz OLAWMBOSXOISFR-QGZVFWFLSA-N 2 0 342.487 3.131 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001732058200 1428303386 /nfs/dbraw/zinc/30/33/86/1428303386.db2.gz ABWNFJWOJJESPM-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732090215 1428355381 /nfs/dbraw/zinc/35/53/81/1428355381.db2.gz OAMZOANGSWDSBC-ASIGSXEYSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732161686 1428404888 /nfs/dbraw/zinc/40/48/88/1428404888.db2.gz DJZIRPIUYAFIKE-OOFWQKGWSA-N 2 0 340.471 3.145 10 0 EGAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001732218128 1428466072 /nfs/dbraw/zinc/46/60/72/1428466072.db2.gz SPMKNQLRKHDRLN-IEBWSBKVSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001732228736 1428476404 /nfs/dbraw/zinc/47/64/04/1428476404.db2.gz JAOLGSXGGGIMCF-SFHVURJKSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CC2CCC3(CC3)CC2)CCCC1)[NH+](C)C ZINC001732231096 1428477775 /nfs/dbraw/zinc/47/77/75/1428477775.db2.gz MZBVVXJXTSSKKY-GOSISDBHSA-N 2 0 349.563 3.316 10 0 EGAERP CCC(CC)C[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001732258712 1428499312 /nfs/dbraw/zinc/49/93/12/1428499312.db2.gz DWWCOXKSSUXKKZ-PXNSSMCTSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[NH2+]C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC[C@H]1C ZINC001732258597 1428499353 /nfs/dbraw/zinc/49/93/53/1428499353.db2.gz OSLATKFGGLPPKO-QRWLVFNGSA-N 2 0 342.487 3.321 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001732289469 1428515904 /nfs/dbraw/zinc/51/59/04/1428515904.db2.gz WOJFCBMVJWGOHK-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1)c1ccccc1 ZINC001732395811 1428563327 /nfs/dbraw/zinc/56/33/27/1428563327.db2.gz UOTUBJXKQNLYOE-GOSISDBHSA-N 2 0 331.504 3.108 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CCCC1 ZINC001732400154 1428566417 /nfs/dbraw/zinc/56/64/17/1428566417.db2.gz WEWXFWQCRKEAPZ-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732418523 1428573426 /nfs/dbraw/zinc/57/34/26/1428573426.db2.gz GGUNDBIJIZOJRH-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001732424253 1428575699 /nfs/dbraw/zinc/57/56/99/1428575699.db2.gz DJHOYFZFDCTDEU-MSOLQXFVSA-N 2 0 345.531 3.285 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC=C(C)C)C1 ZINC001732513498 1428632369 /nfs/dbraw/zinc/63/23/69/1428632369.db2.gz WVGCDEPDJVMPNM-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699112603 1412515977 /nfs/dbraw/zinc/51/59/77/1412515977.db2.gz MWMKZRKMBJSKTC-ICSRJNTNSA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699208594 1412575097 /nfs/dbraw/zinc/57/50/97/1412575097.db2.gz XFMABZCAXZOLND-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001699258628 1412601626 /nfs/dbraw/zinc/60/16/26/1412601626.db2.gz XQGLYTKEFNSTPA-GHOSXJJBSA-N 2 0 333.520 3.012 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699302966 1412625875 /nfs/dbraw/zinc/62/58/75/1412625875.db2.gz RFLOMLXNJACECH-FQQSSWHASA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)C1 ZINC001699337208 1412648322 /nfs/dbraw/zinc/64/83/22/1412648322.db2.gz XXKRRFXVCWLQTA-NHQAVIFJSA-N 2 0 347.547 3.259 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699416805 1412730641 /nfs/dbraw/zinc/73/06/41/1412730641.db2.gz MJPUONWJAXNHSC-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699486916 1412882998 /nfs/dbraw/zinc/88/29/98/1412882998.db2.gz QYTOWVNWWSTJHD-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001699506285 1412895685 /nfs/dbraw/zinc/89/56/85/1412895685.db2.gz HSDPIKSTPIDRCS-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1=CCCCC1 ZINC001699518805 1412902301 /nfs/dbraw/zinc/90/23/01/1412902301.db2.gz JZVVOYBQMNEOPP-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001699633428 1413005984 /nfs/dbraw/zinc/00/59/84/1413005984.db2.gz MSHMUSCBCCCAEW-JXFKEZNVSA-N 2 0 339.483 3.043 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001699703013 1413117929 /nfs/dbraw/zinc/11/79/29/1413117929.db2.gz FMLLMCVYJAOLKK-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699706212 1413123055 /nfs/dbraw/zinc/12/30/55/1413123055.db2.gz OPVGEISCLLTJIR-WIYYLYMNSA-N 2 0 349.563 3.079 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001699725291 1413139088 /nfs/dbraw/zinc/13/90/88/1413139088.db2.gz AMCVNDCBIWIDPE-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001699762947 1413167912 /nfs/dbraw/zinc/16/79/12/1413167912.db2.gz SHDDDFFEHUKONV-OALUTQOASA-N 2 0 345.531 3.287 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001699762946 1413167995 /nfs/dbraw/zinc/16/79/95/1413167995.db2.gz SHDDDFFEHUKONV-MOPGFXCFSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001699776116 1413185757 /nfs/dbraw/zinc/18/57/57/1413185757.db2.gz YOSDRLSEDRVLRH-UHFFFAOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1)[NH+]1CCCCC1 ZINC001699798293 1413208422 /nfs/dbraw/zinc/20/84/22/1413208422.db2.gz FYHPPMKFEXWKQR-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699846248 1413274880 /nfs/dbraw/zinc/27/48/80/1413274880.db2.gz IPYMXRRBSQYWHY-OAQYLSRUSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001699850013 1413278833 /nfs/dbraw/zinc/27/88/33/1413278833.db2.gz WTFORWLPEJCPGS-HFSMHLIXSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699862415 1413297595 /nfs/dbraw/zinc/29/75/95/1413297595.db2.gz VJLYLLZVNAJEEV-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001699931284 1413372872 /nfs/dbraw/zinc/37/28/72/1413372872.db2.gz CCNHLQJZLMPCGL-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001699971193 1413409990 /nfs/dbraw/zinc/40/99/90/1413409990.db2.gz XAPYDJDPKOUBIA-ICUWKNINSA-N 2 0 337.552 3.005 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)(C)C)C2 ZINC001699975184 1413415709 /nfs/dbraw/zinc/41/57/09/1413415709.db2.gz KABGJMGUHGRQNJ-KSZLIROESA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001700017751 1413463715 /nfs/dbraw/zinc/46/37/15/1413463715.db2.gz SEADEUKDLOLEBM-JGAFRWBPSA-N 2 0 347.547 3.284 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001700018267 1413465284 /nfs/dbraw/zinc/46/52/84/1413465284.db2.gz XSGNNCXXQTXCMC-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700068515 1413484138 /nfs/dbraw/zinc/48/41/38/1413484138.db2.gz OEVDOTNKPKGVFY-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001700105641 1413524028 /nfs/dbraw/zinc/52/40/28/1413524028.db2.gz OXBMADQZXWUGBY-MISYRCLQSA-N 2 0 345.531 3.354 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001700105618 1413524272 /nfs/dbraw/zinc/52/42/72/1413524272.db2.gz FUHZNLWDLAFUGK-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700179478 1413590765 /nfs/dbraw/zinc/59/07/65/1413590765.db2.gz QQHWLKGNJJHBOF-ZRAQOITDSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001700194192 1413629749 /nfs/dbraw/zinc/62/97/49/1413629749.db2.gz LOCTWEJQSPHMIO-FQEVSTJZSA-N 2 0 347.547 3.232 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700203224 1413647673 /nfs/dbraw/zinc/64/76/73/1413647673.db2.gz QHYIUELSBZWVBM-PRPIBZDOSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001700227659 1413683790 /nfs/dbraw/zinc/68/37/90/1413683790.db2.gz RUXVQEAEWCJNSV-NRFANRHFSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC1(C)C)[NH+](CC)CC ZINC001700292740 1413747430 /nfs/dbraw/zinc/74/74/30/1413747430.db2.gz NEVJTSPASFPLAT-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](CC2CC2)CC1(C)C ZINC001700292809 1413748561 /nfs/dbraw/zinc/74/85/61/1413748561.db2.gz VGVAGXSTQODEEZ-SFHVURJKSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001700321058 1413787233 /nfs/dbraw/zinc/78/72/33/1413787233.db2.gz WEXNMTDYJFSFKJ-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@H]1CCCc2ccccc21 ZINC001700326143 1413796092 /nfs/dbraw/zinc/79/60/92/1413796092.db2.gz HBWXNLPLVHYAHR-VDGAXYAQSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700398044 1413931234 /nfs/dbraw/zinc/93/12/34/1413931234.db2.gz SQFWAXWULDWSKR-ZWKOTPCHSA-N 2 0 345.531 3.242 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001700438078 1414007231 /nfs/dbraw/zinc/00/72/31/1414007231.db2.gz UXKDERXKSKMDFA-CYDJHOIUSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001700442266 1414014782 /nfs/dbraw/zinc/01/47/82/1414014782.db2.gz PLACFVBMHHSMFJ-LJQANCHMSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001700462547 1414063985 /nfs/dbraw/zinc/06/39/85/1414063985.db2.gz WSQJFRDATNBUTB-ZHHRLCKPSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001700498847 1414145487 /nfs/dbraw/zinc/14/54/87/1414145487.db2.gz GWBBMDQERWAPMH-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001700575991 1414249995 /nfs/dbraw/zinc/24/99/95/1414249995.db2.gz JQHUKRGGKJVRMW-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@]2(C)C1 ZINC001700623337 1414294253 /nfs/dbraw/zinc/29/42/53/1414294253.db2.gz XEOCBPPPNPDLQR-IZZBFERCSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001700641006 1414306503 /nfs/dbraw/zinc/30/65/03/1414306503.db2.gz JBACUDGWUIKQDI-CADBVGFASA-N 2 0 335.536 3.068 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001700724261 1414385271 /nfs/dbraw/zinc/38/52/71/1414385271.db2.gz STCRFHGGNGGXQU-WOJBJXKFSA-N 2 0 347.547 3.020 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001700753169 1414423468 /nfs/dbraw/zinc/42/34/68/1414423468.db2.gz SWDHPZNIOYXPOX-ZWKOTPCHSA-N 2 0 345.531 3.285 10 0 EGAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC1CCCC1 ZINC001700756063 1414427409 /nfs/dbraw/zinc/42/74/09/1414427409.db2.gz ZHJAQKNJVORBDD-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001700779374 1414460606 /nfs/dbraw/zinc/46/06/06/1414460606.db2.gz AQVSBBRJJBVKSC-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001700779376 1414461081 /nfs/dbraw/zinc/46/10/81/1414461081.db2.gz AQVSBBRJJBVKSC-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700852448 1414500131 /nfs/dbraw/zinc/50/01/31/1414500131.db2.gz ATOIBOMBWNVSIB-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001700880820 1414537126 /nfs/dbraw/zinc/53/71/26/1414537126.db2.gz HENFIJDQTZWAOL-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001700886677 1414545179 /nfs/dbraw/zinc/54/51/79/1414545179.db2.gz DPBWORIGAKRTFB-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1F ZINC001700890827 1414549449 /nfs/dbraw/zinc/54/94/49/1414549449.db2.gz XBABIWHCRKVDET-APWZRJJASA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913428 1414566608 /nfs/dbraw/zinc/56/66/08/1414566608.db2.gz UAVCOZIAKXNMAI-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001700923666 1414576290 /nfs/dbraw/zinc/57/62/90/1414576290.db2.gz OXNVFTTWVMMRMD-HMTUNPETSA-N 2 0 349.563 3.434 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CCCCCC2)C1 ZINC001701019542 1414680163 /nfs/dbraw/zinc/68/01/63/1414680163.db2.gz KBORFPQPOYGVNG-IOJLRTSASA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001701059063 1414715308 /nfs/dbraw/zinc/71/53/08/1414715308.db2.gz PZPZDVAIZQZZQC-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001707091091 1417197198 /nfs/dbraw/zinc/19/71/98/1417197198.db2.gz QLNIZKIMQOTNSX-MXVIHJGJSA-N 2 0 347.547 3.237 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001707107601 1417203950 /nfs/dbraw/zinc/20/39/50/1417203950.db2.gz NYOYNCXEXNTALR-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001707117997 1417208299 /nfs/dbraw/zinc/20/82/99/1417208299.db2.gz CJBKLLACZJWICK-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2)[NH+](CC)CC ZINC001707123456 1417210474 /nfs/dbraw/zinc/21/04/74/1417210474.db2.gz DZHSHUYUHGWDKY-MSOLQXFVSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001707277596 1417284688 /nfs/dbraw/zinc/28/46/88/1417284688.db2.gz APOFRFXTLAUEFF-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001707279309 1417287573 /nfs/dbraw/zinc/28/75/73/1417287573.db2.gz CTLCTXBXQLTMBC-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001707378441 1417302165 /nfs/dbraw/zinc/30/21/65/1417302165.db2.gz MGTJQCVKZBVFJZ-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC1CCCCCC1 ZINC001707422668 1417329582 /nfs/dbraw/zinc/32/95/82/1417329582.db2.gz NEOGRQSJCWMVQF-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccc(C)c1 ZINC001707451931 1417354825 /nfs/dbraw/zinc/35/48/25/1417354825.db2.gz LYEBVWHMTVKCDD-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001712950270 1417508929 /nfs/dbraw/zinc/50/89/29/1417508929.db2.gz GSRIOQULJJGFTQ-MJGOQNOKSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001712953933 1417511540 /nfs/dbraw/zinc/51/15/40/1417511540.db2.gz HTRQVJZSMAQGEW-GOSISDBHSA-N 2 0 343.515 3.062 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1cc(C)ccc1C ZINC001712991324 1417543049 /nfs/dbraw/zinc/54/30/49/1417543049.db2.gz PRLNYMPSRMUTJE-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713005165 1417559182 /nfs/dbraw/zinc/55/91/82/1417559182.db2.gz XVKSBUARYYQTHH-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CC(C)(C)C1 ZINC001713019006 1417571448 /nfs/dbraw/zinc/57/14/48/1417571448.db2.gz CHPCOEGXLCMCSL-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733054021 1429195473 /nfs/dbraw/zinc/19/54/73/1429195473.db2.gz LVSFQPCPOHIVDI-SJLPKXTDSA-N 2 0 325.541 3.122 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001713056837 1417610548 /nfs/dbraw/zinc/61/05/48/1417610548.db2.gz QDDKQRSXLGHWPB-IBGZPJMESA-N 2 0 337.552 3.364 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001713101188 1417654503 /nfs/dbraw/zinc/65/45/03/1417654503.db2.gz PLOWMKRJWMMECV-QRVBRYPASA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001713113016 1417676286 /nfs/dbraw/zinc/67/62/86/1417676286.db2.gz ULZBYSXIYPPGKE-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001713140620 1417722686 /nfs/dbraw/zinc/72/26/86/1417722686.db2.gz ISMBXJGUTZUTNX-CEXWTWQISA-N 2 0 335.536 3.116 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713220195 1417801062 /nfs/dbraw/zinc/80/10/62/1417801062.db2.gz GVLTYQOPSUXEAB-DVBCCOPCSA-N 2 0 337.552 3.149 10 0 EGAERP CCc1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)cc1 ZINC001713259605 1417867044 /nfs/dbraw/zinc/86/70/44/1417867044.db2.gz WYWFJQRKDKKMMX-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713263818 1417872492 /nfs/dbraw/zinc/87/24/92/1417872492.db2.gz KOTSMPXYMLTNFW-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001713269149 1417878333 /nfs/dbraw/zinc/87/83/33/1417878333.db2.gz WZLPVNBNCVWMEB-MNVMYWNISA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001713272417 1417887408 /nfs/dbraw/zinc/88/74/08/1417887408.db2.gz VMKQFBVTSRGSIY-RTBURBONSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2cc(C)ccc2C)CC1)[NH+](C)C ZINC001713288331 1417915230 /nfs/dbraw/zinc/91/52/30/1417915230.db2.gz OKJFJXBYLAZLGO-SOAGJPPSSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001713316400 1417941922 /nfs/dbraw/zinc/94/19/22/1417941922.db2.gz QBGUVHSFISCLNP-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[NH2+]CCc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001713386106 1417996303 /nfs/dbraw/zinc/99/63/03/1417996303.db2.gz QKGINMYGVWOFKM-FQEVSTJZSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001713418471 1418042566 /nfs/dbraw/zinc/04/25/66/1418042566.db2.gz CZGNBLRUYGGWQA-QGZVFWFLSA-N 2 0 335.536 3.093 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCCC1 ZINC001713470119 1418136466 /nfs/dbraw/zinc/13/64/66/1418136466.db2.gz MPRAVWBGUDWORZ-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H](C(=O)NCC[N@H+](C)CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001713469644 1418136785 /nfs/dbraw/zinc/13/67/85/1418136785.db2.gz UBWYNEZDFTXXQO-SFHVURJKSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001713477743 1418160148 /nfs/dbraw/zinc/16/01/48/1418160148.db2.gz BLROLLRDOGMTEQ-KRWDZBQOSA-N 2 0 333.520 3.259 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CCC1CCCC1 ZINC001713496236 1418205141 /nfs/dbraw/zinc/20/51/41/1418205141.db2.gz NSDHIMKQGPAPTR-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001713515546 1418251294 /nfs/dbraw/zinc/25/12/94/1418251294.db2.gz WVJQCLAXDDTGFN-RTBURBONSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713529529 1418277759 /nfs/dbraw/zinc/27/77/59/1418277759.db2.gz MJZFKODWXWUDPS-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001713683886 1418436811 /nfs/dbraw/zinc/43/68/11/1418436811.db2.gz FCJBJNYFGVSFAD-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001713684028 1418437080 /nfs/dbraw/zinc/43/70/80/1418437080.db2.gz GSTJXNCJXAEXBZ-QRMWTIMZSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001713683887 1418437185 /nfs/dbraw/zinc/43/71/85/1418437185.db2.gz FCJBJNYFGVSFAD-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001713703371 1418462374 /nfs/dbraw/zinc/46/23/74/1418462374.db2.gz AXTKLJHHHRQIMH-HXUWFJFHSA-N 2 0 343.515 3.276 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001713703762 1418462794 /nfs/dbraw/zinc/46/27/94/1418462794.db2.gz LGUAJHPPLIOIOT-PMACEKPBSA-N 2 0 345.531 3.352 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001733144176 1429261225 /nfs/dbraw/zinc/26/12/25/1429261225.db2.gz CZXWYVQNNRJHLI-OAHLLOKOSA-N 2 0 339.911 3.179 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]C/C=C/c1ccccc1 ZINC001733146880 1429262308 /nfs/dbraw/zinc/26/23/08/1429262308.db2.gz RKHUXLUCFDVWJX-BLRGSVSVSA-N 2 0 343.515 3.011 10 0 EGAERP CC1(C)CC(C[N@@H+]2CC[C@@H](CCNC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001713740865 1418543182 /nfs/dbraw/zinc/54/31/82/1418543182.db2.gz CAYSATCNFYKAGV-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001713742496 1418544855 /nfs/dbraw/zinc/54/48/55/1418544855.db2.gz YZHUJUMBPQCWHY-OALUTQOASA-N 2 0 345.531 3.224 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001713767555 1418582477 /nfs/dbraw/zinc/58/24/77/1418582477.db2.gz XHODLDFIXRHPEF-FNYRVFDFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001713767556 1418582572 /nfs/dbraw/zinc/58/25/72/1418582572.db2.gz XHODLDFIXRHPEF-HMTUNPETSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@H+](CCC(=O)NC1C[NH+](CCC2CCCCC2)C1)C1CCCCC1 ZINC001713831655 1418630292 /nfs/dbraw/zinc/63/02/92/1418630292.db2.gz AQOAFXTWPPZZBS-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713897378 1418696043 /nfs/dbraw/zinc/69/60/43/1418696043.db2.gz RWXWXWCIWMIDDT-RRFGBZISSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978382 1418760286 /nfs/dbraw/zinc/76/02/86/1418760286.db2.gz UTKHIYYQTJFDHA-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001714003083 1418782401 /nfs/dbraw/zinc/78/24/01/1418782401.db2.gz AGAGZAJXBPOJTH-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714021700 1418804396 /nfs/dbraw/zinc/80/43/96/1418804396.db2.gz OLSWMLSKJMRTBQ-IAGOWNOFSA-N 2 0 349.494 3.151 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714076855 1418871482 /nfs/dbraw/zinc/87/14/82/1418871482.db2.gz CAFIRPLUXXAJMS-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001714095781 1418889261 /nfs/dbraw/zinc/88/92/61/1418889261.db2.gz NHUWIKFNHPDMAY-DAWZGUTISA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCCC[NH+]1CCC1CC1 ZINC001714109185 1418909970 /nfs/dbraw/zinc/90/99/70/1418909970.db2.gz VGMMKIGWGXFUEM-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714109452 1418910840 /nfs/dbraw/zinc/91/08/40/1418910840.db2.gz XXTHDNJUZLEDOA-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001714117449 1418921105 /nfs/dbraw/zinc/92/11/05/1418921105.db2.gz WXDIJWWTRDUNIA-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001714145485 1418949633 /nfs/dbraw/zinc/94/96/33/1418949633.db2.gz XDPMZUWOEIGEST-GOSISDBHSA-N 2 0 349.494 3.129 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714154206 1418962434 /nfs/dbraw/zinc/96/24/34/1418962434.db2.gz RADWBMVFKOGBFZ-ZWKOTPCHSA-N 2 0 339.568 3.227 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001714210305 1419010122 /nfs/dbraw/zinc/01/01/22/1419010122.db2.gz LUVOTNRPTYYBRP-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001714210793 1419010410 /nfs/dbraw/zinc/01/04/10/1419010410.db2.gz QLNOESMYXCMNDV-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240389 1419028931 /nfs/dbraw/zinc/02/89/31/1419028931.db2.gz KQQWSHVHFNJIJJ-PXNSSMCTSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001714310482 1419091326 /nfs/dbraw/zinc/09/13/26/1419091326.db2.gz UNELLKCLEZJPJI-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCCC2CCC2)cc1 ZINC001714318474 1419097232 /nfs/dbraw/zinc/09/72/32/1419097232.db2.gz ZZRHCEHPKUAVOF-FQEVSTJZSA-N 2 0 343.515 3.067 10 0 EGAERP CC/C=C/CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001714319741 1419098106 /nfs/dbraw/zinc/09/81/06/1419098106.db2.gz QKEFVCVWANKPKC-HOQHSMRBSA-N 2 0 343.515 3.089 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714367732 1419127550 /nfs/dbraw/zinc/12/75/50/1419127550.db2.gz RKXZOFSEDXUCLR-KPDZFXRVSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001714471604 1419197084 /nfs/dbraw/zinc/19/70/84/1419197084.db2.gz BIIAGMMMIRKSCG-MRXNPFEDSA-N 2 0 343.515 3.033 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001714484499 1419207460 /nfs/dbraw/zinc/20/74/60/1419207460.db2.gz HMHRLLISSZXXEP-KRWDZBQOSA-N 2 0 345.531 3.108 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001714525394 1419251322 /nfs/dbraw/zinc/25/13/22/1419251322.db2.gz WYDIEWZFAVJHPB-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cc(C)c(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001714554548 1419281708 /nfs/dbraw/zinc/28/17/08/1419281708.db2.gz XNXMCIYLRGBNFO-UHFFFAOYSA-N 2 0 345.531 3.034 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC1CCCC1 ZINC001714600505 1419357281 /nfs/dbraw/zinc/35/72/81/1419357281.db2.gz VGFCKKKNCNYIAN-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001714613849 1419374693 /nfs/dbraw/zinc/37/46/93/1419374693.db2.gz RBWZLRXMORHYQB-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001714616232 1419378974 /nfs/dbraw/zinc/37/89/74/1419378974.db2.gz ANZUPVOFRPDQJA-MOPGFXCFSA-N 2 0 345.531 3.369 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714651535 1419428641 /nfs/dbraw/zinc/42/86/41/1419428641.db2.gz XAKNHNNURDINEK-SJORKVTESA-N 2 0 349.494 3.057 10 0 EGAERP CN(CC[NH2+]CC1=CCCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001714740006 1419489449 /nfs/dbraw/zinc/48/94/49/1419489449.db2.gz UGGINHOTJCAQLU-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001714798945 1419514060 /nfs/dbraw/zinc/51/40/60/1419514060.db2.gz ZLRQSQARGFNASW-QUCCMNQESA-N 2 0 345.531 3.224 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001714813194 1419524271 /nfs/dbraw/zinc/52/42/71/1419524271.db2.gz FQGPDJCPWVPMFW-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1)[NH+](CC)CC ZINC001714814298 1419525352 /nfs/dbraw/zinc/52/53/52/1419525352.db2.gz VOOMPDGDLUITCI-HKUYNNGSSA-N 2 0 337.552 3.290 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001714815360 1419526295 /nfs/dbraw/zinc/52/62/95/1419526295.db2.gz FLSVZYMZKKFOFZ-ZWKOTPCHSA-N 2 0 333.520 3.143 10 0 EGAERP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C)CC(C)(C)C ZINC001714841895 1419554376 /nfs/dbraw/zinc/55/43/76/1419554376.db2.gz FJCXYBUWIXZAME-CALCHBBNSA-N 2 0 337.552 3.076 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714856666 1419574218 /nfs/dbraw/zinc/57/42/18/1419574218.db2.gz RWRRPJCYSDNRJI-MOPGFXCFSA-N 2 0 335.536 3.138 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001714869367 1419598449 /nfs/dbraw/zinc/59/84/49/1419598449.db2.gz FNJGEAGOCHFFAL-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1c(C(=O)N[C@@H](C[NH2+]CCC(C)C)CC(C)C)ccc2c[nH+]cn21 ZINC001714918282 1419669687 /nfs/dbraw/zinc/66/96/87/1419669687.db2.gz NLTBNVVQWMOCFE-QGZVFWFLSA-N 2 0 344.503 3.423 10 0 EGAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001714918015 1419669771 /nfs/dbraw/zinc/66/97/71/1419669771.db2.gz DKRCTJWKXBDKBN-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1)c1cccc(F)c1 ZINC001715103586 1419845193 /nfs/dbraw/zinc/84/51/93/1419845193.db2.gz NBUYVQVVKCQMDB-INIZCTEOSA-N 2 0 347.478 3.001 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001715146297 1419891542 /nfs/dbraw/zinc/89/15/42/1419891542.db2.gz NUSTUCSPOSNHHU-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001715150981 1419895274 /nfs/dbraw/zinc/89/52/74/1419895274.db2.gz YUUJLGUZUHJCPX-VQIMIIECSA-N 2 0 325.541 3.029 10 0 EGAERP CCC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@H]1C ZINC001715150975 1419895430 /nfs/dbraw/zinc/89/54/30/1419895430.db2.gz YUUJLGUZUHJCPX-APWZRJJASA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001715177317 1419913051 /nfs/dbraw/zinc/91/30/51/1419913051.db2.gz HLNXTGHKLNUYJK-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715186774 1419919461 /nfs/dbraw/zinc/91/94/61/1419919461.db2.gz JZIORDHYDHBHBQ-HPFJUIBNSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)C1 ZINC001715187646 1419920043 /nfs/dbraw/zinc/92/00/43/1419920043.db2.gz PYZYZTFPCJHIER-NCXUSEDFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001715236689 1419967584 /nfs/dbraw/zinc/96/75/84/1419967584.db2.gz BMWZZFUMFACCRM-PXNSSMCTSA-N 2 0 345.531 3.136 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001715302906 1420011150 /nfs/dbraw/zinc/01/11/50/1420011150.db2.gz HCZSFZNUXSOXJY-KRWDZBQOSA-N 2 0 349.544 3.141 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001715305816 1420014512 /nfs/dbraw/zinc/01/45/12/1420014512.db2.gz YYXPOYVWDGORSF-QZTJIDSGSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001715337742 1420041986 /nfs/dbraw/zinc/04/19/86/1420041986.db2.gz DJKXKQLLLRENNI-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715341082 1420043864 /nfs/dbraw/zinc/04/38/64/1420043864.db2.gz UYKPNALAVOJBOM-FUHWJXTLSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C1CCCCC1 ZINC001715400685 1420099332 /nfs/dbraw/zinc/09/93/32/1420099332.db2.gz CNDVFBPCWJVWFA-APWZRJJASA-N 2 0 346.519 3.209 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001715402670 1420101641 /nfs/dbraw/zinc/10/16/41/1420101641.db2.gz SZYUCSGABFVHAE-IBGZPJMESA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001715428172 1420117669 /nfs/dbraw/zinc/11/76/69/1420117669.db2.gz NPSMRVLVONHFFA-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715445195 1420130016 /nfs/dbraw/zinc/13/00/16/1420130016.db2.gz NJMBIUGMLZLGGL-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(CC[NH+](C)CC3CCCC3)CC2)C1 ZINC001715498700 1420180343 /nfs/dbraw/zinc/18/03/43/1420180343.db2.gz OUIVMLRLLQESHB-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CCC1=CCCCC1 ZINC001715540132 1420237666 /nfs/dbraw/zinc/23/76/66/1420237666.db2.gz RCFUHGVFBZYZPO-ROUUACIJSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001715543174 1420240844 /nfs/dbraw/zinc/24/08/44/1420240844.db2.gz AIUINCULCJWAKR-WOJBJXKFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001715657335 1420281678 /nfs/dbraw/zinc/28/16/78/1420281678.db2.gz BSNWPESKAFCEJI-ZWKOTPCHSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CC2(CCC2)C1 ZINC001715663897 1420284792 /nfs/dbraw/zinc/28/47/92/1420284792.db2.gz WBLHQBGFFMOJJK-LJQANCHMSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C)CC1 ZINC001715696595 1420298895 /nfs/dbraw/zinc/29/88/95/1420298895.db2.gz DNVBFUFTJZUOTJ-KRWDZBQOSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@@H](C(=O)N(CC)CC[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001715757316 1420328771 /nfs/dbraw/zinc/32/87/71/1420328771.db2.gz KIZYEDWXHXHDPA-MJGOQNOKSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001715861971 1420371882 /nfs/dbraw/zinc/37/18/82/1420371882.db2.gz GOFKPSRSVUANGE-JTGQJZMRSA-N 2 0 339.483 3.115 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCC1=CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001715881488 1420381607 /nfs/dbraw/zinc/38/16/07/1420381607.db2.gz BMNZCRANJXUFRN-UVEXCMSLSA-N 2 0 345.531 3.156 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001715952704 1420419255 /nfs/dbraw/zinc/41/92/55/1420419255.db2.gz WISXUVOMSHSUIO-JKSUJKDBSA-N 2 0 342.487 3.006 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001716048807 1420512543 /nfs/dbraw/zinc/51/25/43/1420512543.db2.gz FQCOAYOKHOIRDJ-PWBPZBFBSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001716053330 1420517611 /nfs/dbraw/zinc/51/76/11/1420517611.db2.gz JPPOPNVXJYYAGV-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716255356 1420584696 /nfs/dbraw/zinc/58/46/96/1420584696.db2.gz PMVYISGDHUZGRP-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001716310610 1420600455 /nfs/dbraw/zinc/60/04/55/1420600455.db2.gz HHBSGEOYZKZRSP-KKHYBRAUSA-N 2 0 343.515 3.056 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001733267533 1429427627 /nfs/dbraw/zinc/42/76/27/1429427627.db2.gz XMMPIICGNNHHRN-KKHYBRAUSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001733269553 1429430861 /nfs/dbraw/zinc/43/08/61/1429430861.db2.gz PGHGLCVHBIYRMP-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CC[C@H]2CNC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001716667577 1420822194 /nfs/dbraw/zinc/82/21/94/1420822194.db2.gz CUURRYMPEXMHON-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001716695266 1420848325 /nfs/dbraw/zinc/84/83/25/1420848325.db2.gz CHLXOSAFHYPLOO-ACBHZAAOSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001716701937 1420854862 /nfs/dbraw/zinc/85/48/62/1420854862.db2.gz HLIQJBRKSBJLCV-LJQANCHMSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001716704652 1420858952 /nfs/dbraw/zinc/85/89/52/1420858952.db2.gz YOBTVHBUFXJFMN-QUCCMNQESA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001716707508 1420861613 /nfs/dbraw/zinc/86/16/13/1420861613.db2.gz ZOWRTHAKDSWOKY-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001716713973 1420868668 /nfs/dbraw/zinc/86/86/68/1420868668.db2.gz UASQDNZGFLYXLH-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)C[NH+]1CCC2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001716728153 1420886831 /nfs/dbraw/zinc/88/68/31/1420886831.db2.gz PLCKBUJAOLQPAD-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]1C ZINC001716771250 1420914850 /nfs/dbraw/zinc/91/48/50/1420914850.db2.gz TUOJHJKMWQAMEQ-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001716768876 1420913751 /nfs/dbraw/zinc/91/37/51/1420913751.db2.gz HMKXEXSDQGLMQS-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001716769756 1420914127 /nfs/dbraw/zinc/91/41/27/1420914127.db2.gz FMIKNAANKWMBFV-IEBWSBKVSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001716798462 1420931448 /nfs/dbraw/zinc/93/14/48/1420931448.db2.gz VHMYPAGVZFRTPU-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CCCC1 ZINC001716825010 1420950907 /nfs/dbraw/zinc/95/09/07/1420950907.db2.gz PAJHIQZJRUEHTK-FQEVSTJZSA-N 2 0 347.547 3.237 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716850416 1420980258 /nfs/dbraw/zinc/98/02/58/1420980258.db2.gz MTGSKTSHIGAXAE-WIYYLYMNSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001716852117 1420982760 /nfs/dbraw/zinc/98/27/60/1420982760.db2.gz ZJRLDWJQDLCGKJ-CNBHCMJISA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC1CCCC1)C2 ZINC001716951906 1421048105 /nfs/dbraw/zinc/04/81/05/1421048105.db2.gz QSKCHSDONASCFK-UFYCRDLUSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716974191 1421058460 /nfs/dbraw/zinc/05/84/60/1421058460.db2.gz XDCILKVHHJSHGA-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001717004188 1421072931 /nfs/dbraw/zinc/07/29/31/1421072931.db2.gz ATAPAORLPFEMNE-WAAHFUDESA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717036869 1421090669 /nfs/dbraw/zinc/09/06/69/1421090669.db2.gz HEMVJZYMGHSVMN-MSOLQXFVSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001717041373 1421095641 /nfs/dbraw/zinc/09/56/41/1421095641.db2.gz FVOQSTPSUSTICM-OAOPFVHKSA-N 2 0 347.547 3.138 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717083944 1421103405 /nfs/dbraw/zinc/10/34/05/1421103405.db2.gz DZQGGPOPVYWUJB-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111359 1421115010 /nfs/dbraw/zinc/11/50/10/1421115010.db2.gz QWWAORPXTLDQBH-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001717121570 1421124959 /nfs/dbraw/zinc/12/49/59/1421124959.db2.gz FZIKYWOSDWDBTM-KWCQTOMTSA-N 2 0 347.547 3.236 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)C1 ZINC001717160669 1421150874 /nfs/dbraw/zinc/15/08/74/1421150874.db2.gz AJLIJBBDRYGHDQ-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2c(C)cccc2C)CC1)[NH+](C)C ZINC001717197060 1421163692 /nfs/dbraw/zinc/16/36/92/1421163692.db2.gz SBAORLRFVNMSOQ-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001717201371 1421169067 /nfs/dbraw/zinc/16/90/67/1421169067.db2.gz ANYPQQRZMSGXJI-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001717201751 1421169643 /nfs/dbraw/zinc/16/96/43/1421169643.db2.gz GLWHIIXIOWHQTA-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001717209203 1421181244 /nfs/dbraw/zinc/18/12/44/1421181244.db2.gz RNHYNTCQGOZOSU-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCC(C)([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001717302227 1421244364 /nfs/dbraw/zinc/24/43/64/1421244364.db2.gz VRZJNKXMZNZHKT-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001717310070 1421252527 /nfs/dbraw/zinc/25/25/27/1421252527.db2.gz ZYZIMZZATDZVDU-NDZBKKTDSA-N 2 0 337.552 3.290 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CCCCC2)CC1 ZINC001717371565 1421309989 /nfs/dbraw/zinc/30/99/89/1421309989.db2.gz RWCRQZYSRJFFAR-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)cc1C ZINC001717376395 1421318253 /nfs/dbraw/zinc/31/82/53/1421318253.db2.gz PZDKSOXIZXMZQY-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP CCC(CC)C[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001733294319 1429475435 /nfs/dbraw/zinc/47/54/35/1429475435.db2.gz ZNYGKORVRVHPHI-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC001717430630 1421359315 /nfs/dbraw/zinc/35/93/15/1421359315.db2.gz INDOVDBRJOPUJI-RTBURBONSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717476460 1421410513 /nfs/dbraw/zinc/41/05/13/1421410513.db2.gz MWEUOGCGKPLKDT-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001717500477 1421443968 /nfs/dbraw/zinc/44/39/68/1421443968.db2.gz TWVSUDVJPWBMQC-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCc1ccccc1C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001717527626 1421463431 /nfs/dbraw/zinc/46/34/31/1421463431.db2.gz WAIXOMUYGRXUJO-UHFFFAOYSA-N 2 0 345.531 3.109 10 0 EGAERP CCCC[C@@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001717532227 1421468410 /nfs/dbraw/zinc/46/84/10/1421468410.db2.gz BLNKJRBCPIPBDF-MJGOQNOKSA-N 2 0 343.515 3.108 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CC2=CCCCC2)C1 ZINC001717541220 1421482039 /nfs/dbraw/zinc/48/20/39/1421482039.db2.gz WDKPZUDQCUSXFO-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001717590111 1421518578 /nfs/dbraw/zinc/51/85/78/1421518578.db2.gz VWMYUWQZPMMXBV-PKOBYXMFSA-N 2 0 345.531 3.223 10 0 EGAERP CC1(C)C[N@H+](CC2CCCC2)C[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001717589849 1421518680 /nfs/dbraw/zinc/51/86/80/1421518680.db2.gz SDRVAVFBJOWQOO-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001717642898 1421546736 /nfs/dbraw/zinc/54/67/36/1421546736.db2.gz KSHOBDUSFZCXCK-WTGUMLROSA-N 2 0 347.547 3.068 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001717652673 1421552008 /nfs/dbraw/zinc/55/20/08/1421552008.db2.gz QRBRFPGGFKHFAC-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001717652952 1421552174 /nfs/dbraw/zinc/55/21/74/1421552174.db2.gz XILQYAJFLAKCHY-MXVIHJGJSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001717667687 1421558461 /nfs/dbraw/zinc/55/84/61/1421558461.db2.gz LHFVFFDQYTYIIR-QUCCMNQESA-N 2 0 345.531 3.242 10 0 EGAERP C[C@H](CCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717673942 1421560766 /nfs/dbraw/zinc/56/07/66/1421560766.db2.gz CHHDKEQOGLQJOR-IEBWSBKVSA-N 2 0 335.536 3.236 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001717840266 1421654632 /nfs/dbraw/zinc/65/46/32/1421654632.db2.gz HDRWJCBOHJMFDF-UYAOXDASSA-N 2 0 335.536 3.166 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001717847286 1421661295 /nfs/dbraw/zinc/66/12/95/1421661295.db2.gz JYHCGALQWCHEOT-IPMKNSEASA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001717896403 1421694009 /nfs/dbraw/zinc/69/40/09/1421694009.db2.gz GYVRPFKHYGVYAX-YZBXUTEPSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C)C1 ZINC001717964655 1421735938 /nfs/dbraw/zinc/73/59/38/1421735938.db2.gz AYZPYRWLYSBYIH-QZTJIDSGSA-N 2 0 339.568 3.275 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717967118 1421738757 /nfs/dbraw/zinc/73/87/57/1421738757.db2.gz XMWKCWWVNLCFHW-AEFFLSMTSA-N 2 0 333.520 3.128 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001717969619 1421741661 /nfs/dbraw/zinc/74/16/61/1421741661.db2.gz YTZRXRBHTHVJBV-ZWKOTPCHSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001717970864 1421742859 /nfs/dbraw/zinc/74/28/59/1421742859.db2.gz CVEXXPHDBDINRM-NQIIRXRSSA-N 2 0 349.563 3.173 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001718000354 1421767558 /nfs/dbraw/zinc/76/75/58/1421767558.db2.gz IHSYISORYXSRQO-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001718004468 1421771205 /nfs/dbraw/zinc/77/12/05/1421771205.db2.gz SLYYHELPVSUWQR-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001733356302 1429538044 /nfs/dbraw/zinc/53/80/44/1429538044.db2.gz IRRMWBBMTGBURT-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001733381705 1429567202 /nfs/dbraw/zinc/56/72/02/1429567202.db2.gz RBQOEFSXFWUKHQ-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001733387205 1429575508 /nfs/dbraw/zinc/57/55/08/1429575508.db2.gz MNSYKWIZIMEOGE-MOPGFXCFSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001733416261 1429620811 /nfs/dbraw/zinc/62/08/11/1429620811.db2.gz IZFAOCNHWHDTTR-NQIIRXRSSA-N 2 0 345.531 3.285 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733439008 1429646822 /nfs/dbraw/zinc/64/68/22/1429646822.db2.gz WXSWCWYAOSWEAL-PZJWPPBQSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733439394 1429646906 /nfs/dbraw/zinc/64/69/06/1429646906.db2.gz IAZNPOKTVHRXPD-NRFANRHFSA-N 2 0 345.531 3.380 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001723024058 1424289620 /nfs/dbraw/zinc/28/96/20/1424289620.db2.gz XHOAAPVLPGCWHV-APWZRJJASA-N 2 0 349.494 3.198 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001723043085 1424291817 /nfs/dbraw/zinc/29/18/17/1424291817.db2.gz AITOWDJVYGTWMG-OALUTQOASA-N 2 0 345.531 3.369 10 0 EGAERP CN(CCC[NH2+]CC1=CCCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001723084453 1424298033 /nfs/dbraw/zinc/29/80/33/1424298033.db2.gz FBTVKQFUIYYHOJ-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP C[C@@H](C(=O)N(C)CCC[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001723142590 1424307818 /nfs/dbraw/zinc/30/78/18/1424307818.db2.gz RDQHDQRYTMLONZ-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CCC[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001733512333 1429720276 /nfs/dbraw/zinc/72/02/76/1429720276.db2.gz CFOOBUCWLHQNOC-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001723383333 1424379773 /nfs/dbraw/zinc/37/97/73/1424379773.db2.gz BRJHCXDAXZAQDL-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001723554305 1424462599 /nfs/dbraw/zinc/46/25/99/1424462599.db2.gz QDVOWIAGOYRRPX-MRXNPFEDSA-N 2 0 331.504 3.061 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001723680306 1424527413 /nfs/dbraw/zinc/52/74/13/1424527413.db2.gz OAKANECIGYFKGK-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001723690322 1424530614 /nfs/dbraw/zinc/53/06/14/1424530614.db2.gz HTIBGSNFSYKCMC-CTNGQTDRSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723720796 1424545982 /nfs/dbraw/zinc/54/59/82/1424545982.db2.gz DYONNEJOGQIZSC-QQUYBBDPSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001723720558 1424546589 /nfs/dbraw/zinc/54/65/89/1424546589.db2.gz BOVRCPASDQMYLK-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001723745548 1424556749 /nfs/dbraw/zinc/55/67/49/1424556749.db2.gz ORQFMOGZLOMSHX-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001724014127 1424628116 /nfs/dbraw/zinc/62/81/16/1424628116.db2.gz LIMKDIJTYAEQFV-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733537740 1429744083 /nfs/dbraw/zinc/74/40/83/1429744083.db2.gz WQJGNIJJUJNQAF-NHQAVIFJSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001733538638 1429744559 /nfs/dbraw/zinc/74/45/59/1429744559.db2.gz YZLWAACUJPEARK-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCCCC1 ZINC001724097428 1424660899 /nfs/dbraw/zinc/66/08/99/1424660899.db2.gz HDCHMEUOAAESGL-FXAWDEMLSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001724161806 1424698178 /nfs/dbraw/zinc/69/81/78/1424698178.db2.gz KTMGRQIKAXJZJP-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001724300991 1424784668 /nfs/dbraw/zinc/78/46/68/1424784668.db2.gz MAZNOUMGOALCIG-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001724325586 1424814038 /nfs/dbraw/zinc/81/40/38/1424814038.db2.gz ZDZQUGAUUHPVCR-ICSRJNTNSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001724325585 1424814842 /nfs/dbraw/zinc/81/48/42/1424814842.db2.gz ZDZQUGAUUHPVCR-AZUAARDMSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@](C)(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001724335452 1424831090 /nfs/dbraw/zinc/83/10/90/1424831090.db2.gz ZVMIIUPJRQGVMJ-WIYYLYMNSA-N 2 0 345.531 3.226 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724531710 1424896489 /nfs/dbraw/zinc/89/64/89/1424896489.db2.gz LFQQFELZYGHGQT-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724545201 1424904862 /nfs/dbraw/zinc/90/48/62/1424904862.db2.gz AHAUJRCRVRMEOA-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCCCC1 ZINC001724657137 1425024923 /nfs/dbraw/zinc/02/49/23/1425024923.db2.gz QJLIEYOMBPUFIT-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)(C)CCC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724713590 1425067903 /nfs/dbraw/zinc/06/79/03/1425067903.db2.gz ZSSHYRMLUQNEEK-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001724738894 1425099219 /nfs/dbraw/zinc/09/92/19/1425099219.db2.gz ROSDTRFWLZPXAR-VQTJNVASSA-N 2 0 343.515 3.162 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001724743588 1425111947 /nfs/dbraw/zinc/11/19/47/1425111947.db2.gz FPSIXZQDWPMDOD-KRWDZBQOSA-N 2 0 343.515 3.406 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001724797933 1425166311 /nfs/dbraw/zinc/16/63/11/1425166311.db2.gz XJSJBCMLHUFPLK-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC(C)(C)C1 ZINC001724852840 1425218170 /nfs/dbraw/zinc/21/81/70/1425218170.db2.gz RBOUHOCIRSROAU-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001724853796 1425220573 /nfs/dbraw/zinc/22/05/73/1425220573.db2.gz WKSUKBYYEJIFCV-LJQANCHMSA-N 2 0 335.536 3.140 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001724858379 1425236539 /nfs/dbraw/zinc/23/65/39/1425236539.db2.gz UFGTZDJNVGODRU-RTBURBONSA-N 2 0 345.531 3.178 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001724890813 1425277321 /nfs/dbraw/zinc/27/73/21/1425277321.db2.gz GUUNJADZLVRZDB-FPLPWBNLSA-N 2 0 346.519 3.368 10 0 EGAERP CC1([NH2+]CC2CCCC2)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001724963862 1425353684 /nfs/dbraw/zinc/35/36/84/1425353684.db2.gz WNUWXWMFSKNHCQ-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001724995149 1425400167 /nfs/dbraw/zinc/40/01/67/1425400167.db2.gz JPSBGTNSPICWLO-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001725044487 1425473411 /nfs/dbraw/zinc/47/34/11/1425473411.db2.gz CXHOYLXAPVFQJS-HXUWFJFHSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001725052873 1425486983 /nfs/dbraw/zinc/48/69/83/1425486983.db2.gz INKBUPZDZHKWIM-AZUAARDMSA-N 2 0 345.531 3.402 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001725097351 1425542201 /nfs/dbraw/zinc/54/22/01/1425542201.db2.gz OWTPBSOHKBTMNO-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001725240235 1425842240 /nfs/dbraw/zinc/84/22/40/1425842240.db2.gz HFZQNBMCBPGRIA-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCCC2CCC2)C1 ZINC001725241324 1425847474 /nfs/dbraw/zinc/84/74/74/1425847474.db2.gz OMQBBZCAXIJSHA-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001725243400 1425855656 /nfs/dbraw/zinc/85/56/56/1425855656.db2.gz TXQIRILUYFUIJZ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001725366904 1426017218 /nfs/dbraw/zinc/01/72/18/1426017218.db2.gz MIQQPCWXRAXQIK-NCXUSEDFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001725519153 1426210453 /nfs/dbraw/zinc/21/04/53/1426210453.db2.gz AMDBNQYVSSQYBJ-UYAOXDASSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001725579689 1426235814 /nfs/dbraw/zinc/23/58/14/1426235814.db2.gz CHICBDTVNSHCOR-PKOBYXMFSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588767 1426243861 /nfs/dbraw/zinc/24/38/61/1426243861.db2.gz JIYYRFLQQVGNKD-FUHWJXTLSA-N 2 0 349.544 3.093 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCC2CCCC2)CC3)CC1 ZINC001725606890 1426263920 /nfs/dbraw/zinc/26/39/20/1426263920.db2.gz AOWWOBHPAAYRKA-RXVVDRJESA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001725618170 1426281495 /nfs/dbraw/zinc/28/14/95/1426281495.db2.gz CWARYDVLOLYVCC-BRAJZSMUSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@@H]1[N@H+](CC1CCCC1)CC2 ZINC001725618151 1426281610 /nfs/dbraw/zinc/28/16/10/1426281610.db2.gz CUDDRNHDELZPCJ-FPOVZHCZSA-N 2 0 347.547 3.166 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001725635096 1426305272 /nfs/dbraw/zinc/30/52/72/1426305272.db2.gz VCCAVUFJYXKTKM-IPMKNSEASA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001725668048 1426351912 /nfs/dbraw/zinc/35/19/12/1426351912.db2.gz ZOOBOAWPSNNGFH-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001725676827 1426362959 /nfs/dbraw/zinc/36/29/59/1426362959.db2.gz PPXQMYWGAXFRDQ-MMLFBZMQSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCC1)C(C)(C)C ZINC001725759404 1426439404 /nfs/dbraw/zinc/43/94/04/1426439404.db2.gz WKKYPHCAGUKEKM-KRWDZBQOSA-N 2 0 339.568 3.419 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001725767681 1426450385 /nfs/dbraw/zinc/45/03/85/1426450385.db2.gz QRKPTAWUECASDL-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001725830562 1426509145 /nfs/dbraw/zinc/50/91/45/1426509145.db2.gz UAVKLARYNDLXOJ-HXUWFJFHSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[NH+]1CCC(N(CCC)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001731386726 1427333800 /nfs/dbraw/zinc/33/38/00/1427333800.db2.gz YYZWFVNWDVIQDR-GOSISDBHSA-N 2 0 337.552 3.364 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731411007 1427377504 /nfs/dbraw/zinc/37/75/04/1427377504.db2.gz MOGPTELNODTUGQ-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001731416816 1427389074 /nfs/dbraw/zinc/38/90/74/1427389074.db2.gz NPRUFAVFHZWFGC-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001731484390 1427459541 /nfs/dbraw/zinc/45/95/41/1427459541.db2.gz AGGYYSYFDKUBPV-OAFZBRQQSA-N 2 0 349.494 3.244 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001731484396 1427459994 /nfs/dbraw/zinc/45/99/94/1427459994.db2.gz AGGYYSYFDKUBPV-YIOZNXECSA-N 2 0 349.494 3.244 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731488220 1427462644 /nfs/dbraw/zinc/46/26/44/1427462644.db2.gz RKJYXVLKVVZCJR-AKHDSKFASA-N 2 0 337.552 3.168 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001731501116 1427481269 /nfs/dbraw/zinc/48/12/69/1427481269.db2.gz PUFFAHPGZBJKMY-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001731522570 1427511388 /nfs/dbraw/zinc/51/13/88/1427511388.db2.gz DXDWRACPVWYXRC-DVBCCOPCSA-N 2 0 337.552 3.149 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001731540515 1427546746 /nfs/dbraw/zinc/54/67/46/1427546746.db2.gz IJKLHGFIMKIUEF-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CCCC[C@H]2CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001731540752 1427546753 /nfs/dbraw/zinc/54/67/53/1427546753.db2.gz LMKBYXBRPSGBQG-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001731569149 1427609228 /nfs/dbraw/zinc/60/92/28/1427609228.db2.gz RIXAAFKMLLWQAP-UHFFFAOYSA-N 2 0 347.547 3.378 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]([N@H+](C)CCC3CCCCC3)C2)CC1 ZINC001731716385 1427780051 /nfs/dbraw/zinc/78/00/51/1427780051.db2.gz UFXMVPLNNAXPDN-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001731721604 1427791511 /nfs/dbraw/zinc/79/15/11/1427791511.db2.gz VLBOFDCUBKOSBQ-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731753790 1427850856 /nfs/dbraw/zinc/85/08/56/1427850856.db2.gz SUZLLAJMBXZEMY-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001731782250 1427907212 /nfs/dbraw/zinc/90/72/12/1427907212.db2.gz IIRFXDGFBAEIFJ-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001731847740 1428073543 /nfs/dbraw/zinc/07/35/43/1428073543.db2.gz GTMFGEGXPFMITG-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001731852068 1428082012 /nfs/dbraw/zinc/08/20/12/1428082012.db2.gz BDRNFBDYLNUMCZ-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CN(CC[NH2+]CCC1CCCCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001731922844 1428171527 /nfs/dbraw/zinc/17/15/27/1428171527.db2.gz UEBJYSKHGZPYGP-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1c(C(=O)N(C)CC[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001731925213 1428172733 /nfs/dbraw/zinc/17/27/33/1428172733.db2.gz IIYOOGHQMVFXSA-UHFFFAOYSA-N 2 0 330.476 3.131 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001731994617 1428203307 /nfs/dbraw/zinc/20/33/07/1428203307.db2.gz AZUWRYVCAQPCHI-QRMWTIMZSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001733675966 1429871571 /nfs/dbraw/zinc/87/15/71/1429871571.db2.gz JALNEFVIGMCQGA-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001733684993 1429901154 /nfs/dbraw/zinc/90/11/54/1429901154.db2.gz SAEFSVKVQZQOEW-QGZVFWFLSA-N 2 0 341.499 3.015 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733765444 1429985682 /nfs/dbraw/zinc/98/56/82/1429985682.db2.gz WISOVZLPEFXNRM-VZSQWMKGSA-N 2 0 347.547 3.332 10 0 EGAERP CN(CCC[N@H+](C)CCCC1CCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001733774410 1430014320 /nfs/dbraw/zinc/01/43/20/1430014320.db2.gz RDLFVHHLWFPTFC-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001733780841 1430044224 /nfs/dbraw/zinc/04/42/24/1430044224.db2.gz SJLCNHNSONEUBQ-OALUTQOASA-N 2 0 345.531 3.096 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1 ZINC001733862843 1437691770 /nfs/dbraw/zinc/69/17/70/1437691770.db2.gz QPNRZIFGMREBCM-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001733868316 1437695272 /nfs/dbraw/zinc/69/52/72/1437695272.db2.gz YXHMRFQJXJPMQF-SFHVURJKSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001733877515 1437704309 /nfs/dbraw/zinc/70/43/09/1437704309.db2.gz CHZCFBUIZTTWIN-RTBURBONSA-N 2 0 349.563 3.290 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001733941594 1437757800 /nfs/dbraw/zinc/75/78/00/1437757800.db2.gz NICBUCHCIVSYEJ-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734042724 1437830966 /nfs/dbraw/zinc/83/09/66/1437830966.db2.gz BQTPWWGRYZCJKP-MJRGOJFPSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001734066623 1437861835 /nfs/dbraw/zinc/86/18/35/1437861835.db2.gz SYTLWTFWSKPEJM-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001734098802 1437882798 /nfs/dbraw/zinc/88/27/98/1437882798.db2.gz DRSOCRNQEQEUGY-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001734105646 1437891975 /nfs/dbraw/zinc/89/19/75/1437891975.db2.gz GQFUFLMOIKQZFO-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001734205413 1437943045 /nfs/dbraw/zinc/94/30/45/1437943045.db2.gz DTCIPBBBILKRIG-OYRHEFFESA-N 2 0 349.563 3.223 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001734210676 1437944546 /nfs/dbraw/zinc/94/45/46/1437944546.db2.gz PYCRPNJDNNFLDA-WTGUMLROSA-N 2 0 347.547 3.068 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001734327668 1438052185 /nfs/dbraw/zinc/05/21/85/1438052185.db2.gz ZBIPLDJPCNJZIV-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001734327667 1438052298 /nfs/dbraw/zinc/05/22/98/1438052298.db2.gz ZBIPLDJPCNJZIV-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001734339237 1438060291 /nfs/dbraw/zinc/06/02/91/1438060291.db2.gz LSJOZKPOZNBGPP-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)cc1 ZINC001734401819 1438082984 /nfs/dbraw/zinc/08/29/84/1438082984.db2.gz CMXPIJCMNDSBKO-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001734426251 1438091686 /nfs/dbraw/zinc/09/16/86/1438091686.db2.gz LCDMZDPXQDPXAZ-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001734441365 1438103490 /nfs/dbraw/zinc/10/34/90/1438103490.db2.gz CKMULXSZKNZUMM-YSIASYRMSA-N 2 0 349.563 3.124 10 0 EGAERP CCCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001734453663 1438111234 /nfs/dbraw/zinc/11/12/34/1438111234.db2.gz AVQQZINFYBFEGD-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001734453661 1438111619 /nfs/dbraw/zinc/11/16/19/1438111619.db2.gz AVQQZINFYBFEGD-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CC1CCCC1 ZINC001734454731 1438112507 /nfs/dbraw/zinc/11/25/07/1438112507.db2.gz BWEYSMVLWCYTMC-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001734458372 1438116019 /nfs/dbraw/zinc/11/60/19/1438116019.db2.gz KUAUQFAMKATDAP-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CC1=CCCCC1 ZINC001734504215 1438136804 /nfs/dbraw/zinc/13/68/04/1438136804.db2.gz MXGVNTPJTHWZKP-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)C1CC[NH+](C)CC1)C(C)C ZINC001734550998 1438148863 /nfs/dbraw/zinc/14/88/63/1438148863.db2.gz MTCDMCCTLIJUPE-UHFFFAOYSA-N 2 0 345.531 3.006 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001734580416 1438172781 /nfs/dbraw/zinc/17/27/81/1438172781.db2.gz UQYINYZLBVLFIF-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001750943482 1440117094 /nfs/dbraw/zinc/11/70/94/1440117094.db2.gz GVZWGWMHRLQNMI-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]CCC[NH2+]CCCCCCCC[NH2+]CCC[NH2+]CCC ZINC000003790065 210075176 /nfs/dbraw/zinc/07/51/76/210075176.db2.gz RMBZTFIYGWPHHK-UHFFFAOYSA-N 4 0 342.616 3.286 10 0 EGAERP O[C@@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147162 201033299 /nfs/dbraw/zinc/03/32/99/201033299.db2.gz OFEVWWDJVWDOJD-XICAJGIJSA-N 2 0 328.500 3.323 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000272504764 201252802 /nfs/dbraw/zinc/25/28/02/201252802.db2.gz FELKSXIGBNTSQX-UHFFFAOYSA-N 2 0 329.532 3.015 10 0 EGAERP c1cn(Cc2ccccc2)nc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000298042680 201352997 /nfs/dbraw/zinc/35/29/97/201352997.db2.gz HKUFKZBOSPTCFL-UHFFFAOYSA-N 2 0 347.466 3.085 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@H]2OCC[C@H]21)c1ccc(OCC[NH+](C)C)cc1 ZINC000246835157 299383167 /nfs/dbraw/zinc/38/31/67/299383167.db2.gz BHRBTZORXSKNAB-KCUHQSDYSA-N 2 0 332.488 3.235 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCSCC1 ZINC000187257285 296118755 /nfs/dbraw/zinc/11/87/55/296118755.db2.gz KFXHIYSBQNUQSV-QGZVFWFLSA-N 2 0 339.593 3.058 10 0 EGAERP COc1ccc(C[NH2+]CC2CC[NH+](C[C@H](C)O)CC2)c2ccccc12 ZINC000069848525 203056251 /nfs/dbraw/zinc/05/62/51/203056251.db2.gz CYLBZKUWRVGLAG-INIZCTEOSA-N 2 0 342.483 3.031 10 0 EGAERP C[C@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000266000025 248014127 /nfs/dbraw/zinc/01/41/27/248014127.db2.gz OYEQXHXHHGWHHU-PXNSSMCTSA-N 2 0 343.515 3.227 10 0 EGAERP Cc1cc(C)n2c(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@@H]3C)cnc2n1 ZINC000377405213 169021158 /nfs/dbraw/zinc/02/11/58/169021158.db2.gz UOLVCRIDCZWKPY-XLIONFOSSA-N 2 0 349.482 3.099 10 0 EGAERP C[NH+](C)CCCC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000268868413 252317160 /nfs/dbraw/zinc/31/71/60/252317160.db2.gz CQPOUBVTCADFDU-UHFFFAOYSA-N 2 0 341.902 3.375 10 0 EGAERP C[NH+](C)Cc1ccnc(NCc2ccc(-n3ccnc3)c(F)c2)c1 ZINC000097045295 258068187 /nfs/dbraw/zinc/06/81/87/258068187.db2.gz PJDAGMCJHOLXTP-UHFFFAOYSA-N 2 0 325.391 3.080 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246836721 141037183 /nfs/dbraw/zinc/03/71/83/141037183.db2.gz BZMPQWCSKQSLQV-GHTZIAJQSA-N 3 0 329.532 3.219 10 0 EGAERP Cc1ccc2c(CN3CC[C@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)oc2c1C ZINC000246855651 141039945 /nfs/dbraw/zinc/03/99/45/141039945.db2.gz KXEJPTVMKOEFCD-LPHOPBHVSA-N 2 0 340.467 3.326 10 0 EGAERP C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000246989479 141047422 /nfs/dbraw/zinc/04/74/22/141047422.db2.gz KDTRLSFNJTWRFW-ZWKOTPCHSA-N 2 0 333.520 3.152 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000353464393 141302712 /nfs/dbraw/zinc/30/27/12/141302712.db2.gz UNOBVKGHIPPCCX-CEXWTWQISA-N 2 0 329.488 3.365 10 0 EGAERP Cc1c[nH+]ccc1N(C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000192569328 144177162 /nfs/dbraw/zinc/17/71/62/144177162.db2.gz OPKHOIOYAOKYLT-OAQYLSRUSA-N 2 0 339.483 3.272 10 0 EGAERP Cc1nocc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000351719958 144296882 /nfs/dbraw/zinc/29/68/82/144296882.db2.gz NBUGDCVYZOFNQC-UHFFFAOYSA-N 2 0 325.456 3.471 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C)C[C@H]2c2ccco2)CC1 ZINC000191521147 153204744 /nfs/dbraw/zinc/20/47/44/153204744.db2.gz QBDLZNGPYKBXGT-OALUTQOASA-N 2 0 333.520 3.469 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481981 154375498 /nfs/dbraw/zinc/37/54/98/154375498.db2.gz FGOIKSGCRMYDGU-ROUUACIJSA-N 2 0 330.520 3.273 10 0 EGAERP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248417794 163003321 /nfs/dbraw/zinc/00/33/21/163003321.db2.gz RQYOZIFOZRVYHX-GDVKCFTOSA-N 2 0 338.499 3.290 10 0 EGAERP C[N@@H+]1CCC[C@@H]2CN(Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636165 163023673 /nfs/dbraw/zinc/02/36/73/163023673.db2.gz UUBPNCJGFUMZAP-HZPDHXFCSA-N 2 0 328.485 3.121 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248827677 163036843 /nfs/dbraw/zinc/03/68/43/163036843.db2.gz HLQOWVXCQAQNJJ-FXAWDEMLSA-N 2 0 326.488 3.343 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000355381957 166180646 /nfs/dbraw/zinc/18/06/46/166180646.db2.gz ICOQEXXBVJXLPT-AZUAARDMSA-N 2 0 343.515 3.032 10 0 EGAERP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367551610 168240702 /nfs/dbraw/zinc/24/07/02/168240702.db2.gz LHBVANYDPYGCFX-QRVBRYPASA-N 2 0 332.488 3.099 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000367585586 168245429 /nfs/dbraw/zinc/24/54/29/168245429.db2.gz DQSQSESIQPPARG-FHWLQOOXSA-N 2 0 328.504 3.034 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000367620698 168251863 /nfs/dbraw/zinc/25/18/63/168251863.db2.gz QULIXGJITWEJFX-RCCFBDPRSA-N 2 0 346.515 3.444 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000367625820 168252335 /nfs/dbraw/zinc/25/23/35/168252335.db2.gz ZCIVUEZYQUIPDA-PCCBWWKXSA-N 3 0 327.516 3.245 10 0 EGAERP COC1(C[C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCC1 ZINC000277015403 267676777 /nfs/dbraw/zinc/67/67/77/267676777.db2.gz CNKHZGYFKJESTD-KRWDZBQOSA-N 2 0 346.515 3.081 10 0 EGAERP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268875946 274161328 /nfs/dbraw/zinc/16/13/28/274161328.db2.gz DTWGKAKYOIHGQA-OAHLLOKOSA-N 2 0 345.487 3.019 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425597 274511750 /nfs/dbraw/zinc/51/17/50/274511750.db2.gz OITKHJBRSZBBKR-YJBOKZPZSA-N 2 0 345.512 3.239 10 0 EGAERP C[C@H]1C[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000279118858 275305269 /nfs/dbraw/zinc/30/52/69/275305269.db2.gz ABKQOJSWMGKSHS-HKUYNNGSSA-N 2 0 343.515 3.384 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+]Cc1cnccc1C ZINC000279785522 275359383 /nfs/dbraw/zinc/35/93/83/275359383.db2.gz CISPVVMXWFRNHJ-UHFFFAOYSA-N 2 0 327.472 3.400 10 0 EGAERP CC(C)N1CCC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000358960081 275634270 /nfs/dbraw/zinc/63/42/70/275634270.db2.gz AVCVUXZSNZSAAP-HXUWFJFHSA-N 2 0 343.515 3.162 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCCc3ccc(O)cc32)cc1 ZINC000283973620 275764889 /nfs/dbraw/zinc/76/48/89/275764889.db2.gz GQJZFSHILGMJRR-NRFANRHFSA-N 2 0 340.467 3.500 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342685692 278381931 /nfs/dbraw/zinc/38/19/31/278381931.db2.gz ZDBPMUGHVPBVSA-ROUUACIJSA-N 2 0 343.515 3.162 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000245466657 278395803 /nfs/dbraw/zinc/39/58/03/278395803.db2.gz JKMPUOYHEMDHPS-HUUCEWRRSA-N 2 0 337.508 3.058 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000353454203 279137568 /nfs/dbraw/zinc/13/75/68/279137568.db2.gz IIUFASXIYWSGQC-NJDAHSKKSA-N 3 0 329.532 3.491 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000354249684 279140765 /nfs/dbraw/zinc/14/07/65/279140765.db2.gz APZFKMFGNUOZOJ-IEBWSBKVSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367605178 290169614 /nfs/dbraw/zinc/16/96/14/290169614.db2.gz FNUUTWVKIVXQFC-YNWKUBOOSA-N 2 0 330.516 3.079 10 0 EGAERP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000248417689 308002829 /nfs/dbraw/zinc/00/28/29/308002829.db2.gz RNZVRTQSQRGFDR-YSTOQKLRSA-N 2 0 328.500 3.444 10 0 EGAERP c1nc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000248887143 308014474 /nfs/dbraw/zinc/01/44/74/308014474.db2.gz MKLPQFAKGWALCW-LDLYASANSA-N 2 0 327.497 3.471 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc3c[nH+]cn3c2)cc1 ZINC000297255447 308515071 /nfs/dbraw/zinc/51/50/71/308515071.db2.gz OUPCZVGRGPNHSS-UHFFFAOYSA-N 2 0 336.439 3.106 10 0 EGAERP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000414762985 309099211 /nfs/dbraw/zinc/09/92/11/309099211.db2.gz WVXTXFTWSWODQM-FBBABVLZSA-N 2 0 344.499 3.015 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000414817855 309103557 /nfs/dbraw/zinc/10/35/57/309103557.db2.gz TZVCDZCXHYHBRD-OAHLLOKOSA-N 2 0 338.430 3.380 10 0 EGAERP Cc1ccc2[nH+]ccc(NC3CC[NH+](C[C@@H]4CCOC4)CC3)c2c1 ZINC000302180009 308732295 /nfs/dbraw/zinc/73/22/95/308732295.db2.gz YZLWSBUKYRNQIC-INIZCTEOSA-N 2 0 325.456 3.456 10 0 EGAERP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897207 308763208 /nfs/dbraw/zinc/76/32/08/308763208.db2.gz LYSAQKNVCAZMLX-DLBZAZTESA-N 2 0 339.524 3.098 10 0 EGAERP c1ccc(COc2cccc(C[NH2+]CC[C@H]3CCC[NH2+]C3)c2)nc1 ZINC000414855463 309105873 /nfs/dbraw/zinc/10/58/73/309105873.db2.gz WOMKMCOXMZYHAF-QGZVFWFLSA-N 2 0 325.456 3.140 10 0 EGAERP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414865618 309106237 /nfs/dbraw/zinc/10/62/37/309106237.db2.gz ZHHCWZLLMOOVTF-VWWARQNISA-N 2 0 327.516 3.160 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000414910405 309108768 /nfs/dbraw/zinc/10/87/68/309108768.db2.gz CSBWPWVETUYPRX-DDTOSNHZSA-N 2 0 329.257 3.379 10 0 EGAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(OC(C)C)cc2)CCC[NH2+]1 ZINC000414942705 309110613 /nfs/dbraw/zinc/11/06/13/309110613.db2.gz KNMMXUTUHPLBGV-PWRODBHTSA-N 2 0 346.515 3.468 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1ccccc1 ZINC000414949007 309110898 /nfs/dbraw/zinc/11/08/98/309110898.db2.gz ZHXDTCTWTCGTEA-LPHOPBHVSA-N 2 0 340.467 3.362 10 0 EGAERP Clc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1Cl ZINC000415060368 309117552 /nfs/dbraw/zinc/11/75/52/309117552.db2.gz WMTFUCQTDSLLDR-UHFFFAOYSA-N 2 0 342.314 3.299 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCCCC[NH+]1CCCCC1 ZINC000415910197 309147750 /nfs/dbraw/zinc/14/77/50/309147750.db2.gz HNBWDHBDLGDVAA-UHFFFAOYSA-N 2 0 332.492 3.184 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000415921458 309148720 /nfs/dbraw/zinc/14/87/20/309148720.db2.gz QONJPHUGTTXYAN-MRXNPFEDSA-N 2 0 332.492 3.182 10 0 EGAERP CCN1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420413185 309287136 /nfs/dbraw/zinc/28/71/36/309287136.db2.gz SUEIOKRWOFELNS-DOPJRALCSA-N 2 0 339.886 3.204 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC(C)=C[C@@H](C)C3)CC2)CC1 ZINC000421374165 309321378 /nfs/dbraw/zinc/32/13/78/309321378.db2.gz NOXLVWRDTSXLCE-QUCCMNQESA-N 2 0 333.564 3.471 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777049 309367643 /nfs/dbraw/zinc/36/76/43/309367643.db2.gz DXYPBOPGYOWHGJ-ZIAGYGMSSA-N 2 0 341.455 3.249 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422893748 309374672 /nfs/dbraw/zinc/37/46/72/309374672.db2.gz AQDISLFKNJLBNI-QHAWAJNXSA-N 3 0 345.531 3.027 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCCCC[C@@H]2[NH3+])CCOCC1 ZINC000422895721 309374768 /nfs/dbraw/zinc/37/47/68/309374768.db2.gz GKFFYHURCIAVSO-RBUKOAKNSA-N 2 0 346.515 3.301 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOC1CCCCC1 ZINC000422935433 309376925 /nfs/dbraw/zinc/37/69/25/309376925.db2.gz AKCPKDFKCIRWPL-ICSRJNTNSA-N 2 0 330.472 3.181 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[NH2+]CC[C@H]3C)c2)C[C@@H](C)O1 ZINC000422954300 309377927 /nfs/dbraw/zinc/37/79/27/309377927.db2.gz HWLPZVHDHWQMGH-WOCWXWTJSA-N 2 0 331.504 3.096 10 0 EGAERP c1csc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000423093693 309385601 /nfs/dbraw/zinc/38/56/01/309385601.db2.gz ABGPZQMYERGUMT-BRWVUGGUSA-N 2 0 334.533 3.012 10 0 EGAERP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423109560 309386525 /nfs/dbraw/zinc/38/65/25/309386525.db2.gz HRSHFIIIDIVXDU-KZULUSFZSA-N 2 0 329.419 3.335 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]CC2CC(c3ccccc3)C2)CC[NH2+]CC1 ZINC000423117645 309386861 /nfs/dbraw/zinc/38/68/61/309386861.db2.gz WJLBJQULIYPPPC-MUYFXNHWSA-N 2 0 344.499 3.091 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@H]2CCOc3c(Br)cccc32)CC1 ZINC000423116761 309386908 /nfs/dbraw/zinc/38/69/08/309386908.db2.gz RLAORPYPQCZYMS-QOZQQMKHSA-N 2 0 339.277 3.380 10 0 EGAERP CC[C@H]([NH2+]CCCNCc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000423183731 309389580 /nfs/dbraw/zinc/38/95/80/309389580.db2.gz GUCRFRMSGKFDTR-SFHVURJKSA-N 2 0 341.455 3.073 10 0 EGAERP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192366 309389845 /nfs/dbraw/zinc/38/98/45/309389845.db2.gz UQWBZJJZOJZDFV-FRYIKTPZSA-N 2 0 331.479 3.305 10 0 EGAERP C[C@H](NCC1([NH3+])CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423198161 309390062 /nfs/dbraw/zinc/39/00/62/309390062.db2.gz DLFSEPRBNMWHHQ-KRWDZBQOSA-N 2 0 333.520 3.329 10 0 EGAERP Cc1ccc([C@H](CCn2cncn2)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423208066 309390550 /nfs/dbraw/zinc/39/05/50/309390550.db2.gz YPRKPPLIPLWFII-IBGZPJMESA-N 2 0 341.503 3.359 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000423215244 309390929 /nfs/dbraw/zinc/39/09/29/309390929.db2.gz MQEGGSNXSBDTFC-CMKODMSKSA-N 2 0 329.532 3.060 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](N)c1ccc(C(C)C)cc1 ZINC000423232717 309391707 /nfs/dbraw/zinc/39/17/07/309391707.db2.gz CQZBUCMUCKXXDA-XOBRGWDASA-N 3 0 326.488 3.323 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423358121 309396868 /nfs/dbraw/zinc/39/68/68/309396868.db2.gz TVBOQOMSUQNPRR-CQSZACIVSA-N 2 0 325.225 3.085 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C)oc3C)cn2)CC1 ZINC000447532393 309980977 /nfs/dbraw/zinc/98/09/77/309980977.db2.gz UDTJKUUUGNVACG-MRXNPFEDSA-N 2 0 342.487 3.284 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCC4)cn2)CC1 ZINC000449082686 310035751 /nfs/dbraw/zinc/03/57/51/310035751.db2.gz PBFMIKAXDNBXBW-GOSISDBHSA-N 2 0 328.504 3.036 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(CCO)CCOC2)CC1 ZINC000449192240 310043557 /nfs/dbraw/zinc/04/35/57/310043557.db2.gz TXGCLGIFZWIOGI-FQEVSTJZSA-N 2 0 340.552 3.044 10 0 EGAERP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449242196 310047015 /nfs/dbraw/zinc/04/70/15/310047015.db2.gz WMSOTGZUUCACOC-KURKYZTESA-N 2 0 346.515 3.259 10 0 EGAERP CO[C@@]1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOC1 ZINC000449250927 310047523 /nfs/dbraw/zinc/04/75/23/310047523.db2.gz OUHMQFMPGZTOOE-LJQANCHMSA-N 2 0 326.525 3.061 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCn3ccnc3C2)CC1 ZINC000449257545 310048080 /nfs/dbraw/zinc/04/80/80/310048080.db2.gz IZBPVEQUNUIYPS-KRWDZBQOSA-N 2 0 332.536 3.467 10 0 EGAERP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449337934 310054602 /nfs/dbraw/zinc/05/46/02/310054602.db2.gz QUVUAHMLPVHZNC-MOPGFXCFSA-N 2 0 331.548 3.400 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1 ZINC000449509179 310067989 /nfs/dbraw/zinc/06/79/89/310067989.db2.gz ITTWYPGQOBLADM-YSHGAJCASA-N 2 0 336.520 3.351 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561317 310130187 /nfs/dbraw/zinc/13/01/87/310130187.db2.gz HCICJNDNRWZBEG-RXVVDRJESA-N 2 0 340.515 3.288 10 0 EGAERP Cn1cc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C(C)(C)C)cn1 ZINC000459419308 310551320 /nfs/dbraw/zinc/55/13/20/310551320.db2.gz FCBZFLHPFZRVKI-GOSISDBHSA-N 2 0 327.476 3.161 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727629 312101417 /nfs/dbraw/zinc/10/14/17/312101417.db2.gz SXTZXEDMJZUYLQ-JXFKEZNVSA-N 2 0 327.472 3.428 10 0 EGAERP COc1ccccc1/C=C/C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512468072 312186719 /nfs/dbraw/zinc/18/67/19/312186719.db2.gz HWEIQSCECSBBEE-GQCTYLIASA-N 2 0 344.499 3.143 10 0 EGAERP CCc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000514692713 312239033 /nfs/dbraw/zinc/23/90/33/312239033.db2.gz ALSAFIFZAPGIQG-SJPCQFCGSA-N 2 0 333.545 3.053 10 0 EGAERP C[NH+]1CCN(c2cc[nH+]cc2NCCCCOc2ccccc2)CC1 ZINC000525863677 312762432 /nfs/dbraw/zinc/76/24/32/312762432.db2.gz PZCAGAGZOOCXSI-UHFFFAOYSA-N 2 0 340.471 3.105 10 0 EGAERP CCOc1cc(CN2CC[C@]3(C2)CCC[N@H+](C)C3)c(F)cc1OC ZINC000529589033 313362905 /nfs/dbraw/zinc/36/29/05/313362905.db2.gz MYIVTTFPKRMJTN-LJQANCHMSA-N 2 0 336.451 3.151 10 0 EGAERP C(C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1)[C@H]1CCC[NH2+]C1 ZINC000530225932 313501224 /nfs/dbraw/zinc/50/12/24/313501224.db2.gz YKXPHWAGILFHFV-QGZVFWFLSA-N 2 0 346.519 3.371 10 0 EGAERP COc1cc2c(cc1C[NH2+]C1CCC(C[NH+](C)C)CC1)O[C@H](C)C2 ZINC000533392263 313902563 /nfs/dbraw/zinc/90/25/63/313902563.db2.gz IUBNVRJIQAIXPW-KSTDHSDQSA-N 2 0 332.488 3.229 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOC2(CCCC2)C1 ZINC000542307700 314533970 /nfs/dbraw/zinc/53/39/70/314533970.db2.gz SRJYEXCPIWRYRT-QGZVFWFLSA-N 2 0 326.444 3.157 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCC12CCOCC2 ZINC000548846916 315054655 /nfs/dbraw/zinc/05/46/55/315054655.db2.gz SRNCPRGAPGVODS-GOSISDBHSA-N 2 0 326.444 3.015 10 0 EGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554045553 315295389 /nfs/dbraw/zinc/29/53/89/315295389.db2.gz NPWWISPZVOJNLO-IRXDYDNUSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)(C)OC(=O)c1ccc(C[NH2+]Cc2cnc3n2CCCC3)cc1 ZINC000564554343 316166421 /nfs/dbraw/zinc/16/64/21/316166421.db2.gz CHGBYEWAXVEWMJ-UHFFFAOYSA-N 2 0 341.455 3.465 10 0 EGAERP COc1ccc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1OCC(C)C ZINC000565481074 316329767 /nfs/dbraw/zinc/32/97/67/316329767.db2.gz NNYNZSARNPEEIN-FQEVSTJZSA-N 2 0 332.488 3.306 10 0 EGAERP C[C@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000571516330 317210012 /nfs/dbraw/zinc/21/00/12/317210012.db2.gz QYEZLRCUAIVKRS-UTKZUKDTSA-N 2 0 326.484 3.045 10 0 EGAERP COc1cc2c(cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)O[C@@H](C)C2 ZINC000572129216 317295978 /nfs/dbraw/zinc/29/59/78/317295978.db2.gz COJATTDOLUGVEC-UONOGXRCSA-N 2 0 326.440 3.328 10 0 EGAERP Cc1cccc(C[NH+](CC[C@H]2CCC[NH2+]C2)Cc2cccc(C)n2)n1 ZINC000579250440 325084846 /nfs/dbraw/zinc/08/48/46/325084846.db2.gz XBNQSSHDGLWMJG-LJQANCHMSA-N 2 0 338.499 3.485 10 0 EGAERP O=C(c1ccccc1)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000579602863 325134452 /nfs/dbraw/zinc/13/44/52/325134452.db2.gz WNMIUGBWXMCKKH-UHFFFAOYSA-N 2 0 334.463 3.427 10 0 EGAERP COc1cc(C)c(C[N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)cc1OC ZINC000581315659 325351415 /nfs/dbraw/zinc/35/14/15/325351415.db2.gz MMZQHNSRWGQNOR-UHFFFAOYSA-N 2 0 340.467 3.290 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000583552547 325533423 /nfs/dbraw/zinc/53/34/23/325533423.db2.gz SQQRCPSCFQZPFG-OXQOHEQNSA-N 2 0 347.466 3.022 10 0 EGAERP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000530224829 458723080 /nfs/dbraw/zinc/72/30/80/458723080.db2.gz MNQCZWQTLSJSKO-KNXALSJPSA-N 2 0 330.303 3.326 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440428 460551245 /nfs/dbraw/zinc/55/12/45/460551245.db2.gz VOIHYSBMAQDRJQ-YZGWKJHDSA-N 2 0 329.532 3.359 10 0 EGAERP C[N@@H+]1CC[C@@H](N[C@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515584 460591839 /nfs/dbraw/zinc/59/18/39/460591839.db2.gz HHKLGJIBLPNAIN-RTBURBONSA-N 2 0 339.483 3.052 10 0 EGAERP CC[C@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000626655420 460616559 /nfs/dbraw/zinc/61/65/59/460616559.db2.gz XJCKBYFHXIKZMS-INIZCTEOSA-N 2 0 334.508 3.157 10 0 EGAERP Cc1c[nH+]ccc1N1CCC[N@@H+](C2CCC3(CC[NH2+]CC3)CC2)CC1 ZINC000067982787 453986344 /nfs/dbraw/zinc/98/63/44/453986344.db2.gz JCENBKYQJQNCGN-UHFFFAOYSA-N 3 0 342.531 3.215 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)C[C@@H](C)O)CC1 ZINC000088734749 454117654 /nfs/dbraw/zinc/11/76/54/454117654.db2.gz DHRZNGIMLUDYPF-GOSISDBHSA-N 2 0 347.547 3.105 10 0 EGAERP C[C@@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)Cc1ccccc1 ZINC000182066323 455427403 /nfs/dbraw/zinc/42/74/03/455427403.db2.gz KCLTXLQVMPZDQB-HXUWFJFHSA-N 2 0 343.559 3.405 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C2CCC(O)CC2)cc1C[NH+]1CCCC1 ZINC000095427049 454210135 /nfs/dbraw/zinc/21/01/35/454210135.db2.gz LAJBYJOSLIYPJD-VNCLNFNDSA-N 2 0 332.488 3.245 10 0 EGAERP Cn1ncc2c1CCC[C@@H]2[NH2+]C[C@@H]1CCCCN1Cc1ccccc1 ZINC000119693092 454212703 /nfs/dbraw/zinc/21/27/03/454212703.db2.gz WHKPXWKOFLQUAP-ICSRJNTNSA-N 2 0 338.499 3.442 10 0 EGAERP Cc1ccc2c(c1)[C@H](NC1CC[NH+](C[C@H]3CCOC3)CC1)CCCO2 ZINC000132976253 454383193 /nfs/dbraw/zinc/38/31/93/454383193.db2.gz VUXKFADSWIIPBD-YLJYHZDGSA-N 2 0 344.499 3.299 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000081096145 454685242 /nfs/dbraw/zinc/68/52/42/454685242.db2.gz DKALSWSVNTVZHW-PBHICJAKSA-N 2 0 337.895 3.331 10 0 EGAERP Cc1cc(NC[C@@H](c2cnn(C)c2)[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000126671403 454910796 /nfs/dbraw/zinc/91/07/96/454910796.db2.gz JOYAFRXCWPPKJW-SFHVURJKSA-N 2 0 327.407 3.131 10 0 EGAERP C[NH2+][C@@H]1CCN(c2cc[nH+]c(NC34CC5CC(CC(C5)C3)C4)c2)C1 ZINC000114700097 454969650 /nfs/dbraw/zinc/96/96/50/454969650.db2.gz ZSNJJRDOZANNPT-VQBCORBOSA-N 2 0 326.488 3.260 10 0 EGAERP COc1ccccc1/C=C/C[NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000237300298 455170848 /nfs/dbraw/zinc/17/08/48/455170848.db2.gz HCGODQIGMSFPNM-BTDMYGSTSA-N 2 0 332.488 3.187 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000245500904 455315831 /nfs/dbraw/zinc/31/58/31/455315831.db2.gz AFPVNCVCVIVGRR-QRWLVFNGSA-N 2 0 334.479 3.228 10 0 EGAERP Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245743675 455370019 /nfs/dbraw/zinc/37/00/19/455370019.db2.gz MJIMMHLATHWCLV-HNAYVOBHSA-N 2 0 326.488 3.404 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182060214 455425896 /nfs/dbraw/zinc/42/58/96/455425896.db2.gz PFZYBYZNSMTCEW-BEFAXECRSA-N 2 0 339.474 3.135 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C)C2)c1 ZINC000246101983 455427053 /nfs/dbraw/zinc/42/70/53/455427053.db2.gz JHCRLOLHKKPRDM-AZUAARDMSA-N 2 0 332.488 3.018 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@@H]1C=CCCC1 ZINC000246263143 455460467 /nfs/dbraw/zinc/46/04/67/455460467.db2.gz OWAYXHIPBGSYPJ-NHCUHLMSSA-N 2 0 328.500 3.473 10 0 EGAERP COc1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000271369228 455613275 /nfs/dbraw/zinc/61/32/75/455613275.db2.gz RAACDOVVMSUYJW-UHFFFAOYSA-N 2 0 340.471 3.224 10 0 EGAERP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](CC4CCOCC4)CC[C@H]32)cc1 ZINC000247994699 455667384 /nfs/dbraw/zinc/66/73/84/455667384.db2.gz JTRQPLGWNDKNJQ-NHCUHLMSSA-N 2 0 328.500 3.400 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000268895069 455722242 /nfs/dbraw/zinc/72/22/42/455722242.db2.gz ARVQBOHEEHUCCW-PBASOCQRSA-N 2 0 329.532 3.359 10 0 EGAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000252585995 455822988 /nfs/dbraw/zinc/82/29/88/455822988.db2.gz MRKYPWVXNCMYRV-RTWAWAEBSA-N 2 0 348.531 3.149 10 0 EGAERP CC[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H](O)C(F)F ZINC000296312868 455906287 /nfs/dbraw/zinc/90/62/87/455906287.db2.gz GKWRXSNTQXNPMJ-ZGUYJTEBSA-N 2 0 340.458 3.424 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]2C[NH3+])CCCC1)c1ccccc1 ZINC000261693155 455928835 /nfs/dbraw/zinc/92/88/35/455928835.db2.gz HTGLRHQMWQHCKM-QXAKKESOSA-N 2 0 343.515 3.141 10 0 EGAERP CC[N@H+](CCOc1ccc(Br)cc1)C[C@]1(C)CC[NH2+]C1 ZINC000261776730 455946434 /nfs/dbraw/zinc/94/64/34/455946434.db2.gz NKZHHCWGIQFROW-MRXNPFEDSA-N 2 0 341.293 3.149 10 0 EGAERP CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH2+][C@H](C)c1ccccc1 ZINC000261860920 455960569 /nfs/dbraw/zinc/96/05/69/455960569.db2.gz WXOOLPCXLARZCL-BHIYHBOVSA-N 2 0 345.531 3.387 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000280743322 456043482 /nfs/dbraw/zinc/04/34/82/456043482.db2.gz ORZILDYBBADBJA-DYVFJYSZSA-N 2 0 329.419 3.303 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](N3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246477 456189334 /nfs/dbraw/zinc/18/93/34/456189334.db2.gz CPQMDDYCWHPJEL-RTWAWAEBSA-N 2 0 327.516 3.069 10 0 EGAERP COc1ccc(CC[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1O ZINC000297435512 456220070 /nfs/dbraw/zinc/22/00/70/456220070.db2.gz FUVMDEQMCDGAMG-CQSZACIVSA-N 2 0 325.412 3.159 10 0 EGAERP CC(C)[NH+](CCCNC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)C(C)C ZINC000347660435 456288237 /nfs/dbraw/zinc/28/82/37/456288237.db2.gz WEPNTFMCZIMEMJ-HDICACEKSA-N 2 0 340.556 3.057 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000297812268 456299830 /nfs/dbraw/zinc/29/98/30/456299830.db2.gz YEAMTLIJULEJQJ-SFHVURJKSA-N 2 0 345.531 3.123 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H]1SC ZINC000298283258 456413586 /nfs/dbraw/zinc/41/35/86/456413586.db2.gz GYFUZBBRPMFKIV-GUDVDZBRSA-N 2 0 334.529 3.281 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1(C)C ZINC000282242286 456453736 /nfs/dbraw/zinc/45/37/36/456453736.db2.gz JECRHMNBDUETJO-SFHVURJKSA-N 2 0 335.923 3.407 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000353078842 456475691 /nfs/dbraw/zinc/47/56/91/456475691.db2.gz QRFUOHNFRUGLNW-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000340470086 456479588 /nfs/dbraw/zinc/47/95/88/456479588.db2.gz ZKVBYRWSUIJPJW-FXAWDEMLSA-N 2 0 341.503 3.078 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657898733 462311348 /nfs/dbraw/zinc/31/13/48/462311348.db2.gz REDRQQYYXACWNR-IBGZPJMESA-N 2 0 338.536 3.205 10 0 EGAERP Cn1nnc2cc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000353283727 456609708 /nfs/dbraw/zinc/60/97/08/456609708.db2.gz BAIDQDMELUUZAX-SFHVURJKSA-N 2 0 341.503 3.056 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000353404314 456678949 /nfs/dbraw/zinc/67/89/49/456678949.db2.gz OHZQUHPSGICXBC-KBMXLJTQSA-N 2 0 336.863 3.074 10 0 EGAERP COc1cc2cc[nH+]c(NCCCCn3ccnc3)c2cc1OC ZINC000326061147 456690172 /nfs/dbraw/zinc/69/01/72/456690172.db2.gz FARKXHTVRBUQKQ-UHFFFAOYSA-N 2 0 326.400 3.341 10 0 EGAERP Cc1cc(N2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c2ccccc2[nH+]1 ZINC000301185794 456816701 /nfs/dbraw/zinc/81/67/01/456816701.db2.gz JVIQEVGSPVVCMV-GOSISDBHSA-N 2 0 338.499 3.150 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339067408 456925076 /nfs/dbraw/zinc/92/50/76/456925076.db2.gz HQNAYYHVWXCSLF-NHCUHLMSSA-N 2 0 327.516 3.389 10 0 EGAERP CN(c1ccccc1C[N@H+](C)Cc1ccc[nH]1)C1CC[NH+](C)CC1 ZINC000354025761 457016893 /nfs/dbraw/zinc/01/68/93/457016893.db2.gz JAYNIHIYSKNDRI-UHFFFAOYSA-N 2 0 326.488 3.177 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@@H]1CCCO1 ZINC000356516924 457031664 /nfs/dbraw/zinc/03/16/64/457031664.db2.gz BSROEFGLDWXNKF-OALUTQOASA-N 2 0 338.455 3.109 10 0 EGAERP CC(C)N(C)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000356645676 457100324 /nfs/dbraw/zinc/10/03/24/457100324.db2.gz CMVKWNPCVICXPS-QGZVFWFLSA-N 2 0 331.504 3.017 10 0 EGAERP CC[C@@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356954506 457241915 /nfs/dbraw/zinc/24/19/15/457241915.db2.gz DEBCJKYHHNOZFE-WOJBJXKFSA-N 2 0 338.536 3.016 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000357222207 457382624 /nfs/dbraw/zinc/38/26/24/457382624.db2.gz PWNUVFBDWBZBAH-JFIYKMOQSA-N 2 0 349.544 3.122 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000370120289 457552621 /nfs/dbraw/zinc/55/26/21/457552621.db2.gz ISUNOXOTNHOPIO-FAEJEUNOSA-N 2 0 332.488 3.241 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000357642224 457637324 /nfs/dbraw/zinc/63/73/24/457637324.db2.gz AJOWFOQJKFNLDY-PKOBYXMFSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCN1[C@H](C)CCC[C@H]1C ZINC000361221307 457651019 /nfs/dbraw/zinc/65/10/19/457651019.db2.gz REOGEJIUNZNUQQ-XCJLJZCSSA-N 2 0 344.547 3.145 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@H]2O)[C@@H](C)C1 ZINC000358315016 457928791 /nfs/dbraw/zinc/92/87/91/457928791.db2.gz GCWZIWHZJLZUPW-LWYYNNOASA-N 2 0 340.552 3.044 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000375794886 458067960 /nfs/dbraw/zinc/06/79/60/458067960.db2.gz WELHMYDXUBYXJX-GBESFXJTSA-N 2 0 328.504 3.034 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375896437 458114377 /nfs/dbraw/zinc/11/43/77/458114377.db2.gz WUADCPUKPSFXKW-ZCNNSNEGSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000376028322 458169316 /nfs/dbraw/zinc/16/93/16/458169316.db2.gz JCWQHMXONMNKAF-MAKTXDPSSA-N 2 0 327.516 3.256 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC000373026027 458379807 /nfs/dbraw/zinc/37/98/07/458379807.db2.gz QUHKOOIJGAZTKE-LXHROKJGSA-N 2 0 339.527 3.398 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CN(Cc2ccccc2)C1 ZINC000459662700 458439878 /nfs/dbraw/zinc/43/98/78/458439878.db2.gz VCINODYTVRQPKE-PXNSSMCTSA-N 2 0 334.467 3.335 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1F ZINC000459663269 458440398 /nfs/dbraw/zinc/44/03/98/458440398.db2.gz WSYKFMHVRMDQCU-AWEZNQCLSA-N 2 0 327.403 3.450 10 0 EGAERP C[C@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2sccc21 ZINC000423501181 458445246 /nfs/dbraw/zinc/44/52/46/458445246.db2.gz AYVXSXISOFSCND-USSHROBNSA-N 2 0 333.545 3.493 10 0 EGAERP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373498283 458511065 /nfs/dbraw/zinc/51/10/65/458511065.db2.gz YELPAXCGLNEQPF-NNGSBXSVSA-N 2 0 333.451 3.149 10 0 EGAERP CC[C@@H]1CCC[C@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714565 458512881 /nfs/dbraw/zinc/51/28/81/458512881.db2.gz ICHPNJHQCZPVFR-DQKSBWHRSA-N 2 0 333.564 3.446 10 0 EGAERP F[C@@]1(c2ccccc2)C[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000424199820 458583029 /nfs/dbraw/zinc/58/30/29/458583029.db2.gz QIFJQGFEHLIFPM-WOJBJXKFSA-N 2 0 325.431 3.273 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000431570133 458590648 /nfs/dbraw/zinc/59/06/48/458590648.db2.gz LQQXSFIDHWHSDM-VQTJNVASSA-N 2 0 343.515 3.204 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[NH+]1C ZINC000431747903 458616758 /nfs/dbraw/zinc/61/67/58/458616758.db2.gz BWOYGSBYZAONRF-HXUWFJFHSA-N 2 0 345.531 3.408 10 0 EGAERP C[C@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373833695 458618775 /nfs/dbraw/zinc/61/87/75/458618775.db2.gz WPEIMTMHSSAJLI-FAEJEUNOSA-N 2 0 330.472 3.343 10 0 EGAERP C[NH+](C)CC1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431835155 458632331 /nfs/dbraw/zinc/63/23/31/458632331.db2.gz XBQWUAUVWYKUCU-TVPLGVNVSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789354 458652938 /nfs/dbraw/zinc/65/29/38/458652938.db2.gz LGWLFNULZYYVNM-KRWDZBQOSA-N 2 0 332.488 3.463 10 0 EGAERP c1ccc2cc(CC[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530241738 458727472 /nfs/dbraw/zinc/72/74/72/458727472.db2.gz QIBKJBOESNILRK-QFIPXVFZSA-N 2 0 338.495 3.473 10 0 EGAERP Cc1cc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc2cccnc12 ZINC000530248137 458730364 /nfs/dbraw/zinc/73/03/64/458730364.db2.gz GYFLEORLLDSQQK-HXUWFJFHSA-N 2 0 339.483 3.134 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000494925758 458766979 /nfs/dbraw/zinc/76/69/79/458766979.db2.gz YTMXSMIGDUPION-APWZRJJASA-N 2 0 343.515 3.208 10 0 EGAERP COc1cccc([C@@H](C)[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000441046097 458879656 /nfs/dbraw/zinc/87/96/56/458879656.db2.gz CPLNYRDNNNGJGK-GOSISDBHSA-N 2 0 345.531 3.247 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000474923644 458907670 /nfs/dbraw/zinc/90/76/70/458907670.db2.gz HCBSPTPGDUZKMH-TZIWHRDSSA-N 2 0 331.548 3.432 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000475336528 458937381 /nfs/dbraw/zinc/93/73/81/458937381.db2.gz SPJFOWNGUKCQAI-JRGCBEDISA-N 2 0 330.516 3.428 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000566791628 459001605 /nfs/dbraw/zinc/00/16/05/459001605.db2.gz CQSHHUXJBOHSGJ-UHFFFAOYSA-N 2 0 339.430 3.005 10 0 EGAERP Cc1ccc([C@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000519940969 459024024 /nfs/dbraw/zinc/02/40/24/459024024.db2.gz ICFGJEQEWOQFQK-KRWDZBQOSA-N 2 0 343.515 3.039 10 0 EGAERP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC ZINC000556868431 459024732 /nfs/dbraw/zinc/02/47/32/459024732.db2.gz PSILRYMRTHDLAN-GUDVDZBRSA-N 2 0 346.515 3.489 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000594520918 459077904 /nfs/dbraw/zinc/07/79/04/459077904.db2.gz OCBPWZIOTNRLOY-IBGZPJMESA-N 2 0 330.472 3.315 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000581983222 459285707 /nfs/dbraw/zinc/28/57/07/459285707.db2.gz OAHBSAMXQXESKG-SFHVURJKSA-N 2 0 332.488 3.381 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+](C)C1CCCC1 ZINC000482557414 459314093 /nfs/dbraw/zinc/31/40/93/459314093.db2.gz KUFYUQYGMSVEAY-GHTZIAJQSA-N 2 0 329.532 3.361 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(OCC)cc2)CC[NH2+]CC1 ZINC000591567567 459403256 /nfs/dbraw/zinc/40/32/56/459403256.db2.gz YBQQNBDDODXVAJ-JKSUJKDBSA-N 2 0 348.487 3.057 10 0 EGAERP CCCOc1c(Cl)cc(C[NH2+]CCCN2CCC2)cc1OC ZINC000569709058 459498019 /nfs/dbraw/zinc/49/80/19/459498019.db2.gz ZKYWMNUBWYKPGT-UHFFFAOYSA-N 2 0 326.868 3.323 10 0 EGAERP FC(F)(F)COCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138993 459623224 /nfs/dbraw/zinc/62/32/24/459623224.db2.gz LHSQNWGBXBRGSB-BJWYYQGGSA-N 2 0 342.405 3.351 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]([NH3+])c4ccccc43)C2)c1 ZINC000584047354 459641023 /nfs/dbraw/zinc/64/10/23/459641023.db2.gz NBXHDBDNHGFFAP-JHVJFLLYSA-N 2 0 337.467 3.398 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000527692246 459703090 /nfs/dbraw/zinc/70/30/90/459703090.db2.gz RFVBNRRIADENMA-IDCXYZFESA-N 2 0 328.500 3.168 10 0 EGAERP CCOc1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c(F)cc1OC ZINC000527699607 459705840 /nfs/dbraw/zinc/70/58/40/459705840.db2.gz IPYNLOPDKIGYLO-UHFFFAOYSA-N 2 0 336.451 3.197 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000527810190 459744844 /nfs/dbraw/zinc/74/48/44/459744844.db2.gz VCCXGUIZHDQKRT-LMNJBCLMSA-N 2 0 327.516 3.428 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527857643 459759278 /nfs/dbraw/zinc/75/92/78/459759278.db2.gz DCMIJLLZFBIKTK-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000527987446 459788802 /nfs/dbraw/zinc/78/88/02/459788802.db2.gz NAYNUWILTHTWJN-APWZRJJASA-N 2 0 331.504 3.265 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2(COC)CC2)CC1 ZINC000574571240 459835563 /nfs/dbraw/zinc/83/55/63/459835563.db2.gz CCHWWOWOVCTBES-UHFFFAOYSA-N 2 0 345.531 3.125 10 0 EGAERP C[C@@H]1C[C@H]([N@H+](C)CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000625222662 460077830 /nfs/dbraw/zinc/07/78/30/460077830.db2.gz OQWQOCFIGDVBPI-UYAOXDASSA-N 2 0 346.515 3.167 10 0 EGAERP Cn1nc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c2ccccc21 ZINC000589638154 460117682 /nfs/dbraw/zinc/11/76/82/460117682.db2.gz MCQGXZNQJZCSBP-UHFFFAOYSA-N 2 0 334.467 3.459 10 0 EGAERP CCO[C@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000625415214 460165914 /nfs/dbraw/zinc/16/59/14/460165914.db2.gz RZVZXMIUPYLBOP-HXUWFJFHSA-N 2 0 325.456 3.172 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cccnc3c2)[C@@H](C)C1 ZINC000604418239 460425226 /nfs/dbraw/zinc/42/52/26/460425226.db2.gz NKEDSBHNQSONHD-FXAWDEMLSA-N 2 0 341.499 3.461 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(C2CCC2)cc1 ZINC000631574741 460451088 /nfs/dbraw/zinc/45/10/88/460451088.db2.gz FGDWVIWZRKWHNQ-ZWKOTPCHSA-N 2 0 329.532 3.488 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386362 460522121 /nfs/dbraw/zinc/52/21/21/460522121.db2.gz SRRUGVPICFFCOX-SJORKVTESA-N 2 0 335.561 3.423 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2Br)CC1(C)C ZINC000623386013 460522196 /nfs/dbraw/zinc/52/21/96/460522196.db2.gz HEFJNKDLCUZYTO-CQSZACIVSA-N 2 0 325.294 3.454 10 0 EGAERP C[C@@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421630 460539854 /nfs/dbraw/zinc/53/98/54/460539854.db2.gz TYXKYOFFEGKLJX-SEVLPDGMSA-N 2 0 328.500 3.038 10 0 EGAERP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387368 460746875 /nfs/dbraw/zinc/74/68/75/460746875.db2.gz FTANQNSQSBEXDT-CYBMUJFWSA-N 2 0 330.394 3.124 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519923 460792225 /nfs/dbraw/zinc/79/22/25/460792225.db2.gz SGMPNFVURUMUPW-DBXWQHBBSA-N 2 0 349.478 3.243 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629529349 460797329 /nfs/dbraw/zinc/79/73/29/460797329.db2.gz AGOGIZKIXNPOEZ-LJQANCHMSA-N 2 0 334.410 3.074 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000629529324 460797696 /nfs/dbraw/zinc/79/76/96/460797696.db2.gz ZORRJVFFIHZLFJ-IBGZPJMESA-N 2 0 332.875 3.449 10 0 EGAERP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)c2cc1Cl ZINC000629545354 460802352 /nfs/dbraw/zinc/80/23/52/460802352.db2.gz KGEOQFWMQMCENG-FPMFFAJLSA-N 2 0 335.854 3.481 10 0 EGAERP Cc1cncn1C1CCN(c2nc3ccccc3n3cncc23)CC1 ZINC000624175184 460896340 /nfs/dbraw/zinc/89/63/40/460896340.db2.gz LAJBXGSKZONAEF-UHFFFAOYSA-N 2 0 332.411 3.229 10 0 EGAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624310827 460952814 /nfs/dbraw/zinc/95/28/14/460952814.db2.gz LGPAMNIJBMSNQD-CRSSMBPESA-N 2 0 328.500 3.302 10 0 EGAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCCc3cccc(Cl)c3)CC2)C1 ZINC000621322220 460987567 /nfs/dbraw/zinc/98/75/67/460987567.db2.gz NWJAYIVWGPIDAI-LJQANCHMSA-N 2 0 336.907 3.194 10 0 EGAERP CN(c1ccccc1C[NH2+]CC[C@@H]1CC1(F)F)C1CC[NH+](C)CC1 ZINC000621378350 461014164 /nfs/dbraw/zinc/01/41/64/461014164.db2.gz UVVZNDPYKFJAPL-MRXNPFEDSA-N 2 0 337.458 3.352 10 0 EGAERP Fc1cccc(CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662258541 461148312 /nfs/dbraw/zinc/14/83/12/461148312.db2.gz JRUWBIPHBIHYGK-IBGZPJMESA-N 2 0 332.463 3.134 10 0 EGAERP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362004 461154237 /nfs/dbraw/zinc/15/42/37/461154237.db2.gz VLNUBAYWRSXYFD-NRSPTQNISA-N 2 0 346.515 3.433 10 0 EGAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288733 461276560 /nfs/dbraw/zinc/27/65/60/461276560.db2.gz QAHLCGCEIIMWHX-CTNGQTDRSA-N 2 0 349.478 3.002 10 0 EGAERP C[C@@]1(C2CC2)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000668462512 461293041 /nfs/dbraw/zinc/29/30/41/461293041.db2.gz HLKBNQULUNVKGS-NRFANRHFSA-N 2 0 344.499 3.162 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CCc3cccc(Cl)c3)cc2)C1 ZINC000668489799 461302678 /nfs/dbraw/zinc/30/26/78/461302678.db2.gz MWZLBQUYNIICMU-FQEVSTJZSA-N 2 0 344.886 3.239 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000662593070 461309202 /nfs/dbraw/zinc/30/92/02/461309202.db2.gz GWMQYKYNYIVGKQ-VQTJNVASSA-N 2 0 349.563 3.303 10 0 EGAERP CC[NH+](CC)CCOc1ccc(NC(=O)C2([NH2+]C3CC3)CCC2)cc1 ZINC000662673564 461343929 /nfs/dbraw/zinc/34/39/29/461343929.db2.gz NHGHODFAZYSGBS-UHFFFAOYSA-N 2 0 345.487 3.020 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000655805176 461465876 /nfs/dbraw/zinc/46/58/76/461465876.db2.gz KAHCXVBWYQWRNU-WARAAXDBSA-N 3 0 327.516 3.112 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2c(F)ccc(Br)c2F)C1 ZINC000655825037 461481099 /nfs/dbraw/zinc/48/10/99/461481099.db2.gz UMPYEQPJGHIQBT-AOOOYVTPSA-N 2 0 333.220 3.157 10 0 EGAERP COc1cncc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)c1C ZINC000631055905 461508179 /nfs/dbraw/zinc/50/81/79/461508179.db2.gz ASVWBXMQRWVOSD-UHFFFAOYSA-N 2 0 345.512 3.462 10 0 EGAERP CC(=O)Nc1cccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)c1 ZINC000631073523 461523084 /nfs/dbraw/zinc/52/30/84/461523084.db2.gz KWEIMYNCQXHBRL-UHFFFAOYSA-N 2 0 329.419 3.136 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NCc1ccccc1C[NH2+]C)c1ccccc1 ZINC000653214319 461566003 /nfs/dbraw/zinc/56/60/03/461566003.db2.gz PQZUAHJODMQAME-HXUWFJFHSA-N 2 0 339.483 3.105 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647282827 461610646 /nfs/dbraw/zinc/61/06/46/461610646.db2.gz WLPKZRMZAONBAW-HXUWFJFHSA-N 2 0 332.536 3.176 10 0 EGAERP COC[C@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344599 461646647 /nfs/dbraw/zinc/64/66/47/461646647.db2.gz VGNTYPVUSAYZMV-FSSWDIPSSA-N 2 0 338.495 3.179 10 0 EGAERP CC(C)n1ccc(C[C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647343945 461647562 /nfs/dbraw/zinc/64/75/62/461647562.db2.gz GDGXPKMJZPLWCT-QFUCXCTJSA-N 2 0 340.515 3.330 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]Cc2ccc(C(C)(C)C)cc2)CC1 ZINC000663504459 461676335 /nfs/dbraw/zinc/67/63/35/461676335.db2.gz YDULFRIEOBQANR-UHFFFAOYSA-N 2 0 345.531 3.064 10 0 EGAERP CSc1cccc(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000660277150 461682667 /nfs/dbraw/zinc/68/26/67/461682667.db2.gz USWKYNYVRRBLDD-UHFFFAOYSA-N 2 0 347.572 3.258 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000643456701 461732691 /nfs/dbraw/zinc/73/26/91/461732691.db2.gz FMJJIPVKOHMTFA-QUCCMNQESA-N 2 0 328.456 3.128 10 0 EGAERP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2ccncc2)cc1 ZINC000656405668 461735840 /nfs/dbraw/zinc/73/58/40/461735840.db2.gz QIZBXQDRJXEAGM-GPJHCHHRSA-N 2 0 347.506 3.467 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)c2nc(C)nc(C)c2Br)[C@H](C)C1 ZINC000663658558 461740152 /nfs/dbraw/zinc/74/01/52/461740152.db2.gz MWXMRUPGTZOVBD-MFKMUULPSA-N 2 0 341.297 3.022 10 0 EGAERP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543537 461756496 /nfs/dbraw/zinc/75/64/96/461756496.db2.gz OZAIZFGRDMLCQK-CVEARBPZSA-N 2 0 342.512 3.417 10 0 EGAERP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1CCN(C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639190779 461793373 /nfs/dbraw/zinc/79/33/73/461793373.db2.gz CJFMYWQSJHUAKK-WWMYMODYSA-N 3 0 336.483 3.225 10 0 EGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](C3CCC3)C3CCCCC3)C2)CC1 ZINC000643883255 461826280 /nfs/dbraw/zinc/82/62/80/461826280.db2.gz GSVMWKVFFRHDLG-TZIWHRDSSA-N 2 0 333.564 3.494 10 0 EGAERP c1cc(CCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000656782352 461892593 /nfs/dbraw/zinc/89/25/93/461892593.db2.gz FIGDUALOIGHCQE-FQEVSTJZSA-N 2 0 328.500 3.266 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650706407 461900124 /nfs/dbraw/zinc/90/01/24/461900124.db2.gz JUAWWQZJGWKMTL-FHWLQOOXSA-N 2 0 332.488 3.030 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000647962121 461910055 /nfs/dbraw/zinc/91/00/55/461910055.db2.gz NLSDCYLKJWAFBN-RTWAWAEBSA-N 2 0 330.516 3.382 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C)nc1C1CCCCC1 ZINC000650719374 461911419 /nfs/dbraw/zinc/91/14/19/461911419.db2.gz NXNHMRLHWPTJPV-UHFFFAOYSA-N 2 0 326.488 3.477 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650740149 461928512 /nfs/dbraw/zinc/92/85/12/461928512.db2.gz HMMXZNSZLKHJNU-MRXNPFEDSA-N 2 0 332.419 3.462 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(OCCOC)cc1 ZINC000650758146 461939073 /nfs/dbraw/zinc/93/90/73/461939073.db2.gz KCZKEZHTTORZFP-MRXNPFEDSA-N 2 0 328.456 3.282 10 0 EGAERP Cc1ccc2[nH+]ccc(NCc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)c2c1 ZINC000664238111 461992896 /nfs/dbraw/zinc/99/28/96/461992896.db2.gz WFQMDBDQCBUYBO-LJQANCHMSA-N 2 0 347.462 3.144 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657304136 462029384 /nfs/dbraw/zinc/02/93/84/462029384.db2.gz JBTVULLDSDOZCI-UHFFFAOYSA-N 2 0 329.532 3.460 10 0 EGAERP c1cc(C[NH2+]C[C@@H]2SCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657390584 462092026 /nfs/dbraw/zinc/09/20/26/462092026.db2.gz YKUNICMIRMYBLQ-IBGZPJMESA-N 2 0 336.464 3.388 10 0 EGAERP CCCOc1cccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657411813 462106153 /nfs/dbraw/zinc/10/61/53/462106153.db2.gz YTXIOGYACIVQHT-UHFFFAOYSA-N 2 0 336.439 3.388 10 0 EGAERP COc1ccccc1C1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCC1 ZINC000657434938 462120878 /nfs/dbraw/zinc/12/08/78/462120878.db2.gz LXZAURRCSCKLAR-UHFFFAOYSA-N 2 0 348.450 3.487 10 0 EGAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000651198354 462132115 /nfs/dbraw/zinc/13/21/15/462132115.db2.gz BXDLNKCDRUIKPL-UWHLTILDSA-N 2 0 327.516 3.113 10 0 EGAERP CCc1ccc2[nH+]ccc(N3CCO[C@H](CCC[NH+](C)C)C3)c2c1 ZINC000664659901 462143405 /nfs/dbraw/zinc/14/34/05/462143405.db2.gz XGPLGQBRJJOZMS-QGZVFWFLSA-N 2 0 327.472 3.344 10 0 EGAERP c1cc2c(cccc2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)[nH]1 ZINC000657535341 462170330 /nfs/dbraw/zinc/17/03/30/462170330.db2.gz KGXCLJXZDDWXGE-UHFFFAOYSA-N 2 0 327.472 3.149 10 0 EGAERP c1ccc2c(c1)OCC[C@@H]2C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535369 462170461 /nfs/dbraw/zinc/17/04/61/462170461.db2.gz MCYPJFWKJCNZDC-GOSISDBHSA-N 2 0 344.499 3.033 10 0 EGAERP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596202 462195928 /nfs/dbraw/zinc/19/59/28/462195928.db2.gz VSFBCGXPCFWPRT-MKRMIXIUSA-N 2 0 336.479 3.446 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3C3CC3)cc2)C1 ZINC000657594621 462196663 /nfs/dbraw/zinc/19/66/63/462196663.db2.gz JDJHGPUOLMHKRU-OAQYLSRUSA-N 2 0 336.479 3.420 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)C1 ZINC000657595371 462197058 /nfs/dbraw/zinc/19/70/58/462197058.db2.gz HINUXINKEWCJAD-JOCHJYFZSA-N 2 0 336.479 3.420 10 0 EGAERP Cc1cc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)c1 ZINC000657596493 462197560 /nfs/dbraw/zinc/19/75/60/462197560.db2.gz XATKFMQKTWLRKO-NRFANRHFSA-N 2 0 338.495 3.468 10 0 EGAERP COC[C@@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000648867056 462311314 /nfs/dbraw/zinc/31/13/14/462311314.db2.gz SUAFULXVZZOBPU-HXUWFJFHSA-N 2 0 346.515 3.410 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969718 462332361 /nfs/dbraw/zinc/33/23/61/462332361.db2.gz UESZZDUNHHDOHA-UHOSZYNNSA-N 2 0 338.536 3.061 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000658033732 462352587 /nfs/dbraw/zinc/35/25/87/462352587.db2.gz CKAURHTXPOBIJP-HNNXBMFYSA-N 2 0 340.458 3.283 10 0 EGAERP c1ccc2c(CC[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232892 462362205 /nfs/dbraw/zinc/36/22/05/462362205.db2.gz XGMSEDFKNYXKDA-RXVVDRJESA-N 2 0 349.434 3.216 10 0 EGAERP CO[C@H](c1ccccc1)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069238 462366339 /nfs/dbraw/zinc/36/63/39/462366339.db2.gz DRCSSWHHMIWUPH-UWJYYQICSA-N 2 0 346.515 3.243 10 0 EGAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277271 462381204 /nfs/dbraw/zinc/38/12/04/462381204.db2.gz XWUWDBWZBWHBRH-TYPHKJRUSA-N 2 0 341.543 3.409 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](CC(C)C)c2ccccc2)CC1 ZINC000665287087 462386003 /nfs/dbraw/zinc/38/60/03/462386003.db2.gz BIQJDOPWORMMTN-FQEVSTJZSA-N 2 0 345.531 3.354 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000665287373 462386125 /nfs/dbraw/zinc/38/61/25/462386125.db2.gz JJEQQWTUNREVLY-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1F ZINC000658140503 462404100 /nfs/dbraw/zinc/40/41/00/462404100.db2.gz URXBNCNIEGPAIM-YOEHRIQHSA-N 2 0 346.421 3.382 10 0 EGAERP FC1(F)C[C@H]1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168635 462417092 /nfs/dbraw/zinc/41/70/92/462417092.db2.gz IPUUIELSWNNOCW-XMTFNYHQSA-N 2 0 336.426 3.196 10 0 EGAERP C[C@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000652149068 462451084 /nfs/dbraw/zinc/45/10/84/462451084.db2.gz QJFMSKICACWACT-NQIIRXRSSA-N 2 0 344.547 3.176 10 0 EGAERP CCC[N@@H+]1CC[C@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000658284877 462455139 /nfs/dbraw/zinc/45/51/39/462455139.db2.gz HJQGFFFHNVXMDG-RXVVDRJESA-N 2 0 329.532 3.156 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000167222418 546991392 /nfs/dbraw/zinc/99/13/92/546991392.db2.gz SGPXTJNUVILWEP-ZWKOTPCHSA-N 2 0 346.515 3.230 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871236 548995150 /nfs/dbraw/zinc/99/51/50/548995150.db2.gz CGNNWRWZXKQJPM-GDBMZVCRSA-N 2 0 333.545 3.056 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CCO)CC(C)(C)C)CC1 ZINC000678241566 549439817 /nfs/dbraw/zinc/43/98/17/549439817.db2.gz YFCDWHRZMMEDHZ-UHFFFAOYSA-N 2 0 347.547 3.059 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000681976529 550056737 /nfs/dbraw/zinc/05/67/37/550056737.db2.gz XMJSASCVDPEZQK-AABGKKOBSA-N 2 0 327.516 3.081 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@](C)(O)C2CCCCC2)cc1 ZINC000682951129 550168136 /nfs/dbraw/zinc/16/81/36/550168136.db2.gz YZPKSFFIOJYKKC-FQEVSTJZSA-N 2 0 334.504 3.048 10 0 EGAERP C[C@@](O)(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000730080728 574921383 /nfs/dbraw/zinc/92/13/83/574921383.db2.gz IOFLVOQJHWALRC-PZJWPPBQSA-N 2 0 330.516 3.482 10 0 EGAERP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897212 574981142 /nfs/dbraw/zinc/98/11/42/574981142.db2.gz LYSAQKNVCAZMLX-IRXDYDNUSA-N 2 0 339.524 3.098 10 0 EGAERP COCc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)o1 ZINC000382489162 576253565 /nfs/dbraw/zinc/25/35/65/576253565.db2.gz MJPOZJWEHKXZIS-DZFGPLHGSA-N 2 0 340.467 3.426 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091317637 1292833310 /nfs/dbraw/zinc/83/33/10/1292833310.db2.gz WHSMGCHXZYDBMY-FQEVSTJZSA-N 2 0 332.488 3.237 10 0 EGAERP CCCN(CC[NH2+]C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000227877281 1296151415 /nfs/dbraw/zinc/15/14/15/1296151415.db2.gz OJBQEJSFTMXMFC-UHFFFAOYSA-N 2 0 327.513 3.096 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000870992462 1296169958 /nfs/dbraw/zinc/16/99/58/1296169958.db2.gz LESQGFNRCGRKTP-OAQYLSRUSA-N 2 0 343.515 3.120 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872032536 1296681836 /nfs/dbraw/zinc/68/18/36/1296681836.db2.gz VXYGVRMECRZNGJ-HKBOAZHASA-N 2 0 330.516 3.346 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000872083799 1296724472 /nfs/dbraw/zinc/72/44/72/1296724472.db2.gz AAYHHRBZLOEVLE-FQEVSTJZSA-N 2 0 343.515 3.375 10 0 EGAERP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000872131872 1296754782 /nfs/dbraw/zinc/75/47/82/1296754782.db2.gz AQLZQOAEVCRRLA-HOCLYGCPSA-N 2 0 328.460 3.137 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc(F)cc2Cl)CC1 ZINC000872228807 1296831112 /nfs/dbraw/zinc/83/11/12/1296831112.db2.gz KUIMZABWPMCGBE-BLDCVEFLSA-N 2 0 328.859 3.365 10 0 EGAERP CN(C[C@@H]1Cc2ccccc2C[NH2+]1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000311878193 1297112070 /nfs/dbraw/zinc/11/20/70/1297112070.db2.gz XXQPQSBBCZCAES-QFIPXVFZSA-N 2 0 349.522 3.297 10 0 EGAERP C[C@@H]1C[C@H](N2CC[NH2+]C[C@H]2c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000313385016 1297122262 /nfs/dbraw/zinc/12/22/62/1297122262.db2.gz RLEYOJAVKXHONW-COPCDDAFSA-N 2 0 335.495 3.296 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400701584 1297731658 /nfs/dbraw/zinc/73/16/58/1297731658.db2.gz BXUKZHOALRJGGP-OLZOCXBDSA-N 2 0 325.294 3.358 10 0 EGAERP C[C@@H]1C[C@@H](N2Cc3ccccc3C[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000721641930 1298333709 /nfs/dbraw/zinc/33/37/09/1298333709.db2.gz PDIKGUOEDJVTHO-VOQZNFBZSA-N 2 0 335.495 3.035 10 0 EGAERP CN(C[C@@H]1CCCC[N@@H+]1Cc1ccccc1)C(=O)CCCC[NH+](C)C ZINC000881986435 1301773607 /nfs/dbraw/zinc/77/36/07/1301773607.db2.gz CNGCJVYJJJHJIW-FQEVSTJZSA-N 2 0 345.531 3.231 10 0 EGAERP COC(=O)[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886495395 1303476685 /nfs/dbraw/zinc/47/66/85/1303476685.db2.gz WDZLVBFKTOVYSW-RTBURBONSA-N 2 0 330.472 3.104 10 0 EGAERP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H](O)C(C)C ZINC000886627322 1303531135 /nfs/dbraw/zinc/53/11/35/1303531135.db2.gz YYWYYLHOBRENFK-SXYSDOLCSA-N 2 0 330.516 3.425 10 0 EGAERP COC(=O)c1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)[nH]c1C(C)C ZINC000894383612 1306369303 /nfs/dbraw/zinc/36/93/03/1306369303.db2.gz GMAPMPZSIRMKPF-UHFFFAOYSA-N 2 0 343.471 3.276 10 0 EGAERP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c2c(c1)CCCN2 ZINC000895226998 1309247810 /nfs/dbraw/zinc/24/78/10/1309247810.db2.gz SLBVCSHIEIJRAF-UHFFFAOYSA-N 2 0 343.515 3.025 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC3=CCCOC3)cc2)C[C@H](C)O1 ZINC000895739596 1309498260 /nfs/dbraw/zinc/49/82/60/1309498260.db2.gz CYRTZRXHEHEFSD-HDICACEKSA-N 2 0 344.499 3.074 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](C[C@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929275725 1328554919 /nfs/dbraw/zinc/55/49/19/1328554919.db2.gz LPGPRKXNSDVLOP-INIZCTEOSA-N 2 0 332.488 3.265 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029606 1328664400 /nfs/dbraw/zinc/66/44/00/1328664400.db2.gz ZFZRNLXZPTVGIY-OALUTQOASA-N 2 0 329.488 3.287 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC)([NH+]3CCC3)CC2)o1 ZINC000899562790 1317091802 /nfs/dbraw/zinc/09/18/02/1317091802.db2.gz GMZNFUPAXBCQQB-UHFFFAOYSA-N 2 0 347.503 3.212 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+][C@@H]2CCCC[C@H]2NC(=O)OC(C)(C)C)CC1(C)C ZINC000858182906 1328706040 /nfs/dbraw/zinc/70/60/40/1328706040.db2.gz LYJGMDWHEWCZSP-BZUAXINKSA-N 2 0 339.524 3.285 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1)C(C)C ZINC000913399205 1319027161 /nfs/dbraw/zinc/02/71/61/1319027161.db2.gz WHZLQWLAJDPUSH-UHFFFAOYSA-N 2 0 345.531 3.473 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2nc(C(C)(C)C)co2)cc1 ZINC000921695745 1322380046 /nfs/dbraw/zinc/38/00/46/1322380046.db2.gz WAMFJTGMVUSJSN-UHFFFAOYSA-N 2 0 345.487 3.245 10 0 EGAERP CSCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3O)CC2)cc1 ZINC000921858262 1322413534 /nfs/dbraw/zinc/41/35/34/1322413534.db2.gz CJWPIMFTGRJMIZ-VQTJNVASSA-N 2 0 348.556 3.407 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn(CCF)c2)C[N@@H+]1Cc1ccccc1 ZINC000921927234 1322424284 /nfs/dbraw/zinc/42/42/84/1322424284.db2.gz GBOZJHQSMCNVTM-MJGOQNOKSA-N 2 0 344.478 3.243 10 0 EGAERP CCc1nc2ccccc2n1C1CC[NH+](CCC[NH2+]C2CC2)CC1 ZINC000923372292 1322741912 /nfs/dbraw/zinc/74/19/12/1322741912.db2.gz ZGSQWLCSAXNFOF-UHFFFAOYSA-N 2 0 326.488 3.378 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)cc1F ZINC000923378719 1322742849 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EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000924963585 1323230691 /nfs/dbraw/zinc/23/06/91/1323230691.db2.gz LEVZGENNPOISCD-IBGZPJMESA-N 2 0 332.488 3.160 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000925241890 1325092846 /nfs/dbraw/zinc/09/28/46/1325092846.db2.gz TXEOFVCSZLSOGM-XJKSGUPXSA-N 2 0 325.884 3.059 10 0 EGAERP CC[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cccc(OC)n1 ZINC000925439062 1325150211 /nfs/dbraw/zinc/15/02/11/1325150211.db2.gz HSZCADMPRIBLIW-ZACQAIPSSA-N 2 0 335.492 3.020 10 0 EGAERP Cc1cccc2oc(CC[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)nc21 ZINC000925525325 1325190972 /nfs/dbraw/zinc/19/09/72/1325190972.db2.gz BRLVHEYKUYGMKZ-IRXDYDNUSA-N 2 0 327.472 3.437 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000925531486 1325194327 /nfs/dbraw/zinc/19/43/27/1325194327.db2.gz KUCIKZWONDZEKW-IRXDYDNUSA-N 3 0 335.561 3.456 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925535227 1325195975 /nfs/dbraw/zinc/19/59/75/1325195975.db2.gz UAIIPKROCVVTLY-NVXWUHKLSA-N 2 0 331.504 3.160 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(O[C@@H]2CCOC2)c1 ZINC000925553776 1325206170 /nfs/dbraw/zinc/20/61/70/1325206170.db2.gz VQRRHHCIKGDCIW-RCCFBDPRSA-N 2 0 332.488 3.158 10 0 EGAERP Cc1ccc(C(=O)N2CCC([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925569261 1325215133 /nfs/dbraw/zinc/21/51/33/1325215133.db2.gz ZVWVTOJAAHTUPL-MJGOQNOKSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925584026 1325221150 /nfs/dbraw/zinc/22/11/50/1325221150.db2.gz OWCVXJZYJBWENB-KMUNFCNLSA-N 2 0 341.268 3.379 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1F ZINC000925619041 1325233397 /nfs/dbraw/zinc/23/33/97/1325233397.db2.gz KOCJGJOLUCBERZ-IUPKNAOTSA-N 2 0 326.431 3.272 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925621399 1325234081 /nfs/dbraw/zinc/23/40/81/1325234081.db2.gz HRGDKWSZOIYUAL-LEWJYISDSA-N 2 0 346.515 3.360 10 0 EGAERP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925625181 1325236256 /nfs/dbraw/zinc/23/62/56/1325236256.db2.gz GLWWFINAGSXLRQ-VCTAVGKDSA-N 2 0 341.268 3.379 10 0 EGAERP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)c21 ZINC000925627169 1325238710 /nfs/dbraw/zinc/23/87/10/1325238710.db2.gz AAAUQKPWMWKZPH-MSOLQXFVSA-N 2 0 341.499 3.477 10 0 EGAERP C[C@]1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000925654407 1325249347 /nfs/dbraw/zinc/24/93/47/1325249347.db2.gz LSIPWGZPQISGMU-SVFBPWRDSA-N 2 0 329.532 3.394 10 0 EGAERP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CC2 ZINC000925658093 1325251285 /nfs/dbraw/zinc/25/12/85/1325251285.db2.gz NCLYNLXJBUJZBO-QYZOEREBSA-N 2 0 330.520 3.079 10 0 EGAERP CC(C)n1ncc2c1C[C@H]([NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC2 ZINC000925658090 1325252169 /nfs/dbraw/zinc/25/21/69/1325252169.db2.gz NCLYNLXJBUJZBO-QRVBRYPASA-N 2 0 330.520 3.079 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000925661286 1325252813 /nfs/dbraw/zinc/25/28/13/1325252813.db2.gz CVKYCKVMCVIKHS-YHNBSYBMSA-N 2 0 347.469 3.287 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(Cl)c1OC ZINC000925675916 1325258566 /nfs/dbraw/zinc/25/85/66/1325258566.db2.gz HKGPICCEDGPXDQ-KBPBESRZSA-N 2 0 340.895 3.395 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676934 1325259660 /nfs/dbraw/zinc/25/96/60/1325259660.db2.gz MMZUCRMLKVGVOP-ILXRZTDVSA-N 2 0 327.394 3.009 10 0 EGAERP C[NH+](C)C[C@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925725350 1325270241 /nfs/dbraw/zinc/27/02/41/1325270241.db2.gz SIMGXKZKQYGPFZ-JKSUJKDBSA-N 2 0 341.421 3.182 10 0 EGAERP CC(C)([NH3+])CC[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000925739698 1325276823 /nfs/dbraw/zinc/27/68/23/1325276823.db2.gz DEQMVSFNEYOVGQ-ZDUSSCGKSA-N 2 0 327.266 3.380 10 0 EGAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000925775917 1325296057 /nfs/dbraw/zinc/29/60/57/1325296057.db2.gz IBUPCXRWQSECFV-NFAWXSAZSA-N 2 0 342.430 3.030 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]CCc1ccnn1-c1ccccc1)c1ccccc1 ZINC000925806243 1325308522 /nfs/dbraw/zinc/30/85/22/1325308522.db2.gz ZDSGTIPMSCWJLM-NRFANRHFSA-N 2 0 334.467 3.485 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cc(F)ccc1F ZINC000925808799 1325309760 /nfs/dbraw/zinc/30/97/60/1325309760.db2.gz MJTJMWDIFABLTP-HNNXBMFYSA-N 2 0 345.437 3.221 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c2ccccc12 ZINC000925810810 1325310912 /nfs/dbraw/zinc/31/09/12/1325310912.db2.gz GKTSDJPFUOTPPY-MOPGFXCFSA-N 2 0 325.456 3.198 10 0 EGAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N2CCCOC2=O)cc1 ZINC000925841440 1325323664 /nfs/dbraw/zinc/32/36/64/1325323664.db2.gz POKVAJUUZJUPCZ-QKYXUNIQSA-N 2 0 343.471 3.216 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000925843994 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KNYDRTOMWWXENT-KYOSRNDESA-N 2 0 333.867 3.007 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CN1Cc1ccccc1 ZINC000925887745 1325343957 /nfs/dbraw/zinc/34/39/57/1325343957.db2.gz LRUOJAHTTJDRNS-MSYGRNIXSA-N 2 0 349.522 3.298 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000925888462 1325344769 /nfs/dbraw/zinc/34/47/69/1325344769.db2.gz TZVXLDSFCRZERS-UQASEVPWSA-N 2 0 338.451 3.168 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887403 1325344777 /nfs/dbraw/zinc/34/47/77/1325344777.db2.gz CBEWNFNBDXCWHT-FDTGPBLFSA-N 2 0 349.522 3.156 10 0 EGAERP C[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc2c1OCO2 ZINC000926636173 1327646032 /nfs/dbraw/zinc/64/60/32/1327646032.db2.gz SRVPQJOLIFIBII-SUMDDJOVSA-N 2 0 338.451 3.411 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)ccn1 ZINC000926692695 1327669730 /nfs/dbraw/zinc/66/97/30/1327669730.db2.gz IWDDMSNAQZHKMT-LEWJYISDSA-N 2 0 343.515 3.088 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000926776752 1327711200 /nfs/dbraw/zinc/71/12/00/1327711200.db2.gz FSTNRIFEFUFALZ-PBASOCQRSA-N 2 0 330.516 3.405 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926831521 1327735726 /nfs/dbraw/zinc/73/57/26/1327735726.db2.gz CMXAWDLWBVVWMT-CYBMUJFWSA-N 2 0 325.412 3.446 10 0 EGAERP CCC(CC)[C@@H](C[NH2+]C1CCC(CNC(C)=O)CC1)[NH+]1CCCC1 ZINC000865410695 1329693016 /nfs/dbraw/zinc/69/30/16/1329693016.db2.gz FCWJVIWLQNLKII-LYBXBRPPSA-N 2 0 337.552 3.172 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+]C2CCC(CNC(C)=O)CC2)c1 ZINC000865417521 1329694520 /nfs/dbraw/zinc/69/45/20/1329694520.db2.gz NWPFDTOLPGPDDR-UHFFFAOYSA-N 2 0 345.531 3.313 10 0 EGAERP Cn1ncc2cc(C[NH2+]CCCCCCC[NH+]3CCCC3)cnc21 ZINC000865450550 1329699138 /nfs/dbraw/zinc/69/91/38/1329699138.db2.gz DHYFZUUPWBYLGT-UHFFFAOYSA-N 2 0 329.492 3.104 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000865764774 1329736371 /nfs/dbraw/zinc/73/63/71/1329736371.db2.gz AVNYCLLBRASVSY-UHFFFAOYSA-N 2 0 335.458 3.256 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000865765111 1329736448 /nfs/dbraw/zinc/73/64/48/1329736448.db2.gz VQQDYLFNWPQCLO-UHFFFAOYSA-N 2 0 344.272 3.336 10 0 EGAERP CC(C)[C@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865773973 1329736850 /nfs/dbraw/zinc/73/68/50/1329736850.db2.gz KVGJFCPUYLADOD-VQTJNVASSA-N 2 0 330.516 3.443 10 0 EGAERP CC[C@H]1C[C@H](C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865774391 1329736995 /nfs/dbraw/zinc/73/69/95/1329736995.db2.gz VECNHLABLBPXPZ-QUCCMNQESA-N 2 0 330.516 3.445 10 0 EGAERP Cn1cc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)c(C(F)F)n1 ZINC000865774206 1329737002 /nfs/dbraw/zinc/73/70/02/1329737002.db2.gz GPYJGPHSDJAWHP-UHFFFAOYSA-N 2 0 348.441 3.111 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000866228554 1330081145 /nfs/dbraw/zinc/08/11/45/1330081145.db2.gz LAILEIPTVGHAIM-FOIQADDNSA-N 2 0 333.495 3.065 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866233849 1330081903 /nfs/dbraw/zinc/08/19/03/1330081903.db2.gz ZBQZTXDJUFBTRJ-UTKZUKDTSA-N 2 0 337.511 3.443 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000866388140 1330105331 /nfs/dbraw/zinc/10/53/31/1330105331.db2.gz BYEGXPDSUVASJN-TZIWHRDSSA-N 2 0 339.483 3.135 10 0 EGAERP Cc1cc2ncc([C@H](C)[NH2+]C3CCC(C)([NH+](C)C)CC3)c(C)n2n1 ZINC000866516305 1330120999 /nfs/dbraw/zinc/12/09/99/1330120999.db2.gz OPGOYZJJBPLBQJ-ASFAAARLSA-N 2 0 329.492 3.260 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000866529764 1330122234 /nfs/dbraw/zinc/12/22/34/1330122234.db2.gz SDXXQSSUBONRMZ-MJGOQNOKSA-N 2 0 346.515 3.484 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000866697088 1330141937 /nfs/dbraw/zinc/14/19/37/1330141937.db2.gz FIZNEJXTGZPLQM-YLJYHZDGSA-N 2 0 332.488 3.161 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001323146971 1387302611 /nfs/dbraw/zinc/30/26/11/1387302611.db2.gz CZDWHSWTGNQWEF-CQQBRXBZSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001323227736 1387313526 /nfs/dbraw/zinc/31/35/26/1387313526.db2.gz TZSMONDOGUSPTD-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001323658304 1387418386 /nfs/dbraw/zinc/41/83/86/1387418386.db2.gz VLJWPXUPANGELW-DZJYIKFMSA-N 2 0 349.563 3.409 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323871237 1387483400 /nfs/dbraw/zinc/48/34/00/1387483400.db2.gz CFXWSNIXAUXHRZ-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1)[NH+](CC)CC ZINC001323981459 1387503155 /nfs/dbraw/zinc/50/31/55/1387503155.db2.gz MWYIZSDRVVJIJS-TVPLGVNVSA-N 2 0 337.552 3.076 10 0 EGAERP CN(C)[C@@H](C(=O)N(C)C1C[NH+](CCCC2CCC2)C1)c1ccccc1 ZINC001324031067 1387514308 /nfs/dbraw/zinc/51/43/08/1387514308.db2.gz VBQBUHHRRSYHJJ-HXUWFJFHSA-N 2 0 343.515 3.012 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001324081966 1387533986 /nfs/dbraw/zinc/53/39/86/1387533986.db2.gz QQHOLBZLNJTIND-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001324249234 1387566963 /nfs/dbraw/zinc/56/69/63/1387566963.db2.gz IASCTNKIWDREPS-PRPIBZDOSA-N 2 0 343.515 3.299 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001324317876 1387589919 /nfs/dbraw/zinc/58/99/19/1387589919.db2.gz CTVRINZKWKVHDY-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001324556318 1387672023 /nfs/dbraw/zinc/67/20/23/1387672023.db2.gz GRXOYEJRBOBLQC-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727085 1387753422 /nfs/dbraw/zinc/75/34/22/1387753422.db2.gz FGKJCFZUNUGLIR-AZUAARDMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001324803625 1387778843 /nfs/dbraw/zinc/77/88/43/1387778843.db2.gz KEUVZKSTZHKVJM-UWJYYQICSA-N 2 0 345.531 3.236 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001324944824 1387841817 /nfs/dbraw/zinc/84/18/17/1387841817.db2.gz UFCOHVXBXWZCSZ-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC001325271698 1387925853 /nfs/dbraw/zinc/92/58/53/1387925853.db2.gz DEMMWKRIJNWXFT-IRXDYDNUSA-N 2 0 348.560 3.406 10 0 EGAERP COC(=O)c1ccc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)s1 ZINC001197194951 1368762697 /nfs/dbraw/zinc/76/26/97/1368762697.db2.gz ZPRAOZFVYKVWDB-UHFFFAOYSA-N 2 0 338.517 3.335 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001325445990 1387974460 /nfs/dbraw/zinc/97/44/60/1387974460.db2.gz CMSKKZILDUHHOM-YLJYHZDGSA-N 2 0 343.515 3.155 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001325665207 1388025095 /nfs/dbraw/zinc/02/50/95/1388025095.db2.gz JRGKYLBRWLSDQW-WTGUMLROSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001325899778 1388072661 /nfs/dbraw/zinc/07/26/61/1388072661.db2.gz RAFWOLQGCWHZAZ-ZCNNSNEGSA-N 2 0 349.563 3.362 10 0 EGAERP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001326420866 1388183180 /nfs/dbraw/zinc/18/31/80/1388183180.db2.gz JYPJHRJBMIKOLB-MOPGFXCFSA-N 2 0 329.488 3.171 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001326559051 1388239515 /nfs/dbraw/zinc/23/95/15/1388239515.db2.gz RUBIQCHUFHUFIJ-CADBVGFASA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001326602709 1388255688 /nfs/dbraw/zinc/25/56/88/1388255688.db2.gz GQXPZSNNKUCFFJ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CC(=O)NCc1cccc2c1CC[NH+](CCC(C)C)C2 ZINC001326675719 1388279694 /nfs/dbraw/zinc/27/96/94/1388279694.db2.gz RJWDOZBMJTWVHN-UHFFFAOYSA-N 2 0 345.531 3.049 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001327127330 1388391918 /nfs/dbraw/zinc/39/19/18/1388391918.db2.gz VBCYLYOKJCZDBY-RZZOZFHJSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001327146144 1388404639 /nfs/dbraw/zinc/40/46/39/1388404639.db2.gz IPXGPZMYTNUCSJ-TYFAACHXSA-N 2 0 337.552 3.290 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001327148920 1388406322 /nfs/dbraw/zinc/40/63/22/1388406322.db2.gz WIYZPIZEDDGAAK-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001327225668 1388452738 /nfs/dbraw/zinc/45/27/38/1388452738.db2.gz QQHDOMPFWRMIER-WLMAVBAVSA-N 2 0 335.536 3.140 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001265736245 1377164514 /nfs/dbraw/zinc/16/45/14/1377164514.db2.gz MMRDTEPIUYIYOH-ACBHZAAOSA-N 2 0 335.536 3.068 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266144670 1377207067 /nfs/dbraw/zinc/20/70/67/1377207067.db2.gz XJDMINBKSOJHNE-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266233498 1377240264 /nfs/dbraw/zinc/24/02/64/1377240264.db2.gz LRWPQMUVBHEFBU-MJRGOJFPSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327299268 1388490652 /nfs/dbraw/zinc/49/06/52/1388490652.db2.gz LYOANKPHEVSJAH-VQTJNVASSA-N 2 0 349.563 3.245 10 0 EGAERP CC[C@@H](C)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001266606718 1377342483 /nfs/dbraw/zinc/34/24/83/1377342483.db2.gz BDPUFLKIYWAIDL-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266856139 1377396993 /nfs/dbraw/zinc/39/69/93/1377396993.db2.gz KCJXHOIXCFJHGA-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCC1 ZINC001268161542 1377489738 /nfs/dbraw/zinc/48/97/38/1377489738.db2.gz ZZQSEDRZMWUONR-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001268589944 1377513648 /nfs/dbraw/zinc/51/36/48/1377513648.db2.gz AIHPRZSZIDHURA-DVBCCOPCSA-N 2 0 345.531 3.296 10 0 EGAERP CC(C)C[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)n1ccnc1 ZINC001268951802 1377532702 /nfs/dbraw/zinc/53/27/02/1377532702.db2.gz FUYWWSNWWNEACQ-BZSNNMDCSA-N 2 0 346.519 3.192 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2C)C1)[NH+](C)C ZINC001269790322 1377571849 /nfs/dbraw/zinc/57/18/49/1377571849.db2.gz FOWWZYZWGDEJIE-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCCC3)C2)C1 ZINC001270830596 1377615014 /nfs/dbraw/zinc/61/50/14/1377615014.db2.gz SWGZVZCWQFDNNZ-FPOVZHCZSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001271542802 1377636483 /nfs/dbraw/zinc/63/64/83/1377636483.db2.gz CFHDHFXMKDJQKI-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413812 1378124380 /nfs/dbraw/zinc/12/43/80/1378124380.db2.gz ORXGEMUXQBUGAZ-FUTAKVPZSA-N 2 0 349.544 3.083 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]C[C@H](C)CC(C)C)CC1)[NH+](C)C ZINC001327488473 1388533230 /nfs/dbraw/zinc/53/32/30/1388533230.db2.gz IVUXTXJJIKFEAD-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001277053889 1378203384 /nfs/dbraw/zinc/20/33/84/1378203384.db2.gz XZYPGICGQIFSQQ-GUDVDZBRSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCCCCC1CC[NH+](CC2CC2)CC1 ZINC001281055732 1378396477 /nfs/dbraw/zinc/39/64/77/1378396477.db2.gz LRAHCDHIFYHZEM-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@]2(C)C[N@H+](CC3CCCC3)C[C@]2(C)C1 ZINC001282991766 1378699086 /nfs/dbraw/zinc/69/90/86/1378699086.db2.gz BKGVPCBGMRYMFV-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283174796 1378753122 /nfs/dbraw/zinc/75/31/22/1378753122.db2.gz ZWAOCXYTYHULCN-FUHWJXTLSA-N 2 0 337.552 3.029 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001283434386 1378926124 /nfs/dbraw/zinc/92/61/24/1378926124.db2.gz PCOKUGNWXVHMKV-MOPGFXCFSA-N 2 0 331.504 3.106 10 0 EGAERP CCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001327696438 1388586207 /nfs/dbraw/zinc/58/62/07/1388586207.db2.gz SPZFCYXIIDLHTR-CALCHBBNSA-N 2 0 343.515 3.291 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001283914153 1379264329 /nfs/dbraw/zinc/26/43/29/1379264329.db2.gz WTZQKBYCPFLWBV-XLIONFOSSA-N 2 0 345.531 3.377 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001284056940 1379408315 /nfs/dbraw/zinc/40/83/15/1379408315.db2.gz JKEUIJAGEQVUKK-VCZBEUQKSA-N 2 0 347.547 3.186 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001284071823 1379435294 /nfs/dbraw/zinc/43/52/94/1379435294.db2.gz ZYSKCSNLXUMWIK-ICNOLWKDSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001284130427 1379509890 /nfs/dbraw/zinc/50/98/90/1379509890.db2.gz WENJNFMCSBOQOM-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1c(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001327880905 1388613944 /nfs/dbraw/zinc/61/39/44/1388613944.db2.gz KYKAFQLUXREGGP-KDOFPFPSSA-N 2 0 342.487 3.129 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284196097 1379589052 /nfs/dbraw/zinc/58/90/52/1379589052.db2.gz LVJNUWBBMBZIEF-RBUKOAKNSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001284633435 1380038163 /nfs/dbraw/zinc/03/81/63/1380038163.db2.gz XOOHUOMMCQPXBG-FUHWJXTLSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001284699665 1380114721 /nfs/dbraw/zinc/11/47/21/1380114721.db2.gz KIFNZUJPWMXXDP-AEFFLSMTSA-N 2 0 339.568 3.370 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001284701736 1380116913 /nfs/dbraw/zinc/11/69/13/1380116913.db2.gz FBXDLQUOCXIYHK-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001284723215 1380144162 /nfs/dbraw/zinc/14/41/62/1380144162.db2.gz IPSCOVIRAVNKQC-BMKFOZBNSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H](F)CC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001328035600 1388650642 /nfs/dbraw/zinc/65/06/42/1388650642.db2.gz RNUDLAUSSBVXKW-MRXNPFEDSA-N 2 0 349.494 3.081 10 0 EGAERP CN(C(=O)CC1CC[NH+](C)CC1)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001284795392 1380215183 /nfs/dbraw/zinc/21/51/83/1380215183.db2.gz WCPFEJLUWUNPFI-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001328098548 1388670289 /nfs/dbraw/zinc/67/02/89/1388670289.db2.gz OGBNTWQZENBYDW-VOFKWLDRSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001328352987 1388728690 /nfs/dbraw/zinc/72/86/90/1388728690.db2.gz XSKKCJVVXXIIHQ-PKOBYXMFSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001328389233 1388735136 /nfs/dbraw/zinc/73/51/36/1388735136.db2.gz YFNQBWKEVVDBQX-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001328509832 1388768233 /nfs/dbraw/zinc/76/82/33/1388768233.db2.gz OLUBQYTZQWTKDQ-VOTSOKGWSA-N 2 0 349.563 3.389 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@@H]1C ZINC001300230502 1383654464 /nfs/dbraw/zinc/65/44/64/1383654464.db2.gz ZOBWCPKMYQSFSN-XWSJACJDSA-N 2 0 345.531 3.084 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+](C(C)C)C1)C1CCCCC1 ZINC001300338367 1383659749 /nfs/dbraw/zinc/65/97/49/1383659749.db2.gz SGOVMFNWFJWDPO-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328805704 1388871550 /nfs/dbraw/zinc/87/15/50/1388871550.db2.gz GEXWYSOMYDJSIT-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@H+](CCC1CC[NH+]([C@@H](CC(C)C)C(=O)OC)CC1)CC1CC1 ZINC001168423380 1383902272 /nfs/dbraw/zinc/90/22/72/1383902272.db2.gz ITXQVFUGJNYRLF-IBGZPJMESA-N 2 0 338.536 3.408 10 0 EGAERP CCC(CC)C[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001328859742 1388889814 /nfs/dbraw/zinc/88/98/14/1388889814.db2.gz XQQMHNKIISHRNN-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001316718102 1384536152 /nfs/dbraw/zinc/53/61/52/1384536152.db2.gz APKQDKNODDINGT-YFNPGVAHSA-N 2 0 349.563 3.288 10 0 EGAERP CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCCC1 ZINC001316720295 1384539069 /nfs/dbraw/zinc/53/90/69/1384539069.db2.gz JXHCYEHEMNZCLW-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001316725358 1384545513 /nfs/dbraw/zinc/54/55/13/1384545513.db2.gz YKGHLCFXARJWFI-KURKYZTESA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001316770715 1384569249 /nfs/dbraw/zinc/56/92/49/1384569249.db2.gz NTGCJXSQXDOGBR-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316771444 1384570045 /nfs/dbraw/zinc/57/00/45/1384570045.db2.gz FYIISCHZKUUPSN-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001316804417 1384593706 /nfs/dbraw/zinc/59/37/06/1384593706.db2.gz KGWDPUGKPLJRQC-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001316811926 1384609953 /nfs/dbraw/zinc/60/99/53/1384609953.db2.gz VOUWGXSWFLXFPB-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001316832659 1384623729 /nfs/dbraw/zinc/62/37/29/1384623729.db2.gz MEMUTTQMHSRZRW-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316879464 1384664451 /nfs/dbraw/zinc/66/44/51/1384664451.db2.gz LSMWDKKXNILXFO-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001316883242 1384667215 /nfs/dbraw/zinc/66/72/15/1384667215.db2.gz XAGTVFJMGPTVCQ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001317005285 1384766369 /nfs/dbraw/zinc/76/63/69/1384766369.db2.gz GYHHKHNRVXSSPE-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)C/C=C/Cl)C1)[NH+](CC)CC ZINC001317040757 1384813340 /nfs/dbraw/zinc/81/33/40/1384813340.db2.gz GACFFQHRESUXMT-DMFQBTPQSA-N 2 0 343.943 3.030 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH+](C)CCCC3CCC3)C2)C1 ZINC001317042950 1384816644 /nfs/dbraw/zinc/81/66/44/1384816644.db2.gz LNVUGHCUYCRVDM-UYAOXDASSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317103946 1384867471 /nfs/dbraw/zinc/86/74/71/1384867471.db2.gz HRLJPGBGBMEZIR-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001317186107 1384961243 /nfs/dbraw/zinc/96/12/43/1384961243.db2.gz HZOCHYYKJSZUKS-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001317191339 1384965248 /nfs/dbraw/zinc/96/52/48/1384965248.db2.gz DJQLUTOESGQIDC-VQTJNVASSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001329074837 1388957073 /nfs/dbraw/zinc/95/70/73/1388957073.db2.gz NRTGHDXWKACVIP-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001317217958 1384997980 /nfs/dbraw/zinc/99/79/80/1384997980.db2.gz YQJPOZJTJJHHRI-OFLPRAFFSA-N 2 0 325.541 3.170 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001317268817 1385038358 /nfs/dbraw/zinc/03/83/58/1385038358.db2.gz ACWWNZMOUFAYJE-FXAWDEMLSA-N 2 0 345.531 3.106 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001317268841 1385038439 /nfs/dbraw/zinc/03/84/39/1385038439.db2.gz ACWWNZMOUFAYJE-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001317295500 1385067615 /nfs/dbraw/zinc/06/76/15/1385067615.db2.gz ZLFGQZRSUITGMR-FXAWDEMLSA-N 2 0 345.531 3.279 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317354057 1385101555 /nfs/dbraw/zinc/10/15/55/1385101555.db2.gz BRARVXGNZLOHSN-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP Cc1cccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317356997 1385102584 /nfs/dbraw/zinc/10/25/84/1385102584.db2.gz HAYOKWCAXCENGL-UXHICEINSA-N 2 0 345.531 3.244 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317399440 1385114943 /nfs/dbraw/zinc/11/49/43/1385114943.db2.gz GEDVGWOUOKGTLM-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317505356 1385211585 /nfs/dbraw/zinc/21/15/85/1385211585.db2.gz ONBGBCNYWRTFHY-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001317509594 1385219094 /nfs/dbraw/zinc/21/90/94/1385219094.db2.gz QNQWHOCOLHZOPA-RBUKOAKNSA-N 2 0 345.531 3.287 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317513253 1385225887 /nfs/dbraw/zinc/22/58/87/1385225887.db2.gz JCXKNCQGYHSWHL-BGEOSOQGSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001317596047 1385348893 /nfs/dbraw/zinc/34/88/93/1385348893.db2.gz FVIRLNCFVKZFIK-RBUKOAKNSA-N 2 0 349.494 3.199 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(C(C)C)cc1 ZINC001317711979 1385413487 /nfs/dbraw/zinc/41/34/87/1385413487.db2.gz UYZDHPAABMBYCS-IBGZPJMESA-N 2 0 345.531 3.451 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001317763533 1385454211 /nfs/dbraw/zinc/45/42/11/1385454211.db2.gz OYEOFEASMCMSNJ-AZUAARDMSA-N 2 0 345.531 3.321 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001317764195 1385455372 /nfs/dbraw/zinc/45/53/72/1385455372.db2.gz WNCKHDNAFAOUAM-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001329144171 1388988242 /nfs/dbraw/zinc/98/82/42/1388988242.db2.gz AIWPGNHMIBXNQF-ROUUACIJSA-N 2 0 345.531 3.018 10 0 EGAERP C[NH+](CC(=O)N1CCC(C[N@H+](C)CCC(C)(C)C)CC1)C1CCC1 ZINC001317869782 1385551567 /nfs/dbraw/zinc/55/15/67/1385551567.db2.gz HGDXQUKQRUTIOB-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698611721 1406241529 /nfs/dbraw/zinc/24/15/29/1406241529.db2.gz WDZPHGIESYCDKA-YSIASYRMSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001318414465 1385680271 /nfs/dbraw/zinc/68/02/71/1385680271.db2.gz TXEKVZTUWUPONP-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCC1=CCCCC1 ZINC001318528705 1385737569 /nfs/dbraw/zinc/73/75/69/1385737569.db2.gz SNJPPXMMLUVZFO-GBESFXJTSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001318644020 1385812199 /nfs/dbraw/zinc/81/21/99/1385812199.db2.gz AREPCOZFSFBXMO-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCC3CCCCC3)CC2)C1 ZINC001318930779 1385886093 /nfs/dbraw/zinc/88/60/93/1385886093.db2.gz HGTXQOJUEBOTKK-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001319046035 1385944511 /nfs/dbraw/zinc/94/45/11/1385944511.db2.gz XSWRELJMZTVPBT-CQQBRXBZSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001319145461 1385978582 /nfs/dbraw/zinc/97/85/82/1385978582.db2.gz RGLJWGJSMMLNRR-SREVYHEPSA-N 2 0 349.563 3.389 10 0 EGAERP CC[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001319385045 1386094275 /nfs/dbraw/zinc/09/42/75/1386094275.db2.gz YXWSCVKTEXBMDN-TYPHKJRUSA-N 3 0 329.532 3.219 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001319621782 1386216428 /nfs/dbraw/zinc/21/64/28/1386216428.db2.gz ZVMKPMLNQAJDQD-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001319644369 1386228968 /nfs/dbraw/zinc/22/89/68/1386228968.db2.gz ZBCVCLPDJPQAPT-QZTJIDSGSA-N 2 0 325.541 3.026 10 0 EGAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC001319735413 1386274608 /nfs/dbraw/zinc/27/46/08/1386274608.db2.gz FHRRRRHFSQJHJK-ROUUACIJSA-N 2 0 349.544 3.012 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001319992926 1386441171 /nfs/dbraw/zinc/44/11/71/1386441171.db2.gz ASMBUXDKBCLMDU-HXUWFJFHSA-N 2 0 343.515 3.014 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001320000379 1386445658 /nfs/dbraw/zinc/44/56/58/1386445658.db2.gz VZMGWAKDXGRECW-SLFFLAALSA-N 2 0 345.531 3.258 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001320048650 1386474562 /nfs/dbraw/zinc/47/45/62/1386474562.db2.gz UAKFZLSGHRWAIK-PKOBYXMFSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H]([NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001698651080 1406300932 /nfs/dbraw/zinc/30/09/32/1406300932.db2.gz BOMJPTJHWNDHOC-FPOVZHCZSA-N 2 0 343.515 3.108 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001320168563 1386544893 /nfs/dbraw/zinc/54/48/93/1386544893.db2.gz DOBHENVASZOPST-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1c(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)ccc2c[nH+]cn21 ZINC001320839334 1386734245 /nfs/dbraw/zinc/73/42/45/1386734245.db2.gz KTBFTXJEWMYUPL-UHFFFAOYSA-N 2 0 334.423 3.491 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001698666373 1406317218 /nfs/dbraw/zinc/31/72/18/1406317218.db2.gz ZKNCYWRMDMIYLI-YLJYHZDGSA-N 2 0 335.536 3.093 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(C)C)C1 ZINC001698672914 1406322286 /nfs/dbraw/zinc/32/22/86/1406322286.db2.gz MSRXOZQPSNEMLF-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(C)c1 ZINC001321419322 1386900340 /nfs/dbraw/zinc/90/03/40/1386900340.db2.gz OUSFCJPANYAUQZ-CWHLKURSSA-N 2 0 343.515 3.192 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001321895462 1387004600 /nfs/dbraw/zinc/00/46/00/1387004600.db2.gz HDDZQCSGZGMSBB-QFBILLFUSA-N 2 0 345.531 3.063 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001321906801 1387007418 /nfs/dbraw/zinc/00/74/18/1387007418.db2.gz JEUQGCYEMKHXSC-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2C)C1 ZINC001322231601 1387113061 /nfs/dbraw/zinc/11/30/61/1387113061.db2.gz SZSFWIGAJPIMPK-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C)cc1 ZINC001322308270 1387153145 /nfs/dbraw/zinc/15/31/45/1387153145.db2.gz VTODMABOWCMTIP-QGZVFWFLSA-N 2 0 333.520 3.087 10 0 EGAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001329239954 1389030840 /nfs/dbraw/zinc/03/08/40/1389030840.db2.gz CEHXJPYNLQHELZ-DAWZGUTISA-N 2 0 337.552 3.266 10 0 EGAERP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CCC([NH2+]CCCF)CC1 ZINC001329256683 1389038161 /nfs/dbraw/zinc/03/81/61/1389038161.db2.gz JXEDJSKFQZCTJI-UHFFFAOYSA-N 2 0 349.494 3.081 10 0 EGAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001329517995 1389139938 /nfs/dbraw/zinc/13/99/38/1389139938.db2.gz VKLFOPRLNKVGHO-PKOBYXMFSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCCC1 ZINC001329742062 1389215181 /nfs/dbraw/zinc/21/51/81/1389215181.db2.gz LRYPLSXSPMTTHF-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC001329923048 1389260625 /nfs/dbraw/zinc/26/06/25/1389260625.db2.gz HOCVADUEKIJOEO-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2CC2=CCCCC2)C1 ZINC001329940605 1389268567 /nfs/dbraw/zinc/26/85/67/1389268567.db2.gz ZEDYCRODKBQELB-AZUAARDMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001330469301 1389423048 /nfs/dbraw/zinc/42/30/48/1389423048.db2.gz QQEBGGLRRXCRSC-IPMKNSEASA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001330515341 1389440981 /nfs/dbraw/zinc/44/09/81/1389440981.db2.gz WENIKSOWFATGGA-UHFFFAOYSA-N 2 0 349.563 3.367 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CC3(CC3(F)F)C2)CC1 ZINC001330767442 1389521756 /nfs/dbraw/zinc/52/17/56/1389521756.db2.gz RMIKGPBPYAWQNP-UHFFFAOYSA-N 2 0 349.469 3.496 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001331028854 1389601148 /nfs/dbraw/zinc/60/11/48/1389601148.db2.gz BIECZUMOWQTYFT-PMACEKPBSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001331030248 1389602773 /nfs/dbraw/zinc/60/27/73/1389602773.db2.gz VRCNPBWYFORVLZ-XLIONFOSSA-N 2 0 349.563 3.362 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001331068542 1389617453 /nfs/dbraw/zinc/61/74/53/1389617453.db2.gz LAZVNHVBZAQTTR-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001331212169 1389655456 /nfs/dbraw/zinc/65/54/56/1389655456.db2.gz RMPKFQUIAGLKNL-UXHICEINSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCC1 ZINC001331363778 1389718928 /nfs/dbraw/zinc/71/89/28/1389718928.db2.gz XLHQHRZOAKQKMM-PMACEKPBSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001332033622 1389953392 /nfs/dbraw/zinc/95/33/92/1389953392.db2.gz VOOUDOGLAUAXEV-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001332140724 1390004662 /nfs/dbraw/zinc/00/46/62/1390004662.db2.gz PACJTGILVAWWLU-GBESFXJTSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CCCCCC1 ZINC001332202358 1390039353 /nfs/dbraw/zinc/03/93/53/1390039353.db2.gz YHXAGWPNWSARTQ-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001332507763 1390129544 /nfs/dbraw/zinc/12/95/44/1390129544.db2.gz SWROIASRUMWKRN-JQHSSLGASA-N 2 0 349.906 3.111 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001332960778 1390225037 /nfs/dbraw/zinc/22/50/37/1390225037.db2.gz OLMUQOFQLDVYRA-IPLHWJFFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001332972284 1390226803 /nfs/dbraw/zinc/22/68/03/1390226803.db2.gz JGSYAZXTJINDLV-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC2CCCC2)CC1 ZINC001332972374 1390226875 /nfs/dbraw/zinc/22/68/75/1390226875.db2.gz KJYQNKNPIVSARX-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCn1ccnc1CCC[N@H+](C)C[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC001333483139 1390316013 /nfs/dbraw/zinc/31/60/13/1390316013.db2.gz KIUMQLCCVOMAAP-KGLIPLIRSA-N 2 0 333.398 3.267 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001488642521 1391693397 /nfs/dbraw/zinc/69/33/97/1391693397.db2.gz UAPAMXVCFCIOMN-GOSISDBHSA-N 2 0 337.552 3.218 10 0 EGAERP C[C@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)n1ccnc1 ZINC001352019258 1391745940 /nfs/dbraw/zinc/74/59/40/1391745940.db2.gz CUVKWXQRZYKNIG-MJGOQNOKSA-N 2 0 340.471 3.005 10 0 EGAERP Cc1ccnc(N)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC001353581978 1392043650 /nfs/dbraw/zinc/04/36/50/1392043650.db2.gz RBYOICGZFHGIAB-KRWDZBQOSA-N 2 0 330.520 3.449 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001698845570 1406546181 /nfs/dbraw/zinc/54/61/81/1406546181.db2.gz LEKJTCLWNXWTPL-ZWKOTPCHSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001479579472 1392280292 /nfs/dbraw/zinc/28/02/92/1392280292.db2.gz WLOSUVNHTVPYSS-GGPKGHCWSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC1CC1 ZINC001479592416 1392283656 /nfs/dbraw/zinc/28/36/56/1392283656.db2.gz BVQOFXQFKFINNJ-MISYRCLQSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001479623884 1392293063 /nfs/dbraw/zinc/29/30/63/1392293063.db2.gz IUXMRUPFNZKBLJ-WOJBJXKFSA-N 2 0 345.531 3.101 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001479636180 1392298987 /nfs/dbraw/zinc/29/89/87/1392298987.db2.gz UDBIFKYLKLOKGC-RMBMDNKWSA-N 2 0 335.536 3.042 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001479711411 1392333328 /nfs/dbraw/zinc/33/33/28/1392333328.db2.gz VDXZLUOTDRTIBT-AEFFLSMTSA-N 2 0 337.552 3.409 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001479715083 1392333729 /nfs/dbraw/zinc/33/37/29/1392333729.db2.gz ZUAORLPNSBKZMW-KSZLIROESA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H]1C)[NH+](C)C ZINC001479724110 1392338914 /nfs/dbraw/zinc/33/89/14/1392338914.db2.gz GBDHNGMLGAXNQE-NEWSRXKRSA-N 2 0 349.563 3.122 10 0 EGAERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)CC1CCC2(CC2)CC1 ZINC001479815296 1392407838 /nfs/dbraw/zinc/40/78/38/1392407838.db2.gz FWZOCYLJCYLCKK-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829800 1392416471 /nfs/dbraw/zinc/41/64/71/1392416471.db2.gz OAFAJIGRMGCGLH-MJGOQNOKSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001479865729 1392443162 /nfs/dbraw/zinc/44/31/62/1392443162.db2.gz WVXKUOCXNNDNFO-VQTJNVASSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001479989206 1392520457 /nfs/dbraw/zinc/52/04/57/1392520457.db2.gz ZYUOCEPNRIQZHQ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001480116443 1392591819 /nfs/dbraw/zinc/59/18/19/1392591819.db2.gz FFFBIQOIRBLMFG-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480122096 1392594581 /nfs/dbraw/zinc/59/45/81/1392594581.db2.gz MAJOZBQRYBOEON-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001480222732 1392626424 /nfs/dbraw/zinc/62/64/24/1392626424.db2.gz OCHOIUSFJWVNRV-OTWHNJEPSA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001480232562 1392629471 /nfs/dbraw/zinc/62/94/71/1392629471.db2.gz OUMVJVMMZGVKBO-ANJNEXJCSA-N 2 0 335.536 3.090 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001480272716 1392655882 /nfs/dbraw/zinc/65/58/82/1392655882.db2.gz YLOPOJFYKGNFLS-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480304899 1392668293 /nfs/dbraw/zinc/66/82/93/1392668293.db2.gz NLENZPDDMWKUPB-RBUKOAKNSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480318313 1392678552 /nfs/dbraw/zinc/67/85/52/1392678552.db2.gz ABGQZJMPQWQUNM-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480346826 1392698709 /nfs/dbraw/zinc/69/87/09/1392698709.db2.gz JSGDFNWEKXHOKD-ZYHOBAKYSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001480384824 1392729340 /nfs/dbraw/zinc/72/93/40/1392729340.db2.gz ATHAESMGZWEWPV-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480384973 1392729523 /nfs/dbraw/zinc/72/95/23/1392729523.db2.gz YWAZLHLEJHORIG-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001480410998 1392746468 /nfs/dbraw/zinc/74/64/68/1392746468.db2.gz DQVKWZVOVOOAKM-LMDPOFIKSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001480596466 1392812092 /nfs/dbraw/zinc/81/20/92/1392812092.db2.gz JZKCKKATXFBXTD-KRWDZBQOSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480695572 1392859629 /nfs/dbraw/zinc/85/96/29/1392859629.db2.gz OZQYGGGJVDDNDW-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001698874813 1406598391 /nfs/dbraw/zinc/59/83/91/1406598391.db2.gz WPEVGBLLIPSZPY-LPHOPBHVSA-N 2 0 343.531 3.120 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001480776435 1392926642 /nfs/dbraw/zinc/92/66/42/1392926642.db2.gz NKAIPYUFDCDCBE-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001480812842 1392950487 /nfs/dbraw/zinc/95/04/87/1392950487.db2.gz DPCXEFRPDFKVFS-HNNXBMFYSA-N 2 0 347.528 3.226 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001481348054 1393171579 /nfs/dbraw/zinc/17/15/79/1393171579.db2.gz SBJBDLJWBKLPTK-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1ccccc1 ZINC001490331854 1393175180 /nfs/dbraw/zinc/17/51/80/1393175180.db2.gz ZCOZPRJAQVIENO-QGZVFWFLSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCC1 ZINC001698885193 1406618308 /nfs/dbraw/zinc/61/83/08/1406618308.db2.gz JLQMOVLVJXRPPU-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001698896293 1406629175 /nfs/dbraw/zinc/62/91/75/1406629175.db2.gz YJUKGLKITBOTNM-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(C)c1 ZINC001698919551 1406654463 /nfs/dbraw/zinc/65/44/63/1406654463.db2.gz DZOGUVHOSOEOSC-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)Cc1c(C)cc(C)cc1C ZINC001490361798 1394199160 /nfs/dbraw/zinc/19/91/60/1394199160.db2.gz OVJCWOHNKGGKJH-UHFFFAOYSA-N 2 0 345.531 3.036 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001481373548 1394215173 /nfs/dbraw/zinc/21/51/73/1394215173.db2.gz ZDNLHRRROQMESB-HXUWFJFHSA-N 2 0 343.515 3.110 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481408931 1394266118 /nfs/dbraw/zinc/26/61/18/1394266118.db2.gz VIEZPANURKTJRJ-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481410991 1394269784 /nfs/dbraw/zinc/26/97/84/1394269784.db2.gz RZIDBJCYJNCWBU-DLBZAZTESA-N 2 0 325.541 3.076 10 0 EGAERP CCCN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C1CC[NH+](C(C)C)CC1 ZINC001490617916 1394285151 /nfs/dbraw/zinc/28/51/51/1394285151.db2.gz VHXSTIMVBMMJLZ-PKOBYXMFSA-N 2 0 335.536 3.115 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC[C@H]2CC[N@H+](CCC3CC3)C2)CCCCC1 ZINC001481441851 1394295169 /nfs/dbraw/zinc/29/51/69/1394295169.db2.gz OUHWPEMODVYDKP-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464718 1394321514 /nfs/dbraw/zinc/32/15/14/1394321514.db2.gz LPDAJQOJFFLHLG-QUCCMNQESA-N 2 0 343.515 3.062 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490770181 1394333090 /nfs/dbraw/zinc/33/30/90/1394333090.db2.gz CDVHIEGKPGZPJW-SJORKVTESA-N 2 0 349.494 3.009 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490773041 1394334351 /nfs/dbraw/zinc/33/43/51/1394334351.db2.gz WOQLWEAGJGOVGK-IAGOWNOFSA-N 2 0 349.494 3.009 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001490776175 1394340440 /nfs/dbraw/zinc/34/04/40/1394340440.db2.gz PTPQKVDSRQTHEG-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001481535544 1394392899 /nfs/dbraw/zinc/39/28/99/1394392899.db2.gz VPDXLVACMKQBRL-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001481539531 1394402901 /nfs/dbraw/zinc/40/29/01/1394402901.db2.gz VVNATXPOBRENGV-HMTUNPETSA-N 2 0 335.536 3.188 10 0 EGAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001491154676 1394453279 /nfs/dbraw/zinc/45/32/79/1394453279.db2.gz UVYDSRSCXWHFHK-ICSRJNTNSA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481704656 1394462634 /nfs/dbraw/zinc/46/26/34/1394462634.db2.gz GCZMUZZQXVAXCE-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC(C)(C)C ZINC001481860743 1394564818 /nfs/dbraw/zinc/56/48/18/1394564818.db2.gz DKTJZLWBEPOFIM-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001481981118 1394642480 /nfs/dbraw/zinc/64/24/80/1394642480.db2.gz JYHQQLRPHVUROT-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001481990490 1394651275 /nfs/dbraw/zinc/65/12/75/1394651275.db2.gz AORGGRINQZGOLA-FQEVSTJZSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001482016529 1394674016 /nfs/dbraw/zinc/67/40/16/1394674016.db2.gz HDZRJMBFNRYHSS-VAMGGRTRSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CCC(C)(C)C ZINC001482101632 1394747411 /nfs/dbraw/zinc/74/74/11/1394747411.db2.gz OEODOFHZARNYED-INIZCTEOSA-N 2 0 325.541 3.029 10 0 EGAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109193 1394751428 /nfs/dbraw/zinc/75/14/28/1394751428.db2.gz ASSLWYGMIWLWRR-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317097 1394888611 /nfs/dbraw/zinc/88/86/11/1394888611.db2.gz OHAAOAFZERSPHW-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482331940 1394901083 /nfs/dbraw/zinc/90/10/83/1394901083.db2.gz WHWASLCPCISFFQ-ADYSOMBNSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001482504242 1395057605 /nfs/dbraw/zinc/05/76/05/1395057605.db2.gz KPKGMTDUTALLOQ-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001484170190 1395309163 /nfs/dbraw/zinc/30/91/63/1395309163.db2.gz LINNHLWRRHWEAR-WIYYLYMNSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001484391406 1395361281 /nfs/dbraw/zinc/36/12/81/1395361281.db2.gz PZXTVMISRNHKOW-RSPOEFSDSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C2 ZINC001484391557 1395361696 /nfs/dbraw/zinc/36/16/96/1395361696.db2.gz UDULIAZHJIYAHV-FSGKZVOOSA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484520267 1395414783 /nfs/dbraw/zinc/41/47/83/1395414783.db2.gz FLLAUAOMBRIMHZ-SFFCAUCYSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)[NH+]1CCCCCC1 ZINC001484653923 1395463479 /nfs/dbraw/zinc/46/34/79/1395463479.db2.gz VUQUWBDIQKIMGF-KRWDZBQOSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001484828006 1395566435 /nfs/dbraw/zinc/56/64/35/1395566435.db2.gz ZLSMSSGTVXVPIZ-PZJWPPBQSA-N 2 0 349.563 3.366 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CC3=CCCCC3)C2)C1 ZINC001484830565 1395568619 /nfs/dbraw/zinc/56/86/19/1395568619.db2.gz MLIIUSMNOYTPMF-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001484895281 1395590465 /nfs/dbraw/zinc/59/04/65/1395590465.db2.gz LKYCNDHPGZSEFH-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C)c(C)c1C ZINC001484997960 1395640606 /nfs/dbraw/zinc/64/06/06/1395640606.db2.gz BOMCRNGIERHSDI-AWEZNQCLSA-N 2 0 347.547 3.165 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCCC1 ZINC001485448434 1395915269 /nfs/dbraw/zinc/91/52/69/1395915269.db2.gz RFUMDZGZPZYQIM-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001698997169 1406798005 /nfs/dbraw/zinc/79/80/05/1406798005.db2.gz SRALIPZZBFPVPB-IEBWSBKVSA-N 2 0 345.531 3.096 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001698997889 1406798790 /nfs/dbraw/zinc/79/87/90/1406798790.db2.gz CFRJUEKTJQGODH-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001485780070 1396150106 /nfs/dbraw/zinc/15/01/06/1396150106.db2.gz RFNZIDMCAGJVSO-PMACEKPBSA-N 2 0 345.531 3.497 10 0 EGAERP CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001501393352 1396193684 /nfs/dbraw/zinc/19/36/84/1396193684.db2.gz AFFKKHXTNQNTGZ-RBUKOAKNSA-N 2 0 335.536 3.116 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001503000439 1396239287 /nfs/dbraw/zinc/23/92/87/1396239287.db2.gz DLNKAUANUFAWSN-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699001362 1406812459 /nfs/dbraw/zinc/81/24/59/1406812459.db2.gz RPRJJYDZXGHZKU-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001505412091 1396295174 /nfs/dbraw/zinc/29/51/74/1396295174.db2.gz MSUGCKLYPIJJQM-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001492144342 1396308913 /nfs/dbraw/zinc/30/89/13/1396308913.db2.gz VUVWRQVTJLRCBG-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001492178093 1396312918 /nfs/dbraw/zinc/31/29/18/1396312918.db2.gz LONZHCJJKCTGAI-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CCC1CCCCCC1 ZINC001492292791 1396318032 /nfs/dbraw/zinc/31/80/32/1396318032.db2.gz KDNPVHWJYFYCTE-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](CCCC1CCCC1)CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001492303209 1396318458 /nfs/dbraw/zinc/31/84/58/1396318458.db2.gz IGYSICBJCOTSSJ-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001494876185 1396504389 /nfs/dbraw/zinc/50/43/89/1396504389.db2.gz NNBLDTFGVRIZBS-WOJBJXKFSA-N 2 0 345.531 3.258 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496359889 1396666715 /nfs/dbraw/zinc/66/67/15/1396666715.db2.gz RYYRKZUHQIYGJZ-QZTJIDSGSA-N 2 0 339.568 3.227 10 0 EGAERP O=C(N1CCCC[C@@H]1CC[NH2+]CCCC1CCC1)C12CC[NH+](CC1)C2 ZINC001496414412 1396698470 /nfs/dbraw/zinc/69/84/70/1396698470.db2.gz MKMDSZMTAWQAOG-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCC1CCCC1 ZINC001496492674 1396710066 /nfs/dbraw/zinc/71/00/66/1396710066.db2.gz XJQNVCHZCZNBHE-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497406472 1396756629 /nfs/dbraw/zinc/75/66/29/1396756629.db2.gz MOMCEBMQJIJHLN-QUCCMNQESA-N 2 0 347.547 3.389 10 0 EGAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CCC2CCCCCC2)CC1 ZINC001497714010 1396796056 /nfs/dbraw/zinc/79/60/56/1396796056.db2.gz LEIZSOIPFLPKDM-SREVYHEPSA-N 2 0 349.563 3.341 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001689089125 1396892433 /nfs/dbraw/zinc/89/24/33/1396892433.db2.gz JRQVQYIDIUXZEM-BSALYMGKSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001689120002 1396926306 /nfs/dbraw/zinc/92/63/06/1396926306.db2.gz KBRKIIAEDLPVSP-QRVBRYPASA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccsc1 ZINC001689176896 1396959998 /nfs/dbraw/zinc/95/99/98/1396959998.db2.gz OUVLOXVEELIWAI-OKZBNKHCSA-N 2 0 349.544 3.092 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001689267315 1396998634 /nfs/dbraw/zinc/99/86/34/1396998634.db2.gz HYZMFIWILUIIGP-PXPVJAHISA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001689267857 1396999394 /nfs/dbraw/zinc/99/93/94/1396999394.db2.gz SCHDQCOFKKZTIZ-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)c1 ZINC001689272014 1397009505 /nfs/dbraw/zinc/00/95/05/1397009505.db2.gz VLSSGJKXIZSBOS-IBGZPJMESA-N 2 0 349.494 3.082 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001699027168 1406864066 /nfs/dbraw/zinc/86/40/66/1406864066.db2.gz IPKIJYPUGAWPGM-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498483472 1397029168 /nfs/dbraw/zinc/02/91/68/1397029168.db2.gz DOAYSBVXCZLTIM-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699029066 1406866672 /nfs/dbraw/zinc/86/66/72/1406866672.db2.gz OETUEKUSPOPDLS-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689908368 1404200330 /nfs/dbraw/zinc/20/03/30/1404200330.db2.gz BVVLJPOUTLDJPX-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689911225 1404204154 /nfs/dbraw/zinc/20/41/54/1404204154.db2.gz CMKVAEHZPSEBLE-YSKLNCTFSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001690046585 1404281377 /nfs/dbraw/zinc/28/13/77/1404281377.db2.gz MFVUHAXULVGGSJ-DSQZMVHQSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001690213710 1404421639 /nfs/dbraw/zinc/42/16/39/1404421639.db2.gz KZDPMTXVFOKHHF-VGIQHARFSA-N 2 0 347.547 3.140 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCC(C)C)CC[C@H]21 ZINC001690317858 1404475202 /nfs/dbraw/zinc/47/52/02/1404475202.db2.gz LRMSXBYMQQJBTR-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP O=C(N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001690414240 1404546604 /nfs/dbraw/zinc/54/66/04/1404546604.db2.gz VATHBTBPWZBONO-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001690457371 1404585977 /nfs/dbraw/zinc/58/59/77/1404585977.db2.gz LLKBDCVQUMEFBE-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001690457897 1404586976 /nfs/dbraw/zinc/58/69/76/1404586976.db2.gz ULQQERXRDDFYGH-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001690650900 1404681801 /nfs/dbraw/zinc/68/18/01/1404681801.db2.gz TZQLZGUQDGJMRV-AZUAARDMSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001690650901 1404681877 /nfs/dbraw/zinc/68/18/77/1404681877.db2.gz TZQLZGUQDGJMRV-ICSRJNTNSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001690708761 1404694899 /nfs/dbraw/zinc/69/48/99/1404694899.db2.gz XBMVLYKMDFLQDC-OALUTQOASA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001690842925 1404772051 /nfs/dbraw/zinc/77/20/51/1404772051.db2.gz HOYHHNWPDJVDAT-ZWKOTPCHSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCC2=CCCCC2)C1 ZINC001690918070 1404828156 /nfs/dbraw/zinc/82/81/56/1404828156.db2.gz SZHVUONWJNZQKC-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001691061481 1404984955 /nfs/dbraw/zinc/98/49/55/1404984955.db2.gz GTCLSCVOMMMNMA-PWBPZBFBSA-N 2 0 335.536 3.138 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691170948 1405105868 /nfs/dbraw/zinc/10/58/68/1405105868.db2.gz KLCHICJPDDNWOX-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](CC1CCCC1)C1CC1 ZINC001691210917 1405151052 /nfs/dbraw/zinc/15/10/52/1405151052.db2.gz GCCPYVDHHDUBKQ-UHFFFAOYSA-N 2 0 349.544 3.194 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001691355844 1405212641 /nfs/dbraw/zinc/21/26/41/1405212641.db2.gz BKKSJDVLHQUXIG-IZBJGVDFSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394659 1405231940 /nfs/dbraw/zinc/23/19/40/1405231940.db2.gz BYOVUFZQMZYONK-OALUTQOASA-N 2 0 345.531 3.239 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001691402667 1405239959 /nfs/dbraw/zinc/23/99/59/1405239959.db2.gz PWGPSXPWFCXVEZ-QZTJIDSGSA-N 2 0 337.552 3.076 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001691477942 1405293516 /nfs/dbraw/zinc/29/35/16/1405293516.db2.gz KVTDGSYUOHLETJ-RQCLBBJPSA-N 2 0 349.563 3.432 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001691595235 1405350473 /nfs/dbraw/zinc/35/04/73/1405350473.db2.gz KZBPIOYFFCRBPC-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691613640 1405357193 /nfs/dbraw/zinc/35/71/93/1405357193.db2.gz LLPRIBDBBNBMPY-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001691628724 1405365888 /nfs/dbraw/zinc/36/58/88/1405365888.db2.gz BCIGVYOQHCFGPQ-UYAOXDASSA-N 2 0 345.531 3.450 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629908 1405368026 /nfs/dbraw/zinc/36/80/26/1405368026.db2.gz YGABYHXIIGGFAX-OALUTQOASA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001691633909 1405370977 /nfs/dbraw/zinc/37/09/77/1405370977.db2.gz LLHYWSLQBNXDPI-IPMKNSEASA-N 2 0 335.536 3.090 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001691666592 1405399918 /nfs/dbraw/zinc/39/99/18/1405399918.db2.gz ADMMVEDFVYAZMU-ZERCDLRSSA-N 2 0 337.552 3.146 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001691680994 1405415991 /nfs/dbraw/zinc/41/59/91/1405415991.db2.gz OUNCMIVFLCBWCZ-FXAWDEMLSA-N 2 0 345.531 3.282 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001691692459 1405427145 /nfs/dbraw/zinc/42/71/45/1405427145.db2.gz PGHRHFRDMKYPOE-ZWKOTPCHSA-N 2 0 339.568 3.226 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691739131 1405460890 /nfs/dbraw/zinc/46/08/90/1405460890.db2.gz WUHXVZWTVCZGPG-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001691754654 1405472646 /nfs/dbraw/zinc/47/26/46/1405472646.db2.gz YXYJRWIDTSUJAH-RTBURBONSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1)c1ccccc1 ZINC001691793357 1405503127 /nfs/dbraw/zinc/50/31/27/1405503127.db2.gz VKNAARXMMRHLMR-FXAWDEMLSA-N 2 0 339.483 3.146 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691860910 1405579231 /nfs/dbraw/zinc/57/92/31/1405579231.db2.gz NAVMGJIZYQFCAO-UYAOXDASSA-N 2 0 347.547 3.142 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001691866997 1405587935 /nfs/dbraw/zinc/58/79/35/1405587935.db2.gz KTMLTEWNAXRTTG-UYAOXDASSA-N 2 0 345.531 3.401 10 0 EGAERP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691884870 1405607582 /nfs/dbraw/zinc/60/75/82/1405607582.db2.gz YFAMSPYHJROXPQ-QRVBRYPASA-N 2 0 337.552 3.265 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)C)C2)C1 ZINC001691910953 1405636420 /nfs/dbraw/zinc/63/64/20/1405636420.db2.gz UFTLOHMKRUOJPR-IPMKNSEASA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691959688 1405676378 /nfs/dbraw/zinc/67/63/78/1405676378.db2.gz BHYIDHWRUINZCX-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692012655 1405731645 /nfs/dbraw/zinc/73/16/45/1405731645.db2.gz IEMALARPSNZEPP-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001692125793 1405786653 /nfs/dbraw/zinc/78/66/53/1405786653.db2.gz ZKZZZTKUWIVZKV-GBESFXJTSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001692205958 1405842959 /nfs/dbraw/zinc/84/29/59/1405842959.db2.gz BZQDCJWTNJSLDL-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CC2(CCC2)C1 ZINC001731804840 1427973819 /nfs/dbraw/zinc/97/38/19/1427973819.db2.gz CKMJIFPNGNMMGR-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001692232738 1405859580 /nfs/dbraw/zinc/85/95/80/1405859580.db2.gz TYRBTTJLTQTNHK-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001692236605 1405862696 /nfs/dbraw/zinc/86/26/96/1405862696.db2.gz HVXZMYUSUVGBBK-QYZOEREBSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCCCF)CC(C)(C)C1 ZINC001692279762 1405913400 /nfs/dbraw/zinc/91/34/00/1405913400.db2.gz JVKVVARYUSTDQX-KRWDZBQOSA-N 2 0 343.531 3.073 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692330034 1405948653 /nfs/dbraw/zinc/94/86/53/1405948653.db2.gz SRNOGFNUFTXLTE-DXPXIUTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001692332665 1405952062 /nfs/dbraw/zinc/95/20/62/1405952062.db2.gz BNZDJZSWJSYEOT-FQEVSTJZSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001692334615 1405954455 /nfs/dbraw/zinc/95/44/55/1405954455.db2.gz XCHNTWMJBCSHKX-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CC1 ZINC001732008993 1428221637 /nfs/dbraw/zinc/22/16/37/1428221637.db2.gz GDQPTHNIUIEVME-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732051790 1428292338 /nfs/dbraw/zinc/29/23/38/1428292338.db2.gz BDJKWYBJMHMGPR-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@H]1CC[N@H+](CCCCCF)C1 ZINC001732176078 1428422139 /nfs/dbraw/zinc/42/21/39/1428422139.db2.gz PRQMZZMKROOTBR-IBGZPJMESA-N 2 0 349.494 3.034 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187887 1428438816 /nfs/dbraw/zinc/43/88/16/1428438816.db2.gz VSUXLWCFBMAPDB-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001732228796 1428476411 /nfs/dbraw/zinc/47/64/11/1428476411.db2.gz LITJBPCRINOMOS-IBGZPJMESA-N 2 0 347.547 3.378 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001732258046 1428498471 /nfs/dbraw/zinc/49/84/71/1428498471.db2.gz BLSORWZEEQAGKJ-NQIIRXRSSA-N 2 0 349.563 3.317 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001732307647 1428522188 /nfs/dbraw/zinc/52/21/88/1428522188.db2.gz INCPXFBEQIFMTO-KNPSKYOESA-N 2 0 347.547 3.092 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001732310061 1428523862 /nfs/dbraw/zinc/52/38/62/1428523862.db2.gz LQLNAKLIRBAYCA-WDSOQIARSA-N 2 0 331.504 3.025 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001732318262 1428528822 /nfs/dbraw/zinc/52/88/22/1428528822.db2.gz KMRCUVMQRFMCFP-HXUWFJFHSA-N 2 0 345.531 3.313 10 0 EGAERP CC[C@H](C(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1)[NH+](CC)CC ZINC001732329304 1428535812 /nfs/dbraw/zinc/53/58/12/1428535812.db2.gz BHKDGANGDPMBBY-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001732399414 1428565481 /nfs/dbraw/zinc/56/54/81/1428565481.db2.gz HFTZLQVSENSLFI-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732400393 1428566404 /nfs/dbraw/zinc/56/64/04/1428566404.db2.gz RCYGEPLKSLKODY-HDICACEKSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732418950 1428573626 /nfs/dbraw/zinc/57/36/26/1428573626.db2.gz KDBIHSDBLPJJIL-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001732423113 1428575028 /nfs/dbraw/zinc/57/50/28/1428575028.db2.gz OOHRVPQUIWXZRG-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001732424047 1428575242 /nfs/dbraw/zinc/57/52/42/1428575242.db2.gz XGQREZNLUSKYRO-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001732441673 1428582457 /nfs/dbraw/zinc/58/24/57/1428582457.db2.gz BJXSTMKGXSABPT-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732522999 1428642337 /nfs/dbraw/zinc/64/23/37/1428642337.db2.gz DMFFKDATLOBDSS-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732528469 1428648626 /nfs/dbraw/zinc/64/86/26/1428648626.db2.gz JXAGAJFEQOSCOE-ICSRJNTNSA-N 2 0 349.563 3.290 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001699113113 1412515584 /nfs/dbraw/zinc/51/55/84/1412515584.db2.gz QVIFXRYYDXVVQR-HNNXBMFYSA-N 2 0 342.487 3.321 10 0 EGAERP C[C@@H](CC[NH2+]CCC1CCCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699114028 1412516478 /nfs/dbraw/zinc/51/64/78/1412516478.db2.gz YSTJWMAYHRJPSO-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699140024 1412531160 /nfs/dbraw/zinc/53/11/60/1412531160.db2.gz DUYNNKMBHKYNQL-IAGOWNOFSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699302968 1412625634 /nfs/dbraw/zinc/62/56/34/1412625634.db2.gz RFLOMLXNJACECH-QULHZPMSSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)CC1(C(=O)NC/C=C\C[NH2+]CC2CCCCC2)CCCCC1 ZINC001699319272 1412636607 /nfs/dbraw/zinc/63/66/07/1412636607.db2.gz NBIPIFDTLJJRCV-KTKRTIGZSA-N 2 0 349.563 3.341 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001699343155 1412652226 /nfs/dbraw/zinc/65/22/26/1412652226.db2.gz YNOFQXKCNSADMM-OEIHOAGASA-N 2 0 343.515 3.085 10 0 EGAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001699448315 1412784558 /nfs/dbraw/zinc/78/45/58/1412784558.db2.gz UYFXLVUHDNRZHQ-WMZOPIPTSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001699459111 1412809809 /nfs/dbraw/zinc/80/98/09/1412809809.db2.gz IGFGJKMXBMRZEV-RHSMWYFYSA-N 2 0 339.911 3.179 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001699464576 1412826737 /nfs/dbraw/zinc/82/67/37/1412826737.db2.gz SIZBVZYNIGMCFY-ICSRJNTNSA-N 2 0 345.531 3.194 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507815 1412896122 /nfs/dbraw/zinc/89/61/22/1412896122.db2.gz JMIXCGDCKODEBM-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001699610850 1412975002 /nfs/dbraw/zinc/97/50/02/1412975002.db2.gz UJTPYROLLAPIBG-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001699682238 1413076581 /nfs/dbraw/zinc/07/65/81/1413076581.db2.gz KIAIVIFUZIOEEV-ZCNNSNEGSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001699741979 1413152604 /nfs/dbraw/zinc/15/26/04/1413152604.db2.gz DOPMTYNQZCHAAT-LPHOPBHVSA-N 2 0 331.504 3.131 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001699862392 1413296975 /nfs/dbraw/zinc/29/69/75/1413296975.db2.gz TUQWVNVASUFNOB-GHOSXJJBSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001699862396 1413297055 /nfs/dbraw/zinc/29/70/55/1413297055.db2.gz TUQWVNVASUFNOB-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC(C)(C)C)C2 ZINC001699929254 1413370463 /nfs/dbraw/zinc/37/04/63/1413370463.db2.gz MDXJTNSTJZQZHC-KSZLIROESA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001732546915 1428723862 /nfs/dbraw/zinc/72/38/62/1428723862.db2.gz XFEQMRBDVWLXPP-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CCC3CC3)C2)CCCCC1 ZINC001700068945 1413484754 /nfs/dbraw/zinc/48/47/54/1413484754.db2.gz SIXIGZCTTVMSSA-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077659 1413491700 /nfs/dbraw/zinc/49/17/00/1413491700.db2.gz JVHSPCSYBCGTTG-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001700100627 1413518193 /nfs/dbraw/zinc/51/81/93/1413518193.db2.gz WRDBNIJAYWBVRE-QZTJIDSGSA-N 2 0 343.515 3.261 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001700105842 1413524580 /nfs/dbraw/zinc/52/45/80/1413524580.db2.gz MVNXVLYMFKZJAS-SFFCAUCYSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001700230222 1413689054 /nfs/dbraw/zinc/68/90/54/1413689054.db2.gz PTFSQDUMZCLION-CTNGQTDRSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]CC=C(C)C)CC2)C1 ZINC001700281576 1413726767 /nfs/dbraw/zinc/72/67/67/1413726767.db2.gz CYBPLHJYMIKNCX-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001700286302 1413733675 /nfs/dbraw/zinc/73/36/75/1413733675.db2.gz IURMTENGKSIJOG-IRXDYDNUSA-N 2 0 346.519 3.139 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001700340565 1413820073 /nfs/dbraw/zinc/82/00/73/1413820073.db2.gz AFQDHXICZYORJT-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001700346528 1413834138 /nfs/dbraw/zinc/83/41/38/1413834138.db2.gz WCZYGXLSUOSGFP-INIZCTEOSA-N 2 0 335.492 3.116 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001700352566 1413847387 /nfs/dbraw/zinc/84/73/87/1413847387.db2.gz BEJAQYOXPVMXRY-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001732567095 1428760018 /nfs/dbraw/zinc/76/00/18/1428760018.db2.gz PPNHCDJEOHMXAX-RHSMWYFYSA-N 2 0 339.911 3.083 10 0 EGAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCC1CCCC1 ZINC001700419442 1413967628 /nfs/dbraw/zinc/96/76/28/1413967628.db2.gz WMMUJNFPBXUMFW-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001700428704 1413988385 /nfs/dbraw/zinc/98/83/85/1413988385.db2.gz AFILZTCHKVPVIZ-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700437219 1414005621 /nfs/dbraw/zinc/00/56/21/1414005621.db2.gz BHVTZOPOOOLOBH-CTWPCTMYSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001700442265 1414014421 /nfs/dbraw/zinc/01/44/21/1414014421.db2.gz PLACFVBMHHSMFJ-IBGZPJMESA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001700465387 1414072024 /nfs/dbraw/zinc/07/20/24/1414072024.db2.gz DJEPNRALWBVETD-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700482610 1414122582 /nfs/dbraw/zinc/12/25/82/1414122582.db2.gz BIVIIOZYIUHEAP-MJGOQNOKSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C)[NH+]1CCCCC1 ZINC001700487137 1414134630 /nfs/dbraw/zinc/13/46/30/1414134630.db2.gz IOYXGOQZDDGFGI-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001700641305 1414307209 /nfs/dbraw/zinc/30/72/09/1414307209.db2.gz TVPCKJJTLYSPEG-KBAYOESNSA-N 2 0 346.519 3.043 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001700677738 1414332084 /nfs/dbraw/zinc/33/20/84/1414332084.db2.gz GTPGDKFHCRSYOL-QZTJIDSGSA-N 2 0 345.531 3.415 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689321 1414342193 /nfs/dbraw/zinc/34/21/93/1414342193.db2.gz KNFLPQSPYNPAIX-AZUAARDMSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700749301 1414418927 /nfs/dbraw/zinc/41/89/27/1414418927.db2.gz NPVRQAFZEHKNGA-YBGNTVOFSA-N 2 0 343.515 3.009 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CCCCCC1 ZINC001700751675 1414421278 /nfs/dbraw/zinc/42/12/78/1414421278.db2.gz INKGNKWFERIAOR-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)CCC[NH+](C)C)c1 ZINC001732590430 1428812130 /nfs/dbraw/zinc/81/21/30/1428812130.db2.gz SIRBGKCXNHRLTE-SFHVURJKSA-N 2 0 333.520 3.096 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700759328 1414431805 /nfs/dbraw/zinc/43/18/05/1414431805.db2.gz HSHHPOQAKTVFIL-QGZVFWFLSA-N 2 0 345.531 3.060 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001700862683 1414511165 /nfs/dbraw/zinc/51/11/65/1414511165.db2.gz HZKCHKNIVVPCND-IWFBPKFRSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001700926536 1414579832 /nfs/dbraw/zinc/57/98/32/1414579832.db2.gz MSCQJVBQCWLLST-KBSZCIAZSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001700975133 1414608294 /nfs/dbraw/zinc/60/82/94/1414608294.db2.gz KJQGFBCXSABIAF-OALUTQOASA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001701029952 1414691911 /nfs/dbraw/zinc/69/19/11/1414691911.db2.gz OKGCUQHTYCDIOH-SOAGJPPSSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001732604236 1428857291 /nfs/dbraw/zinc/85/72/91/1428857291.db2.gz LZFYORCOJPTREU-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001732728659 1428931938 /nfs/dbraw/zinc/93/19/38/1428931938.db2.gz KMLAPKVOIVYZFX-ZWKOTPCHSA-N 2 0 345.531 3.136 10 0 EGAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001732904035 1429038826 /nfs/dbraw/zinc/03/88/26/1429038826.db2.gz XULRUIVGBWBMIU-OMAIJTBJSA-N 2 0 337.895 3.003 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001707087226 1417194395 /nfs/dbraw/zinc/19/43/95/1417194395.db2.gz HODXVSGSZXXHBR-LEAZDLGRSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707146679 1417221967 /nfs/dbraw/zinc/22/19/67/1417221967.db2.gz VSZMPKXIUFQFSE-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCCC3CCC3)[C@H]2C1(C)C ZINC001707186255 1417235616 /nfs/dbraw/zinc/23/56/16/1417235616.db2.gz MYCWMXPXCRDZHU-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCC3)[C@@H]2C1(C)C ZINC001707187984 1417236684 /nfs/dbraw/zinc/23/66/84/1417236684.db2.gz QTEUGZSVYORFDW-SXLOBPIMSA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](C)C)C1 ZINC001707192874 1417239433 /nfs/dbraw/zinc/23/94/33/1417239433.db2.gz SOMNNJZVGLOHNI-AQNXPRMDSA-N 2 0 345.531 3.101 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001707200326 1417242321 /nfs/dbraw/zinc/24/23/21/1417242321.db2.gz JITYTFIQTMRYMK-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707237787 1417258570 /nfs/dbraw/zinc/25/85/70/1417258570.db2.gz NSKJRHRFXNOXAP-BHIYHBOVSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001707241277 1417261152 /nfs/dbraw/zinc/26/11/52/1417261152.db2.gz OSQLTLCUIBUMSL-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCn2ccnc2)CC[N@@H+]1CCCC1CCCC1 ZINC001707268785 1417275685 /nfs/dbraw/zinc/27/56/85/1417275685.db2.gz CMWITZWTVMBVNY-MJGOQNOKSA-N 2 0 346.519 3.213 10 0 EGAERP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001707403221 1417316718 /nfs/dbraw/zinc/31/67/18/1417316718.db2.gz XPZLKORYWZTWNV-KRWDZBQOSA-N 2 0 341.499 3.291 10 0 EGAERP Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C ZINC001707407212 1417319706 /nfs/dbraw/zinc/31/97/06/1417319706.db2.gz GUSGERLUYMOEBA-UHFFFAOYSA-N 2 0 347.547 3.219 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]Cc1ccccc1F ZINC001707436363 1417341153 /nfs/dbraw/zinc/34/11/53/1417341153.db2.gz OVEHUZGDDSOBTC-QFBILLFUSA-N 2 0 349.494 3.025 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001707478093 1417375622 /nfs/dbraw/zinc/37/56/22/1417375622.db2.gz MTTCXTOPWBVBGP-IBGZPJMESA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001713002430 1417556258 /nfs/dbraw/zinc/55/62/58/1417556258.db2.gz LACMZJIQVPVTAW-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001713176039 1417748751 /nfs/dbraw/zinc/74/87/51/1417748751.db2.gz XETJQKXHAAIZMZ-FHWLQOOXSA-N 2 0 349.563 3.170 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713208599 1417778684 /nfs/dbraw/zinc/77/86/84/1417778684.db2.gz RQAAUHHRUMBJFK-CMZLPQLFSA-N 2 0 335.536 3.090 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001713220523 1417802033 /nfs/dbraw/zinc/80/20/33/1417802033.db2.gz MXQPTTZNLGIGAG-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713246925 1417832700 /nfs/dbraw/zinc/83/27/00/1417832700.db2.gz UTQBDHBLEAVMDV-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001713278337 1417901407 /nfs/dbraw/zinc/90/14/07/1417901407.db2.gz SCPQGHZIUZFYBD-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733064919 1429218135 /nfs/dbraw/zinc/21/81/35/1429218135.db2.gz DBESTUUYIRTNEE-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001713364474 1417977837 /nfs/dbraw/zinc/97/78/37/1417977837.db2.gz PTNDBVMMANUJAQ-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001713373792 1417984078 /nfs/dbraw/zinc/98/40/78/1417984078.db2.gz FVHDNZVXTLXZHA-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381386 1417992163 /nfs/dbraw/zinc/99/21/63/1417992163.db2.gz IXKFHOOJSXCRQC-RTBURBONSA-N 2 0 349.494 3.013 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CC3(CCC3)C2)C1 ZINC001713399211 1418018398 /nfs/dbraw/zinc/01/83/98/1418018398.db2.gz HZGPFZZRPJOMSA-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001733100924 1429242619 /nfs/dbraw/zinc/24/26/19/1429242619.db2.gz MIEPGTCNZHGRBM-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001713519502 1418260386 /nfs/dbraw/zinc/26/03/86/1418260386.db2.gz CSXMEVSLQSPGOM-SFHVURJKSA-N 2 0 349.544 3.095 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713541754 1418304035 /nfs/dbraw/zinc/30/40/35/1418304035.db2.gz NNROVLPVSHAXIA-KPDZFXRVSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713677086 1418429281 /nfs/dbraw/zinc/42/92/81/1418429281.db2.gz KOBFCGJSUPQFMA-TUYSUELWSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001733146906 1429262276 /nfs/dbraw/zinc/26/22/76/1429262276.db2.gz SFFWAKLLFPIJER-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001713764945 1418577347 /nfs/dbraw/zinc/57/73/47/1418577347.db2.gz WDTJKDSYNWQONE-SNAWJCMRSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713771972 1418587050 /nfs/dbraw/zinc/58/70/50/1418587050.db2.gz KRJCBIORQMNZKN-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714047762 1418844071 /nfs/dbraw/zinc/84/40/71/1418844071.db2.gz HKEUYMNJGAHGRE-KPDZFXRVSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCC(C)C ZINC001714071719 1418866915 /nfs/dbraw/zinc/86/69/15/1418866915.db2.gz CDNJZYCXPRXWPF-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001714093311 1418887103 /nfs/dbraw/zinc/88/71/03/1418887103.db2.gz LREVFZQJIPJMEW-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001714152730 1418959893 /nfs/dbraw/zinc/95/98/93/1418959893.db2.gz ZNFUQKPLRXCOLL-IRXDYDNUSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H](CC[NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001714211366 1419010543 /nfs/dbraw/zinc/01/05/43/1419010543.db2.gz TYTUOIHGTGJMNX-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)CC1 ZINC001714223751 1419018275 /nfs/dbraw/zinc/01/82/75/1419018275.db2.gz AJVIUVZOOXESLT-LJQANCHMSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001714268124 1419049185 /nfs/dbraw/zinc/04/91/85/1419049185.db2.gz PURJYXHUKVVTBV-QAPCUYQASA-N 2 0 349.544 3.140 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001714268122 1419049481 /nfs/dbraw/zinc/04/94/81/1419049481.db2.gz PURJYXHUKVVTBV-CRAIPNDOSA-N 2 0 349.544 3.140 10 0 EGAERP CC1CC(C[NH2+]CCC2CCN(C(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001714291288 1419069885 /nfs/dbraw/zinc/06/98/85/1419069885.db2.gz QAMPZOSQQMNNLA-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001714307187 1419087120 /nfs/dbraw/zinc/08/71/20/1419087120.db2.gz CUSRCFGJHDTNBV-FHWLQOOXSA-N 2 0 345.531 3.333 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CC(C)C2)CC1)[NH+]1CCCC1 ZINC001714316724 1419095122 /nfs/dbraw/zinc/09/51/22/1419095122.db2.gz ACEMVFGSZWCENU-PWKSQPCKSA-N 2 0 349.563 3.170 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001714322107 1419100605 /nfs/dbraw/zinc/10/06/05/1419100605.db2.gz OADVBJPAORADQC-FQEVSTJZSA-N 2 0 345.531 3.455 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C)[NH+](CC)CC ZINC001714347435 1419116956 /nfs/dbraw/zinc/11/69/56/1419116956.db2.gz DWZBNIBHCCTSJD-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001714364581 1419124929 /nfs/dbraw/zinc/12/49/29/1419124929.db2.gz WRTREOPBIYWHEY-PMACEKPBSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CCCCCC1 ZINC001714422567 1419158185 /nfs/dbraw/zinc/15/81/85/1419158185.db2.gz IMZQPPHQSDLOHM-LNLFQRSKSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001714522492 1419248417 /nfs/dbraw/zinc/24/84/17/1419248417.db2.gz TWOMKAQWYPLKGI-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001714528445 1419255181 /nfs/dbraw/zinc/25/51/81/1419255181.db2.gz XKNRBUATYKXKTM-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001714646462 1419421590 /nfs/dbraw/zinc/42/15/90/1419421590.db2.gz KNNKIKCDYJGERJ-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001714713723 1419481267 /nfs/dbraw/zinc/48/12/67/1419481267.db2.gz BCJUEXPZTFNMMD-QGZVFWFLSA-N 2 0 335.536 3.188 10 0 EGAERP CN(CC[NH2+]CCC1CCCCCC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001714779358 1419504976 /nfs/dbraw/zinc/50/49/76/1419504976.db2.gz DFGYBGBRXIJYCT-UHFFFAOYSA-N 2 0 334.508 3.096 10 0 EGAERP CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714807734 1419519623 /nfs/dbraw/zinc/51/96/23/1419519623.db2.gz WLMDIAICVUWOBT-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714827985 1419538450 /nfs/dbraw/zinc/53/84/50/1419538450.db2.gz AJSVAJUVLGHQGK-WEVVVXLNSA-N 2 0 343.943 3.076 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001714831614 1419541890 /nfs/dbraw/zinc/54/18/90/1419541890.db2.gz SPCIAOIIQDLPTA-RTBURBONSA-N 2 0 337.552 3.290 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838327 1419550719 /nfs/dbraw/zinc/55/07/19/1419550719.db2.gz ZKNFHBLZAGKBSA-PMACEKPBSA-N 2 0 343.515 3.273 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714894228 1419633516 /nfs/dbraw/zinc/63/35/16/1419633516.db2.gz DOWJQYPVZXJWPS-AZUAARDMSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001714973917 1419708725 /nfs/dbraw/zinc/70/87/25/1419708725.db2.gz AYZOWWQAMPUUGQ-LJQANCHMSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715049450 1419790760 /nfs/dbraw/zinc/79/07/60/1419790760.db2.gz WZZZQZKROSNRCL-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001715049556 1419791157 /nfs/dbraw/zinc/79/11/57/1419791157.db2.gz YRDSFWKREDQHEL-IBGZPJMESA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C[NH2+][C@H]2CCCc3ccccc32)CCCC1 ZINC001715099341 1419839900 /nfs/dbraw/zinc/83/99/00/1419839900.db2.gz AWZNNCCWHKSABC-IBGZPJMESA-N 2 0 343.515 3.034 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCC(C)CC2)CCCC1 ZINC001715102293 1419843544 /nfs/dbraw/zinc/84/35/44/1419843544.db2.gz ILAIWDHAYRACTK-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001715176560 1419912429 /nfs/dbraw/zinc/91/24/29/1419912429.db2.gz BORRBPLBZIVCSD-QCUQMOABSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001715189392 1419921280 /nfs/dbraw/zinc/92/12/80/1419921280.db2.gz FGPPVORNRHUIJB-WGSAOQKQSA-N 2 0 335.536 3.236 10 0 EGAERP CCC[NH+]1CCC(CCNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001715201260 1419934293 /nfs/dbraw/zinc/93/42/93/1419934293.db2.gz BJKKLDAGIXFTCW-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001715238553 1419968823 /nfs/dbraw/zinc/96/88/23/1419968823.db2.gz ZWROPAAQMGTYTM-SGSXCFNPSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001715339077 1420042394 /nfs/dbraw/zinc/04/23/94/1420042394.db2.gz MCVUWUVHOFYQGC-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H](C)Cc1c[nH]cn1)C1CCCCC1 ZINC001715400694 1420099192 /nfs/dbraw/zinc/09/91/92/1420099192.db2.gz CNDVFBPCWJVWFA-VQIMIIECSA-N 2 0 346.519 3.209 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001715489792 1420171225 /nfs/dbraw/zinc/17/12/25/1420171225.db2.gz HPAGZVKOILLHLB-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001715535641 1420230159 /nfs/dbraw/zinc/23/01/59/1420230159.db2.gz DIDBNDLQOFMEPN-VQTJNVASSA-N 2 0 345.531 3.006 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001715558542 1420251981 /nfs/dbraw/zinc/25/19/81/1420251981.db2.gz KLDJHDKKMRZPRP-IRXDYDNUSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001715568062 1420257213 /nfs/dbraw/zinc/25/72/13/1420257213.db2.gz UWIWCBDOSMZXRR-OALUTQOASA-N 2 0 337.552 3.173 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715618221 1420266813 /nfs/dbraw/zinc/26/68/13/1420266813.db2.gz BLONNLWJIURNAU-MOPGFXCFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715622094 1420268737 /nfs/dbraw/zinc/26/87/37/1420268737.db2.gz PMZFZAPCDBKZPP-LJQANCHMSA-N 2 0 349.563 3.029 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001715766266 1420332236 /nfs/dbraw/zinc/33/22/36/1420332236.db2.gz DSOPSXCULDRFJD-WOJBJXKFSA-N 2 0 345.531 3.054 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715767073 1420333150 /nfs/dbraw/zinc/33/31/50/1420333150.db2.gz LEIBIFVQWFDTLC-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP CC[C@@H]([NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715845448 1420365874 /nfs/dbraw/zinc/36/58/74/1420365874.db2.gz URJFAKNOXCRXIK-LIXSYLKWSA-N 2 0 341.499 3.028 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCC1=CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001715881487 1420381479 /nfs/dbraw/zinc/38/14/79/1420381479.db2.gz BMNZCRANJXUFRN-UNQUKWGNSA-N 2 0 345.531 3.156 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001715954214 1420420206 /nfs/dbraw/zinc/42/02/06/1420420206.db2.gz ROCUAJWHDJAGET-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001716019543 1420474094 /nfs/dbraw/zinc/47/40/94/1420474094.db2.gz DMUPDWLHAPLAGX-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001716022709 1420477854 /nfs/dbraw/zinc/47/78/54/1420477854.db2.gz FLMWVSYNXQFZIR-HNNXBMFYSA-N 2 0 339.911 3.131 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)cc1C ZINC001716023231 1420478610 /nfs/dbraw/zinc/47/86/10/1420478610.db2.gz IVJVOYKIMMCKJP-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716174369 1420551622 /nfs/dbraw/zinc/55/16/22/1420551622.db2.gz QNGADFCATZBOLG-IAGOWNOFSA-N 2 0 337.552 3.029 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716336579 1420608832 /nfs/dbraw/zinc/60/88/32/1420608832.db2.gz IPNNNEWAGMGQIX-YJJPMGAVSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716403112 1420636518 /nfs/dbraw/zinc/63/65/18/1420636518.db2.gz GKUOWSXTAGDIEE-QGZVFWFLSA-N 2 0 335.536 3.070 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001716439414 1420659893 /nfs/dbraw/zinc/65/98/93/1420659893.db2.gz MVJGMJOCTWRBGO-FXAWDEMLSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC001716509127 1420741401 /nfs/dbraw/zinc/74/14/01/1420741401.db2.gz WROFWPWFNDMVKT-KRWDZBQOSA-N 2 0 341.499 3.117 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001716642394 1420797988 /nfs/dbraw/zinc/79/79/88/1420797988.db2.gz LHNVPKBVAGWODT-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@@H](C)c3ccccc3C)CC2)CC[N@@H+]1C ZINC001716682245 1420836534 /nfs/dbraw/zinc/83/65/34/1420836534.db2.gz LFGKFNCIOOHDQD-YTQUADARSA-N 2 0 343.515 3.025 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001716711487 1420864117 /nfs/dbraw/zinc/86/41/17/1420864117.db2.gz XAJIYXGLDNCCSG-QYZOEREBSA-N 2 0 335.536 3.116 10 0 EGAERP CCCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001716713790 1420867792 /nfs/dbraw/zinc/86/77/92/1420867792.db2.gz XMSBIZZMAYWYFV-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001716768011 1420913283 /nfs/dbraw/zinc/91/32/83/1420913283.db2.gz SQPROHMCUXPSFL-FXAWDEMLSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001716780514 1420918852 /nfs/dbraw/zinc/91/88/52/1420918852.db2.gz STNNTENHWHHRNG-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716846988 1420975483 /nfs/dbraw/zinc/97/54/83/1420975483.db2.gz YFWCXSVASQNQJF-HXUWFJFHSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@]2(C)CC[NH+](CCCC(C)C)C2)C1 ZINC001716848049 1420976425 /nfs/dbraw/zinc/97/64/25/1420976425.db2.gz WKOXEQLGFYBWQP-AZUAARDMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716864102 1420993473 /nfs/dbraw/zinc/99/34/73/1420993473.db2.gz AFPXWZLXRQDJCC-TZIWHRDSSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896847 1421024230 /nfs/dbraw/zinc/02/42/30/1421024230.db2.gz XJGPJAJFYHSPED-PZJWPPBQSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCC3CC3)C2)C1 ZINC001716897841 1421026327 /nfs/dbraw/zinc/02/63/27/1421026327.db2.gz KFWZBALDTWBYPI-PZJWPPBQSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716899728 1421030019 /nfs/dbraw/zinc/03/00/19/1421030019.db2.gz QFVPASBKUKYYHP-NQIIRXRSSA-N 2 0 345.531 3.226 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716972338 1421057632 /nfs/dbraw/zinc/05/76/32/1421057632.db2.gz ZOCPUSDDIGAKDR-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001716986789 1421062054 /nfs/dbraw/zinc/06/20/54/1421062054.db2.gz XPOXILROXHYXMH-FUHWJXTLSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001717004301 1421073234 /nfs/dbraw/zinc/07/32/34/1421073234.db2.gz GGAJCUDCYCCJGK-KZNAEPCWSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717036875 1421090898 /nfs/dbraw/zinc/09/08/98/1421090898.db2.gz HEMVJZYMGHSVMN-ZWKOTPCHSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC=C(C)C)cc1)[NH+](C)C ZINC001717114595 1421118663 /nfs/dbraw/zinc/11/86/63/1421118663.db2.gz CPJXWAYHTAIGBF-APWZRJJASA-N 2 0 331.504 3.260 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCC1)CC(C)(C)C ZINC001717157538 1421146928 /nfs/dbraw/zinc/14/69/28/1421146928.db2.gz PCOYJQOXMVVHPU-KURKYZTESA-N 2 0 349.563 3.029 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717237206 1421205227 /nfs/dbraw/zinc/20/52/27/1421205227.db2.gz AQGAOIYVFRFNPJ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001717303298 1421244886 /nfs/dbraw/zinc/24/48/86/1421244886.db2.gz KMESJQCIUYPOAW-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)CC1(C)C ZINC001717313032 1421258093 /nfs/dbraw/zinc/25/80/93/1421258093.db2.gz IXEMNCOBRUUDGV-LJQANCHMSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001717377002 1421319636 /nfs/dbraw/zinc/31/96/36/1421319636.db2.gz CUWANSVSCXXYPA-VQTJNVASSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001717527718 1421463411 /nfs/dbraw/zinc/46/34/11/1421463411.db2.gz YVCIMOWWDTUBDY-DSQZMVHQSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCCC1 ZINC001717538214 1421476512 /nfs/dbraw/zinc/47/65/12/1421476512.db2.gz GGILLENEAFTEIS-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCc1cncn1C ZINC001717540726 1421481004 /nfs/dbraw/zinc/48/10/04/1421481004.db2.gz RGOKIGGMIPYLKU-LJQANCHMSA-N 2 0 348.535 3.150 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717640656 1421545903 /nfs/dbraw/zinc/54/59/03/1421545903.db2.gz GGFCXEMABUCEHY-OKYOBFRVSA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001717642114 1421546710 /nfs/dbraw/zinc/54/67/10/1421546710.db2.gz JOOPSYFUINGHSF-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730259 1421596433 /nfs/dbraw/zinc/59/64/33/1421596433.db2.gz SVGQDGGTNCQFLB-PMACEKPBSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001717735396 1421599926 /nfs/dbraw/zinc/59/99/26/1421599926.db2.gz VRRIAYFGLLIRQO-VDGAXYAQSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001717806299 1421632012 /nfs/dbraw/zinc/63/20/12/1421632012.db2.gz UOXFBIZBGFZXCJ-QUCCMNQESA-N 2 0 343.515 3.032 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001717830472 1421643098 /nfs/dbraw/zinc/64/30/98/1421643098.db2.gz SXRQMPGYYRDKSV-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001717837377 1421650718 /nfs/dbraw/zinc/65/07/18/1421650718.db2.gz NEJOJQXADDPYKS-FPOVZHCZSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001717904297 1421700295 /nfs/dbraw/zinc/70/02/95/1421700295.db2.gz IGKZPHMMDYNBHS-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001717960009 1421731949 /nfs/dbraw/zinc/73/19/49/1421731949.db2.gz UNISSUBSWOCQHU-IRXDYDNUSA-N 2 0 325.541 3.170 10 0 EGAERP CCCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001717962662 1421733918 /nfs/dbraw/zinc/73/39/18/1421733918.db2.gz KFQCNRJHMDHKCZ-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C)c1 ZINC001717963121 1421734425 /nfs/dbraw/zinc/73/44/25/1421734425.db2.gz OZDSEGILHKMCSG-MOPGFXCFSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001717979053 1421750170 /nfs/dbraw/zinc/75/01/70/1421750170.db2.gz UKTOPHWYRPAQIJ-MRXNPFEDSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001717980860 1421752738 /nfs/dbraw/zinc/75/27/38/1421752738.db2.gz OEPMTCKDEPLTFK-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001717985328 1421758130 /nfs/dbraw/zinc/75/81/30/1421758130.db2.gz FYNITZWCEYBBQB-ZERCDLRSSA-N 2 0 337.552 3.146 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001717986023 1421758516 /nfs/dbraw/zinc/75/85/16/1421758516.db2.gz YTXZWQYKWXIFFF-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001717994749 1421763171 /nfs/dbraw/zinc/76/31/71/1421763171.db2.gz RHKXSWULVATHRE-JLAWEPINSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001733328599 1429514139 /nfs/dbraw/zinc/51/41/39/1429514139.db2.gz NPNZYOCUXRFGPS-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001733336187 1429521005 /nfs/dbraw/zinc/52/10/05/1429521005.db2.gz RKNQRXPNKXQNCY-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001733354137 1429534477 /nfs/dbraw/zinc/53/44/77/1429534477.db2.gz ZPYVSFSJTVKWBQ-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733438925 1429646700 /nfs/dbraw/zinc/64/67/00/1429646700.db2.gz YDQQUYIUAOTKCS-ICSRJNTNSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001733463612 1429693107 /nfs/dbraw/zinc/69/31/07/1429693107.db2.gz BVFJHTCLYBWKDR-XLIONFOSSA-N 2 0 348.535 3.243 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001722916785 1424253159 /nfs/dbraw/zinc/25/31/59/1424253159.db2.gz YGJAZGUHJMZSPZ-ZWKOTPCHSA-N 2 0 345.531 3.403 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001722916783 1424254219 /nfs/dbraw/zinc/25/42/19/1424254219.db2.gz YGJAZGUHJMZSPZ-ROUUACIJSA-N 2 0 345.531 3.403 10 0 EGAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001723021660 1424288857 /nfs/dbraw/zinc/28/88/57/1424288857.db2.gz CYMWUJCTUBRSAH-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001723043087 1424291993 /nfs/dbraw/zinc/29/19/93/1424291993.db2.gz AITOWDJVYGTWMG-RTBURBONSA-N 2 0 345.531 3.369 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CC2)CC1 ZINC001723332894 1424356061 /nfs/dbraw/zinc/35/60/61/1424356061.db2.gz BKTYGPBWKZPKQN-HXUWFJFHSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCCCC1 ZINC001723461773 1424420272 /nfs/dbraw/zinc/42/02/72/1424420272.db2.gz PNWTYTRJOHOQPN-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001723594544 1424480675 /nfs/dbraw/zinc/48/06/75/1424480675.db2.gz GCOXGUWAROFEJO-PKOBYXMFSA-N 2 0 343.515 3.169 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001723624582 1424496223 /nfs/dbraw/zinc/49/62/23/1424496223.db2.gz DSEMEMYZHZZCOF-YQQQUEKLSA-N 2 0 337.552 3.409 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001723631825 1424499233 /nfs/dbraw/zinc/49/92/33/1424499233.db2.gz JWSVZUASCVPAED-YMHTTXFNSA-N 2 0 349.563 3.386 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)CC ZINC001723634750 1424501806 /nfs/dbraw/zinc/50/18/06/1424501806.db2.gz QIFCHRUNBDSLME-ZSQQTYLHSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001723906083 1424602066 /nfs/dbraw/zinc/60/20/66/1424602066.db2.gz JRVVDMYWXRXELF-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001723920726 1424604478 /nfs/dbraw/zinc/60/44/78/1424604478.db2.gz NCFKKEXMGABGBW-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC001724342915 1424840494 /nfs/dbraw/zinc/84/04/94/1424840494.db2.gz FMNVBMPTPPXPES-QUCCMNQESA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001724555064 1424910523 /nfs/dbraw/zinc/91/05/23/1424910523.db2.gz PTTLNXBGULFOKG-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724734170 1425087718 /nfs/dbraw/zinc/08/77/18/1425087718.db2.gz NSNRFODSQMEVIB-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001724751232 1425121091 /nfs/dbraw/zinc/12/10/91/1425121091.db2.gz GLCKALPROMWWOY-SAABIXHNSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001724759518 1425130553 /nfs/dbraw/zinc/13/05/53/1425130553.db2.gz JRNFFINQTLZZOI-AATRIKPKSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001724857915 1425235170 /nfs/dbraw/zinc/23/51/70/1425235170.db2.gz OZQJRGSAAKGCHY-IRXDYDNUSA-N 2 0 349.494 3.009 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724954716 1425340280 /nfs/dbraw/zinc/34/02/80/1425340280.db2.gz VQRONRSTFVEOND-UHFFFAOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]CCCC(C)C)CC2)CC[N@@H+]1C ZINC001724954822 1425340309 /nfs/dbraw/zinc/34/03/09/1425340309.db2.gz CUGRXHMFDUMZHE-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001724991749 1425394577 /nfs/dbraw/zinc/39/45/77/1425394577.db2.gz MBGMALNSNPDJDE-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCCC2CCC2)CC[N@@H+]1C ZINC001725038868 1425461785 /nfs/dbraw/zinc/46/17/85/1425461785.db2.gz AFYUOJGNYJEQDL-SLFFLAALSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)c1cnc[nH]1 ZINC001725051950 1425485601 /nfs/dbraw/zinc/48/56/01/1425485601.db2.gz FBNONWPSOUGIOF-MRXNPFEDSA-N 2 0 334.508 3.046 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001725089563 1425530735 /nfs/dbraw/zinc/53/07/35/1425530735.db2.gz LCBLBYOTZXOEMD-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725092526 1425534716 /nfs/dbraw/zinc/53/47/16/1425534716.db2.gz DAJWWYFSERZCAX-HUUCEWRRSA-N 2 0 330.476 3.319 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001725136785 1425611540 /nfs/dbraw/zinc/61/15/40/1425611540.db2.gz MBLXBQDFBQAEBW-UHFFFAOYSA-N 2 0 325.541 3.122 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCCC(C)(C)C)C(=O)C1CC[NH+](C)CC1 ZINC001725145223 1425626483 /nfs/dbraw/zinc/62/64/83/1425626483.db2.gz JETUAEPUMAPUKZ-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001725178297 1425698517 /nfs/dbraw/zinc/69/85/17/1425698517.db2.gz RFAPNJLGKNWADO-VQIMIIECSA-N 2 0 347.547 3.261 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001725182335 1425708855 /nfs/dbraw/zinc/70/88/55/1425708855.db2.gz ZJOXYUCIVWFITK-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001725241977 1425848720 /nfs/dbraw/zinc/84/87/20/1425848720.db2.gz RIVQELLULZZRAP-GOSISDBHSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001725292537 1425938735 /nfs/dbraw/zinc/93/87/35/1425938735.db2.gz IKYVLJNORAKKEB-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001725424466 1426082320 /nfs/dbraw/zinc/08/23/20/1426082320.db2.gz JTKAOVMZADUDRM-YKMDAGRBSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001725491250 1426168427 /nfs/dbraw/zinc/16/84/27/1426168427.db2.gz UFUQOFHUNQLIJY-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001725623347 1426288973 /nfs/dbraw/zinc/28/89/73/1426288973.db2.gz HKDWYURBTQGDRD-RDSHDKLTSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c1 ZINC001725623873 1426290565 /nfs/dbraw/zinc/29/05/65/1426290565.db2.gz JJMPVRWSJACMGV-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001725624354 1426290838 /nfs/dbraw/zinc/29/08/38/1426290838.db2.gz INLFJMFIVMDLCR-QUCCMNQESA-N 2 0 335.536 3.166 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725656178 1426339458 /nfs/dbraw/zinc/33/94/58/1426339458.db2.gz SUHYLMJEVBEXFN-OSFIAYCASA-N 2 0 335.536 3.092 10 0 EGAERP Cc1cccc(C[NH+]2CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001725761842 1426442551 /nfs/dbraw/zinc/44/25/51/1426442551.db2.gz HXQSMVZUMKVVCH-GOSISDBHSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001725764308 1426446687 /nfs/dbraw/zinc/44/66/87/1426446687.db2.gz SZSDCHCEUIQYQQ-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N(C)C1CC([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001725787876 1426473567 /nfs/dbraw/zinc/47/35/67/1426473567.db2.gz UXQYPFXFZBPWQA-SOAGJPPSSA-N 2 0 343.515 3.225 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@H](C)c2ccccc2F)CC[N@@H+]1C ZINC001731241269 1427197501 /nfs/dbraw/zinc/19/75/01/1427197501.db2.gz HJQYRMFTSWEGSH-HHXXYDBFSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@H](C)c2cccc(C)c2)CC[N@@H+]1C ZINC001731242708 1427199038 /nfs/dbraw/zinc/19/90/38/1427199038.db2.gz UFHVEEUHUNBAGY-YZGWKJHDSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)cs1 ZINC001731248023 1427201352 /nfs/dbraw/zinc/20/13/52/1427201352.db2.gz IPRYMYRZOKWFSY-ROUUACIJSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001731286099 1427229323 /nfs/dbraw/zinc/22/93/23/1427229323.db2.gz FSWUBWITALCYKR-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001731286826 1427230395 /nfs/dbraw/zinc/23/03/95/1427230395.db2.gz PRISOMCTNZTBNH-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001731347699 1427285549 /nfs/dbraw/zinc/28/55/49/1427285549.db2.gz RIFLAYFBDNKQSR-LJQANCHMSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001731377920 1427312877 /nfs/dbraw/zinc/31/28/77/1427312877.db2.gz OJUJXEJVBGEXPU-DSQZMVHQSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001731384160 1427325745 /nfs/dbraw/zinc/32/57/45/1427325745.db2.gz AXCXTJXWEGSUGO-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001731388220 1427337838 /nfs/dbraw/zinc/33/78/38/1427337838.db2.gz YOEZDLXPTGZNHO-QUCCMNQESA-N 2 0 349.563 3.220 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001731416817 1427388414 /nfs/dbraw/zinc/38/84/14/1427388414.db2.gz NPRUFAVFHZWFGC-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001731429097 1427410329 /nfs/dbraw/zinc/41/03/29/1427410329.db2.gz QPGQERNAGUBBGQ-OAOPFVHKSA-N 2 0 347.547 3.140 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC001731546604 1427563340 /nfs/dbraw/zinc/56/33/40/1427563340.db2.gz NPDNSGBCZIIHSV-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688286 1427736316 /nfs/dbraw/zinc/73/63/16/1427736316.db2.gz XNXZOPZMRUNSNJ-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001731695319 1427744925 /nfs/dbraw/zinc/74/49/25/1427744925.db2.gz BTNAXONBILQZNI-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001731740684 1427828439 /nfs/dbraw/zinc/82/84/39/1427828439.db2.gz XYDMLNKHHJKHDF-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001731756494 1427856908 /nfs/dbraw/zinc/85/69/08/1427856908.db2.gz APVBUAQOXKXSDL-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001731883173 1428155480 /nfs/dbraw/zinc/15/54/80/1428155480.db2.gz BWBVCZVOQWGXRD-IBGZPJMESA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H](C(=O)N(C)CC[NH2+]C/C=C\c1ccccc1)[NH+]1CCCCCC1 ZINC001731962050 1428185297 /nfs/dbraw/zinc/18/52/97/1428185297.db2.gz LWTMECNICMNQNN-QTJNJRLBSA-N 2 0 343.515 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001733761714 1429977098 /nfs/dbraw/zinc/97/70/98/1429977098.db2.gz YOGHOUMZKXHZRU-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001733762829 1429980819 /nfs/dbraw/zinc/98/08/19/1429980819.db2.gz QJCZRMRHPPNZJJ-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CCC1([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001733808877 1430082561 /nfs/dbraw/zinc/08/25/61/1430082561.db2.gz ATQUBUDMCYOUIN-QRVBRYPASA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001733866165 1437693950 /nfs/dbraw/zinc/69/39/50/1437693950.db2.gz OCMWABXDLVKLHY-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001733866315 1437694017 /nfs/dbraw/zinc/69/40/17/1437694017.db2.gz SOEMVJITIBYSTL-XSAZBNQGSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2c(C)cccc2C)CC1 ZINC001733870349 1437696528 /nfs/dbraw/zinc/69/65/28/1437696528.db2.gz VNDSHTQQPHUQCL-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](C[C@@H](C)CC)CC2 ZINC001733911374 1437729583 /nfs/dbraw/zinc/72/95/83/1437729583.db2.gz PPDAXJYTOFMAHY-SFHVURJKSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001733941945 1437758222 /nfs/dbraw/zinc/75/82/22/1437758222.db2.gz RSUKWWDILSQSGZ-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001733960135 1437766153 /nfs/dbraw/zinc/76/61/53/1437766153.db2.gz NEMNPXQYTPNKNR-UHFFFAOYSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001734087038 1437872646 /nfs/dbraw/zinc/87/26/46/1437872646.db2.gz DWTZOQIDBIYQTJ-SFHVURJKSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001734150251 1437918069 /nfs/dbraw/zinc/91/80/69/1437918069.db2.gz QQGVTHQITFKUNH-IEBWSBKVSA-N 2 0 345.531 3.143 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001734155155 1437921696 /nfs/dbraw/zinc/92/16/96/1437921696.db2.gz PNIIRNVUHQNJPP-IEBWSBKVSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]Cc2ccccc2)CC1 ZINC001734256160 1437971810 /nfs/dbraw/zinc/97/18/10/1437971810.db2.gz CZLRYIBZYBPPOS-SFHVURJKSA-N 2 0 345.531 3.182 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001734407643 1438085495 /nfs/dbraw/zinc/08/54/95/1438085495.db2.gz LQFQBKTUQIRYIK-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001734494748 1438131948 /nfs/dbraw/zinc/13/19/48/1438131948.db2.gz BYIXSONJXDACAQ-WARJXXDVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001734552783 1438151159 /nfs/dbraw/zinc/15/11/59/1438151159.db2.gz YKSGQDOGEQCTTN-IBGZPJMESA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001734563385 1438160263 /nfs/dbraw/zinc/16/02/63/1438160263.db2.gz XNQOCIQOJCYPJQ-OALUTQOASA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001734569193 1438163698 /nfs/dbraw/zinc/16/36/98/1438163698.db2.gz NDXODBHHWHGURV-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC2CCCC2)C1 ZINC001734596332 1438180890 /nfs/dbraw/zinc/18/08/90/1438180890.db2.gz NMMDBEZTCBWRDW-JLAWEPINSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001734603548 1438184380 /nfs/dbraw/zinc/18/43/80/1438184380.db2.gz GMMNDBIIVSYBMJ-QZTJIDSGSA-N 2 0 349.563 3.266 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1)c1ccccc1 ZINC001750946320 1440118982 /nfs/dbraw/zinc/11/89/82/1440118982.db2.gz ZYOKORRTLSDDFM-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP CCC[N@H+](CCC1CCC([NH3+])CC1)[C@@H]1CCc2nc(N)sc2C1 ZINC000098091570 283216125 /nfs/dbraw/zinc/21/61/25/283216125.db2.gz CJSNSEJQHILRQM-YMAMQOFZSA-N 2 0 336.549 3.202 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271734242 201246251 /nfs/dbraw/zinc/24/62/51/201246251.db2.gz CUWIOMQMTQYXJG-WOJBJXKFSA-N 2 0 333.495 3.138 10 0 EGAERP Cc1ccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000069490710 203009200 /nfs/dbraw/zinc/00/92/00/203009200.db2.gz KBAJKBQUNHLMOX-FQEVSTJZSA-N 2 0 328.456 3.123 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000155108879 296146676 /nfs/dbraw/zinc/14/66/76/296146676.db2.gz XFKVMCBFUHLQRV-QWHCGFSZSA-N 2 0 330.303 3.280 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353621488 296312777 /nfs/dbraw/zinc/31/27/77/296312777.db2.gz WEWSZQJOLHNCSK-HSALFYBXSA-N 2 0 349.563 3.364 10 0 EGAERP O[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000186673281 285300514 /nfs/dbraw/zinc/30/05/14/285300514.db2.gz KHHVGEQADSWWTR-SFHVURJKSA-N 2 0 340.870 3.320 10 0 EGAERP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000353438721 141295214 /nfs/dbraw/zinc/29/52/14/141295214.db2.gz VEQSYVGVGSCSJY-NRSPTQNISA-N 2 0 338.499 3.452 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000175191483 144059287 /nfs/dbraw/zinc/05/92/87/144059287.db2.gz JKMPUOYHEMDHPS-GJZGRUSLSA-N 2 0 337.508 3.058 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000186468430 144134322 /nfs/dbraw/zinc/13/43/22/144134322.db2.gz BEVAWZWIJJFHDZ-KRWDZBQOSA-N 2 0 343.515 3.262 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000360589431 286292298 /nfs/dbraw/zinc/29/22/98/286292298.db2.gz QZEFOFWZWNBTRI-ZWKOTPCHSA-N 2 0 346.515 3.124 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3cccs3)CC2)CC1 ZINC000191500295 153201209 /nfs/dbraw/zinc/20/12/09/153201209.db2.gz WSUVTJFSOKZSOO-UHFFFAOYSA-N 2 0 333.545 3.253 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000248836507 163037717 /nfs/dbraw/zinc/03/77/17/163037717.db2.gz NDSRSEUAHLMYCC-QKYXUNIQSA-N 2 0 332.488 3.235 10 0 EGAERP C[N@H+](CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1)C1CCCCC1 ZINC000338538839 163266142 /nfs/dbraw/zinc/26/61/42/163266142.db2.gz YRUHESKTLFICML-UHFFFAOYSA-N 2 0 343.515 3.277 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+]C/C=C\c1ccc(F)cc1 ZINC000342410313 163871692 /nfs/dbraw/zinc/87/16/92/163871692.db2.gz ARZHLVMNMJDVEX-HYXAFXHYSA-N 2 0 343.446 3.354 10 0 EGAERP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC000345904976 164291708 /nfs/dbraw/zinc/29/17/08/164291708.db2.gz KUFMRLFDNSYPRT-UHFFFAOYSA-N 2 0 345.531 3.475 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cn(C)nc2-c2cccnc2)CC1 ZINC000350143077 165010587 /nfs/dbraw/zinc/01/05/87/165010587.db2.gz MBUHRFLEDIPETM-UHFFFAOYSA-N 2 0 341.503 3.036 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(OC)c3c(c2)OCCO3)CC1 ZINC000350143113 165010645 /nfs/dbraw/zinc/01/06/45/165010645.db2.gz MSAJINGTXXXJRJ-UHFFFAOYSA-N 2 0 348.487 3.020 10 0 EGAERP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](C[NH+](C)CC2CC2)C1 ZINC000351688778 165134414 /nfs/dbraw/zinc/13/44/14/165134414.db2.gz UVQPALLBNZIFGZ-GOSISDBHSA-N 2 0 338.499 3.251 10 0 EGAERP CCC[N@H+](CC)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000359773246 167229151 /nfs/dbraw/zinc/22/91/51/167229151.db2.gz IEIUYXYRMSQEPK-QGZVFWFLSA-N 2 0 331.504 3.133 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2cnccc2C)cc1 ZINC000280026460 275393315 /nfs/dbraw/zinc/39/33/15/275393315.db2.gz UIIAPOPRJXSYBE-UHFFFAOYSA-N 2 0 327.472 3.400 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000119613279 302020198 /nfs/dbraw/zinc/02/01/98/302020198.db2.gz PUOFLBIMMXZBAX-OKCRPCIYSA-N 2 0 327.516 3.299 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2ccccc2OCC2CC2)C[C@@H](C)O1 ZINC000067452571 307365742 /nfs/dbraw/zinc/36/57/42/307365742.db2.gz JSPMHFYBPOTZOQ-QZTJIDSGSA-N 2 0 346.515 3.454 10 0 EGAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296323 309071154 /nfs/dbraw/zinc/07/11/54/309071154.db2.gz DWSJXTDWBHVMGL-OALUTQOASA-N 2 0 330.516 3.428 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@H](O)C(C)C ZINC000414302778 309071567 /nfs/dbraw/zinc/07/15/67/309071567.db2.gz BWIHVTOZNXVCBA-DZFGPLHGSA-N 2 0 332.532 3.467 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](OC)C(C)(C)C)CC1 ZINC000236783738 307944153 /nfs/dbraw/zinc/94/41/53/307944153.db2.gz QHSWQLJHVOQFEV-FQEVSTJZSA-N 2 0 347.547 3.369 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000293033956 308092459 /nfs/dbraw/zinc/09/24/59/308092459.db2.gz KEYQMOHGKWGSIK-CQSZACIVSA-N 2 0 329.419 3.305 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(F)c2ccccc21)N1CC[NH+](C)CC1 ZINC000293792298 308162257 /nfs/dbraw/zinc/16/22/57/308162257.db2.gz QQVAOHHFECLEDZ-HZPDHXFCSA-N 2 0 329.463 3.265 10 0 EGAERP O=C(NCCCCC[NH+]1CCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000293797594 308162746 /nfs/dbraw/zinc/16/27/46/308162746.db2.gz BABQLEKXKHVMRC-UHFFFAOYSA-N 2 0 343.515 3.278 10 0 EGAERP CCCCC[N@@H+](Cc1ccc(F)cc1)C[C@@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674389 309095074 /nfs/dbraw/zinc/09/50/74/309095074.db2.gz DVTODNRDGQYFQI-SFHVURJKSA-N 2 0 349.494 3.015 10 0 EGAERP CCCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CC)c1ccccc1 ZINC000414691038 309095625 /nfs/dbraw/zinc/09/56/25/309095625.db2.gz IKGIBVOAAMVPIF-UYAOXDASSA-N 2 0 345.531 3.437 10 0 EGAERP C[C@H]1C[C@@H](C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414730291 309097762 /nfs/dbraw/zinc/09/77/62/309097762.db2.gz GMCNFFVBIGPDNU-RYUDHWBXSA-N 2 0 344.286 3.252 10 0 EGAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414745267 309098529 /nfs/dbraw/zinc/09/85/29/309098529.db2.gz PHMTWNPJOLYORE-QAPCUYQASA-N 2 0 349.906 3.064 10 0 EGAERP CCc1noc(C2CCC([NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)CC2)n1 ZINC000414811655 309103087 /nfs/dbraw/zinc/10/30/87/309103087.db2.gz QDDNOQXXRSPGID-NVPAJSRCSA-N 2 0 328.460 3.468 10 0 EGAERP COc1cc2c(c(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)c1)O[C@@H](C)C2 ZINC000414813238 309103210 /nfs/dbraw/zinc/10/32/10/309103210.db2.gz SYDKNFKTEWNQMJ-KBPBESRZSA-N 2 0 326.440 3.328 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000413213857 309021871 /nfs/dbraw/zinc/02/18/71/309021871.db2.gz KIWRNUUUDYGUCN-QXAKKESOSA-N 2 0 331.504 3.011 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC(NCCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876679 309106901 /nfs/dbraw/zinc/10/69/01/309106901.db2.gz KTKWBEAQRIQVEP-RXVVDRJESA-N 2 0 344.547 3.194 10 0 EGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000414884167 309107119 /nfs/dbraw/zinc/10/71/19/309107119.db2.gz USRXQGHQDLWODW-WIYYLYMNSA-N 2 0 344.547 3.194 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414932574 309109935 /nfs/dbraw/zinc/10/99/35/309109935.db2.gz CUQBMWRCASTJTG-QRWLVFNGSA-N 2 0 328.431 3.492 10 0 EGAERP COC[C@]1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(OC(C)C)cc2)CCC[NH2+]1 ZINC000414942708 309110461 /nfs/dbraw/zinc/11/04/61/309110461.db2.gz KNMMXUTUHPLBGV-QHAWAJNXSA-N 2 0 346.515 3.468 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942808 309110632 /nfs/dbraw/zinc/11/06/32/309110632.db2.gz MZFATOORQOCERY-ACJLOTCBSA-N 2 0 339.886 3.031 10 0 EGAERP Cc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053314 309116785 /nfs/dbraw/zinc/11/67/85/309116785.db2.gz MMHUSZKTJPCGRD-XABBQPORSA-N 2 0 341.543 3.437 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416147776 309160935 /nfs/dbraw/zinc/16/09/35/309160935.db2.gz BUKSPJMGMCLSAB-ZHALLVOQSA-N 2 0 331.504 3.059 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000420314117 309281670 /nfs/dbraw/zinc/28/16/70/309281670.db2.gz YUEBCZSNKIIDBM-YLJYHZDGSA-N 2 0 332.488 3.161 10 0 EGAERP COc1cc(CCC2CC[NH+](CC[C@@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000420324478 309282229 /nfs/dbraw/zinc/28/22/29/309282229.db2.gz VKQCWYYDALYQKF-SFHVURJKSA-N 2 0 346.515 3.348 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420386361 309285684 /nfs/dbraw/zinc/28/56/84/309285684.db2.gz FRLUKADNVMFXLO-QZTJIDSGSA-N 2 0 340.471 3.133 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422707653 309363981 /nfs/dbraw/zinc/36/39/81/309363981.db2.gz WVZAIPLDJRULOR-HNNXBMFYSA-N 2 0 330.394 3.081 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000422768099 309367342 /nfs/dbraw/zinc/36/73/42/309367342.db2.gz UGTABPCCABZCLY-BXUZGUMPSA-N 2 0 327.266 3.380 10 0 EGAERP COc1ccc(OC)c([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422771365 309367543 /nfs/dbraw/zinc/36/75/43/309367543.db2.gz REBGAVFIRVGJBQ-JSGCOSHPSA-N 2 0 329.444 3.278 10 0 EGAERP COc1ccc([C@H](NC[C@@H](CC(C)C)[NH+](C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422819979 309370195 /nfs/dbraw/zinc/37/01/95/309370195.db2.gz OQXJFPXRRWYDGX-RLLQIKCJSA-N 2 0 333.520 3.054 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@H]1C ZINC000422876036 309373218 /nfs/dbraw/zinc/37/32/18/309373218.db2.gz FWGLXTSQGRSORJ-VQIMIIECSA-N 2 0 326.488 3.473 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422882075 309373879 /nfs/dbraw/zinc/37/38/79/309373879.db2.gz ACSYTBGKRAEAFS-SHJAMOMRSA-N 2 0 343.515 3.095 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422894943 309374692 /nfs/dbraw/zinc/37/46/92/309374692.db2.gz DPEJJSSSQJFUIQ-OAHLLOKOSA-N 2 0 339.487 3.085 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422895305 309374874 /nfs/dbraw/zinc/37/48/74/309374874.db2.gz FKWOJKGANBSQPR-HSALFYBXSA-N 2 0 342.531 3.472 10 0 EGAERP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)c1Cl ZINC000422930013 309376613 /nfs/dbraw/zinc/37/66/13/309376613.db2.gz ASHGWUMUXMAQMP-VNQPRFMTSA-N 2 0 343.298 3.283 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940557 309377311 /nfs/dbraw/zinc/37/73/11/309377311.db2.gz GZOFEARZKAAFAW-UYAOXDASSA-N 2 0 346.446 3.267 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962853 309378480 /nfs/dbraw/zinc/37/84/80/309378480.db2.gz GUCAPALDLNOOQL-OXQOHEQNSA-N 2 0 332.536 3.400 10 0 EGAERP CC(C)N1CC[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423042873 309382557 /nfs/dbraw/zinc/38/25/57/309382557.db2.gz MMPZKMVNQZTJTI-RPLLJCPNSA-N 2 0 325.447 3.204 10 0 EGAERP CC[C@H]([NH2+][C@@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058402 309383543 /nfs/dbraw/zinc/38/35/43/309383543.db2.gz CBUPWIAUQWQSBJ-GJZGRUSLSA-N 2 0 347.272 3.383 10 0 EGAERP CC[C@H]([NH2+][C@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058401 309383636 /nfs/dbraw/zinc/38/36/36/309383636.db2.gz CBUPWIAUQWQSBJ-CABCVRRESA-N 2 0 347.272 3.383 10 0 EGAERP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093138 309385595 /nfs/dbraw/zinc/38/55/95/309385595.db2.gz FZDFGGNYJGVKLJ-OXFYSEKESA-N 2 0 332.488 3.019 10 0 EGAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094720 309385710 /nfs/dbraw/zinc/38/57/10/309385710.db2.gz KPIZJTYLMNCRCQ-RDGPPVDQSA-N 2 0 335.536 3.068 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3c(F)cccc32)CC[NH2+]CC1 ZINC000423142948 309388116 /nfs/dbraw/zinc/38/81/16/309388116.db2.gz BWITWMCDAGAYEU-KDOFPFPSSA-N 2 0 348.462 3.114 10 0 EGAERP COCCOc1ccc([C@@H](C)[NH2+]C[C@@H](N)c2ccccc2)cc1OC ZINC000423233005 309391596 /nfs/dbraw/zinc/39/15/96/309391596.db2.gz DBRYLUWZLYKXLQ-CRAIPNDOSA-N 2 0 344.455 3.071 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423267269 309393093 /nfs/dbraw/zinc/39/30/93/309393093.db2.gz CQQGKLCYAZCQHF-JJRVBVJISA-N 2 0 337.305 3.414 10 0 EGAERP C[C@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)COCc1ccccc1 ZINC000425901819 309494284 /nfs/dbraw/zinc/49/42/84/309494284.db2.gz QPAKNUBPDMGSLA-MRXNPFEDSA-N 2 0 343.471 3.084 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)[C@H](C)C1 ZINC000449026552 310030500 /nfs/dbraw/zinc/03/05/00/310030500.db2.gz GGZKPWYYDYTROL-DNVCBOLYSA-N 2 0 344.478 3.388 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)[C@H](C)C1 ZINC000449032297 310031106 /nfs/dbraw/zinc/03/11/06/310031106.db2.gz WXXMQCOQHMPYHL-SJLPKXTDSA-N 2 0 332.488 3.400 10 0 EGAERP CC[N@@H+]1CC[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449088547 310036176 /nfs/dbraw/zinc/03/61/76/310036176.db2.gz HXSFETDHNPGZHZ-QUCCMNQESA-N 2 0 329.532 3.013 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cscn2)CC1 ZINC000449170373 310042034 /nfs/dbraw/zinc/04/20/34/310042034.db2.gz QPPAEFFOXOVHGN-MRXNPFEDSA-N 2 0 329.513 3.371 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000449184816 310043041 /nfs/dbraw/zinc/04/30/41/310043041.db2.gz IJGSJUMHRXJBOS-DBXWQHBBSA-N 2 0 341.543 3.297 10 0 EGAERP CO[C@]1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOC1 ZINC000449250925 310047574 /nfs/dbraw/zinc/04/75/74/310047574.db2.gz OUHMQFMPGZTOOE-IBGZPJMESA-N 2 0 326.525 3.061 10 0 EGAERP CC[C@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027440 310253398 /nfs/dbraw/zinc/25/33/98/310253398.db2.gz VJADXVOARBQZPS-PMACEKPBSA-N 2 0 330.516 3.380 10 0 EGAERP C[C@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000453420134 310276200 /nfs/dbraw/zinc/27/62/00/310276200.db2.gz ZGJBRPSQOPHJCR-AWEZNQCLSA-N 2 0 347.894 3.446 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000456689549 310418119 /nfs/dbraw/zinc/41/81/19/310418119.db2.gz HZVVELSCUGFCBY-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459542743 310559596 /nfs/dbraw/zinc/55/95/96/310559596.db2.gz LWZNYUTYNMVUJG-IBGZPJMESA-N 2 0 341.430 3.475 10 0 EGAERP CC(C)[NH+]1CCC([N@H+](C)Cc2ccccc2-c2ccnn2C)CC1 ZINC000507098285 312058808 /nfs/dbraw/zinc/05/88/08/312058808.db2.gz PISJTTNQJCNYFU-UHFFFAOYSA-N 2 0 326.488 3.392 10 0 EGAERP C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511032707 312153344 /nfs/dbraw/zinc/15/33/44/312153344.db2.gz TWCRGCWVZDGZPT-VQIMIIECSA-N 2 0 334.504 3.219 10 0 EGAERP C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511032702 312153432 /nfs/dbraw/zinc/15/34/32/312153432.db2.gz TWCRGCWVZDGZPT-LPHOPBHVSA-N 2 0 334.504 3.219 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)ccc2F)CC1 ZINC000511152311 312156021 /nfs/dbraw/zinc/15/60/21/312156021.db2.gz YYXYMRZJASIHMG-UHFFFAOYSA-N 2 0 336.451 3.166 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccccc1Cl ZINC000514097869 312225034 /nfs/dbraw/zinc/22/50/34/312225034.db2.gz BXEVWUZBRLRTNG-JCHJZTRSSA-N 2 0 335.923 3.405 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000517476925 312380327 /nfs/dbraw/zinc/38/03/27/312380327.db2.gz YLXAKDBUYAAJLD-GOSISDBHSA-N 2 0 335.536 3.166 10 0 EGAERP C[C@@H]1C[NH+](CCOc2ccc(CC[NH2+]CC3(F)CC3)cc2)C[C@H]1C ZINC000527232808 312844372 /nfs/dbraw/zinc/84/43/72/312844372.db2.gz BYJQVHVXEOCOPA-IAGOWNOFSA-N 2 0 334.479 3.287 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2cc(C)c(C(=O)OC)o2)CC1 ZINC000536996287 314156077 /nfs/dbraw/zinc/15/60/77/314156077.db2.gz RQSYQVSBZCIXDB-HNNXBMFYSA-N 2 0 336.476 3.489 10 0 EGAERP Cc1cc(NC[C@@H]2CCC[N@@H+](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000538086563 314226226 /nfs/dbraw/zinc/22/62/26/314226226.db2.gz LOQOXUWTVJJWKA-ZDUSSCGKSA-N 2 0 335.398 3.320 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542475000 314549050 /nfs/dbraw/zinc/54/90/50/314549050.db2.gz RBKIWLBJXCICMJ-FQEVSTJZSA-N 2 0 342.462 3.417 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c2ccccc2n1 ZINC000552244801 315208559 /nfs/dbraw/zinc/20/85/59/315208559.db2.gz LQLLAKIYIRGXMH-YQVWRLOYSA-N 2 0 325.456 3.206 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000552249717 315209211 /nfs/dbraw/zinc/20/92/11/315209211.db2.gz IJYIYHBMCLPXLZ-OTWHNJEPSA-N 2 0 343.515 3.126 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247431 315209444 /nfs/dbraw/zinc/20/94/44/315209444.db2.gz OXROUGZCGHYPDB-NCXUSEDFSA-N 2 0 335.923 3.405 10 0 EGAERP CCN(C[C@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000555350131 315380469 /nfs/dbraw/zinc/38/04/69/315380469.db2.gz NIJJQVGRWDAWLU-HXUWFJFHSA-N 2 0 343.515 3.229 10 0 EGAERP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000564959585 316237092 /nfs/dbraw/zinc/23/70/92/316237092.db2.gz CWGFRVZHJSEMAP-JENIJYKNSA-N 2 0 343.515 3.076 10 0 EGAERP CC(C)Cc1ncc(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)s1 ZINC000178785397 323360519 /nfs/dbraw/zinc/36/05/19/323360519.db2.gz JFALWXHOJCBPKB-HOTGVXAUSA-N 2 0 339.549 3.321 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000350590246 324099402 /nfs/dbraw/zinc/09/94/02/324099402.db2.gz DVKOTUAAOJBPCQ-HUUCEWRRSA-N 2 0 344.459 3.050 10 0 EGAERP c1ccc(COC[C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000384093736 324258624 /nfs/dbraw/zinc/25/86/24/324258624.db2.gz MWMVLMJKPWTFIM-FQEVSTJZSA-N 2 0 336.479 3.371 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@H](C)CN(C)C(C)C)CC3 ZINC000580368199 325239963 /nfs/dbraw/zinc/23/99/63/325239963.db2.gz DPMJXEKWYNXXQZ-CABCVRRESA-N 2 0 329.488 3.352 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469956 460565583 /nfs/dbraw/zinc/56/55/83/460565583.db2.gz XXALOAFXSFPCOS-VQIMIIECSA-N 2 0 330.520 3.069 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623477035 460570697 /nfs/dbraw/zinc/57/06/97/460570697.db2.gz ZEHXTRZLRKLHIQ-DOTOQJQBSA-N 2 0 334.504 3.345 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]CC(C2CCC2)C2CCC2)CC[NH2+]CC1 ZINC000600704050 460574107 /nfs/dbraw/zinc/57/41/07/460574107.db2.gz ODLLAIRJTSCKRD-OAHLLOKOSA-N 2 0 336.520 3.114 10 0 EGAERP [NH3+][C@H]1CCCCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000631832433 460575924 /nfs/dbraw/zinc/57/59/24/460575924.db2.gz FVTOQUGHZQMRKP-ZDUSSCGKSA-N 2 0 327.831 3.011 10 0 EGAERP CC[NH+](CC)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968062 460597845 /nfs/dbraw/zinc/59/78/45/460597845.db2.gz CLCLKXKXBMKEDC-OAHLLOKOSA-N 2 0 346.302 3.054 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968846 460598825 /nfs/dbraw/zinc/59/88/25/460598825.db2.gz RUSJVFCJMTZKQM-OAHLLOKOSA-N 2 0 346.302 3.054 10 0 EGAERP COc1ccc(C[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)cc1OC1CC1 ZINC000623575002 460619838 /nfs/dbraw/zinc/61/98/38/460619838.db2.gz FPTWJNDSJZYXLC-GOSISDBHSA-N 2 0 344.499 3.448 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(C)n2)CC1 ZINC000088685050 454116392 /nfs/dbraw/zinc/11/63/92/454116392.db2.gz JYGZYWKZLMNGGS-UHFFFAOYSA-N 2 0 338.499 3.212 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246033002 455416138 /nfs/dbraw/zinc/41/61/38/455416138.db2.gz WFLSFSKFAWSXLR-JFROBXPVSA-N 2 0 333.564 3.446 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047144991 454334237 /nfs/dbraw/zinc/33/42/37/454334237.db2.gz VHNDJNJSCYIBJV-SFHVURJKSA-N 2 0 343.515 3.277 10 0 EGAERP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000122698630 454560313 /nfs/dbraw/zinc/56/03/13/454560313.db2.gz QZRFYFGRWOWIOG-LJQANCHMSA-N 2 0 327.516 3.247 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123043577 454595776 /nfs/dbraw/zinc/59/57/76/454595776.db2.gz BGTKUPRACGUQDI-MRXNPFEDSA-N 2 0 341.499 3.498 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123609486 454657074 /nfs/dbraw/zinc/65/70/74/454657074.db2.gz DGNLURGSJCAYBP-QZTJIDSGSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000081096957 454686694 /nfs/dbraw/zinc/68/66/94/454686694.db2.gz OXLCYMLNNXVYFV-WBVHZDCISA-N 2 0 349.544 3.399 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000163241833 454834197 /nfs/dbraw/zinc/83/41/97/454834197.db2.gz RUCLUUCDAKGKEI-INIZCTEOSA-N 2 0 335.923 3.236 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000163312316 454838279 /nfs/dbraw/zinc/83/82/79/454838279.db2.gz GSWKFFZBYFURQP-HOCLYGCPSA-N 2 0 330.451 3.312 10 0 EGAERP Cc1nccn1C[C@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(C)c(F)c1 ZINC000178291543 454945895 /nfs/dbraw/zinc/94/58/95/454945895.db2.gz KUCWVDHZEVTQPD-RHSMWYFYSA-N 2 0 344.434 3.131 10 0 EGAERP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000155149838 454968218 /nfs/dbraw/zinc/96/82/18/454968218.db2.gz AFHDGNREAYHFAJ-RTWAWAEBSA-N 2 0 330.516 3.178 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3s2)CC1 ZINC000179515695 455054508 /nfs/dbraw/zinc/05/45/08/455054508.db2.gz BEAMLDDKOYYTAC-HNNXBMFYSA-N 2 0 332.513 3.426 10 0 EGAERP O[C@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180148984 455139801 /nfs/dbraw/zinc/13/98/01/455139801.db2.gz KVOBSRGMDJXRRA-QNXAMLQOSA-N 2 0 328.500 3.323 10 0 EGAERP COc1ccccc1/C=C/C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000237300351 455170785 /nfs/dbraw/zinc/17/07/85/455170785.db2.gz HCGODQIGMSFPNM-GMPQZDMWSA-N 2 0 332.488 3.187 10 0 EGAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000183559866 455305413 /nfs/dbraw/zinc/30/54/13/455305413.db2.gz SIWJEZDMHVUJLQ-OAHLLOKOSA-N 2 0 340.471 3.007 10 0 EGAERP CO[C@@H](C)c1noc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)n1 ZINC000183689332 455321409 /nfs/dbraw/zinc/32/14/09/455321409.db2.gz LZAHNYDZOVCIBY-OLZOCXBDSA-N 2 0 341.415 3.122 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](Cc3ccc(Oc4cnccn4)cc3)CC[C@H]21 ZINC000245750705 455372445 /nfs/dbraw/zinc/37/24/45/455372445.db2.gz HBRKIHWMMSKADB-IEBWSBKVSA-N 2 0 338.455 3.185 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869933 455389232 /nfs/dbraw/zinc/38/92/32/455389232.db2.gz RFCXGZNWEKWERE-ZFWWWQNUSA-N 2 0 332.517 3.435 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182060271 455426547 /nfs/dbraw/zinc/42/65/47/455426547.db2.gz PFZYBYZNSMTCEW-HNAYVOBHSA-N 2 0 339.474 3.135 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](CC2CCOCC2)CC1 ZINC000185311695 455538211 /nfs/dbraw/zinc/53/82/11/455538211.db2.gz WITHWFKDGBEVTI-UHFFFAOYSA-N 2 0 339.483 3.400 10 0 EGAERP Cc1cccc(C)c1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182599751 455549976 /nfs/dbraw/zinc/54/99/76/455549976.db2.gz PYKOZFHEDSFVGE-YOFSQIOKSA-N 2 0 327.516 3.046 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccsc1 ZINC000262088632 455995634 /nfs/dbraw/zinc/99/56/34/455995634.db2.gz CFFXQRBBPZKHHY-XOYOTBSWSA-N 2 0 349.544 3.168 10 0 EGAERP Fc1ccc(-c2c[nH]c([C@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000262149940 456004712 /nfs/dbraw/zinc/00/47/12/456004712.db2.gz FWZVKBDVGHCMBN-GOSISDBHSA-N 2 0 328.435 3.352 10 0 EGAERP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604441 456010367 /nfs/dbraw/zinc/01/03/67/456010367.db2.gz YYNFKTXHDKNCON-BWAGFHJFSA-N 2 0 338.495 3.090 10 0 EGAERP OC[C@H](CC1CCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000281175991 456154557 /nfs/dbraw/zinc/15/45/57/456154557.db2.gz QHICJMDTZYIVAE-BURNTYAHSA-N 2 0 328.500 3.323 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1cn(-c2ccc(Cl)c(Cl)c2)nn1 ZINC000273058567 456162104 /nfs/dbraw/zinc/16/21/04/456162104.db2.gz HFTYWTCUOXNOGG-UHFFFAOYSA-N 2 0 342.274 3.006 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@H](C)C2)[C@@H](C)C1 ZINC000297600071 456260707 /nfs/dbraw/zinc/26/07/07/456260707.db2.gz FSMRVDHCXXVJQI-NSHGMRRFSA-N 2 0 345.531 3.074 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000290230575 456271415 /nfs/dbraw/zinc/27/14/15/456271415.db2.gz FUPCBUVUBKBGSC-PKOBYXMFSA-N 2 0 334.504 3.236 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[C@@H]21 ZINC000340424190 456452479 /nfs/dbraw/zinc/45/24/79/456452479.db2.gz BVVSUAQOIOSWML-KKUMJFAQSA-N 2 0 327.394 3.105 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000340472685 456481448 /nfs/dbraw/zinc/48/14/48/456481448.db2.gz KFPJOZQHUQWZKW-HXUWFJFHSA-N 2 0 341.503 3.078 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000321279754 456635776 /nfs/dbraw/zinc/63/57/76/456635776.db2.gz IHDHPYHPPOADNJ-WMLDXEAASA-N 2 0 335.879 3.051 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000338002717 456650054 /nfs/dbraw/zinc/65/00/54/456650054.db2.gz ZDHOQTRJOFDBNC-NHCUHLMSSA-N 2 0 328.500 3.312 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)CC1 ZINC000348683302 456815075 /nfs/dbraw/zinc/81/50/75/456815075.db2.gz OUHWRIBREMFELY-GIESBBMHSA-N 2 0 335.536 3.066 10 0 EGAERP CCN(CCC[NH+](CC)CC)Cc1cc(OC)c2c(c1)OCCO2 ZINC000349387822 456960988 /nfs/dbraw/zinc/96/09/88/456960988.db2.gz WVVYXPGEOCCIFT-UHFFFAOYSA-N 2 0 336.476 3.020 10 0 EGAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000353929142 456969516 /nfs/dbraw/zinc/96/95/16/456969516.db2.gz DBDPAOYBYHKWRU-VDGAXYAQSA-N 2 0 344.499 3.350 10 0 EGAERP Cc1cnn(CC[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)c1 ZINC000341905064 456994713 /nfs/dbraw/zinc/99/47/13/456994713.db2.gz BGMAQTIIOOQSRW-UHFFFAOYSA-N 2 0 338.499 3.180 10 0 EGAERP Cc1cc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)ccc1F ZINC000359378202 457078321 /nfs/dbraw/zinc/07/83/21/457078321.db2.gz BUZOSGWLGHXECH-AZUAARDMSA-N 2 0 334.479 3.412 10 0 EGAERP C[C@@H]1C[C@H]1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000354206417 457130515 /nfs/dbraw/zinc/13/05/15/457130515.db2.gz JVIDJEQSLSWMEH-HOJAQTOUSA-N 2 0 328.500 3.161 10 0 EGAERP C[N@@H+]1CCC[C@@H]2CN(Cc3cnc(-c4ccccn4)s3)CC[C@H]21 ZINC000355221470 457348031 /nfs/dbraw/zinc/34/80/31/457348031.db2.gz MAXPZKYSKBYGAY-RHSMWYFYSA-N 2 0 328.485 3.121 10 0 EGAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382760914 457422938 /nfs/dbraw/zinc/42/29/38/457422938.db2.gz XABPPBKWDCUALS-FQEVSTJZSA-N 3 0 349.522 3.286 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400588650 457518937 /nfs/dbraw/zinc/51/89/37/457518937.db2.gz SWPKFSLFHALBPW-JKSUJKDBSA-N 2 0 339.524 3.096 10 0 EGAERP c1cn(-c2ccc(C[NH2+][C@@H](c3ccccc3)[C@@H]3CCOC3)cn2)cn1 ZINC000374494877 457640446 /nfs/dbraw/zinc/64/04/46/457640446.db2.gz GKJUREGMXCDEIR-QUCCMNQESA-N 2 0 334.423 3.135 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000358555414 458074236 /nfs/dbraw/zinc/07/42/36/458074236.db2.gz AEOZPMFTVMAZMT-QHAWAJNXSA-N 2 0 342.527 3.429 10 0 EGAERP COc1ccc(OC)c([C@H]2CCC[N@@H+]2CCCn2ccnc2C)c1 ZINC000372024559 458164489 /nfs/dbraw/zinc/16/44/89/458164489.db2.gz AAECZSHCIMWNPQ-GOSISDBHSA-N 2 0 329.444 3.436 10 0 EGAERP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CC[C@](C)(c4ccccc4)C3)CC2)C1 ZINC000372670866 458314030 /nfs/dbraw/zinc/31/40/30/458314030.db2.gz BJAGOJMZCVTYGX-FKBYEOEOSA-N 2 0 341.543 3.209 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000429350466 458319838 /nfs/dbraw/zinc/31/98/38/458319838.db2.gz QCBRWZXXUCMHOF-YOEHRIQHSA-N 2 0 337.895 3.331 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459325992 458330993 /nfs/dbraw/zinc/33/09/93/458330993.db2.gz MMEFBOUSLZOUSX-LGGPRVQUSA-N 2 0 341.543 3.281 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366567 458345537 /nfs/dbraw/zinc/34/55/37/458345537.db2.gz BEHLCQNDVNKITN-YJBOKZPZSA-N 2 0 340.471 3.011 10 0 EGAERP COCCC[C@H](N[C@@H](C)[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423453486 458435429 /nfs/dbraw/zinc/43/54/29/458435429.db2.gz XSOJJVNIQNINPF-HUBLWGQQSA-N 2 0 329.282 3.242 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423499496 458443772 /nfs/dbraw/zinc/44/37/72/458443772.db2.gz BASNSUJSQWNBBZ-GRERDSQWSA-N 2 0 327.516 3.178 10 0 EGAERP CC(=O)Nc1ccc([C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423531744 458453946 /nfs/dbraw/zinc/45/39/46/458453946.db2.gz TYKGYVHJUNQBIA-QYNFTHNESA-N 2 0 341.499 3.449 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[C@H]4C[NH2+]C[C@@H]4C2)C3)cc1 ZINC000423557516 458456720 /nfs/dbraw/zinc/45/67/20/458456720.db2.gz ZWPMTHGSNVUKSS-ZEOIANDVSA-N 3 0 339.527 3.160 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](C)(c3ccccc3)C2)CC1 ZINC000377113229 458466207 /nfs/dbraw/zinc/46/62/07/458466207.db2.gz IYYFBFROYYHTKG-OAQYLSRUSA-N 2 0 329.532 3.066 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273026 458601549 /nfs/dbraw/zinc/60/15/49/458601549.db2.gz RXSYZDQPMHPSQD-AANPDWTMSA-N 2 0 342.527 3.344 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]C2CC(OCc3ccccc3)C2)C[C@H](C)O1 ZINC000493977335 458608930 /nfs/dbraw/zinc/60/89/30/458608930.db2.gz NGSIAXWUUXAPCP-KHQYNDFOSA-N 2 0 346.515 3.213 10 0 EGAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463069770 458676076 /nfs/dbraw/zinc/67/60/76/458676076.db2.gz BJNJPXKWWMQUCT-PMACEKPBSA-N 2 0 343.559 3.404 10 0 EGAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCN(c2ccccc2)C1 ZINC000518385459 458864384 /nfs/dbraw/zinc/86/43/84/458864384.db2.gz TVUBARJNHDZZPR-JOCHJYFZSA-N 2 0 335.495 3.433 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCC[C@H]1C ZINC000480624222 459210132 /nfs/dbraw/zinc/21/01/32/459210132.db2.gz JGFMCLQPEAZPRN-SFHLNBCPSA-N 2 0 329.532 3.361 10 0 EGAERP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481210052 459239237 /nfs/dbraw/zinc/23/92/37/459239237.db2.gz ZIBUGLCZOCDBIR-WNKNEZEQSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000534329292 459315326 /nfs/dbraw/zinc/31/53/26/459315326.db2.gz XFVMSUHRYXYYDX-CQSZACIVSA-N 2 0 327.875 3.157 10 0 EGAERP CCn1c2ccccc2nc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000583962494 459625590 /nfs/dbraw/zinc/62/55/90/459625590.db2.gz UTWAHLSTLWLRCQ-KRWDZBQOSA-N 2 0 326.488 3.220 10 0 EGAERP Cc1cc(C[NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccn1 ZINC000527654463 459685140 /nfs/dbraw/zinc/68/51/40/459685140.db2.gz QJFISXJDYAVABN-INIZCTEOSA-N 2 0 342.462 3.132 10 0 EGAERP Cc1ccccc1-c1nc(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)no1 ZINC000584404993 459729619 /nfs/dbraw/zinc/72/96/19/459729619.db2.gz GOXPUAROEXURJX-HNNXBMFYSA-N 2 0 326.444 3.009 10 0 EGAERP CN1C(=O)c2ccccc2[C@@H]1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000527810051 459745357 /nfs/dbraw/zinc/74/53/57/459745357.db2.gz WDKABMPIPGVAOB-NRFANRHFSA-N 2 0 349.478 3.068 10 0 EGAERP CCC[N@@H+]1CC[C@H](CN[C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849971 459758074 /nfs/dbraw/zinc/75/80/74/459758074.db2.gz JPLZXCRNNABCCR-DLBZAZTESA-N 2 0 326.488 3.470 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527924198 459774202 /nfs/dbraw/zinc/77/42/02/459774202.db2.gz HOEJFJJFOCNOKG-ICSRJNTNSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(I)cc1 ZINC000593321002 459840632 /nfs/dbraw/zinc/84/06/32/459840632.db2.gz WIDWQJFKERULQA-NSHDSACASA-N 2 0 344.240 3.071 10 0 EGAERP CC(C)C[N@H+](C)CCC[NH2+]C1CCC(C(=O)OC(C)(C)C)CC1 ZINC000593644316 459939467 /nfs/dbraw/zinc/93/94/67/459939467.db2.gz AZQMNVOZEMIPJJ-UHFFFAOYSA-N 2 0 326.525 3.454 10 0 EGAERP CCO[C@H](C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000625286282 460106402 /nfs/dbraw/zinc/10/64/02/460106402.db2.gz UBJDEEXFYDQELC-HXUWFJFHSA-N 2 0 331.504 3.435 10 0 EGAERP C[C@@H](CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625976885 460322288 /nfs/dbraw/zinc/32/22/88/460322288.db2.gz RMIMQFVIKFBKDD-XULMEBKJSA-N 2 0 340.552 3.206 10 0 EGAERP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000626019899 460340501 /nfs/dbraw/zinc/34/05/01/460340501.db2.gz RAUBQYVUFKFYRT-HXUWFJFHSA-N 2 0 343.515 3.087 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](c3ccc(O)cc3)C2)cc1 ZINC000628481308 460434007 /nfs/dbraw/zinc/43/40/07/460434007.db2.gz XDRBGPUVXUWALF-IBGZPJMESA-N 2 0 340.467 3.322 10 0 EGAERP C[C@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657873 460492424 /nfs/dbraw/zinc/49/24/24/460492424.db2.gz AZKQWFZAHGCKHK-BLLLJJGKSA-N 2 0 330.394 3.059 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1(C)C ZINC000623411954 460534475 /nfs/dbraw/zinc/53/44/75/460534475.db2.gz ROKIUKCOTBRJEY-OAHLLOKOSA-N 2 0 348.878 3.395 10 0 EGAERP C[C@@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421629 460539454 /nfs/dbraw/zinc/53/94/54/460539454.db2.gz TYXKYOFFEGKLJX-MBPVOVBZSA-N 2 0 328.500 3.038 10 0 EGAERP [NH3+]C1(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CCOCC1 ZINC000629519927 460792770 /nfs/dbraw/zinc/79/27/70/460792770.db2.gz IXWAXQJQKDKSQL-LJQANCHMSA-N 2 0 328.431 3.207 10 0 EGAERP CC(C)=CCOc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521027 460792887 /nfs/dbraw/zinc/79/28/87/460792887.db2.gz KSRLUZAXSLUNHC-GOSISDBHSA-N 2 0 346.515 3.450 10 0 EGAERP c1ccc(OCCCCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629673477 460860664 /nfs/dbraw/zinc/86/06/64/460860664.db2.gz PDCBSUWYQXKMQH-OAQYLSRUSA-N 2 0 346.515 3.326 10 0 EGAERP CC[C@H](C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)[NH+](C)C ZINC000617866524 461008777 /nfs/dbraw/zinc/00/87/77/461008777.db2.gz PILZHXGODZAEMS-OAHLLOKOSA-N 2 0 346.500 3.169 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C(F)F)C2CCCCC2)CC1 ZINC000621402124 461022019 /nfs/dbraw/zinc/02/20/19/461022019.db2.gz UCYGJUDXZUYXQG-QGZVFWFLSA-N 2 0 331.495 3.206 10 0 EGAERP CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1ccc3c(c1)C[NH2+]CC3)CC2 ZINC000652341457 461140455 /nfs/dbraw/zinc/14/04/55/461140455.db2.gz RJOHZBNLPGIIMZ-UHFFFAOYSA-N 2 0 334.463 3.136 10 0 EGAERP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251065 461145685 /nfs/dbraw/zinc/14/56/85/461145685.db2.gz XIIBRAWZVIEXHF-SWLSCSKDSA-N 2 0 328.378 3.219 10 0 EGAERP CC(C)([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000662259028 461147072 /nfs/dbraw/zinc/14/70/72/461147072.db2.gz OLTFGCPSEHISIP-GFCCVEGCSA-N 2 0 329.271 3.339 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccccc2Cl)C1 ZINC000652360355 461154913 /nfs/dbraw/zinc/15/49/13/461154913.db2.gz FYUFYSUOEDEEPH-KYJSFNMBSA-N 2 0 338.879 3.080 10 0 EGAERP c1ccc(C[C@@H]2c3ccccc3CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662279511 461162855 /nfs/dbraw/zinc/16/28/55/461162855.db2.gz KUANLRCBOXZTHJ-IFMALSPDSA-N 2 0 348.490 3.350 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]3CN(Cc4cccc5c4CC[NH2+]C5)C[C@H]32)cc1 ZINC000662284080 461164918 /nfs/dbraw/zinc/16/49/18/461164918.db2.gz SUBKDBWHKZIMCT-JTHBVZDNSA-N 2 0 347.506 3.039 10 0 EGAERP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662292633 461169114 /nfs/dbraw/zinc/16/91/14/461169114.db2.gz GNWGJDJXBCRBMP-QGZVFWFLSA-N 2 0 342.462 3.223 10 0 EGAERP Cc1ccccc1-c1nc(C[N@H+]2CCC[C@@H](C)[C@H]2CCC[NH3+])no1 ZINC000662315075 461187716 /nfs/dbraw/zinc/18/77/16/461187716.db2.gz SGQXUTKFYLQJTB-NVXWUHKLSA-N 2 0 328.460 3.384 10 0 EGAERP CC(C)C[C@H](C[NH3+])CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000662355066 461206371 /nfs/dbraw/zinc/20/63/71/461206371.db2.gz CPZWGXHJYUGECL-SFHVURJKSA-N 2 0 345.531 3.300 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)CC(C)C ZINC000662493115 461268310 /nfs/dbraw/zinc/26/83/10/461268310.db2.gz FUICQGFUOLMLLL-HKUYNNGSSA-N 2 0 331.504 3.094 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C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857940 461838822 /nfs/dbraw/zinc/83/88/22/461838822.db2.gz QOGTZIXGLKKBLX-RISCZKNCSA-N 2 0 329.257 3.251 10 0 EGAERP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)CS2 ZINC000647800933 461844043 /nfs/dbraw/zinc/84/40/43/461844043.db2.gz MKPXEMMAEMVFHZ-QBPKDAKJSA-N 2 0 332.513 3.440 10 0 EGAERP CN(c1ccccc1C[NH+]1CC2(CC(F)C2)C1)C1CC[NH+](C)CC1 ZINC000656695304 461845990 /nfs/dbraw/zinc/84/59/90/461845990.db2.gz HEZPILYKSVRSPQ-UHFFFAOYSA-N 2 0 331.479 3.151 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+]CCC[C@H]3CCO3)C3(CCC3)C2)cc1 ZINC000639328727 461862786 /nfs/dbraw/zinc/86/27/86/461862786.db2.gz JMQIILJYJKBZRP-UXHICEINSA-N 2 0 328.500 3.447 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2cc3ccccc3o2)C[C@@]1(C)C[NH3+] ZINC000666983171 461897712 /nfs/dbraw/zinc/89/77/12/461897712.db2.gz WGFLRWSDJBRZDA-JLTOFOAXSA-N 2 0 338.455 3.250 10 0 EGAERP COc1ccc(C[NH2+]CCC2(C[NH3+])CC2)cc1OCc1ccccc1 ZINC000650713343 461907112 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ZINC000658063178 462362890 /nfs/dbraw/zinc/36/28/90/462362890.db2.gz JMJUJJBFMZHMAK-IRXDYDNUSA-N 2 0 327.472 3.476 10 0 EGAERP CC(C)c1nc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cs1 ZINC000658106625 462387387 /nfs/dbraw/zinc/38/73/87/462387387.db2.gz JLCYFJHJLFUQLN-GJZGRUSLSA-N 2 0 326.554 3.189 10 0 EGAERP C[C@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137437 462401076 /nfs/dbraw/zinc/40/10/76/462401076.db2.gz GRESMZXLXUMEIL-QAPCUYQASA-N 2 0 330.497 3.036 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139208 462402435 /nfs/dbraw/zinc/40/24/35/462402435.db2.gz PKTFCVLULKNFKF-FGZHOGPDSA-N 2 0 336.479 3.494 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140641 462403712 /nfs/dbraw/zinc/40/37/12/462403712.db2.gz VSMZLMBCIPXBDS-BEFAXECRSA-N 2 0 330.497 3.474 10 0 EGAERP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139635 462403855 /nfs/dbraw/zinc/40/38/55/462403855.db2.gz QQHMGPWBNYHEIZ-BBRMVZONSA-N 2 0 330.394 3.074 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143127 462405396 /nfs/dbraw/zinc/40/53/96/462405396.db2.gz WUVKJXZGGMUWPT-KBXCAEBGSA-N 2 0 346.421 3.382 10 0 EGAERP CC1(C)C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319088 462474787 /nfs/dbraw/zinc/47/47/87/462474787.db2.gz WWHGBLTWLHAXLT-OALUTQOASA-N 2 0 328.500 3.446 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319089 462475482 /nfs/dbraw/zinc/47/54/82/462475482.db2.gz WWHGBLTWLHAXLT-RBUKOAKNSA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)C[N@H+](C)CCCN[C@@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000652221961 462477278 /nfs/dbraw/zinc/47/72/78/462477278.db2.gz AUTQMGWWOHVOMG-PZJWPPBQSA-N 2 0 347.547 3.016 10 0 EGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339162 462481098 /nfs/dbraw/zinc/48/10/98/462481098.db2.gz QTNZHIJCBZBLIG-IEBWSBKVSA-N 2 0 349.563 3.445 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166422648 527814679 /nfs/dbraw/zinc/81/46/79/527814679.db2.gz HFSOOQROPJCDER-CYBMUJFWSA-N 2 0 348.288 3.429 10 0 EGAERP CCC[C@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000131502830 527971007 /nfs/dbraw/zinc/97/10/07/527971007.db2.gz LQXMIGFLVRQVQX-HXUWFJFHSA-N 2 0 345.531 3.087 10 0 EGAERP CC[NH+](CC)CCCCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000264953466 535501765 /nfs/dbraw/zinc/50/17/65/535501765.db2.gz YILVUYLXOJDJHM-UHFFFAOYSA-N 2 0 331.504 3.134 10 0 EGAERP C[C@@H]([NH2+]Cc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000129179592 546785772 /nfs/dbraw/zinc/78/57/72/546785772.db2.gz UXLCWLPXMNEKQJ-LLVKDONJSA-N 2 0 329.257 3.408 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c(OC[C@H]2CCOC2)c1 ZINC000167222498 546990971 /nfs/dbraw/zinc/99/09/71/546990971.db2.gz SGPXTJNUVILWEP-ROUUACIJSA-N 2 0 346.515 3.230 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C1 ZINC000383697004 547821490 /nfs/dbraw/zinc/82/14/90/547821490.db2.gz ROXMITOBUIGQHZ-FDKIHUSFSA-N 2 0 328.500 3.444 10 0 EGAERP COc1cncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1C ZINC000631035132 548139927 /nfs/dbraw/zinc/13/99/27/548139927.db2.gz BJHUAHNWNFWOBM-UHFFFAOYSA-N 2 0 325.456 3.284 10 0 EGAERP Cc1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000675744343 548972740 /nfs/dbraw/zinc/97/27/40/548972740.db2.gz QHHSDFKKTRCMFD-YJBOKZPZSA-N 2 0 329.513 3.494 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000675749227 548973210 /nfs/dbraw/zinc/97/32/10/548973210.db2.gz UCCKVCHOZDHFLX-CUXKYVRBSA-N 2 0 343.559 3.465 10 0 EGAERP C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000678609027 549531272 /nfs/dbraw/zinc/53/12/72/549531272.db2.gz GAHADDNFFFISJB-JVPBZIDWSA-N 2 0 335.923 3.405 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000684374223 550321128 /nfs/dbraw/zinc/32/11/28/550321128.db2.gz KYQOOKSSMJZPLS-TZIWHRDSSA-N 2 0 346.515 3.454 10 0 EGAERP CC(C)C[C@H](CO)[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470138 550421073 /nfs/dbraw/zinc/42/10/73/550421073.db2.gz BMSRALJLCSSKDH-LJQANCHMSA-N 2 0 334.504 3.000 10 0 EGAERP CC[N@@H+]1CC[C@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)[C@@H](C)C1 ZINC000221870865 564036549 /nfs/dbraw/zinc/03/65/49/564036549.db2.gz XEUIBHBBSPOBQM-PXNSSMCTSA-N 2 0 345.531 3.033 10 0 EGAERP C[N@H+](CCOc1cccc(C[NH2+]Cc2ccoc2)c1)C1CCOCC1 ZINC000728063242 574715998 /nfs/dbraw/zinc/71/59/98/574715998.db2.gz APIIOOUCCIYUHT-UHFFFAOYSA-N 2 0 344.455 3.059 10 0 EGAERP C[C@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000156916388 1294163103 /nfs/dbraw/zinc/16/31/03/1294163103.db2.gz SWDWXRNGRNQDKT-HOTGVXAUSA-N 2 0 329.488 3.194 10 0 EGAERP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000160767387 1294277059 /nfs/dbraw/zinc/27/70/59/1294277059.db2.gz GKGCCIAICJAQGG-NQIIRXRSSA-N 2 0 329.532 3.359 10 0 EGAERP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CC[NH+](C(C)C)CC1 ZINC000161261638 1294288490 /nfs/dbraw/zinc/28/84/90/1294288490.db2.gz WMEQGPFESJWTMV-KRWDZBQOSA-N 2 0 341.540 3.388 10 0 EGAERP COC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1scnc1C)CC2 ZINC000169782606 1294373079 /nfs/dbraw/zinc/37/30/79/1294373079.db2.gz HGWFITHSUXEYKO-MRXNPFEDSA-N 2 0 349.544 3.164 10 0 EGAERP O=C(OC[C@H]1CC[N@@H+]1C1CCCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000870732876 1296050906 /nfs/dbraw/zinc/05/09/06/1296050906.db2.gz KMZPSKQLJGBSPF-LJQANCHMSA-N 2 0 334.504 3.201 10 0 EGAERP C[NH2+]CC1CC[NH+]([C@@H](C)Cc2ccc(Br)cc2)CC1 ZINC000234352798 1296180188 /nfs/dbraw/zinc/18/01/88/1296180188.db2.gz JSEZBBOBJNOYBU-ZDUSSCGKSA-N 2 0 325.294 3.312 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000871358555 1296367318 /nfs/dbraw/zinc/36/73/18/1296367318.db2.gz XMKXZKRCRCJGPT-QPIRBTGLSA-N 2 0 331.504 3.059 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@H]1CCCOC1 ZINC000872032534 1296682769 /nfs/dbraw/zinc/68/27/69/1296682769.db2.gz VXYGVRMECRZNGJ-ACRUOGEOSA-N 2 0 330.516 3.346 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1 ZINC000872048851 1296698926 /nfs/dbraw/zinc/69/89/26/1296698926.db2.gz MTGUQQLGPSXERJ-KBMXLJTQSA-N 2 0 336.442 3.465 10 0 EGAERP Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000872132535 1296756446 /nfs/dbraw/zinc/75/64/46/1296756446.db2.gz GEYDIGOIMUYNNL-ZBFHGGJFSA-N 2 0 328.460 3.137 10 0 EGAERP c1ccc(C[NH+]2CCC(N3CC[NH2+]C[C@@H]3c3ccccc3)CC2)cc1 ZINC000313383468 1297121898 /nfs/dbraw/zinc/12/18/98/1297121898.db2.gz QNEYXDRNJYLXGK-JOCHJYFZSA-N 2 0 335.495 3.298 10 0 EGAERP CC(C)[NH+]1CCC([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401768485 1297741472 /nfs/dbraw/zinc/74/14/72/1297741472.db2.gz ZQYBXVLKLYIDIE-WBVHZDCISA-N 2 0 339.524 3.094 10 0 EGAERP c1ccc(C[N@H+]2CCC[C@H](C[NH2+][C@@H]3CCCC4(C3)OCCO4)C2)cc1 ZINC000712702261 1298266966 /nfs/dbraw/zinc/26/69/66/1298266966.db2.gz QBEBMXZLOCQALI-WOJBJXKFSA-N 2 0 344.499 3.174 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CN(C(=O)OC(C)(C)C)C1 ZINC000715562403 1298282054 /nfs/dbraw/zinc/28/20/54/1298282054.db2.gz OWGJLNDZHQROQN-GYXIZQIFSA-N 2 0 339.524 3.094 10 0 EGAERP CCCCOC[C@@H](O)C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000720040005 1298326021 /nfs/dbraw/zinc/32/60/21/1298326021.db2.gz XCFBJWZZZJRPPG-NRFANRHFSA-N 2 0 348.531 3.008 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+]Cc3cccc4c3CCOC4)C2)cc1 ZINC000883106711 1302252017 /nfs/dbraw/zinc/25/20/17/1302252017.db2.gz BUNWQGCBYCZFLO-LJQANCHMSA-N 2 0 336.479 3.371 10 0 EGAERP CC[C@H](C[C@H](C)CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886534452 1303490161 /nfs/dbraw/zinc/49/01/61/1303490161.db2.gz IYXWOSNHLLLMEA-URZNZNTCSA-N 2 0 330.516 3.426 10 0 EGAERP c1cn2cc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)sc2n1 ZINC000892144413 1305266259 /nfs/dbraw/zinc/26/62/59/1305266259.db2.gz ODPKCHPWSMVERU-UHFFFAOYSA-N 2 0 332.517 3.484 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3[nH]c(=O)[nH]c3c2)CC1 ZINC000893939259 1306136377 /nfs/dbraw/zinc/13/63/77/1306136377.db2.gz COBKOOQHYMZZFJ-UHFFFAOYSA-N 2 0 330.476 3.212 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929685459 1328668076 /nfs/dbraw/zinc/66/80/76/1328668076.db2.gz BGIZEVIMBOLZSP-OAGGEKHMSA-N 2 0 334.426 3.437 10 0 EGAERP C[C@H]1C[C@@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CCN1C ZINC000929779502 1328698218 /nfs/dbraw/zinc/69/82/18/1328698218.db2.gz ANISSMRJOURMQM-YVSFHVDLSA-N 2 0 339.524 3.094 10 0 EGAERP CC(C)Cc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930135881 1328794923 /nfs/dbraw/zinc/79/49/23/1328794923.db2.gz HMYHACDGQNWDIY-SIKLNZKXSA-N 2 0 343.559 3.343 10 0 EGAERP CCc1onc(C)c1C[NH+]1CCC(CCC[N@H+](C)CCOC)CC1 ZINC000930143832 1328797402 /nfs/dbraw/zinc/79/74/02/1328797402.db2.gz AVPRSIQLFDHYSJ-UHFFFAOYSA-N 2 0 337.508 3.116 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000921543264 1322346321 /nfs/dbraw/zinc/34/63/21/1322346321.db2.gz QBTLQCIZFCRIAO-CHWSQXEVSA-N 2 0 343.313 3.020 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376102 1322741919 /nfs/dbraw/zinc/74/19/19/1322741919.db2.gz HVOPOSKTDBULLJ-VHSXEESVSA-N 2 0 333.234 3.162 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923503184 1322763419 /nfs/dbraw/zinc/76/34/19/1322763419.db2.gz HQTGAFZAZXITFQ-IXDOHACOSA-N 2 0 331.504 3.362 10 0 EGAERP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)c1 ZINC000923502899 1322763845 /nfs/dbraw/zinc/76/38/45/1322763845.db2.gz ZXIQCBPJLKYENP-HIFRSBDPSA-N 2 0 331.485 3.235 10 0 EGAERP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923502045 1322764083 /nfs/dbraw/zinc/76/40/83/1322764083.db2.gz WQFXIWCEACXSEW-IMFGXOCKSA-N 2 0 337.467 3.283 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000924679748 1323109934 /nfs/dbraw/zinc/10/99/34/1323109934.db2.gz METOIVKGYVSFAM-VQIMIIECSA-N 2 0 332.488 3.160 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2[C@@H](C)COC[C@H]2C)cc1 ZINC000924691601 1323115297 /nfs/dbraw/zinc/11/52/97/1323115297.db2.gz FQKTWMCTPMSXTH-YRWFTTLQSA-N 2 0 334.504 3.168 10 0 EGAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000924940668 1323223326 /nfs/dbraw/zinc/22/33/26/1323223326.db2.gz OAGBKQUILONLRR-VQTJNVASSA-N 2 0 334.504 3.168 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000924955047 1323227245 /nfs/dbraw/zinc/22/72/45/1323227245.db2.gz ZYWFFXCYUXVZBE-ZJRDLVKKSA-N 2 0 347.572 3.173 10 0 EGAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924965961 1323232606 /nfs/dbraw/zinc/23/26/06/1323232606.db2.gz LCGPRGYNIKCZEO-ZDUSSCGKSA-N 2 0 349.466 3.445 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCOC23CCCCC3)(N2CCCCC2)CC1 ZINC000925155018 1325067431 /nfs/dbraw/zinc/06/74/31/1325067431.db2.gz JNUDJBYNFCTFIS-LJQANCHMSA-N 2 0 349.563 3.018 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215499 1325083044 /nfs/dbraw/zinc/08/30/44/1325083044.db2.gz NGXXSFHZTKYLQV-KRWDZBQOSA-N 2 0 349.588 3.345 10 0 EGAERP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccnn1C1CCC1 ZINC000925438746 1325149990 /nfs/dbraw/zinc/14/99/90/1325149990.db2.gz DOYSGNNFJITENG-BBWFWOEESA-N 2 0 334.508 3.148 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H](c2ccccn2)C2CCC2)C[C@@H](C)O1 ZINC000925440828 1325150068 /nfs/dbraw/zinc/15/00/68/1325150068.db2.gz VOQIPSMMYBXTMF-MBOZVWFJSA-N 2 0 331.504 3.402 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000925478712 1325168635 /nfs/dbraw/zinc/16/86/35/1325168635.db2.gz PCWBHJDXPAEZJQ-CQSZACIVSA-N 2 0 326.366 3.015 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481987 1325170358 /nfs/dbraw/zinc/17/03/58/1325170358.db2.gz PKIICUNHKATGMF-NUEKZKHPSA-N 2 0 331.460 3.200 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925524345 1325189357 /nfs/dbraw/zinc/18/93/57/1325189357.db2.gz RQVUYZGTIRABTO-KBAYOESNSA-N 2 0 332.488 3.220 10 0 EGAERP CC1(C)[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530385 1325193597 /nfs/dbraw/zinc/19/35/97/1325193597.db2.gz KFEZQUXRPACGAC-OWCLPIDISA-N 2 0 347.469 3.017 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533166 1325195486 /nfs/dbraw/zinc/19/54/86/1325195486.db2.gz KKZZAOQZQYHDKM-QZTJIDSGSA-N 2 0 331.504 3.164 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925550347 1325204043 /nfs/dbraw/zinc/20/40/43/1325204043.db2.gz RDVXCQRWMUVVMO-HZPDHXFCSA-N 2 0 334.504 3.477 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000925557396 1325206836 /nfs/dbraw/zinc/20/68/36/1325206836.db2.gz OFIWNFVVQQDRPJ-AQNXPRMDSA-N 2 0 345.531 3.483 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C12CCC2 ZINC000925607611 1325230281 /nfs/dbraw/zinc/23/02/81/1325230281.db2.gz WGNNRIPWXBIBOS-OALUTQOASA-N 2 0 326.440 3.356 10 0 EGAERP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C12CCC2 ZINC000925637879 1325241859 /nfs/dbraw/zinc/24/18/59/1325241859.db2.gz UKUNSDOHBGYIIW-AFDCHOCNSA-N 2 0 339.527 3.147 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000925637865 1325242610 /nfs/dbraw/zinc/24/26/10/1325242610.db2.gz UBIIYZAEFFEUMN-JKSUJKDBSA-N 2 0 346.450 3.304 10 0 EGAERP C[NH+](C)[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925639753 1325243677 /nfs/dbraw/zinc/24/36/77/1325243677.db2.gz DGVKFQBEJPLBPL-JKSUJKDBSA-N 2 0 341.421 3.182 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646080 1325246465 /nfs/dbraw/zinc/24/64/65/1325246465.db2.gz SHTZBJRKPHLGHP-HOTGVXAUSA-N 2 0 347.894 3.225 10 0 EGAERP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925658136 1325252128 /nfs/dbraw/zinc/25/21/28/1325252128.db2.gz NIOXZPJMRDHDDO-MOPGFXCFSA-N 2 0 326.488 3.391 10 0 EGAERP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCO2)nc1 ZINC000925690314 1325262045 /nfs/dbraw/zinc/26/20/45/1325262045.db2.gz UTUNCBYWESPEQA-SOAMZJECSA-N 2 0 329.488 3.060 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C1 ZINC000925717837 1325268537 /nfs/dbraw/zinc/26/85/37/1325268537.db2.gz VELRARZTEQUYJP-AQNXPRMDSA-N 2 0 346.515 3.378 10 0 EGAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000925775918 1325296094 /nfs/dbraw/zinc/29/60/94/1325296094.db2.gz IBUPCXRWQSECFV-UMVBOHGHSA-N 2 0 342.430 3.030 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000925813241 1325312570 /nfs/dbraw/zinc/31/25/70/1325312570.db2.gz UAXHBGRQDCFPHT-OAQYLSRUSA-N 2 0 341.474 3.122 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(F)c1F ZINC000925816749 1325314515 /nfs/dbraw/zinc/31/45/15/1325314515.db2.gz JWMZXQOYGZOJAQ-OAHLLOKOSA-N 2 0 345.437 3.221 10 0 EGAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822229 1325317815 /nfs/dbraw/zinc/31/78/15/1325317815.db2.gz KKPNOYRMPLTKEW-PPXMBRMGSA-N 3 0 329.532 3.332 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841826 1325324262 /nfs/dbraw/zinc/32/42/62/1325324262.db2.gz UEQGHJMEVZRYCH-CEWLAPEOSA-N 2 0 336.483 3.372 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000925843660 1325324569 /nfs/dbraw/zinc/32/45/69/1325324569.db2.gz GCJDIHBJHXHFJR-OAHLLOKOSA-N 2 0 332.517 3.022 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000925850741 1325329125 /nfs/dbraw/zinc/32/91/25/1325329125.db2.gz WDOBSWHQJPLGNK-HNNXBMFYSA-N 2 0 343.437 3.432 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)s1 ZINC000925852805 1325330243 /nfs/dbraw/zinc/33/02/43/1325330243.db2.gz IIUQMANDXUWSMQ-NWDGAFQWSA-N 2 0 342.892 3.128 10 0 EGAERP CCCC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925856362 1325332772 /nfs/dbraw/zinc/33/27/72/1325332772.db2.gz XFELHQUTGLSECQ-ZWKOTPCHSA-N 2 0 330.472 3.193 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1O ZINC000925882394 1325341625 /nfs/dbraw/zinc/34/16/25/1325341625.db2.gz OTECIJJHCGQBMT-GZRFBZBPSA-N 2 0 326.440 3.111 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCN(c3ccccc3)CC2)C1 ZINC000925887733 1325344472 /nfs/dbraw/zinc/34/44/72/1325344472.db2.gz LFCIEXSFSASTGE-GRGXKFILSA-N 2 0 335.495 3.304 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887852 1325344648 /nfs/dbraw/zinc/34/46/48/1325344648.db2.gz NYFBXQFWODWRSZ-BSIFCXSSSA-N 2 0 337.467 3.052 10 0 EGAERP CNC(=O)C[C@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926347299 1325522968 /nfs/dbraw/zinc/52/29/68/1325522968.db2.gz YPXPJDGOWATPIE-JXFKEZNVSA-N 2 0 339.483 3.276 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCCC[C@@H]2CCCO)[C@H](c2ccccc2)C1 ZINC000926634136 1327645715 /nfs/dbraw/zinc/64/57/15/1327645715.db2.gz DNPXXUKKIVKDQD-CGXNFDGLSA-N 2 0 330.516 3.253 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H](C2CC2)C2CCOCC2)[C@H](c2ccccc2)C1 ZINC000926636425 1327646076 /nfs/dbraw/zinc/64/60/76/1327646076.db2.gz VGTCMCMUBIUVAD-QHAWAJNXSA-N 2 0 328.500 3.127 10 0 EGAERP C[C@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926643430 1327649635 /nfs/dbraw/zinc/64/96/35/1327649635.db2.gz ADPVHZMYKDTKKA-HTAPYJJXSA-N 2 0 338.495 3.275 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccnn1C1CCC1 ZINC000926675107 1327661618 /nfs/dbraw/zinc/66/16/18/1327661618.db2.gz IINZTGYCWXOAQT-MRXNPFEDSA-N 2 0 346.519 3.150 10 0 EGAERP O[C@@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000926712707 1327678997 /nfs/dbraw/zinc/67/89/97/1327678997.db2.gz IIIHDPDWGCXBHP-KKURMSBHSA-N 2 0 340.511 3.465 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926748991 1327697173 /nfs/dbraw/zinc/69/71/73/1327697173.db2.gz WPMHUEBFMVDUEE-CZUORRHYSA-N 2 0 340.393 3.399 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc(C[NH+](C)C)c1 ZINC000926766713 1327707075 /nfs/dbraw/zinc/70/70/75/1327707075.db2.gz ZWGXHERXRCSQTQ-MGPUTAFESA-N 2 0 337.467 3.226 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000926776751 1327711572 /nfs/dbraw/zinc/71/15/72/1327711572.db2.gz FSTNRIFEFUFALZ-NRDMVMEKSA-N 2 0 330.516 3.405 10 0 EGAERP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@@H]1Cc1ccccn1)c1cccnc1 ZINC000926902563 1327766129 /nfs/dbraw/zinc/76/61/29/1327766129.db2.gz YWNJDYVLMWTJNY-UIFIKXQLSA-N 2 0 338.499 3.470 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnnn1-c1ccccc1 ZINC000927036472 1327826490 /nfs/dbraw/zinc/82/64/90/1327826490.db2.gz HTEBQKBPQSJHCJ-ZRZPHAQCSA-N 2 0 339.487 3.325 10 0 EGAERP CCc1onc(C)c1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000927138135 1327885895 /nfs/dbraw/zinc/88/58/95/1327885895.db2.gz CSLUWKYFWFVOTK-AWEZNQCLSA-N 2 0 331.460 3.337 10 0 EGAERP COc1ccc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000863548474 1329562600 /nfs/dbraw/zinc/56/26/00/1329562600.db2.gz XQNXHFHXQOVGIA-ABSDTBQOSA-N 2 0 345.531 3.472 10 0 EGAERP CC(C)COC(=O)N1CCC([NH2+]C2CCC(C)([NH+](C)C)CC2)CC1 ZINC000865764807 1329736225 /nfs/dbraw/zinc/73/62/25/1329736225.db2.gz CNQSERCXGMPQLM-UHFFFAOYSA-N 2 0 339.524 3.096 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cnn(C(C)(C)C)c2)(c2ccccc2)CC1 ZINC000865773530 1329736930 /nfs/dbraw/zinc/73/69/30/1329736930.db2.gz BXESVAKZGZLVRG-UHFFFAOYSA-N 2 0 340.515 3.391 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000866279318 1330089773 /nfs/dbraw/zinc/08/97/73/1330089773.db2.gz PNOMUJAKRPHOKD-MGPUTAFESA-N 2 0 333.495 3.065 10 0 EGAERP COC(=O)COc1ccccc1[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518253 1330121429 /nfs/dbraw/zinc/12/14/29/1330121429.db2.gz VVQUWULGEBPLBL-SHPPYHEDSA-N 2 0 348.487 3.152 10 0 EGAERP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866706775 1330143559 /nfs/dbraw/zinc/14/35/59/1330143559.db2.gz RDUDYGSHFGDWAZ-OAQYLSRUSA-N 2 0 345.531 3.269 10 0 EGAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868188469 1330260512 /nfs/dbraw/zinc/26/05/12/1330260512.db2.gz WSRZPDNHJWKXAS-AYOQOUSVSA-N 2 0 344.503 3.135 10 0 EGAERP CC(C)[NH+](CCCNC(=O)NC1CCC(C)([NH+](C)C)CC1)C(C)C ZINC000868380084 1330275347 /nfs/dbraw/zinc/27/53/47/1330275347.db2.gz QHQZAIFZXLQOTE-UHFFFAOYSA-N 2 0 340.556 3.057 10 0 EGAERP C[C@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001323083253 1387285423 /nfs/dbraw/zinc/28/54/23/1387285423.db2.gz YJTJLMAVTUZJCQ-YLJYHZDGSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1)c1ccc(Cl)cc1 ZINC001323459928 1387373219 /nfs/dbraw/zinc/37/32/19/1387373219.db2.gz OIKLKVFHSYHIEJ-CQSZACIVSA-N 2 0 349.906 3.124 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001323569317 1387391759 /nfs/dbraw/zinc/39/17/59/1387391759.db2.gz ZRLDXLIZFLUUJV-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC([N@H+](CC2CC2)CC2CCCC2)CC1 ZINC001323734002 1387435446 /nfs/dbraw/zinc/43/54/46/1387435446.db2.gz RFZWFSMWRWXPKD-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CN(C)[C@H](C(=O)N(C)C1C[NH+](CCCC2CCC2)C1)c1ccccc1 ZINC001324031066 1387514443 /nfs/dbraw/zinc/51/44/43/1387514443.db2.gz VBQBUHHRRSYHJJ-FQEVSTJZSA-N 2 0 343.515 3.012 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CCCC[NH+](C)C ZINC001324097604 1387540325 /nfs/dbraw/zinc/54/03/25/1387540325.db2.gz LNHBZXAXWCLNDB-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001324100400 1387542787 /nfs/dbraw/zinc/54/27/87/1387542787.db2.gz XGQQSPAPPLIMAE-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP O=C(N[C@H](C[NH2+]CC1CC1)C1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001324484358 1387642846 /nfs/dbraw/zinc/64/28/46/1387642846.db2.gz WWOVRUKPLMHJHD-UXHICEINSA-N 2 0 347.547 3.068 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001324632895 1387710196 /nfs/dbraw/zinc/71/01/96/1387710196.db2.gz OTJQDRPNCCPEDZ-ROUKRRSUSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001324750101 1387760164 /nfs/dbraw/zinc/76/01/64/1387760164.db2.gz FBUJTBHVTCVUCS-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001324741831 1387759063 /nfs/dbraw/zinc/75/90/63/1387759063.db2.gz OEEKCRPBOYFHLL-XLIONFOSSA-N 2 0 337.552 3.125 10 0 EGAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cccc(C(C)(C)C)c2)CC1 ZINC001195234447 1368405042 /nfs/dbraw/zinc/40/50/42/1368405042.db2.gz PKEAYTZJFZKVQC-UHFFFAOYSA-N 2 0 331.548 3.490 10 0 EGAERP CC(C)C[N@H+](C[C@@H](C)NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001197193940 1368762655 /nfs/dbraw/zinc/76/26/55/1368762655.db2.gz HJSCJJHCTRNLBC-MRXNPFEDSA-N 2 0 341.540 3.199 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001325942133 1388093835 /nfs/dbraw/zinc/09/38/35/1388093835.db2.gz HEGPPJBLBNGCEQ-SLFFLAALSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CCCC3)C2)C1 ZINC001326337474 1388158810 /nfs/dbraw/zinc/15/88/10/1388158810.db2.gz GBFRTSLVVMRTBL-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])cc2)C1 ZINC001326372403 1388169595 /nfs/dbraw/zinc/16/95/95/1388169595.db2.gz YFVLCFUKXXVLHO-MNEFBYGVSA-N 2 0 329.488 3.375 10 0 EGAERP CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001326459289 1388199511 /nfs/dbraw/zinc/19/95/11/1388199511.db2.gz ZTOUVABMMIDMCC-UHFFFAOYSA-N 2 0 345.531 3.265 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001123658350 1372544653 /nfs/dbraw/zinc/54/46/53/1372544653.db2.gz JLNIYNVLRRLGOG-RLLQIKCJSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001326512634 1388225526 /nfs/dbraw/zinc/22/55/26/1388225526.db2.gz JLNRJELRKGLSSW-CADBVGFASA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001326512854 1388225654 /nfs/dbraw/zinc/22/56/54/1388225654.db2.gz NGDHYZXPPIFWKZ-GUDVDZBRSA-N 2 0 337.552 3.170 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001265026114 1377145446 /nfs/dbraw/zinc/14/54/46/1377145446.db2.gz TXRDDPJJXJBEER-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001265978431 1377174981 /nfs/dbraw/zinc/17/49/81/1377174981.db2.gz NDAULGUMLQZRIX-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](CC1=CCCCC1)C1CC1 ZINC001266174726 1377216990 /nfs/dbraw/zinc/21/69/90/1377216990.db2.gz SCIGESOIPYGVHM-HDICACEKSA-N 2 0 347.547 3.330 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001266204051 1377227828 /nfs/dbraw/zinc/22/78/28/1377227828.db2.gz PGASWGBPZJHPCW-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266222626 1377234690 /nfs/dbraw/zinc/23/46/90/1377234690.db2.gz DRICZYMVEHSALA-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361256 1377296126 /nfs/dbraw/zinc/29/61/26/1377296126.db2.gz JXTIZOHODFOVQQ-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001266625077 1377349648 /nfs/dbraw/zinc/34/96/48/1377349648.db2.gz XHTGCTVFODATDW-MISYRCLQSA-N 2 0 349.563 3.458 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)o1 ZINC001266735220 1377369881 /nfs/dbraw/zinc/36/98/81/1377369881.db2.gz KECIWHCIOHFNKR-IYBDPMFKSA-N 2 0 349.519 3.408 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267070836 1377409937 /nfs/dbraw/zinc/40/99/37/1377409937.db2.gz QBOUPPTZBJPTED-MNVMYWNISA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001267086169 1377411205 /nfs/dbraw/zinc/41/12/05/1377411205.db2.gz MUNPZIHMQCYHFE-RBUKOAKNSA-N 2 0 347.547 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267181331 1377426949 /nfs/dbraw/zinc/42/69/49/1377426949.db2.gz ITXBNJPSIYSHJL-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CCCCC1 ZINC001267256541 1377433746 /nfs/dbraw/zinc/43/37/46/1377433746.db2.gz AJZUIQONDPGDQZ-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267912409 1377476914 /nfs/dbraw/zinc/47/69/14/1377476914.db2.gz JWHRIJIWMTUXIC-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001267943356 1377479617 /nfs/dbraw/zinc/47/96/17/1377479617.db2.gz KEDKIKCYKBEUAN-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001267971050 1377481316 /nfs/dbraw/zinc/48/13/16/1377481316.db2.gz XJHMSQKUNCXDLI-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001268182200 1377490890 /nfs/dbraw/zinc/49/08/90/1377490890.db2.gz UGBYOCNZNMDCGJ-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001268194509 1377491334 /nfs/dbraw/zinc/49/13/34/1377491334.db2.gz YSZISAKCGWSZSF-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001270982296 1377620550 /nfs/dbraw/zinc/62/05/50/1377620550.db2.gz HPIVOCMFEQYSAB-TZIWHRDSSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275768385 1378156308 /nfs/dbraw/zinc/15/63/08/1378156308.db2.gz OFVBWLUJEOHXCM-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001327492645 1388535003 /nfs/dbraw/zinc/53/50/03/1388535003.db2.gz MBZBZWXMPJKDNR-IRXDYDNUSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001279592315 1378316081 /nfs/dbraw/zinc/31/60/81/1378316081.db2.gz WNNIZXHCXZZSNW-KRWDZBQOSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](CC)CC=C(C)C)CC1 ZINC001281834198 1378455379 /nfs/dbraw/zinc/45/53/79/1378455379.db2.gz WSSOAQRQHODHSS-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001327540272 1388555470 /nfs/dbraw/zinc/55/54/70/1388555470.db2.gz ICDVULSXTWKDCY-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282663186 1378532374 /nfs/dbraw/zinc/53/23/74/1378532374.db2.gz AABGJTCWNNIJCK-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282678380 1378549922 /nfs/dbraw/zinc/54/99/22/1378549922.db2.gz RTXLBCVCNUMYLD-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001282678161 1378550668 /nfs/dbraw/zinc/55/06/68/1378550668.db2.gz ONOSBOFDHWTQRA-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CCC[NH2+]Cc1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001283213230 1378761305 /nfs/dbraw/zinc/76/13/05/1378761305.db2.gz BLSREZSCAPTSBC-INIZCTEOSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@H](C)C3)cc2C1 ZINC001327694762 1388584097 /nfs/dbraw/zinc/58/40/97/1388584097.db2.gz CALYZWCYGAMPJR-SJORKVTESA-N 2 0 343.515 3.006 10 0 EGAERP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001327694756 1388584386 /nfs/dbraw/zinc/58/43/86/1388584386.db2.gz CALYZWCYGAMPJR-DLBZAZTESA-N 2 0 343.515 3.006 10 0 EGAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C\c1ccccc1 ZINC001283616897 1379055437 /nfs/dbraw/zinc/05/54/37/1379055437.db2.gz BVUZWIYYEMWBHU-PJKWBFRZSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001283668110 1379096836 /nfs/dbraw/zinc/09/68/36/1379096836.db2.gz YMCBOEWGXTWRPW-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001284019301 1379368149 /nfs/dbraw/zinc/36/81/49/1379368149.db2.gz XQGXAXVGQNFDOU-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@@H]1[N@H+](CCCC(C)(C)C)CC2 ZINC001284055818 1379406129 /nfs/dbraw/zinc/40/61/29/1379406129.db2.gz CITJDGAGHCOXAJ-UWVAXJGDSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001284097725 1379465182 /nfs/dbraw/zinc/46/51/82/1379465182.db2.gz TWUYUIPSXSLFAL-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001284130838 1379511381 /nfs/dbraw/zinc/51/13/81/1379511381.db2.gz XTPUGCFLCYLJAS-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001284155462 1379551968 /nfs/dbraw/zinc/55/19/68/1379551968.db2.gz VBSUTXPRZLASFE-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001284292413 1379680834 /nfs/dbraw/zinc/68/08/34/1379680834.db2.gz GFNXYHGCUNMOBH-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001284310689 1379699916 /nfs/dbraw/zinc/69/99/16/1379699916.db2.gz RXKRSPWENVZXBD-IBGZPJMESA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccc(F)cc1 ZINC001284312283 1379702194 /nfs/dbraw/zinc/70/21/94/1379702194.db2.gz GMTMLZPUYKEFGB-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001327937973 1388627530 /nfs/dbraw/zinc/62/75/30/1388627530.db2.gz BDIRKJITGSOMAS-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001327957062 1388633497 /nfs/dbraw/zinc/63/34/97/1388633497.db2.gz HRARIKURCURHMW-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@H]2CCC[NH+]2C)C(C)C)cc1C ZINC001284530814 1379937271 /nfs/dbraw/zinc/93/72/71/1379937271.db2.gz ZYBABUYSTWCQPA-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001284558489 1379967542 /nfs/dbraw/zinc/96/75/42/1379967542.db2.gz MTPRAJKHGFCHHF-QZTJIDSGSA-N 2 0 339.568 3.464 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001327995772 1388640744 /nfs/dbraw/zinc/64/07/44/1388640744.db2.gz NZQRLDQZJILMRX-MSOLQXFVSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327995137 1388640810 /nfs/dbraw/zinc/64/08/10/1388640810.db2.gz HKKMCLAXEHVEBK-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001284643399 1380051011 /nfs/dbraw/zinc/05/10/11/1380051011.db2.gz SPEIKYOJKOPLFF-SFHVURJKSA-N 2 0 337.552 3.194 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001284683937 1380094133 /nfs/dbraw/zinc/09/41/33/1380094133.db2.gz IKVVGYCVBXOQJX-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001284702844 1380118475 /nfs/dbraw/zinc/11/84/75/1380118475.db2.gz XNHXVEMMWCXQEH-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001328049428 1388653948 /nfs/dbraw/zinc/65/39/48/1388653948.db2.gz FXKFMKAHYXNTCU-XXCOWLKOSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001284976359 1380335168 /nfs/dbraw/zinc/33/51/68/1380335168.db2.gz FIOZOIXBGGJPOV-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001328101338 1388672404 /nfs/dbraw/zinc/67/24/04/1388672404.db2.gz FCHBYSDWVTVRHE-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC001158610112 1381319070 /nfs/dbraw/zinc/31/90/70/1381319070.db2.gz OBLNYBVKBJXCMX-RBUKOAKNSA-N 2 0 333.520 3.162 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001328282840 1388714570 /nfs/dbraw/zinc/71/45/70/1388714570.db2.gz IVXQYJOXPBKSDO-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC001292582852 1382204459 /nfs/dbraw/zinc/20/44/59/1382204459.db2.gz POMRXZJEWIUCTK-ZWKOTPCHSA-N 2 0 339.568 3.323 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001292851388 1382220543 /nfs/dbraw/zinc/22/05/43/1382220543.db2.gz XXVVDHZZTLXLNE-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](CC(C)C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001328579176 1388780610 /nfs/dbraw/zinc/78/06/10/1388780610.db2.gz UJTLVNTZQKQGOL-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](COCc1ccccc1)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041506 1384079992 /nfs/dbraw/zinc/07/99/92/1384079992.db2.gz VIXCYDRSMCUUAH-RTBURBONSA-N 2 0 339.483 3.445 10 0 EGAERP COc1ccc([C@@H](C)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001308073397 1384086564 /nfs/dbraw/zinc/08/65/64/1384086564.db2.gz PZCSDWMQXNBFKN-INIZCTEOSA-N 2 0 332.488 3.032 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001328961779 1388910245 /nfs/dbraw/zinc/91/02/45/1388910245.db2.gz XILQYAJFLAKCHY-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001316650461 1384505646 /nfs/dbraw/zinc/50/56/46/1384505646.db2.gz HKNUZLHGTBPEAK-XMTFNYHQSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668676 1384513190 /nfs/dbraw/zinc/51/31/90/1384513190.db2.gz JUPLDZCKDMHBGS-ZWKOTPCHSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001316718101 1384536044 /nfs/dbraw/zinc/53/60/44/1384536044.db2.gz APKQDKNODDINGT-QQEKUCNNSA-N 2 0 349.563 3.288 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001316782253 1384579082 /nfs/dbraw/zinc/57/90/82/1384579082.db2.gz AEKPPNLACLJORV-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001316812597 1384612286 /nfs/dbraw/zinc/61/22/86/1384612286.db2.gz ZEZRZAHEXCETLE-QGZVFWFLSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CCCCCC1 ZINC001316826061 1384619413 /nfs/dbraw/zinc/61/94/13/1384619413.db2.gz XJWGVPRWXACAAV-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001316850708 1384639563 /nfs/dbraw/zinc/63/95/63/1384639563.db2.gz IDBPEIDHEJDPAO-HKUYNNGSSA-N 2 0 345.531 3.144 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001316855834 1384643352 /nfs/dbraw/zinc/64/33/52/1384643352.db2.gz AUNIPWYWBLZFAI-IBGZPJMESA-N 2 0 345.531 3.226 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001316915454 1384685369 /nfs/dbraw/zinc/68/53/69/1384685369.db2.gz XXCTUAWXYFRHOJ-XLIONFOSSA-N 2 0 343.515 3.121 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001316936910 1384708477 /nfs/dbraw/zinc/70/84/77/1384708477.db2.gz IJPXAWKBPVSLBH-KRWDZBQOSA-N 2 0 331.504 3.011 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317045961 1384821456 /nfs/dbraw/zinc/82/14/56/1384821456.db2.gz TZJDBVAEHSRZLH-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001317047018 1384822946 /nfs/dbraw/zinc/82/29/46/1384822946.db2.gz FFDWKCQCCSDUCG-IVCWSTDESA-N 2 0 347.547 3.282 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@H]21 ZINC001317105124 1384868379 /nfs/dbraw/zinc/86/83/79/1384868379.db2.gz LBZGVQZXYOKXCS-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317141783 1384909795 /nfs/dbraw/zinc/90/97/95/1384909795.db2.gz VTOFJWFXESVYFL-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317142356 1384910692 /nfs/dbraw/zinc/91/06/92/1384910692.db2.gz AUTYRQIEKYRGBH-VOFKWLDRSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001317142704 1384911622 /nfs/dbraw/zinc/91/16/22/1384911622.db2.gz GHKHKWGBEXPQBR-PMACEKPBSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317148123 1384914956 /nfs/dbraw/zinc/91/49/56/1384914956.db2.gz BGTVHXFNVIKBLT-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CCC2=CCCCC2)C1 ZINC001317175469 1384947465 /nfs/dbraw/zinc/94/74/65/1384947465.db2.gz CGNMRBZYIJBUPW-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001317288106 1385060948 /nfs/dbraw/zinc/06/09/48/1385060948.db2.gz FOUIHFCFNUHUCP-DLBZAZTESA-N 2 0 331.504 3.061 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317332212 1385086289 /nfs/dbraw/zinc/08/62/89/1385086289.db2.gz VAOSWLOMTNMDFG-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001317422814 1385130105 /nfs/dbraw/zinc/13/01/05/1385130105.db2.gz JFPWQFBFGGARDD-INIZCTEOSA-N 2 0 337.533 3.194 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1sccc1C[NH+](C)C ZINC001317422816 1385130509 /nfs/dbraw/zinc/13/05/09/1385130509.db2.gz JFPWQFBFGGARDD-MRXNPFEDSA-N 2 0 337.533 3.194 10 0 EGAERP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC001175211414 1385222063 /nfs/dbraw/zinc/22/20/63/1385222063.db2.gz ODPIFGMDBTZPLR-UHFFFAOYSA-N 2 0 338.499 3.489 10 0 EGAERP O=C(CC[N@H+]1CC[C@H](F)C1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175490704 1385308738 /nfs/dbraw/zinc/30/87/38/1385308738.db2.gz HJSNIDBHIBVNNO-KRWDZBQOSA-N 2 0 333.451 3.045 10 0 EGAERP CC1(C)CC(C[N@H+](CCNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)C2CC2)C1 ZINC001317553020 1385314366 /nfs/dbraw/zinc/31/43/66/1385314366.db2.gz DRTVTXCJGCNUQN-OALUTQOASA-N 2 0 347.547 3.020 10 0 EGAERP C[N@H+](CCCC[NH+]1CCCCC1)CC(=O)N(C1CC1)C1CCCC1 ZINC001175687705 1385375081 /nfs/dbraw/zinc/37/50/81/1385375081.db2.gz KSCBQOCQFKYHNW-UHFFFAOYSA-N 2 0 335.536 3.118 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CCC3CC3)CC2)C1 ZINC001317678750 1385386954 /nfs/dbraw/zinc/38/69/54/1385386954.db2.gz ULYUWCVAOQZDKB-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)CC1CCCCC1 ZINC001317702142 1385408069 /nfs/dbraw/zinc/40/80/69/1385408069.db2.gz RMBDGZHDFJZWNL-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001317760166 1385449652 /nfs/dbraw/zinc/44/96/52/1385449652.db2.gz ZULQLDVOMJJJLG-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317861962 1385546307 /nfs/dbraw/zinc/54/63/07/1385546307.db2.gz FTZKZCGXQFXARM-IBGZPJMESA-N 2 0 345.531 3.332 10 0 EGAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318531571 1385740359 /nfs/dbraw/zinc/74/03/59/1385740359.db2.gz VDSOLMDLPAVBCY-QZTJIDSGSA-N 2 0 345.531 3.333 10 0 EGAERP CC[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCC(C)C ZINC001318568620 1385762096 /nfs/dbraw/zinc/76/20/96/1385762096.db2.gz BEFQNIXBLUOQEM-APWZRJJASA-N 2 0 343.531 3.120 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001318896123 1385872557 /nfs/dbraw/zinc/87/25/57/1385872557.db2.gz SISWAONACQNBHL-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001318897151 1385873666 /nfs/dbraw/zinc/87/36/66/1385873666.db2.gz YCWQTALKFWVDBW-HMECNJMJSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319093076 1385958954 /nfs/dbraw/zinc/95/89/54/1385958954.db2.gz MAAPSIKVCFTDDM-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319132415 1385970882 /nfs/dbraw/zinc/97/08/82/1385970882.db2.gz LLHSVWVGORPHFM-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CC[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001177531846 1385987669 /nfs/dbraw/zinc/98/76/69/1385987669.db2.gz HKDDULHINXMSQW-GOSISDBHSA-N 2 0 343.515 3.086 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1)[NH+](C)C ZINC001319362735 1386080472 /nfs/dbraw/zinc/08/04/72/1386080472.db2.gz XSABVIXMAKNXOS-KRWDZBQOSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001319377972 1386091554 /nfs/dbraw/zinc/09/15/54/1386091554.db2.gz RRYHDMRYVOYGAG-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)cc1 ZINC001319524603 1386159687 /nfs/dbraw/zinc/15/96/87/1386159687.db2.gz HFNCAQUSHAVXQF-DLBZAZTESA-N 2 0 333.520 3.259 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001319541813 1386169846 /nfs/dbraw/zinc/16/98/46/1386169846.db2.gz WWEMOQBTJUWYJM-AZUAARDMSA-N 2 0 345.531 3.194 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001319690139 1386253299 /nfs/dbraw/zinc/25/32/99/1386253299.db2.gz ICHZBWHJOHEXOD-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698636945 1406283060 /nfs/dbraw/zinc/28/30/60/1406283060.db2.gz YZAGYTCMCWDJNF-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001319777524 1386292519 /nfs/dbraw/zinc/29/25/19/1386292519.db2.gz HZHDFLDGTUJTQI-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001319788444 1386296125 /nfs/dbraw/zinc/29/61/25/1386296125.db2.gz NSFDWRKDHQZLAS-HKUYNNGSSA-N 2 0 349.494 3.027 10 0 EGAERP CC1CC(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+]2CCCCC2)C1 ZINC001319789808 1386297395 /nfs/dbraw/zinc/29/73/95/1386297395.db2.gz DHOFUQLNKJHJEP-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCCC(C)(C)C ZINC001319861562 1386340741 /nfs/dbraw/zinc/34/07/41/1386340741.db2.gz QAIZFXODUSOBTI-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001319865088 1386344234 /nfs/dbraw/zinc/34/42/34/1386344234.db2.gz QWYYCCLPTMXXQK-QUCCMNQESA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319888323 1386364325 /nfs/dbraw/zinc/36/43/25/1386364325.db2.gz NYFAWHXNWPEAEA-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1cc2ccccc2s1 ZINC001320091363 1386505969 /nfs/dbraw/zinc/50/59/69/1386505969.db2.gz ULBYZYXWXFUDHZ-UHFFFAOYSA-N 2 0 347.528 3.132 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccccc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001320644684 1386677550 /nfs/dbraw/zinc/67/75/50/1386677550.db2.gz MPDCPXOQBAANLM-KRWDZBQOSA-N 2 0 339.483 3.046 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320892082 1386750228 /nfs/dbraw/zinc/75/02/28/1386750228.db2.gz YRSNARHQFZUAET-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1F ZINC001321250418 1386856902 /nfs/dbraw/zinc/85/69/02/1386856902.db2.gz NNQVAJGOUSPKPQ-ROJDOSBLSA-N 2 0 349.494 3.127 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001321663556 1386953033 /nfs/dbraw/zinc/95/30/33/1386953033.db2.gz QPIFDYDNRZIXJS-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001321663593 1386953257 /nfs/dbraw/zinc/95/32/57/1386953257.db2.gz RYQPRRQFIFHABV-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001321680232 1386955307 /nfs/dbraw/zinc/95/53/07/1386955307.db2.gz ANRVLEINWNGNPX-QGZVFWFLSA-N 2 0 343.515 3.347 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001698684415 1406331916 /nfs/dbraw/zinc/33/19/16/1406331916.db2.gz IJRIAEFRORVQMJ-VQTJNVASSA-N 2 0 347.547 3.047 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001322087355 1387049310 /nfs/dbraw/zinc/04/93/10/1387049310.db2.gz HNOYNOCCBMOQNP-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCCC(C)(C)C ZINC001322168395 1387085295 /nfs/dbraw/zinc/08/52/95/1387085295.db2.gz IVIGFXLWIUDDAD-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001322359442 1387169650 /nfs/dbraw/zinc/16/96/50/1387169650.db2.gz JUTWIPRJFBXVPV-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001698712099 1406354227 /nfs/dbraw/zinc/35/42/27/1406354227.db2.gz QGXPTPJCIAIATC-WGSAOQKQSA-N 2 0 337.552 3.316 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC1=CCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001329355796 1389072838 /nfs/dbraw/zinc/07/28/38/1389072838.db2.gz CXZMPIWOGLGGLI-IBGZPJMESA-N 2 0 349.563 3.293 10 0 EGAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001329593047 1389173137 /nfs/dbraw/zinc/17/31/37/1389173137.db2.gz XLRGCGSHSYJLCX-OXQOHEQNSA-N 2 0 341.499 3.117 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[NH2+][C@@H]1CC[NH2+]CC(C)(C)C1 ZINC001329701056 1389204523 /nfs/dbraw/zinc/20/45/23/1389204523.db2.gz FVEUEDQMPWJAGW-OAHLLOKOSA-N 2 0 336.549 3.310 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001698720569 1406366481 /nfs/dbraw/zinc/36/64/81/1406366481.db2.gz AFWGESFHKRBRAM-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC001329952989 1389271948 /nfs/dbraw/zinc/27/19/48/1389271948.db2.gz NQGFMUCPVAHGPS-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001698727254 1406378584 /nfs/dbraw/zinc/37/85/84/1406378584.db2.gz YWNWOJJVZCARPC-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698730052 1406379659 /nfs/dbraw/zinc/37/96/59/1406379659.db2.gz TZXABIBLMKZNED-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001331017212 1389599048 /nfs/dbraw/zinc/59/90/48/1389599048.db2.gz XOFBCILVYPFDSY-RURPWVQCSA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001331549277 1389795685 /nfs/dbraw/zinc/79/56/85/1389795685.db2.gz WPFVELBWKSEWJZ-OXQOHEQNSA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332014287 1389945874 /nfs/dbraw/zinc/94/58/74/1389945874.db2.gz JRGQQCNQKDIWCU-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001332206562 1390042910 /nfs/dbraw/zinc/04/29/10/1390042910.db2.gz OOVCGAOHLJVVHZ-XDIYQJDNSA-N 2 0 337.552 3.290 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCc2cncn2C)[C@H]1C ZINC001332221563 1390054569 /nfs/dbraw/zinc/05/45/69/1390054569.db2.gz YXQJDKZTBYKPII-JISXSJDESA-N 2 0 346.519 3.068 10 0 EGAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001332719848 1390166883 /nfs/dbraw/zinc/16/68/83/1390166883.db2.gz FGFUQVVADVXGLC-UHFFFAOYSA-N 2 0 325.541 3.076 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C(C)(C)C)C1 ZINC001332897249 1390211327 /nfs/dbraw/zinc/21/13/27/1390211327.db2.gz ASVRGGVAWMMSRV-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333182360 1390263302 /nfs/dbraw/zinc/26/33/02/1390263302.db2.gz YZMQYZBVVSAMFK-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001333417289 1390298938 /nfs/dbraw/zinc/29/89/38/1390298938.db2.gz NDZGUQLYBSKZIX-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP c1ccc2c(c1)CC[C@@H](C[NH+]1CCC([NH2+]C3CCOCC3)CC1)C2 ZINC001333733194 1390387164 /nfs/dbraw/zinc/38/71/64/1390387164.db2.gz CMOXWGSYSBQMNI-QGZVFWFLSA-N 2 0 328.500 3.025 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001479259807 1392200111 /nfs/dbraw/zinc/20/01/11/1392200111.db2.gz CLYCDXGXKGXWSU-PKOBYXMFSA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001479348182 1392222197 /nfs/dbraw/zinc/22/21/97/1392222197.db2.gz NXWAQDJNCNYJAJ-ZCNNSNEGSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001479471133 1392250379 /nfs/dbraw/zinc/25/03/79/1392250379.db2.gz KIZVCHYUTUXNDQ-TXPKVOOTSA-N 2 0 349.494 3.103 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001479495604 1392257345 /nfs/dbraw/zinc/25/73/45/1392257345.db2.gz RDIUENXFFGAYHF-WSTZPKSXSA-N 2 0 345.531 3.271 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479523520 1392268036 /nfs/dbraw/zinc/26/80/36/1392268036.db2.gz FQSYGJYGQLIXBF-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC[N@@H+]1CCCC(C)(C)C ZINC001479636423 1392298970 /nfs/dbraw/zinc/29/89/70/1392298970.db2.gz ZDQYNLYNAKSHLG-ZJPYXAASSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001479687641 1392319853 /nfs/dbraw/zinc/31/98/53/1392319853.db2.gz KNYPKBLJPPDSQT-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001479711120 1392333164 /nfs/dbraw/zinc/33/31/64/1392333164.db2.gz FVHCSGMVQKMZOO-QYZOEREBSA-N 2 0 337.552 3.122 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001479737890 1392350949 /nfs/dbraw/zinc/35/09/49/1392350949.db2.gz POAMBQIIUBHWNE-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CC2(CCC2)C1 ZINC001479778675 1392382506 /nfs/dbraw/zinc/38/25/06/1392382506.db2.gz XDLWFCUSZICVRD-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479823632 1392413091 /nfs/dbraw/zinc/41/30/91/1392413091.db2.gz KRLMTFZDBVHFIL-ZHHRLCKPSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CCC(C)CC1 ZINC001479847129 1392428485 /nfs/dbraw/zinc/42/84/85/1392428485.db2.gz FTWZMKOZSXHBPD-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[NH+](CC2CCCCCC2)C2CC2)C1 ZINC001479875782 1392452005 /nfs/dbraw/zinc/45/20/05/1392452005.db2.gz HLGNGTOYIIFPFY-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001479890930 1392461555 /nfs/dbraw/zinc/46/15/55/1392461555.db2.gz HFBOCBKZIKSRDC-ROUUACIJSA-N 2 0 337.552 3.076 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001479985665 1392518295 /nfs/dbraw/zinc/51/82/95/1392518295.db2.gz TXBZLPFJTVLEOP-WLMAVBAVSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001479986447 1392518630 /nfs/dbraw/zinc/51/86/30/1392518630.db2.gz KFDVZFSRNYMGQI-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001479987128 1392519262 /nfs/dbraw/zinc/51/92/62/1392519262.db2.gz CLNKRVZWDBTSOR-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001480286820 1392660072 /nfs/dbraw/zinc/66/00/72/1392660072.db2.gz VBMLETGNWKINEQ-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001480374207 1392717192 /nfs/dbraw/zinc/71/71/92/1392717192.db2.gz VEWFTNYPLZKSJX-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001480404284 1392741888 /nfs/dbraw/zinc/74/18/88/1392741888.db2.gz ZJLOWRFXMOQPKQ-CTWPCTMYSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001480411015 1392746492 /nfs/dbraw/zinc/74/64/92/1392746492.db2.gz DVUJJTVMTACPNI-WWDZGPRUSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)CC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001480411881 1392747532 /nfs/dbraw/zinc/74/75/32/1392747532.db2.gz WDOKKJLZOKCVIS-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480703325 1392866924 /nfs/dbraw/zinc/86/69/24/1392866924.db2.gz QUOJDASQVSHJFR-ZWKOTPCHSA-N 2 0 337.552 3.458 10 0 EGAERP CCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480710364 1392872964 /nfs/dbraw/zinc/87/29/64/1392872964.db2.gz VUZQSBIYTFMQEJ-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001480727364 1392888897 /nfs/dbraw/zinc/88/88/97/1392888897.db2.gz VBCQMEGMMSSPGS-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](CC1CCCC1)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480744129 1392910477 /nfs/dbraw/zinc/91/04/77/1392910477.db2.gz SMFMGEVMIVRIPV-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CCc1cccc(C[N@H+](CC)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001481018422 1393094327 /nfs/dbraw/zinc/09/43/27/1393094327.db2.gz LNOFJQNWKBLCEW-ROUUACIJSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)C ZINC001481147259 1393133353 /nfs/dbraw/zinc/13/33/53/1393133353.db2.gz AYPXOCOCMIJFCE-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1=CCCCC1 ZINC001481151962 1393135605 /nfs/dbraw/zinc/13/56/05/1393135605.db2.gz YGSAXKMKHAIQDO-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001481170588 1393140748 /nfs/dbraw/zinc/14/07/48/1393140748.db2.gz RMOHHLIHLJGLMC-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](C(=O)NCC[N@H+](CC1=CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001481188055 1393145682 /nfs/dbraw/zinc/14/56/82/1393145682.db2.gz UEPIPNALSWOKDV-SFHVURJKSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001481327301 1393164373 /nfs/dbraw/zinc/16/43/73/1393164373.db2.gz FAOPPELLJUASKY-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001481335588 1393166268 /nfs/dbraw/zinc/16/62/68/1393166268.db2.gz QUSQUNCKZPFVJL-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001481348055 1393171448 /nfs/dbraw/zinc/17/14/48/1393171448.db2.gz SBJBDLJWBKLPTK-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C(=O)NCCC[N@H+](CC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001490381183 1394208242 /nfs/dbraw/zinc/20/82/42/1394208242.db2.gz NLJFLZMRZOLRRB-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001481374316 1394215894 /nfs/dbraw/zinc/21/58/94/1394215894.db2.gz LVCXZXQOZPOPPQ-PMACEKPBSA-N 2 0 343.515 3.108 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001481374317 1394216018 /nfs/dbraw/zinc/21/60/18/1394216018.db2.gz LVCXZXQOZPOPPQ-UXHICEINSA-N 2 0 343.515 3.108 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001490608976 1394281091 /nfs/dbraw/zinc/28/10/91/1394281091.db2.gz IGYUWMUEXYAKOV-RTLBZRNLSA-N 2 0 347.547 3.189 10 0 EGAERP O=C(NCC[C@@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001481445310 1394298446 /nfs/dbraw/zinc/29/84/46/1394298446.db2.gz HCFJSNIBJAUZGC-UYAOXDASSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490773043 1394335217 /nfs/dbraw/zinc/33/52/17/1394335217.db2.gz WOQLWEAGJGOVGK-IRXDYDNUSA-N 2 0 349.494 3.009 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C2)c1 ZINC001491054905 1394413903 /nfs/dbraw/zinc/41/39/03/1394413903.db2.gz IIHVCZQNDIIOTN-KDURUIRLSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001491079421 1394421046 /nfs/dbraw/zinc/42/10/46/1394421046.db2.gz AZWBRFCMYGHBRN-PBWTXFEYSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001491083842 1394422155 /nfs/dbraw/zinc/42/21/55/1394422155.db2.gz XETJQKXHAAIZMZ-CEXWTWQISA-N 2 0 349.563 3.170 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491126875 1394443857 /nfs/dbraw/zinc/44/38/57/1394443857.db2.gz VAVOTKKVAILERQ-XJDXJNMNSA-N 2 0 349.563 3.293 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CCCCC1 ZINC001481704622 1394462712 /nfs/dbraw/zinc/46/27/12/1394462712.db2.gz BDZZBMRNXNNIKV-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491218702 1394477062 /nfs/dbraw/zinc/47/70/62/1394477062.db2.gz JBDMAPFKVGGOJU-XFHJGTJQSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001491264330 1394496590 /nfs/dbraw/zinc/49/65/90/1394496590.db2.gz KLCQRBIQJCODBJ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481753281 1394497207 /nfs/dbraw/zinc/49/72/07/1394497207.db2.gz RJHAEXRQVJQKFY-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H]([NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001491370703 1394514001 /nfs/dbraw/zinc/51/40/01/1394514001.db2.gz XFJFCQPJSPAWDL-SOAGJPPSSA-N 2 0 345.531 3.495 10 0 EGAERP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481773167 1394516983 /nfs/dbraw/zinc/51/69/83/1394516983.db2.gz PXGPXFAYIJELDA-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816418 1394543558 /nfs/dbraw/zinc/54/35/58/1394543558.db2.gz LPBSRROSTPIWCR-VQTJNVASSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1C ZINC001481838424 1394553103 /nfs/dbraw/zinc/55/31/03/1394553103.db2.gz BVDRUBQJVWENKH-QZTJIDSGSA-N 2 0 345.531 3.415 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001481989042 1394649615 /nfs/dbraw/zinc/64/96/15/1394649615.db2.gz WQDIJNVDTVLDFK-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001482005194 1394665474 /nfs/dbraw/zinc/66/54/74/1394665474.db2.gz DVGYOLIZVCZTGG-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001482009066 1394668805 /nfs/dbraw/zinc/66/88/05/1394668805.db2.gz BXDZTZXNPGKCHB-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001482302881 1394878831 /nfs/dbraw/zinc/87/88/31/1394878831.db2.gz RDMWQZCSYDKUJQ-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001482394376 1394955180 /nfs/dbraw/zinc/95/51/80/1394955180.db2.gz PRWMJNGMUWNSJT-LJQANCHMSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)CC(C)C ZINC001482400002 1394960946 /nfs/dbraw/zinc/96/09/46/1394960946.db2.gz DIRRQUDFFHYXBC-ZWKOTPCHSA-N 2 0 339.568 3.418 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CCCCC2)C1 ZINC001482413429 1394977244 /nfs/dbraw/zinc/97/72/44/1394977244.db2.gz NSSGRLLTFPHECE-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001482436559 1394997872 /nfs/dbraw/zinc/99/78/72/1394997872.db2.gz VOYVPBUWNOFLBZ-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC(C)(C)C ZINC001698970565 1406733913 /nfs/dbraw/zinc/73/39/13/1406733913.db2.gz ACPISEMNNAMGNT-INIZCTEOSA-N 2 0 327.557 3.131 10 0 EGAERP CC(C)C[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001482485491 1395038731 /nfs/dbraw/zinc/03/87/31/1395038731.db2.gz VEIDXSNGFXCTLB-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001482564919 1395091142 /nfs/dbraw/zinc/09/11/42/1395091142.db2.gz HXTOUPVJMFYEPV-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC3CCC(C)CC3)C2)C1 ZINC001483847580 1395115010 /nfs/dbraw/zinc/11/50/10/1395115010.db2.gz NAVINEHLZXGQQT-GZNCHQMQSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1)[NH+](CC)CC ZINC001483880032 1395125936 /nfs/dbraw/zinc/12/59/36/1395125936.db2.gz RUFUYKJCSOBGGU-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001483952443 1395159232 /nfs/dbraw/zinc/15/92/32/1395159232.db2.gz IRHBLTSAXRCFSV-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC1(C)CCC(C[NH+]2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001483976565 1395171402 /nfs/dbraw/zinc/17/14/02/1395171402.db2.gz WGKRCIUHTAJELY-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163829 1395298842 /nfs/dbraw/zinc/29/88/42/1395298842.db2.gz NXXGPHWBCPJDAU-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)(C)C)CC1 ZINC001484618338 1395452352 /nfs/dbraw/zinc/45/23/52/1395452352.db2.gz HBKQVBXRUXLZPK-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001484637291 1395457488 /nfs/dbraw/zinc/45/74/88/1395457488.db2.gz XVPUCHGEQMVUOI-GOSISDBHSA-N 2 0 347.547 3.070 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484638351 1395457770 /nfs/dbraw/zinc/45/77/70/1395457770.db2.gz AYQFVRAPJUMOPB-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP Cc1cccc(C)c1C[NH+]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484728558 1395491789 /nfs/dbraw/zinc/49/17/89/1395491789.db2.gz RFDZBKAGNDNPKE-LJQANCHMSA-N 2 0 345.531 3.114 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484810985 1395546612 /nfs/dbraw/zinc/54/66/12/1395546612.db2.gz RXKFZDQWRNCSAQ-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001484828007 1395566378 /nfs/dbraw/zinc/56/63/78/1395566378.db2.gz ZLSMSSGTVXVPIZ-TZIWHRDSSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001484829802 1395567556 /nfs/dbraw/zinc/56/75/56/1395567556.db2.gz LOYAXKZXZMNFBJ-FQEVSTJZSA-N 2 0 337.552 3.223 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@H](C)c2ccccc2C)CC[N@@H+]1C ZINC001698987896 1406772971 /nfs/dbraw/zinc/77/29/71/1406772971.db2.gz ILXUWGFESVPGQR-YZGWKJHDSA-N 2 0 345.531 3.177 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001485084554 1395654750 /nfs/dbraw/zinc/65/47/50/1395654750.db2.gz OMWNVPSLNRMVQD-FQEVSTJZSA-N 2 0 349.563 3.243 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001485238659 1395731037 /nfs/dbraw/zinc/73/10/37/1395731037.db2.gz JEZGOTZTSAIDCK-VOTSOKGWSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001485378374 1395860629 /nfs/dbraw/zinc/86/06/29/1395860629.db2.gz VMHSFMGNZOBHQR-LPHOPBHVSA-N 2 0 333.520 3.087 10 0 EGAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485463084 1395938574 /nfs/dbraw/zinc/93/85/74/1395938574.db2.gz JZFFHHCBYLGTCY-MSOLQXFVSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001485582860 1396058061 /nfs/dbraw/zinc/05/80/61/1396058061.db2.gz VBIZYRXWDLIFAK-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001485585074 1396061688 /nfs/dbraw/zinc/06/16/88/1396061688.db2.gz JZSJTLXUKVDFDT-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001485702707 1396109396 /nfs/dbraw/zinc/10/93/96/1396109396.db2.gz ZAFYHQORJVUTRF-MISYRCLQSA-N 2 0 343.515 3.130 10 0 EGAERP CC[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001485736000 1396122820 /nfs/dbraw/zinc/12/28/20/1396122820.db2.gz MUFGZSSITKLMPS-FXAWDEMLSA-N 2 0 345.531 3.354 10 0 EGAERP CCc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001485737709 1396124586 /nfs/dbraw/zinc/12/45/86/1396124586.db2.gz XFGFARXNFRZYFY-PXNSSMCTSA-N 2 0 345.531 3.108 10 0 EGAERP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001485764849 1396141321 /nfs/dbraw/zinc/14/13/21/1396141321.db2.gz GAUZFEWZVAHPHW-VOTSOKGWSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCC(C)(C)C ZINC001485792312 1396155347 /nfs/dbraw/zinc/15/53/47/1396155347.db2.gz ZGWGXTCKTADMDN-XLIONFOSSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001485871699 1396160348 /nfs/dbraw/zinc/16/03/48/1396160348.db2.gz DCEMFKXNYPYQJL-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CC3(CCC3)C1)CC2)[NH+](C)C ZINC001486146343 1396179500 /nfs/dbraw/zinc/17/95/00/1396179500.db2.gz MYGFFJADCAWLSS-BBTUJRGHSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001486186506 1396181474 /nfs/dbraw/zinc/18/14/74/1396181474.db2.gz KBVKKAJNGYPGQK-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486248574 1396189190 /nfs/dbraw/zinc/18/91/90/1396189190.db2.gz XIGUQXTVJQINFX-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C/c1ccccc1 ZINC001503290824 1396250106 /nfs/dbraw/zinc/25/01/06/1396250106.db2.gz QGQANUZOKUCTGY-JWGTXRQBSA-N 2 0 343.515 3.059 10 0 EGAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)CC1CCC(C(C)(C)C)CC1 ZINC001493010882 1396331959 /nfs/dbraw/zinc/33/19/59/1396331959.db2.gz WVSBLVICBIWGJG-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001493126602 1396336307 /nfs/dbraw/zinc/33/63/07/1396336307.db2.gz VWFVEKBXDYYHDL-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001493140982 1396338087 /nfs/dbraw/zinc/33/80/87/1396338087.db2.gz VENCISWOUJBJSB-SFFCAUCYSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001494149384 1396384816 /nfs/dbraw/zinc/38/48/16/1396384816.db2.gz ZXCJBHOZSPRMHB-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001699004176 1406823734 /nfs/dbraw/zinc/82/37/34/1406823734.db2.gz NGNRSJPNNZUFHG-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001495168599 1396521738 /nfs/dbraw/zinc/52/17/38/1396521738.db2.gz NQBPDHLHXODZSC-RBUKOAKNSA-N 2 0 349.563 3.458 10 0 EGAERP CCCC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001495325041 1396533305 /nfs/dbraw/zinc/53/33/05/1396533305.db2.gz LAMDZTLEJBMSQN-XLIONFOSSA-N 2 0 337.552 3.173 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001496054246 1396593091 /nfs/dbraw/zinc/59/30/91/1396593091.db2.gz FAUONZYACDQKCR-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001496084259 1396598134 /nfs/dbraw/zinc/59/81/34/1396598134.db2.gz WARGGFORGQSBAN-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001496084419 1396598710 /nfs/dbraw/zinc/59/87/10/1396598710.db2.gz WPQOMLLKPMLHLP-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496126113 1396607464 /nfs/dbraw/zinc/60/74/64/1396607464.db2.gz BCINKMDNKBAUBE-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001496179554 1396620713 /nfs/dbraw/zinc/62/07/13/1396620713.db2.gz SXBWPILJJWQAAS-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001496294264 1396636739 /nfs/dbraw/zinc/63/67/39/1396636739.db2.gz LKIHJEFGDJPWDF-KIUVSXKZSA-N 2 0 343.943 3.122 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CCCCC2)C1 ZINC001496326983 1396651643 /nfs/dbraw/zinc/65/16/43/1396651643.db2.gz RHXIQPBUTMPRIR-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001496365612 1396670278 /nfs/dbraw/zinc/67/02/78/1396670278.db2.gz ZWVGXRLFBXROGI-PXNSSMCTSA-N 2 0 345.531 3.088 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001496417559 1396701119 /nfs/dbraw/zinc/70/11/19/1396701119.db2.gz AIYLTJRLLOOWSK-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C)cc1 ZINC001496418915 1396701549 /nfs/dbraw/zinc/70/15/49/1396701549.db2.gz LMXILMCNRQDDQP-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C[NH2+]CC2CCC2)C1 ZINC001689112283 1396920003 /nfs/dbraw/zinc/92/00/03/1396920003.db2.gz FIBQCXZKYCJWLC-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001689176524 1396959947 /nfs/dbraw/zinc/95/99/47/1396959947.db2.gz AEPLFSVFYIJFFH-WZOJCFFYSA-N 2 0 349.563 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001689270682 1397004021 /nfs/dbraw/zinc/00/40/21/1397004021.db2.gz UJPQKTYIVWAGSN-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001689362861 1403700335 /nfs/dbraw/zinc/70/03/35/1403700335.db2.gz IPJZRYWRPCXUKM-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001689807467 1404147276 /nfs/dbraw/zinc/14/72/76/1404147276.db2.gz WLLDGGOMNDVNFE-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001689812887 1404152647 /nfs/dbraw/zinc/15/26/47/1404152647.db2.gz UPVWAJRSAQBDNC-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H]([NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001690162905 1404360827 /nfs/dbraw/zinc/36/08/27/1404360827.db2.gz RELVSILRTHEDGL-QFBILLFUSA-N 2 0 343.515 3.106 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690197640 1404407999 /nfs/dbraw/zinc/40/79/99/1404407999.db2.gz QTJBVLIFNVAJDF-QUCCMNQESA-N 2 0 345.531 3.260 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001690207360 1404414822 /nfs/dbraw/zinc/41/48/22/1404414822.db2.gz VJBSEAGTDIVJRF-QFTWQFLFSA-N 2 0 347.547 3.282 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001690216731 1404425634 /nfs/dbraw/zinc/42/56/34/1404425634.db2.gz XEALQZQYQXXZJI-LRTWDAGNSA-N 2 0 347.547 3.281 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001690394206 1404536870 /nfs/dbraw/zinc/53/68/70/1404536870.db2.gz VCPKUJIGWCLUKC-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690421080 1404549379 /nfs/dbraw/zinc/54/93/79/1404549379.db2.gz LGNGNNSNBVCTHW-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690458697 1404588390 /nfs/dbraw/zinc/58/83/90/1404588390.db2.gz GNCYFNKDTUNQIR-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690458702 1404589002 /nfs/dbraw/zinc/58/90/02/1404589002.db2.gz GNCYFNKDTUNQIR-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690480256 1404599964 /nfs/dbraw/zinc/59/99/64/1404599964.db2.gz IONVFWAEKQHGOB-OALUTQOASA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001690505365 1404617419 /nfs/dbraw/zinc/61/74/19/1404617419.db2.gz QXEGOVZWVYXCNK-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001690533895 1404624475 /nfs/dbraw/zinc/62/44/75/1404624475.db2.gz AFTMRDGYUIQNMI-LMDPOFIKSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001690544623 1404628733 /nfs/dbraw/zinc/62/87/33/1404628733.db2.gz VLSCXGCMNKBZEV-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001690650617 1404682224 /nfs/dbraw/zinc/68/22/24/1404682224.db2.gz NSSZAJJVEXKFSZ-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001690674554 1404688528 /nfs/dbraw/zinc/68/85/28/1404688528.db2.gz PFWPYEPLKGUYLW-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001690713202 1404695878 /nfs/dbraw/zinc/69/58/78/1404695878.db2.gz LXEUKVMJLMKRNB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001690905459 1404814506 /nfs/dbraw/zinc/81/45/06/1404814506.db2.gz IACAFSGTWOXYHW-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001691083665 1405017309 /nfs/dbraw/zinc/01/73/09/1405017309.db2.gz ZCPFGTQJLMHXPZ-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097223 1405033543 /nfs/dbraw/zinc/03/35/43/1405033543.db2.gz HYCQETWQSROJEZ-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691098711 1405036660 /nfs/dbraw/zinc/03/66/60/1405036660.db2.gz WKPRTFNWBWLVKJ-FGTMMUONSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691150150 1405083956 /nfs/dbraw/zinc/08/39/56/1405083956.db2.gz CAMCQXKLKYOMOC-VAMGGRTRSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001691275572 1405187837 /nfs/dbraw/zinc/18/78/37/1405187837.db2.gz SXDRNBMGNQNXFK-MOPGFXCFSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)CCCC[NH+](C)C)c(C)c1 ZINC001691410730 1405248482 /nfs/dbraw/zinc/24/84/82/1405248482.db2.gz SOEJJFRVOCTXKP-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP CC/C=C/CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)C1 ZINC001691411225 1405249399 /nfs/dbraw/zinc/24/93/99/1405249399.db2.gz DSUDNNDZQDHTJD-WKOLEINNSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+]1CC=C(C)C ZINC001691518883 1405317091 /nfs/dbraw/zinc/31/70/91/1405317091.db2.gz XDDFPGOIEXAGDE-XUVXKRRUSA-N 2 0 349.563 3.432 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001691621155 1405361889 /nfs/dbraw/zinc/36/18/89/1405361889.db2.gz SVUMIRXIRTTWNU-MSOLQXFVSA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001691637180 1405373133 /nfs/dbraw/zinc/37/31/33/1405373133.db2.gz UWANVMVXPPVHHG-SFHVURJKSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001691678357 1405412644 /nfs/dbraw/zinc/41/26/44/1405412644.db2.gz LUHOHCTUOCEJFM-SFHVURJKSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1)[NH+](C)C ZINC001691788912 1405498155 /nfs/dbraw/zinc/49/81/55/1405498155.db2.gz XUFSEHWDFLIWLA-RTBURBONSA-N 2 0 345.531 3.210 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001691790344 1405499248 /nfs/dbraw/zinc/49/92/48/1405499248.db2.gz MDQCXRNGOQWBDT-CEXWTWQISA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001691812815 1405525708 /nfs/dbraw/zinc/52/57/08/1405525708.db2.gz DEQYSNUFJXHRAR-JTHGQSKGSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@@H](C)CC)CC(C)(C)C1 ZINC001691823301 1405539300 /nfs/dbraw/zinc/53/93/00/1405539300.db2.gz MTTKQWYRWIWSSE-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@@H](C)CC)CC(C)(C)C1 ZINC001691823300 1405539436 /nfs/dbraw/zinc/53/94/36/1405539436.db2.gz MTTKQWYRWIWSSE-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001691823225 1405539506 /nfs/dbraw/zinc/53/95/06/1405539506.db2.gz LDUVPFDXNLIWJI-BLGFXRMMSA-N 2 0 337.552 3.290 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCC2CCC2)C1 ZINC001691840957 1405551630 /nfs/dbraw/zinc/55/16/30/1405551630.db2.gz MKSDTHNMYKZPSJ-GGPKGHCWSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001691860715 1405579186 /nfs/dbraw/zinc/57/91/86/1405579186.db2.gz YPLWSOGQIVTANQ-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001691900053 1405622412 /nfs/dbraw/zinc/62/24/12/1405622412.db2.gz CPIDDFBCPGZVLB-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC2(C[C@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001691959872 1405676983 /nfs/dbraw/zinc/67/69/83/1405676983.db2.gz FZGSXEUIGXQOSS-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001692027216 1405746569 /nfs/dbraw/zinc/74/65/69/1405746569.db2.gz QAKGRPOZDBKBAF-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001692074253 1405760662 /nfs/dbraw/zinc/76/06/62/1405760662.db2.gz HXCQQWOCPYZZTG-QYZOEREBSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001692098018 1405770439 /nfs/dbraw/zinc/77/04/39/1405770439.db2.gz UPCGJTMEQKTRLK-HOJAQTOUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001692169808 1405818732 /nfs/dbraw/zinc/81/87/32/1405818732.db2.gz OFSJETOWEIFWGG-HOJAQTOUSA-N 2 0 349.563 3.409 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001692208455 1405844959 /nfs/dbraw/zinc/84/49/59/1405844959.db2.gz MMDRPGSBQPKEJQ-IIFCEKJISA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001692322029 1405940300 /nfs/dbraw/zinc/94/03/00/1405940300.db2.gz JCHUXNCFRVHRDW-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCC1 ZINC001732012122 1428226411 /nfs/dbraw/zinc/22/64/11/1428226411.db2.gz DDMOPXBPRULCCB-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001698562255 1406162387 /nfs/dbraw/zinc/16/23/87/1406162387.db2.gz ITMLAUUEOAAWFS-SJLPKXTDSA-N 2 0 337.552 3.218 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001698574555 1406181378 /nfs/dbraw/zinc/18/13/78/1406181378.db2.gz GBOXWVAHAORAHH-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001698589178 1406209734 /nfs/dbraw/zinc/20/97/34/1406209734.db2.gz ZGYRMDSXBCYBLO-RTBURBONSA-N 2 0 335.536 3.140 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001732038504 1428263170 /nfs/dbraw/zinc/26/31/70/1428263170.db2.gz HNKGDQFTJPUNOH-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001732051874 1428292765 /nfs/dbraw/zinc/29/27/65/1428292765.db2.gz AZNSLMWWRCTCET-QOJNPXKOSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732058672 1428305111 /nfs/dbraw/zinc/30/51/11/1428305111.db2.gz IMSHQMLTGNLHHI-VOFKWLDRSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC2CCC2)C1 ZINC001732084715 1428343746 /nfs/dbraw/zinc/34/37/46/1428343746.db2.gz SZTRSQWMHMNSKD-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC2CCC2)C1 ZINC001732084714 1428343893 /nfs/dbraw/zinc/34/38/93/1428343893.db2.gz SZTRSQWMHMNSKD-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732090218 1428354848 /nfs/dbraw/zinc/35/48/48/1428354848.db2.gz OAMZOANGSWDSBC-YSKLNCTFSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H]([NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001732206281 1428455794 /nfs/dbraw/zinc/45/57/94/1428455794.db2.gz SEVHQUBUFKUQLA-RBUKOAKNSA-N 2 0 345.531 3.497 10 0 EGAERP CCC[NH2+]C[C@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@@H]1C ZINC001732258267 1428498924 /nfs/dbraw/zinc/49/89/24/1428498924.db2.gz CPRQKKPWZNJOEN-LAUBAEHRSA-N 2 0 345.531 3.427 10 0 EGAERP CC(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001732320198 1428530044 /nfs/dbraw/zinc/53/00/44/1428530044.db2.gz YWPONQJOVHKDHK-PXNSSMCTSA-N 2 0 345.531 3.169 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC1CCC(C)CC1 ZINC001732354108 1428545542 /nfs/dbraw/zinc/54/55/42/1428545542.db2.gz DUSMEIXREZAFTE-LXPRWKDFSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699109310 1412514354 /nfs/dbraw/zinc/51/43/54/1412514354.db2.gz HIWFBZIWXLLGDD-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699140026 1412531443 /nfs/dbraw/zinc/53/14/43/1412531443.db2.gz DUYNNKMBHKYNQL-SJORKVTESA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001699153707 1412539618 /nfs/dbraw/zinc/53/96/18/1412539618.db2.gz RUBPQDARZLZPIW-FUHWJXTLSA-N 2 0 337.552 3.027 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699186175 1412559930 /nfs/dbraw/zinc/55/99/30/1412559930.db2.gz CSEAUWHOSLHTPY-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699186176 1412560127 /nfs/dbraw/zinc/56/01/27/1412560127.db2.gz CSEAUWHOSLHTPY-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1Cl ZINC001699258105 1412600544 /nfs/dbraw/zinc/60/05/44/1412600544.db2.gz BJQDSNQQRUIAJR-VLUZMPAZSA-N 2 0 349.906 3.003 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699271232 1412607964 /nfs/dbraw/zinc/60/79/64/1412607964.db2.gz NITWVPTVQALVPB-FNYRVFDFSA-N 2 0 343.515 3.192 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)C1 ZINC001699337210 1412648265 /nfs/dbraw/zinc/64/82/65/1412648265.db2.gz XXKRRFXVCWLQTA-SLVIYJBESA-N 2 0 347.547 3.259 10 0 EGAERP CN(CCC[NH2+]CC1CCC2(CC2)CC1)C(=O)CC[NH+]1CCCCC1 ZINC001699553698 1412920801 /nfs/dbraw/zinc/92/08/01/1412920801.db2.gz FZKYXWJPCXEUCV-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC(C)C ZINC001699611215 1412975539 /nfs/dbraw/zinc/97/55/39/1412975539.db2.gz WDEYZNLFPMIEBN-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001699624546 1412990318 /nfs/dbraw/zinc/99/03/18/1412990318.db2.gz UVXHYPDULKTVOT-TZFVZSICSA-N 2 0 347.547 3.330 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001699765329 1413170623 /nfs/dbraw/zinc/17/06/23/1413170623.db2.gz HBNJCHLYMMSMSX-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](C/C=C\c2ccccc2)CC1 ZINC001699776137 1413185948 /nfs/dbraw/zinc/18/59/48/1413185948.db2.gz YXONRVWQIZUWTM-FLIBITNWSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001699839152 1413267574 /nfs/dbraw/zinc/26/75/74/1413267574.db2.gz SFWOJEQWLXMXOG-FQEVSTJZSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001699845199 1413274316 /nfs/dbraw/zinc/27/43/16/1413274316.db2.gz ALIBOKVHDLILHA-KQPGTDLCSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699858905 1413291605 /nfs/dbraw/zinc/29/16/05/1413291605.db2.gz MIKSHHGJUCHVDL-NRFANRHFSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699945539 1413389699 /nfs/dbraw/zinc/38/96/99/1413389699.db2.gz UQTKBKFOJHPWDF-MOPGFXCFSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001700014492 1413459487 /nfs/dbraw/zinc/45/94/87/1413459487.db2.gz VDLJBUZUSHDBDI-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077654 1413491963 /nfs/dbraw/zinc/49/19/63/1413491963.db2.gz JVHSPCSYBCGTTG-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001700094172 1413508426 /nfs/dbraw/zinc/50/84/26/1413508426.db2.gz GTVGOULFCPSPLY-QFBILLFUSA-N 2 0 331.504 3.236 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700129480 1413545134 /nfs/dbraw/zinc/54/51/34/1413545134.db2.gz XLPOZDYOWDVXCS-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)[NH+]1CCCCC1 ZINC001700142981 1413565759 /nfs/dbraw/zinc/56/57/59/1413565759.db2.gz KSXUCWNNZWXQSY-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187314 1413610428 /nfs/dbraw/zinc/61/04/28/1413610428.db2.gz OSLNPTMHJRXZNT-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001700195423 1413634281 /nfs/dbraw/zinc/63/42/81/1413634281.db2.gz GWCLSIYKCISJFF-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001700220711 1413667100 /nfs/dbraw/zinc/66/71/00/1413667100.db2.gz RCKFEOUQRQHNOM-UHFFFAOYSA-N 2 0 337.552 3.410 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001700224424 1413674714 /nfs/dbraw/zinc/67/47/14/1413674714.db2.gz FOAWMJZMEKWEDP-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001700229367 1413686751 /nfs/dbraw/zinc/68/67/51/1413686751.db2.gz IYFHZCMKGUXDRC-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]C[C@@H](C)CC)CC2)C1 ZINC001700282551 1413728292 /nfs/dbraw/zinc/72/82/92/1413728292.db2.gz TZCPOPFSTCQQDC-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCCC1 ZINC001732560712 1428750224 /nfs/dbraw/zinc/75/02/24/1428750224.db2.gz KCZHYOHSBYQJTP-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700284080 1413730547 /nfs/dbraw/zinc/73/05/47/1413730547.db2.gz TXDFDTKEZZODNU-GHOSXJJBSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CCC(C)CC2)CC1 ZINC001700289620 1413739300 /nfs/dbraw/zinc/73/93/00/1413739300.db2.gz SGGBDZLAGZQFMA-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001700290794 1413743184 /nfs/dbraw/zinc/74/31/84/1413743184.db2.gz DKOWDMUGGPWGIC-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700361288 1413875291 /nfs/dbraw/zinc/87/52/91/1413875291.db2.gz BDHWENYIWLQLAS-ZBWOGFRMSA-N 2 0 349.563 3.243 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001700411187 1413953347 /nfs/dbraw/zinc/95/33/47/1413953347.db2.gz DIGCKXCYXFNDDQ-ZWKOTPCHSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001700414808 1413958247 /nfs/dbraw/zinc/95/82/47/1413958247.db2.gz BVIMFCZDGAZLMN-SJORKVTESA-N 2 0 339.568 3.418 10 0 EGAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001700419443 1413968201 /nfs/dbraw/zinc/96/82/01/1413968201.db2.gz WMMUJNFPBXUMFW-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001700425335 1413980409 /nfs/dbraw/zinc/98/04/09/1413980409.db2.gz QKAUTXAKZDUYDL-ZWKOTPCHSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H]([NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1)c1ccccc1F ZINC001700448532 1414028088 /nfs/dbraw/zinc/02/80/88/1414028088.db2.gz PCKAJVVGMILIDD-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001700448416 1414028505 /nfs/dbraw/zinc/02/85/05/1414028505.db2.gz LGZZAJLWPSVMNV-SFHVURJKSA-N 2 0 347.547 3.470 10 0 EGAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001700460389 1414056449 /nfs/dbraw/zinc/05/64/49/1414056449.db2.gz JDJHDKUTFZBYQL-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001700488260 1414137696 /nfs/dbraw/zinc/13/76/96/1414137696.db2.gz ULESUOBNKGFOTD-KRWDZBQOSA-N 2 0 347.547 3.261 10 0 EGAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001700505869 1414153726 /nfs/dbraw/zinc/15/37/26/1414153726.db2.gz HHZUNZXTYWTKOF-ZWKOTPCHSA-N 2 0 325.541 3.120 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001700508024 1414156068 /nfs/dbraw/zinc/15/60/68/1414156068.db2.gz XUERPTMOZKSIID-QUCCMNQESA-N 2 0 345.531 3.306 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700510836 1414159980 /nfs/dbraw/zinc/15/99/80/1414159980.db2.gz LZHCPIOAQYHOOW-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700512400 1414161682 /nfs/dbraw/zinc/16/16/82/1414161682.db2.gz QMOXNDJADQHCER-LJQANCHMSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700575755 1414250440 /nfs/dbraw/zinc/25/04/40/1414250440.db2.gz YVRZTEUFPSJAIN-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001700693368 1414346676 /nfs/dbraw/zinc/34/66/76/1414346676.db2.gz IASIWVPWBQNBIG-RBUKOAKNSA-N 2 0 349.563 3.362 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001700827420 1414483100 /nfs/dbraw/zinc/48/31/00/1414483100.db2.gz CMSYSRREGYQXDQ-OKMFUNFZSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001700886679 1414545191 /nfs/dbraw/zinc/54/51/91/1414545191.db2.gz DPBWORIGAKRTFB-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C)cc1C ZINC001700981748 1414623057 /nfs/dbraw/zinc/62/30/57/1414623057.db2.gz YBGXXRIIDGBGBN-UHFFFAOYSA-N 2 0 347.547 3.312 10 0 EGAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001701008512 1414665879 /nfs/dbraw/zinc/66/58/79/1414665879.db2.gz PJOJKNVVRKZUHQ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001701013769 1414675414 /nfs/dbraw/zinc/67/54/14/1414675414.db2.gz ZSAPZAAZHLGFIC-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@H](C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001701061223 1414717914 /nfs/dbraw/zinc/71/79/14/1414717914.db2.gz GCFOHOPURFQZDD-GOSISDBHSA-N 2 0 337.552 3.147 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732690403 1428911416 /nfs/dbraw/zinc/91/14/16/1428911416.db2.gz OVJSGKQLYFUFDO-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP CCc1ccc(C[NH2+]CCN(CC)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001732811366 1428988926 /nfs/dbraw/zinc/98/89/26/1428988926.db2.gz AHIFKUTUUKYCRG-ROUUACIJSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1ccc(C[NH2+]CCN(CC)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001732811365 1428989254 /nfs/dbraw/zinc/98/92/54/1428989254.db2.gz AHIFKUTUUKYCRG-QZTJIDSGSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001732964503 1429088889 /nfs/dbraw/zinc/08/88/89/1429088889.db2.gz HZMLBAQKVUVGFP-QGZVFWFLSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001732971492 1429097085 /nfs/dbraw/zinc/09/70/85/1429097085.db2.gz VCESONILZZEFKV-QGZVFWFLSA-N 2 0 347.547 3.382 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001733014005 1429133631 /nfs/dbraw/zinc/13/36/31/1429133631.db2.gz VDHDSLOQXLZKLC-QWXNRMGCSA-N 2 0 343.515 3.057 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001707062428 1417177747 /nfs/dbraw/zinc/17/77/47/1417177747.db2.gz NEMXOCRYJAMZLQ-GLCUZYPYSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 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345.531 3.196 10 0 EGAERP CC/C=C/CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001713111740 1417673755 /nfs/dbraw/zinc/67/37/55/1417673755.db2.gz LWXCEBTZKLKYSS-VZSQWMKGSA-N 2 0 340.471 3.097 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713199760 1417770797 /nfs/dbraw/zinc/77/07/97/1417770797.db2.gz NWPXXFGMHKXWAT-AQNXPRMDSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CCC(C)C ZINC001713272525 1417887457 /nfs/dbraw/zinc/88/74/57/1417887457.db2.gz WMVMKNXEOPRCAI-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713275238 1417893010 /nfs/dbraw/zinc/89/30/10/1417893010.db2.gz GHRBACKNFZIAJF-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713344566 1417965898 /nfs/dbraw/zinc/96/58/98/1417965898.db2.gz SIBICBIKAYLEKH-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001713423664 1418050188 /nfs/dbraw/zinc/05/01/88/1418050188.db2.gz ZDYWMOZMGCDFDR-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001713433160 1418062238 /nfs/dbraw/zinc/06/22/38/1418062238.db2.gz SFQKJEIFEUWBBU-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001713477923 1418160683 /nfs/dbraw/zinc/16/06/83/1418160683.db2.gz JDNSKKAUZBFWGM-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1cc(C)cc(C)c1 ZINC001713486491 1418181458 /nfs/dbraw/zinc/18/14/58/1418181458.db2.gz LEDIONUOHNDQLF-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCCCC1 ZINC001713515101 1418249892 /nfs/dbraw/zinc/24/98/92/1418249892.db2.gz OJUVXKMDWGZRPH-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001733110293 1429247000 /nfs/dbraw/zinc/24/70/00/1429247000.db2.gz IKGIOCLSOWMUFA-SFHVURJKSA-N 2 0 343.515 3.123 10 0 EGAERP CC1CCC(C[N@H+](CCNC(=O)CC[NH+]2CCCCC2)C2CC2)CC1 ZINC001713566412 1418378213 /nfs/dbraw/zinc/37/82/13/1418378213.db2.gz WZSIICDPIOQTEX-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001713641549 1418407711 /nfs/dbraw/zinc/40/77/11/1418407711.db2.gz RSEYKWUKEDQHEA-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001713692477 1418446504 /nfs/dbraw/zinc/44/65/04/1418446504.db2.gz JOCOFDRPNXEFNR-GOSISDBHSA-N 2 0 325.541 3.122 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1CCCC1)C(C)C ZINC001713695375 1418448880 /nfs/dbraw/zinc/44/88/80/1418448880.db2.gz SPZIUPGGNXJMEG-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001713727582 1418509143 /nfs/dbraw/zinc/50/91/43/1418509143.db2.gz DQGXALBBMGVCMU-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713756200 1418560659 /nfs/dbraw/zinc/56/06/59/1418560659.db2.gz PZJPGEYBIQDNOL-GOSISDBHSA-N 2 0 339.568 3.181 10 0 EGAERP C[NH+]1CCC(CC(=O)NCCC[N@H+](CC2CCCCC2)C2CC2)CC1 ZINC001713772723 1418588404 /nfs/dbraw/zinc/58/84/04/1418588404.db2.gz DLCKYADWJSZIER-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713913410 1418709205 /nfs/dbraw/zinc/70/92/05/1418709205.db2.gz XBGLMMIYHJEACK-LWYYNNOASA-N 2 0 349.563 3.218 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713981376 1418761654 /nfs/dbraw/zinc/76/16/54/1418761654.db2.gz HHWNVKVSKPCWES-KAGICYHLSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713988684 1418765905 /nfs/dbraw/zinc/76/59/05/1418765905.db2.gz FPBPWVYCMZKNFH-STBQLKDLSA-N 2 0 347.547 3.377 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(C)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001714022970 1418806817 /nfs/dbraw/zinc/80/68/17/1418806817.db2.gz XNUSKLKVFNQFQI-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714070594 1418866240 /nfs/dbraw/zinc/86/62/40/1418866240.db2.gz LOJZUAIVYLSLAL-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714081407 1418875137 /nfs/dbraw/zinc/87/51/37/1418875137.db2.gz VAVZRRXAHDNHJY-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001714100200 1418896354 /nfs/dbraw/zinc/89/63/54/1418896354.db2.gz WMIUVFLKNQSIQU-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714109673 1418911036 /nfs/dbraw/zinc/91/10/36/1418911036.db2.gz MSDKFDDPTCGWKT-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714116550 1418919559 /nfs/dbraw/zinc/91/95/59/1418919559.db2.gz OLKJXXFZUAHYCU-HMECNJMJSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001714167172 1418976263 /nfs/dbraw/zinc/97/62/63/1418976263.db2.gz MYTMMHDONAWJKH-JLTOFOAXSA-N 2 0 342.487 3.177 10 0 EGAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1c(C)cccc1C)C1CC1)[NH+](C)C ZINC001714173476 1418981231 /nfs/dbraw/zinc/98/12/31/1418981231.db2.gz BFNPDSLUJIZHBE-TZIWHRDSSA-N 2 0 345.531 3.018 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@](C)(C[NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001714176534 1418984450 /nfs/dbraw/zinc/98/44/50/1418984450.db2.gz PZQOQZMBBHNJLL-WIYYLYMNSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001733197670 1429299926 /nfs/dbraw/zinc/29/99/26/1429299926.db2.gz IUOYGFICQAAIBM-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714209068 1419009100 /nfs/dbraw/zinc/00/91/00/1419009100.db2.gz SWHZQCMXUVFWNY-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCCC1 ZINC001714242308 1419030628 /nfs/dbraw/zinc/03/06/28/1419030628.db2.gz ZFKIUSGOHBPOAH-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001733200315 1429304305 /nfs/dbraw/zinc/30/43/05/1429304305.db2.gz QLKWXKKNEGDAKQ-SBUVDCAVSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001714270654 1419051453 /nfs/dbraw/zinc/05/14/53/1419051453.db2.gz SAXPEQQIILWMND-PGYGNJIDSA-N 2 0 345.531 3.006 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001714271309 1419052124 /nfs/dbraw/zinc/05/21/24/1419052124.db2.gz KNRACTGWLJLZJT-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001714288047 1419066587 /nfs/dbraw/zinc/06/65/87/1419066587.db2.gz MUVVASWOGOFYMW-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC=C(C)C ZINC001733202630 1429308001 /nfs/dbraw/zinc/30/80/01/1429308001.db2.gz WLKWLMUWIUEYKD-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC1CCC(C)CC1 ZINC001714404014 1419146294 /nfs/dbraw/zinc/14/62/94/1419146294.db2.gz FXBMULCWUHGEBH-XBMUEBEBSA-N 2 0 349.563 3.031 10 0 EGAERP C[N@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714442200 1419173877 /nfs/dbraw/zinc/17/38/77/1419173877.db2.gz SCWDMYTXOHSCHS-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001714514460 1419241865 /nfs/dbraw/zinc/24/18/65/1419241865.db2.gz YGLXXAQRQUEELM-IRXDYDNUSA-N 2 0 337.552 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001714640993 1419413045 /nfs/dbraw/zinc/41/30/45/1419413045.db2.gz TVTDCDZZBGQYRG-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+](C)C)cc1 ZINC001714664978 1419452351 /nfs/dbraw/zinc/45/23/51/1419452351.db2.gz CWQRWHOPMCQTGA-XLIONFOSSA-N 2 0 347.547 3.333 10 0 EGAERP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001714810781 1419521999 /nfs/dbraw/zinc/52/19/99/1419521999.db2.gz DOLSHJXJPFBHTO-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001714821044 1419531472 /nfs/dbraw/zinc/53/14/72/1419531472.db2.gz RLJUHYPOHBMJMS-LOYZYROESA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714865399 1419591472 /nfs/dbraw/zinc/59/14/72/1419591472.db2.gz KLSRDQQYIPCVHV-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714865725 1419592163 /nfs/dbraw/zinc/59/21/63/1419592163.db2.gz QIMLISYRLNWZJT-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714871372 1419601675 /nfs/dbraw/zinc/60/16/75/1419601675.db2.gz XZOXXRZMRDKIAA-NVXWUHKLSA-N 2 0 342.487 3.131 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001714873700 1419606731 /nfs/dbraw/zinc/60/67/31/1419606731.db2.gz QMDFZGBZIGQCJB-MJGOQNOKSA-N 2 0 331.504 3.012 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001714876679 1419611504 /nfs/dbraw/zinc/61/15/04/1419611504.db2.gz MXEMXPFMSULDHV-SXLOBPIMSA-N 2 0 349.563 3.125 10 0 EGAERP CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001714881991 1419618890 /nfs/dbraw/zinc/61/88/90/1419618890.db2.gz PSCGBPYLXCJUIX-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001714914549 1419663134 /nfs/dbraw/zinc/66/31/34/1419663134.db2.gz VJVVGPNCBCADIG-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001714918016 1419669929 /nfs/dbraw/zinc/66/99/29/1419669929.db2.gz DKRCTJWKXBDKBN-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001714921863 1419674298 /nfs/dbraw/zinc/67/42/98/1419674298.db2.gz XZUZHIAMWBLEDD-YSKLNCTFSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@H](C)c1ccccc1 ZINC001715062187 1419800961 /nfs/dbraw/zinc/80/09/61/1419800961.db2.gz FIQUGWYFCUFYRP-IEBWSBKVSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077152 1419811704 /nfs/dbraw/zinc/81/17/04/1419811704.db2.gz YOKYYTDNSHBAFZ-MOPGFXCFSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077154 1419811735 /nfs/dbraw/zinc/81/17/35/1419811735.db2.gz YOKYYTDNSHBAFZ-OALUTQOASA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001715099281 1419840260 /nfs/dbraw/zinc/84/02/60/1419840260.db2.gz PIPQWOOABKTXOH-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001715113938 1419857763 /nfs/dbraw/zinc/85/77/63/1419857763.db2.gz XRGHDQSRFGZPSB-UWJYYQICSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001715194235 1419925892 /nfs/dbraw/zinc/92/58/92/1419925892.db2.gz ACGFXZZJMXSTQH-UHFFFAOYSA-N 2 0 331.504 3.067 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+](CCC2)C3)cc1 ZINC001715196629 1419928376 /nfs/dbraw/zinc/92/83/76/1419928376.db2.gz ZSGSQJRCGPEBES-UHFFFAOYSA-N 2 0 343.515 3.069 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715210417 1419943683 /nfs/dbraw/zinc/94/36/83/1419943683.db2.gz ODKCUFIHZXIXQA-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001715307273 1420016617 /nfs/dbraw/zinc/01/66/17/1420016617.db2.gz HCTKTQVYAMOYKI-IBGZPJMESA-N 2 0 335.536 3.071 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715313772 1420023098 /nfs/dbraw/zinc/02/30/98/1420023098.db2.gz JIEBNVKFDZSPEX-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001715331426 1420036705 /nfs/dbraw/zinc/03/67/05/1420036705.db2.gz UYTQLWSWTOYFRD-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001715375650 1420071728 /nfs/dbraw/zinc/07/17/28/1420071728.db2.gz FBLFUNRCWDUUFH-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001715385716 1420082479 /nfs/dbraw/zinc/08/24/79/1420082479.db2.gz ANSOIBMFUBYJFZ-LPHOPBHVSA-N 2 0 349.494 3.103 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001715417099 1420110973 /nfs/dbraw/zinc/11/09/73/1420110973.db2.gz CEWGEOIDJZPQOS-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1c(C(=O)NC[C@@H]([NH2+]CCCC(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001715593883 1420262962 /nfs/dbraw/zinc/26/29/62/1420262962.db2.gz HDQPXODOBINOSL-LJQANCHMSA-N 2 0 344.503 3.423 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715618223 1420267080 /nfs/dbraw/zinc/26/70/80/1420267080.db2.gz BLONNLWJIURNAU-RBUKOAKNSA-N 2 0 337.552 3.314 10 0 EGAERP CCN(CC[NH2+]Cc1c(C)cccc1C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001715758403 1420329237 /nfs/dbraw/zinc/32/92/37/1420329237.db2.gz WYXSOJYUDACMKE-UHFFFAOYSA-N 2 0 347.547 3.219 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001715830416 1420360171 /nfs/dbraw/zinc/36/01/71/1420360171.db2.gz YIEDSUURRHLPRM-YOYZPVNRSA-N 2 0 343.515 3.192 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001715981444 1420439966 /nfs/dbraw/zinc/43/99/66/1420439966.db2.gz XGNVPUOWCBCNQB-ROUUACIJSA-N 2 0 343.515 3.026 10 0 EGAERP CC[C@@H]([NH2+]C[C@H](C)NC(=O)[C@@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001715981386 1420440194 /nfs/dbraw/zinc/44/01/94/1420440194.db2.gz VVWBRHCLQSCLDC-IAOVAPTHSA-N 2 0 339.911 3.226 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001715998406 1420452708 /nfs/dbraw/zinc/45/27/08/1420452708.db2.gz KLZGKVCBBCWKKY-ROUUACIJSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1cc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C2CCC2)c(C)c1 ZINC001716018871 1420473594 /nfs/dbraw/zinc/47/35/94/1420473594.db2.gz BJVCOEUPFZDJRL-GOSISDBHSA-N 2 0 345.531 3.033 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001716053331 1420517942 /nfs/dbraw/zinc/51/79/42/1420517942.db2.gz JPPOPNVXJYYAGV-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C(=O)N(CC)CC[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001716249771 1420581587 /nfs/dbraw/zinc/58/15/87/1420581587.db2.gz KIZYEDWXHXHDPA-PKOBYXMFSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC001716307286 1420599275 /nfs/dbraw/zinc/59/92/75/1420599275.db2.gz WNWQEYKYNWFDRR-JZIMQPMSSA-N 2 0 349.906 3.147 10 0 EGAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001716351022 1420615006 /nfs/dbraw/zinc/61/50/06/1420615006.db2.gz RLFWWONIMUWVDK-PYTPGESOSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001716414837 1420644093 /nfs/dbraw/zinc/64/40/93/1420644093.db2.gz VGBSHSGEHAMFFT-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1sccc1C[NH+](C)C ZINC001716439573 1420659919 /nfs/dbraw/zinc/65/99/19/1420659919.db2.gz SULNJXMZPALJEJ-AWEZNQCLSA-N 2 0 339.549 3.344 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716482525 1420700142 /nfs/dbraw/zinc/70/01/42/1420700142.db2.gz LWPXRSLRXXYRSV-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)NCC2([NH2+]CCCC(C)(C)C)CC2)ccc2c[nH+]cn21 ZINC001716686373 1420839245 /nfs/dbraw/zinc/83/92/45/1420839245.db2.gz CVJBRSCRWJFYRW-UHFFFAOYSA-N 2 0 342.487 3.321 10 0 EGAERP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716706983 1420861104 /nfs/dbraw/zinc/86/11/04/1420861104.db2.gz JDANQKDBCWQLKT-DZJYIKFMSA-N 2 0 349.563 3.265 10 0 EGAERP CCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001716716069 1420873235 /nfs/dbraw/zinc/87/32/35/1420873235.db2.gz WFFCBWZPAGGRSG-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001716724031 1420881695 /nfs/dbraw/zinc/88/16/95/1420881695.db2.gz BNLPRHMOAXCSIP-PRPIBZDOSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001716724036 1420881998 /nfs/dbraw/zinc/88/19/98/1420881998.db2.gz BNLPRHMOAXCSIP-XJDXJNMNSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001716728737 1420887629 /nfs/dbraw/zinc/88/76/29/1420887629.db2.gz YJVFAEJLQCCMFD-GOSISDBHSA-N 2 0 337.552 3.079 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001716799741 1420933010 /nfs/dbraw/zinc/93/30/10/1420933010.db2.gz LKIYHUPWIRMZIM-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001716817251 1420943748 /nfs/dbraw/zinc/94/37/48/1420943748.db2.gz HKHFAWQOADZVIW-MRXNPFEDSA-N 2 0 337.533 3.098 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001716819108 1420945593 /nfs/dbraw/zinc/94/55/93/1420945593.db2.gz QYDAIQFNYFAVGQ-PMACEKPBSA-N 2 0 349.563 3.338 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001716822968 1420949360 /nfs/dbraw/zinc/94/93/60/1420949360.db2.gz SUPFQLKZYDPXSI-QFBILLFUSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001716885887 1421009319 /nfs/dbraw/zinc/00/93/19/1421009319.db2.gz IEXVOGOROKLRHG-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001717001486 1421071451 /nfs/dbraw/zinc/07/14/51/1421071451.db2.gz CKKFUFBJETVYDB-WGSAOQKQSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001717127823 1421129362 /nfs/dbraw/zinc/12/93/62/1421129362.db2.gz DNVAZRHXZFUWRS-PHWHVTFISA-N 2 0 347.547 3.142 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001717152465 1421143036 /nfs/dbraw/zinc/14/30/36/1421143036.db2.gz CQIIRSVDNDXISU-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717239579 1421207646 /nfs/dbraw/zinc/20/76/46/1421207646.db2.gz RBDOFFNYUYGIPF-UHFFFAOYSA-N 2 0 335.536 3.188 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001717240033 1421208482 /nfs/dbraw/zinc/20/84/82/1421208482.db2.gz IAOFCERFXQMSEN-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001717248368 1421219988 /nfs/dbraw/zinc/21/99/88/1421219988.db2.gz YCMSPAXTDWUYKM-CTNGQTDRSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717297976 1421241327 /nfs/dbraw/zinc/24/13/27/1421241327.db2.gz QJMISNSEKQEXFY-IPLHWJFFSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC(C)([NH2+]CCCC3CCC3)CC2)CC1 ZINC001717302515 1421244451 /nfs/dbraw/zinc/24/44/51/1421244451.db2.gz HJUPPPQYPRLWPI-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001717302656 1421244601 /nfs/dbraw/zinc/24/46/01/1421244601.db2.gz MGAISAXLJFLVDM-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001717303494 1421245258 /nfs/dbraw/zinc/24/52/58/1421245258.db2.gz QRLZZQIUXZNAFJ-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001717309381 1421251977 /nfs/dbraw/zinc/25/19/77/1421251977.db2.gz LMRNMANMFXBRDF-ZSQQTYLHSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC001717309910 1421252633 /nfs/dbraw/zinc/25/26/33/1421252633.db2.gz WNMCUNXWMJYZEO-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)cc1 ZINC001717313117 1421258706 /nfs/dbraw/zinc/25/87/06/1421258706.db2.gz LJDROLORQQHSRY-LJQANCHMSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717332694 1421268167 /nfs/dbraw/zinc/26/81/67/1421268167.db2.gz YKBHXPHICVZCMH-PKOBYXMFSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C[NH+](CC)CC=C(C)C)CC2)CC[N@@H+]1C ZINC001717355206 1421290200 /nfs/dbraw/zinc/29/02/00/1421290200.db2.gz DNSZEENUKQJXSI-VQTJNVASSA-N 2 0 349.563 3.243 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001717394995 1421330733 /nfs/dbraw/zinc/33/07/33/1421330733.db2.gz YDLBCKCTKBXQJZ-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001717416176 1421347284 /nfs/dbraw/zinc/34/72/84/1421347284.db2.gz OBMPJFGENJMBTH-IAGOWNOFSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001733292450 1429472321 /nfs/dbraw/zinc/47/23/21/1429472321.db2.gz JCKMMKFUWDBGHD-NRFANRHFSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001717449655 1421379832 /nfs/dbraw/zinc/37/98/32/1421379832.db2.gz KBAHAVHWXWQZPR-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CCC2CCCC2)CC1 ZINC001717450026 1421380237 /nfs/dbraw/zinc/38/02/37/1421380237.db2.gz XGJYWSYQZCOBIB-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001717474548 1421407618 /nfs/dbraw/zinc/40/76/18/1421407618.db2.gz OTIOGKWJPCZQCI-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1cc(C)ccc1C ZINC001717494671 1421434437 /nfs/dbraw/zinc/43/44/37/1421434437.db2.gz NMFQDPTZCIDXQU-ROUUACIJSA-N 2 0 333.520 3.143 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1 ZINC001717527393 1421463261 /nfs/dbraw/zinc/46/32/61/1421463261.db2.gz MTHKVXDSYFBTFQ-UHFFFAOYSA-N 2 0 345.531 3.164 10 0 EGAERP CCCC[C@H](C[NH2+][C@H](C)c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001717532226 1421468379 /nfs/dbraw/zinc/46/83/79/1421468379.db2.gz BLNKJRBCPIPBDF-IEBWSBKVSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001717537422 1421475460 /nfs/dbraw/zinc/47/54/60/1421475460.db2.gz DXADJFXZNHWISK-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717550663 1421488790 /nfs/dbraw/zinc/48/87/90/1421488790.db2.gz DPVSKKTXRKVUGX-XLIONFOSSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](CCCC3CCCC3)CC2(C)C)CC1 ZINC001717585215 1421512244 /nfs/dbraw/zinc/51/22/44/1421512244.db2.gz MPFISANTUMEVBE-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585266 1421512587 /nfs/dbraw/zinc/51/25/87/1421512587.db2.gz NKQRVZFNQOFGIA-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[NH+]43)C2)C1 ZINC001717628633 1421537546 /nfs/dbraw/zinc/53/75/46/1421537546.db2.gz CFRPFJWAVITCEG-OALUTQOASA-N 2 0 347.547 3.118 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CC2CCC3(CC3)CC2)CC1 ZINC001717705415 1421580028 /nfs/dbraw/zinc/58/00/28/1421580028.db2.gz NIUGFRISKQFPCL-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCCC1 ZINC001717722443 1421590944 /nfs/dbraw/zinc/59/09/44/1421590944.db2.gz QRBQLFOJDGMASN-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001717756792 1421619981 /nfs/dbraw/zinc/61/99/81/1421619981.db2.gz IQPVHEVHEGVIPU-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001717758605 1421621587 /nfs/dbraw/zinc/62/15/87/1421621587.db2.gz YGTJGFPKPLTSHC-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001717796209 1421627333 /nfs/dbraw/zinc/62/73/33/1421627333.db2.gz OYCIEJSUNMQLHC-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CCC1CCCCC1)CC2 ZINC001717843433 1421658687 /nfs/dbraw/zinc/65/86/87/1421658687.db2.gz XVOWCMHFWCNXGX-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001717846623 1421660927 /nfs/dbraw/zinc/66/09/27/1421660927.db2.gz OQCUBGGSOVVSRG-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717870064 1421679132 /nfs/dbraw/zinc/67/91/32/1421679132.db2.gz CWJRYPQZXFGQIO-CQQBRXBZSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873882 1421681414 /nfs/dbraw/zinc/68/14/14/1421681414.db2.gz WTCJFCMKCJWGAL-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)C1CCC1 ZINC001717895270 1421693206 /nfs/dbraw/zinc/69/32/06/1421693206.db2.gz IAUQEGIVFZFOGC-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717952261 1421723186 /nfs/dbraw/zinc/72/31/86/1421723186.db2.gz FMMAKHWJQLKWDV-LJQANCHMSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001717964886 1421736419 /nfs/dbraw/zinc/73/64/19/1421736419.db2.gz GHLHOLQUWIATMR-ROUUACIJSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717991246 1421761224 /nfs/dbraw/zinc/76/12/24/1421761224.db2.gz DIIHUJVGUWZCSO-LRYGQEGESA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001733327867 1429513307 /nfs/dbraw/zinc/51/33/07/1429513307.db2.gz MGHRHDOXDOIJGZ-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001733348349 1429530233 /nfs/dbraw/zinc/53/02/33/1429530233.db2.gz GYNAEBIMAXDPTF-MOPGFXCFSA-N 2 0 345.531 3.287 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001733359507 1429541903 /nfs/dbraw/zinc/54/19/03/1429541903.db2.gz AZLIXOMVQUJQFQ-GOSISDBHSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001733360745 1429544501 /nfs/dbraw/zinc/54/45/01/1429544501.db2.gz YVDZNDDIOATYQT-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001733386028 1429573105 /nfs/dbraw/zinc/57/31/05/1429573105.db2.gz ZZIQPRDKFCWIBY-PKOBYXMFSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CCCC2)cc1 ZINC001733386934 1429574713 /nfs/dbraw/zinc/57/47/13/1429574713.db2.gz JQHRKJIRBVLONE-HXUWFJFHSA-N 2 0 345.531 3.100 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@]3(C2)CCCCN(C(=O)CCC[NH+](C)C)C3)C1 ZINC001733392051 1429582800 /nfs/dbraw/zinc/58/28/00/1429582800.db2.gz BLQMEINASRXTLL-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001722916781 1424254088 /nfs/dbraw/zinc/25/40/88/1424254088.db2.gz YGJAZGUHJMZSPZ-QZTJIDSGSA-N 2 0 345.531 3.403 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001722957632 1424279203 /nfs/dbraw/zinc/27/92/03/1424279203.db2.gz ZWRTZBCCLLEHHM-RBUKOAKNSA-N 2 0 335.536 3.093 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)cccc1C ZINC001723202336 1424319738 /nfs/dbraw/zinc/31/97/38/1424319738.db2.gz CBTWQIAAJDNDEU-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001723369834 1424373571 /nfs/dbraw/zinc/37/35/71/1424373571.db2.gz FJHQJQJJWANJBI-BUPXIBQPSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001723606961 1424486431 /nfs/dbraw/zinc/48/64/31/1424486431.db2.gz JABAYYPEQVDDND-RLWBPELLSA-N 2 0 349.563 3.386 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001723608859 1424490125 /nfs/dbraw/zinc/49/01/25/1424490125.db2.gz SCPRFKWNIFHVQL-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733541111 1429746770 /nfs/dbraw/zinc/74/67/70/1429746770.db2.gz WZYXWXKHMAQLOR-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724182377 1424715872 /nfs/dbraw/zinc/71/58/72/1424715872.db2.gz AFEDQLXYFPPMCG-CTNGQTDRSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001724307327 1424790314 /nfs/dbraw/zinc/79/03/14/1424790314.db2.gz ZHMNNZPCUPKTFM-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724532933 1424897228 /nfs/dbraw/zinc/89/72/28/1424897228.db2.gz GIZZYFHUNMDKJP-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001733565437 1429765926 /nfs/dbraw/zinc/76/59/26/1429765926.db2.gz ILTFTEXYNNGNAI-ACDBMABISA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001724727623 1425080187 /nfs/dbraw/zinc/08/01/87/1425080187.db2.gz OOHGKCGKIAFGON-IHPCNDPISA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+](Cc1ccccc1CNC(=O)C[NH+]1CCCC1)CC1CCCC1 ZINC001724741769 1425106982 /nfs/dbraw/zinc/10/69/82/1425106982.db2.gz QPYAVXPYTZVOTE-UHFFFAOYSA-N 2 0 343.515 3.021 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001724742486 1425110132 /nfs/dbraw/zinc/11/01/32/1425110132.db2.gz AMEUQJSDYHLPAK-VQIMIIECSA-N 2 0 343.515 3.095 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001724758935 1425129889 /nfs/dbraw/zinc/12/98/89/1425129889.db2.gz FJFSERRQNFQFHI-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP O=C(NCC1([NH2+]CC2=CCCCC2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001724797072 1425165632 /nfs/dbraw/zinc/16/56/32/1425165632.db2.gz PZURJRUIUQANDV-RBUKOAKNSA-N 2 0 345.531 3.132 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001724853989 1425221926 /nfs/dbraw/zinc/22/19/26/1425221926.db2.gz YCYUGYVNWBTTCI-HKUYNNGSSA-N 2 0 337.552 3.220 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001724858073 1425234936 /nfs/dbraw/zinc/23/49/36/1425234936.db2.gz UGKDHYWOTIOHIL-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001724889772 1425276086 /nfs/dbraw/zinc/27/60/86/1425276086.db2.gz ORNGRSPYNIPEBE-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724895935 1425287580 /nfs/dbraw/zinc/28/75/80/1425287580.db2.gz CVMJWUHPQFXEPQ-LYSGITKLSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001724995154 1425400044 /nfs/dbraw/zinc/40/00/44/1425400044.db2.gz JPSBGTNSPICWLO-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001725027551 1425448292 /nfs/dbraw/zinc/44/82/92/1425448292.db2.gz SLEDWRWPPPWOHD-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001725118296 1425578554 /nfs/dbraw/zinc/57/85/54/1425578554.db2.gz OQSLAXPIQFROAQ-RTBURBONSA-N 2 0 345.531 3.018 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001725136151 1425610823 /nfs/dbraw/zinc/61/08/23/1425610823.db2.gz DUYRJHAPJXOURW-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001725142988 1425623378 /nfs/dbraw/zinc/62/33/78/1425623378.db2.gz QYXLNUBOFFNEJT-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001725179732 1425702964 /nfs/dbraw/zinc/70/29/64/1425702964.db2.gz JJNDIKLISTXETM-VQIMIIECSA-N 2 0 343.531 3.072 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C/Cl)C(C)C ZINC001725212994 1425775033 /nfs/dbraw/zinc/77/50/33/1425775033.db2.gz KNTHDWOLXDKPRL-ZJJGVRJWSA-N 2 0 343.943 3.076 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CCC2CCCCC2)CCCCC1 ZINC001725227570 1425796140 /nfs/dbraw/zinc/79/61/40/1425796140.db2.gz PLIUHNRFDDWXTG-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CCC[N@H+](CCC(C)(C)C)C2 ZINC001725342311 1425992370 /nfs/dbraw/zinc/99/23/70/1425992370.db2.gz AMTDWGWETIIGMZ-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001725456204 1426122839 /nfs/dbraw/zinc/12/28/39/1426122839.db2.gz OHGMUYXLJGRCLN-UXHICEINSA-N 2 0 347.547 3.020 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001725500033 1426179646 /nfs/dbraw/zinc/17/96/46/1426179646.db2.gz ZHJOQPRXLUUOEP-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001725500031 1426179662 /nfs/dbraw/zinc/17/96/62/1426179662.db2.gz ZHJOQPRXLUUOEP-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001725574753 1426232343 /nfs/dbraw/zinc/23/23/43/1426232343.db2.gz OCLWLKVSKJPBNE-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001725612395 1426272851 /nfs/dbraw/zinc/27/28/51/1426272851.db2.gz WDIPKDJOOQWQOE-QKLQHJQFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001725628069 1426295172 /nfs/dbraw/zinc/29/51/72/1426295172.db2.gz LNWXEHLSBXDZLW-FPOVZHCZSA-N 2 0 347.547 3.332 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001725655391 1426338620 /nfs/dbraw/zinc/33/86/20/1426338620.db2.gz KTFALYMVNWRHKZ-PMACEKPBSA-N 2 0 347.547 3.237 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001725666427 1426349140 /nfs/dbraw/zinc/34/91/40/1426349140.db2.gz QRHWDRPBZGXUTR-QWNKOJSDSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001725674549 1426359223 /nfs/dbraw/zinc/35/92/23/1426359223.db2.gz GFBHLJYYPNVURI-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC001725678009 1426365049 /nfs/dbraw/zinc/36/50/49/1426365049.db2.gz OUGXBSOPNUTEGF-PKOBYXMFSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001725731428 1426401801 /nfs/dbraw/zinc/40/18/01/1426401801.db2.gz ALNPZNXYZREETJ-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725737676 1426412571 /nfs/dbraw/zinc/41/25/71/1426412571.db2.gz DWMJVRAIVDXRGA-MSOLQXFVSA-N 2 0 339.568 3.416 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725755213 1426434509 /nfs/dbraw/zinc/43/45/09/1426434509.db2.gz FXVIECAFANSJAW-ROUUACIJSA-N 2 0 339.568 3.273 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001725764357 1426446679 /nfs/dbraw/zinc/44/66/79/1426446679.db2.gz UYYYQAXBVITYKX-QGZVFWFLSA-N 2 0 339.568 3.370 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N(C)C1CC([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001725787868 1426473554 /nfs/dbraw/zinc/47/35/54/1426473554.db2.gz UXQYPFXFZBPWQA-MHJFOBGBSA-N 2 0 343.515 3.225 10 0 EGAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001725789401 1426474843 /nfs/dbraw/zinc/47/48/43/1426474843.db2.gz HVCSEAFOLVCKIZ-ACBHZAAOSA-N 2 0 335.536 3.042 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)c(F)c1 ZINC001725833969 1426513342 /nfs/dbraw/zinc/51/33/42/1426513342.db2.gz PMPHJTPJHOPYSO-UHFFFAOYSA-N 2 0 349.494 3.064 10 0 EGAERP CC(C)(C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001731391320 1427344153 /nfs/dbraw/zinc/34/41/53/1427344153.db2.gz FRLRAAAWKJSOCV-LJQANCHMSA-N 2 0 347.547 3.236 10 0 EGAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C)[NH+](CC)CC ZINC001731463000 1427439571 /nfs/dbraw/zinc/43/95/71/1427439571.db2.gz IJESQRZAMIYYLE-IPQPSQTFSA-N 2 0 337.552 3.265 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001731490593 1427465423 /nfs/dbraw/zinc/46/54/23/1427465423.db2.gz VIZYCHHSWBYQPB-BGYRXZFFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001731519997 1427508401 /nfs/dbraw/zinc/50/84/01/1427508401.db2.gz USWVUIJHXPJDIK-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001731546945 1427563825 /nfs/dbraw/zinc/56/38/25/1427563825.db2.gz ZHOKTSXAPCTGEH-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001731617529 1427665295 /nfs/dbraw/zinc/66/52/95/1427665295.db2.gz RSLYVBXVNRCYGK-PKOBYXMFSA-N 2 0 335.536 3.093 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H](C[NH2+]CCC(C)(C)C)C2)c1 ZINC001731682522 1427730044 /nfs/dbraw/zinc/73/00/44/1427730044.db2.gz WNDLYXTZWCQDKM-GOSISDBHSA-N 2 0 345.531 3.236 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C\c1ccccc1 ZINC001731730023 1427805800 /nfs/dbraw/zinc/80/58/00/1427805800.db2.gz QGQANUZOKUCTGY-CHURTQQKSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001731732972 1427811379 /nfs/dbraw/zinc/81/13/79/1427811379.db2.gz DYAINIYOLHUDAE-IAGOWNOFSA-N 2 0 341.499 3.337 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001731750225 1427845466 /nfs/dbraw/zinc/84/54/66/1427845466.db2.gz SVILZEIWWYMREH-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CC2(CCC2)C1 ZINC001731773486 1427887896 /nfs/dbraw/zinc/88/78/96/1427887896.db2.gz ZGDYWOQATJIYOS-IBGZPJMESA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1ccc(C(C)C)cc1 ZINC001731832323 1428043462 /nfs/dbraw/zinc/04/34/62/1428043462.db2.gz HYEDEGPIKLPMOR-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC/C=C/c1ccccc1 ZINC001731985775 1428196815 /nfs/dbraw/zinc/19/68/15/1428196815.db2.gz DNGZMOMZEOGESG-BLRGSVSVSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2C[C@H](C)CC(C)C ZINC001733598535 1429798017 /nfs/dbraw/zinc/79/80/17/1429798017.db2.gz HFJLBZCTUFGNOS-GUDVDZBRSA-N 2 0 337.552 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@@H](C)CC(C)C ZINC001733598539 1429798307 /nfs/dbraw/zinc/79/83/07/1429798307.db2.gz HFJLBZCTUFGNOS-OTWHNJEPSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001733599161 1429799972 /nfs/dbraw/zinc/79/99/72/1429799972.db2.gz MXJBZDIZZRMMIY-ZWKOTPCHSA-N 2 0 335.536 3.116 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC(C)C)C[C@H]21 ZINC001733601123 1429805611 /nfs/dbraw/zinc/80/56/11/1429805611.db2.gz MCTFOJJSLDGDRB-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001733681931 1429892719 /nfs/dbraw/zinc/89/27/19/1429892719.db2.gz MKDQMISZQRWLTE-KRWDZBQOSA-N 2 0 343.515 3.382 10 0 EGAERP CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001733779960 1430038852 /nfs/dbraw/zinc/03/88/52/1430038852.db2.gz ZXGTZXXREKLOFY-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001733806897 1430078466 /nfs/dbraw/zinc/07/84/66/1430078466.db2.gz ZBZKZHZBOWPTIK-SFHVURJKSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC001733808581 1430082066 /nfs/dbraw/zinc/08/20/66/1430082066.db2.gz JICKYUYYHSEQSC-HXUWFJFHSA-N 2 0 349.563 3.293 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001733836121 1430108818 /nfs/dbraw/zinc/10/88/18/1430108818.db2.gz PIIWBPGUFWZHCN-SFHVURJKSA-N 2 0 343.515 3.150 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733864765 1437692979 /nfs/dbraw/zinc/69/29/79/1437692979.db2.gz XZCBPEYRIZXKNK-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001733868315 1437695450 /nfs/dbraw/zinc/69/54/50/1437695450.db2.gz YXHMRFQJXJPMQF-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP CC1CC[NH+](CC(=O)NC2CC(C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001733955374 1437764039 /nfs/dbraw/zinc/76/40/39/1437764039.db2.gz ZYYUVKPWQPQYBF-UHFFFAOYSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001733975048 1437774797 /nfs/dbraw/zinc/77/47/97/1437774797.db2.gz XQTZJTDYTQQSOI-IRXDYDNUSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001734006317 1437798072 /nfs/dbraw/zinc/79/80/72/1437798072.db2.gz XHKOKPWKPDOFOT-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001734049942 1437839718 /nfs/dbraw/zinc/83/97/18/1437839718.db2.gz YHWCXCGLAYMWRO-DLBZAZTESA-N 2 0 333.520 3.259 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C)C1 ZINC001734050685 1437840641 /nfs/dbraw/zinc/84/06/41/1437840641.db2.gz FSJBGTIZOXSSHG-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001734056905 1437848712 /nfs/dbraw/zinc/84/87/12/1437848712.db2.gz DRGVDRBXIPLXOS-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001734092387 1437876698 /nfs/dbraw/zinc/87/66/98/1437876698.db2.gz ZSSXNFUNHGIMED-UHFFFAOYSA-N 2 0 325.541 3.173 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734094771 1437879014 /nfs/dbraw/zinc/87/90/14/1437879014.db2.gz VFCKSVGXVGTXQO-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734097510 1437881666 /nfs/dbraw/zinc/88/16/66/1437881666.db2.gz YPEQCRHNTVSDFS-PMACEKPBSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001734285788 1438013970 /nfs/dbraw/zinc/01/39/70/1438013970.db2.gz FIVYQOIKOCNYPW-PKOBYXMFSA-N 2 0 345.531 3.352 10 0 EGAERP Cc1c(C(=O)N(C)C[C@@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001734330752 1438054370 /nfs/dbraw/zinc/05/43/70/1438054370.db2.gz HSZZFCDSLJHSRX-CQSZACIVSA-N 2 0 330.476 3.129 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001734346325 1438065216 /nfs/dbraw/zinc/06/52/16/1438065216.db2.gz UMYRCELUBCAYPD-AZUAARDMSA-N 2 0 347.547 3.135 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001734396006 1438080931 /nfs/dbraw/zinc/08/09/31/1438080931.db2.gz UUGVPDKXZZLRKH-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734429976 1438093912 /nfs/dbraw/zinc/09/39/12/1438093912.db2.gz FYFRDIPNVQLIGI-WFRZBGSESA-N 2 0 335.536 3.188 10 0 EGAERP CCCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)cc1 ZINC001734453659 1438111425 /nfs/dbraw/zinc/11/14/25/1438111425.db2.gz AVQQZINFYBFEGD-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)[C@H]1C ZINC001734460621 1438117709 /nfs/dbraw/zinc/11/77/09/1438117709.db2.gz QQSVEMYWSZYCDJ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734476472 1438125452 /nfs/dbraw/zinc/12/54/52/1438125452.db2.gz NWJOFYCQGMVBQT-QZTJIDSGSA-N 2 0 349.563 3.480 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734482348 1438127768 /nfs/dbraw/zinc/12/77/68/1438127768.db2.gz OBRDYLCOUIJWKI-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001734505084 1438137021 /nfs/dbraw/zinc/13/70/21/1438137021.db2.gz SCLBWWYBDDFQTC-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734546671 1438142590 /nfs/dbraw/zinc/14/25/90/1438142590.db2.gz BJCCNYWWLCVXCY-FQEVSTJZSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001734550695 1438148395 /nfs/dbraw/zinc/14/83/95/1438148395.db2.gz XKXLKLPMLQGQDO-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C)CCC1 ZINC001734561676 1438158986 /nfs/dbraw/zinc/15/89/86/1438158986.db2.gz OLNQBRJFEGVYAK-INIZCTEOSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001734563384 1438160096 /nfs/dbraw/zinc/16/00/96/1438160096.db2.gz XNQOCIQOJCYPJQ-MOPGFXCFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001734576867 1438169810 /nfs/dbraw/zinc/16/98/10/1438169810.db2.gz PWOLRECCYQKMAE-QZTJIDSGSA-N 2 0 337.552 3.194 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]Cc2ccccc2)C1 ZINC001734605041 1438185329 /nfs/dbraw/zinc/18/53/29/1438185329.db2.gz NRRISYVSLLBQRS-UHFFFAOYSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001734632659 1438193930 /nfs/dbraw/zinc/19/39/30/1438193930.db2.gz OCYNESZSHFRYFB-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCC1 ZINC001750930681 1440112651 /nfs/dbraw/zinc/11/26/51/1440112651.db2.gz SXPPAFRCKAFYCJ-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2CCc3nc[nH]c3C2)CC1 ZINC000368104961 168311783 /nfs/dbraw/zinc/31/17/83/168311783.db2.gz MELJRDDLUINTFP-XBMUEBEBSA-N 2 0 338.499 3.300 10 0 EGAERP C(C1CC1)[N@@H+]1CCC[C@@]2(CC[NH+](C3CSCCSC3)C2)C1 ZINC000020453389 202042681 /nfs/dbraw/zinc/04/26/81/202042681.db2.gz FRWFHHBKAITBEV-QGZVFWFLSA-N 2 0 326.575 3.033 10 0 EGAERP CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000273190108 201255392 /nfs/dbraw/zinc/25/53/92/201255392.db2.gz GPVTVYMDMSJMIV-AGKXRFJRSA-N 2 0 338.499 3.464 10 0 EGAERP CCOC(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000276516464 201295439 /nfs/dbraw/zinc/29/54/39/201295439.db2.gz LNGVRJNFZTZRLV-MJGOQNOKSA-N 2 0 334.504 3.276 10 0 EGAERP [NH3+]C[C@@H]1Cc2cc(F)cc(-c3ccc(C[NH+]4CCCC4)cc3)c2O1 ZINC000067541030 202918097 /nfs/dbraw/zinc/91/80/97/202918097.db2.gz IUICIQWPVCGMAV-SFHVURJKSA-N 2 0 326.415 3.351 10 0 EGAERP COc1ccc2cc(C[NH2+]CC3CC[NH+](C[C@H](C)O)CC3)ccc2c1 ZINC000069699162 203037834 /nfs/dbraw/zinc/03/78/34/203037834.db2.gz IMOGGLZPOAFDQR-INIZCTEOSA-N 2 0 342.483 3.031 10 0 EGAERP C[C@H](c1ccc(Cl)cc1)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000069971695 203066066 /nfs/dbraw/zinc/06/60/66/203066066.db2.gz LUGUJVNPYCFVIJ-MRXNPFEDSA-N 2 0 335.923 3.360 10 0 EGAERP Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3CCC[C@@H]([NH+](C)C)CC3)cc2c1 ZINC000072134481 203166874 /nfs/dbraw/zinc/16/68/74/203166874.db2.gz XBMCYHXVWAIKGB-GOSISDBHSA-N 2 0 327.472 3.061 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)cc1 ZINC000246167233 296314135 /nfs/dbraw/zinc/31/41/35/296314135.db2.gz AVAFDVZXFMCIKM-UXPWSPDFSA-N 2 0 343.515 3.195 10 0 EGAERP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(N2CCOCC2)c1 ZINC000268862785 252311665 /nfs/dbraw/zinc/31/16/65/252311665.db2.gz CAXQMFGWVZFUCG-QGZVFWFLSA-N 2 0 343.515 3.191 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@H]21)c1ccc(OCC[NH+](C)C)cc1 ZINC000246835229 141038040 /nfs/dbraw/zinc/03/80/40/141038040.db2.gz BHRBTZORXSKNAB-QLIIJSOBSA-N 2 0 332.488 3.235 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222617 144128002 /nfs/dbraw/zinc/12/80/02/144128002.db2.gz LBUSXWKGMCUJEJ-RTBURBONSA-N 2 0 338.536 3.205 10 0 EGAERP Cc1nccn1-c1ccc([C@@H](C)Nc2ncnc3c2CN(C)CC3)cc1 ZINC000364075221 144390174 /nfs/dbraw/zinc/39/01/74/144390174.db2.gz IWAORQHMPPWPLL-CQSZACIVSA-N 2 0 348.454 3.132 10 0 EGAERP C[C@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000194485100 153340165 /nfs/dbraw/zinc/34/01/65/153340165.db2.gz LEDZNSODCXQEKD-LJQANCHMSA-N 2 0 329.532 3.330 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCC1 ZINC000310275185 154141529 /nfs/dbraw/zinc/14/15/29/154141529.db2.gz UQBLLUJBOGLQTB-VAMGGRTRSA-N 2 0 328.500 3.303 10 0 EGAERP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337486062 154377320 /nfs/dbraw/zinc/37/73/20/154377320.db2.gz IEKMUGMAGPJOOB-SJLPKXTDSA-N 2 0 347.503 3.377 10 0 EGAERP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000352784952 286904140 /nfs/dbraw/zinc/90/41/40/286904140.db2.gz YFWQUKXSXROVKO-GOSISDBHSA-N 2 0 348.510 3.212 10 0 EGAERP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)OCCCO1 ZINC000248950399 163046961 /nfs/dbraw/zinc/04/69/61/163046961.db2.gz BBPXXABRCOUSJL-XUVXKRRUSA-N 2 0 344.499 3.030 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000343768831 164030636 /nfs/dbraw/zinc/03/06/36/164030636.db2.gz NQLJHHPONXGSMZ-IBGZPJMESA-N 2 0 331.504 3.060 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000350920381 165082501 /nfs/dbraw/zinc/08/25/01/165082501.db2.gz RCBVOHXFMDATAX-HXUWFJFHSA-N 2 0 343.515 3.163 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2-c2ccnn2C)C[C@H]1C ZINC000351645098 165112169 /nfs/dbraw/zinc/11/21/69/165112169.db2.gz VBTFLADUAMDYMS-AEFFLSMTSA-N 2 0 326.488 3.392 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2-c2ccnn2C)C[C@H]1C ZINC000351645103 165113080 /nfs/dbraw/zinc/11/30/80/165113080.db2.gz VBTFLADUAMDYMS-SJLPKXTDSA-N 2 0 326.488 3.392 10 0 EGAERP COc1cc2c(NCCC[NH+]3C[C@H](C)O[C@@H](C)C3)cc[nH+]c2cc1F ZINC000359461546 167163156 /nfs/dbraw/zinc/16/31/56/167163156.db2.gz ZEQUEXSDUJVGLS-KBPBESRZSA-N 2 0 347.434 3.294 10 0 EGAERP CCn1nccc1CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000364955379 168005439 /nfs/dbraw/zinc/00/54/39/168005439.db2.gz NTMMJSPCDWRGAY-NQIIRXRSSA-N 2 0 340.515 3.430 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@H]21 ZINC000367619852 168250525 /nfs/dbraw/zinc/25/05/25/168250525.db2.gz XFFRZKNDZBGXST-QHAWAJNXSA-N 3 0 327.516 3.245 10 0 EGAERP CC(C)[NH+](CCCNC(=O)N[C@H](C[NH+](C)C)c1ccccc1)C(C)C ZINC000174131076 265025924 /nfs/dbraw/zinc/02/59/24/265025924.db2.gz JSUULKRWGYLZJW-LJQANCHMSA-N 2 0 348.535 3.097 10 0 EGAERP Cc1cc(C)cc(OCCC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000177710480 265273591 /nfs/dbraw/zinc/27/35/91/265273591.db2.gz BSNYNPVTEGVFQS-LJQANCHMSA-N 2 0 348.531 3.097 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000273259227 267007779 /nfs/dbraw/zinc/00/77/79/267007779.db2.gz XPIITGLORSPGGA-FQEVSTJZSA-N 2 0 343.559 3.356 10 0 EGAERP C[C@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000278831064 275278957 /nfs/dbraw/zinc/27/89/57/275278957.db2.gz TZITVOLKMYOYJR-YVSFHVDLSA-N 2 0 342.405 3.085 10 0 EGAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366283234 278057347 /nfs/dbraw/zinc/05/73/47/278057347.db2.gz MQKKPFIHMIOSNI-GTPINHCMSA-N 2 0 345.487 3.019 10 0 EGAERP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245845951 298029450 /nfs/dbraw/zinc/02/94/50/298029450.db2.gz JHLJTXCGTSDYAE-WCIQWLHISA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356230560 299046309 /nfs/dbraw/zinc/04/63/09/299046309.db2.gz MITGELIBYQVZLI-HQRMLTQVSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123625833 307541214 /nfs/dbraw/zinc/54/12/14/307541214.db2.gz MXKRVMDUSULFGQ-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199444 309066630 /nfs/dbraw/zinc/06/66/30/309066630.db2.gz XBABVFRFQMFNPA-IRXDYDNUSA-N 2 0 326.488 3.470 10 0 EGAERP OC1(C[NH2+][C@H]2CCC23CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000414309494 309072218 /nfs/dbraw/zinc/07/22/18/309072218.db2.gz RVQOMBIYCLWXKL-IBGZPJMESA-N 2 0 328.500 3.326 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H](CO)C2)CC1 ZINC000414330065 309073397 /nfs/dbraw/zinc/07/33/97/309073397.db2.gz DMVYXKYZWWLHFE-YFVAEKQCSA-N 2 0 330.516 3.223 10 0 EGAERP Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414717549 309097264 /nfs/dbraw/zinc/09/72/64/309097264.db2.gz ZSEPCKVPFDWWDE-OALUTQOASA-N 2 0 338.499 3.484 10 0 EGAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]1 ZINC000414715126 309096875 /nfs/dbraw/zinc/09/68/75/309096875.db2.gz YEIAAXWJFKZKSR-CKEIUWERSA-N 2 0 342.405 3.467 10 0 EGAERP COc1cc2c(c(C[NH2+]Cc3ccc([C@H](C)[NH3+])cc3)c1)O[C@H](C)C2 ZINC000414813239 309103199 /nfs/dbraw/zinc/10/31/99/309103199.db2.gz SYDKNFKTEWNQMJ-KGLIPLIRSA-N 2 0 326.440 3.328 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414840338 309104844 /nfs/dbraw/zinc/10/48/44/309104844.db2.gz NCEAQJQGZSNUFX-CABCVRRESA-N 2 0 337.895 3.345 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CCC(OCCC[NH+](C)C)CC3)c2c1 ZINC000302164673 308731667 /nfs/dbraw/zinc/73/16/67/308731667.db2.gz QTCCUXCLPCYRJF-UHFFFAOYSA-N 2 0 327.472 3.480 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)c2ccc(OC)cc2)CC1 ZINC000351848326 308884843 /nfs/dbraw/zinc/88/48/43/308884843.db2.gz BBTUKZJSIDEHAY-UHFFFAOYSA-N 2 0 332.488 3.322 10 0 EGAERP COc1cc2[nH+]ccc(NC3CC([NH+]4CCCCC4)C3)c2cc1OC ZINC000413274233 309024685 /nfs/dbraw/zinc/02/46/85/309024685.db2.gz WIDVGLGHVAMVRO-UHFFFAOYSA-N 2 0 341.455 3.103 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414945482 309110750 /nfs/dbraw/zinc/11/07/50/309110750.db2.gz RRSVUCBKYVMAFX-RWSFTLGLSA-N 2 0 329.257 3.107 10 0 EGAERP CC[C@H]1C[C@H](C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007153 309113876 /nfs/dbraw/zinc/11/38/76/309113876.db2.gz QXUAEYXNJKXIRV-DJABAAGCSA-N 2 0 334.479 3.314 10 0 EGAERP CC(C)C[C@@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076568 309118497 /nfs/dbraw/zinc/11/84/97/309118497.db2.gz CVZGVYCJRIRETL-DGCLKSJQSA-N 2 0 331.273 3.482 10 0 EGAERP Cn1c2ccc(C[NH2+][C@@H](CCC[NH3+])c3ccccc3)cc2sc1=O ZINC000415054945 309116991 /nfs/dbraw/zinc/11/69/91/309116991.db2.gz OECQFSCPRGLZMJ-INIZCTEOSA-N 2 0 341.480 3.170 10 0 EGAERP CC(C)C[C@@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415135501 309123069 /nfs/dbraw/zinc/12/30/69/309123069.db2.gz WSFJTTMBGPONTI-ICSRJNTNSA-N 2 0 341.503 3.204 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000415894940 309146633 /nfs/dbraw/zinc/14/66/33/309146633.db2.gz AMFKEKFQQCNOEG-HZPDHXFCSA-N 2 0 346.519 3.284 10 0 EGAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000415908863 309147626 /nfs/dbraw/zinc/14/76/26/309147626.db2.gz DXHGXGFALUFMAU-INIZCTEOSA-N 2 0 346.519 3.428 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000415940225 309150217 /nfs/dbraw/zinc/15/02/17/309150217.db2.gz DRLZSWCXPXWCCI-CVEARBPZSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@H](C)C1 ZINC000415948991 309150788 /nfs/dbraw/zinc/15/07/88/309150788.db2.gz ZGQSIKKAIZMOTE-INIZCTEOSA-N 2 0 346.519 3.428 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](C2CCCCC2)CC1 ZINC000415957828 309151131 /nfs/dbraw/zinc/15/11/31/309151131.db2.gz QBMLVLTUALMWAK-UHFFFAOYSA-N 2 0 344.503 3.278 10 0 EGAERP C[N@H+](CCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2)C1CCCCC1 ZINC000415998467 309153789 /nfs/dbraw/zinc/15/37/89/309153789.db2.gz SCJUQUJQYVUYHJ-UHFFFAOYSA-N 2 0 330.476 3.066 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000417816314 309223770 /nfs/dbraw/zinc/22/37/70/309223770.db2.gz PUHYMMHNQNCFFO-KDOFPFPSSA-N 2 0 325.456 3.049 10 0 EGAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418427352 309245826 /nfs/dbraw/zinc/24/58/26/309245826.db2.gz LCIDGJSAOGDDDX-SFHVURJKSA-N 2 0 346.519 3.030 10 0 EGAERP FC(F)(F)c1cccc([C@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420297055 309279808 /nfs/dbraw/zinc/27/98/08/309279808.db2.gz FERSZZRTTLPVNX-WMLDXEAASA-N 2 0 342.405 3.468 10 0 EGAERP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420326838 309282289 /nfs/dbraw/zinc/28/22/89/309282289.db2.gz XWOZZHYAGFZJNR-GFCCVEGCSA-N 2 0 344.286 3.253 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421866641 309344257 /nfs/dbraw/zinc/34/42/57/309344257.db2.gz BHBFVYHHRDRXDM-ZHALLVOQSA-N 2 0 345.556 3.415 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000422699062 309363591 /nfs/dbraw/zinc/36/35/91/309363591.db2.gz CIHSOCSFPCSADJ-YESZJQIVSA-N 2 0 326.488 3.396 10 0 EGAERP C[C@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1cccc(Br)c1 ZINC000422793548 309368743 /nfs/dbraw/zinc/36/87/43/309368743.db2.gz FSINPJBFXAHBEL-DNOWBOINSA-N 2 0 341.293 3.324 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422902091 309375201 /nfs/dbraw/zinc/37/52/01/309375201.db2.gz CWYXUMZLGZOQRH-ZDUSSCGKSA-N 2 0 344.528 3.467 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCCC[C@@H]3C[NH3+])c2)C[C@@H](C)O1 ZINC000422953398 309377858 /nfs/dbraw/zinc/37/78/58/309377858.db2.gz FFQPGJLGMQUELV-QQTQMKHKSA-N 2 0 331.504 3.225 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[NH2+]CC[C@@H]3C)c2)C[C@@H](C)O1 ZINC000422954299 309377889 /nfs/dbraw/zinc/37/78/89/309377889.db2.gz HWLPZVHDHWQMGH-TVKQPGBESA-N 2 0 331.504 3.096 10 0 EGAERP [NH3+]CC1CCC([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1 ZINC000422976958 309379170 /nfs/dbraw/zinc/37/91/70/309379170.db2.gz FDAJEVKNDVGQGB-UHFFFAOYSA-N 2 0 334.851 3.040 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC[C@H]1CCCCO1 ZINC000423029477 309381756 /nfs/dbraw/zinc/38/17/56/309381756.db2.gz ALQNTYDZPOWFAV-YVWKXTFCSA-N 2 0 330.472 3.181 10 0 EGAERP COc1ccc([C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423077112 309384673 /nfs/dbraw/zinc/38/46/73/309384673.db2.gz SMPFLBXBRYKTIT-TYPHKJRUSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1C[NH2+]C1 ZINC000423108044 309386251 /nfs/dbraw/zinc/38/62/51/309386251.db2.gz QQRUOVNWFUDLGP-UVLCPWPYSA-N 3 0 347.934 3.451 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000423107830 309386281 /nfs/dbraw/zinc/38/62/81/309386281.db2.gz FINLATNTSDTHSE-CUXUIYPMSA-N 2 0 344.499 3.426 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@@H]2CCOc3c(Br)cccc32)CC1 ZINC000423116760 309386830 /nfs/dbraw/zinc/38/68/30/309386830.db2.gz RLAORPYPQCZYMS-KOHJWAIASA-N 2 0 339.277 3.380 10 0 EGAERP COc1cccc([C@H]2C[C@H]([NH2+][C@@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000423153511 309388493 /nfs/dbraw/zinc/38/84/93/309388493.db2.gz HMDAIBUWKHMTRF-ZVZYQTTQSA-N 2 0 325.456 3.454 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000423292558 309394297 /nfs/dbraw/zinc/39/42/97/309394297.db2.gz NIEXVKNLZRDLOY-IRXDYDNUSA-N 3 0 341.499 3.498 10 0 EGAERP CC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]CC1 ZINC000423319743 309395042 /nfs/dbraw/zinc/39/50/42/309395042.db2.gz DVOAXBVLGGZCDI-ACDBMABISA-N 3 0 327.516 3.161 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1cccc2c1CCCN2 ZINC000423408322 309398876 /nfs/dbraw/zinc/39/88/76/309398876.db2.gz ACDMIHZHYKCHQJ-IFMALSPDSA-N 2 0 349.478 3.390 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423552848 309406165 /nfs/dbraw/zinc/40/61/65/309406165.db2.gz QCZUEGMRODJMNV-XAUMDUMWSA-N 2 0 344.524 3.365 10 0 EGAERP CS[C@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000425362648 309476151 /nfs/dbraw/zinc/47/61/51/309476151.db2.gz VKQUDUZROGBNHQ-OALUTQOASA-N 2 0 334.529 3.187 10 0 EGAERP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449178281 310042480 /nfs/dbraw/zinc/04/24/80/310042480.db2.gz XLLZWXJCOGKTCB-NSISKUIASA-N 2 0 330.516 3.485 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)CC(C)(C)C)CC1 ZINC000449201085 310044209 /nfs/dbraw/zinc/04/42/09/310044209.db2.gz CMDLWNKPTMVIRX-PXNSSMCTSA-N 2 0 332.532 3.469 10 0 EGAERP CNC(=O)[C@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212067 310044848 /nfs/dbraw/zinc/04/48/48/310044848.db2.gz IJAFNSPWSIYDFJ-IRXDYDNUSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449222235 310045570 /nfs/dbraw/zinc/04/55/70/310045570.db2.gz VWNAGVCKCNSTBU-IEBWSBKVSA-N 2 0 335.923 3.203 10 0 EGAERP CCO[C@@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449240377 310046992 /nfs/dbraw/zinc/04/69/92/310046992.db2.gz YRNCECLEKOFSGI-QZTJIDSGSA-N 2 0 340.552 3.449 10 0 EGAERP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449337936 310054653 /nfs/dbraw/zinc/05/46/53/310054653.db2.gz QUVUAHMLPVHZNC-RBUKOAKNSA-N 2 0 331.548 3.400 10 0 EGAERP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449343185 310055083 /nfs/dbraw/zinc/05/50/83/310055083.db2.gz ILJAQALOEJEALK-QGZVFWFLSA-N 2 0 338.499 3.013 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000449688077 310080917 /nfs/dbraw/zinc/08/09/17/310080917.db2.gz FIQGGUSKSGRNME-QUCCMNQESA-N 2 0 330.516 3.488 10 0 EGAERP C[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C[C@@H]1C ZINC000449967326 310096431 /nfs/dbraw/zinc/09/64/31/310096431.db2.gz UDRAXAORHHAGHY-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000453059150 310255063 /nfs/dbraw/zinc/25/50/63/310255063.db2.gz IJYFXGJEYICHJJ-GXRSIYKFSA-N 2 0 341.543 3.361 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H]2CCC[C@H]21 ZINC000453232107 310265607 /nfs/dbraw/zinc/26/56/07/310265607.db2.gz JCGAFKIIEJYLAT-FHLIZLRMSA-N 2 0 344.890 3.488 10 0 EGAERP C[N@H+](CCCC[NH2+]C1CCN(CCc2ccccc2)CC1)C1CC1 ZINC000453392440 310274430 /nfs/dbraw/zinc/27/44/30/310274430.db2.gz FJTSSCZADYUBJZ-UHFFFAOYSA-N 2 0 329.532 3.158 10 0 EGAERP C[N@H+](CCCC[NH2+][C@H](c1ccc(F)cc1)c1cnccn1)C1CC1 ZINC000453407095 310275409 /nfs/dbraw/zinc/27/54/09/310275409.db2.gz RTVAAEKETIPCEW-LJQANCHMSA-N 2 0 328.435 3.169 10 0 EGAERP Cc1cnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000453408214 310275635 /nfs/dbraw/zinc/27/56/35/310275635.db2.gz SNYPPXOFOMGXDU-WKCHPHFGSA-N 2 0 336.483 3.113 10 0 EGAERP c1ccc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CCOC2)cc1 ZINC000459460114 310554111 /nfs/dbraw/zinc/55/41/11/310554111.db2.gz IQQNOHNDTLKLEU-RXVVDRJESA-N 2 0 337.467 3.418 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCSC[C@@H](C)C2)CC1 ZINC000488376150 311062656 /nfs/dbraw/zinc/06/26/56/311062656.db2.gz DLWOOTXFQIMNRF-SFHVURJKSA-N 2 0 347.572 3.404 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000514086748 312224372 /nfs/dbraw/zinc/22/43/72/312224372.db2.gz CMYOXOUOSLHOBO-FSSWDIPSSA-N 2 0 341.543 3.156 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029358 312359509 /nfs/dbraw/zinc/35/95/09/312359509.db2.gz JSIWNBBPKVSCGV-UXHICEINSA-N 2 0 327.516 3.115 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)C1 ZINC000563423149 316019311 /nfs/dbraw/zinc/01/93/11/316019311.db2.gz CXELEXNVQPOUHP-QLFBSQMISA-N 2 0 346.425 3.003 10 0 EGAERP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000565227322 316295515 /nfs/dbraw/zinc/29/55/15/316295515.db2.gz VCNATTKGTVKVFB-DRZSPHRISA-N 2 0 327.266 3.378 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000571073805 317148096 /nfs/dbraw/zinc/14/80/96/317148096.db2.gz DCDWLHXQSPDLLX-IBGZPJMESA-N 2 0 348.531 3.261 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@H](O)C(F)F ZINC000571083717 317148813 /nfs/dbraw/zinc/14/88/13/317148813.db2.gz SOVWZZITINMPQG-IKGGRYGDSA-N 2 0 338.442 3.178 10 0 EGAERP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407974 317196152 /nfs/dbraw/zinc/19/61/52/317196152.db2.gz OCALOOHOPJXDDE-HOTGVXAUSA-N 2 0 329.419 3.302 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000379767027 324241940 /nfs/dbraw/zinc/24/19/40/324241940.db2.gz JERMVCMLJNOZKS-PFAUGDHASA-N 2 0 328.500 3.444 10 0 EGAERP C[NH+](C)C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC000578910092 325036506 /nfs/dbraw/zinc/03/65/06/325036506.db2.gz OPRYLWSMQJWMHW-SFHVURJKSA-N 2 0 349.494 3.057 10 0 EGAERP Cn1nccc1[C@@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000579462253 325113185 /nfs/dbraw/zinc/11/31/85/325113185.db2.gz WWRJRJJUZFYYOB-RWOIVKFCSA-N 2 0 342.531 3.190 10 0 EGAERP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@H](O)CC3CCCC3)cc2)CC1 ZINC000581880410 325396096 /nfs/dbraw/zinc/39/60/96/325396096.db2.gz JVCOAAWKRBAVCI-LJQANCHMSA-N 2 0 346.515 3.190 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C[C@H](C)O1 ZINC000241965683 455270237 /nfs/dbraw/zinc/27/02/37/455270237.db2.gz UUYSRAQLRODBNB-DAHSGPHPSA-N 2 0 328.500 3.443 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440426 460552000 /nfs/dbraw/zinc/55/20/00/460552000.db2.gz VOIHYSBMAQDRJQ-MISYRCLQSA-N 2 0 329.532 3.359 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183699739 455322646 /nfs/dbraw/zinc/32/26/46/455322646.db2.gz OLQJLMCAFNHFRB-UHFFFAOYSA-N 2 0 326.282 3.056 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809349 460569201 /nfs/dbraw/zinc/56/92/01/460569201.db2.gz OFOHIQMRIDNXKH-MAUKXSAKSA-N 2 0 328.460 3.009 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809351 460569610 /nfs/dbraw/zinc/56/96/10/460569610.db2.gz OFOHIQMRIDNXKH-YJBOKZPZSA-N 2 0 328.460 3.009 10 0 EGAERP C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623487253 460575658 /nfs/dbraw/zinc/57/56/58/460575658.db2.gz YTHPIUVALGNPLZ-IHPCNDPISA-N 2 0 329.532 3.359 10 0 EGAERP c1[nH]nc2c1C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000245679361 455354192 /nfs/dbraw/zinc/35/41/92/455354192.db2.gz ILMNVQGEISXKTN-YSTOQKLRSA-N 2 0 336.483 3.052 10 0 EGAERP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@H](C)C2)c2ccccc2C1 ZINC000095995510 454256284 /nfs/dbraw/zinc/25/62/84/454256284.db2.gz PRTMOXDYVKZOMO-LAUBAEHRSA-N 2 0 343.515 3.192 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3F)cc2)CC1 ZINC000078758054 454313549 /nfs/dbraw/zinc/31/35/49/454313549.db2.gz NJDZIODOPTZFOC-UHFFFAOYSA-N 2 0 346.421 3.211 10 0 EGAERP CCC(CC)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737361 454475067 /nfs/dbraw/zinc/47/50/67/454475067.db2.gz AABASBRFANNBSP-QGZVFWFLSA-N 2 0 345.531 3.455 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000122688800 454559153 /nfs/dbraw/zinc/55/91/53/454559153.db2.gz LGCTYVGCQHWEBA-KRWDZBQOSA-N 2 0 334.504 3.484 10 0 EGAERP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCC[C@H](c2ccccc2)C1 ZINC000623618781 460643805 /nfs/dbraw/zinc/64/38/05/460643805.db2.gz DOZFNCIAWKCUPW-UFYCRDLUSA-N 2 0 343.515 3.032 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000152661705 454708224 /nfs/dbraw/zinc/70/82/24/454708224.db2.gz UBYHMXLLTJLVII-AUUYWEPGSA-N 2 0 336.907 3.352 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3[C@@H]4CCO[C@H]4C34CCCC4)CC2)cc[nH+]1 ZINC000108376660 454796347 /nfs/dbraw/zinc/79/63/47/454796347.db2.gz WBMNZFWPHWZWRA-XUVXKRRUSA-N 2 0 341.499 3.235 10 0 EGAERP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@H](C)C1 ZINC000164964822 454892028 /nfs/dbraw/zinc/89/20/28/454892028.db2.gz VYYRENNSYRKYHC-DFEOGRTESA-N 2 0 335.561 3.451 10 0 EGAERP CCOC(=O)[C@H](c1ccccc1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000179483371 455051365 /nfs/dbraw/zinc/05/13/65/455051365.db2.gz GLQONWXDUZYGPY-JQHSSLGASA-N 2 0 327.428 3.070 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180448105 455172033 /nfs/dbraw/zinc/17/20/33/455172033.db2.gz MUMLYWSSNOOTNQ-FQEVSTJZSA-N 2 0 344.478 3.360 10 0 EGAERP C[C@H](c1ncc(C(C)(C)C)o1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000245466659 455308326 /nfs/dbraw/zinc/30/83/26/455308326.db2.gz JKMPUOYHEMDHPS-LSDHHAIUSA-N 2 0 337.508 3.058 10 0 EGAERP C[C@H]1CCN(CC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245566516 455331626 /nfs/dbraw/zinc/33/16/26/455331626.db2.gz FARRFVVQLLDDMZ-XJKSGUPXSA-N 2 0 332.835 3.058 10 0 EGAERP CC[NH+]1CCC(CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000174111639 455360942 /nfs/dbraw/zinc/36/09/42/455360942.db2.gz PEANRPMXDJENMM-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP OC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000245736598 455368851 /nfs/dbraw/zinc/36/88/51/455368851.db2.gz QYDHBOBGYOEKLI-OWZKRDHZSA-N 2 0 328.500 3.467 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000174252778 455374075 /nfs/dbraw/zinc/37/40/75/455374075.db2.gz YROQEBUYBJYTOO-QGZVFWFLSA-N 2 0 333.495 3.427 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000245766215 455376946 /nfs/dbraw/zinc/37/69/46/455376946.db2.gz QVIQNLLEUNITGV-ZFWWWQNUSA-N 2 0 342.430 3.459 10 0 EGAERP Cc1ccc(NC(=O)CN2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246441146 455490605 /nfs/dbraw/zinc/49/06/05/455490605.db2.gz DEBISDSHEVSZJN-PXNSSMCTSA-N 2 0 341.499 3.191 10 0 EGAERP C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)C[NH+]1CCO[C@@H]2CCCC[C@H]21 ZINC000246853621 455530272 /nfs/dbraw/zinc/53/02/72/455530272.db2.gz DDVHPDARDNMAIT-WTGUMLROSA-N 2 0 336.520 3.053 10 0 EGAERP Cc1cc(-c2noc([C@H](C)N3CC[C@@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245448 455607344 /nfs/dbraw/zinc/60/73/44/455607344.db2.gz XFFMZIATKDLWRR-IFXJQAMLSA-N 2 0 344.434 3.273 10 0 EGAERP C[N@@H+]1CCC[C@@H]2CN(Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953531 455659377 /nfs/dbraw/zinc/65/93/77/455659377.db2.gz FHXUGFFDCWSECP-GDBMZVCRSA-N 2 0 346.862 3.306 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000192845857 455705821 /nfs/dbraw/zinc/70/58/21/455705821.db2.gz ZQTBWXKQDQWBKE-INIZCTEOSA-N 2 0 349.485 3.313 10 0 EGAERP Cc1ccc(C[C@H](C)[N@H+](C)C[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000606540296 460693200 /nfs/dbraw/zinc/69/32/00/460693200.db2.gz GGFPECGJFJTTQV-UGKGYDQZSA-N 2 0 340.511 3.351 10 0 EGAERP C[C@@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[NH+](C)C ZINC000269041185 455772892 /nfs/dbraw/zinc/77/28/92/455772892.db2.gz UATDTINSDLRKMX-HNNXBMFYSA-N 2 0 339.911 3.008 10 0 EGAERP C[C@H](CCO)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000271818875 455773328 /nfs/dbraw/zinc/77/33/28/455773328.db2.gz BWUMGRUERUEBSC-LJQANCHMSA-N 2 0 344.543 3.472 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000617005840 460701446 /nfs/dbraw/zinc/70/14/46/460701446.db2.gz PEJJGRBHQJXQGS-LJQANCHMSA-N 2 0 343.515 3.275 10 0 EGAERP CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261862515 455960373 /nfs/dbraw/zinc/96/03/73/455960373.db2.gz WZYZBPQLYIOPSA-MTFMMBMASA-N 2 0 343.515 3.045 10 0 EGAERP [NH3+]Cc1ccc(-c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cc1 ZINC000262005513 455984126 /nfs/dbraw/zinc/98/41/26/455984126.db2.gz LUXUEZJMBREDPR-UHFFFAOYSA-N 2 0 334.423 3.458 10 0 EGAERP COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000188795060 456139570 /nfs/dbraw/zinc/13/95/70/456139570.db2.gz XVUMSQLKNBNKGB-HZPDHXFCSA-N 2 0 343.471 3.442 10 0 EGAERP Clc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc2c1OCCCO2 ZINC000297397236 456209064 /nfs/dbraw/zinc/20/90/64/456209064.db2.gz BVAVKQILUWAXPP-UHFFFAOYSA-N 2 0 343.814 3.439 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)cc1 ZINC000290010681 456215604 /nfs/dbraw/zinc/21/56/04/456215604.db2.gz CTAXQHGCLDJMNX-LJQANCHMSA-N 2 0 346.450 3.467 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@@H](C)C2)[C@H](C)C1 ZINC000297600062 456260972 /nfs/dbraw/zinc/26/09/72/456260972.db2.gz FSMRVDHCXXVJQI-HBFSDRIKSA-N 2 0 345.531 3.074 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@@H]3C(C)(C)C)cn2)CC1 ZINC000348082989 456465217 /nfs/dbraw/zinc/46/52/17/456465217.db2.gz JHHWPOJPEBYXQL-ROUUACIJSA-N 2 0 330.520 3.138 10 0 EGAERP Clc1ccc2ncc(CN3CCCC[C@H]([NH+]4CCCC4)C3)n2c1 ZINC000353139675 456516470 /nfs/dbraw/zinc/51/64/70/456516470.db2.gz NXMHAXANRQMWLJ-INIZCTEOSA-N 2 0 332.879 3.438 10 0 EGAERP CCC(CC)CCC[N@H+](C)CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662041130 462509429 /nfs/dbraw/zinc/50/94/29/462509429.db2.gz YHXIRWRRHCTGSH-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CCOc1cc(C[N@@H+]2C[C@@H](C)[C@](C)(C[NH3+])C2)ccc1OC(F)F ZINC000323352086 456653691 /nfs/dbraw/zinc/65/36/91/456653691.db2.gz TVIYCPBFHWRDDO-SJKOYZFVSA-N 2 0 328.403 3.103 10 0 EGAERP Clc1ccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)cc1 ZINC000324521463 456669276 /nfs/dbraw/zinc/66/92/76/456669276.db2.gz WITLAPNVYFHJOR-GASCZTMLSA-N 2 0 331.847 3.426 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@H]2CCC[C@@H]21 ZINC000353410910 456682935 /nfs/dbraw/zinc/68/29/35/456682935.db2.gz XRVMZAFIUNAHNP-AGIUHOORSA-N 2 0 329.307 3.473 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000283463293 456785126 /nfs/dbraw/zinc/78/51/26/456785126.db2.gz VQNIEYQONOFYIV-BVOGOJNSSA-N 2 0 329.532 3.040 10 0 EGAERP C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042345 456838241 /nfs/dbraw/zinc/83/82/41/456838241.db2.gz APNNWPPISKIBFU-JOCHJYFZSA-N 2 0 349.478 3.467 10 0 EGAERP Cc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1C ZINC000349409608 456963987 /nfs/dbraw/zinc/96/39/87/456963987.db2.gz RRTFFUSYDKIMLX-WCRBZPEASA-N 2 0 327.516 3.046 10 0 EGAERP C[NH+](CCCCC[N@@H+](C)C[C@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000354237250 457147499 /nfs/dbraw/zinc/14/74/99/457147499.db2.gz GCZRWGMJRLVAFC-KDURUIRLSA-N 2 0 326.525 3.159 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccsc3)cn2)CC1 ZINC000360026501 457209928 /nfs/dbraw/zinc/20/99/28/457209928.db2.gz ZKALHOXMADHFST-HNNXBMFYSA-N 2 0 330.501 3.136 10 0 EGAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000339841068 457303965 /nfs/dbraw/zinc/30/39/65/457303965.db2.gz AWXGCQQKDVXKIZ-HXUWFJFHSA-N 2 0 338.499 3.095 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000363543026 457360766 /nfs/dbraw/zinc/36/07/66/457360766.db2.gz CVAKTOVGEPKPOY-WDYCEAGBSA-N 2 0 327.472 3.091 10 0 EGAERP C[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000397554268 457487663 /nfs/dbraw/zinc/48/76/63/457487663.db2.gz JYXWIQBNSFVULD-HBFSDRIKSA-N 2 0 330.516 3.428 10 0 EGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397760789 457492629 /nfs/dbraw/zinc/49/26/29/457492629.db2.gz KYVUBGUNXPPQDE-OALUTQOASA-N 2 0 330.516 3.428 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620816 457684191 /nfs/dbraw/zinc/68/41/91/457684191.db2.gz XWXDDAIKWAIZIM-LAUBAEHRSA-N 2 0 342.527 3.149 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)CCc2ccccc2)CC1 ZINC000361521201 457769011 /nfs/dbraw/zinc/76/90/11/457769011.db2.gz ZLTQUQMMMGNBNI-KRWDZBQOSA-N 2 0 325.456 3.234 10 0 EGAERP C[NH+](C)CCc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000426463867 457835257 /nfs/dbraw/zinc/83/52/57/457835257.db2.gz VGEMGSRKTZHNCH-UHFFFAOYSA-N 2 0 331.504 3.241 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@@H](C)C1 ZINC000358315017 457929496 /nfs/dbraw/zinc/92/94/96/457929496.db2.gz GCWZIWHZJLZUPW-MUGJNUQGSA-N 2 0 340.552 3.044 10 0 EGAERP C[C@@H]([NH2+][C@@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000361887057 457930995 /nfs/dbraw/zinc/93/09/95/457930995.db2.gz BSQSZEHQSOAOKD-UTKZUKDTSA-N 2 0 342.483 3.401 10 0 EGAERP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539473 458307598 /nfs/dbraw/zinc/30/75/98/458307598.db2.gz AMNIKKSRUVHDSA-KPACCLEDSA-N 2 0 327.516 3.254 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459400757 458360083 /nfs/dbraw/zinc/36/00/83/458360083.db2.gz BSZRYLVNMOFKJF-UHFFFAOYSA-N 2 0 341.293 3.366 10 0 EGAERP C[C@@H]([NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1)[C@H](C)[NH3+] ZINC000423441258 458433454 /nfs/dbraw/zinc/43/34/54/458433454.db2.gz BEOLEOYOXUQHED-HWWQOWPSSA-N 2 0 341.293 3.242 10 0 EGAERP CC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(C)ccc1OC ZINC000423501389 458444355 /nfs/dbraw/zinc/44/43/55/458444355.db2.gz CRTBIHJCGFCUNT-QLOJAFMTSA-N 2 0 345.531 3.261 10 0 EGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccccc2o1 ZINC000423502501 458444903 /nfs/dbraw/zinc/44/49/03/458444903.db2.gz FBSTZTPGOBZDHD-ZLPCBKJTSA-N 2 0 327.472 3.300 10 0 EGAERP C[C@@H]1CC2(C[N@@H+]1Cc1coc(-c3ccc(F)cc3)n1)CC[NH2+]CC2 ZINC000424287661 458605763 /nfs/dbraw/zinc/60/57/63/458605763.db2.gz JLLKYKKPZFZITP-CQSZACIVSA-N 2 0 329.419 3.445 10 0 EGAERP Cc1cc(N[C@@H]2CC[N@H+](C)[C@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000462876330 458663774 /nfs/dbraw/zinc/66/37/74/458663774.db2.gz DMTRSZPIHFZAHP-CHWSQXEVSA-N 2 0 335.398 3.461 10 0 EGAERP Cc1cccc2c(C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)coc21 ZINC000424650576 458694725 /nfs/dbraw/zinc/69/47/25/458694725.db2.gz CDCMYHQXTMWLMO-UHFFFAOYSA-N 2 0 345.487 3.087 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216095 458719585 /nfs/dbraw/zinc/71/95/85/458719585.db2.gz MMPYLISXLKDDJN-LLVKDONJSA-N 2 0 349.381 3.064 10 0 EGAERP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240224 458727995 /nfs/dbraw/zinc/72/79/95/458727995.db2.gz BXSAFGVPCNYGBN-IBGZPJMESA-N 2 0 345.531 3.358 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000474923636 458905994 /nfs/dbraw/zinc/90/59/94/458905994.db2.gz HCBSPTPGDUZKMH-CTNGQTDRSA-N 2 0 331.548 3.432 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCOC(C)(C)C)CC1 ZINC000531785832 458978014 /nfs/dbraw/zinc/97/80/14/458978014.db2.gz QHZUVAFPIAVBQG-UHFFFAOYSA-N 2 0 333.520 3.123 10 0 EGAERP CC(C)(C)c1ccc(CC[NH+]2CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000577311962 459015221 /nfs/dbraw/zinc/01/52/21/459015221.db2.gz ANUMBUUCNBAVAL-UHFFFAOYSA-N 2 0 343.559 3.240 10 0 EGAERP c1c(C[NH2+]C[C@@H]2CCC[NH2+]C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000520197336 459038569 /nfs/dbraw/zinc/03/85/69/459038569.db2.gz JCVFJLVWBSSOGC-MRXNPFEDSA-N 2 0 339.487 3.149 10 0 EGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000532232518 459050766 /nfs/dbraw/zinc/05/07/66/459050766.db2.gz KVYSUWLNHOXGQP-LAUBAEHRSA-N 2 0 342.527 3.149 10 0 EGAERP COc1ccc(Br)c(CN2CC[C@@]3(C2)CCC[NH2+]C3)c1 ZINC000567871494 459182490 /nfs/dbraw/zinc/18/24/90/459182490.db2.gz GPBFCVFBDGQJRB-INIZCTEOSA-N 2 0 339.277 3.033 10 0 EGAERP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000481325072 459245032 /nfs/dbraw/zinc/24/50/32/459245032.db2.gz SKUPPPFYJGWPMN-DYXWJJEUSA-N 2 0 329.532 3.219 10 0 EGAERP Cc1ccc(C)c([C@@H]2C[N@H+](CCCc3cncn3C)[C@H](C)CO2)c1 ZINC000568527027 459303843 /nfs/dbraw/zinc/30/38/43/459303843.db2.gz OERNYWCFRHZZQJ-XLIONFOSSA-N 2 0 327.472 3.432 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000560514267 459363203 /nfs/dbraw/zinc/36/32/03/459363203.db2.gz VLGDLKQTFDMQPA-VSKRKVRLSA-N 2 0 341.543 3.422 10 0 EGAERP Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)c1 ZINC000540744425 459383640 /nfs/dbraw/zinc/38/36/40/459383640.db2.gz JQXLWMOZYFJRMP-HKUYNNGSSA-N 2 0 333.520 3.047 10 0 EGAERP Cc1cc(NCC2=CC[N@H+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000569056617 459386021 /nfs/dbraw/zinc/38/60/21/459386021.db2.gz LXLPZBHXLGIZCM-UHFFFAOYSA-N 2 0 333.382 3.240 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000561195341 459429504 /nfs/dbraw/zinc/42/95/04/459429504.db2.gz DLZIDNXUHLBPPX-SFHVURJKSA-N 2 0 343.515 3.021 10 0 EGAERP CC(C)CCN(CCC(C)C)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484925716 459436433 /nfs/dbraw/zinc/43/64/33/459436433.db2.gz OQRQNOCGTAZTKT-OALUTQOASA-N 2 0 339.568 3.322 10 0 EGAERP C[C@@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C[C@H]1n1ccnc1 ZINC000583124470 459486061 /nfs/dbraw/zinc/48/60/61/459486061.db2.gz CMWZFFMWSMZJLB-CZUORRHYSA-N 2 0 332.411 3.395 10 0 EGAERP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583198068 459500293 /nfs/dbraw/zinc/50/02/93/459500293.db2.gz CUSOKNPIYPHNCW-UEXGIBASSA-N 2 0 336.435 3.225 10 0 EGAERP C[C@@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592404540 459595449 /nfs/dbraw/zinc/59/54/49/459595449.db2.gz ZRLIYVBGDVBUGH-JQHSSLGASA-N 2 0 332.488 3.042 10 0 EGAERP CCn1nccc1CC[NH2+]C1[C@H](C)C[NH+](Cc2ccccc2)C[C@H]1C ZINC000562630782 459606194 /nfs/dbraw/zinc/60/61/94/459606194.db2.gz SXIQDQSGKQNYCC-QZTJIDSGSA-N 2 0 340.515 3.192 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3cccc(C)c3)CCC2)CC[NH2+]CC1 ZINC000592470713 459608518 /nfs/dbraw/zinc/60/85/18/459608518.db2.gz DYTXTOLMRLHPOY-QGZVFWFLSA-N 2 0 344.499 3.285 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592533 459672004 /nfs/dbraw/zinc/67/20/04/459672004.db2.gz WSMZRXOVSUUUHE-WBVHZDCISA-N 2 0 329.513 3.312 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(I)cc1 ZINC000596655899 459717120 /nfs/dbraw/zinc/71/71/20/459717120.db2.gz ZIOUTIIYYSWBQQ-BXUZGUMPSA-N 2 0 346.256 3.315 10 0 EGAERP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C1CC1 ZINC000563119696 459717744 /nfs/dbraw/zinc/71/77/44/459717744.db2.gz FQWGTCULDBBMPT-MJGOQNOKSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809929 459746324 /nfs/dbraw/zinc/74/63/24/459746324.db2.gz UKVSDCMPBRYAJC-HGHGUNKESA-N 2 0 349.478 3.238 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](CC)c2ccccc2F)CC[NH2+]CC1 ZINC000593318222 459839866 /nfs/dbraw/zinc/83/98/66/459839866.db2.gz BPBXWGKZVWJQHJ-YOEHRIQHSA-N 2 0 336.451 3.188 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000593323595 459842051 /nfs/dbraw/zinc/84/20/51/459842051.db2.gz QTHRGBWIRPOQLS-APWZRJJASA-N 2 0 332.488 3.398 10 0 EGAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000589076835 460026184 /nfs/dbraw/zinc/02/61/84/460026184.db2.gz NDIGTUABRJVOLE-UHFFFAOYSA-N 2 0 347.422 3.115 10 0 EGAERP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775704 460059242 /nfs/dbraw/zinc/05/92/42/460059242.db2.gz WXZSBTPKCYBWBX-VQTJNVASSA-N 2 0 339.483 3.262 10 0 EGAERP C(=C\C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)\C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777033 460261749 /nfs/dbraw/zinc/26/17/49/460261749.db2.gz XBRGTANPEAPRTG-YCIJERRISA-N 2 0 338.586 3.482 10 0 EGAERP C[C@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000631660697 460495161 /nfs/dbraw/zinc/49/51/61/460495161.db2.gz GEWZMJSZPJAVOA-SJCJKPOMSA-N 2 0 328.859 3.223 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cc(C)c(Br)cn2)CC1 ZINC000623403520 460530236 /nfs/dbraw/zinc/53/02/36/460530236.db2.gz ZEFHMODHRXVLBV-UHFFFAOYSA-N 2 0 340.309 3.364 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623903290 460769211 /nfs/dbraw/zinc/76/92/11/460769211.db2.gz BKYJNFOHHGAOGA-AEFFLSMTSA-N 2 0 344.503 3.095 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000629522342 460793914 /nfs/dbraw/zinc/79/39/14/460793914.db2.gz ZZLILFYXVPLJBW-HZPDHXFCSA-N 2 0 342.405 3.439 10 0 EGAERP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629522327 460794506 /nfs/dbraw/zinc/79/45/06/460794506.db2.gz ZWCMMGDRSUYEBJ-CQSZACIVSA-N 2 0 332.366 3.134 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629530564 460797487 /nfs/dbraw/zinc/79/74/87/460797487.db2.gz JWIFDALBUVIKSB-ZBFHGGJFSA-N 2 0 330.394 3.167 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1csc(-c2csc(C)n2)c1 ZINC000629528963 460797757 /nfs/dbraw/zinc/79/77/57/460797757.db2.gz OBELQYRQRHEPJX-LLVKDONJSA-N 2 0 325.503 3.067 10 0 EGAERP COc1ccc([C@@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1F ZINC000629589661 460817986 /nfs/dbraw/zinc/81/79/86/460817986.db2.gz ZTRJCJDRHCZEKG-QGZVFWFLSA-N 2 0 340.442 3.470 10 0 EGAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCC(=O)Nc1cccc3ccccc31)C2 ZINC000629592855 460818668 /nfs/dbraw/zinc/81/86/68/460818668.db2.gz FHAHMQYTCBADNK-OYRHEFFESA-N 2 0 337.467 3.100 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[NH2+][C@@H](CC)C2)cc1 ZINC000620904304 460822661 /nfs/dbraw/zinc/82/26/61/460822661.db2.gz LDZOQHZTSWUESZ-APWZRJJASA-N 2 0 331.504 3.131 10 0 EGAERP CCSc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000629673415 460861485 /nfs/dbraw/zinc/86/14/85/460861485.db2.gz LQRLVJVLJBUPMU-GOSISDBHSA-N 2 0 334.529 3.389 10 0 EGAERP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000624111231 460865645 /nfs/dbraw/zinc/86/56/45/460865645.db2.gz QDOQKGZCHZSPEH-RXVVDRJESA-N 2 0 332.532 3.469 10 0 EGAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000624271925 460941846 /nfs/dbraw/zinc/94/18/46/460941846.db2.gz MSBYHFVWGWJFAC-UWHLTILDSA-N 2 0 327.516 3.113 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@H]2CCc3ccccc32)CC1 ZINC000662196592 461108466 /nfs/dbraw/zinc/10/84/66/461108466.db2.gz NEVBWXWOQYIZPS-HXUWFJFHSA-N 2 0 329.532 3.064 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659020342 461142660 /nfs/dbraw/zinc/14/26/60/461142660.db2.gz ZJRBZQAUYHIRLF-HNNXBMFYSA-N 2 0 332.492 3.038 10 0 EGAERP CN(c1ccccc1)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662262981 461149665 /nfs/dbraw/zinc/14/96/65/461149665.db2.gz JMVVVMSKYJLERF-UHFFFAOYSA-N 2 0 335.495 3.433 10 0 EGAERP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360643 461155884 /nfs/dbraw/zinc/15/58/84/461155884.db2.gz NKMZXGPLVMIUIC-GGPKGHCWSA-N 2 0 332.488 3.043 10 0 EGAERP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284045 461164877 /nfs/dbraw/zinc/16/48/77/461164877.db2.gz WUJIRAXLZCJYFD-ROUUACIJSA-N 2 0 342.508 3.451 10 0 EGAERP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662283821 461165972 /nfs/dbraw/zinc/16/59/72/461165972.db2.gz VOTIXGZRFOLPGX-YLJYHZDGSA-N 2 0 340.442 3.220 10 0 EGAERP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298704 461175900 /nfs/dbraw/zinc/17/59/00/461175900.db2.gz XFXBWYZUXOFCFA-HKUYNNGSSA-N 2 0 343.515 3.342 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662402027 461232179 /nfs/dbraw/zinc/23/21/79/461232179.db2.gz FGNUIARWZXWRNA-FCEWJHQRSA-N 2 0 343.515 3.094 10 0 EGAERP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000638178071 461288526 /nfs/dbraw/zinc/28/85/26/461288526.db2.gz DZBOPANVEHYOIX-WOIUINJBSA-N 2 0 339.527 3.462 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)Cc1ccccc1 ZINC000668489304 461303404 /nfs/dbraw/zinc/30/34/04/461303404.db2.gz CQHRHFYCQIHPJA-XMSQKQJNSA-N 2 0 338.495 3.222 10 0 EGAERP COc1ccc(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c2ccccc12 ZINC000668785882 461434243 /nfs/dbraw/zinc/43/42/43/461434243.db2.gz PZUSPVVMSRWFHH-GOSISDBHSA-N 2 0 342.483 3.391 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655803917 461464313 /nfs/dbraw/zinc/46/43/13/461464313.db2.gz HYPTXOFUHWPPSI-HFSMHLIXSA-N 3 0 329.532 3.012 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000655806028 461465050 /nfs/dbraw/zinc/46/50/50/461465050.db2.gz XDKYXLROMFKKRH-LXHROKJGSA-N 3 0 341.543 3.217 10 0 EGAERP COc1cc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000655806272 461466609 /nfs/dbraw/zinc/46/66/09/461466609.db2.gz TYPTYHJHHNBQER-SGMGOOAPSA-N 2 0 328.403 3.287 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C1CC1)[C@H]1CCCCO1 ZINC000655812537 461470592 /nfs/dbraw/zinc/47/05/92/461470592.db2.gz QHYVSMDXIXIYOF-RTBURBONSA-N 2 0 326.444 3.013 10 0 EGAERP Cc1ncc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000666234734 461522386 /nfs/dbraw/zinc/52/23/86/461522386.db2.gz OYSBYLSWBRXEFA-OAHLLOKOSA-N 2 0 345.512 3.129 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]Cc2ccnn2CC2CCC2)ccc1F ZINC000631073370 461523948 /nfs/dbraw/zinc/52/39/48/461523948.db2.gz JCFZAYABHFVYNA-UHFFFAOYSA-N 2 0 330.451 3.174 10 0 EGAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631089140 461539083 /nfs/dbraw/zinc/53/90/83/461539083.db2.gz ADTDTVHMJXMXAK-UHFFFAOYSA-N 2 0 336.863 3.411 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccn2)c1 ZINC000647176782 461545140 /nfs/dbraw/zinc/54/51/40/461545140.db2.gz ZISUTEPXIRJCPE-UHFFFAOYSA-N 2 0 349.482 3.397 10 0 EGAERP [NH3+]C1CCC(C(=O)N[C@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000638850402 461617241 /nfs/dbraw/zinc/61/72/41/461617241.db2.gz FQKTYYUEFARAFD-MHJFOBGBSA-N 2 0 343.515 3.065 10 0 EGAERP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000647336720 461642338 /nfs/dbraw/zinc/64/23/38/461642338.db2.gz FIHAEGVRICUAKM-WFXMLNOXSA-N 2 0 332.532 3.469 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)CCC2CCCCC2)CC1 ZINC000663505317 461676064 /nfs/dbraw/zinc/67/60/64/461676064.db2.gz HNBRUHNSTWKXGJ-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000663504829 461676503 /nfs/dbraw/zinc/67/65/03/461676503.db2.gz AMLXGSNWICMNGD-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](c2ccccc2)C(C)C)CC1 ZINC000663506860 461677924 /nfs/dbraw/zinc/67/79/24/461677924.db2.gz WEGGQHJLCPXLCH-FQEVSTJZSA-N 2 0 345.531 3.006 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1Sc1ccccc1 ZINC000656268592 461693173 /nfs/dbraw/zinc/69/31/73/461693173.db2.gz FQEUFGMMCPAISF-CSFFLVESSA-N 2 0 334.529 3.255 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCCO2)cc1 ZINC000656402402 461732933 /nfs/dbraw/zinc/73/29/33/461732933.db2.gz FYDOOAHZTSFSQQ-ITBHCLRTSA-N 2 0 340.511 3.398 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCc3cccnc3)C2)cc1 ZINC000656403184 461733847 /nfs/dbraw/zinc/73/38/47/461733847.db2.gz AGWDTMTYGQQVAH-MLCQCVOFSA-N 2 0 347.506 3.467 10 0 EGAERP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)cn2)cc1 ZINC000647789528 461836085 /nfs/dbraw/zinc/83/60/85/461836085.db2.gz GYGVECWQADDCRL-SOLBZPMBSA-N 2 0 341.430 3.491 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706898 461900088 /nfs/dbraw/zinc/90/00/88/461900088.db2.gz VFCGRZNIPRYJGM-SBHAEUEKSA-N 2 0 344.499 3.194 10 0 EGAERP c1cc(N2CCC([NH2+]CC3([C@H]4CCCCO4)CCC3)CC2)cc[nH+]1 ZINC000639389331 461907411 /nfs/dbraw/zinc/90/74/11/461907411.db2.gz KOAMRVIMAPOICG-LJQANCHMSA-N 2 0 329.488 3.379 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCCOc2ccccc2)C1 ZINC000650725348 461917863 /nfs/dbraw/zinc/91/78/63/461917863.db2.gz YXFRBRUNXMKORO-RLLQIKCJSA-N 2 0 332.488 3.206 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccc(C)c1 ZINC000650759275 461938405 /nfs/dbraw/zinc/93/84/05/461938405.db2.gz HYXAUIZKDVJEMY-MRXNPFEDSA-N 2 0 325.456 3.221 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000650758731 461938541 /nfs/dbraw/zinc/93/85/41/461938541.db2.gz WPVIAQWXOHWIKW-GOSISDBHSA-N 2 0 326.440 3.418 10 0 EGAERP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000657297944 462027106 /nfs/dbraw/zinc/02/71/06/462027106.db2.gz QRWFUJAXXIYWRY-UHFFFAOYSA-N 3 0 347.466 3.153 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301321 462028192 /nfs/dbraw/zinc/02/81/92/462028192.db2.gz ZUUXLRPJNWVXIJ-PZJWPPBQSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cc2n(n1)CCC2 ZINC000657311772 462036344 /nfs/dbraw/zinc/03/63/44/462036344.db2.gz URLWRFBOJIUEBD-QGZVFWFLSA-N 2 0 338.499 3.494 10 0 EGAERP CCN(CC)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccco1 ZINC000657335648 462054763 /nfs/dbraw/zinc/05/47/63/462054763.db2.gz RHPVIUSAHXKENJ-GOSISDBHSA-N 2 0 339.443 3.033 10 0 EGAERP CC(C)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Nc1ccccc1 ZINC000657353111 462065552 /nfs/dbraw/zinc/06/55/52/462065552.db2.gz FCXMEUAPTURJPT-HXUWFJFHSA-N 2 0 335.455 3.494 10 0 EGAERP CC[C@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657387737 462089454 /nfs/dbraw/zinc/08/94/54/462089454.db2.gz ZLPIMKGKXVFWDY-PMACEKPBSA-N 2 0 346.515 3.215 10 0 EGAERP CCCCO[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657387157 462089561 /nfs/dbraw/zinc/08/95/61/462089561.db2.gz RWVQRHMGPIDKRU-MSOLQXFVSA-N 2 0 328.460 3.341 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+]Cc3cn(C4CCC4)nn3)CC2)CC1 ZINC000657416454 462109732 /nfs/dbraw/zinc/10/97/32/462109732.db2.gz SBLCKVFMBCNEFE-UHFFFAOYSA-N 2 0 331.508 3.136 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2sccc21 ZINC000651228248 462145707 /nfs/dbraw/zinc/14/57/07/462145707.db2.gz DOVRMVFTMDJQIR-IIDMSEBBSA-N 2 0 333.545 3.445 10 0 EGAERP c1cnc2c(c1)cccc2C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657534661 462170214 /nfs/dbraw/zinc/17/02/14/462170214.db2.gz CAJJRGAJWBUKJL-UHFFFAOYSA-N 2 0 339.483 3.215 10 0 EGAERP c1cnc2ccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cc2c1 ZINC000657536855 462172349 /nfs/dbraw/zinc/17/23/49/462172349.db2.gz RGASHMUIRKHYFW-UHFFFAOYSA-N 2 0 339.483 3.215 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000657827024 462286361 /nfs/dbraw/zinc/28/63/61/462286361.db2.gz KRCFEYOZCPMXFG-NRFANRHFSA-N 2 0 346.515 3.204 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657937706 462322921 /nfs/dbraw/zinc/32/29/21/462322921.db2.gz KVZTYQIQVPUMDT-IBGZPJMESA-N 2 0 344.499 3.005 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053496 462359212 /nfs/dbraw/zinc/35/92/12/462359212.db2.gz BJSZOWCNVKCAAU-FUHWJXTLSA-N 2 0 333.520 3.150 10 0 EGAERP c1ccc(C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CC2)cc1 ZINC000658067314 462365068 /nfs/dbraw/zinc/36/50/68/462365068.db2.gz LWTVBYBODVYMAX-JOCHJYFZSA-N 2 0 342.527 3.488 10 0 EGAERP Cc1ccncc1CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000658127110 462396217 /nfs/dbraw/zinc/39/62/17/462396217.db2.gz RJDLEEIFXSCXDI-QGZVFWFLSA-N 2 0 327.472 3.224 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658136260 462400075 /nfs/dbraw/zinc/40/00/75/462400075.db2.gz GJQRLBPKLDCMHH-SFTDATJTSA-N 2 0 339.483 3.279 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658136257 462400461 /nfs/dbraw/zinc/40/04/61/462400461.db2.gz GJQRLBPKLDCMHH-RTWAWAEBSA-N 2 0 339.483 3.279 10 0 EGAERP C[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000651984271 462401516 /nfs/dbraw/zinc/40/15/16/462401516.db2.gz YOSGCOUHIMIWRY-QZTJIDSGSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138828 462402830 /nfs/dbraw/zinc/40/28/30/462402830.db2.gz OLDAUFSODCDRRD-UZLBHIALSA-N 2 0 342.458 3.113 10 0 EGAERP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138823 462403038 /nfs/dbraw/zinc/40/30/38/462403038.db2.gz OLDAUFSODCDRRD-OXJNMPFZSA-N 2 0 342.458 3.113 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140267 462403988 /nfs/dbraw/zinc/40/39/88/462403988.db2.gz PGWDVDDTDNJCCZ-IFMALSPDSA-N 2 0 336.479 3.339 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)C1 ZINC000658141955 462405765 /nfs/dbraw/zinc/40/57/65/462405765.db2.gz YEMQRNNFXBVGSB-PKOBYXMFSA-N 2 0 326.440 3.013 10 0 EGAERP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000658143632 462406527 /nfs/dbraw/zinc/40/65/27/462406527.db2.gz ZPQBQHMLBRDCTH-YJBOKZPZSA-N 2 0 328.456 3.259 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1(C)C ZINC000652196274 462468460 /nfs/dbraw/zinc/46/84/60/462468460.db2.gz NHDUUXZAXAJONL-FQEVSTJZSA-N 2 0 344.547 3.319 10 0 EGAERP C[C@@H]1COCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319247 462474833 /nfs/dbraw/zinc/47/48/33/462474833.db2.gz YJDDXKIXBFEKOP-YZGWKJHDSA-N 2 0 328.500 3.303 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)Nc2ccc3c(c2F)CC[NH2+]C3)o1 ZINC000649360686 462486047 /nfs/dbraw/zinc/48/60/47/462486047.db2.gz FZKLIVGCSBEWBU-UHFFFAOYSA-N 2 0 345.418 3.159 10 0 EGAERP C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652246185 462488277 /nfs/dbraw/zinc/48/82/77/462488277.db2.gz MSTCUVGFOQYGIQ-IIBYNOLFSA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H](O)[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360283 462490011 /nfs/dbraw/zinc/49/00/11/462490011.db2.gz HSHBVRAEIVAFBV-FIKGOQFSSA-N 2 0 342.483 3.400 10 0 EGAERP O[C@@H]1CC[N@@H+](C2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000662155021 462532429 /nfs/dbraw/zinc/53/24/29/462532429.db2.gz IMVCKYOYSSDKDE-OAQYLSRUSA-N 2 0 338.495 3.303 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cncc(Br)c2)CC1 ZINC000183721106 528968453 /nfs/dbraw/zinc/96/84/53/528968453.db2.gz GWUJAFQNNIAIRD-UHFFFAOYSA-N 2 0 326.282 3.056 10 0 EGAERP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc(-c3ccccn3)s2)CC1 ZINC000351496002 536349242 /nfs/dbraw/zinc/34/92/42/536349242.db2.gz VNFRXYVNZGQZFE-UHFFFAOYSA-N 2 0 328.485 3.265 10 0 EGAERP O[C@H](C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000481035803 547963611 /nfs/dbraw/zinc/96/36/11/547963611.db2.gz LHECVQSPPZXUSP-NHCUHLMSSA-N 2 0 330.516 3.224 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@H]2CCC[C@H]21 ZINC000671743361 548349711 /nfs/dbraw/zinc/34/97/11/548349711.db2.gz SDFFIWCQRQCOFM-SOHDHNSJSA-N 2 0 349.469 3.254 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000676045865 549026966 /nfs/dbraw/zinc/02/69/66/549026966.db2.gz ZGQJRBWFUATTMO-GOSISDBHSA-N 2 0 332.488 3.208 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCC(F)(F)C2)CC1 ZINC000678994668 549612707 /nfs/dbraw/zinc/61/27/07/549612707.db2.gz RNRPXWWNSWPWPH-QGZVFWFLSA-N 2 0 337.458 3.496 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)[C@@H]1CCCCO1 ZINC000680128913 549825213 /nfs/dbraw/zinc/82/52/13/549825213.db2.gz LMOCPMLXOCKFRB-SFHVURJKSA-N 2 0 328.460 3.261 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000681303072 549980238 /nfs/dbraw/zinc/98/02/38/549980238.db2.gz YHYSOIPYEZIPLY-ROUUACIJSA-N 2 0 345.531 3.276 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000684367944 550320177 /nfs/dbraw/zinc/32/01/77/550320177.db2.gz JECNJCMDUMDUKB-KJNZLNQQSA-N 2 0 346.515 3.343 10 0 EGAERP C[C@@](O)(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000730080730 574921377 /nfs/dbraw/zinc/92/13/77/574921377.db2.gz IOFLVOQJHWALRC-TZIWHRDSSA-N 2 0 330.516 3.482 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000742376917 576775934 /nfs/dbraw/zinc/77/59/34/576775934.db2.gz FBDKEFVMNMCRPN-KRWDZBQOSA-N 2 0 339.524 3.098 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000397845541 1297704646 /nfs/dbraw/zinc/70/46/46/1297704646.db2.gz ICZHSFKIRNNKBE-UHFFFAOYSA-N 2 0 341.540 3.391 10 0 EGAERP [NH3+][C@@H]1C[C@H]2C[C@@]2(C(=O)Nc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000870875039 1296125751 /nfs/dbraw/zinc/12/57/51/1296125751.db2.gz UEHSXLUBNBTNHI-SQGPQFPESA-N 2 0 327.472 3.129 10 0 EGAERP CC[NH+](CC)C[C@H](O)CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000248272314 1296409826 /nfs/dbraw/zinc/40/98/26/1296409826.db2.gz WKUXXCRGYQIXNK-CYBMUJFWSA-N 2 0 341.377 3.368 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312899214 1297120239 /nfs/dbraw/zinc/12/02/39/1297120239.db2.gz YEYIQSPURFJELZ-BMFZPTHFSA-N 2 0 337.305 3.312 10 0 EGAERP c1cc(N2CCC([NH2+]C[C@H]3CCN3C3CCCCCC3)CC2)cc[nH+]1 ZINC000877733721 1299510231 /nfs/dbraw/zinc/51/02/31/1299510231.db2.gz XVFMZCLFDYNXMS-OAQYLSRUSA-N 2 0 342.531 3.437 10 0 EGAERP COC(=O)c1cc(CNC2CC[NH+](C3CCC3)CC2)[nH]c1C(C)C ZINC000894204643 1306274407 /nfs/dbraw/zinc/27/44/07/1306274407.db2.gz QYUFIKVZXNOXBL-UHFFFAOYSA-N 2 0 333.476 3.031 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894400344 1308855290 /nfs/dbraw/zinc/85/52/90/1308855290.db2.gz RREYNBSXPCEZIO-ZDUSSCGKSA-N 2 0 341.908 3.396 10 0 EGAERP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894454775 1308897204 /nfs/dbraw/zinc/89/72/04/1308897204.db2.gz XRTPBFSOEHCIGJ-QVHQYWGISA-N 2 0 344.499 3.217 10 0 EGAERP COC(=O)c1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)[nH]c1C(C)C ZINC000895455189 1309347031 /nfs/dbraw/zinc/34/70/31/1309347031.db2.gz VEFGZDLJGJBMQM-UHFFFAOYSA-N 2 0 335.492 3.277 10 0 EGAERP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000897065516 1310162520 /nfs/dbraw/zinc/16/25/20/1310162520.db2.gz SIOCOWKZPUJHAA-FQEVSTJZSA-N 2 0 327.472 3.015 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]CC[C@@H]4CCOC4)CC[C@@H]3C2)cc1 ZINC000898518422 1310774826 /nfs/dbraw/zinc/77/48/26/1310774826.db2.gz ILKGQZFWYMIGQR-CGXNFDGLSA-N 2 0 328.500 3.303 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929685461 1328668272 /nfs/dbraw/zinc/66/82/72/1328668272.db2.gz BGIZEVIMBOLZSP-XHSDSOJGSA-N 2 0 334.426 3.437 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000930806341 1328976836 /nfs/dbraw/zinc/97/68/36/1328976836.db2.gz PCCAELOQVPTHIS-CVEARBPZSA-N 2 0 343.393 3.094 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921514432 1322335435 /nfs/dbraw/zinc/33/54/35/1322335435.db2.gz YYCSJXQKOFRCCS-UHFFFAOYSA-N 2 0 326.488 3.040 10 0 EGAERP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921540744 1322345250 /nfs/dbraw/zinc/34/52/50/1322345250.db2.gz UHYXAJFLTWRKBO-UHFFFAOYSA-N 2 0 325.456 3.309 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921544995 1322347515 /nfs/dbraw/zinc/34/75/15/1322347515.db2.gz WFYVOJZNLHXPEU-HUUCEWRRSA-N 2 0 331.460 3.381 10 0 EGAERP Fc1cc(C[NH2+]Cc2ccnn2C2CCC2)ccc1-n1ccnc1 ZINC000921588024 1322359454 /nfs/dbraw/zinc/35/94/54/1322359454.db2.gz DMVMKZDHIYDUKD-UHFFFAOYSA-N 2 0 325.391 3.223 10 0 EGAERP Cc1cnc(Cl)c(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000921693966 1322379291 /nfs/dbraw/zinc/37/92/91/1322379291.db2.gz HUUCAKNMWKAWBO-UHFFFAOYSA-N 2 0 347.890 3.316 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C[C@H](C)O1 ZINC000921758319 1322394106 /nfs/dbraw/zinc/39/41/06/1322394106.db2.gz DBACLKZCNWOESO-CALCHBBNSA-N 2 0 348.535 3.057 10 0 EGAERP CSCc1ccc(C[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000921943014 1322426864 /nfs/dbraw/zinc/42/68/64/1322426864.db2.gz YMTVJBRZBLRSFT-UHFFFAOYSA-N 2 0 345.512 3.175 10 0 EGAERP CCCC[N@H+](C[C@H](O)CC1(O)CCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033860 1329033754 /nfs/dbraw/zinc/03/37/54/1329033754.db2.gz KZMVGWAEVLCJBJ-QGZVFWFLSA-N 2 0 340.552 3.064 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000922719954 1322602608 /nfs/dbraw/zinc/60/26/08/1322602608.db2.gz FUXHWGKVTLKGCJ-ZCNNSNEGSA-N 2 0 328.500 3.325 10 0 EGAERP COc1cc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc(OC)c1OC ZINC000922848057 1322631567 /nfs/dbraw/zinc/63/15/67/1322631567.db2.gz LGGGJWBLKRVVFH-UHFFFAOYSA-N 2 0 348.487 3.209 10 0 EGAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@H](O)COc2ccccc2)C1)C1CCCC1 ZINC000923427136 1322750349 /nfs/dbraw/zinc/75/03/49/1322750349.db2.gz SCZPLHGQCYANOW-HFSMHLIXSA-N 2 0 346.515 3.046 10 0 EGAERP Cc1oc(-c2cccs2)nc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923455679 1322754162 /nfs/dbraw/zinc/75/41/62/1322754162.db2.gz UUUFBSLUVVPDMJ-AWEZNQCLSA-N 2 0 347.484 3.041 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc3ccccc3nc1Cl)CC2 ZINC000923456024 1322754835 /nfs/dbraw/zinc/75/48/35/1322754835.db2.gz NSFLUXQPRQBYLC-MRXNPFEDSA-N 2 0 345.874 3.218 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1C[NH3+] ZINC000923499396 1322762697 /nfs/dbraw/zinc/76/26/97/1322762697.db2.gz KHFYQRGUQSXJPT-WMZOPIPTSA-N 2 0 325.456 3.077 10 0 EGAERP C[C@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923507239 1322765564 /nfs/dbraw/zinc/76/55/64/1322765564.db2.gz JHZDIHFGFVZWKR-UTUOFQBUSA-N 2 0 344.286 3.237 10 0 EGAERP CCSc1ccccc1C[C@@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924627236 1323083191 /nfs/dbraw/zinc/08/31/91/1323083191.db2.gz CXZUVXNKTFURFL-QGZVFWFLSA-N 2 0 349.588 3.345 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000924964966 1323231110 /nfs/dbraw/zinc/23/11/10/1323231110.db2.gz MLBHBMLEIITINV-NEPJUHHUSA-N 2 0 335.439 3.053 10 0 EGAERP COc1cc([C@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc2ccccc21 ZINC000924994461 1323239093 /nfs/dbraw/zinc/23/90/93/1323239093.db2.gz ULUDOUFAZLCZCM-IRXDYDNUSA-N 2 0 341.499 3.135 10 0 EGAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000925013128 1323244925 /nfs/dbraw/zinc/24/49/25/1323244925.db2.gz YPGRWTIVHHPNBD-WFASDCNBSA-N 2 0 338.293 3.153 10 0 EGAERP C[C@H](c1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1)C(F)(F)F ZINC000931481585 1329128163 /nfs/dbraw/zinc/12/81/63/1329128163.db2.gz UGAAGXMDXZAPSD-CQSZACIVSA-N 2 0 344.421 3.241 10 0 EGAERP CC[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)n1 ZINC000925439059 1325150302 /nfs/dbraw/zinc/15/03/02/1325150302.db2.gz HSZCADMPRIBLIW-BBWFWOEESA-N 2 0 335.492 3.020 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccnn1C1CCC1 ZINC000925438747 1325150328 /nfs/dbraw/zinc/15/03/28/1325150328.db2.gz DOYSGNNFJITENG-BRWVUGGUSA-N 2 0 334.508 3.148 10 0 EGAERP CC1(C)[C@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492736 1325174899 /nfs/dbraw/zinc/17/48/99/1325174899.db2.gz ICOLWZBBMSWLRA-MXSMSXNCSA-N 2 0 333.545 3.251 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cccc(F)c1 ZINC000925495763 1325176824 /nfs/dbraw/zinc/17/68/24/1325176824.db2.gz WOCPJRGOAABFIX-VAMGGRTRSA-N 2 0 333.495 3.186 10 0 EGAERP CC(C)Oc1cccc([C@H](O)C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925507248 1325183603 /nfs/dbraw/zinc/18/36/03/1325183603.db2.gz XGIPFNFLQIEHOF-PWRODBHTSA-N 2 0 346.515 3.265 10 0 EGAERP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925551994 1325204584 /nfs/dbraw/zinc/20/45/84/1325204584.db2.gz DSFPYAGRMMSCQV-LLUDDFSJSA-N 2 0 330.516 3.299 10 0 EGAERP Cc1ccc([C@H](CN[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000925557394 1325206738 /nfs/dbraw/zinc/20/67/38/1325206738.db2.gz OFIWNFVVQQDRPJ-AABGKKOBSA-N 2 0 345.531 3.483 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCCOCCOCc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925632011 1325239395 /nfs/dbraw/zinc/23/93/95/1325239395.db2.gz NJIDWHHDEZHBKP-MOPGFXCFSA-N 2 0 334.504 3.106 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000925631910 1325239902 /nfs/dbraw/zinc/23/99/02/1325239902.db2.gz YUXZNTMGPODTRV-BMGDILEWSA-N 2 0 340.870 3.270 10 0 EGAERP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639186 1325242235 /nfs/dbraw/zinc/24/22/35/1325242235.db2.gz KDGMJJUITSFPNC-OTWHNJEPSA-N 2 0 336.907 3.305 10 0 EGAERP CC(C)n1ncc2c1C[C@@H]([NH2+][C@@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925658139 1325251911 /nfs/dbraw/zinc/25/19/11/1325251911.db2.gz NIOXZPJMRDHDDO-OALUTQOASA-N 2 0 326.488 3.391 10 0 EGAERP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925678734 1325259482 /nfs/dbraw/zinc/25/94/82/1325259482.db2.gz WZMVJVQGDCFMOX-SJORKVTESA-N 2 0 341.421 3.401 10 0 EGAERP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925678732 1325259761 /nfs/dbraw/zinc/25/97/61/1325259761.db2.gz WZMVJVQGDCFMOX-IAGOWNOFSA-N 2 0 341.421 3.401 10 0 EGAERP c1ccc([C@H]2C[C@H]([NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CCO2)nc1 ZINC000925690311 1325261951 /nfs/dbraw/zinc/26/19/51/1325261951.db2.gz UTUNCBYWESPEQA-AJYBTWMASA-N 2 0 329.488 3.060 10 0 EGAERP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728724 1325271551 /nfs/dbraw/zinc/27/15/51/1325271551.db2.gz HBKUSOTWXUWZDU-YTQUADARSA-N 2 0 336.907 3.174 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000925728224 1325271997 /nfs/dbraw/zinc/27/19/97/1325271997.db2.gz JYJVAHQIVSLANC-XLAORIBOSA-N 2 0 330.472 3.004 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730156 1325272929 /nfs/dbraw/zinc/27/29/29/1325272929.db2.gz OAACLHQJERWJTQ-IPMKNSEASA-N 2 0 336.907 3.001 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1C[NH+]1CCCCC1 ZINC000925785886 1325302458 /nfs/dbraw/zinc/30/24/58/1325302458.db2.gz PWSLDFWDVNHKHV-HLIPFELVSA-N 3 0 345.531 3.187 10 0 EGAERP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925803230 1325307227 /nfs/dbraw/zinc/30/72/27/1325307227.db2.gz ODJCUCIKHCXACP-BSIFCXSSSA-N 2 0 339.483 3.209 10 0 EGAERP Cc1cc([C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2cccnc2)ccc1F ZINC000925802036 1325307898 /nfs/dbraw/zinc/30/78/98/1325307898.db2.gz CUJFGIBDQXXLTM-MDYRTPRTSA-N 2 0 327.447 3.454 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)c(C)o1 ZINC000925807608 1325310294 /nfs/dbraw/zinc/31/02/94/1325310294.db2.gz FXVJRNGXLWRECA-MRXNPFEDSA-N 2 0 327.472 3.152 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c2ccccc12 ZINC000925810827 1325311739 /nfs/dbraw/zinc/31/17/39/1325311739.db2.gz GKTSDJPFUOTPPY-RBUKOAKNSA-N 2 0 325.456 3.198 10 0 EGAERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000925813021 1325313014 /nfs/dbraw/zinc/31/30/14/1325313014.db2.gz QTCCGCCWXROFGD-MRXNPFEDSA-N 2 0 345.409 3.049 10 0 EGAERP CC(C)c1cccc2c1OCCC[C@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815929 1325313436 /nfs/dbraw/zinc/31/34/36/1325313436.db2.gz UHNAYFUIUBWIOJ-LJQANCHMSA-N 2 0 331.504 3.036 10 0 EGAERP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816233 1325314245 /nfs/dbraw/zinc/31/42/45/1325314245.db2.gz HAAXMASNIXYVHI-OAHLLOKOSA-N 2 0 345.512 3.013 10 0 EGAERP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925850558 1325329372 /nfs/dbraw/zinc/32/93/72/1325329372.db2.gz JINUPIIZAUHQFC-BRWVUGGUSA-N 2 0 336.520 3.256 10 0 EGAERP CCCC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925856359 1325332892 /nfs/dbraw/zinc/33/28/92/1325332892.db2.gz XFELHQUTGLSECQ-ROUUACIJSA-N 2 0 330.472 3.193 10 0 EGAERP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857874 1325333194 /nfs/dbraw/zinc/33/31/94/1325333194.db2.gz WZLPMEVIMAGGIE-GJZGRUSLSA-N 2 0 342.439 3.077 10 0 EGAERP O=C1O[C@@H](C[NH2+][C@H](CC2CCC2)c2ccccc2)CC12CC[NH2+]CC2 ZINC000925859746 1325334609 /nfs/dbraw/zinc/33/46/09/1325334609.db2.gz XZYNIVDJJRXXAO-RTBURBONSA-N 2 0 342.483 3.193 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876581 1325339617 /nfs/dbraw/zinc/33/96/17/1325339617.db2.gz BXCWUCBLOHEIQA-BZPMIXESSA-N 2 0 343.393 3.140 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(Br)c1 ZINC000925883394 1325342209 /nfs/dbraw/zinc/34/22/09/1325342209.db2.gz WCHSTJMDUKASLQ-UTUOFQBUSA-N 2 0 327.266 3.236 10 0 EGAERP COc1ccc2c(c1)C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)CC2 ZINC000925886562 1325343292 /nfs/dbraw/zinc/34/32/92/1325343292.db2.gz HVBOYPSTSJTCTJ-JAXLGGSGSA-N 2 0 336.479 3.201 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CN1Cc1ccccc1 ZINC000925887744 1325344411 /nfs/dbraw/zinc/34/44/11/1325344411.db2.gz LRUOJAHTTJDRNS-HWHRFOGPSA-N 2 0 349.522 3.298 10 0 EGAERP CSC1(C[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)CC[NH+](C)CC1 ZINC000926447931 1325558215 /nfs/dbraw/zinc/55/82/15/1325558215.db2.gz IRUSPAUEUSQAIO-FUHWJXTLSA-N 2 0 333.545 3.210 10 0 EGAERP COc1ccccc1[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000926665506 1327657718 /nfs/dbraw/zinc/65/77/18/1327657718.db2.gz GCFIGNRDXCJWML-YRNRMSPPSA-N 2 0 325.456 3.109 10 0 EGAERP CC(=O)NCc1ccc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926675484 1327661663 /nfs/dbraw/zinc/66/16/63/1327661663.db2.gz AEMBODQJRRUGNS-MRXNPFEDSA-N 2 0 339.483 3.235 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(O)cc(F)c1 ZINC000926691506 1327669313 /nfs/dbraw/zinc/66/93/13/1327669313.db2.gz BRFHCGMYYKBWRB-HNNXBMFYSA-N 2 0 343.446 3.489 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876931 1327751057 /nfs/dbraw/zinc/75/10/57/1327751057.db2.gz LTKMZUUAVFEPTI-XNFNUYLZSA-N 2 0 332.488 3.125 10 0 EGAERP C[C@H]([NH2+][C@H](CO)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926893320 1327760601 /nfs/dbraw/zinc/76/06/01/1327760601.db2.gz RXSHQWVPHVEVSS-UWJYYQICSA-N 2 0 326.484 3.393 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000927015559 1327821520 /nfs/dbraw/zinc/82/15/20/1327821520.db2.gz JIVZZHJGEAACCP-FHWLQOOXSA-N 2 0 338.536 3.205 10 0 EGAERP [NH3+]Cc1cc(F)cc(NC(=O)c2ccc(C[NH+]3CCCCC3)o2)c1 ZINC000927776670 1328137614 /nfs/dbraw/zinc/13/76/14/1328137614.db2.gz PSOGEFRBEAVBDP-UHFFFAOYSA-N 2 0 331.391 3.116 10 0 EGAERP CN1CC[NH+](CCCC[NH2+]Cc2cccc(CC3CCC3)c2)CC1 ZINC000865411740 1329693355 /nfs/dbraw/zinc/69/33/55/1329693355.db2.gz BXMLAOFYYSTLHZ-UHFFFAOYSA-N 2 0 329.532 3.146 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2nc(C(C)(C)C)cs2)C[C@H](C)O1 ZINC000865470977 1329701863 /nfs/dbraw/zinc/70/18/63/1329701863.db2.gz IAYHMDYIRPKDGP-GJZGRUSLSA-N 2 0 339.549 3.420 10 0 EGAERP CN(c1ccccc1C[NH2+]CC[C@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000865651803 1329725359 /nfs/dbraw/zinc/72/53/59/1329725359.db2.gz GARGDSQPYICMKJ-KRWDZBQOSA-N 2 0 347.572 3.450 10 0 EGAERP Cn1cc(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)c(Cl)n1 ZINC000865718022 1329732204 /nfs/dbraw/zinc/73/22/04/1329732204.db2.gz RXPXEMDBUPYMKH-UHFFFAOYSA-N 2 0 346.906 3.465 10 0 EGAERP COc1cc2c(cc1C[NH2+]C1CCC(C)([NH+](C)C)CC1)O[C@H](C)C2 ZINC000865765849 1329736454 /nfs/dbraw/zinc/73/64/54/1329736454.db2.gz OUYJXMIOHWONSB-FNMUINPESA-N 2 0 332.488 3.371 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000866225532 1330080654 /nfs/dbraw/zinc/08/06/54/1330080654.db2.gz ABJOYOONTOLWNU-BEFAXECRSA-N 2 0 333.495 3.065 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000866266168 1330087550 /nfs/dbraw/zinc/08/75/50/1330087550.db2.gz XSFPPJGINSOROU-FPDPHYFHSA-N 2 0 345.506 3.207 10 0 EGAERP F[C@@H]1COc2ccccc2[C@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000866289533 1330091442 /nfs/dbraw/zinc/09/14/42/1330091442.db2.gz FPYWKNUYXSPDCP-UYAOXDASSA-N 2 0 341.430 3.359 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)ccn1 ZINC000866388132 1330105319 /nfs/dbraw/zinc/10/53/19/1330105319.db2.gz BVBUJKFUWFTUCA-RTWAWAEBSA-N 2 0 343.515 3.231 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2[C@@H]4OC[C@H]5C[C@H]2C[C@H]45)C3)cc1 ZINC000866444387 1330113126 /nfs/dbraw/zinc/11/31/26/1330113126.db2.gz GWMQAJBXAVQJBU-FVDSRFTMSA-N 2 0 338.495 3.195 10 0 EGAERP CC(=O)N1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)c2ccccc2C1 ZINC000866516960 1330120914 /nfs/dbraw/zinc/12/09/14/1330120914.db2.gz FECYRYSDKNKTJQ-CKHPTIKVSA-N 2 0 343.515 3.332 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000866529765 1330122263 /nfs/dbraw/zinc/12/22/63/1330122263.db2.gz SDXXQSSUBONRMZ-PKOBYXMFSA-N 2 0 346.515 3.484 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323016695 1387266873 /nfs/dbraw/zinc/26/68/73/1387266873.db2.gz YPWUIWRJNNXUEN-RTBURBONSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001323148092 1387302838 /nfs/dbraw/zinc/30/28/38/1387302838.db2.gz JCJQEFHCTTVDHW-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001323148097 1387302990 /nfs/dbraw/zinc/30/29/90/1387302990.db2.gz JCJQEFHCTTVDHW-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001323157831 1387304107 /nfs/dbraw/zinc/30/41/07/1387304107.db2.gz FSHDKSDITYRWTQ-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001323157833 1387304145 /nfs/dbraw/zinc/30/41/45/1387304145.db2.gz FSHDKSDITYRWTQ-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001324249235 1387567274 /nfs/dbraw/zinc/56/72/74/1387567274.db2.gz IASCTNKIWDREPS-RRFGBZISSA-N 2 0 343.515 3.299 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001324646823 1387716933 /nfs/dbraw/zinc/71/69/33/1387716933.db2.gz IZVHQWXCDRTQLK-DYESRHJHSA-N 2 0 345.531 3.403 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001324671668 1387729303 /nfs/dbraw/zinc/72/93/03/1387729303.db2.gz GIGHSCRZFXWISZ-GHTZIAJQSA-N 2 0 343.515 3.041 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001324781756 1387770235 /nfs/dbraw/zinc/77/02/35/1387770235.db2.gz ASZTZRNDQAVKEG-OAQYLSRUSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001324892643 1387808028 /nfs/dbraw/zinc/80/80/28/1387808028.db2.gz LVWDEMSYPMNOOD-UHFFFAOYSA-N 2 0 349.563 3.291 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001195146451 1368388257 /nfs/dbraw/zinc/38/82/57/1368388257.db2.gz DVSULIISEKEJSY-OAHLLOKOSA-N 2 0 327.513 3.096 10 0 EGAERP C[N@H+](CCCC[NH+]1CCCCC1)[C@H]1CCN(c2ccccc2F)C1=O ZINC001197284734 1368780446 /nfs/dbraw/zinc/78/04/46/1368780446.db2.gz LENCCJJLGXUHLQ-IBGZPJMESA-N 2 0 347.478 3.129 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325426182 1387970068 /nfs/dbraw/zinc/97/00/68/1387970068.db2.gz DMYCJCPGRVRPOJ-YMHTTXFNSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001325600222 1388009845 /nfs/dbraw/zinc/00/98/45/1388009845.db2.gz ZRHGYWTUHCNECX-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CCC1CCCC1 ZINC001325600223 1388009863 /nfs/dbraw/zinc/00/98/63/1388009863.db2.gz ZRHGYWTUHCNECX-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1ccnc1 ZINC001325894353 1388067214 /nfs/dbraw/zinc/06/72/14/1388067214.db2.gz APSLISIGUVJDDV-XOIGSVRCSA-N 2 0 344.503 3.085 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001325918100 1388082014 /nfs/dbraw/zinc/08/20/14/1388082014.db2.gz DPDNZOMEPKZYAE-YZPMEYCISA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001118804791 1371232934 /nfs/dbraw/zinc/23/29/34/1371232934.db2.gz QBFKSADRAHVXKI-OAGGEKHMSA-N 2 0 339.524 3.237 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3C[C@@H](C)C[NH+]3C2)CC1 ZINC001123658349 1372544612 /nfs/dbraw/zinc/54/46/12/1372544612.db2.gz JLNIYNVLRRLGOG-MISYRCLQSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001326566083 1388241409 /nfs/dbraw/zinc/24/14/09/1388241409.db2.gz FGMFIZRQZFMDKJ-NCXUSEDFSA-N 2 0 337.552 3.170 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001326835260 1388325234 /nfs/dbraw/zinc/32/52/34/1388325234.db2.gz UIYUKTVFOAIDPE-GNAXCBTBSA-N 2 0 347.547 3.378 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@@H]4CCC[N@@H+]43)CCC2)C1 ZINC001326900458 1388343840 /nfs/dbraw/zinc/34/38/40/1388343840.db2.gz UVVBNQMJGMJCIA-MSOLQXFVSA-N 2 0 347.547 3.068 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001327164514 1388418368 /nfs/dbraw/zinc/41/83/68/1388418368.db2.gz UQBLVHTXIZPALX-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001327173183 1388422204 /nfs/dbraw/zinc/42/22/04/1388422204.db2.gz OAEFGLGLZPBZIR-APWZRJJASA-N 2 0 349.494 3.198 10 0 EGAERP c1cc(C[NH2+]C2CCC3(CCOCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC001327194204 1388435639 /nfs/dbraw/zinc/43/56/39/1388435639.db2.gz MQVZHNDZBIKOFQ-UHFFFAOYSA-N 2 0 326.444 3.096 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001265707989 1377162934 /nfs/dbraw/zinc/16/29/34/1377162934.db2.gz IEFNDHQLXVKDAJ-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CCCCCC1 ZINC001265883179 1377171664 /nfs/dbraw/zinc/17/16/64/1377171664.db2.gz YUXJBGYCXGHTHF-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266113139 1377190362 /nfs/dbraw/zinc/19/03/62/1377190362.db2.gz IHSFULRLRZHDIM-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001266143658 1377206147 /nfs/dbraw/zinc/20/61/47/1377206147.db2.gz SRFYVEDBHNMQLY-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001266159431 1377211124 /nfs/dbraw/zinc/21/11/24/1377211124.db2.gz PWMSTADGYUMHHA-ROUUACIJSA-N 2 0 343.515 3.060 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001266222317 1377233849 /nfs/dbraw/zinc/23/38/49/1377233849.db2.gz ADRFWDMREHDKQT-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001266224651 1377235756 /nfs/dbraw/zinc/23/57/56/1377235756.db2.gz BVMWKATWUGADRA-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001266238081 1377241367 /nfs/dbraw/zinc/24/13/67/1377241367.db2.gz JWEPHDVOIBHHLY-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001327291598 1388486856 /nfs/dbraw/zinc/48/68/56/1388486856.db2.gz QHVMUZAFGOIDRR-QZTJIDSGSA-N 2 0 349.563 3.220 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246028 1377244504 /nfs/dbraw/zinc/24/45/04/1377244504.db2.gz JQELLUBXVLEERB-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001266247624 1377245125 /nfs/dbraw/zinc/24/51/25/1377245125.db2.gz QJZYQTOWLIGRFF-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001266467955 1377314248 /nfs/dbraw/zinc/31/42/48/1377314248.db2.gz HARLNXMVDUCXRS-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001266489743 1377319810 /nfs/dbraw/zinc/31/98/10/1377319810.db2.gz PVNBDGFTACMWIL-DHAGBVFISA-N 2 0 345.531 3.036 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@H]1CCC[C@H](C)C1 ZINC001266575469 1377336073 /nfs/dbraw/zinc/33/60/73/1377336073.db2.gz PUEIBNDMTMGYHC-RBUKOAKNSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001268156120 1377489226 /nfs/dbraw/zinc/48/92/26/1377489226.db2.gz LYJKCBPKGQONGX-CEXWTWQISA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001268276678 1377505546 /nfs/dbraw/zinc/50/55/46/1377505546.db2.gz LKGLUCUKCURNKW-RDJZCZTQSA-N 2 0 349.544 3.098 10 0 EGAERP CC(C)C[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC(C)(C)C)n1ccnc1 ZINC001268951803 1377533125 /nfs/dbraw/zinc/53/31/25/1377533125.db2.gz FUYWWSNWWNEACQ-OKZBNKHCSA-N 2 0 346.519 3.192 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001269178050 1377541703 /nfs/dbraw/zinc/54/17/03/1377541703.db2.gz XLOARSGYBBQLBW-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001327477799 1388530132 /nfs/dbraw/zinc/53/01/32/1388530132.db2.gz BVQVFNADDSDQKQ-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CCC3CCCCC3)CC2)CCC1 ZINC001279574717 1378312682 /nfs/dbraw/zinc/31/26/82/1378312682.db2.gz VPHVMWCTHOOOKX-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001279636109 1378317001 /nfs/dbraw/zinc/31/70/01/1378317001.db2.gz IBLMQOCRROJULC-IBGZPJMESA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001279696387 1378318613 /nfs/dbraw/zinc/31/86/13/1378318613.db2.gz XIEWQWRYLMSLIW-FQEVSTJZSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@]2(CC[NH+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001327529485 1388550867 /nfs/dbraw/zinc/55/08/67/1388550867.db2.gz IGVCQDKCAYVHMJ-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001327529550 1388551300 /nfs/dbraw/zinc/55/13/00/1388551300.db2.gz IPUNXWCIAHHJOE-CTNGQTDRSA-N 2 0 349.563 3.388 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001282167579 1378482877 /nfs/dbraw/zinc/48/28/77/1378482877.db2.gz MHNXBWSBZPLWAO-IAGOWNOFSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001282677961 1378549343 /nfs/dbraw/zinc/54/93/43/1378549343.db2.gz LBCCMLHADFDDDK-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001282741446 1378592822 /nfs/dbraw/zinc/59/28/22/1378592822.db2.gz SKIFCKOMHVXFFW-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001282833823 1378634547 /nfs/dbraw/zinc/63/45/47/1378634547.db2.gz NVTTVGPYKLYPNA-MJGOQNOKSA-N 2 0 345.531 3.223 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001282946985 1378680710 /nfs/dbraw/zinc/68/07/10/1378680710.db2.gz JQKCMMQEFGIODD-BZSNNMDCSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001282977953 1378695220 /nfs/dbraw/zinc/69/52/20/1378695220.db2.gz RHYSHUQRODOCOW-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001283187331 1378756331 /nfs/dbraw/zinc/75/63/31/1378756331.db2.gz TXSDBDWLBOMPCI-VQIMIIECSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1C ZINC001283240598 1378769260 /nfs/dbraw/zinc/76/92/60/1378769260.db2.gz VOKAIXMLJRXQMP-LPHOPBHVSA-N 2 0 345.531 3.020 10 0 EGAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC001327681368 1388578539 /nfs/dbraw/zinc/57/85/39/1388578539.db2.gz ZBZZJINAPQOZOR-DNVCBOLYSA-N 2 0 330.472 3.172 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001283449344 1378944768 /nfs/dbraw/zinc/94/47/68/1378944768.db2.gz DLGPBPGMNIJPQJ-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001283508224 1378993171 /nfs/dbraw/zinc/99/31/71/1378993171.db2.gz FSMCRBKMWMNFQF-IBGZPJMESA-N 2 0 347.547 3.188 10 0 EGAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001147587461 1379046463 /nfs/dbraw/zinc/04/64/63/1379046463.db2.gz BYXWIQNFZFDDFW-UXHICEINSA-N 2 0 347.547 3.307 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001283652233 1379082442 /nfs/dbraw/zinc/08/24/42/1379082442.db2.gz DNXPTZLSAQBPNP-MSOLQXFVSA-N 2 0 345.531 3.367 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001283668112 1379097016 /nfs/dbraw/zinc/09/70/16/1379097016.db2.gz YMCBOEWGXTWRPW-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001283677444 1379105629 /nfs/dbraw/zinc/10/56/29/1379105629.db2.gz KTQHLXACZWRAOW-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001284014997 1379363852 /nfs/dbraw/zinc/36/38/52/1379363852.db2.gz DDLFAZVCKVZYJX-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001284019303 1379368033 /nfs/dbraw/zinc/36/80/33/1379368033.db2.gz XQGXAXVGQNFDOU-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001284034743 1379384923 /nfs/dbraw/zinc/38/49/23/1379384923.db2.gz VBZSMFOEHSVGSF-UEALOQRBSA-N 2 0 343.515 3.297 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001284130428 1379510345 /nfs/dbraw/zinc/51/03/45/1379510345.db2.gz WENJNFMCSBOQOM-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001284187572 1379579608 /nfs/dbraw/zinc/57/96/08/1379579608.db2.gz DFNRNTBEAAWEGK-IRXDYDNUSA-N 2 0 337.552 3.170 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001284192395 1379585091 /nfs/dbraw/zinc/58/50/91/1379585091.db2.gz RKAJKEQBHLDKCP-ZWKOTPCHSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001284210009 1379599651 /nfs/dbraw/zinc/59/96/51/1379599651.db2.gz LGPUOQHENYEYCQ-UYAOXDASSA-N 2 0 349.563 3.173 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001284350300 1379749518 /nfs/dbraw/zinc/74/95/18/1379749518.db2.gz ULBVVSPZNNSCRJ-GHOSXJJBSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001327937969 1388627676 /nfs/dbraw/zinc/62/76/76/1388627676.db2.gz BDIRKJITGSOMAS-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001327996660 1388641389 /nfs/dbraw/zinc/64/13/89/1388641389.db2.gz XNNNUWLONCFKGL-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001284652083 1380066586 /nfs/dbraw/zinc/06/65/86/1380066586.db2.gz FUPZRLDPXKMZMB-IBGZPJMESA-N 2 0 345.531 3.449 10 0 EGAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001284685892 1380097127 /nfs/dbraw/zinc/09/71/27/1380097127.db2.gz CIUWXQDXPZPRFM-MRXNPFEDSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001328016830 1388645517 /nfs/dbraw/zinc/64/55/17/1388645517.db2.gz DMSYXHQLDWCVCN-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284781360 1380204813 /nfs/dbraw/zinc/20/48/13/1380204813.db2.gz PWYVDTCSTHFXIY-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001328050600 1388654454 /nfs/dbraw/zinc/65/44/54/1388654454.db2.gz OYWYWAJSYKQRKU-QZTJIDSGSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@H+](CC(=O)NC1(C2CC[NH+](CCC(C)(C)C)CC2)CC1)C1CCC1 ZINC001284842178 1380262953 /nfs/dbraw/zinc/26/29/53/1380262953.db2.gz LFXVWHDSLJXPCI-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001284846818 1380270186 /nfs/dbraw/zinc/27/01/86/1380270186.db2.gz UUESNWHJUTWITL-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001284852997 1380278255 /nfs/dbraw/zinc/27/82/55/1380278255.db2.gz KJSCFOXSNVUSGD-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1F ZINC001328281407 1388712420 /nfs/dbraw/zinc/71/24/20/1388712420.db2.gz COGUBGMHEUTBBT-WMZOPIPTSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001290954639 1382117064 /nfs/dbraw/zinc/11/70/64/1382117064.db2.gz QLAVHSZYKIJNGI-HOTGVXAUSA-N 2 0 342.487 3.284 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001291619471 1382145531 /nfs/dbraw/zinc/14/55/31/1382145531.db2.gz BMZXZNLMMZDYFS-QGZVFWFLSA-N 2 0 331.504 3.445 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CC1CCC(C)CC1 ZINC001328674101 1388803781 /nfs/dbraw/zinc/80/37/81/1388803781.db2.gz MRXNTSKCMBXVEH-ACBHZAAOSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)CC[NH2+]C(C)(C)C)CC1 ZINC001297930839 1383295801 /nfs/dbraw/zinc/29/58/01/1383295801.db2.gz BMSFDRFBUGRPME-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001328753344 1388845280 /nfs/dbraw/zinc/84/52/80/1388845280.db2.gz RAZAADPSCHVFKD-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)[C@@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC001299822557 1383630629 /nfs/dbraw/zinc/63/06/29/1383630629.db2.gz QOCNYSCNGUIOJH-RBUKOAKNSA-N 2 0 343.515 3.131 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+](C(C)C)C1)C1CCCCC1 ZINC001300338366 1383660180 /nfs/dbraw/zinc/66/01/80/1383660180.db2.gz SGOVMFNWFJWDPO-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC001167601533 1383686629 /nfs/dbraw/zinc/68/66/29/1383686629.db2.gz DGVBIIHEYUKSPN-HKBOAZHASA-N 2 0 346.515 3.339 10 0 EGAERP C[C@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001301481979 1383717801 /nfs/dbraw/zinc/71/78/01/1383717801.db2.gz OGEQDPKRICQIEN-AEFFLSMTSA-N 2 0 347.503 3.068 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001328859286 1388889204 /nfs/dbraw/zinc/88/92/04/1388889204.db2.gz ODEGPNRKQZJIIY-MHJFOBGBSA-N 2 0 347.547 3.234 10 0 EGAERP OC[C@@H]1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001307804223 1384035396 /nfs/dbraw/zinc/03/53/96/1384035396.db2.gz HTBYJVFFEIGVHU-JOCHJYFZSA-N 2 0 344.543 3.426 10 0 EGAERP C[C@H]1OCC[C@]1(C)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001169270478 1384130438 /nfs/dbraw/zinc/13/04/38/1384130438.db2.gz GZOVMYAHMJMCMB-NQIIRXRSSA-N 2 0 330.516 3.488 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001316632770 1384495401 /nfs/dbraw/zinc/49/54/01/1384495401.db2.gz IPDQXOHUMXRQSI-VJANTYMQSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001316717722 1384536439 /nfs/dbraw/zinc/53/64/39/1384536439.db2.gz YQKXTXAGXGSPHK-MISYRCLQSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316806336 1384598567 /nfs/dbraw/zinc/59/85/67/1384598567.db2.gz GDXYBDGKMXEVMM-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001316812475 1384611054 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3.125 10 0 EGAERP C[C@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317024320 1384790413 /nfs/dbraw/zinc/79/04/13/1384790413.db2.gz JDMWRDIHFQUOSX-YLJYHZDGSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317041526 1384815225 /nfs/dbraw/zinc/81/52/25/1384815225.db2.gz CMSZJCABLRUVCH-VANUVFSVSA-N 2 0 337.552 3.099 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317059762 1384832621 /nfs/dbraw/zinc/83/26/21/1384832621.db2.gz YTCJSMGHTPZDRC-HMTUNPETSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]21 ZINC001317105121 1384868487 /nfs/dbraw/zinc/86/84/87/1384868487.db2.gz LBZGVQZXYOKXCS-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001317165654 1384929321 /nfs/dbraw/zinc/92/93/21/1384929321.db2.gz IXDMVOHOKDKAPC-IAGOWNOFSA-N 2 0 349.494 3.055 10 0 EGAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]Cc2ccccc2C2CC2)CC1 ZINC001317220266 1385000412 /nfs/dbraw/zinc/00/04/12/1385000412.db2.gz OKFAFEKRJZNSPU-UHFFFAOYSA-N 2 0 343.515 3.033 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001317221324 1385002265 /nfs/dbraw/zinc/00/22/65/1385002265.db2.gz FUCITJCRZLQGEH-UHFFFAOYSA-N 2 0 331.504 3.179 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241630 1385014469 /nfs/dbraw/zinc/01/44/69/1385014469.db2.gz MOFBZRNFLYTQOL-OXJNMPFZSA-N 2 0 343.515 3.031 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246625 1385019604 /nfs/dbraw/zinc/01/96/04/1385019604.db2.gz VXAJBNGHFWORDG-AZUAARDMSA-N 2 0 345.531 3.081 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317350671 1385100067 /nfs/dbraw/zinc/10/00/67/1385100067.db2.gz LRZQQAWXPUYLBI-SJORKVTESA-N 2 0 349.544 3.407 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001317508625 1385218003 /nfs/dbraw/zinc/21/80/03/1385218003.db2.gz DMEAZNZGRBKXSJ-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP CN(CC[NH2+]Cc1ccc(C2CC2)cc1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001317625069 1385359031 /nfs/dbraw/zinc/35/90/31/1385359031.db2.gz BCBFLOBECGWKDW-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001317746606 1385434594 /nfs/dbraw/zinc/43/45/94/1385434594.db2.gz JKULZIVZYIRQDQ-BGYRXZFFSA-N 2 0 347.547 3.284 10 0 EGAERP CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766806 1385456311 /nfs/dbraw/zinc/45/63/11/1385456311.db2.gz ISHJBRSQVYYPRW-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329154116 1388993579 /nfs/dbraw/zinc/99/35/79/1388993579.db2.gz WIYUQWWXOKUBLA-CVEARBPZSA-N 2 0 325.541 3.026 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484368 1385717061 /nfs/dbraw/zinc/71/70/61/1385717061.db2.gz YDCSEBDKBYYRAU-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001318524356 1385733764 /nfs/dbraw/zinc/73/37/64/1385733764.db2.gz LTSNPLCVSULWRY-IHEKOVBBSA-N 2 0 343.515 3.057 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001318543570 1385747096 /nfs/dbraw/zinc/74/70/96/1385747096.db2.gz XBOBLQJTDZJYJE-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686710 1385839887 /nfs/dbraw/zinc/83/98/87/1385839887.db2.gz REQATFQTIRVXKC-CTNGQTDRSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001318897466 1385873334 /nfs/dbraw/zinc/87/33/34/1385873334.db2.gz VDRAYVBTXKJTNR-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001318978872 1385907104 /nfs/dbraw/zinc/90/71/04/1385907104.db2.gz LGDCHKKJPGXQJD-FHWLQOOXSA-N 2 0 349.563 3.170 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001319031177 1385935896 /nfs/dbraw/zinc/93/58/96/1385935896.db2.gz CGYOHGBKVDKBRT-GOSISDBHSA-N 2 0 347.547 3.047 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001319145462 1385978566 /nfs/dbraw/zinc/97/85/66/1385978566.db2.gz RGLJWGJSMMLNRR-VOTSOKGWSA-N 2 0 349.563 3.389 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001698634075 1406277967 /nfs/dbraw/zinc/27/79/67/1406277967.db2.gz LKLJZEOKNNXAGL-ZWKOTPCHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001319644368 1386228490 /nfs/dbraw/zinc/22/84/90/1386228490.db2.gz ZBCVCLPDJPQAPT-MSOLQXFVSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001319659354 1386238675 /nfs/dbraw/zinc/23/86/75/1386238675.db2.gz JUIYGTNTNPMOFV-LJQANCHMSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319749587 1386279926 /nfs/dbraw/zinc/27/99/26/1386279926.db2.gz GURGHTDWINEPHM-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001319823178 1386318000 /nfs/dbraw/zinc/31/80/00/1386318000.db2.gz AIRZKNJORHTAFQ-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001320150809 1386537124 /nfs/dbraw/zinc/53/71/24/1386537124.db2.gz LUQXBKUKUFJDLH-UYAOXDASSA-N 2 0 349.563 3.482 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320735071 1386704883 /nfs/dbraw/zinc/70/48/83/1386704883.db2.gz QVPZOILSNOJYFC-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001698665089 1406315869 /nfs/dbraw/zinc/31/58/69/1406315869.db2.gz UEXLNLYTGVQIQP-RXVVDRJESA-N 2 0 345.531 3.101 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320928100 1386761350 /nfs/dbraw/zinc/76/13/50/1386761350.db2.gz GDGVCVZMXBPORL-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320929235 1386761822 /nfs/dbraw/zinc/76/18/22/1386761822.db2.gz RBDZILJDMAISCQ-XEDBTPMOSA-N 2 0 343.515 3.012 10 0 EGAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321661757 1386951218 /nfs/dbraw/zinc/95/12/18/1386951218.db2.gz BOJCWTOJQXTBGO-IXAFFOJKSA-N 2 0 343.515 3.059 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001698684413 1406331995 /nfs/dbraw/zinc/33/19/95/1406331995.db2.gz IJRIAEFRORVQMJ-PMACEKPBSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001321896926 1387005879 /nfs/dbraw/zinc/00/58/79/1387005879.db2.gz KXFXHIUJXAGVGU-TXPKVOOTSA-N 2 0 333.520 3.306 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001322158537 1387080968 /nfs/dbraw/zinc/08/09/68/1387080968.db2.gz TYGXRWXSSQOOOI-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001322505569 1387197566 /nfs/dbraw/zinc/19/75/66/1387197566.db2.gz MXFAASSEALOZFL-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001322656842 1387220497 /nfs/dbraw/zinc/22/04/97/1387220497.db2.gz CSLPRLMOCJMTLG-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001322694315 1387226684 /nfs/dbraw/zinc/22/66/84/1387226684.db2.gz PICKDEIEBJVQBS-GOSISDBHSA-N 2 0 347.547 3.472 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001698707616 1406349317 /nfs/dbraw/zinc/34/93/17/1406349317.db2.gz YMWMINKLELNWFK-FHWLQOOXSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001329474124 1389121532 /nfs/dbraw/zinc/12/15/32/1389121532.db2.gz HFWPHPTZUDDQHW-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@H](C)n2ccnc2)c1 ZINC001329560549 1389156479 /nfs/dbraw/zinc/15/64/79/1389156479.db2.gz OJWVRFUPBBEBHO-ROUUACIJSA-N 2 0 342.487 3.088 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC001329750327 1389218396 /nfs/dbraw/zinc/21/83/96/1389218396.db2.gz OFDOVPCNGPNFMP-WOJBJXKFSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001698719187 1406363983 /nfs/dbraw/zinc/36/39/83/1406363983.db2.gz INHURDFWOOWTIS-IRXDYDNUSA-N 2 0 343.515 3.065 10 0 EGAERP O=C(C[NH+]1CCCC1)NCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC001698719502 1406364370 /nfs/dbraw/zinc/36/43/70/1406364370.db2.gz QPSMLMUFRCQOAK-UHFFFAOYSA-N 2 0 343.515 3.069 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001329886652 1389246030 /nfs/dbraw/zinc/24/60/30/1389246030.db2.gz FMDAJATZWCKSHT-RTBURBONSA-N 2 0 349.494 3.075 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001698720570 1406366416 /nfs/dbraw/zinc/36/64/16/1406366416.db2.gz AFWGESFHKRBRAM-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001330474128 1389425539 /nfs/dbraw/zinc/42/55/39/1389425539.db2.gz CUHXWCYHUYNZIZ-ZCNNSNEGSA-N 2 0 347.547 3.045 10 0 EGAERP CC1CCC(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001330609454 1389469526 /nfs/dbraw/zinc/46/95/26/1389469526.db2.gz DXKKDHHVPODHHM-PWKSQPCKSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001330650084 1389482783 /nfs/dbraw/zinc/48/27/83/1389482783.db2.gz FPHSSTHQBCWFRO-AJYBTWMASA-N 2 0 349.563 3.029 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@H]2CCOC2)cc1 ZINC001330672696 1389492058 /nfs/dbraw/zinc/49/20/58/1389492058.db2.gz SQSMRFNJENALMV-ITBHCLRTSA-N 2 0 340.511 3.255 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001330697248 1389501488 /nfs/dbraw/zinc/50/14/88/1389501488.db2.gz IMONOBJNLBDVLO-AZUAARDMSA-N 2 0 345.531 3.122 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)CC1 ZINC001330697251 1389502052 /nfs/dbraw/zinc/50/20/52/1389502052.db2.gz IMONOBJNLBDVLO-UYAOXDASSA-N 2 0 345.531 3.122 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001330976758 1389583905 /nfs/dbraw/zinc/58/39/05/1389583905.db2.gz LTFCJWIURKJBCS-ROUUACIJSA-N 2 0 331.504 3.026 10 0 EGAERP CC[C@@H](F)C[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001331059469 1389615015 /nfs/dbraw/zinc/61/50/15/1389615015.db2.gz MKOXRNMCRYTDOZ-GOSISDBHSA-N 2 0 349.494 3.033 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001331546008 1389793106 /nfs/dbraw/zinc/79/31/06/1389793106.db2.gz WVHOUQUCGIAIQB-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001331576251 1389809333 /nfs/dbraw/zinc/80/93/33/1389809333.db2.gz NQJAIYGWCNZJFS-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001331926657 1389913647 /nfs/dbraw/zinc/91/36/47/1389913647.db2.gz MJADZQAKFPKGSZ-BUPXIBQPSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001332052190 1389960641 /nfs/dbraw/zinc/96/06/41/1389960641.db2.gz XDBFXYKBERJIDS-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001332111817 1389990611 /nfs/dbraw/zinc/99/06/11/1389990611.db2.gz OCWMYXQDGRCVKQ-YLJYHZDGSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001332151052 1390008632 /nfs/dbraw/zinc/00/86/32/1390008632.db2.gz YELRGSUMXOOCQN-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c1 ZINC001332414376 1390111184 /nfs/dbraw/zinc/11/11/84/1390111184.db2.gz XAEQSVWWCYMNMZ-IEBWSBKVSA-N 2 0 345.531 3.143 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001332438375 1390117686 /nfs/dbraw/zinc/11/76/86/1390117686.db2.gz RTYARXFMJOYWFB-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C/C=C(/C)COC)CC1 ZINC001332700976 1390160103 /nfs/dbraw/zinc/16/01/03/1390160103.db2.gz QAUCNNOVLGOSID-KZRVJCNKSA-N 2 0 349.494 3.211 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C(C)(C)C)C1 ZINC001332897250 1390211520 /nfs/dbraw/zinc/21/15/20/1390211520.db2.gz ASVRGGVAWMMSRV-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001332993488 1390232278 /nfs/dbraw/zinc/23/22/78/1390232278.db2.gz WQDRFMFFDQCILM-QFBILLFUSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001333407300 1390298098 /nfs/dbraw/zinc/29/80/98/1390298098.db2.gz VMYMLKIZVIGQDK-UHFFFAOYSA-N 2 0 337.552 3.149 10 0 EGAERP CCC(CC)C[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001333418189 1390299645 /nfs/dbraw/zinc/29/96/45/1390299645.db2.gz WCYFMFVFESQCJF-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc(C)n1 ZINC001341006062 1390423731 /nfs/dbraw/zinc/42/37/31/1390423731.db2.gz LOMQQIMBPMBLGA-UHFFFAOYSA-N 2 0 338.455 3.038 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001486441724 1391008371 /nfs/dbraw/zinc/00/83/71/1391008371.db2.gz WQDRFMFFDQCILM-VQIMIIECSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001698803308 1406481535 /nfs/dbraw/zinc/48/15/35/1406481535.db2.gz LVMTWNRSKRSWHX-GOSISDBHSA-N 2 0 349.563 3.316 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001479346274 1392221295 /nfs/dbraw/zinc/22/12/95/1392221295.db2.gz DXQBDTUAQYNMBR-BGYRXZFFSA-N 2 0 347.547 3.237 10 0 EGAERP Cc1c(C(=O)NC[C@H]2C[C@H]([NH2+]CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001479378340 1392228681 /nfs/dbraw/zinc/22/86/81/1392228681.db2.gz UYNSAFGOUWOEPY-QAQDUYKDSA-N 2 0 342.487 3.177 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001479389383 1392231213 /nfs/dbraw/zinc/23/12/13/1392231213.db2.gz AMYVGIDQAFRHAU-JPLJXNOCSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001479578160 1392279559 /nfs/dbraw/zinc/27/95/59/1392279559.db2.gz GHHJDBABXSFSFS-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001479600328 1392285285 /nfs/dbraw/zinc/28/52/85/1392285285.db2.gz OYKOHRGGAANCLC-VAMGGRTRSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ccc(C)cc1 ZINC001479645106 1392304298 /nfs/dbraw/zinc/30/42/98/1392304298.db2.gz JFRBVTNZAUJZOO-XUVXKRRUSA-N 2 0 345.531 3.050 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001479647319 1392306480 /nfs/dbraw/zinc/30/64/80/1392306480.db2.gz KLBNYQSECSSSEU-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001479707000 1392330529 /nfs/dbraw/zinc/33/05/29/1392330529.db2.gz ZSHIBASDENZRDB-DFOOCIKTSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1cc(C)c(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(C)c1 ZINC001479729364 1392341583 /nfs/dbraw/zinc/34/15/83/1392341583.db2.gz UHKNIORBVJTYES-QUCCMNQESA-N 2 0 345.531 3.031 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001479778811 1392383561 /nfs/dbraw/zinc/38/35/61/1392383561.db2.gz YBLCFSDPFJZOEJ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001479797166 1392395441 /nfs/dbraw/zinc/39/54/41/1392395441.db2.gz VDNCXTGWTGJDLJ-MJGOQNOKSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479803699 1392401078 /nfs/dbraw/zinc/40/10/78/1392401078.db2.gz AQJBFNMVAARPRV-KRWDZBQOSA-N 2 0 349.494 3.057 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001479905095 1392471875 /nfs/dbraw/zinc/47/18/75/1392471875.db2.gz QKPJKYNHLJBABN-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001479906284 1392473550 /nfs/dbraw/zinc/47/35/50/1392473550.db2.gz VSTSOVFAVKXYBJ-VGOKWCNXSA-N 2 0 340.471 3.193 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001479971806 1392508389 /nfs/dbraw/zinc/50/83/89/1392508389.db2.gz FFCPNIWCZHKDTG-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001479984279 1392516932 /nfs/dbraw/zinc/51/69/32/1392516932.db2.gz RKAKFEVXLIFUHW-GBESFXJTSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001479993940 1392525171 /nfs/dbraw/zinc/52/51/71/1392525171.db2.gz WQDSQEUNMZUVGM-UHFFFAOYSA-N 2 0 349.563 3.364 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001479994304 1392525858 /nfs/dbraw/zinc/52/58/58/1392525858.db2.gz JZHPQOUNRZFAGD-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C2CC2)C1 ZINC001480041646 1392547515 /nfs/dbraw/zinc/54/75/15/1392547515.db2.gz SVDBTEODUJEKKV-VQTJNVASSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001480300796 1392666205 /nfs/dbraw/zinc/66/62/05/1392666205.db2.gz QIKQWENNWLAXGB-WOJBJXKFSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001480317338 1392677622 /nfs/dbraw/zinc/67/76/22/1392677622.db2.gz BSWBQJSWOJDMFM-WFRZBGSESA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001480328233 1392687973 /nfs/dbraw/zinc/68/79/73/1392687973.db2.gz PGWFSBRMJOGJBR-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001480367734 1392710560 /nfs/dbraw/zinc/71/05/60/1392710560.db2.gz LVLMFDMJVZYLGS-OALUTQOASA-N 2 0 349.494 3.081 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001480458641 1392759475 /nfs/dbraw/zinc/75/94/75/1392759475.db2.gz FMZBLAFPNGMCFA-AZUAARDMSA-N 2 0 345.531 3.079 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001480458643 1392759489 /nfs/dbraw/zinc/75/94/89/1392759489.db2.gz FMZBLAFPNGMCFA-QUCCMNQESA-N 2 0 345.531 3.079 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480619370 1392823451 /nfs/dbraw/zinc/82/34/51/1392823451.db2.gz ULCDECNOHZCETK-HKUYNNGSSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)(C(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001480697435 1392861110 /nfs/dbraw/zinc/86/11/10/1392861110.db2.gz FHPPZDBMTJCPFM-RBUKOAKNSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001480783438 1392931053 /nfs/dbraw/zinc/93/10/53/1392931053.db2.gz HAOAPVQLDGFYSS-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC(C)C ZINC001480995695 1393075873 /nfs/dbraw/zinc/07/58/73/1393075873.db2.gz YXYQWLYBXMIPEC-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CCc1cccc(C[N@H+](CC)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001481018421 1393094300 /nfs/dbraw/zinc/09/43/00/1393094300.db2.gz LNOFJQNWKBLCEW-QZTJIDSGSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC001481019555 1393095741 /nfs/dbraw/zinc/09/57/41/1393095741.db2.gz XEZAHXRFDQRTHK-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCCC1)[NH+]1CCCC1 ZINC001481053978 1393107821 /nfs/dbraw/zinc/10/78/21/1393107821.db2.gz WJGVDSIPHRRDGU-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](CC)CC ZINC001481058778 1393109085 /nfs/dbraw/zinc/10/90/85/1393109085.db2.gz ZPDAITLJBZWJFM-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CCC(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001481103871 1393120457 /nfs/dbraw/zinc/12/04/57/1393120457.db2.gz MBHFVFGCFWQPTM-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001481245589 1393153097 /nfs/dbraw/zinc/15/30/97/1393153097.db2.gz KPPZADZOAGPRQM-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C\Cl)CC1)[NH+](CC)CC ZINC001481339962 1393167747 /nfs/dbraw/zinc/16/77/47/1393167747.db2.gz GILDJELRVPVRLB-LLEPODOPSA-N 2 0 343.943 3.076 10 0 EGAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001698895957 1406628837 /nfs/dbraw/zinc/62/88/37/1406628837.db2.gz ZJZLBBSNTRPWLF-PKOBYXMFSA-N 2 0 347.547 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001698896292 1406629072 /nfs/dbraw/zinc/62/90/72/1406629072.db2.gz YJUKGLKITBOTNM-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698928855 1406665069 /nfs/dbraw/zinc/66/50/69/1406665069.db2.gz MXDMWPSWWQSJHH-YMHTTXFNSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481462143 1394319027 /nfs/dbraw/zinc/31/90/27/1394319027.db2.gz PZCVQZPIAMRPAL-MOPGFXCFSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481494941 1394340324 /nfs/dbraw/zinc/34/03/24/1394340324.db2.gz CMPSSSYLZGDWIW-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001490805517 1394351423 /nfs/dbraw/zinc/35/14/23/1394351423.db2.gz RQBVCACHKFMOKO-KDURUIRLSA-N 2 0 335.536 3.118 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481536799 1394395827 /nfs/dbraw/zinc/39/58/27/1394395827.db2.gz NBGZUJGUDJCCIU-GLCUZYPYSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491152856 1394452136 /nfs/dbraw/zinc/45/21/36/1394452136.db2.gz SORYGEMHSPLCEH-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491153919 1394452767 /nfs/dbraw/zinc/45/27/67/1394452767.db2.gz ZGXYANGZGMHYGM-IEVDXQOXSA-N 2 0 349.563 3.291 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001491185003 1394462351 /nfs/dbraw/zinc/46/23/51/1394462351.db2.gz OHPJMQJWMFMCDI-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001491222270 1394480275 /nfs/dbraw/zinc/48/02/75/1394480275.db2.gz JSMWYVAQMZGSTC-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481735357 1394483586 /nfs/dbraw/zinc/48/35/86/1394483586.db2.gz LMFKNZOWEDRQNC-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001491251330 1394491396 /nfs/dbraw/zinc/49/13/96/1394491396.db2.gz MGKKDSARXYJABJ-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001481751899 1394496092 /nfs/dbraw/zinc/49/60/92/1394496092.db2.gz RJYQXCSWFNICDA-HXUWFJFHSA-N 2 0 347.547 3.286 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481768850 1394511581 /nfs/dbraw/zinc/51/15/81/1394511581.db2.gz SPTBOFGKLKOFSE-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C)C[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001481910409 1394591811 /nfs/dbraw/zinc/59/18/11/1394591811.db2.gz MFUMTIJKUYHQEX-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001481964605 1394626508 /nfs/dbraw/zinc/62/65/08/1394626508.db2.gz SNMBANVGGIHBMR-RXVVDRJESA-N 2 0 349.563 3.317 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481979321 1394640564 /nfs/dbraw/zinc/64/05/64/1394640564.db2.gz NOEPZQMTEXYZIE-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]([NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001482003580 1394662732 /nfs/dbraw/zinc/66/27/32/1394662732.db2.gz IDQXKXUIDKMRRI-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001482007804 1394667593 /nfs/dbraw/zinc/66/75/93/1394667593.db2.gz FPJDHKNAMQWMPA-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2ccccc2)CC1 ZINC001482027690 1394686629 /nfs/dbraw/zinc/68/66/29/1394686629.db2.gz LPLADSRYSPTTIM-WDSOQIARSA-N 2 0 331.504 3.105 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001482043069 1394704617 /nfs/dbraw/zinc/70/46/17/1394704617.db2.gz HAEFJDRICATIBX-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001482219696 1394812933 /nfs/dbraw/zinc/81/29/33/1394812933.db2.gz NJEVWHAUNDEBTK-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482390826 1394951307 /nfs/dbraw/zinc/95/13/07/1394951307.db2.gz IGNMMFYNONDHPQ-AZUAARDMSA-N 2 0 349.563 3.314 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482406705 1394970298 /nfs/dbraw/zinc/97/02/98/1394970298.db2.gz SZDFZZIGGCUKML-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001482455671 1395014738 /nfs/dbraw/zinc/01/47/38/1395014738.db2.gz ILOZRJRBAPSKJL-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482463904 1395020984 /nfs/dbraw/zinc/02/09/84/1395020984.db2.gz XAWDDPFMKGVOQZ-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001482500753 1395053793 /nfs/dbraw/zinc/05/37/93/1395053793.db2.gz JODDMKUHJZXVNZ-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001482540975 1395079477 /nfs/dbraw/zinc/07/94/77/1395079477.db2.gz XCWDAURSGDWSMQ-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001483846934 1395113482 /nfs/dbraw/zinc/11/34/82/1395113482.db2.gz DRKNZLQKYXHXRM-AZUAARDMSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCCC2CCCC2)CCC1 ZINC001483933185 1395150726 /nfs/dbraw/zinc/15/07/26/1395150726.db2.gz FPOGIJBGMXOUHX-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057941 1395220800 /nfs/dbraw/zinc/22/08/00/1395220800.db2.gz MWURTMWGMTUIGB-TZIWHRDSSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001484161681 1395295587 /nfs/dbraw/zinc/29/55/87/1395295587.db2.gz SXWUHPUXBQPDDS-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484520269 1395414788 /nfs/dbraw/zinc/41/47/88/1395414788.db2.gz FLLAUAOMBRIMHZ-VOFKWLDRSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001484721657 1395484148 /nfs/dbraw/zinc/48/41/48/1395484148.db2.gz AYNAMIVXWLPZQS-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001484721590 1395484916 /nfs/dbraw/zinc/48/49/16/1395484916.db2.gz KQIZXCYCMQJVLW-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001484728634 1395491882 /nfs/dbraw/zinc/49/18/82/1395491882.db2.gz SSHAOVLBVYOHHS-HXUWFJFHSA-N 2 0 347.547 3.334 10 0 EGAERP CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001484825903 1395561559 /nfs/dbraw/zinc/56/15/59/1395561559.db2.gz XRYSSKDXGNWSBT-WOJBJXKFSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1ccccc1C[NH2+]C1(C)CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001484927187 1395594594 /nfs/dbraw/zinc/59/45/94/1395594594.db2.gz OEPPELBCJFJHMF-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001484938055 1395596909 /nfs/dbraw/zinc/59/69/09/1395596909.db2.gz UIQMUHFSWOGDOI-HKUYNNGSSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001485082152 1395652285 /nfs/dbraw/zinc/65/22/85/1395652285.db2.gz MLXGTZPQNHOEIZ-HEVSSNLLSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179720 1395688841 /nfs/dbraw/zinc/68/88/41/1395688841.db2.gz JANXRDBUDCWCBV-ROUUACIJSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001485229232 1395722991 /nfs/dbraw/zinc/72/29/91/1395722991.db2.gz HQGLMVDFHAZKOZ-IRXDYDNUSA-N 2 0 333.520 3.133 10 0 EGAERP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001485260547 1395746939 /nfs/dbraw/zinc/74/69/39/1395746939.db2.gz RWFMSVCXARZRRK-IRXDYDNUSA-N 2 0 343.531 3.072 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001485310043 1395787830 /nfs/dbraw/zinc/78/78/30/1395787830.db2.gz OHHNAGHBCGRYIK-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001485378376 1395859741 /nfs/dbraw/zinc/85/97/41/1395859741.db2.gz VMHSFMGNZOBHQR-VQIMIIECSA-N 2 0 333.520 3.087 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001485456961 1395927920 /nfs/dbraw/zinc/92/79/20/1395927920.db2.gz FDFMQXGTTMGQTI-RTBURBONSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001698996051 1406793792 /nfs/dbraw/zinc/79/37/92/1406793792.db2.gz PIKQHXLEWCVOLW-OTWHNJEPSA-N 2 0 345.531 3.177 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001485483442 1395969760 /nfs/dbraw/zinc/96/97/60/1395969760.db2.gz WFZKYOFGHZDLKS-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001485570918 1396036522 /nfs/dbraw/zinc/03/65/22/1396036522.db2.gz VGUYCUNULQSOJE-YHROWNBBSA-N 2 0 349.563 3.290 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001485585072 1396060961 /nfs/dbraw/zinc/06/09/61/1396060961.db2.gz JZSJTLXUKVDFDT-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1C[C@]2(C)C[N@H+](CC)C[C@]2(C)C1 ZINC001485669615 1396098144 /nfs/dbraw/zinc/09/81/44/1396098144.db2.gz ZLYZXASFYPWQRR-BGYRXZFFSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485736771 1396123512 /nfs/dbraw/zinc/12/35/12/1396123512.db2.gz QACMNWYLSNLIEN-QFBILLFUSA-N 2 0 335.536 3.068 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001485763725 1396139552 /nfs/dbraw/zinc/13/95/52/1396139552.db2.gz FCLXNUSAALDPJG-VQTJNVASSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001485960298 1396173983 /nfs/dbraw/zinc/17/39/83/1396173983.db2.gz CZZMQSLONYEFGB-QGZVFWFLSA-N 2 0 341.499 3.117 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001486089218 1396176447 /nfs/dbraw/zinc/17/64/47/1396176447.db2.gz OXCJBTHGHTZZMX-XLIONFOSSA-N 2 0 345.531 3.174 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486235238 1396185953 /nfs/dbraw/zinc/18/59/53/1396185953.db2.gz UXNMNKUSFYMKHA-LSSLULSBSA-N 2 0 337.552 3.146 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486238210 1396186805 /nfs/dbraw/zinc/18/68/05/1396186805.db2.gz NGSPQTHSVRWSBB-ZPUOCTKUSA-N 2 0 335.536 3.044 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC2(C)C)C1 ZINC001486250407 1396189772 /nfs/dbraw/zinc/18/97/72/1396189772.db2.gz QOWKVUUIVGVAKV-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+](Cc1ccc(C)cc1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001505398345 1396285945 /nfs/dbraw/zinc/28/59/45/1396285945.db2.gz FKJAABODEPCRDB-UHFFFAOYSA-N 2 0 345.531 3.007 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001492176205 1396312520 /nfs/dbraw/zinc/31/25/20/1396312520.db2.gz TXSFHOWHNRTRAN-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1cc(C)ccc1C ZINC001492966131 1396330079 /nfs/dbraw/zinc/33/00/79/1396330079.db2.gz QSICRMHYMXDTKS-GOSISDBHSA-N 2 0 345.531 3.287 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001493140075 1396338240 /nfs/dbraw/zinc/33/82/40/1396338240.db2.gz NFFKEAJOUYTCPA-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@H]1CCc2ccccc21 ZINC001493297332 1396339272 /nfs/dbraw/zinc/33/92/72/1396339272.db2.gz RTVDRRPVFISXAX-PMACEKPBSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494134295 1396377257 /nfs/dbraw/zinc/37/72/57/1396377257.db2.gz YDRKSAFKLFSQAY-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001495947086 1396573694 /nfs/dbraw/zinc/57/36/94/1396573694.db2.gz DCTUDSYZLLGVLW-MSOLQXFVSA-N 2 0 335.536 3.212 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001496078438 1396596171 /nfs/dbraw/zinc/59/61/71/1396596171.db2.gz DVVLIZSWOGWSAX-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001496083058 1396598144 /nfs/dbraw/zinc/59/81/44/1396598144.db2.gz UHUSGAIWUUGDHR-HGFKVBKKSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496400164 1396688675 /nfs/dbraw/zinc/68/86/75/1396688675.db2.gz CXRPFWXCJJPOFM-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001496490825 1396708989 /nfs/dbraw/zinc/70/89/89/1396708989.db2.gz JCDQQZFLBUEQFG-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001496730505 1396725124 /nfs/dbraw/zinc/72/51/24/1396725124.db2.gz UTZFPRFGYSGECZ-AZUAARDMSA-N 2 0 345.531 3.239 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCCC1CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497615028 1396773694 /nfs/dbraw/zinc/77/36/94/1396773694.db2.gz ZBGNEFOAUGMLGE-UNQUKWGNSA-N 2 0 347.547 3.236 10 0 EGAERP CC[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001497726863 1396803193 /nfs/dbraw/zinc/80/31/93/1396803193.db2.gz JWUBLSKTCKVXKM-SGQUHAKNSA-N 2 0 345.531 3.086 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1)[NH+]1CCCC1 ZINC001497762611 1396831784 /nfs/dbraw/zinc/83/17/84/1396831784.db2.gz JJVIXVKTCBNBNQ-PSTGNYPNSA-N 2 0 349.563 3.195 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001689267313 1396998252 /nfs/dbraw/zinc/99/82/52/1396998252.db2.gz HYZMFIWILUIIGP-HMECNJMJSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001689271088 1397005168 /nfs/dbraw/zinc/00/51/68/1397005168.db2.gz BWROZOIPVFROST-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001689352597 1403682193 /nfs/dbraw/zinc/68/21/93/1403682193.db2.gz JTJXSYGDCSFFAT-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689909217 1404201814 /nfs/dbraw/zinc/20/18/14/1404201814.db2.gz MHJJVVFBAULIEB-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001689964884 1404230381 /nfs/dbraw/zinc/23/03/81/1404230381.db2.gz AGVOLVJSSXOJAG-DLBZAZTESA-N 2 0 349.494 3.057 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001690027339 1404265606 /nfs/dbraw/zinc/26/56/06/1404265606.db2.gz IREDNVOFDVLHGE-HJWRWDBZSA-N 2 0 337.552 3.243 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001690390772 1404528456 /nfs/dbraw/zinc/52/84/56/1404528456.db2.gz UMUMKQDIAMOXCE-IBGZPJMESA-N 2 0 345.531 3.380 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](CC3CCCCCC3)C2)C1 ZINC001690392362 1404533696 /nfs/dbraw/zinc/53/36/96/1404533696.db2.gz VVHAYAZCIPDFHN-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001690405984 1404542345 /nfs/dbraw/zinc/54/23/45/1404542345.db2.gz TXHFUBPNCNSZQE-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001690435340 1404558339 /nfs/dbraw/zinc/55/83/39/1404558339.db2.gz AGWRWPLNANIMFL-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001690436738 1404559096 /nfs/dbraw/zinc/55/90/96/1404559096.db2.gz PGHJCCZIKDXBTA-XOUUWWQPSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCC1=CCCCC1)C1CCC1 ZINC001690448151 1404571473 /nfs/dbraw/zinc/57/14/73/1404571473.db2.gz FKZBJVRVLNSWJY-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001690459350 1404590061 /nfs/dbraw/zinc/59/00/61/1404590061.db2.gz NTVRCPRNSNAEKH-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001690490791 1404604527 /nfs/dbraw/zinc/60/45/27/1404604527.db2.gz FDJIBRLVQJEPDR-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CCC([NH2+]CC2CCC2)CC1 ZINC001690536065 1404625227 /nfs/dbraw/zinc/62/52/27/1404625227.db2.gz VIWBSHLEHQOFQU-UHFFFAOYSA-N 2 0 349.563 3.457 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690628384 1404663198 /nfs/dbraw/zinc/66/31/98/1404663198.db2.gz LUOOJAQCFPSLLY-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001690879365 1404792749 /nfs/dbraw/zinc/79/27/49/1404792749.db2.gz GIJUGUQFOPUJFO-QGZVFWFLSA-N 2 0 345.531 3.064 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001690907140 1404817275 /nfs/dbraw/zinc/81/72/75/1404817275.db2.gz HNVAKMCBSQBHLW-FHWLQOOXSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCC2=CCCCC2)C1 ZINC001690918072 1404828545 /nfs/dbraw/zinc/82/85/45/1404828545.db2.gz SZHVUONWJNZQKC-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+](CC)CC ZINC001691097447 1405034814 /nfs/dbraw/zinc/03/48/14/1405034814.db2.gz LUJRSJBNKUJAJK-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001691151510 1405085466 /nfs/dbraw/zinc/08/54/66/1405085466.db2.gz NFYLJKZXTSRFKA-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001691411020 1405250065 /nfs/dbraw/zinc/25/00/65/1405250065.db2.gz XXSFZTOITRRSNX-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508205 1405310355 /nfs/dbraw/zinc/31/03/55/1405310355.db2.gz HCXIVQJWDKRCFS-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691620532 1405361474 /nfs/dbraw/zinc/36/14/74/1405361474.db2.gz GYDUIIMZZZMUEF-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001691664959 1405396914 /nfs/dbraw/zinc/39/69/14/1405396914.db2.gz NDHWJKYTONCISW-GBESFXJTSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001691801101 1405515081 /nfs/dbraw/zinc/51/50/81/1405515081.db2.gz OPFCWNNLFUMPPZ-LJQANCHMSA-N 2 0 345.531 3.356 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccccc1C(C)C ZINC001731304143 1427246382 /nfs/dbraw/zinc/24/63/82/1427246382.db2.gz CEYHZNNMBUFWAS-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP O=C(NCC[C@@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001691893715 1405617422 /nfs/dbraw/zinc/61/74/22/1405617422.db2.gz UIEYFRWCKNGTFI-QUCCMNQESA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001691900051 1405622472 /nfs/dbraw/zinc/62/24/72/1405622472.db2.gz CPIDDFBCPGZVLB-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCC[NH+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691919915 1405649052 /nfs/dbraw/zinc/64/90/52/1405649052.db2.gz RJXPFFXTSHLJKK-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001691955390 1405673667 /nfs/dbraw/zinc/67/36/67/1405673667.db2.gz SEGKXHLFIIFBNF-SXLOBPIMSA-N 2 0 345.531 3.352 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001691989751 1405703849 /nfs/dbraw/zinc/70/38/49/1405703849.db2.gz MZHIXEJLZNPQEL-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692129423 1405787739 /nfs/dbraw/zinc/78/77/39/1405787739.db2.gz UEJWAMOEZAFPLV-WWAPKCSDSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001692139284 1405794339 /nfs/dbraw/zinc/79/43/39/1405794339.db2.gz GTXVRSCEEOMOLE-NEWSRXKRSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001692139283 1405794656 /nfs/dbraw/zinc/79/46/56/1405794656.db2.gz GTXVRSCEEOMOLE-BHIYHBOVSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCC(=O)NCC1C[NH+](CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001692321053 1405939706 /nfs/dbraw/zinc/93/97/06/1405939706.db2.gz UJSPXPSFTHFXFW-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001692322028 1405940384 /nfs/dbraw/zinc/94/03/84/1405940384.db2.gz JCHUXNCFRVHRDW-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001698562253 1406162812 /nfs/dbraw/zinc/16/28/12/1406162812.db2.gz ITMLAUUEOAAWFS-AEFFLSMTSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001698562254 1406162918 /nfs/dbraw/zinc/16/29/18/1406162918.db2.gz ITMLAUUEOAAWFS-FUHWJXTLSA-N 2 0 337.552 3.218 10 0 EGAERP CCc1cccc(C[N@H+]2CC[C@@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C2)c1 ZINC001698588682 1406208428 /nfs/dbraw/zinc/20/84/28/1406208428.db2.gz RXYHHJQLNPHPQO-WOJBJXKFSA-N 2 0 345.531 3.012 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001732076500 1428328201 /nfs/dbraw/zinc/32/82/01/1428328201.db2.gz OZSAKLLYMRDGHY-FHWLQOOXSA-N 2 0 337.552 3.220 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001732189098 1428440063 /nfs/dbraw/zinc/44/00/63/1428440063.db2.gz FOHYYZJNRGKVDB-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CC1CC(C)(C)C1 ZINC001732207066 1428456729 /nfs/dbraw/zinc/45/67/29/1428456729.db2.gz PRQUDLBNVJQEFN-MRXNPFEDSA-N 2 0 342.487 3.177 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221874 1428470329 /nfs/dbraw/zinc/47/03/29/1428470329.db2.gz HHXKRIPGIKFXLY-ICSRJNTNSA-N 2 0 345.531 3.244 10 0 EGAERP C[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C1CC1)CC(C)(C)C ZINC001732247053 1428490583 /nfs/dbraw/zinc/49/05/83/1428490583.db2.gz IMCMOJTZBMJDOZ-HXUWFJFHSA-N 2 0 339.568 3.275 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CC(C)(C)C2)C2CC2)CC[N@@H+]1C ZINC001732248363 1428491199 /nfs/dbraw/zinc/49/11/99/1428491199.db2.gz IYXQZYFMWHAPIU-WJPUGNRLSA-N 2 0 349.563 3.027 10 0 EGAERP CCC[NH2+]C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC[C@@H]1C ZINC001732258594 1428499259 /nfs/dbraw/zinc/49/92/59/1428499259.db2.gz OSLATKFGGLPPKO-MGPUTAFESA-N 2 0 342.487 3.321 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001732310478 1428523742 /nfs/dbraw/zinc/52/37/42/1428523742.db2.gz LTSLRUKLUKSMGH-IXRDLDOWSA-N 2 0 347.547 3.377 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001732312228 1428524852 /nfs/dbraw/zinc/52/48/52/1428524852.db2.gz SOGTWYCFNOXLQD-MKXGPGLRSA-N 2 0 335.536 3.066 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3=CCCCC3)C2)CC1 ZINC001732332054 1428538267 /nfs/dbraw/zinc/53/82/67/1428538267.db2.gz XVPPRVKJHKTVFT-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCC(C)(C)C ZINC001732346523 1428543057 /nfs/dbraw/zinc/54/30/57/1428543057.db2.gz WGSLTEVNBXCCHK-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732418780 1428573565 /nfs/dbraw/zinc/57/35/65/1428573565.db2.gz IWLKWFXJSJAIGR-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C ZINC001732439218 1428581382 /nfs/dbraw/zinc/58/13/82/1428581382.db2.gz YLQQRRJLBMAMIR-QGZVFWFLSA-N 2 0 341.499 3.036 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001732470438 1428599079 /nfs/dbraw/zinc/59/90/79/1428599079.db2.gz CQEUIKFNPXAEFG-OALUTQOASA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068367 1412493804 /nfs/dbraw/zinc/49/38/04/1412493804.db2.gz XPNLAZSTRMVUDS-RBUKOAKNSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C ZINC001699131290 1412525443 /nfs/dbraw/zinc/52/54/43/1412525443.db2.gz LGRMXSHTAIYWNY-QGZVFWFLSA-N 2 0 341.499 3.084 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001699158918 1412543409 /nfs/dbraw/zinc/54/34/09/1412543409.db2.gz JUSFOWXEOLBXRG-LJQANCHMSA-N 2 0 345.531 3.164 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001699188365 1412561206 /nfs/dbraw/zinc/56/12/06/1412561206.db2.gz JIFLHQTYUUYPAH-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP CCN(CC[NH2+]CCCC(C)C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001699189953 1412562398 /nfs/dbraw/zinc/56/23/98/1412562398.db2.gz MQPZMPSHVCBGKT-UHFFFAOYSA-N 2 0 330.476 3.131 10 0 EGAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001699324304 1412639553 /nfs/dbraw/zinc/63/95/53/1412639553.db2.gz LDTPHNRSSXCPKE-LOKQZNEXSA-N 2 0 349.563 3.197 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001699359094 1412666122 /nfs/dbraw/zinc/66/61/22/1412666122.db2.gz SSURGJRELUIRKB-YLJYHZDGSA-N 2 0 345.531 3.277 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699387717 1412700854 /nfs/dbraw/zinc/70/08/54/1412700854.db2.gz FNYZEOLJHULUBK-SJORKVTESA-N 2 0 347.547 3.480 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443029 1412774107 /nfs/dbraw/zinc/77/41/07/1412774107.db2.gz SQWUCKVVKUBOAS-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001699444405 1412776710 /nfs/dbraw/zinc/77/67/10/1412776710.db2.gz CYIYFHUJVFYYQP-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCC1 ZINC001699463405 1412823317 /nfs/dbraw/zinc/82/33/17/1412823317.db2.gz HGAHQIRAAPGCDP-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575699 1412932123 /nfs/dbraw/zinc/93/21/23/1412932123.db2.gz IBRVURQKJYTRNW-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001699604091 1412966922 /nfs/dbraw/zinc/96/69/22/1412966922.db2.gz CYLUYAXYOVXHDP-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCC(=O)NC[C@H]1CC[NH+]1CC1CCCC1)C1CCCCC1 ZINC001699624875 1412990510 /nfs/dbraw/zinc/99/05/10/1412990510.db2.gz JILRLIUTLOQRIY-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001699629910 1413000248 /nfs/dbraw/zinc/00/02/48/1413000248.db2.gz XTBPSDGCBGKJOK-MRXNPFEDSA-N 2 0 328.460 3.027 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001699679517 1413074082 /nfs/dbraw/zinc/07/40/82/1413074082.db2.gz DWUORULVQFONOI-IPQPSQTFSA-N 2 0 335.536 3.163 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001699703672 1413118878 /nfs/dbraw/zinc/11/88/78/1413118878.db2.gz MCPZRUMPLOERPL-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001699739962 1413150976 /nfs/dbraw/zinc/15/09/76/1413150976.db2.gz XACFYOLGCSHHHL-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001699741981 1413152624 /nfs/dbraw/zinc/15/26/24/1413152624.db2.gz DOPMTYNQZCHAAT-QFBILLFUSA-N 2 0 331.504 3.131 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699771257 1413177840 /nfs/dbraw/zinc/17/78/40/1413177840.db2.gz UNFMXVDRBPJTJO-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001699798643 1413208790 /nfs/dbraw/zinc/20/87/90/1413208790.db2.gz IYTQTHIWCRTESH-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699825557 1413250913 /nfs/dbraw/zinc/25/09/13/1413250913.db2.gz NSUOHYQVPZUHCW-XJDXJNMNSA-N 2 0 335.536 3.189 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001699845193 1413274119 /nfs/dbraw/zinc/27/41/19/1413274119.db2.gz ALIBOKVHDLILHA-AQIYZVDXSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001699854248 1413284623 /nfs/dbraw/zinc/28/46/23/1413284623.db2.gz SANPMLHETWMOIK-FQEVSTJZSA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001699861432 1413295534 /nfs/dbraw/zinc/29/55/34/1413295534.db2.gz IJRWBZLLAUTTEK-BLGFXRMMSA-N 2 0 337.552 3.147 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001699862315 1413297147 /nfs/dbraw/zinc/29/71/47/1413297147.db2.gz WLIXMVPHMXVMKN-IBGZPJMESA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001732545155 1428720174 /nfs/dbraw/zinc/72/01/74/1428720174.db2.gz SPNYREYDQGUIKR-RJOJHWARSA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001699937889 1413381438 /nfs/dbraw/zinc/38/14/38/1413381438.db2.gz BELAYEAPBYKKIZ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001699967616 1413407226 /nfs/dbraw/zinc/40/72/26/1413407226.db2.gz APVGPXFZLSOUNF-ICSRJNTNSA-N 2 0 347.547 3.047 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699978713 1413423288 /nfs/dbraw/zinc/42/32/88/1413423288.db2.gz HXTFBJWHEHPYGX-UAFMIMERSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C[NH2+]CC1CCC1 ZINC001732546982 1428723729 /nfs/dbraw/zinc/72/37/29/1428723729.db2.gz YWYSLCHKNSCFLZ-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001700065468 1413482085 /nfs/dbraw/zinc/48/20/85/1413482085.db2.gz JVGGXYQLRFPEKP-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700101521 1413519170 /nfs/dbraw/zinc/51/91/70/1413519170.db2.gz IDMQAQVQTRHJKL-UAFMIMERSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001700109842 1413529719 /nfs/dbraw/zinc/52/97/19/1413529719.db2.gz ZJGKVUNCSJEMIF-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001700178252 1413588079 /nfs/dbraw/zinc/58/80/79/1413588079.db2.gz INVAJHFNFWZNHS-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CCCC1)[NH+]1CCCCCC1 ZINC001700192865 1413624530 /nfs/dbraw/zinc/62/45/30/1413624530.db2.gz DVAUDCOUGOBIOT-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC2CCCCC2)CC[N@@H+]1C ZINC001700196394 1413637843 /nfs/dbraw/zinc/63/78/43/1413637843.db2.gz XWNKQEZZCKJORI-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700219866 1413665661 /nfs/dbraw/zinc/66/56/61/1413665661.db2.gz KVKWBRAFXUDEHF-HNGSOEQISA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700280451 1413725545 /nfs/dbraw/zinc/72/55/45/1413725545.db2.gz LNCZJNKHVXUGDY-UEKDZROGSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001700362962 1413880945 /nfs/dbraw/zinc/88/09/45/1413880945.db2.gz NKEAROQILZAILJ-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)c1 ZINC001700364997 1413886524 /nfs/dbraw/zinc/88/65/24/1413886524.db2.gz SZPCOVYRCWQWCN-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001700375257 1413902258 /nfs/dbraw/zinc/90/22/58/1413902258.db2.gz SXQOJUWBQJCLBJ-SOAGJPPSSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001700414782 1413958140 /nfs/dbraw/zinc/95/81/40/1413958140.db2.gz BVIMFCZDGAZLMN-DLBZAZTESA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)CC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001700435712 1414002605 /nfs/dbraw/zinc/00/26/05/1414002605.db2.gz UMCWFUNMBWHOLA-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001700512128 1414161792 /nfs/dbraw/zinc/16/17/92/1414161792.db2.gz CPVSWHDMANYTHM-QRVBRYPASA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700517668 1414170438 /nfs/dbraw/zinc/17/04/38/1414170438.db2.gz ODKBBDZBKFPSHV-UXHICEINSA-N 2 0 347.547 3.093 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700519085 1414173522 /nfs/dbraw/zinc/17/35/22/1414173522.db2.gz MEMSOWZWXDGTRA-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C2)C1 ZINC001700619178 1414287844 /nfs/dbraw/zinc/28/78/44/1414287844.db2.gz IFXOKUOURNNCEF-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001700665419 1414324153 /nfs/dbraw/zinc/32/41/53/1414324153.db2.gz OKGNVRZSIFWHJE-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CCCC1CCCC1)C1CC1 ZINC001700724869 1414386375 /nfs/dbraw/zinc/38/63/75/1414386375.db2.gz MUIMXMVUVZIMIP-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001700753168 1414423654 /nfs/dbraw/zinc/42/36/54/1414423654.db2.gz SWDHPZNIOYXPOX-ROUUACIJSA-N 2 0 345.531 3.285 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001700758374 1414431234 /nfs/dbraw/zinc/43/12/34/1414431234.db2.gz ABHJFQZIOMYQQX-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767756 1414444095 /nfs/dbraw/zinc/44/40/95/1414444095.db2.gz LBJVTRXIWTXHAS-APWZRJJASA-N 2 0 349.494 3.025 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@H]12 ZINC001700862086 1414511102 /nfs/dbraw/zinc/51/11/02/1414511102.db2.gz AEVZAMZNAINAKQ-SVFBPWRDSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001700875652 1414530005 /nfs/dbraw/zinc/53/00/05/1414530005.db2.gz SZPWYUWPFDVKIS-SLFFLAALSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C(C)(C)C ZINC001700983696 1414624202 /nfs/dbraw/zinc/62/42/02/1414624202.db2.gz JPGDKTUTFMSDEU-ROUUACIJSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001701013528 1414675349 /nfs/dbraw/zinc/67/53/49/1414675349.db2.gz OGEPBRABYXGCGK-ZEVQVBBLSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[NH+]1CCC(C2(NC(=O)CC[N@H+](C)C3CCCCC3)CC2)CC1 ZINC001701030059 1414692602 /nfs/dbraw/zinc/69/26/02/1414692602.db2.gz IOAGXXXVOOHHJD-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001701032996 1414697250 /nfs/dbraw/zinc/69/72/50/1414697250.db2.gz UTXVHUPNJNBPOG-IAGOWNOFSA-N 2 0 347.547 3.020 10 0 EGAERP C[N@H+](CC(=O)NCC1=CC[NH+](CCC2=CCCCC2)CC1)C1CCC1 ZINC001701051368 1414707744 /nfs/dbraw/zinc/70/77/44/1414707744.db2.gz XSSKJQQIQOUBSA-UHFFFAOYSA-N 2 0 345.531 3.110 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001732606683 1428862021 /nfs/dbraw/zinc/86/20/21/1428862021.db2.gz RJKHYMMFLIDJJN-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001732621934 1428884822 /nfs/dbraw/zinc/88/48/22/1428884822.db2.gz HNVMXOVAFKURKS-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001732850466 1429009188 /nfs/dbraw/zinc/00/91/88/1429009188.db2.gz JBKQSVABCANJIE-YZKSSJSGSA-N 2 0 343.515 3.191 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001732915387 1429045879 /nfs/dbraw/zinc/04/58/79/1429045879.db2.gz USOCUYFHQZDTRP-PHWHVTFISA-N 2 0 343.515 3.050 10 0 EGAERP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732953305 1429077387 /nfs/dbraw/zinc/07/73/87/1429077387.db2.gz BHTOYYUHRQHVDH-QGZVFWFLSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001707084851 1417191911 /nfs/dbraw/zinc/19/19/11/1417191911.db2.gz LPBBTPAOLMWBTN-CIYDVTBMSA-N 2 0 347.547 3.234 10 0 EGAERP CC[C@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2)[NH+](CC)CC ZINC001707123465 1417210349 /nfs/dbraw/zinc/21/03/49/1417210349.db2.gz DZHSHUYUHGWDKY-ZWKOTPCHSA-N 2 0 337.552 3.218 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCCC3CCC3)[C@H]2C1(C)C ZINC001707186254 1417235351 /nfs/dbraw/zinc/23/53/51/1417235351.db2.gz MYCWMXPXCRDZHU-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001707235336 1417256137 /nfs/dbraw/zinc/25/61/37/1417256137.db2.gz CRAMIIBTXBBKLM-KZNAEPCWSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001707267843 1417274887 /nfs/dbraw/zinc/27/48/87/1417274887.db2.gz FWEVZRAVDLSQJM-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC(C)C)CC(C)(C)C1)[NH+](CC)CC ZINC001707282435 1417293359 /nfs/dbraw/zinc/29/33/59/1417293359.db2.gz XLDVGXOMYQHMKV-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1CCCCCC1 ZINC001707422667 1417329328 /nfs/dbraw/zinc/32/93/28/1417329328.db2.gz NEOGRQSJCWMVQF-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450130 1417353955 /nfs/dbraw/zinc/35/39/55/1417353955.db2.gz ZGWXPSIMNMWBQL-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001712976124 1417529431 /nfs/dbraw/zinc/52/94/31/1417529431.db2.gz YWRIGLWRYQCUST-LJQANCHMSA-N 2 0 345.531 3.198 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCCC1 ZINC001712976612 1417530465 /nfs/dbraw/zinc/53/04/65/1417530465.db2.gz GHDJKKHDYDFPSH-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1cc(C)ccc1C ZINC001712991323 1417543335 /nfs/dbraw/zinc/54/33/35/1417543335.db2.gz PRLNYMPSRMUTJE-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CC(C)C1 ZINC001713012747 1417566530 /nfs/dbraw/zinc/56/65/30/1417566530.db2.gz WZDXBPHOIBLZMO-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1F ZINC001713019142 1417571671 /nfs/dbraw/zinc/57/16/71/1417571671.db2.gz FYFMJYXXYDNCDA-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CCCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713102130 1417656090 /nfs/dbraw/zinc/65/60/90/1417656090.db2.gz MYMGJOYMKNUCJT-HDICACEKSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001713108558 1417669540 /nfs/dbraw/zinc/66/95/40/1417669540.db2.gz MMEIROLVEPLXFD-ICSRJNTNSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713151757 1417732006 /nfs/dbraw/zinc/73/20/06/1417732006.db2.gz HKAFSIHFFUCZBI-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713196149 1417767617 /nfs/dbraw/zinc/76/76/17/1417767617.db2.gz NYCVUWIHBMFBEC-INDMIFKZSA-N 2 0 337.552 3.026 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001713215641 1417789954 /nfs/dbraw/zinc/78/99/54/1417789954.db2.gz PKFOFEVKGZXBDH-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001713220524 1417802842 /nfs/dbraw/zinc/80/28/42/1417802842.db2.gz MXQPTTZNLGIGAG-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCCC[NH+]1CC1CCC1 ZINC001713252521 1417845301 /nfs/dbraw/zinc/84/53/01/1417845301.db2.gz AXMCUIUMCVNSGQ-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C)[NH+](C)C ZINC001713253687 1417848891 /nfs/dbraw/zinc/84/88/91/1417848891.db2.gz SYLIUOAREGYVPQ-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001713256547 1417856751 /nfs/dbraw/zinc/85/67/51/1417856751.db2.gz JEQCOFXXGZVFQU-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001733063633 1429215208 /nfs/dbraw/zinc/21/52/08/1429215208.db2.gz XNIABJMGHPJUNL-QZTJIDSGSA-N 2 0 333.520 3.143 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713275291 1417893524 /nfs/dbraw/zinc/89/35/24/1417893524.db2.gz GVTVQSFOLCZYDZ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733064917 1429218141 /nfs/dbraw/zinc/21/81/41/1429218141.db2.gz DBESTUUYIRTNEE-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001713342276 1417964651 /nfs/dbraw/zinc/96/46/51/1417964651.db2.gz GDSDMEOCPSTERS-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001713343495 1417965416 /nfs/dbraw/zinc/96/54/16/1417965416.db2.gz VUMLIDZLAQBDSS-JFDDCEBESA-N 2 0 349.544 3.218 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001713392820 1418006386 /nfs/dbraw/zinc/00/63/86/1418006386.db2.gz TVGPBYZJQNIOIO-OALUTQOASA-N 2 0 337.552 3.362 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001733105382 1429244144 /nfs/dbraw/zinc/24/41/44/1429244144.db2.gz WNIRWNUAWJYOJA-DLBZAZTESA-N 2 0 349.494 3.199 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCC(C)(C)C ZINC001713546609 1418317747 /nfs/dbraw/zinc/31/77/47/1418317747.db2.gz RRACNYFBINUJSY-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC1=CCCCC1 ZINC001713549189 1418325552 /nfs/dbraw/zinc/32/55/52/1418325552.db2.gz JIXUKGCYAXZYON-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CN(CC[NH2+]Cc1ccc(C2CCCCC2)cc1)C(=O)CC[NH+](C)C ZINC001713630133 1418401031 /nfs/dbraw/zinc/40/10/31/1418401031.db2.gz DPNXVZGXYSNZTO-UHFFFAOYSA-N 2 0 345.531 3.234 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733130846 1429255299 /nfs/dbraw/zinc/25/52/99/1429255299.db2.gz KZMKOMVOOXZFKT-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001713703765 1418462636 /nfs/dbraw/zinc/46/26/36/1418462636.db2.gz LGUAJHPPLIOIOT-WOJBJXKFSA-N 2 0 345.531 3.352 10 0 EGAERP CC1(C)CC(C[N@@H+]2CC[C@H](CCNC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001713740866 1418543250 /nfs/dbraw/zinc/54/32/50/1418543250.db2.gz CAYSATCNFYKAGV-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001713750733 1418552039 /nfs/dbraw/zinc/55/20/39/1418552039.db2.gz FRSJVOXVFJGLAH-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](CC(=O)N1CC[C@H](C[N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001713751415 1418553029 /nfs/dbraw/zinc/55/30/29/1418553029.db2.gz USQYSRIZNDGENF-LJQANCHMSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792447 1418610537 /nfs/dbraw/zinc/61/05/37/1418610537.db2.gz UENRHNCUKVTCMU-CQQBRXBZSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001713794108 1418613761 /nfs/dbraw/zinc/61/37/61/1418613761.db2.gz AQEINSJJQDPVFO-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001714007345 1418786422 /nfs/dbraw/zinc/78/64/22/1418786422.db2.gz JVMICGKOMFAVCO-WSTZPKSXSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714021701 1418804861 /nfs/dbraw/zinc/80/48/61/1418804861.db2.gz OLSWMLSKJMRTBQ-IRXDYDNUSA-N 2 0 349.494 3.151 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714070600 1418866365 /nfs/dbraw/zinc/86/63/65/1418866365.db2.gz LOJZUAIVYLSLAL-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714085357 1418879276 /nfs/dbraw/zinc/87/92/76/1418879276.db2.gz UZFONGHZYAOKFW-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001714135008 1418937818 /nfs/dbraw/zinc/93/78/18/1418937818.db2.gz RQRUPXVOIAYLMY-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714142636 1418944892 /nfs/dbraw/zinc/94/48/92/1418944892.db2.gz XGLOMXOJIYPKFA-PMACEKPBSA-N 2 0 343.515 3.204 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714149029 1418954942 /nfs/dbraw/zinc/95/49/42/1418954942.db2.gz BPSLPCCFNCYDCW-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCC3CCCCCC3)CCCC2)C1 ZINC001714152083 1418959183 /nfs/dbraw/zinc/95/91/83/1418959183.db2.gz YCWAFQXEUKAOLU-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001714173407 1418981314 /nfs/dbraw/zinc/98/13/14/1418981314.db2.gz ASCSVXUXBSRHNO-JXFKEZNVSA-N 2 0 337.552 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001714183096 1418990863 /nfs/dbraw/zinc/99/08/63/1418990863.db2.gz YMWMINKLELNWFK-CTWPCTMYSA-N 2 0 335.536 3.068 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001714190596 1418997171 /nfs/dbraw/zinc/99/71/71/1418997171.db2.gz CJMSBBLFTDFHHV-CTWPCTMYSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC(C)C)CC1 ZINC001714190172 1418997326 /nfs/dbraw/zinc/99/73/26/1418997326.db2.gz KUCLMBZBPGQARP-ACBHZAAOSA-N 2 0 337.552 3.314 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001714200047 1419004585 /nfs/dbraw/zinc/00/45/85/1419004585.db2.gz NAAUTEOUYPZGRQ-WZUFQYTHSA-N 2 0 341.927 3.022 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001714268368 1419049936 /nfs/dbraw/zinc/04/99/36/1419049936.db2.gz POTPJHVATBYLFM-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275321 1419055991 /nfs/dbraw/zinc/05/59/91/1419055991.db2.gz YQLSZTOZTFHPJP-BEFAXECRSA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1 ZINC001714317401 1419096245 /nfs/dbraw/zinc/09/62/45/1419096245.db2.gz ZMDWIZPUMDOGBI-WGSAOQKQSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714399576 1419143369 /nfs/dbraw/zinc/14/33/69/1419143369.db2.gz JGARMCSOWTZRCY-LPHOPBHVSA-N 2 0 345.531 3.020 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714408196 1419148777 /nfs/dbraw/zinc/14/87/77/1419148777.db2.gz PLFNWNQITPWHDI-ZWKOTPCHSA-N 2 0 337.552 3.458 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714439736 1419170879 /nfs/dbraw/zinc/17/08/79/1419170879.db2.gz YEIBVFSZVXJSOA-PMACEKPBSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001714510029 1419237753 /nfs/dbraw/zinc/23/77/53/1419237753.db2.gz FTUZQRDWLZOLRE-OALUTQOASA-N 2 0 349.563 3.317 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001714512759 1419239936 /nfs/dbraw/zinc/23/99/36/1419239936.db2.gz OMMKWYAZGWCMDL-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2=CCCCC2)CCC1 ZINC001714520857 1419246898 /nfs/dbraw/zinc/24/68/98/1419246898.db2.gz XIABGVFOCCZBBJ-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714622759 1419390838 /nfs/dbraw/zinc/39/08/38/1419390838.db2.gz MYPGBEQKMBNBES-OALUTQOASA-N 2 0 349.494 3.198 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001714637938 1419409648 /nfs/dbraw/zinc/40/96/48/1419409648.db2.gz ZQRNXQAGZUEEMT-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001733216024 1429331287 /nfs/dbraw/zinc/33/12/87/1429331287.db2.gz KCPMJFNHSZWFOC-DKFQHHCZSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)c1cc(C)ccc1C ZINC001714658689 1419441819 /nfs/dbraw/zinc/44/18/19/1419441819.db2.gz BPZSYIFWLNRHDA-IBGZPJMESA-N 2 0 345.531 3.288 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CCC2(CC2)CC1)C1CC1 ZINC001714670743 1419460900 /nfs/dbraw/zinc/46/09/00/1419460900.db2.gz SXQGMHDTJHEEFV-LJQANCHMSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001714798946 1419514111 /nfs/dbraw/zinc/51/41/11/1419514111.db2.gz ZLRQSQARGFNASW-UYAOXDASSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714807733 1419519686 /nfs/dbraw/zinc/51/96/86/1419519686.db2.gz WLMDIAICVUWOBT-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001714821839 1419532255 /nfs/dbraw/zinc/53/22/55/1419532255.db2.gz VHJCCKBWOGSIEV-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001715019937 1419751086 /nfs/dbraw/zinc/75/10/86/1419751086.db2.gz HUMJLEHKWYGWQP-WMZOPIPTSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001715022876 1419754395 /nfs/dbraw/zinc/75/43/95/1419754395.db2.gz DABMBFHWEIFSKO-LJQANCHMSA-N 2 0 345.531 3.127 10 0 EGAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001715044865 1419784931 /nfs/dbraw/zinc/78/49/31/1419784931.db2.gz NSQIHKLDIHMEGU-IBGZPJMESA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001715069762 1419805116 /nfs/dbraw/zinc/80/51/16/1419805116.db2.gz UXOKFBGABCKBFO-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)(C)C1CCC(C[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)CC1 ZINC001733232430 1429368402 /nfs/dbraw/zinc/36/84/02/1429368402.db2.gz BYAJJVWGYXGEBN-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CCCC(C)(C)C ZINC001715085159 1419824076 /nfs/dbraw/zinc/82/40/76/1419824076.db2.gz SMJWNMLFJQFXRC-SFHVURJKSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001715102101 1419842619 /nfs/dbraw/zinc/84/26/19/1419842619.db2.gz VTHKGJUXGUURCB-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001715177909 1419913216 /nfs/dbraw/zinc/91/32/16/1419913216.db2.gz JYIQZNUOIBEBLO-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715186772 1419919616 /nfs/dbraw/zinc/91/96/16/1419919616.db2.gz JZIORDHYDHBHBQ-GUKTUGNZSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001715190983 1419922955 /nfs/dbraw/zinc/92/29/55/1419922955.db2.gz XDSRALDCDSMFSM-CADBVGFASA-N 2 0 349.563 3.457 10 0 EGAERP C[C@@H](C(=O)NCc1ccc(C[NH2+]CCCF)cc1)[NH+]1CCCCCC1 ZINC001715197295 1419929016 /nfs/dbraw/zinc/92/90/16/1419929016.db2.gz QECSCYYKYDSNPQ-KRWDZBQOSA-N 2 0 349.494 3.017 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001715327074 1420034008 /nfs/dbraw/zinc/03/40/08/1420034008.db2.gz KEPVNWLEIXWWEY-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001715336367 1420040345 /nfs/dbraw/zinc/04/03/45/1420040345.db2.gz JHZFFFUVHZNIKN-QGZVFWFLSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715341085 1420043900 /nfs/dbraw/zinc/04/39/00/1420043900.db2.gz UYKPNALAVOJBOM-SJLPKXTDSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376641 1420072873 /nfs/dbraw/zinc/07/28/73/1420072873.db2.gz KLFOXLSGVKZAQP-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715382559 1420079709 /nfs/dbraw/zinc/07/97/09/1420079709.db2.gz LOMULHFMKHWNNZ-PMACEKPBSA-N 2 0 349.563 3.480 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001715410684 1420107025 /nfs/dbraw/zinc/10/70/25/1420107025.db2.gz IWRQLDPIKCVITE-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(NCC1([NH2+]CC2=CCCCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001733249199 1429396310 /nfs/dbraw/zinc/39/63/10/1429396310.db2.gz JSCBICZTWROXAE-LJQANCHMSA-N 2 0 345.531 3.132 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001715535638 1420230068 /nfs/dbraw/zinc/23/00/68/1420230068.db2.gz DIDBNDLQOFMEPN-UXHICEINSA-N 2 0 345.531 3.006 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)c1cc(C)ccc1C ZINC001715536293 1420231510 /nfs/dbraw/zinc/23/15/10/1420231510.db2.gz SLLJHJVNEQXXJA-SFHVURJKSA-N 2 0 333.520 3.096 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715739021 1420319710 /nfs/dbraw/zinc/31/97/10/1420319710.db2.gz OUVNBYYOXWIWPB-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)C[N@H+](C)C(C)C ZINC001715775581 1420339378 /nfs/dbraw/zinc/33/93/78/1420339378.db2.gz QOJXNSBMEBCUAA-UHFFFAOYSA-N 2 0 347.547 3.262 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001715779022 1420340384 /nfs/dbraw/zinc/34/03/84/1420340384.db2.gz XEMPECHNIXOVHL-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC1CCC(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001715814321 1420353189 /nfs/dbraw/zinc/35/31/89/1420353189.db2.gz DLEIBSRBVQXFCB-WAYWQWQTSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C/C[NH2+]CC1=CCCCC1 ZINC001715824205 1420358054 /nfs/dbraw/zinc/35/80/54/1420358054.db2.gz LHIUTSHQJMMJPI-VOTSOKGWSA-N 2 0 347.528 3.186 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001715854328 1420368658 /nfs/dbraw/zinc/36/86/58/1420368658.db2.gz ROEXLBCHIFQVPW-MWWKQMNYSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715976988 1420436911 /nfs/dbraw/zinc/43/69/11/1420436911.db2.gz PNTIIKFNVGAEQN-WMZOPIPTSA-N 2 0 349.563 3.172 10 0 EGAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CCC[NH+]1CCCCC1 ZINC001716014511 1420467770 /nfs/dbraw/zinc/46/77/70/1420467770.db2.gz RXSYATSEGOUOHG-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001716029130 1420487115 /nfs/dbraw/zinc/48/71/15/1420487115.db2.gz DWDLMIFAEAXCMV-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716041957 1420503909 /nfs/dbraw/zinc/50/39/09/1420503909.db2.gz NZOPFLBXCYFECG-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001716051762 1420515870 /nfs/dbraw/zinc/51/58/70/1420515870.db2.gz RGHNHDFGAVNMRP-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001716076480 1420530411 /nfs/dbraw/zinc/53/04/11/1420530411.db2.gz ZJKFWRLKQSSQIM-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001716454783 1420669713 /nfs/dbraw/zinc/66/97/13/1420669713.db2.gz KFMHPCVMYJBNRI-FXAWDEMLSA-N 2 0 345.531 3.106 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001716492851 1420714564 /nfs/dbraw/zinc/71/45/64/1420714564.db2.gz XITXIXSWDOJDMR-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001716492839 1420714717 /nfs/dbraw/zinc/71/47/17/1420714717.db2.gz XFWIWDPBDLMTJK-LPHOPBHVSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001733269580 1429430385 /nfs/dbraw/zinc/43/03/85/1429430385.db2.gz PVEHUBQROZEWBC-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001716546880 1420756996 /nfs/dbraw/zinc/75/69/96/1420756996.db2.gz AMEKMXAKKCGCBU-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(F)cc1 ZINC001716566925 1420762945 /nfs/dbraw/zinc/76/29/45/1420762945.db2.gz BZAAHXHMLKYSGK-QFBILLFUSA-N 2 0 349.494 3.057 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001716578694 1420766370 /nfs/dbraw/zinc/76/63/70/1420766370.db2.gz BOIFWYYFEAWGFK-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001716631350 1420790484 /nfs/dbraw/zinc/79/04/84/1420790484.db2.gz KFBQUOJDCYESJS-WOJBJXKFSA-N 2 0 347.547 3.236 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]Cc1ccccc1C ZINC001716642395 1420797963 /nfs/dbraw/zinc/79/79/63/1420797963.db2.gz LHNVPKBVAGWODT-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716657718 1420811292 /nfs/dbraw/zinc/81/12/92/1420811292.db2.gz RDYRAYHTFULKRF-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001716701936 1420854718 /nfs/dbraw/zinc/85/47/18/1420854718.db2.gz HLIQJBRKSBJLCV-IBGZPJMESA-N 2 0 347.547 3.236 10 0 EGAERP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001716708533 1420862404 /nfs/dbraw/zinc/86/24/04/1420862404.db2.gz JFXXLNWSQYTZAZ-TZONTBHPSA-N 2 0 335.536 3.185 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001716797476 1420930568 /nfs/dbraw/zinc/93/05/68/1420930568.db2.gz XMVUIXSBGMFZLO-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC(C)C)C2)C1 ZINC001716848052 1420975987 /nfs/dbraw/zinc/97/59/87/1420975987.db2.gz WKOXEQLGFYBWQP-UYAOXDASSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001716967393 1421055785 /nfs/dbraw/zinc/05/57/85/1421055785.db2.gz SCCOTJBFILZQCS-WBVHZDCISA-N 2 0 340.471 3.049 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001717036789 1421090593 /nfs/dbraw/zinc/09/05/93/1421090593.db2.gz WLIHFKTVLAAFAC-OXUXSNCKSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001717129141 1421130223 /nfs/dbraw/zinc/13/02/23/1421130223.db2.gz ZZBRXJBSKBFRQL-KRWDZBQOSA-N 2 0 346.519 3.093 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001733286672 1429460574 /nfs/dbraw/zinc/46/05/74/1429460574.db2.gz BNZKDDQAVDUWHS-LYSGITKLSA-N 2 0 349.563 3.389 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001717209202 1421181491 /nfs/dbraw/zinc/18/14/91/1421181491.db2.gz RNHYNTCQGOZOSU-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC001717215224 1421192635 /nfs/dbraw/zinc/19/26/35/1421192635.db2.gz CCCIIEXIZPMUKN-FQEVSTJZSA-N 2 0 345.531 3.087 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717313089 1421258472 /nfs/dbraw/zinc/25/84/72/1421258472.db2.gz KMRFKZPEOBEZHI-UEKDZROGSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC2CC(NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001717384806 1421325810 /nfs/dbraw/zinc/32/58/10/1421325810.db2.gz MMJRDQPKOLLLKU-MUYFXNHWSA-N 2 0 343.515 3.025 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]CC1CCCC1 ZINC001717410757 1421342519 /nfs/dbraw/zinc/34/25/19/1421342519.db2.gz XJAKTIKMIRESTD-UONOGXRCSA-N 2 0 337.533 3.096 10 0 EGAERP CN(C(=O)CCC[NH+](C)C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001717447535 1421377081 /nfs/dbraw/zinc/37/70/81/1421377081.db2.gz SJFXWSLHIYIOND-UHFFFAOYSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001717449311 1421379134 /nfs/dbraw/zinc/37/91/34/1421379134.db2.gz CYVZHMXJHGKWLX-AATRIKPKSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001717474547 1421407610 /nfs/dbraw/zinc/40/76/10/1421407610.db2.gz OTIOGKWJPCZQCI-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001717474546 1421407732 /nfs/dbraw/zinc/40/77/32/1421407732.db2.gz OTIOGKWJPCZQCI-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717476749 1421410447 /nfs/dbraw/zinc/41/04/47/1421410447.db2.gz RMAOQRAKMDLQTJ-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001717585857 1421513784 /nfs/dbraw/zinc/51/37/84/1421513784.db2.gz ZCZKAYVYGIMZRB-FVNWOWOISA-N 2 0 337.552 3.147 10 0 EGAERP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001717599190 1421522252 /nfs/dbraw/zinc/52/22/52/1421522252.db2.gz BNTTVRIOFBVXCM-HAGHYFMRSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCCC3)C[C@H]2C1 ZINC001717624186 1421533108 /nfs/dbraw/zinc/53/31/08/1421533108.db2.gz PKHOFYHULFWLQZ-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001717642896 1421546786 /nfs/dbraw/zinc/54/67/86/1421546786.db2.gz KSHOBDUSFZCXCK-MUGJNUQGSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)CCC[NH+]1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733306778 1429490255 /nfs/dbraw/zinc/49/02/55/1429490255.db2.gz ROLBOEUSQNVMET-UHFFFAOYSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001717738498 1421602580 /nfs/dbraw/zinc/60/25/80/1421602580.db2.gz KVFDRTJVWGFLPC-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001717796208 1421627272 /nfs/dbraw/zinc/62/72/72/1421627272.db2.gz OYCIEJSUNMQLHC-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001717806407 1421631876 /nfs/dbraw/zinc/63/18/76/1421631876.db2.gz UQMDYVVNWKBATQ-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCC1CCCCC1 ZINC001717858203 1421670781 /nfs/dbraw/zinc/67/07/81/1421670781.db2.gz QEUGWTHADANWJZ-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001717860128 1421672828 /nfs/dbraw/zinc/67/28/28/1421672828.db2.gz HRCKEYXXZUTXSP-ICSRJNTNSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001717861114 1421673665 /nfs/dbraw/zinc/67/36/65/1421673665.db2.gz TYHOAQOJXJXDSI-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881866 1421685982 /nfs/dbraw/zinc/68/59/82/1421685982.db2.gz VXGFBADSRATXPJ-RTBURBONSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001717952339 1421723194 /nfs/dbraw/zinc/72/31/94/1421723194.db2.gz TUQGBZUXPFPWCB-RTBURBONSA-N 2 0 345.531 3.258 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCCc2ccccc21)C(C)(C)C ZINC001717966925 1421738886 /nfs/dbraw/zinc/73/88/86/1421738886.db2.gz UBGSICDPGDTYOH-OALUTQOASA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733348787 1429529802 /nfs/dbraw/zinc/52/98/02/1429529802.db2.gz NCDWLKAEYVEDMX-VQTJNVASSA-N 2 0 347.547 3.330 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC001733360018 1429542857 /nfs/dbraw/zinc/54/28/57/1429542857.db2.gz KMJCNFPOFVNGCX-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1 ZINC001733362837 1429548238 /nfs/dbraw/zinc/54/82/38/1429548238.db2.gz XEQUFJBUJCJKSG-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001733390788 1429580674 /nfs/dbraw/zinc/58/06/74/1429580674.db2.gz ANTXFHAETZFPQN-QRVBRYPASA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733439009 1429646728 /nfs/dbraw/zinc/64/67/28/1429646728.db2.gz WXSWCWYAOSWEAL-TZIWHRDSSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001723088236 1424298786 /nfs/dbraw/zinc/29/87/86/1424298786.db2.gz QHEWPRSUYQTPAM-INIZCTEOSA-N 2 0 349.494 3.199 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001723369836 1424373783 /nfs/dbraw/zinc/37/37/83/1424373783.db2.gz FJHQJQJJWANJBI-LJJUJYJISA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001723375995 1424376885 /nfs/dbraw/zinc/37/68/85/1424376885.db2.gz CXWAHIRTMDKKCW-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](CC)C1 ZINC001723388167 1424382353 /nfs/dbraw/zinc/38/23/53/1424382353.db2.gz ZHIRDKJGNAMXJJ-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001723521835 1424451234 /nfs/dbraw/zinc/45/12/34/1424451234.db2.gz RBGTWAYKTZLPLV-SFHVURJKSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC(C)(C)C1)C2 ZINC001733518667 1429728528 /nfs/dbraw/zinc/72/85/28/1429728528.db2.gz SGLUKKXAAVZAMT-UHOSZYNNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001723707371 1424539048 /nfs/dbraw/zinc/53/90/48/1424539048.db2.gz ZKZGGHPOWIKDQQ-YSIASYRMSA-N 2 0 343.515 3.153 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001723720502 1424545832 /nfs/dbraw/zinc/54/58/32/1424545832.db2.gz APBIUEASXAJSMY-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723854400 1424585807 /nfs/dbraw/zinc/58/58/07/1424585807.db2.gz AWDVEQLGWHDKGL-AEFFLSMTSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733539710 1429745646 /nfs/dbraw/zinc/74/56/46/1429745646.db2.gz ZCULXEKFTJWEPK-ASIGSXEYSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001724269094 1424764599 /nfs/dbraw/zinc/76/45/99/1424764599.db2.gz SXTPTJQTMWUHMX-FPOVZHCZSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001724307326 1424789960 /nfs/dbraw/zinc/78/99/60/1424789960.db2.gz ZHMNNZPCUPKTFM-HDICACEKSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001733558000 1429756099 /nfs/dbraw/zinc/75/60/99/1429756099.db2.gz XJOYOWIGRFRZQZ-DDRDIHNTSA-N 2 0 349.563 3.147 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001724511066 1424887502 /nfs/dbraw/zinc/88/75/02/1424887502.db2.gz DYOYSICPNJXUFA-LJQANCHMSA-N 2 0 345.531 3.279 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001724654314 1425019117 /nfs/dbraw/zinc/01/91/17/1425019117.db2.gz MCZRVOCVCJXASY-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001724728428 1425079841 /nfs/dbraw/zinc/07/98/41/1425079841.db2.gz NTSAQUWQJRDXHY-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001724751644 1425121778 /nfs/dbraw/zinc/12/17/78/1425121778.db2.gz SXJLYFSHBARXHX-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001724846509 1425198685 /nfs/dbraw/zinc/19/86/85/1425198685.db2.gz VIWJRQDDBLOTHM-RTBURBONSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001724857816 1425233272 /nfs/dbraw/zinc/23/32/72/1425233272.db2.gz NSARPYLRCUZREZ-UYAOXDASSA-N 2 0 347.547 3.485 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC001724860411 1425242272 /nfs/dbraw/zinc/24/22/72/1425242272.db2.gz OCPJBCXLDAUIKJ-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CC3CC3)C2)C1 ZINC001724897895 1425291523 /nfs/dbraw/zinc/29/15/23/1425291523.db2.gz KLVMVDFAGJTQKB-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001724902829 1425297339 /nfs/dbraw/zinc/29/73/39/1425297339.db2.gz ZEDLREVBVQAAAR-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1c(C(=O)N2CCC(C)([NH2+]CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001724958377 1425345416 /nfs/dbraw/zinc/34/54/16/1425345416.db2.gz RDVWMZFWIXCCQY-UHFFFAOYSA-N 2 0 342.487 3.273 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001724966065 1425357917 /nfs/dbraw/zinc/35/79/17/1425357917.db2.gz LKQWZICGMQDXCV-IPLHWJFFSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001724979011 1425379947 /nfs/dbraw/zinc/37/99/47/1425379947.db2.gz JRDPPIVTCDPVOX-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001725000837 1425409837 /nfs/dbraw/zinc/40/98/37/1425409837.db2.gz HDHUDYMDJMEXAI-AZUAARDMSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1)[NH+](CC)CC ZINC001725055232 1425490653 /nfs/dbraw/zinc/49/06/53/1425490653.db2.gz JCFPUWFRNDNJQQ-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001725054978 1425490887 /nfs/dbraw/zinc/49/08/87/1425490887.db2.gz CMLBUVVEUOGPIW-HXUWFJFHSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001725056081 1425493216 /nfs/dbraw/zinc/49/32/16/1425493216.db2.gz RASGYOHGYRFLML-PMACEKPBSA-N 2 0 349.563 3.223 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001725192686 1425742027 /nfs/dbraw/zinc/74/20/27/1425742027.db2.gz CFSXGOJPNYXXKY-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1=CCCCC1 ZINC001725215357 1425779862 /nfs/dbraw/zinc/77/98/62/1425779862.db2.gz XXCGDDCTPNRQJT-RLLQIKCJSA-N 2 0 349.563 3.290 10 0 EGAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725231197 1425805689 /nfs/dbraw/zinc/80/56/89/1425805689.db2.gz FQVVNNQCARXYMC-HKUYNNGSSA-N 2 0 337.552 3.457 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001725335340 1425980205 /nfs/dbraw/zinc/98/02/05/1425980205.db2.gz OJGWOSLGLUVYCO-GYMRMKKLSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001725457258 1426122810 /nfs/dbraw/zinc/12/28/10/1426122810.db2.gz SBXAYCIKFOGLET-UXHICEINSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001725478162 1426152320 /nfs/dbraw/zinc/15/23/20/1426152320.db2.gz CHJLIMGFYRSTLP-DLBZAZTESA-N 2 0 325.541 3.122 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001725609062 1426267186 /nfs/dbraw/zinc/26/71/86/1426267186.db2.gz GEIOYQZVZPZKHA-CGFOTUQPSA-N 2 0 347.547 3.186 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001725616634 1426278981 /nfs/dbraw/zinc/27/89/81/1426278981.db2.gz BZELYBLKARTVKP-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001725627780 1426295240 /nfs/dbraw/zinc/29/52/40/1426295240.db2.gz KPCLGTTXRUZRLY-DSKINZAPSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]2C)CC1 ZINC001725661549 1426344230 /nfs/dbraw/zinc/34/42/30/1426344230.db2.gz GRNIQALAZABSKV-FUHWJXTLSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c1 ZINC001725758618 1426438016 /nfs/dbraw/zinc/43/80/16/1426438016.db2.gz VAZLCZUACCGGFH-MJGOQNOKSA-N 2 0 345.531 3.272 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001725794871 1426480169 /nfs/dbraw/zinc/48/01/69/1426480169.db2.gz RBTCIERDEKZYPK-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001731388149 1427337295 /nfs/dbraw/zinc/33/72/95/1427337295.db2.gz WFCZUKXTALJILI-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001731416818 1427388926 /nfs/dbraw/zinc/38/89/26/1427388926.db2.gz NPRUFAVFHZWFGC-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731433212 1427414736 /nfs/dbraw/zinc/41/47/36/1427414736.db2.gz SZTHSBKAOLUIJR-FKDQEEMOSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001731505253 1427489896 /nfs/dbraw/zinc/48/98/96/1427489896.db2.gz TUAWOQCGWZSIJS-ASIGSXEYSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001731517844 1427505490 /nfs/dbraw/zinc/50/54/90/1427505490.db2.gz FEMBKHQNGVNBHY-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001731521834 1427510020 /nfs/dbraw/zinc/51/00/20/1427510020.db2.gz MJSGDWKKUHQEAZ-GOSISDBHSA-N 2 0 345.531 3.033 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001731528900 1427518906 /nfs/dbraw/zinc/51/89/06/1427518906.db2.gz BPDISVJXJWKNNO-QUCCMNQESA-N 2 0 345.531 3.306 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001731604799 1427649237 /nfs/dbraw/zinc/64/92/37/1427649237.db2.gz WUSVNLCYRIOGCQ-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001731621818 1427672111 /nfs/dbraw/zinc/67/21/11/1427672111.db2.gz HPPCKARFHVGMGM-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001731621823 1427672162 /nfs/dbraw/zinc/67/21/62/1427672162.db2.gz HPPCKARFHVGMGM-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001731661528 1427713438 /nfs/dbraw/zinc/71/34/38/1427713438.db2.gz DLYAATUCWZBRGI-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001731694757 1427744173 /nfs/dbraw/zinc/74/41/73/1427744173.db2.gz MDOKASRGNVVPAE-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001731711254 1427769107 /nfs/dbraw/zinc/76/91/07/1427769107.db2.gz AMEGDDCDXUSWGQ-GBESFXJTSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001731728997 1427804254 /nfs/dbraw/zinc/80/42/54/1427804254.db2.gz FAJGSYGVODAIDS-YLJYHZDGSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CCC1CCCCCC1 ZINC001731870931 1428127289 /nfs/dbraw/zinc/12/72/89/1428127289.db2.gz SYRBBFIOKMXOIQ-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001731938461 1428176844 /nfs/dbraw/zinc/17/68/44/1428176844.db2.gz NWPWOJJLMDKVBM-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP CCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001731995718 1428204541 /nfs/dbraw/zinc/20/45/41/1428204541.db2.gz HZEVWJMEPKBRDT-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001731996472 1428205974 /nfs/dbraw/zinc/20/59/74/1428205974.db2.gz LSKQHFFHPLPHMI-SQGPQFPESA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CCC(C)(C)CC3)C[C@H]21 ZINC001733601782 1429808077 /nfs/dbraw/zinc/80/80/77/1429808077.db2.gz RQMGIIHUPKSKFS-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001733607748 1429823953 /nfs/dbraw/zinc/82/39/53/1429823953.db2.gz VPLBGQLJYDOJJQ-RTBURBONSA-N 2 0 347.547 3.260 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001733607775 1429824486 /nfs/dbraw/zinc/82/44/86/1429824486.db2.gz VYYWSXQOOUMCJF-VAMGGRTRSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001733665023 1429858531 /nfs/dbraw/zinc/85/85/31/1429858531.db2.gz HMXHXRVPWMETSS-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668125 1429862750 /nfs/dbraw/zinc/86/27/50/1429862750.db2.gz SKFAOFFXGNMGMX-UYAOXDASSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001733675963 1429871301 /nfs/dbraw/zinc/87/13/01/1429871301.db2.gz JALNEFVIGMCQGA-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC001733762728 1429979263 /nfs/dbraw/zinc/97/92/63/1429979263.db2.gz CJJNHFJIDBIODI-WOJBJXKFSA-N 2 0 345.531 3.278 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733806475 1430077652 /nfs/dbraw/zinc/07/76/52/1430077652.db2.gz OAUHGRYPIBWPKX-ROUUACIJSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001733869519 1437695992 /nfs/dbraw/zinc/69/59/92/1437695992.db2.gz LIAWZSNQRIABKS-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001733896846 1437714463 /nfs/dbraw/zinc/71/44/63/1437714463.db2.gz ABXSEJYUQJYJSD-DSQZMVHQSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001733904571 1437723220 /nfs/dbraw/zinc/72/32/20/1437723220.db2.gz ZZPVZJUOHJMYKT-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CC[N@H+](CC1CCN(C(=O)CC[NH+](C)C)CC1)[C@H](C)c1ccccc1 ZINC001733920214 1437734008 /nfs/dbraw/zinc/73/40/08/1437734008.db2.gz ZVWHGFQLDFNQLI-GOSISDBHSA-N 2 0 345.531 3.260 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001733975045 1437774976 /nfs/dbraw/zinc/77/49/76/1437774976.db2.gz XQTZJTDYTQQSOI-IAGOWNOFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001734034225 1437822541 /nfs/dbraw/zinc/82/25/41/1437822541.db2.gz ICQCELFABLALJU-IEBWSBKVSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)CC1CCCC1 ZINC001734042522 1437830819 /nfs/dbraw/zinc/83/08/19/1437830819.db2.gz HRXRWPLCHOGMOH-INIZCTEOSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCC1 ZINC001734044661 1437833015 /nfs/dbraw/zinc/83/30/15/1437833015.db2.gz PLCARYAGXMCZMW-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH+]2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122088 1437902002 /nfs/dbraw/zinc/90/20/02/1437902002.db2.gz ZAIOBZFTUKSIBO-DLBZAZTESA-N 2 0 345.531 3.259 10 0 EGAERP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001734123618 1437903222 /nfs/dbraw/zinc/90/32/22/1437903222.db2.gz GXBPFSRNUYZFEC-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001734123616 1437903305 /nfs/dbraw/zinc/90/33/05/1437903305.db2.gz GXBPFSRNUYZFEC-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001734148756 1437916687 /nfs/dbraw/zinc/91/66/87/1437916687.db2.gz VFMPBNMJUONAEZ-QZTJIDSGSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001734187808 1437931105 /nfs/dbraw/zinc/93/11/05/1437931105.db2.gz HPMSPIUNPPFDTC-OISZBXDOSA-N 2 0 347.547 3.044 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001734197258 1437938613 /nfs/dbraw/zinc/93/86/13/1437938613.db2.gz OLKHWKCRHGSHQA-IBGZPJMESA-N 2 0 343.515 3.014 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001734210674 1437944344 /nfs/dbraw/zinc/94/43/44/1437944344.db2.gz PYCRPNJDNNFLDA-MUGJNUQGSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232913 1437951428 /nfs/dbraw/zinc/95/14/28/1437951428.db2.gz HJXYVTPLYPVFKN-AEFFLSMTSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232915 1437951504 /nfs/dbraw/zinc/95/15/04/1437951504.db2.gz HJXYVTPLYPVFKN-SJLPKXTDSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC2CC(C)(C)C2)CC1 ZINC001734274379 1438007722 /nfs/dbraw/zinc/00/77/22/1438007722.db2.gz KPTAAEGFBQVLGS-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)C(C)C ZINC001734288203 1438017881 /nfs/dbraw/zinc/01/78/81/1438017881.db2.gz JALPZGGOCXKLBD-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001734331294 1438054763 /nfs/dbraw/zinc/05/47/63/1438054763.db2.gz BOXSYVJUFXEXMJ-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](C[C@H](C)CC(C)C)CC2 ZINC001734444673 1438106024 /nfs/dbraw/zinc/10/60/24/1438106024.db2.gz VWGTXESFXJHVTC-HBFSDRIKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CC1CCCC1 ZINC001734454734 1438112376 /nfs/dbraw/zinc/11/23/76/1438112376.db2.gz BWEYSMVLWCYTMC-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001734551940 1438149506 /nfs/dbraw/zinc/14/95/06/1438149506.db2.gz LJOUWNKKJURWLV-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001734595162 1438180579 /nfs/dbraw/zinc/18/05/79/1438180579.db2.gz VFJXQECWECNJQP-RFIAEWFUSA-N 2 0 335.536 3.185 10 0 EGAERP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001734636934 1438196607 /nfs/dbraw/zinc/19/66/07/1438196607.db2.gz MVKUISMDPGUTTL-SFHVURJKSA-N 2 0 335.536 3.047 10 0 EGAERP CCCOc1c(Cl)cc(C[NH2+]CC2CC[NH2+]CC2)cc1OC ZINC000020968067 202060043 /nfs/dbraw/zinc/06/00/43/202060043.db2.gz OSHBNRBDNUKRHU-UHFFFAOYSA-N 2 0 326.868 3.227 10 0 EGAERP c1cnn(-c2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000298571388 201353957 /nfs/dbraw/zinc/35/39/57/201353957.db2.gz XAEFFELQTFYQPH-UHFFFAOYSA-N 2 0 333.439 3.026 10 0 EGAERP CCC[NH+]1CCC(N2CC3(C2)CC[N@H+](Cc2ccccc2)C3)CC1 ZINC000063526874 202807138 /nfs/dbraw/zinc/80/71/38/202807138.db2.gz MVJKZKRNTJVEPZ-UHFFFAOYSA-N 2 0 327.516 3.069 10 0 EGAERP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC[C@@H]1O ZINC000159178186 206229099 /nfs/dbraw/zinc/22/90/99/206229099.db2.gz FRZCKBWMCVKXHL-SFTDATJTSA-N 2 0 330.516 3.224 10 0 EGAERP C[C@@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC[C@H]1O ZINC000159178433 206229041 /nfs/dbraw/zinc/22/90/41/206229041.db2.gz FRZCKBWMCVKXHL-RTWAWAEBSA-N 2 0 330.516 3.224 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[C@H](C)O1 ZINC000175982718 207180141 /nfs/dbraw/zinc/18/01/41/207180141.db2.gz YAIKAUGNFIUNRB-CALCHBBNSA-N 2 0 342.487 3.056 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1)C(C)C ZINC000247365371 285096792 /nfs/dbraw/zinc/09/67/92/285096792.db2.gz KKDOGCRGBUCIEA-PXNSSMCTSA-N 2 0 345.531 3.472 10 0 EGAERP Cc1ccc2c(CN3CC[C@@H]4[C@@H](CCC[N@H+]4C)C3)cc(=O)oc2c1C ZINC000246855670 141039845 /nfs/dbraw/zinc/03/98/45/141039845.db2.gz KXEJPTVMKOEFCD-QFBILLFUSA-N 2 0 340.467 3.326 10 0 EGAERP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CCOC(C)(C)C1 ZINC000356238493 141325779 /nfs/dbraw/zinc/32/57/79/141325779.db2.gz MPFQSMNCRZNVNN-GOSISDBHSA-N 2 0 328.460 3.355 10 0 EGAERP CCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000185573280 144115154 /nfs/dbraw/zinc/11/51/54/144115154.db2.gz WCWPWMZJHDQQEN-HXUWFJFHSA-N 2 0 344.547 3.463 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CC[NH+](CC4CCOCC4)CC3)c2c1 ZINC000185722351 144117940 /nfs/dbraw/zinc/11/79/40/144117940.db2.gz VQZPLYZKXPIHCN-UHFFFAOYSA-N 2 0 325.456 3.092 10 0 EGAERP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000118759325 152151690 /nfs/dbraw/zinc/15/16/90/152151690.db2.gz TWWJVFVDJQMYFL-SFHVURJKSA-N 2 0 343.515 3.163 10 0 EGAERP CCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000119612565 152217509 /nfs/dbraw/zinc/21/75/09/152217509.db2.gz WLMHEPHBUFIRRI-QGZVFWFLSA-N 2 0 331.504 3.067 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CN(C)Cc2cscn2)CC1 ZINC000120228536 152260295 /nfs/dbraw/zinc/26/02/95/152260295.db2.gz ZNAVZXLURLSMNA-UHFFFAOYSA-N 2 0 344.528 3.307 10 0 EGAERP CN1CC[NH+]([C@H]2CCCCN(Cc3cc(F)ccc3Cl)C2)CC1 ZINC000189207367 153057249 /nfs/dbraw/zinc/05/72/49/153057249.db2.gz DKWQMLDMSZILQT-KRWDZBQOSA-N 2 0 339.886 3.081 10 0 EGAERP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000236631155 153455769 /nfs/dbraw/zinc/45/57/69/153455769.db2.gz YWCBFAXPTUIHKK-PXNSSMCTSA-N 2 0 343.515 3.052 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C12CCOCC2 ZINC000249052109 286394610 /nfs/dbraw/zinc/39/46/10/286394610.db2.gz WXIYJHQUMWMOFG-OKZBNKHCSA-N 2 0 326.525 3.061 10 0 EGAERP c1csc(-c2noc(CCC[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000324949952 154177319 /nfs/dbraw/zinc/17/73/19/154177319.db2.gz GPXRHLRPQZMQDU-OAHLLOKOSA-N 2 0 346.500 3.195 10 0 EGAERP CCC[N@H+](CCc1ccccn1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349064760 156341145 /nfs/dbraw/zinc/34/11/45/156341145.db2.gz WHJXFJBSPIYLDE-UHFFFAOYSA-N 2 0 335.455 3.425 10 0 EGAERP CC(C)c1nc2c([nH]1)C[C@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000372404238 157320566 /nfs/dbraw/zinc/32/05/66/157320566.db2.gz KLFMMMMWELTHNT-CQSZACIVSA-N 2 0 346.519 3.017 10 0 EGAERP C[C@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2F)C[C@H]1n1ccnc1 ZINC000248564517 163015401 /nfs/dbraw/zinc/01/54/01/163015401.db2.gz OGGUPHAYAGJDGV-SUMWQHHRSA-N 2 0 333.382 3.317 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C)C[C@@H]2c2ccco2)CC1 ZINC000249064428 163053810 /nfs/dbraw/zinc/05/38/10/163053810.db2.gz QBDLZNGPYKBXGT-RTBURBONSA-N 2 0 333.520 3.469 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C(C3CCC3)C3CCC3)cn2)CC1 ZINC000338694746 163321206 /nfs/dbraw/zinc/32/12/06/163321206.db2.gz PDZHVHSJGTZWNN-UHFFFAOYSA-N 2 0 342.531 3.282 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1)CC1CC1 ZINC000346507792 164388470 /nfs/dbraw/zinc/38/84/70/164388470.db2.gz UYYQDXCWTUXTBM-MRXNPFEDSA-N 2 0 336.442 3.134 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000346547746 164394564 /nfs/dbraw/zinc/39/45/64/164394564.db2.gz BDSOAVSEKXRDBD-HYVNUMGLSA-N 2 0 344.421 3.190 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000352049817 165209632 /nfs/dbraw/zinc/20/96/32/165209632.db2.gz TUNSEEARURYKOF-MISYRCLQSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000355381969 166181653 /nfs/dbraw/zinc/18/16/53/166181653.db2.gz ICOQEXXBVJXLPT-QUCCMNQESA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000359226875 167101674 /nfs/dbraw/zinc/10/16/74/167101674.db2.gz GQZWEGLPIPMRCR-NHCUHLMSSA-N 2 0 339.483 3.135 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000366284208 168102769 /nfs/dbraw/zinc/10/27/69/168102769.db2.gz OKZZRQXMVJXDPZ-WYNBGMTASA-N 2 0 327.516 3.113 10 0 EGAERP c1ccc(NC[C@@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)nc1 ZINC000193243991 266018723 /nfs/dbraw/zinc/01/87/23/266018723.db2.gz UQRAZJJBDGBHJP-SFHVURJKSA-N 2 0 337.467 3.383 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)CC1 ZINC000273259230 267007955 /nfs/dbraw/zinc/00/79/55/267007955.db2.gz XPIITGLORSPGGA-HXUWFJFHSA-N 2 0 343.559 3.356 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277285730 267748487 /nfs/dbraw/zinc/74/84/87/267748487.db2.gz TXEUXCOPAKIOOB-MRXNPFEDSA-N 2 0 334.504 3.434 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)ccc1F ZINC000287789051 276157238 /nfs/dbraw/zinc/15/72/38/276157238.db2.gz SRQDPGTWUCYIKO-DZGCQCFKSA-N 2 0 334.357 3.087 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287839904 276162184 /nfs/dbraw/zinc/16/21/84/276162184.db2.gz WDUHIXYOZGJGQH-MRXNPFEDSA-N 2 0 327.476 3.040 10 0 EGAERP C[NH+]1CCC(Cc2nc(-c3cccc(C[NH+]4CCCC4)c3)no2)CC1 ZINC000288916131 276267105 /nfs/dbraw/zinc/26/71/05/276267105.db2.gz LDBUAOVGTYYMNC-UHFFFAOYSA-N 2 0 340.471 3.217 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481979 277043871 /nfs/dbraw/zinc/04/38/71/277043871.db2.gz FGOIKSGCRMYDGU-QZTJIDSGSA-N 2 0 330.520 3.273 10 0 EGAERP Cc1cc2c(cc1C)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000150977094 301447160 /nfs/dbraw/zinc/44/71/60/301447160.db2.gz ZRUVVEMFVVXUKP-HXUWFJFHSA-N 2 0 345.531 3.133 10 0 EGAERP COCCOc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414183154 309065369 /nfs/dbraw/zinc/06/53/69/309065369.db2.gz NFWJBAWBSZRDTG-HNNXBMFYSA-N 2 0 325.412 3.210 10 0 EGAERP CCC[C@H](C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1)[NH+](C)C ZINC000161924550 307907752 /nfs/dbraw/zinc/90/77/52/307907752.db2.gz SFYYUCUYMDZHBK-GOSISDBHSA-N 2 0 347.503 3.138 10 0 EGAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414327080 309073168 /nfs/dbraw/zinc/07/31/68/309073168.db2.gz BETJWCVHCUTJAB-LLVBAIKDSA-N 2 0 342.527 3.428 10 0 EGAERP C[C@@H](C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1)c1cccc(Cl)c1 ZINC000249855333 308028843 /nfs/dbraw/zinc/02/88/43/308028843.db2.gz PZUYTMSNTSELQP-HOTGVXAUSA-N 2 0 338.923 3.468 10 0 EGAERP COc1cc(C[NH2+]CC[C@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414825908 309104019 /nfs/dbraw/zinc/10/40/19/309104019.db2.gz DHBWWLJHVODMDQ-QGZVFWFLSA-N 2 0 340.467 3.363 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1cccs1 ZINC000414947531 309110769 /nfs/dbraw/zinc/11/07/69/309110769.db2.gz WLFFNOCPRZVKNN-WMLDXEAASA-N 2 0 346.496 3.423 10 0 EGAERP CC[C@@H]1C[C@H](C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007155 309113919 /nfs/dbraw/zinc/11/39/19/309113919.db2.gz QXUAEYXNJKXIRV-MCYKXBRJSA-N 2 0 334.479 3.314 10 0 EGAERP CC(C)(C)c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415045959 309116359 /nfs/dbraw/zinc/11/63/59/309116359.db2.gz CCYSCFAZPZZZJT-UHFFFAOYSA-N 2 0 329.532 3.290 10 0 EGAERP Cc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053309 309116780 /nfs/dbraw/zinc/11/67/80/309116780.db2.gz MMHUSZKTJPCGRD-LIKPIUCQSA-N 2 0 341.543 3.437 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC[NH2+]C1CC1 ZINC000415065309 309117901 /nfs/dbraw/zinc/11/79/01/309117901.db2.gz FVYQJHSQVAIEJT-LLVKDONJSA-N 2 0 329.257 3.251 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000415916200 309148430 /nfs/dbraw/zinc/14/84/30/309148430.db2.gz BAPIOBVPILONSR-UHFFFAOYSA-N 2 0 332.492 3.182 10 0 EGAERP CC[NH+](CC)CC1CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416132983 309160130 /nfs/dbraw/zinc/16/01/30/309160130.db2.gz BUFWVTJWBJKORB-FQEVSTJZSA-N 2 0 345.531 3.260 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000417027142 309190284 /nfs/dbraw/zinc/19/02/84/309190284.db2.gz APECEOBOECRDLE-IRXDYDNUSA-N 2 0 346.519 3.160 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000417038505 309190704 /nfs/dbraw/zinc/19/07/04/309190704.db2.gz IUQXIQZVUVHPEL-IAGOWNOFSA-N 2 0 346.519 3.018 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417528164 309209484 /nfs/dbraw/zinc/20/94/84/309209484.db2.gz FBBSHAWOKJBNFQ-ZIFCJYIRSA-N 2 0 346.519 3.029 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000420314116 309281406 /nfs/dbraw/zinc/28/14/06/309281406.db2.gz YUEBCZSNKIIDBM-XLIONFOSSA-N 2 0 332.488 3.161 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)cc1 ZINC000420386359 309285729 /nfs/dbraw/zinc/28/57/29/309285729.db2.gz FRLUKADNVMFXLO-MSOLQXFVSA-N 2 0 340.471 3.133 10 0 EGAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750894 309366448 /nfs/dbraw/zinc/36/64/48/309366448.db2.gz DVJUNEQZIZXOMT-CTNGQTDRSA-N 2 0 338.451 3.219 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422752641 309366598 /nfs/dbraw/zinc/36/65/98/309366598.db2.gz CUHJSRNICNRPIR-LRGNLBRXSA-N 2 0 343.515 3.174 10 0 EGAERP COc1ccc([C@H](NCCC[N@@H+]2CCCC[C@@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422763607 309367105 /nfs/dbraw/zinc/36/71/05/309367105.db2.gz JJEKHFDJNTYBSZ-YYWHXJBOSA-N 2 0 345.531 3.342 10 0 EGAERP COc1ccc([C@H](NCCC[N@@H+]2CCCC[C@@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422763605 309367209 /nfs/dbraw/zinc/36/72/09/309367209.db2.gz JJEKHFDJNTYBSZ-WMQCIHAUSA-N 2 0 345.531 3.342 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1 ZINC000422786012 309368127 /nfs/dbraw/zinc/36/81/27/309368127.db2.gz NYXLFNYPTAXWRE-PWRODBHTSA-N 3 0 327.516 3.293 10 0 EGAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422885879 309374152 /nfs/dbraw/zinc/37/41/52/309374152.db2.gz HNOKEGPLFHPCQM-VWYCLODISA-N 3 0 329.532 3.250 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CCCCC[C@@H]2[NH3+])CCOCC1 ZINC000422895720 309374750 /nfs/dbraw/zinc/37/47/50/309374750.db2.gz GKFFYHURCIAVSO-OALUTQOASA-N 2 0 346.515 3.301 10 0 EGAERP CC[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422907522 309375535 /nfs/dbraw/zinc/37/55/35/309375535.db2.gz LLWCPRGRUZKLTC-OSYNSWQESA-N 2 0 327.516 3.302 10 0 EGAERP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422916356 309375984 /nfs/dbraw/zinc/37/59/84/309375984.db2.gz AEVHOQZBDAFTQG-FRTACKCFSA-N 2 0 344.499 3.283 10 0 EGAERP COC[C@H]([NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422953602 309377898 /nfs/dbraw/zinc/37/78/98/309377898.db2.gz FULBWUHJMDAEAB-ZJOUEHCJSA-N 2 0 338.451 3.220 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422956794 309377977 /nfs/dbraw/zinc/37/79/77/309377977.db2.gz LZTAOOZMBOVPEP-HNNXBMFYSA-N 2 0 330.394 3.428 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)cc[nH+]1 ZINC000422985339 309379486 /nfs/dbraw/zinc/37/94/86/309379486.db2.gz DFLXIUVGHRIGBQ-PWRODBHTSA-N 3 0 342.531 3.198 10 0 EGAERP CCN1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017862 309381124 /nfs/dbraw/zinc/38/11/24/309381124.db2.gz PREJNIUATMEJDH-UDVXPWBQSA-N 2 0 327.875 3.330 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423056454 309383414 /nfs/dbraw/zinc/38/34/14/309383414.db2.gz FTOIBUASZYJGTK-OAHLLOKOSA-N 2 0 330.394 3.081 10 0 EGAERP COc1ccc([C@@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080877 309384880 /nfs/dbraw/zinc/38/48/80/309384880.db2.gz TUPGYIQAEKMZKH-VQTJNVASSA-N 2 0 345.531 3.200 10 0 EGAERP C[C@@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423125896 309387158 /nfs/dbraw/zinc/38/71/58/309387158.db2.gz IIIWNMCXWNKWJE-KXBFYZLASA-N 2 0 328.431 3.349 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C3CC3)cc2F)CC[NH2+]CC1 ZINC000423129805 309387519 /nfs/dbraw/zinc/38/75/19/309387519.db2.gz MIYRXULHMYJCTN-AWEZNQCLSA-N 2 0 348.462 3.114 10 0 EGAERP Fc1ccc2c(c1)OCCC[C@@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423192261 309389928 /nfs/dbraw/zinc/38/99/28/309389928.db2.gz VANBJMJLHQITPP-SFHVURJKSA-N 2 0 329.419 3.204 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000423232715 309391668 /nfs/dbraw/zinc/39/16/68/309391668.db2.gz CQZBUCMUCKXXDA-VBKZILBWSA-N 3 0 326.488 3.323 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423257644 309392674 /nfs/dbraw/zinc/39/26/74/309392674.db2.gz KMWXOZSGAKIIEY-DOMZBBRYSA-N 2 0 327.394 3.457 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000423336890 309395927 /nfs/dbraw/zinc/39/59/27/309395927.db2.gz KBPVDDBCNIPURT-WIYYLYMNSA-N 2 0 329.532 3.061 10 0 EGAERP COC[C@@]1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC[NH2+]1 ZINC000423412267 309399042 /nfs/dbraw/zinc/39/90/42/309399042.db2.gz HLIYCQZXHBURFP-FQEVSTJZSA-N 2 0 339.568 3.024 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOCC(F)(F)F)CC1 ZINC000449073193 310034960 /nfs/dbraw/zinc/03/49/60/310034960.db2.gz RGYSOMNPSXUMRQ-HNNXBMFYSA-N 2 0 344.421 3.251 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCc2cnn(C)c2)CC1 ZINC000449113431 310037987 /nfs/dbraw/zinc/03/79/87/310037987.db2.gz VZGOQBAREACNKO-SFHVURJKSA-N 2 0 340.515 3.038 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)OC(C)(C)C)CC1 ZINC000449165069 310041610 /nfs/dbraw/zinc/04/16/10/310041610.db2.gz SUGOIRRWKXSKIW-KRWDZBQOSA-N 2 0 346.515 3.403 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](CO)c2cccnc2)CC1 ZINC000449330433 310054082 /nfs/dbraw/zinc/05/40/82/310054082.db2.gz LEIUTMRNFNEILC-GOSISDBHSA-N 2 0 347.547 3.426 10 0 EGAERP CC(C)[N@@H+](C)C[C@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449337935 310054671 /nfs/dbraw/zinc/05/46/71/310054671.db2.gz QUVUAHMLPVHZNC-OALUTQOASA-N 2 0 331.548 3.400 10 0 EGAERP CO[C@@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457558 310063614 /nfs/dbraw/zinc/06/36/14/310063614.db2.gz HQUARAJPOOARBZ-FUHWJXTLSA-N 2 0 340.552 3.307 10 0 EGAERP CO[C@](C)(C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000449485996 310065929 /nfs/dbraw/zinc/06/59/29/310065929.db2.gz SCFPSIDATYAXHI-HXUWFJFHSA-N 2 0 336.439 3.227 10 0 EGAERP C[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C[C@@H]1C ZINC000449967329 310096423 /nfs/dbraw/zinc/09/64/23/310096423.db2.gz UDRAXAORHHAGHY-QYZOEREBSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H](C2CC2)C2CCCC2)(N2CCCCC2)CC1 ZINC000453118242 310259023 /nfs/dbraw/zinc/25/90/23/310259023.db2.gz KXGBFCHNOSSVED-FQEVSTJZSA-N 2 0 333.564 3.495 10 0 EGAERP Fc1cc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(F)c1F ZINC000459455881 310553853 /nfs/dbraw/zinc/55/38/53/310553853.db2.gz DNEZYQFVVXXGGA-UHFFFAOYSA-N 2 0 335.373 3.300 10 0 EGAERP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475146834 310807107 /nfs/dbraw/zinc/80/71/07/310807107.db2.gz ZEYAYXWNMMXKKR-ZCNNSNEGSA-N 2 0 345.531 3.210 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CCCc2ccc(C)cc2)CC1 ZINC000483213819 310945037 /nfs/dbraw/zinc/94/50/37/310945037.db2.gz WAEPXESEZACCNR-UHFFFAOYSA-N 2 0 325.456 3.153 10 0 EGAERP Cc1ccc(O)c(C[NH2+]CC[C@@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505803 312212323 /nfs/dbraw/zinc/21/23/23/312212323.db2.gz MICQJNFQWCOTPQ-PKOBYXMFSA-N 2 0 339.483 3.486 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@@H]21 ZINC000513697638 312215612 /nfs/dbraw/zinc/21/56/12/312215612.db2.gz PZQYZLOUYJPLPB-FHWLQOOXSA-N 2 0 343.446 3.486 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000514086733 312224068 /nfs/dbraw/zinc/22/40/68/312224068.db2.gz CMYOXOUOSLHOBO-BHIFYINESA-N 2 0 341.543 3.156 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000516464914 312324701 /nfs/dbraw/zinc/32/47/01/312324701.db2.gz GXLNNNKEJSGOPJ-UXHICEINSA-N 2 0 339.483 3.220 10 0 EGAERP FC1(F)CC12C[C@H]1CC[C@@H](C2)[N@H+]1Cc1ccc(-n2ccnc2)nc1 ZINC000528579630 313123216 /nfs/dbraw/zinc/12/32/16/313123216.db2.gz CUAHIYDHFGZSSB-FKEKPDDDSA-N 2 0 330.382 3.420 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824426 314147953 /nfs/dbraw/zinc/14/79/53/314147953.db2.gz BBXCXJFHHUOCPT-RQIDZSJNSA-N 2 0 341.543 3.359 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536961759 314155027 /nfs/dbraw/zinc/15/50/27/314155027.db2.gz MPZLUIOCKSLWTI-HXUWFJFHSA-N 2 0 333.495 3.202 10 0 EGAERP CC(C)CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000553315281 315257241 /nfs/dbraw/zinc/25/72/41/315257241.db2.gz XQULINKSWRKDRP-GOSISDBHSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1cccc(NC(=O)CN(C)Cc2ccc3c(c2)C[NH2+]CC3)c1C ZINC000565093766 316264106 /nfs/dbraw/zinc/26/41/06/316264106.db2.gz PZWRXLLHHBBBAO-UHFFFAOYSA-N 2 0 337.467 3.020 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000567682375 316653695 /nfs/dbraw/zinc/65/36/95/316653695.db2.gz OYWVIENXHBFKKG-QFIPXVFZSA-N 2 0 340.511 3.455 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000572614565 317365540 /nfs/dbraw/zinc/36/55/40/317365540.db2.gz BGKXIRSNKSLCIL-IAGOWNOFSA-N 2 0 329.488 3.341 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000384069184 324258450 /nfs/dbraw/zinc/25/84/50/324258450.db2.gz UYQGEHADFWPESU-HBMCJLEFSA-N 2 0 328.500 3.303 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1OC ZINC000581005744 325320265 /nfs/dbraw/zinc/32/02/65/325320265.db2.gz HSPGNPUMRSVNMT-RCCFBDPRSA-N 2 0 332.488 3.147 10 0 EGAERP Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000581340601 325352733 /nfs/dbraw/zinc/35/27/33/325352733.db2.gz GSTLWAPELSSXLW-ZDUSSCGKSA-N 2 0 347.409 3.463 10 0 EGAERP COc1cccc([C@H]2[C@H]([NH2+]C3CCC(C[NH3+])CC3)CCN2C2CC2)c1 ZINC000583928834 325563076 /nfs/dbraw/zinc/56/30/76/325563076.db2.gz SIDZTUFBCXWBSH-LOPFGIASSA-N 2 0 343.515 3.080 10 0 EGAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183149592 455239055 /nfs/dbraw/zinc/23/90/55/455239055.db2.gz COEHJCVXCRJKTG-PCCBWWKXSA-N 2 0 338.499 3.082 10 0 EGAERP CN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000623477851 460570710 /nfs/dbraw/zinc/57/07/10/460570710.db2.gz ULXLXQAMISBJPO-WBAXXEDZSA-N 2 0 337.458 3.172 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[NH2+]CC1 ZINC000600706082 460574052 /nfs/dbraw/zinc/57/40/52/460574052.db2.gz CSLXTRAPZDECAZ-CGTJXYLNSA-N 2 0 344.499 3.090 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1(C)C ZINC000623507241 460588003 /nfs/dbraw/zinc/58/80/03/460588003.db2.gz AGCDZRCDGVHZHU-ZJOUEHCJSA-N 2 0 348.506 3.362 10 0 EGAERP CC[NH+](CC)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000081333712 453861887 /nfs/dbraw/zinc/86/18/87/453861887.db2.gz PLLGOVHWLVYQRQ-LJQANCHMSA-N 2 0 343.515 3.086 10 0 EGAERP C[N@H+](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)C1CCCCC1 ZINC000068899428 454063643 /nfs/dbraw/zinc/06/36/43/454063643.db2.gz QKAMSASRHRPQPG-UHFFFAOYSA-N 2 0 343.515 3.277 10 0 EGAERP C[C@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513094 454157657 /nfs/dbraw/zinc/15/76/57/454157657.db2.gz PTFVWTCJMQBSQT-QFBILLFUSA-N 2 0 343.515 3.029 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000119714904 454215747 /nfs/dbraw/zinc/21/57/47/454215747.db2.gz RLGXPGPVANEXPW-UHFFFAOYSA-N 2 0 334.508 3.076 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000090028405 454264977 /nfs/dbraw/zinc/26/49/77/454264977.db2.gz AWFHOBJCFVWWNI-MRXNPFEDSA-N 2 0 331.504 3.036 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@H](C)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000132491240 454344151 /nfs/dbraw/zinc/34/41/51/454344151.db2.gz MNMZTZKIOJJFHA-NVXWUHKLSA-N 2 0 335.561 3.159 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000124597276 454750808 /nfs/dbraw/zinc/75/08/08/454750808.db2.gz KKDOGCRGBUCIEA-YLJYHZDGSA-N 2 0 345.531 3.472 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCc3cc(F)ccc32)(N2CCCCC2)CC1 ZINC000124614268 454753591 /nfs/dbraw/zinc/75/35/91/454753591.db2.gz MOFRKIWIWAJJFG-HXUWFJFHSA-N 2 0 345.506 3.353 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)[C@H](C)C1 ZINC000180415879 455165356 /nfs/dbraw/zinc/16/53/56/455165356.db2.gz OOTFGEFOYYYSLO-VQIMIIECSA-N 2 0 326.488 3.249 10 0 EGAERP Cc1cc(C[C@@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000245646285 455346824 /nfs/dbraw/zinc/34/68/24/455346824.db2.gz BNWVZZDBFDLJCE-DPDLHNOKSA-N 2 0 338.499 3.434 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000245646286 455347002 /nfs/dbraw/zinc/34/70/02/455347002.db2.gz BNWVZZDBFDLJCE-MEGFKASBSA-N 2 0 338.499 3.434 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[NH+]1CCCCC1)CC3 ZINC000184142701 455356566 /nfs/dbraw/zinc/35/65/66/455356566.db2.gz GKYCOUWEKLDWIA-MRXNPFEDSA-N 2 0 341.499 3.499 10 0 EGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000174252766 455374033 /nfs/dbraw/zinc/37/40/33/455374033.db2.gz YROQEBUYBJYTOO-KRWDZBQOSA-N 2 0 333.495 3.427 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000245860461 455386949 /nfs/dbraw/zinc/38/69/49/455386949.db2.gz OOTFGEFOYYYSLO-LPHOPBHVSA-N 2 0 326.488 3.249 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C2)[nH+]1 ZINC000246136049 455433908 /nfs/dbraw/zinc/43/39/08/455433908.db2.gz NEKJUGVVMAMXRP-QZTJIDSGSA-N 2 0 346.519 3.017 10 0 EGAERP CC[NH+](CC)[C@@H](C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182129393 455442246 /nfs/dbraw/zinc/44/22/46/455442246.db2.gz ZTYWXNUNRHGKKB-SFHVURJKSA-N 2 0 345.531 3.135 10 0 EGAERP C[N@@H+]1CC[C@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@H]1c1ccccc1 ZINC000248050606 455674585 /nfs/dbraw/zinc/67/45/85/455674585.db2.gz NTAZQTCKVYRAGA-VQTJNVASSA-N 2 0 346.434 3.048 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)[C@@H](C)C1 ZINC000285131791 455792549 /nfs/dbraw/zinc/79/25/49/455792549.db2.gz SKHLRABQKSPKCS-HKUYNNGSSA-N 2 0 343.515 3.018 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272385845 455933822 /nfs/dbraw/zinc/93/38/22/455933822.db2.gz GAUWIUIIDBIQSR-QOVBHOHNSA-N 2 0 339.527 3.254 10 0 EGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000261756741 455942444 /nfs/dbraw/zinc/94/24/44/455942444.db2.gz VJGNJVCLQWRMQN-DBVUQKKJSA-N 2 0 343.515 3.065 10 0 EGAERP COc1cc(CCC2CC[NH+](C[C@]3(C)CC[NH2+]C3)CC2)cc(OC)c1 ZINC000261898234 455966758 /nfs/dbraw/zinc/96/67/58/455966758.db2.gz VJYQHLGVAOYHNV-OAQYLSRUSA-N 2 0 346.515 3.348 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000280721993 456038121 /nfs/dbraw/zinc/03/81/21/456038121.db2.gz MHMQHGNHJDZNGF-SUMWQHHRSA-N 2 0 329.419 3.303 10 0 EGAERP CCC(CC)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000262662767 456050962 /nfs/dbraw/zinc/05/09/62/456050962.db2.gz HFRBQOVJTVTXCT-CGTJXYLNSA-N 2 0 331.504 3.140 10 0 EGAERP Cc1cccc2c(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)cc[nH+]c12 ZINC000301695440 456189374 /nfs/dbraw/zinc/18/93/74/456189374.db2.gz YKNOQJOURQGNPQ-SFHVURJKSA-N 2 0 338.499 3.150 10 0 EGAERP CC(C)(C)OC(=O)C1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000297393390 456207626 /nfs/dbraw/zinc/20/76/26/456207626.db2.gz BPPXBIOSZNKOLF-UHFFFAOYSA-N 2 0 329.444 3.324 10 0 EGAERP C[NH+]1CCC(Cc2nc(-c3ccc(C[NH+]4CCCC4)cc3)no2)CC1 ZINC000290123801 456246048 /nfs/dbraw/zinc/24/60/48/456246048.db2.gz GOESPBYCLTWJBT-UHFFFAOYSA-N 2 0 340.471 3.217 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189249289 456264567 /nfs/dbraw/zinc/26/45/67/456264567.db2.gz ZDBGTPZDWJIWMR-UHFFFAOYSA-N 2 0 344.478 3.282 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(N2CCCC2=O)cc1 ZINC000297622585 456265869 /nfs/dbraw/zinc/26/58/69/456265869.db2.gz VZUOJQIYEPWVMP-HNNXBMFYSA-N 2 0 334.423 3.312 10 0 EGAERP CC(C)[NH+](CCCNC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)C(C)C ZINC000347660437 456288557 /nfs/dbraw/zinc/28/85/57/456288557.db2.gz WEPNTFMCZIMEMJ-ROUUACIJSA-N 2 0 340.556 3.057 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CCN(C[C@@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000302149947 456300428 /nfs/dbraw/zinc/30/04/28/456300428.db2.gz JWOVSFCJPKIBOG-SFHVURJKSA-N 2 0 338.499 3.150 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCCC4)cn2)CC1 ZINC000340188337 456300452 /nfs/dbraw/zinc/30/04/52/456300452.db2.gz IQQZCJVBLLXBAM-IBGZPJMESA-N 2 0 342.531 3.426 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cn2)CC1 ZINC000340188343 456301029 /nfs/dbraw/zinc/30/10/29/456301029.db2.gz IQQZCJVBLLXBAM-LJQANCHMSA-N 2 0 342.531 3.426 10 0 EGAERP CC(C)(C)[NH+]1CCC([NH2+]CCc2cccc(C(F)(F)F)n2)CC1 ZINC000340429425 456456372 /nfs/dbraw/zinc/45/63/72/456456372.db2.gz WZNRLJQMQHCSGE-UHFFFAOYSA-N 2 0 329.410 3.495 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000353396305 456673299 /nfs/dbraw/zinc/67/32/99/456673299.db2.gz SOJXKGWWSSPIRE-RQSWOZRGSA-N 2 0 327.516 3.112 10 0 EGAERP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)n1 ZINC000353408590 456682118 /nfs/dbraw/zinc/68/21/18/456682118.db2.gz ZORRHSRZAMTFNU-SBHAEUEKSA-N 2 0 338.499 3.452 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21 ZINC000353458303 456701534 /nfs/dbraw/zinc/70/15/34/456701534.db2.gz BIEUZMOSLWFEFC-PWRODBHTSA-N 2 0 329.532 3.489 10 0 EGAERP CCc1nccn1[C@H]1CCCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000353511490 456724783 /nfs/dbraw/zinc/72/47/83/456724783.db2.gz BOSZYFOUBABWIG-HJPURHCSSA-N 2 0 331.485 3.020 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338533880 456837433 /nfs/dbraw/zinc/83/74/33/456837433.db2.gz BLNFNEJBNDEHCT-HDICACEKSA-N 2 0 343.515 3.275 10 0 EGAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000339054825 456918565 /nfs/dbraw/zinc/91/85/65/456918565.db2.gz VZACERJZORLZCH-QGZVFWFLSA-N 2 0 325.456 3.316 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCOCC2CC2)CC1 ZINC000354062285 457038230 /nfs/dbraw/zinc/03/82/30/457038230.db2.gz YFODOAUPTOTATF-UHFFFAOYSA-N 2 0 345.531 3.077 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000354085750 457052801 /nfs/dbraw/zinc/05/28/01/457052801.db2.gz YJLHBJPWDPPMLR-LJQANCHMSA-N 2 0 342.487 3.009 10 0 EGAERP CCCC[N@H+](C)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000356594301 457073074 /nfs/dbraw/zinc/07/30/74/457073074.db2.gz HXQAYDFHMOSCBU-KRWDZBQOSA-N 2 0 331.504 3.133 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000354143104 457091732 /nfs/dbraw/zinc/09/17/32/457091732.db2.gz LDKMBAUFWHWSFC-OAHLLOKOSA-N 2 0 343.475 3.246 10 0 EGAERP C[C@H](CCC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000342704375 457466829 /nfs/dbraw/zinc/46/68/29/457466829.db2.gz YABCUXKADMWNQV-MRXNPFEDSA-N 2 0 333.520 3.282 10 0 EGAERP COC[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CCOCC1 ZINC000364846911 457704301 /nfs/dbraw/zinc/70/43/01/457704301.db2.gz KZFVPRAEXLDTBX-LEWJYISDSA-N 2 0 346.515 3.072 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@@H]2CCC[C@H]21 ZINC000375836117 458086834 /nfs/dbraw/zinc/08/68/34/458086834.db2.gz BCLRLPAUIXREGX-SDDRHHMPSA-N 2 0 333.423 3.167 10 0 EGAERP Cc1nccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152351 458102335 /nfs/dbraw/zinc/10/23/35/458102335.db2.gz AOZSEFAXQXBLDM-TZIWHRDSSA-N 2 0 336.483 3.272 10 0 EGAERP Cc1cnc([C@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428289621 458113684 /nfs/dbraw/zinc/11/36/84/458113684.db2.gz KHLQWVAYNCDZTQ-KRWDZBQOSA-N 2 0 339.487 3.480 10 0 EGAERP CC1(C)Cc2cccc(C[NH2+]Cc3ccnc(-n4ccnc4)c3)c2O1 ZINC000369540706 458256214 /nfs/dbraw/zinc/25/62/14/458256214.db2.gz PPYILYJNMPMMHU-UHFFFAOYSA-N 2 0 334.423 3.271 10 0 EGAERP Cc1ccc(CNC2CC[NH+](C3CC3)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000459435764 458369946 /nfs/dbraw/zinc/36/99/46/458369946.db2.gz PEZYOQPQFVIMTR-QGZVFWFLSA-N 2 0 344.499 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H](CNC2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439467 458371718 /nfs/dbraw/zinc/37/17/18/458371718.db2.gz TZTXAXCOOOEXNW-BEFAXECRSA-N 2 0 333.545 3.347 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)C3)cc1 ZINC000423472014 458437312 /nfs/dbraw/zinc/43/73/12/458437312.db2.gz FSOIXWKZQIYCMK-XSDIEEQYSA-N 3 0 327.516 3.304 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2sccc21 ZINC000423501186 458444545 /nfs/dbraw/zinc/44/45/45/458444545.db2.gz AYVXSXISOFSCND-YHOLWWCESA-N 2 0 333.545 3.493 10 0 EGAERP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000423501903 458444596 /nfs/dbraw/zinc/44/45/96/458444596.db2.gz DKNMDXIXRATBAF-RJYAGPCLSA-N 2 0 337.458 3.222 10 0 EGAERP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1F ZINC000423508126 458446324 /nfs/dbraw/zinc/44/63/24/458446324.db2.gz KNGCPGHRNLKLKC-LADRWXRNSA-N 2 0 337.458 3.222 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C(C)(C)c1ccccc1 ZINC000423512735 458447708 /nfs/dbraw/zinc/44/77/08/458447708.db2.gz PCSAJDARRVNNOP-QHGAOEGBSA-N 2 0 329.532 3.159 10 0 EGAERP c1ccc([C@@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423513745 458448074 /nfs/dbraw/zinc/44/80/74/458448074.db2.gz SARQYXWSAXAMDZ-OSIBBQKWSA-N 2 0 327.516 3.129 10 0 EGAERP Fc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423526606 458451091 /nfs/dbraw/zinc/45/10/91/458451091.db2.gz ZPHWWYGOBVWGIM-AFMYVXGZSA-N 2 0 331.479 3.009 10 0 EGAERP Clc1ccc2c(c1)CC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523352 458451504 /nfs/dbraw/zinc/45/15/04/458451504.db2.gz VSACTYQCSGCRHM-TVPLGVNVSA-N 2 0 333.907 3.133 10 0 EGAERP C[C@H]([C@H](C)O)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020406 458516329 /nfs/dbraw/zinc/51/63/29/458516329.db2.gz PGMWQEUQLQLUHK-UWVAXJGDSA-N 2 0 330.516 3.378 10 0 EGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000431612325 458595946 /nfs/dbraw/zinc/59/59/46/458595946.db2.gz WXHKDUUGNPXBII-HXUWFJFHSA-N 2 0 345.531 3.409 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000431784219 458624104 /nfs/dbraw/zinc/62/41/04/458624104.db2.gz LOGYTEWDSRMWOU-IAGOWNOFSA-N 2 0 335.492 3.043 10 0 EGAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000530224834 458722917 /nfs/dbraw/zinc/72/29/17/458722917.db2.gz MNQCZWQTLSJSKO-XZJROXQQSA-N 2 0 330.303 3.326 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@@H]2CCOC2)C1 ZINC000464058939 458729978 /nfs/dbraw/zinc/72/99/78/458729978.db2.gz MMUIZNUTWCZENI-MISYRCLQSA-N 2 0 346.515 3.312 10 0 EGAERP CCc1cccc(Cl)c1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530248165 458730844 /nfs/dbraw/zinc/73/08/44/458730844.db2.gz HPNSFBFCFVVHNN-QGZVFWFLSA-N 2 0 336.907 3.493 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000494884461 458761321 /nfs/dbraw/zinc/76/13/21/458761321.db2.gz ARQRSIILPVUWHM-LPHOPBHVSA-N 2 0 343.515 3.208 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+]([C@@H](C)CCc2cccc(F)c2)CC1 ZINC000475617886 458955186 /nfs/dbraw/zinc/95/51/86/458955186.db2.gz SSNSTNMQQUIUMN-INIZCTEOSA-N 2 0 343.446 3.373 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)C2)c1 ZINC000556868557 459024753 /nfs/dbraw/zinc/02/47/53/459024753.db2.gz YYDTZGBYMHYSGQ-ZXNZYJFHSA-N 2 0 343.515 3.126 10 0 EGAERP CCC(C)(C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000476979385 459024945 /nfs/dbraw/zinc/02/49/45/459024945.db2.gz DZOALJUWUZPVDX-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(C)(C)NC(=O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000476979386 459025930 /nfs/dbraw/zinc/02/59/30/459025930.db2.gz DZOALJUWUZPVDX-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000568248484 459256390 /nfs/dbraw/zinc/25/63/90/459256390.db2.gz SJJJSBBKWOXBRO-GYSYKLTISA-N 2 0 325.250 3.132 10 0 EGAERP COC(=O)c1ccc(Cl)c(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1 ZINC000482232656 459297474 /nfs/dbraw/zinc/29/74/74/459297474.db2.gz BNGRCUDYLBYPRB-UHFFFAOYSA-N 2 0 338.879 3.337 10 0 EGAERP c1cn(CCCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000582062052 459301083 /nfs/dbraw/zinc/30/10/83/459301083.db2.gz NKBKHZHDQGSSJS-FQEVSTJZSA-N 2 0 338.499 3.450 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000482557420 459313417 /nfs/dbraw/zinc/31/34/17/459313417.db2.gz KUFYUQYGMSVEAY-RXVVDRJESA-N 2 0 329.532 3.361 10 0 EGAERP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn(C)c2c1 ZINC000569132001 459402308 /nfs/dbraw/zinc/40/23/08/459402308.db2.gz NGOMCLPUOHOLOW-VAMGGRTRSA-N 2 0 325.500 3.492 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCCCC1 ZINC000541542904 459464938 /nfs/dbraw/zinc/46/49/38/459464938.db2.gz IAUCXPKCYUAVJN-QGZVFWFLSA-N 2 0 345.531 3.427 10 0 EGAERP Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583198062 459499859 /nfs/dbraw/zinc/49/98/59/459499859.db2.gz CUSOKNPIYPHNCW-BBTUJRGHSA-N 2 0 336.435 3.225 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]C2(c3cccc(C)c3)CCC2)CC[NH2+]CC1 ZINC000592470712 459608903 /nfs/dbraw/zinc/60/89/03/459608903.db2.gz DYTXTOLMRLHPOY-KRWDZBQOSA-N 2 0 344.499 3.285 10 0 EGAERP CCn1c2ccccc2nc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000583962495 459625418 /nfs/dbraw/zinc/62/54/18/459625418.db2.gz UTWAHLSTLWLRCQ-QGZVFWFLSA-N 2 0 326.488 3.220 10 0 EGAERP CC[NH+]1CCC(NCc2ccc(Br)c(F)c2F)CC1 ZINC000527630456 459677916 /nfs/dbraw/zinc/67/79/16/459677916.db2.gz AETFFEXGBYPAHR-UHFFFAOYSA-N 2 0 333.220 3.301 10 0 EGAERP Cc1ccc(OC[C@@H](O)C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000562987345 459686745 /nfs/dbraw/zinc/68/67/45/459686745.db2.gz HKJQYKQPWJZJJC-ZCNNSNEGSA-N 2 0 348.531 3.082 10 0 EGAERP COc1ccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000527988290 459788938 /nfs/dbraw/zinc/78/89/38/459788938.db2.gz CVSQUFQPIGUELV-FXAWDEMLSA-N 2 0 339.483 3.133 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000575046066 459914929 /nfs/dbraw/zinc/91/49/29/459914929.db2.gz ADGFESLTPNGIED-OAQYLSRUSA-N 2 0 329.532 3.220 10 0 EGAERP CCOC(=O)c1cccc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)n1 ZINC000600124049 460392731 /nfs/dbraw/zinc/39/27/31/460392731.db2.gz NWWAYZAAJZCVIX-IAGOWNOFSA-N 2 0 347.503 3.106 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cccnc3c2)[C@@H](C)C1 ZINC000604418240 460424775 /nfs/dbraw/zinc/42/47/75/460424775.db2.gz NKEDSBHNQSONHD-PXNSSMCTSA-N 2 0 341.499 3.461 10 0 EGAERP CCC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631565731 460445489 /nfs/dbraw/zinc/44/54/89/460445489.db2.gz LGHZNSIKVFPJKY-QUCCMNQESA-N 2 0 332.536 3.093 10 0 EGAERP CCC[C@@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631565252 460445554 /nfs/dbraw/zinc/44/55/54/460445554.db2.gz DNCXARMVAZNPML-LJQANCHMSA-N 2 0 332.536 3.239 10 0 EGAERP CCC[C@H]([NH2+]CCCCN1CC[NH+](CC)CC1)c1cc(C)ccn1 ZINC000631565247 460446132 /nfs/dbraw/zinc/44/61/32/460446132.db2.gz DNCXARMVAZNPML-IBGZPJMESA-N 2 0 332.536 3.239 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355039 460507080 /nfs/dbraw/zinc/50/70/80/460507080.db2.gz VOXFURYLDZCXDM-UXHICEINSA-N 2 0 331.548 3.402 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623362797 460511303 /nfs/dbraw/zinc/51/13/03/460511303.db2.gz LFSIEPIUIZTRFB-IBGZPJMESA-N 2 0 333.495 3.253 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623383178 460520341 /nfs/dbraw/zinc/52/03/41/460520341.db2.gz HPGOFXDXFPWMSW-WOJBJXKFSA-N 3 0 329.532 3.361 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)[C@H](C)C1 ZINC000631698890 460521254 /nfs/dbraw/zinc/52/12/54/460521254.db2.gz DYPAKVFXIWDGBX-QBFPWWHVSA-N 2 0 349.316 3.407 10 0 EGAERP O[C@H]1CCN(CC[NH2+]Cc2ccc(-c3ccccc3)c(Cl)c2)C1 ZINC000623838196 460737043 /nfs/dbraw/zinc/73/70/43/460737043.db2.gz KAWMRVJMEBQACQ-KRWDZBQOSA-N 2 0 330.859 3.163 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623875127 460756567 /nfs/dbraw/zinc/75/65/67/460756567.db2.gz YNSXLPSWUVHHBC-PZJWPPBQSA-N 2 0 345.531 3.136 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1cc2cc(Br)ccc2o1 ZINC000629529474 460797401 /nfs/dbraw/zinc/79/74/01/460797401.db2.gz DLSGMZDVEYNNHO-LLVKDONJSA-N 2 0 341.249 3.082 10 0 EGAERP Cc1ccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1NC(=O)CC[NH+](C)C ZINC000623961755 460799547 /nfs/dbraw/zinc/79/95/47/460799547.db2.gz MYWPLLJPHBNNAH-KRWDZBQOSA-N 2 0 346.519 3.170 10 0 EGAERP COc1ccc(-c2nc(C)c([C@@H](C)[NH2+]CCOCCC[NH3+])s2)cc1 ZINC000629542348 460800442 /nfs/dbraw/zinc/80/04/42/460800442.db2.gz YNLPSFJLGFSSEE-CYBMUJFWSA-N 2 0 349.500 3.143 10 0 EGAERP FC(F)(F)c1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662251147 461145823 /nfs/dbraw/zinc/14/58/23/461145823.db2.gz ZZUWDNSERLMINZ-MRXNPFEDSA-N 2 0 340.389 3.191 10 0 EGAERP Fc1cccc(F)c1C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662258957 461147936 /nfs/dbraw/zinc/14/79/36/461147936.db2.gz ZFZUEPYHOLFUJE-OAHLLOKOSA-N 2 0 336.426 3.230 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662259751 461148291 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IVNXPUSAPDFWIS-XQVPTLPVSA-N 2 0 328.500 3.443 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633889952 461316961 /nfs/dbraw/zinc/31/69/61/461316961.db2.gz WWXXMAUSSQQHAP-FQEVSTJZSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646694123 461373455 /nfs/dbraw/zinc/37/34/55/461373455.db2.gz ZHTKOXZVHDIFMY-MOPGFXCFSA-N 2 0 331.504 3.191 10 0 EGAERP C[NH2+]Cc1ccccc1CNC(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000653214809 461566762 /nfs/dbraw/zinc/56/67/62/461566762.db2.gz BXRDLEPFJVLDAP-IBGZPJMESA-N 2 0 331.504 3.100 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000631195126 461634510 /nfs/dbraw/zinc/63/45/10/461634510.db2.gz TTZRGJLGQFXWAO-YZGWKJHDSA-N 2 0 329.532 3.217 10 0 EGAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631223268 461653565 /nfs/dbraw/zinc/65/35/65/461653565.db2.gz ZOUSIVOGWNNYIJ-ILMPWQCYSA-N 2 0 347.300 3.304 10 0 EGAERP 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CCc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000664659289 462142214 /nfs/dbraw/zinc/14/22/14/462142214.db2.gz WMYVNWSHYHVKPG-QGZVFWFLSA-N 2 0 327.472 3.344 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000657532799 462168949 /nfs/dbraw/zinc/16/89/49/462168949.db2.gz MIJYVASGEWXPRW-SFHVURJKSA-N 2 0 339.483 3.450 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)C1 ZINC000657594855 462196166 /nfs/dbraw/zinc/19/61/66/462196166.db2.gz DOWQKHWEDJKKRD-FQEVSTJZSA-N 2 0 335.451 3.024 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3sccc3Cl)cc2)C1 ZINC000657595686 462196216 /nfs/dbraw/zinc/19/62/16/462196216.db2.gz JHQNJAJBKJISTF-HNNXBMFYSA-N 2 0 336.888 3.258 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3coc4ccccc34)cc2)C1 ZINC000657594875 462196792 /nfs/dbraw/zinc/19/67/92/462196792.db2.gz DZOIUNRGINJSGJ-IBGZPJMESA-N 2 0 336.435 3.289 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccc1F ZINC000657596452 462197444 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LBMKQRKXUSGCRU-FUHWJXTLSA-N 2 0 340.552 3.307 10 0 EGAERP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](CCC[NH3+])COC ZINC000665283327 462383039 /nfs/dbraw/zinc/38/30/39/462383039.db2.gz LORQGFZZBHTTRK-HZPDHXFCSA-N 2 0 343.309 3.114 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103309 462385490 /nfs/dbraw/zinc/38/54/90/462385490.db2.gz USSYWJBYEMOOOW-GWFLUQINSA-N 2 0 339.487 3.317 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCCc3ccccc32)CC1 ZINC000665287659 462386234 /nfs/dbraw/zinc/38/62/34/462386234.db2.gz QYPFKGTUYJMCEK-FQEVSTJZSA-N 2 0 343.515 3.034 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC3(CCCCC3)CC2)CC1 ZINC000665289770 462387287 /nfs/dbraw/zinc/38/72/87/462387287.db2.gz WVHUPAHAVZPDBS-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP COc1cccc2cc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)oc21 ZINC000658107762 462387776 /nfs/dbraw/zinc/38/77/76/462387776.db2.gz OLKVMZICRGSPTJ-JKSUJKDBSA-N 2 0 347.503 3.364 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658135845 462399631 /nfs/dbraw/zinc/39/96/31/462399631.db2.gz BDZPQHQYDOSRBG-KBXCAEBGSA-N 2 0 346.421 3.382 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccncc1Cl ZINC000658134426 462399812 /nfs/dbraw/zinc/39/98/12/462399812.db2.gz AAIFYGSTVAZAKJ-YOEHRIQHSA-N 2 0 345.874 3.152 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143233 462406755 /nfs/dbraw/zinc/40/67/55/462406755.db2.gz GKJGOBBEVMLRBM-QRWLVFNGSA-N 2 0 328.431 3.243 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@H](O)C23CCC3)CC1 ZINC000658254090 462444303 /nfs/dbraw/zinc/44/43/03/462444303.db2.gz XXLDNNVHBLVTQV-TUNPWDSISA-N 2 0 328.500 3.323 10 0 EGAERP CCC[N@@H+]1CC[C@@H](NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000658284871 462455781 /nfs/dbraw/zinc/45/57/81/462455781.db2.gz HJQGFFFHNVXMDG-GHTZIAJQSA-N 2 0 329.532 3.156 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000351597263 536356741 /nfs/dbraw/zinc/35/67/41/536356741.db2.gz KDDFDTVTFPSXQU-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1)C1CC[NH+](C)CC1 ZINC000165014672 546984361 /nfs/dbraw/zinc/98/43/61/546984361.db2.gz XNKDSJXIXQALPX-IEZWGBDMSA-N 2 0 335.561 3.451 10 0 EGAERP COc1cccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1F ZINC000192948109 547208324 /nfs/dbraw/zinc/20/83/24/547208324.db2.gz MDJDQXOGRWIVIL-OAHLLOKOSA-N 2 0 329.419 3.472 10 0 EGAERP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000398128595 547836610 /nfs/dbraw/zinc/83/66/10/547836610.db2.gz ITIMEDMAGBSDDD-OJAHFUOMSA-N 2 0 328.500 3.444 10 0 EGAERP OCC[C@@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000671309678 548276563 /nfs/dbraw/zinc/27/65/63/548276563.db2.gz ZMMCQVXYGKOHER-FQEVSTJZSA-N 2 0 346.515 3.288 10 0 EGAERP C[C@](O)(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000730080723 574921340 /nfs/dbraw/zinc/92/13/40/574921340.db2.gz IOFLVOQJHWALRC-CTNGQTDRSA-N 2 0 330.516 3.482 10 0 EGAERP C[C@H]1CCN(Cc2c[nH]c3ccc(Br)cc23)C[C@@H]1C[NH3+] ZINC000163485449 1294334530 /nfs/dbraw/zinc/33/45/30/1294334530.db2.gz JFTVLFQJFMJCMS-RYUDHWBXSA-N 2 0 336.277 3.347 10 0 EGAERP COc1ccc([C@@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1C[NH+]1CCCCC1 ZINC000183295199 1295109860 /nfs/dbraw/zinc/10/98/60/1295109860.db2.gz BGRRRQYCDKIACZ-MNEFBYGVSA-N 2 0 332.488 3.245 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC000872068559 1296715166 /nfs/dbraw/zinc/71/51/66/1296715166.db2.gz IBUFRXIBSVIUJT-NQIIRXRSSA-N 2 0 346.515 3.454 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000872155228 1296774010 /nfs/dbraw/zinc/77/40/10/1296774010.db2.gz OPTRSPPUOIZFGU-HUUCEWRRSA-N 2 0 339.911 3.357 10 0 EGAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1)C1CCCC1 ZINC000872156195 1296777884 /nfs/dbraw/zinc/77/78/84/1296777884.db2.gz GCQLXPOTCPNKCH-QFBILLFUSA-N 2 0 335.536 3.055 10 0 EGAERP CN(C(=O)OC(C)(C)C)C1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000310049610 1297084203 /nfs/dbraw/zinc/08/42/03/1297084203.db2.gz FVOLFKIDCOOWBE-UHFFFAOYSA-N 2 0 339.524 3.096 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378951823 1297529393 /nfs/dbraw/zinc/52/93/93/1297529393.db2.gz PYZHOOYTUWZXCH-INIZCTEOSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@@H]1C[C@H]([NH+]2CCC([C@H]3CCC[NH2+]3)CC2)CN1Cc1ccccc1 ZINC000383805449 1297573964 /nfs/dbraw/zinc/57/39/64/1297573964.db2.gz OQLCFKCPFLWXNB-JRGCBEDISA-N 2 0 327.516 3.113 10 0 EGAERP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000398079054 1297713514 /nfs/dbraw/zinc/71/35/14/1297713514.db2.gz GKGCCIAICJAQGG-GHTZIAJQSA-N 2 0 329.532 3.359 10 0 EGAERP C[N@@H+](Cc1cc(Br)cs1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699292526 1298169137 /nfs/dbraw/zinc/16/91/37/1298169137.db2.gz WBROLNLKMXGCKN-VGPLMAKISA-N 2 0 329.307 3.473 10 0 EGAERP C[C@@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000925780789 1325298729 /nfs/dbraw/zinc/29/87/29/1325298729.db2.gz GVBFLNZTSVQCCM-PSASIEDQSA-N 2 0 338.229 3.471 10 0 EGAERP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886620959 1303527571 /nfs/dbraw/zinc/52/75/71/1303527571.db2.gz XLNFYXTXOZKKIY-ZPAWYTMASA-N 2 0 328.500 3.180 10 0 EGAERP c1cn2cc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)sc2n1 ZINC000891920574 1305209596 /nfs/dbraw/zinc/20/95/96/1305209596.db2.gz HCNGQKTUPZPKED-MRXNPFEDSA-N 2 0 332.517 3.484 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cnc(Cl)s2)cc1 ZINC000895155711 1309215265 /nfs/dbraw/zinc/21/52/65/1309215265.db2.gz MKXRSDYZKYVVOR-UHFFFAOYSA-N 2 0 325.865 3.027 10 0 EGAERP c1ccc2c(c1)CC[C@H]2C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000895308484 1309277894 /nfs/dbraw/zinc/27/78/94/1309277894.db2.gz JTQNOPZYRNYULB-IBGZPJMESA-N 2 0 328.500 3.197 10 0 EGAERP CC(C)C[N@@H+](Cc1ccc2oc(=O)oc2c1)CC1CC[NH+](C)CC1 ZINC000895465361 1309351966 /nfs/dbraw/zinc/35/19/66/1309351966.db2.gz BYDRLSNPKHACKZ-UHFFFAOYSA-N 2 0 332.444 3.186 10 0 EGAERP C[C@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CCN1c1cc[nH+]cc1 ZINC000895555737 1309398951 /nfs/dbraw/zinc/39/89/51/1309398951.db2.gz BXGQGAVMIOSRJN-HNNXBMFYSA-N 2 0 339.468 3.040 10 0 EGAERP c1ccc(C2([NH+]3CCCC3)CCN(CC3=CCCOC3)CC2)cc1 ZINC000897572315 1310386411 /nfs/dbraw/zinc/38/64/11/1310386411.db2.gz TUTODWUSQNPMCP-UHFFFAOYSA-N 2 0 326.484 3.420 10 0 EGAERP CC[NH+](CC)CC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000899672168 1317128630 /nfs/dbraw/zinc/12/86/30/1317128630.db2.gz SDFHEVDTWLUPCN-UHFFFAOYSA-N 2 0 331.382 3.047 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858131568 1328690601 /nfs/dbraw/zinc/69/06/01/1328690601.db2.gz ZKRRBEOQJIOAAT-JKSUJKDBSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CN1C(=O)OC(C)(C)C ZINC000858284655 1328729469 /nfs/dbraw/zinc/72/94/69/1328729469.db2.gz MUNSJHKTPXYVIG-PMPSAXMXSA-N 2 0 339.524 3.237 10 0 EGAERP CSCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000921858260 1322413183 /nfs/dbraw/zinc/41/31/83/1322413183.db2.gz CJWPIMFTGRJMIZ-UXHICEINSA-N 2 0 348.556 3.407 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000921960882 1322430686 /nfs/dbraw/zinc/43/06/86/1322430686.db2.gz LBWISTMAPSJBSS-GUDVDZBRSA-N 2 0 329.488 3.093 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000923026879 1322678262 /nfs/dbraw/zinc/67/82/62/1322678262.db2.gz CZVHGKQMVQTCDB-HXUWFJFHSA-N 2 0 344.499 3.353 10 0 EGAERP c1ccc([C@@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)Cc3ccccc32)cc1 ZINC000923301842 1322728705 /nfs/dbraw/zinc/72/87/05/1322728705.db2.gz YUNVOPYLBNXGAD-FPOVZHCZSA-N 2 0 334.463 3.013 10 0 EGAERP CC(=O)c1ccc2c(c1)CC[N@@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923374308 1322742053 /nfs/dbraw/zinc/74/20/53/1322742053.db2.gz VHLOVMDRJNJOFC-QKUVIELKSA-N 2 0 326.484 3.211 10 0 EGAERP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451851 1322753919 /nfs/dbraw/zinc/75/39/19/1322753919.db2.gz PYGUPEFUCQPLFB-HNNXBMFYSA-N 2 0 347.484 3.041 10 0 EGAERP C[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923494465 1322762021 /nfs/dbraw/zinc/76/20/21/1322762021.db2.gz XVNXFSJGLGXONW-PWXKEOIMSA-N 2 0 342.405 3.085 10 0 EGAERP C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502462 1322763442 /nfs/dbraw/zinc/76/34/42/1322763442.db2.gz ZHSKRBRDLSJYBT-NWDGAFQWSA-N 2 0 344.286 3.239 10 0 EGAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502289 1322763816 /nfs/dbraw/zinc/76/38/16/1322763816.db2.gz YPHRRILHAKFMAQ-VXGBXAGGSA-N 2 0 344.286 3.239 10 0 EGAERP C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923501298 1322764024 /nfs/dbraw/zinc/76/40/24/1322764024.db2.gz PZYGXHHAFQGMJZ-JSGCOSHPSA-N 2 0 348.288 3.414 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552327 1322775282 /nfs/dbraw/zinc/77/52/82/1322775282.db2.gz VVPPVQYQYSRWJS-RDJZCZTQSA-N 2 0 345.512 3.067 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CC3(C2)CO[C@@H](C)C3)cc1 ZINC000924691143 1323115200 /nfs/dbraw/zinc/11/52/00/1323115200.db2.gz CFOWZTGFKVAFER-OCDPCBSRSA-N 2 0 346.515 3.454 10 0 EGAERP C[N@@H+]1CCC[C@H]1CNC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000924791901 1323164263 /nfs/dbraw/zinc/16/42/63/1323164263.db2.gz RXCWPCMPFTVOFC-VTHDOGFWSA-N 2 0 327.516 3.256 10 0 EGAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938364 1323221842 /nfs/dbraw/zinc/22/18/42/1323221842.db2.gz KYBNENUFXDWPSD-NJYVYQBISA-N 2 0 332.532 3.470 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000924960759 1323228408 /nfs/dbraw/zinc/22/84/08/1323228408.db2.gz RVYAZHUOEFZCNC-CMKODMSKSA-N 2 0 332.536 3.150 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)cc2)CC1 ZINC000924972226 1323234118 /nfs/dbraw/zinc/23/41/18/1323234118.db2.gz XSLNPLQPWOJLBM-CTXDPNEZSA-N 2 0 346.540 3.160 10 0 EGAERP C[NH+](C)C1(C)CC[NH+](CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000931352163 1329100560 /nfs/dbraw/zinc/10/05/60/1329100560.db2.gz FHEIITSPKCKAPS-UHFFFAOYSA-N 2 0 341.540 3.488 10 0 EGAERP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000931466204 1329125481 /nfs/dbraw/zinc/12/54/81/1329125481.db2.gz VMCQPWMMEJFGJV-ZWKOTPCHSA-N 2 0 336.520 3.306 10 0 EGAERP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(O)cc(F)c1 ZINC000925300138 1325117262 /nfs/dbraw/zinc/11/72/62/1325117262.db2.gz HKPLNRWERMRLAF-AWEZNQCLSA-N 2 0 329.419 3.494 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1OC ZINC000925476435 1325167805 /nfs/dbraw/zinc/16/78/05/1325167805.db2.gz BZFPCEWYCAIISU-QZTJIDSGSA-N 2 0 332.488 3.004 10 0 EGAERP COc1ccccc1[C@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925483754 1325170334 /nfs/dbraw/zinc/17/03/34/1325170334.db2.gz YBVIRZAXBLSUOU-ICSRJNTNSA-N 2 0 343.515 3.096 10 0 EGAERP COc1ccc([C@@H](CN[C@H]2CC[NH2+]C23CCCC3)[NH+]2CCCC2)cc1 ZINC000925509313 1325182986 /nfs/dbraw/zinc/18/29/86/1325182986.db2.gz LPBRAEARUINMEE-UXHICEINSA-N 2 0 343.515 3.096 10 0 EGAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535626 1325196913 /nfs/dbraw/zinc/19/69/13/1325196913.db2.gz ZVSFNFIADXDNKR-UGFHNGPFSA-N 2 0 339.277 3.076 10 0 EGAERP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925539711 1325199385 /nfs/dbraw/zinc/19/93/85/1325199385.db2.gz CTQFJIUTJMGSAS-ZACQAIPSSA-N 2 0 331.504 3.017 10 0 EGAERP CC1(C)[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925544409 1325200125 /nfs/dbraw/zinc/20/01/25/1325200125.db2.gz QYVRVTIIJQGBQH-HKBOAZHASA-N 2 0 341.543 3.060 10 0 EGAERP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925561620 1325210644 /nfs/dbraw/zinc/21/06/44/1325210644.db2.gz KZFGQOLTXQVRJW-WBAXXEDZSA-N 2 0 331.504 3.211 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)CC2)CC1 ZINC000925607089 1325229319 /nfs/dbraw/zinc/22/93/19/1325229319.db2.gz NIQLTYASPRMHTP-PBDJWPIDSA-N 3 0 333.564 3.396 10 0 EGAERP CCn1nc(C)c([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000925610159 1325229624 /nfs/dbraw/zinc/22/96/24/1325229624.db2.gz ZCXHOVQRHIDYAE-ZLPCBKJTSA-N 2 0 333.524 3.300 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1F ZINC000925618914 1325232678 /nfs/dbraw/zinc/23/26/78/1325232678.db2.gz KOCJGJOLUCBERZ-BKBUGSPTSA-N 2 0 326.431 3.272 10 0 EGAERP C[C@H](Cc1cc(Br)ccc1F)[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925625179 1325236373 /nfs/dbraw/zinc/23/63/73/1325236373.db2.gz GLWWFINAGSXLRQ-KMUNFCNLSA-N 2 0 341.268 3.379 10 0 EGAERP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000925627463 1325237394 /nfs/dbraw/zinc/23/73/94/1325237394.db2.gz ACRUSCVEXISMLC-DNVCBOLYSA-N 2 0 332.488 3.147 10 0 EGAERP C[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nc(-c2ccccc2)no1 ZINC000925630290 1325240006 /nfs/dbraw/zinc/24/00/06/1325240006.db2.gz QNLYLBZHBCJSSA-SIXLDLHFSA-N 2 0 340.471 3.206 10 0 EGAERP 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ZINC000925813617 1325312003 /nfs/dbraw/zinc/31/20/03/1325312003.db2.gz XSAPISIUCLFWEH-UHFFFAOYSA-N 2 0 345.437 3.067 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3c4ccccc4sc32)CC1 ZINC000925815570 1325314235 /nfs/dbraw/zinc/31/42/35/1325314235.db2.gz RMPHLAQRPZEDFN-QGZVFWFLSA-N 2 0 329.513 3.291 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842049 1325324080 /nfs/dbraw/zinc/32/40/80/1325324080.db2.gz XBDOGQYRKAILHM-RCLSDMTESA-N 2 0 342.483 3.290 10 0 EGAERP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925847011 1325327589 /nfs/dbraw/zinc/32/75/89/1325327589.db2.gz ZFJYNFITJHAEPY-VQTJNVASSA-N 2 0 333.495 3.127 10 0 EGAERP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851158 1325330780 /nfs/dbraw/zinc/33/07/80/1325330780.db2.gz MMWJTVOEQXKZQS-OALUTQOASA-N 2 0 344.499 3.063 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(C)(C)C)cc1 ZINC000925853310 1325331716 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ZXWSZNCEKRNZJJ-RBUKOAKNSA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001277537522 1378233292 /nfs/dbraw/zinc/23/32/92/1378233292.db2.gz GGEYMTWZUZQBON-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001281684224 1378449244 /nfs/dbraw/zinc/44/92/44/1378449244.db2.gz JOUNYCUIRUULOF-AZUAARDMSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281941251 1378460501 /nfs/dbraw/zinc/46/05/01/1378460501.db2.gz GXFHJEIIQSPPTR-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001327532410 1388553101 /nfs/dbraw/zinc/55/31/01/1388553101.db2.gz XKKAUYQOWQKEOV-OAQYLSRUSA-N 2 0 349.563 3.366 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001282129996 1378478707 /nfs/dbraw/zinc/47/87/07/1378478707.db2.gz VRLZACZURQMEOL-ZWKOTPCHSA-N 2 0 345.531 3.242 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001282167578 1378482789 /nfs/dbraw/zinc/48/27/89/1378482789.db2.gz MHNXBWSBZPLWAO-DLBZAZTESA-N 2 0 345.531 3.106 10 0 EGAERP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001282213770 1378487625 /nfs/dbraw/zinc/48/76/25/1378487625.db2.gz GMSKQDFDDREVEN-IRXDYDNUSA-N 2 0 347.547 3.092 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282653845 1378525485 /nfs/dbraw/zinc/52/54/85/1378525485.db2.gz USKKVRUQEDMEGT-UXHICEINSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283172352 1378752483 /nfs/dbraw/zinc/75/24/83/1378752483.db2.gz BJNAWVZHCWESDO-PXNSSMCTSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001283186984 1378756223 /nfs/dbraw/zinc/75/62/23/1378756223.db2.gz RLCXEJFELJRVOI-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001283316669 1378800916 /nfs/dbraw/zinc/80/09/16/1378800916.db2.gz COJPQEZGLUJYAK-UHFFFAOYSA-N 2 0 342.487 3.369 10 0 EGAERP CC[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC001327681369 1388578760 /nfs/dbraw/zinc/57/87/60/1388578760.db2.gz ZBZZJINAPQOZOR-HNAYVOBHSA-N 2 0 330.472 3.172 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC(C)(C)C ZINC001283450027 1378945998 /nfs/dbraw/zinc/94/59/98/1378945998.db2.gz UDITZDDGBSGPAV-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)C)C2)[NH+](C)C ZINC001327684953 1388580732 /nfs/dbraw/zinc/58/07/32/1388580732.db2.gz KARKABYRLJEIDX-LJQANCHMSA-N 2 0 331.504 3.005 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001283624167 1379061875 /nfs/dbraw/zinc/06/18/75/1379061875.db2.gz ZJEUBHSRSKWCPX-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCC1 ZINC001283632114 1379067650 /nfs/dbraw/zinc/06/76/50/1379067650.db2.gz ZSURWDLWBYDWKI-MRXNPFEDSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001283655258 1379087046 /nfs/dbraw/zinc/08/70/46/1379087046.db2.gz WFCFLFFCMIIZCM-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCCC[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283678054 1379106750 /nfs/dbraw/zinc/10/67/50/1379106750.db2.gz LMCKPMFRGSWVHL-APWZRJJASA-N 2 0 343.531 3.216 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001283720236 1379141285 /nfs/dbraw/zinc/14/12/85/1379141285.db2.gz ARJJSTBEIRSXBU-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001283913523 1379264030 /nfs/dbraw/zinc/26/40/30/1379264030.db2.gz NPIPLMHPVRTGFX-YLJYHZDGSA-N 2 0 345.531 3.029 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H]1C ZINC001283914154 1379264313 /nfs/dbraw/zinc/26/43/13/1379264313.db2.gz WTZQKBYCPFLWBV-YLJYHZDGSA-N 2 0 345.531 3.377 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCC1)CC2 ZINC001284072785 1379438382 /nfs/dbraw/zinc/43/83/82/1379438382.db2.gz VWVKZEYUHNKFQW-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001284149889 1379544572 /nfs/dbraw/zinc/54/45/72/1379544572.db2.gz ZNWNBOHLDGTFJR-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001284210007 1379599531 /nfs/dbraw/zinc/59/95/31/1379599531.db2.gz LGPUOQHENYEYCQ-ICSRJNTNSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC001151359502 1379704809 /nfs/dbraw/zinc/70/48/09/1379704809.db2.gz NZQOLTXSVJFWEO-VQTJNVASSA-N 2 0 345.531 3.134 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284349867 1379748725 /nfs/dbraw/zinc/74/87/25/1379748725.db2.gz QZLFVDQYZPAJHH-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553650 1379962000 /nfs/dbraw/zinc/96/20/00/1379962000.db2.gz RWKJODHPPHYGFO-RBUKOAKNSA-N 2 0 339.568 3.322 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001284553836 1379962384 /nfs/dbraw/zinc/96/23/84/1379962384.db2.gz UGCPLPWOGHPLDY-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)C[NH+]2CCCC2)C(C)C)c(C)c1 ZINC001284559801 1379969445 /nfs/dbraw/zinc/96/94/45/1379969445.db2.gz ZHANSNOPSQPQNQ-UHFFFAOYSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001327995777 1388640815 /nfs/dbraw/zinc/64/08/15/1388640815.db2.gz NZQRLDQZJILMRX-ROUUACIJSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001284652986 1380067727 /nfs/dbraw/zinc/06/77/27/1380067727.db2.gz OJQOGLXUOMUGOT-SFHVURJKSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284719123 1380137966 /nfs/dbraw/zinc/13/79/66/1380137966.db2.gz JLPKJWHDEJOVAU-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001284722759 1380143281 /nfs/dbraw/zinc/14/32/81/1380143281.db2.gz CIADPRLQGZQZMQ-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(F)cc2)CC1 ZINC001328048317 1388653405 /nfs/dbraw/zinc/65/34/05/1388653405.db2.gz DYQIDEUOAAQIAK-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)C[NH+]1CCC(C2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001284846593 1380269129 /nfs/dbraw/zinc/26/91/29/1380269129.db2.gz QWIUJIOOMOIBSX-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](C(C)C)CC1(C)C)c1ccccc1 ZINC001328099358 1388670668 /nfs/dbraw/zinc/67/06/68/1388670668.db2.gz UMGDQMBWQJIKHZ-OALUTQOASA-N 2 0 345.531 3.305 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001328254022 1388699415 /nfs/dbraw/zinc/69/94/15/1388699415.db2.gz DEOZOGUCDITHDL-VUOWKATKSA-N 2 0 335.536 3.186 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001328577438 1388779833 /nfs/dbraw/zinc/77/98/33/1388779833.db2.gz GNDUIGYLRNMBTO-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001328620369 1388790641 /nfs/dbraw/zinc/79/06/41/1388790641.db2.gz IPMMUDZXGYNRNN-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001328752267 1388843879 /nfs/dbraw/zinc/84/38/79/1388843879.db2.gz HDBQXZIKVXQENG-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808631 1388873833 /nfs/dbraw/zinc/87/38/33/1388873833.db2.gz PTZVCEKXXHGJFL-KJBZUCPPSA-N 2 0 349.563 3.245 10 0 EGAERP COC(=O)C12CCC(CC1)N2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001308000183 1384072069 /nfs/dbraw/zinc/07/20/69/1384072069.db2.gz SFDFXKLWSMVHDI-UHFFFAOYSA-N 2 0 342.483 3.343 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001316600038 1384466601 /nfs/dbraw/zinc/46/66/01/1384466601.db2.gz YUOGQIUQTYYIDU-AZUAARDMSA-N 2 0 345.531 3.183 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001316659623 1384509274 /nfs/dbraw/zinc/50/92/74/1384509274.db2.gz BEROKNWTGHSLQA-RBUKOAKNSA-N 2 0 349.563 3.339 10 0 EGAERP CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001316721131 1384540851 /nfs/dbraw/zinc/54/08/51/1384540851.db2.gz LUORLUNXJRRBPH-FGTMMUONSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CC2CCC2)C1 ZINC001316770953 1384569387 /nfs/dbraw/zinc/56/93/87/1384569387.db2.gz QFAPXVYANCOWNI-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316772159 1384570534 /nfs/dbraw/zinc/57/05/34/1384570534.db2.gz IHAJMVIKUKQDEK-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001316803482 1384592302 /nfs/dbraw/zinc/59/23/02/1384592302.db2.gz KQRYNBFVPDRYEJ-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC(C)C)C1 ZINC001316804693 1384595125 /nfs/dbraw/zinc/59/51/25/1384595125.db2.gz UYHNFYANUQZYNQ-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001316933397 1384704449 /nfs/dbraw/zinc/70/44/49/1384704449.db2.gz JXVFNBYLVVPCDB-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001316999237 1384756321 /nfs/dbraw/zinc/75/63/21/1384756321.db2.gz UPJMRCRZKZVWOE-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3CC3)CC[C@@H]21 ZINC001317103154 1384866947 /nfs/dbraw/zinc/86/69/47/1384866947.db2.gz DMXSTZIUJQOEQT-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317102950 1384867011 /nfs/dbraw/zinc/86/70/11/1384867011.db2.gz CSZOYFUXPOBLFW-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001317103953 1384867463 /nfs/dbraw/zinc/86/74/63/1384867463.db2.gz HRLJPGBGBMEZIR-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001317164639 1384927876 /nfs/dbraw/zinc/92/78/76/1384927876.db2.gz ZGVCXRRVYRZHQF-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317171487 1384938584 /nfs/dbraw/zinc/93/85/84/1384938584.db2.gz BHTTZKCYXMBHJX-QRTFGMIHSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317177715 1384951580 /nfs/dbraw/zinc/95/15/80/1384951580.db2.gz UHJNUVSJJBIHTN-BGEOSOQGSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1cccc(C[N@H+]2CCCC[C@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001317178281 1384951905 /nfs/dbraw/zinc/95/19/05/1384951905.db2.gz BCUPWGHYLISTCF-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001317186106 1384960829 /nfs/dbraw/zinc/96/08/29/1384960829.db2.gz HZOCHYYKJSZUKS-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCF)c1ccccc1 ZINC001317192517 1384966302 /nfs/dbraw/zinc/96/63/02/1384966302.db2.gz FLJKOHIBFCGTPE-MOPGFXCFSA-N 2 0 349.494 3.010 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCF)c1ccccc1 ZINC001317192526 1384966410 /nfs/dbraw/zinc/96/64/10/1384966410.db2.gz FLJKOHIBFCGTPE-RTBURBONSA-N 2 0 349.494 3.010 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001317195134 1384969324 /nfs/dbraw/zinc/96/93/24/1384969324.db2.gz MAVOTSUQYHKMIJ-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C)[NH+](C)C ZINC001317195014 1384969352 /nfs/dbraw/zinc/96/93/52/1384969352.db2.gz VWNBXKNIHYIISK-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCC([NH2+]CC=C(C)C)CC2)C1 ZINC001317220019 1385000544 /nfs/dbraw/zinc/00/05/44/1385000544.db2.gz DUMKFSPUFGVCCU-LMDPOFIKSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@H](C(=O)NC1CCC([NH2+]CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001317221452 1385001966 /nfs/dbraw/zinc/00/19/66/1385001966.db2.gz KTMCUMSRAFPVLV-SOAGJPPSSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001317222145 1385002551 /nfs/dbraw/zinc/00/25/51/1385002551.db2.gz XBDXCENOFDWMOO-ACBHZAAOSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317361656 1385104563 /nfs/dbraw/zinc/10/45/63/1385104563.db2.gz XWHDNSWDDQRGCI-DLBZAZTESA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC(C)(C)CC1 ZINC001317392594 1385111539 /nfs/dbraw/zinc/11/15/39/1385111539.db2.gz BOKJPMDAFSTKCS-QFBILLFUSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001317403926 1385117491 /nfs/dbraw/zinc/11/74/91/1385117491.db2.gz IBMOWRNXJSVJMT-UYAOXDASSA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001317415165 1385125101 /nfs/dbraw/zinc/12/51/01/1385125101.db2.gz IUZAYQSGMUZRCQ-CABCVRRESA-N 2 0 339.911 3.226 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001317416328 1385125852 /nfs/dbraw/zinc/12/58/52/1385125852.db2.gz UKLXKNIYCKLFIF-DNVCBOLYSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC(C)(C)C ZINC001317416103 1385125900 /nfs/dbraw/zinc/12/59/00/1385125900.db2.gz RDPSYUTXYZAETJ-MRXNPFEDSA-N 2 0 333.520 3.282 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001317423276 1385130500 /nfs/dbraw/zinc/13/05/00/1385130500.db2.gz MMUYNDAIBLJDCT-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001317434168 1385137930 /nfs/dbraw/zinc/13/79/30/1385137930.db2.gz JUFXMXTVWCBHFV-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317437087 1385139804 /nfs/dbraw/zinc/13/98/04/1385139804.db2.gz TWZFFTCENFRPDS-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CCCCCC1 ZINC001317449111 1385149175 /nfs/dbraw/zinc/14/91/75/1385149175.db2.gz ISWMIMRQSKWPHV-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCC1CCCC1)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317481697 1385177788 /nfs/dbraw/zinc/17/77/88/1385177788.db2.gz IZYJCMMDOAUIQS-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@@H]2CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317502863 1385205987 /nfs/dbraw/zinc/20/59/87/1385205987.db2.gz LCGIDKFFHGFFDI-FAFZWHIHSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CC1CCCC1 ZINC001317544919 1385290395 /nfs/dbraw/zinc/29/03/95/1385290395.db2.gz UUXRCNNPBDFHNG-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001317678579 1385385674 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3.077 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001317881005 1385559455 /nfs/dbraw/zinc/55/94/55/1385559455.db2.gz CECGYYXNXQNLHL-PMACEKPBSA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317917241 1385567260 /nfs/dbraw/zinc/56/72/60/1385567260.db2.gz FIPHGKMIPPSNLU-ZBWOGFRMSA-N 2 0 349.563 3.434 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001317955677 1385586544 /nfs/dbraw/zinc/58/65/44/1385586544.db2.gz YRRRBEFTXHSLIJ-GOSISDBHSA-N 2 0 349.544 3.095 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCCC3CCCC3)CCCC2)CC[N@@H+]1C ZINC001318637134 1385809087 /nfs/dbraw/zinc/80/90/87/1385809087.db2.gz WRBPPYUNDZOHTH-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCC1)[NH+](C)C ZINC001318662953 1385822642 /nfs/dbraw/zinc/82/26/42/1385822642.db2.gz CYKPNKPMPAETNG-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001318962779 1385900210 /nfs/dbraw/zinc/90/02/10/1385900210.db2.gz YQRGZMKKNZMVOP-IYARVYRRSA-N 2 0 337.552 3.458 10 0 EGAERP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001318966201 1385901307 /nfs/dbraw/zinc/90/13/07/1385901307.db2.gz RBMABFGVOPEKRX-WGSAOQKQSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001318976943 1385905655 /nfs/dbraw/zinc/90/56/55/1385905655.db2.gz SFQUPICRNLVUAI-QSLDAMJLSA-N 2 0 337.552 3.338 10 0 EGAERP C[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001318978423 1385906176 /nfs/dbraw/zinc/90/61/76/1385906176.db2.gz BHWNHASNGZVGNL-IHPCNDPISA-N 2 0 345.531 3.497 10 0 EGAERP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990760 1385914573 /nfs/dbraw/zinc/91/45/73/1385914573.db2.gz NITWNVCRLRQDDR-OALUTQOASA-N 2 0 349.494 3.013 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001698621581 1406259343 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3.289 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319658109 1386238030 /nfs/dbraw/zinc/23/80/30/1386238030.db2.gz WDKWNQVLWNCATG-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001319865086 1386343976 /nfs/dbraw/zinc/34/39/76/1386343976.db2.gz QWYYCCLPTMXXQK-ICSRJNTNSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CC(C)(C)C2)C2CC2)CC[N@@H+]1C ZINC001698642897 1406291436 /nfs/dbraw/zinc/29/14/36/1406291436.db2.gz KFGFKWMBFARTII-UEXGIBASSA-N 2 0 349.563 3.027 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001320111572 1386519471 /nfs/dbraw/zinc/51/94/71/1386519471.db2.gz PLCOELYJAQGSRS-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001320149092 1386536358 /nfs/dbraw/zinc/53/63/58/1386536358.db2.gz WJBXEWODEFJURO-LPHOPBHVSA-N 2 0 342.487 3.321 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320156151 1386539820 /nfs/dbraw/zinc/53/98/20/1386539820.db2.gz WOMPJMCHMRJZJM-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001320643966 1386677142 /nfs/dbraw/zinc/67/71/42/1386677142.db2.gz IFTCNUNNBFKQEI-ICSRJNTNSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001320646396 1386678222 /nfs/dbraw/zinc/67/82/22/1386678222.db2.gz XDGGDVYOWVMJBC-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001320778285 1386715816 /nfs/dbraw/zinc/71/58/16/1386715816.db2.gz REAAJVGCEBCXLP-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321207307 1386841398 /nfs/dbraw/zinc/84/13/98/1386841398.db2.gz FDGLMRMQRRWHJV-GHOSXJJBSA-N 2 0 333.520 3.012 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CC2CCCCCC2)CC1 ZINC001321314697 1386874039 /nfs/dbraw/zinc/87/40/39/1386874039.db2.gz JFFQNTQNWCKMME-BQYQJAHWSA-N 2 0 349.563 3.339 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001698678315 1406326137 /nfs/dbraw/zinc/32/61/37/1406326137.db2.gz WTKDRWQSVMJQSA-FXAWDEMLSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001322177721 1387089329 /nfs/dbraw/zinc/08/93/29/1387089329.db2.gz VOJTWHYFWSHLPD-ROUUACIJSA-N 2 0 345.531 3.285 10 0 EGAERP C[C@H](C[N@H+](C)[C@H](C)c1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322217800 1387107041 /nfs/dbraw/zinc/10/70/41/1387107041.db2.gz HZRBZYZHOYPTRR-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001182241572 1387130513 /nfs/dbraw/zinc/13/05/13/1387130513.db2.gz NPEUDKDRIVWTPE-MJGOQNOKSA-N 2 0 329.488 3.341 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001322308261 1387153279 /nfs/dbraw/zinc/15/32/79/1387153279.db2.gz VQUHMWGIDIKENR-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001329458747 1389116413 /nfs/dbraw/zinc/11/64/13/1389116413.db2.gz BWOXZGIPYPRVCI-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001329500329 1389131952 /nfs/dbraw/zinc/13/19/52/1389131952.db2.gz HWGLZCCBKDKLSX-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CC(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001329888486 1389247010 /nfs/dbraw/zinc/24/70/10/1389247010.db2.gz WKYWPPJVVMVECF-CTWPCTMYSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330086393 1389305342 /nfs/dbraw/zinc/30/53/42/1389305342.db2.gz QEIRTQLVUAVXPN-DDRDIHNTSA-N 2 0 349.563 3.290 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[NH+](CCC(C)(C)C)CC1(C)C)CC(C)(C)C ZINC001330230358 1389351991 /nfs/dbraw/zinc/35/19/91/1389351991.db2.gz OFRKYGARVDXITB-INIZCTEOSA-N 2 0 339.568 3.227 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001330230966 1389353753 /nfs/dbraw/zinc/35/37/53/1389353753.db2.gz UOLMRYKGZAUBHP-LZZOGUTLSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330242417 1389359473 /nfs/dbraw/zinc/35/94/73/1389359473.db2.gz BOGVPYDMHOTVDU-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001330650094 1389482696 /nfs/dbraw/zinc/48/26/96/1389482696.db2.gz GAVHWZRVZMWLSD-HNBVOPMISA-N 2 0 345.531 3.127 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001330655304 1389485486 /nfs/dbraw/zinc/48/54/86/1389485486.db2.gz FHOMPXCVWJLUTJ-GUDVDZBRSA-N 2 0 349.563 3.027 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001330898603 1389557189 /nfs/dbraw/zinc/55/71/89/1389557189.db2.gz HTYKCUCEEUZWLV-HBFSDRIKSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001330976756 1389583559 /nfs/dbraw/zinc/58/35/59/1389583559.db2.gz LTFCJWIURKJBCS-MSOLQXFVSA-N 2 0 331.504 3.026 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCCC1 ZINC001330976764 1389583770 /nfs/dbraw/zinc/58/37/70/1389583770.db2.gz LTFCJWIURKJBCS-ZWKOTPCHSA-N 2 0 331.504 3.026 10 0 EGAERP CC[C@H](F)C[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001331059470 1389615277 /nfs/dbraw/zinc/61/52/77/1389615277.db2.gz MKOXRNMCRYTDOZ-SFHVURJKSA-N 2 0 349.494 3.033 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001331202530 1389653358 /nfs/dbraw/zinc/65/33/58/1389653358.db2.gz JYBJCVWAGAGOQW-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCC1 ZINC001331363781 1389719130 /nfs/dbraw/zinc/71/91/30/1389719130.db2.gz XLHQHRZOAKQKMM-VQTJNVASSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331491717 1389769731 /nfs/dbraw/zinc/76/97/31/1389769731.db2.gz OSFFPPMVPDREKQ-MRXNPFEDSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331942315 1389920423 /nfs/dbraw/zinc/92/04/23/1389920423.db2.gz ASROAAGRWFIQNJ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001332111813 1389990011 /nfs/dbraw/zinc/99/00/11/1389990011.db2.gz OCWMYXQDGRCVKQ-PXNSSMCTSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001332187067 1390030309 /nfs/dbraw/zinc/03/03/09/1390030309.db2.gz WCTFXVHPZBWIFT-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001332215368 1390047675 /nfs/dbraw/zinc/04/76/75/1390047675.db2.gz AOHRQDHHBKFUNH-LSLCWXNRSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342342 1390091710 /nfs/dbraw/zinc/09/17/10/1390091710.db2.gz UCRLYLQVZMKKSX-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1nccn1CC(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001332897567 1390211800 /nfs/dbraw/zinc/21/18/00/1390211800.db2.gz CMVSGSYSVUGTQR-SFHVURJKSA-N 2 0 348.535 3.282 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001332959967 1390224474 /nfs/dbraw/zinc/22/44/74/1390224474.db2.gz GSZXFRRTKLSFCA-MSOLQXFVSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001332960480 1390224871 /nfs/dbraw/zinc/22/48/71/1390224871.db2.gz VAIUIHIZBCKVHX-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001332960743 1390225104 /nfs/dbraw/zinc/22/51/04/1390225104.db2.gz NNOBEUMLKWUDLR-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001333005911 1390235599 /nfs/dbraw/zinc/23/55/99/1390235599.db2.gz YCOIRINBVADEJH-PXNSSMCTSA-N 2 0 345.531 3.305 10 0 EGAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001333399022 1390296623 /nfs/dbraw/zinc/29/66/23/1390296623.db2.gz FTPHIFGWDSNKTM-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccccc2N2CCOCC2)CC1 ZINC001335168225 1390650958 /nfs/dbraw/zinc/65/09/58/1390650958.db2.gz YTERTHXXIMCJKH-UHFFFAOYSA-N 2 0 343.515 3.020 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCCC2)CC[N@@H+]1C ZINC001698800951 1406476282 /nfs/dbraw/zinc/47/62/82/1406476282.db2.gz ZNNYVIUXXNYQGA-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001479295271 1392206802 /nfs/dbraw/zinc/20/68/02/1392206802.db2.gz MVPRITDBZXKDLD-QRVBRYPASA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001479609809 1392285690 /nfs/dbraw/zinc/28/56/90/1392285690.db2.gz APJVRFRLBDFQCK-RLLQIKCJSA-N 2 0 349.563 3.290 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2F)C1 ZINC001479690397 1392321800 /nfs/dbraw/zinc/32/18/00/1392321800.db2.gz OJXRMESXENQQKA-SFHVURJKSA-N 2 0 349.494 3.028 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001479746991 1392363442 /nfs/dbraw/zinc/36/34/42/1392363442.db2.gz VTBSEQLDAMNOGQ-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001479816988 1392409302 /nfs/dbraw/zinc/40/93/02/1392409302.db2.gz YAMFPDXOQJDEKZ-QGZVFWFLSA-N 2 0 349.494 3.201 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829802 1392416521 /nfs/dbraw/zinc/41/65/21/1392416521.db2.gz OAFAJIGRMGCGLH-PKOBYXMFSA-N 2 0 347.547 3.188 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479834944 1392420740 /nfs/dbraw/zinc/42/07/40/1392420740.db2.gz SWSQEQHTCHBSSJ-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001479853137 1392432442 /nfs/dbraw/zinc/43/24/42/1392432442.db2.gz CSYSAHBYNXZUPC-HXUWFJFHSA-N 2 0 345.531 3.308 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001698858393 1406567217 /nfs/dbraw/zinc/56/72/17/1406567217.db2.gz CHLQEEOPSFQGGI-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480077741 1392567666 /nfs/dbraw/zinc/56/76/66/1392567666.db2.gz PCHYNEQOGSWGJZ-IEVDXQOXSA-N 2 0 349.563 3.243 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001480085176 1392574860 /nfs/dbraw/zinc/57/48/60/1392574860.db2.gz QJALRQNYEDOWBH-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480151032 1392602246 /nfs/dbraw/zinc/60/22/46/1392602246.db2.gz OBPYDVBJLPBAQU-JZANDJSESA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1ccc(Cl)cc1 ZINC001480208140 1392623304 /nfs/dbraw/zinc/62/33/04/1392623304.db2.gz OTMHDWLTIAEMIF-XYPHTWIQSA-N 2 0 349.906 3.122 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001480272255 1392655128 /nfs/dbraw/zinc/65/51/28/1392655128.db2.gz PPYNJUQVKGKEPN-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001480352075 1392700617 /nfs/dbraw/zinc/70/06/17/1392700617.db2.gz QJWJCIAVCNKNOG-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001480404687 1392742607 /nfs/dbraw/zinc/74/26/07/1392742607.db2.gz DBBFPAFFHKJFDT-ODIFPOPNSA-N 2 0 342.487 3.319 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001480408557 1392744836 /nfs/dbraw/zinc/74/48/36/1392744836.db2.gz WMVFKHUBFOKPIO-UHFFFAOYSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001480475861 1392763773 /nfs/dbraw/zinc/76/37/73/1392763773.db2.gz VFMSQHCUSYLGCD-QFBILLFUSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001480515599 1392776079 /nfs/dbraw/zinc/77/60/79/1392776079.db2.gz HYEIKILPWDNBRE-MAUKXSAKSA-N 2 0 349.494 3.246 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480742605 1392908192 /nfs/dbraw/zinc/90/81/92/1392908192.db2.gz OIMFPZUTFYFFHA-RTBURBONSA-N 2 0 345.531 3.319 10 0 EGAERP C[N@H+](CC1CC(C)(C)C1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480742627 1392909087 /nfs/dbraw/zinc/90/90/87/1392909087.db2.gz OOORAKFKKADWLO-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001480753344 1392914346 /nfs/dbraw/zinc/91/43/46/1392914346.db2.gz FGIATBPRGJJPOK-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+]1CCC(CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001480829284 1392969216 /nfs/dbraw/zinc/96/92/16/1392969216.db2.gz HSEJUHQRLVCOCN-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC[N@H+](CC2CCCC2)C2CC2)CCCCC1 ZINC001481180041 1393142984 /nfs/dbraw/zinc/14/29/84/1393142984.db2.gz KAFNUZDRSCHQDA-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CN(CC[NH2+]CCC1CCCCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001481280398 1393157574 /nfs/dbraw/zinc/15/75/74/1393157574.db2.gz ZJUABJIPFPOLDH-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001481315272 1393162490 /nfs/dbraw/zinc/16/24/90/1393162490.db2.gz UNRJBRIGVXSQML-KRWDZBQOSA-N 2 0 345.531 3.189 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1=CCCCC1 ZINC001481350292 1393173206 /nfs/dbraw/zinc/17/32/06/1393173206.db2.gz KGINLSBMGCQBCD-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001490311047 1393173998 /nfs/dbraw/zinc/17/39/98/1393173998.db2.gz GMBRUBHXJDSFPQ-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481409165 1394265347 /nfs/dbraw/zinc/26/53/47/1394265347.db2.gz JEJGOAZTQCVMLF-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001490666068 1394289960 /nfs/dbraw/zinc/28/99/60/1394289960.db2.gz XZLFUNYTMJJNJY-QUCCMNQESA-N 2 0 347.547 3.092 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001698946996 1406686865 /nfs/dbraw/zinc/68/68/65/1406686865.db2.gz RCVDHHNAQJBLMQ-IIMPKJCBSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481462145 1394318153 /nfs/dbraw/zinc/31/81/53/1394318153.db2.gz PZCVQZPIAMRPAL-RBUKOAKNSA-N 2 0 345.531 3.224 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[N@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001490766148 1394327984 /nfs/dbraw/zinc/32/79/84/1394327984.db2.gz KTLJPUVTKIBQFT-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490765843 1394328846 /nfs/dbraw/zinc/32/88/46/1394328846.db2.gz ITSZPHLLVAVFAI-UYAOXDASSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481485533 1394330169 /nfs/dbraw/zinc/33/01/69/1394330169.db2.gz HZVMBNYSVNLHMQ-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC(C)C)C1 ZINC001481488779 1394333490 /nfs/dbraw/zinc/33/34/90/1394333490.db2.gz WNURTRSGJVEOQZ-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481490338 1394334430 /nfs/dbraw/zinc/33/44/30/1394334430.db2.gz DTWOILMXEJUFBY-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001481490336 1394334459 /nfs/dbraw/zinc/33/44/59/1394334459.db2.gz DTWOILMXEJUFBY-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481500214 1394347323 /nfs/dbraw/zinc/34/73/23/1394347323.db2.gz DUHPLXRKTGSUCC-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481525671 1394376866 /nfs/dbraw/zinc/37/68/66/1394376866.db2.gz BSBFLAAXHBBVPF-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001491080524 1394421152 /nfs/dbraw/zinc/42/11/52/1394421152.db2.gz OZERGPPVKJCLMT-KDURUIRLSA-N 2 0 347.547 3.070 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120239 1394438871 /nfs/dbraw/zinc/43/88/71/1394438871.db2.gz MVKSZXBHOGCIAK-LPHOPBHVSA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC(C)C)CC[N@@H+]1C ZINC001491216097 1394475793 /nfs/dbraw/zinc/47/57/93/1394475793.db2.gz YRLKOQUAFJKEHV-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491219632 1394478122 /nfs/dbraw/zinc/47/81/22/1394478122.db2.gz VROXHZMQBHRWQI-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491219633 1394478485 /nfs/dbraw/zinc/47/84/85/1394478485.db2.gz VROXHZMQBHRWQI-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481735358 1394483310 /nfs/dbraw/zinc/48/33/10/1394483310.db2.gz LMFKNZOWEDRQNC-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481959136 1394619913 /nfs/dbraw/zinc/61/99/13/1394619913.db2.gz UYMXUGKOQFKJRF-FXAWDEMLSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001482007885 1394667556 /nfs/dbraw/zinc/66/75/56/1394667556.db2.gz RUEGHOVMKVPZLT-UHFFFAOYSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001482022759 1394679853 /nfs/dbraw/zinc/67/98/53/1394679853.db2.gz LYASIYCWOMLIAB-FHWLQOOXSA-N 2 0 337.552 3.457 10 0 EGAERP C[NH+](C)CCC(=O)NCCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001482045266 1394706970 /nfs/dbraw/zinc/70/69/70/1394706970.db2.gz BXLWIAKGHHTRAV-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960353 1406713380 /nfs/dbraw/zinc/71/33/80/1406713380.db2.gz HGQIKLAPRBQHBD-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337097 1394904831 /nfs/dbraw/zinc/90/48/31/1394904831.db2.gz MWUVTUPYGGYKBT-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CCCCC2)CCC1 ZINC001482406734 1394970442 /nfs/dbraw/zinc/97/04/42/1394970442.db2.gz TXANVYNMHXPERN-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001482422751 1394984932 /nfs/dbraw/zinc/98/49/32/1394984932.db2.gz GSCKPGBIQRYVFN-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCCC1 ZINC001698970680 1406734082 /nfs/dbraw/zinc/73/40/82/1406734082.db2.gz KCZHYOHSBYQJTP-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001482504375 1395057549 /nfs/dbraw/zinc/05/75/49/1395057549.db2.gz NBNGOWSVQUDROV-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001482508085 1395061936 /nfs/dbraw/zinc/06/19/36/1395061936.db2.gz NAKWAYKIFHUISW-KKHYBRAUSA-N 2 0 349.563 3.245 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001483915061 1395143061 /nfs/dbraw/zinc/14/30/61/1395143061.db2.gz CSHRHFOFROELBK-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001483991474 1395175550 /nfs/dbraw/zinc/17/55/50/1395175550.db2.gz AIXNCXDIQVSHQY-UXHICEINSA-N 2 0 339.483 3.091 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2(C)CC[NH+](CCCC3CCC3)CC2)C1 ZINC001484144862 1395280231 /nfs/dbraw/zinc/28/02/31/1395280231.db2.gz LUQBGEUHKKYTEM-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484173353 1395315932 /nfs/dbraw/zinc/31/59/32/1395315932.db2.gz FOPWIYCZTQJTKM-HXUWFJFHSA-N 2 0 335.536 3.047 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001484395417 1395365430 /nfs/dbraw/zinc/36/54/30/1395365430.db2.gz WRCKDMAWPJRVDL-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001484463441 1395397296 /nfs/dbraw/zinc/39/72/96/1395397296.db2.gz JPGJLCXIWWLKLW-HSALFYBXSA-N 2 0 349.563 3.362 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484463557 1395397995 /nfs/dbraw/zinc/39/79/95/1395397995.db2.gz HKFIPZBDOXUNPI-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001484561921 1395447610 /nfs/dbraw/zinc/44/76/10/1395447610.db2.gz SKPVBDGOZNPNQX-QRWLVFNGSA-N 2 0 349.494 3.186 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001484618509 1395452641 /nfs/dbraw/zinc/45/26/41/1395452641.db2.gz SSUKHMBELVNEBK-UYAOXDASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001484760392 1395511898 /nfs/dbraw/zinc/51/18/98/1395511898.db2.gz DUKYKTASTLBXQQ-SFHVURJKSA-N 2 0 325.541 3.076 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001485155789 1395671958 /nfs/dbraw/zinc/67/19/58/1395671958.db2.gz LFYFHFYPGBTSTP-JKSUJKDBSA-N 2 0 343.515 3.031 10 0 EGAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001698992264 1406784007 /nfs/dbraw/zinc/78/40/07/1406784007.db2.gz MXDASDVIVNBDCL-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCC1 ZINC001485342370 1395815295 /nfs/dbraw/zinc/81/52/95/1395815295.db2.gz RRFDSICMRNCNBJ-LPHOPBHVSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2C)C1 ZINC001485342397 1395815627 /nfs/dbraw/zinc/81/56/27/1395815627.db2.gz SEGUVTUFIHFMRN-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001501625153 1396194833 /nfs/dbraw/zinc/19/48/33/1396194833.db2.gz DQAYOGGXTXAEAW-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC001502520377 1396200280 /nfs/dbraw/zinc/20/02/80/1396200280.db2.gz XAZCHHCOUCKTIF-HXUWFJFHSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001699000662 1406809755 /nfs/dbraw/zinc/80/97/55/1406809755.db2.gz DRCFFIUGMNYCON-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001502647154 1396211694 /nfs/dbraw/zinc/21/16/94/1396211694.db2.gz HEAKNOMEJJGJGM-DPZZJQGRSA-N 2 0 341.499 3.069 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001502751406 1396227712 /nfs/dbraw/zinc/22/77/12/1396227712.db2.gz PQUVUSGKQBPMHL-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001699001075 1406811377 /nfs/dbraw/zinc/81/13/77/1406811377.db2.gz IAMIAYMFWVHXJG-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001505398594 1396286313 /nfs/dbraw/zinc/28/63/13/1396286313.db2.gz NYTLLHYXHBSMGK-ICSRJNTNSA-N 2 0 349.563 3.243 10 0 EGAERP C[N@H+](CCCC1CCCC1)CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001492303211 1396318499 /nfs/dbraw/zinc/31/84/99/1396318499.db2.gz IGYSICBJCOTSSJ-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001492818177 1396324950 /nfs/dbraw/zinc/32/49/50/1396324950.db2.gz ZPEZQACVQWKOSB-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494301634 1396424171 /nfs/dbraw/zinc/42/41/71/1396424171.db2.gz YFWYJRKYLWNVQE-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001494827114 1396497376 /nfs/dbraw/zinc/49/73/76/1396497376.db2.gz KRLSYJOBTGVKPK-OKZBNKHCSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001495963719 1396579873 /nfs/dbraw/zinc/57/98/73/1396579873.db2.gz PECWEIJUNIZSDA-SFHVURJKSA-N 2 0 345.531 3.415 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496053856 1396592413 /nfs/dbraw/zinc/59/24/13/1396592413.db2.gz CSCPCUMWENJBPG-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@@H]1C ZINC001496365610 1396670130 /nfs/dbraw/zinc/67/01/30/1396670130.db2.gz ZWVGXRLFBXROGI-FXAWDEMLSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001496373069 1396673696 /nfs/dbraw/zinc/67/36/96/1396673696.db2.gz CGQDNPFJAIBIPV-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCCC1 ZINC001497278447 1396744305 /nfs/dbraw/zinc/74/43/05/1396744305.db2.gz WMBCHWDVOZCEJI-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001497761993 1396831652 /nfs/dbraw/zinc/83/16/52/1396831652.db2.gz DOHRMYUHVCBUPD-SGQUHAKNSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1)[NH+]1CCCC1 ZINC001497762606 1396831764 /nfs/dbraw/zinc/83/17/64/1396831764.db2.gz JJVIXVKTCBNBNQ-DXGMNQLZSA-N 2 0 349.563 3.195 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CC1CC1 ZINC001689056812 1396858073 /nfs/dbraw/zinc/85/80/73/1396858073.db2.gz YOQPLQRMYJYDLR-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)CC)C1 ZINC001689153103 1396951881 /nfs/dbraw/zinc/95/18/81/1396951881.db2.gz IOMJNQRRNOXRDN-WOJBJXKFSA-N 2 0 345.531 3.103 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001689362519 1403698642 /nfs/dbraw/zinc/69/86/42/1403698642.db2.gz ALIVALHYKISOHG-ZEVQVBBLSA-N 2 0 337.552 3.291 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001689828410 1404162586 /nfs/dbraw/zinc/16/25/86/1404162586.db2.gz HWSKRMROEKDELS-BQFCYCMXSA-N 2 0 349.494 3.055 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690189453 1404391804 /nfs/dbraw/zinc/39/18/04/1404391804.db2.gz UDOFJTBASKCFPM-IHHMQQGQSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1)C1CCC1 ZINC001690383843 1404516910 /nfs/dbraw/zinc/51/69/10/1404516910.db2.gz XDZRWHWDSNDRIB-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001690436739 1404558839 /nfs/dbraw/zinc/55/88/39/1404558839.db2.gz PGHJCCZIKDXBTA-ZBWOGFRMSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455713 1404584235 /nfs/dbraw/zinc/58/42/35/1404584235.db2.gz WTCHAYDNBCNUNI-LKGOPFMKSA-N 2 0 337.552 3.291 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001690473171 1404596467 /nfs/dbraw/zinc/59/64/67/1404596467.db2.gz JNFSHKZWXRQGKI-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001690473408 1404597067 /nfs/dbraw/zinc/59/70/67/1404597067.db2.gz SYQYSMJGYIYAMW-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001690610389 1404651413 /nfs/dbraw/zinc/65/14/13/1404651413.db2.gz MCFOCGPQJCFJFX-APWZRJJASA-N 2 0 343.515 3.033 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001690748499 1404707590 /nfs/dbraw/zinc/70/75/90/1404707590.db2.gz XWOKYECTFROZGS-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001690811432 1404747906 /nfs/dbraw/zinc/74/79/06/1404747906.db2.gz REBIQZAVIQWDSY-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001690815475 1404750926 /nfs/dbraw/zinc/75/09/26/1404750926.db2.gz UTQZTIYXPTWOJF-OVKVCFKUSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1)[NH+](C)C ZINC001690901628 1404809024 /nfs/dbraw/zinc/80/90/24/1404809024.db2.gz JJMGYAKRBPOYAU-RTBURBONSA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001691058709 1404980696 /nfs/dbraw/zinc/98/06/96/1404980696.db2.gz OHWLBLYUVNQDDR-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001691075106 1405008797 /nfs/dbraw/zinc/00/87/97/1405008797.db2.gz OHIVYVZOPMHXSI-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001691249271 1405180824 /nfs/dbraw/zinc/18/08/24/1405180824.db2.gz LDCRAYCHVBCREQ-CEXWTWQISA-N 2 0 345.531 3.191 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001691272490 1405186145 /nfs/dbraw/zinc/18/61/45/1405186145.db2.gz YJTUYUBIBKNVSA-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001691372214 1405217660 /nfs/dbraw/zinc/21/76/60/1405217660.db2.gz WUQGRAVBDZNUFQ-UHFFFAOYSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001691377306 1405219549 /nfs/dbraw/zinc/21/95/49/1405219549.db2.gz YWLMQLZUUVNVFK-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCC2CC2)CC[N@@H+]1C ZINC001691401455 1405237838 /nfs/dbraw/zinc/23/78/38/1405237838.db2.gz KNJSCFNKRAUSHY-HNBVOPMISA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001691444729 1405272865 /nfs/dbraw/zinc/27/28/65/1405272865.db2.gz RSFTXJQDCCCVCN-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1CCCC1CCC1 ZINC001691482904 1405296044 /nfs/dbraw/zinc/29/60/44/1405296044.db2.gz ZSUVEFQSQMOKJE-OTWHNJEPSA-N 2 0 337.552 3.122 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691693104 1405427568 /nfs/dbraw/zinc/42/75/68/1405427568.db2.gz ZCUJWLLYXNSERU-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCC1CC1)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001691798266 1405509836 /nfs/dbraw/zinc/50/98/36/1405509836.db2.gz AVDZGPDTXSDQGV-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001691812816 1405525230 /nfs/dbraw/zinc/52/52/30/1405525230.db2.gz DEQYSNUFJXHRAR-LKGOPFMKSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001691819587 1405536266 /nfs/dbraw/zinc/53/62/66/1405536266.db2.gz WQAZOTLPWOHCEP-OVKVCFKUSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001691976204 1405691087 /nfs/dbraw/zinc/69/10/87/1405691087.db2.gz PBGGWPNOSGUWHZ-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)CC2=CCCCC2)CC1 ZINC001692026780 1405745501 /nfs/dbraw/zinc/74/55/01/1405745501.db2.gz YCVHRYADKQZFPW-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001692101989 1405771779 /nfs/dbraw/zinc/77/17/79/1405771779.db2.gz VXLBZDNKZKHXOY-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001692121506 1405783543 /nfs/dbraw/zinc/78/35/43/1405783543.db2.gz UEXWKKKPYVNYOX-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001692131648 1405788688 /nfs/dbraw/zinc/78/86/88/1405788688.db2.gz GNKDFFSYVGVYOT-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001692329732 1405948580 /nfs/dbraw/zinc/94/85/80/1405948580.db2.gz MFRMSMCXMBKPLB-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccccc1C[N@@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001732009990 1428224617 /nfs/dbraw/zinc/22/46/17/1428224617.db2.gz RQFBMAZPQGQOMS-UHFFFAOYSA-N 2 0 345.531 3.196 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001698573393 1406179521 /nfs/dbraw/zinc/17/95/21/1406179521.db2.gz CVDKAUZICCKLIA-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001732042894 1428274760 /nfs/dbraw/zinc/27/47/60/1428274760.db2.gz ZSIMYZXEDFIOHD-FQEVSTJZSA-N 2 0 347.547 3.286 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001732058253 1428303408 /nfs/dbraw/zinc/30/34/08/1428303408.db2.gz BJRPHLCNWZWQNV-WOJBJXKFSA-N 2 0 347.547 3.047 10 0 EGAERP CCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001732185561 1428434291 /nfs/dbraw/zinc/43/42/91/1428434291.db2.gz GMCFDGKLPWZOFU-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](CC)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001732206205 1428455579 /nfs/dbraw/zinc/45/55/79/1428455579.db2.gz NAVJPJCNTWAORY-VQTJNVASSA-N 2 0 345.531 3.108 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732276558 1428510280 /nfs/dbraw/zinc/51/02/80/1428510280.db2.gz XVVZADDBRRFQHG-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001732303588 1428520786 /nfs/dbraw/zinc/52/07/86/1428520786.db2.gz VFPAYTDPPPOSCO-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001732307405 1428522403 /nfs/dbraw/zinc/52/24/03/1428522403.db2.gz AWVGABYEBCUSPY-LWYYNNOASA-N 2 0 349.563 3.314 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1 ZINC001732312870 1428525132 /nfs/dbraw/zinc/52/51/32/1428525132.db2.gz KTSHMVACNXNIIH-MXVIHJGJSA-N 2 0 347.547 3.380 10 0 EGAERP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001732317082 1428527934 /nfs/dbraw/zinc/52/79/34/1428527934.db2.gz NHJCQNIIYITSSL-QGZVFWFLSA-N 2 0 345.531 3.170 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732443596 1428583387 /nfs/dbraw/zinc/58/33/87/1428583387.db2.gz VHIXFVZSMKXXDA-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732530363 1428650940 /nfs/dbraw/zinc/65/09/40/1428650940.db2.gz VBNSHDDSRDOGDI-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068365 1412493829 /nfs/dbraw/zinc/49/38/29/1412493829.db2.gz XPNLAZSTRMVUDS-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](CC[NH2+]CCC1CCCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699147324 1412535352 /nfs/dbraw/zinc/53/53/52/1412535352.db2.gz PWOFNLGWLZJMTB-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001699312943 1412632642 /nfs/dbraw/zinc/63/26/42/1412632642.db2.gz ALOSBCOTXREKSM-AWPLVZOVSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001699382834 1412692234 /nfs/dbraw/zinc/69/22/34/1412692234.db2.gz CYSGXXHRJJDWJS-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699369602 1412675807 /nfs/dbraw/zinc/67/58/07/1412675807.db2.gz SELPAFQIAIEJEH-MRXNPFEDSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405935 1412718563 /nfs/dbraw/zinc/71/85/63/1412718563.db2.gz MSGVWNOOAKHMDD-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699409366 1412722608 /nfs/dbraw/zinc/72/26/08/1412722608.db2.gz XAPYVNJSKFWQGR-ZWKOTPCHSA-N 2 0 343.515 3.026 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699417101 1412731545 /nfs/dbraw/zinc/73/15/45/1412731545.db2.gz XYIHGIPKILHXLX-LPHOPBHVSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001699442886 1412773144 /nfs/dbraw/zinc/77/31/44/1412773144.db2.gz QZBVDKVQWRCXGL-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001699587916 1412945807 /nfs/dbraw/zinc/94/58/07/1412945807.db2.gz IWMXEZJFMXQOQV-VQTJNVASSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001699654088 1413036527 /nfs/dbraw/zinc/03/65/27/1413036527.db2.gz BLJWQOQNARPIFQ-SFHVURJKSA-N 2 0 349.563 3.458 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001699682933 1413077184 /nfs/dbraw/zinc/07/71/84/1413077184.db2.gz CDWXCWVDGNPDEF-OALUTQOASA-N 2 0 335.536 3.164 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CC1=CCCCC1)C2 ZINC001699697931 1413108574 /nfs/dbraw/zinc/10/85/74/1413108574.db2.gz VRKOMPJODJJKQS-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001699765328 1413170633 /nfs/dbraw/zinc/17/06/33/1413170633.db2.gz HBNJCHLYMMSMSX-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699766318 1413171326 /nfs/dbraw/zinc/17/13/26/1413171326.db2.gz FLZGYNGOLIDBPI-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699774074 1413182355 /nfs/dbraw/zinc/18/23/55/1413182355.db2.gz GPWVOTZNISVATL-IRXDYDNUSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699862413 1413296914 /nfs/dbraw/zinc/29/69/14/1413296914.db2.gz VJLYLLZVNAJEEV-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001699863998 1413300161 /nfs/dbraw/zinc/30/01/61/1413300161.db2.gz FGPTYQNWXNJHIT-WAYWQWQTSA-N 2 0 349.563 3.293 10 0 EGAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2C)C1)[NH+](C)C ZINC001699868721 1413311872 /nfs/dbraw/zinc/31/18/72/1413311872.db2.gz OXVUFSBGOUTSFC-TZIWHRDSSA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC001700017562 1413463936 /nfs/dbraw/zinc/46/39/36/1413463936.db2.gz PHKYQNRTVPITCH-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001700065500 1413482097 /nfs/dbraw/zinc/48/20/97/1413482097.db2.gz 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ZINC001700223269 1413672521 /nfs/dbraw/zinc/67/25/21/1413672521.db2.gz SXGWTJBPLQGLCY-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558627 1428747239 /nfs/dbraw/zinc/74/72/39/1428747239.db2.gz LQHHCISUTIEEBB-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700339940 1413819101 /nfs/dbraw/zinc/81/91/01/1413819101.db2.gz DOGSXIVXBJTUMH-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354821 1413854108 /nfs/dbraw/zinc/85/41/08/1413854108.db2.gz WIUOZGOTOUHJOC-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCCC1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001700419445 1413967898 /nfs/dbraw/zinc/96/78/98/1413967898.db2.gz WMMUJNFPBXUMFW-SJORKVTESA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CCCC2)CC1)[NH+](C)C ZINC001700437113 1414005514 /nfs/dbraw/zinc/00/55/14/1414005514.db2.gz COJNRLBLMCCYOM-ACBHZAAOSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001700465564 1414071353 /nfs/dbraw/zinc/07/13/53/1414071353.db2.gz GKCCKRAEJXVDML-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1c(C(=O)N(C)CC[C@H]([NH2+]CCCF)C(C)C)ccc2c[nH+]cn21 ZINC001700502817 1414150744 /nfs/dbraw/zinc/15/07/44/1414150744.db2.gz ZAFFCPLCOLBXDQ-SFHVURJKSA-N 2 0 348.466 3.079 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001700530389 1414196785 /nfs/dbraw/zinc/19/67/85/1414196785.db2.gz CMEWBWGMMVKCKC-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001700579476 1414256855 /nfs/dbraw/zinc/25/68/55/1414256855.db2.gz VZTOYTIUBVTKNF-PKOBYXMFSA-N 2 0 345.531 3.306 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC1CC(C)(C)C1)C2 ZINC001700621291 1414290377 /nfs/dbraw/zinc/29/03/77/1414290377.db2.gz PUCHVWZZOLWWSG-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP 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ZAXYXNOJHIOXOD-HKUYNNGSSA-N 2 0 347.547 3.437 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001700999616 1414651321 /nfs/dbraw/zinc/65/13/21/1414651321.db2.gz ZAXYXNOJHIOXOD-PKOBYXMFSA-N 2 0 347.547 3.437 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001701010344 1414669046 /nfs/dbraw/zinc/66/90/46/1414669046.db2.gz YAUCWOBCPABCOM-AQIYZVDXSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001701012914 1414673610 /nfs/dbraw/zinc/67/36/10/1414673610.db2.gz CMZBJYFFZWZMCH-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CCCCC2)C1 ZINC001701019252 1414680217 /nfs/dbraw/zinc/68/02/17/1414680217.db2.gz FIXCSXHEWHGJIW-JLAWEPINSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)C[N@@H+](C)CC(C)(C)C)CC2)CC1 ZINC001701029609 1414691114 /nfs/dbraw/zinc/69/11/14/1414691114.db2.gz DSKKHGMKCSJRCS-UHFFFAOYSA-N 2 0 349.563 3.291 10 0 EGAERP 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1417198469 /nfs/dbraw/zinc/19/84/69/1417198469.db2.gz MMUFMGZVLHLJNC-FOUKWCRFSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001707093091 1417198598 /nfs/dbraw/zinc/19/85/98/1417198598.db2.gz LRLNBHBAQYGAJF-UAPYVXQJSA-N 2 0 345.531 3.282 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001707119515 1417208905 /nfs/dbraw/zinc/20/89/05/1417208905.db2.gz RXTABZCEMTVOGF-JENIJYKNSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001707203885 1417243823 /nfs/dbraw/zinc/24/38/23/1417243823.db2.gz NFCZYLMLSTXTTI-LNMLPRMJSA-N 2 0 335.536 3.186 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001707234873 1417255803 /nfs/dbraw/zinc/25/58/03/1417255803.db2.gz OWGFQVNRDHNIRS-SFHVURJKSA-N 2 0 325.541 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C/C=C\c2ccccc2)[C@@H]1C ZINC001707263204 1417271898 /nfs/dbraw/zinc/27/18/98/1417271898.db2.gz HADJEWZPOCWSSW-POQYLXETSA-N 2 0 343.515 3.011 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001707276427 1417283929 /nfs/dbraw/zinc/28/39/29/1417283929.db2.gz YBQJPDCAQCNUOY-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001707399193 1417313670 /nfs/dbraw/zinc/31/36/70/1417313670.db2.gz CCJAKBJIGUIHNN-SFHVURJKSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001707444041 1417347896 /nfs/dbraw/zinc/34/78/96/1417347896.db2.gz KRXVCWALZZGPMT-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001707470730 1417371429 /nfs/dbraw/zinc/37/14/29/1417371429.db2.gz AKYRSNXBGDCPFU-IEBWSBKVSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CCC2CCCC2)C1 ZINC001733049187 1429183915 /nfs/dbraw/zinc/18/39/15/1429183915.db2.gz ILDUEUSVDJYINA-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)C/C=C\c1ccccc1 ZINC001712990957 1417542638 /nfs/dbraw/zinc/54/26/38/1417542638.db2.gz KQHPNQJQLNBIQP-DVYMXEPTSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)c1ccccc1F ZINC001713027991 1417579473 /nfs/dbraw/zinc/57/94/73/1417579473.db2.gz PMUZCBLIXZIDJM-DLBZAZTESA-N 2 0 349.494 3.057 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001713098494 1417648586 /nfs/dbraw/zinc/64/85/86/1417648586.db2.gz PADZKRWMJGXBNB-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713176102 1417748840 /nfs/dbraw/zinc/74/88/40/1417748840.db2.gz ZDXOGQRQXSPJAA-WGSAOQKQSA-N 2 0 331.504 3.035 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001713256548 1417856797 /nfs/dbraw/zinc/85/67/97/1417856797.db2.gz JEQCOFXXGZVFQU-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CCC(C)C ZINC001713271563 1417884775 /nfs/dbraw/zinc/88/47/75/1417884775.db2.gz KVISTPFIMUAXRK-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001713286919 1417914208 /nfs/dbraw/zinc/91/42/08/1417914208.db2.gz INCPXFBEQIFMTO-DXGMNQLZSA-N 2 0 347.547 3.092 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713351630 1417970302 /nfs/dbraw/zinc/97/03/02/1417970302.db2.gz IWZMBRMQGGJPND-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001713408169 1418031283 /nfs/dbraw/zinc/03/12/83/1418031283.db2.gz FYNXCHSTJZZIKE-NZSAHSFTSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001733080069 1429233720 /nfs/dbraw/zinc/23/37/20/1429233720.db2.gz ULJPYWNXPXAAFU-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CCC2CCCCC2)cc1 ZINC001713470862 1418138775 /nfs/dbraw/zinc/13/87/75/1418138775.db2.gz QRXVDSASBWDYME-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CCC1CCCC1 ZINC001713496237 1418205236 /nfs/dbraw/zinc/20/52/36/1418205236.db2.gz NSDHIMKQGPAPTR-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CCC(C)CC1)C1CC1 ZINC001713566356 1418377816 /nfs/dbraw/zinc/37/78/16/1418377816.db2.gz VFACGPHZMORAOW-AFMYVXGZSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(F)cc1 ZINC001713690364 1418443842 /nfs/dbraw/zinc/44/38/42/1418443842.db2.gz NMPLGPGPQLUGNK-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001713699835 1418456751 /nfs/dbraw/zinc/45/67/51/1418456751.db2.gz ZLHLZJUSMNMPHT-NSISKUIASA-N 2 0 345.531 3.307 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001713703370 1418462337 /nfs/dbraw/zinc/46/23/37/1418462337.db2.gz AXTKLJHHHRQIMH-FQEVSTJZSA-N 2 0 343.515 3.276 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001713749863 1418550612 /nfs/dbraw/zinc/55/06/12/1418550612.db2.gz NLLAHZVIQNLZTI-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](CC)CC ZINC001713830919 1418629428 /nfs/dbraw/zinc/62/94/28/1418629428.db2.gz FXXXKDGGXYTNLW-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001713879700 1418675607 /nfs/dbraw/zinc/67/56/07/1418675607.db2.gz HRQZICZAEDDJDY-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713896847 1418694936 /nfs/dbraw/zinc/69/49/36/1418694936.db2.gz LBSJXIBGRNBMCF-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001713908855 1418705874 /nfs/dbraw/zinc/70/58/74/1418705874.db2.gz ZZPHCHQHZGBEHY-XAMMNGJPSA-N 2 0 345.531 3.035 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714006281 1418785772 /nfs/dbraw/zinc/78/57/72/1418785772.db2.gz KMXLGPMAWYEGKH-OVKVCFKUSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)[NH+](CC)CC ZINC001714042915 1418833611 /nfs/dbraw/zinc/83/36/11/1418833611.db2.gz JBCZTVJPCCCLHF-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714116553 1418919291 /nfs/dbraw/zinc/91/92/91/1418919291.db2.gz OLKJXXFZUAHYCU-VZSQWMKGSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240390 1419028950 /nfs/dbraw/zinc/02/89/50/1419028950.db2.gz KQQWSHVHFNJIJJ-XLIONFOSSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714274907 1419055462 /nfs/dbraw/zinc/05/54/62/1419055462.db2.gz XBSYMCDNFGMUEB-ZWKOTPCHSA-N 2 0 347.547 3.437 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC=C(C)C ZINC001733202631 1429307850 /nfs/dbraw/zinc/30/78/50/1429307850.db2.gz WLKWLMUWIUEYKD-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001714420801 1419156748 /nfs/dbraw/zinc/15/67/48/1419156748.db2.gz UYPATVMQQSROAP-KRWDZBQOSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CCC(C)CC3)CCCC2)C1 ZINC001714505843 1419232806 /nfs/dbraw/zinc/23/28/06/1419232806.db2.gz VZEVGJXGZUVZFW-JLAWEPINSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1csc(C)c1 ZINC001714594261 1419344091 /nfs/dbraw/zinc/34/40/91/1419344091.db2.gz KMPZYNJUEFOYRK-QZTJIDSGSA-N 2 0 349.544 3.012 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001714615809 1419377940 /nfs/dbraw/zinc/37/79/40/1419377940.db2.gz MQFFICMLTQNZBA-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714622761 1419390118 /nfs/dbraw/zinc/39/01/18/1419390118.db2.gz MYPGBEQKMBNBES-RBUKOAKNSA-N 2 0 349.494 3.198 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001714637940 1419409722 /nfs/dbraw/zinc/40/97/22/1419409722.db2.gz ZQRNXQAGZUEEMT-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[NH+](CCC2CCCCCC2)C2CC2)C1 ZINC001714672356 1419462951 /nfs/dbraw/zinc/46/29/51/1419462951.db2.gz BARLGIXWIATANI-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001714676311 1419468548 /nfs/dbraw/zinc/46/85/48/1419468548.db2.gz PJXBZVAUMWMVGD-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714751726 1419493979 /nfs/dbraw/zinc/49/39/79/1419493979.db2.gz PRGHDFCDSPJYGG-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CN(CC[NH2+]CCC1CCCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001714797743 1419513558 /nfs/dbraw/zinc/51/35/58/1419513558.db2.gz NXYAODHJSFWAOC-UHFFFAOYSA-N 2 0 337.552 3.271 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001714811102 1419521908 /nfs/dbraw/zinc/52/19/08/1419521908.db2.gz QWXDVNXGEWMQOF-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001714831612 1419541507 /nfs/dbraw/zinc/54/15/07/1419541507.db2.gz SPCIAOIIQDLPTA-OALUTQOASA-N 2 0 337.552 3.290 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714860969 1419582398 /nfs/dbraw/zinc/58/23/98/1419582398.db2.gz ASXMJBFUMPGFPW-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714865404 1419590989 /nfs/dbraw/zinc/59/09/89/1419590989.db2.gz KLSRDQQYIPCVHV-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001714873701 1419606727 /nfs/dbraw/zinc/60/67/27/1419606727.db2.gz QMDFZGBZIGQCJB-PKOBYXMFSA-N 2 0 331.504 3.012 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001714876677 1419611184 /nfs/dbraw/zinc/61/11/84/1419611184.db2.gz MXEMXPFMSULDHV-IHPCNDPISA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001714935655 1419684264 /nfs/dbraw/zinc/68/42/64/1419684264.db2.gz BZCOWZLZGLFPFV-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001714978435 1419713527 /nfs/dbraw/zinc/71/35/27/1419713527.db2.gz KQRLDOYFGZZWKQ-LPHOPBHVSA-N 2 0 337.552 3.029 10 0 EGAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001715047854 1419788480 /nfs/dbraw/zinc/78/84/80/1419788480.db2.gz UANKBNRBBCOKFY-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001715050417 1419791791 /nfs/dbraw/zinc/79/17/91/1419791791.db2.gz YRUULEWHYZTZLR-DLBZAZTESA-N 2 0 349.494 3.150 10 0 EGAERP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CC1=CCCCC1 ZINC001715064114 1419801906 /nfs/dbraw/zinc/80/19/06/1419801906.db2.gz FXIIWNLNVNEQKW-QGZVFWFLSA-N 2 0 340.471 3.241 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001715071192 1419806064 /nfs/dbraw/zinc/80/60/64/1419806064.db2.gz IZWCOWNVNHDXGP-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)cc1 ZINC001715071195 1419806252 /nfs/dbraw/zinc/80/62/52/1419806252.db2.gz IZWCOWNVNHDXGP-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001733234226 1429370812 /nfs/dbraw/zinc/37/08/12/1429370812.db2.gz PIGXUSFXPMLPFB-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1)c1cccc(F)c1 ZINC001715103587 1419845029 /nfs/dbraw/zinc/84/50/29/1419845029.db2.gz NBUYVQVVKCQMDB-MRXNPFEDSA-N 2 0 347.478 3.001 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001715142555 1419889571 /nfs/dbraw/zinc/88/95/71/1419889571.db2.gz JYBGRNBPYYNBFS-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715154035 1419897657 /nfs/dbraw/zinc/89/76/57/1419897657.db2.gz MRFNKPWRIIHETM-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[NH2+]CCC1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001715172404 1419909266 /nfs/dbraw/zinc/90/92/66/1419909266.db2.gz WJTZDHJMPPWZBL-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001715177981 1419913450 /nfs/dbraw/zinc/91/34/50/1419913450.db2.gz KRQOMVZJXFDSOG-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001715189533 1419921748 /nfs/dbraw/zinc/92/17/48/1419921748.db2.gz HMXCZUPGJPCUPS-DTGBZTBESA-N 2 0 349.563 3.480 10 0 EGAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CCCCCC1 ZINC001715236376 1419967477 /nfs/dbraw/zinc/96/74/77/1419967477.db2.gz PRXVOFTUGHUVPI-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001715272043 1419987459 /nfs/dbraw/zinc/98/74/59/1419987459.db2.gz LLGSDNCTGUNFDR-IAGOWNOFSA-N 2 0 325.541 3.029 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001715305820 1420014494 /nfs/dbraw/zinc/01/44/94/1420014494.db2.gz YYXPOYVWDGORSF-ZWKOTPCHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001715391152 1420088477 /nfs/dbraw/zinc/08/84/77/1420088477.db2.gz ZLDQWIBQYFDXKI-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715395306 1420092915 /nfs/dbraw/zinc/09/29/15/1420092915.db2.gz XCXHGSCSBHFICP-LJQANCHMSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715469149 1420147956 /nfs/dbraw/zinc/14/79/56/1420147956.db2.gz DRVOPHUTGPQNDF-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[N@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001715479609 1420158380 /nfs/dbraw/zinc/15/83/80/1420158380.db2.gz HZSWNQWNJAMENV-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CCC(CC)C[N@H+](C)CCC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001715486220 1420167740 /nfs/dbraw/zinc/16/77/40/1420167740.db2.gz XUHKUVUZXURNRL-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001715526803 1420215808 /nfs/dbraw/zinc/21/58/08/1420215808.db2.gz AYWRZUQAUUUONW-SFHVURJKSA-N 2 0 345.531 3.321 10 0 EGAERP CC(C)c1ccccc1C[N@H+](C)CCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001715536080 1420230735 /nfs/dbraw/zinc/23/07/35/1420230735.db2.gz HXNFGRDXWRBLDY-SFHVURJKSA-N 2 0 345.531 3.042 10 0 EGAERP CCc1cccc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001715539926 1420237953 /nfs/dbraw/zinc/23/79/53/1420237953.db2.gz RAHHREUBTYDYBR-QZTJIDSGSA-N 2 0 345.531 3.012 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001715557640 1420250998 /nfs/dbraw/zinc/25/09/98/1420250998.db2.gz DRKOCVUMGZPOTO-WOJBJXKFSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715624780 1420270160 /nfs/dbraw/zinc/27/01/60/1420270160.db2.gz XKTLKABUTOFDKV-VQTJNVASSA-N 2 0 349.563 3.480 10 0 EGAERP CC[C@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001715884663 1420382556 /nfs/dbraw/zinc/38/25/56/1420382556.db2.gz INKNKHXSNHYAPS-DUIUGDAFSA-N 2 0 343.515 3.132 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916497 1420395770 /nfs/dbraw/zinc/39/57/70/1420395770.db2.gz YDEZQMYAZLTAER-LIMHQNJXSA-N 2 0 347.478 3.025 10 0 EGAERP Cc1cccn2cc(CC(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)nc12 ZINC001715998104 1420452109 /nfs/dbraw/zinc/45/21/09/1420452109.db2.gz QMALFMTYDGKKLM-INIZCTEOSA-N 2 0 344.503 3.106 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC2CC2)c1 ZINC001716076114 1420530302 /nfs/dbraw/zinc/53/03/02/1420530302.db2.gz WGACRUICWIMSQT-VQTJNVASSA-N 2 0 343.515 3.036 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001716168194 1420549086 /nfs/dbraw/zinc/54/90/86/1420549086.db2.gz BRVJZXLIZJQEEO-QZTJIDSGSA-N 2 0 345.531 3.191 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716221485 1420570885 /nfs/dbraw/zinc/57/08/85/1420570885.db2.gz VNBMSRJJBFMPPD-FQEVSTJZSA-N 2 0 343.515 3.032 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001716226759 1420572340 /nfs/dbraw/zinc/57/23/40/1420572340.db2.gz PSMKEWAQEFOPJB-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716243474 1420579050 /nfs/dbraw/zinc/57/90/50/1420579050.db2.gz HAOOAADFQYHNQN-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCCC1CCCC1)C12CCC[NH+](CCC1)C2 ZINC001716309683 1420599939 /nfs/dbraw/zinc/59/99/39/1420599939.db2.gz HENZCJQIWUTLAX-ONEGZZNKSA-N 2 0 347.547 3.095 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001716407590 1420639262 /nfs/dbraw/zinc/63/92/62/1420639262.db2.gz RQABPEJPHCQIFD-AEFFLSMTSA-N 2 0 331.504 3.106 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716437670 1420658365 /nfs/dbraw/zinc/65/83/65/1420658365.db2.gz TYQFDZDYGDAMHV-JTDRTSHGSA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001716465590 1420678056 /nfs/dbraw/zinc/67/80/56/1420678056.db2.gz DAQAKQCVBJYOBI-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001716477313 1420692832 /nfs/dbraw/zinc/69/28/32/1420692832.db2.gz FKFYTTJFEKDYDM-UXRNRCMTSA-N 2 0 343.515 3.009 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001716481571 1420698129 /nfs/dbraw/zinc/69/81/29/1420698129.db2.gz SXRXECWLCZNFGM-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001716519934 1420748600 /nfs/dbraw/zinc/74/86/00/1420748600.db2.gz IERSYLRPELXVAN-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001716691421 1420844346 /nfs/dbraw/zinc/84/43/46/1420844346.db2.gz JTGUGFSBIGDLQG-ZRHASKPBSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001716708536 1420862464 /nfs/dbraw/zinc/86/24/64/1420862464.db2.gz JJUUAZSSMKKMEO-IHWFROFDSA-N 2 0 347.547 3.186 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001716753913 1420905193 /nfs/dbraw/zinc/90/51/93/1420905193.db2.gz BCQRLWVPIHDHHI-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001716880953 1421005025 /nfs/dbraw/zinc/00/50/25/1421005025.db2.gz XQGRSZKJQACSJN-PZJWPPBQSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001716893751 1421020126 /nfs/dbraw/zinc/02/01/26/1421020126.db2.gz BNLSOSNCAYXAOD-QUCCMNQESA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001716893749 1421020265 /nfs/dbraw/zinc/02/02/65/1421020265.db2.gz BNLSOSNCAYXAOD-AZUAARDMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717007073 1421074760 /nfs/dbraw/zinc/07/47/60/1421074760.db2.gz OKMMRKYKVPNUNB-VQTJNVASSA-N 2 0 343.515 3.030 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001717038082 1421092464 /nfs/dbraw/zinc/09/24/64/1421092464.db2.gz NKUHQEZLSVVXBM-UVRCQCPESA-N 2 0 347.547 3.140 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001717145640 1421138120 /nfs/dbraw/zinc/13/81/20/1421138120.db2.gz CBIDKEIHORGDAR-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001717159415 1421149098 /nfs/dbraw/zinc/14/90/98/1421149098.db2.gz ZJSDDKXDWYKDNH-SHCNBLLESA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717216037 1421193958 /nfs/dbraw/zinc/19/39/58/1421193958.db2.gz CJTLPQCTDHILPB-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001717238145 1421206275 /nfs/dbraw/zinc/20/62/75/1421206275.db2.gz KWJJAEXLSUCHIE-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717239300 1421207647 /nfs/dbraw/zinc/20/76/47/1421207647.db2.gz GJFGFUMYSHOUAT-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001717247593 1421218959 /nfs/dbraw/zinc/21/89/59/1421218959.db2.gz KWFKOFGILRBIOL-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001733288189 1429464675 /nfs/dbraw/zinc/46/46/75/1429464675.db2.gz UNAKEVBRCCFXDI-PZJWPPBQSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717297798 1421241104 /nfs/dbraw/zinc/24/11/04/1421241104.db2.gz IVEPCFDJHDABGK-XFHJGTJQSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717297975 1421241320 /nfs/dbraw/zinc/24/13/20/1421241320.db2.gz QJMISNSEKQEXFY-HPFMTEOYSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC1(C)C)C1CCC1 ZINC001717309118 1421251552 /nfs/dbraw/zinc/25/15/52/1421251552.db2.gz FNNXBMQWSARGFB-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001717310071 1421252843 /nfs/dbraw/zinc/25/28/43/1421252843.db2.gz ZYZIMZZATDZVDU-QAZIKRLUSA-N 2 0 337.552 3.290 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCC2CCCCC2)C1 ZINC001717370148 1421308084 /nfs/dbraw/zinc/30/80/84/1421308084.db2.gz CDQRFSDALUVKFI-QUCCMNQESA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001717428578 1421358013 /nfs/dbraw/zinc/35/80/13/1421358013.db2.gz ILEJZNOLSGROFU-JKSUJKDBSA-N 2 0 333.520 3.281 10 0 EGAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CCCCCC1 ZINC001717472087 1421405147 /nfs/dbraw/zinc/40/51/47/1421405147.db2.gz IFMUQODWKVIXSE-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1CC ZINC001717473927 1421406942 /nfs/dbraw/zinc/40/69/42/1421406942.db2.gz BLSDWJJIMVFOIN-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717550661 1421488668 /nfs/dbraw/zinc/48/86/68/1421488668.db2.gz DPVSKKTXRKVUGX-FXAWDEMLSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCCCCC2)C1 ZINC001717551694 1421489629 /nfs/dbraw/zinc/48/96/29/1421489629.db2.gz XZLIHRSQAQIAPJ-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]2C1 ZINC001717624187 1421533198 /nfs/dbraw/zinc/53/31/98/1421533198.db2.gz PKHOFYHULFWLQZ-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001717652687 1421552044 /nfs/dbraw/zinc/55/20/44/1421552044.db2.gz QYTSJIAJQDAQDR-VAMGGRTRSA-N 2 0 347.547 3.236 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001717679030 1421562770 /nfs/dbraw/zinc/56/27/70/1421562770.db2.gz PRGBYFQDMXXBPV-GOSISDBHSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCC1 ZINC001717744724 1421607956 /nfs/dbraw/zinc/60/79/56/1421607956.db2.gz HKQBHRVBXVGBFZ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCC1 ZINC001717744725 1421607998 /nfs/dbraw/zinc/60/79/98/1421607998.db2.gz HKQBHRVBXVGBFZ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001717841845 1421656701 /nfs/dbraw/zinc/65/67/01/1421656701.db2.gz VWURNJNSORIHPO-HTJOGQSXSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC001717842701 1421657901 /nfs/dbraw/zinc/65/79/01/1421657901.db2.gz TZTWTZVFFKHPCP-CMKODMSKSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC001717902656 1421698673 /nfs/dbraw/zinc/69/86/73/1421698673.db2.gz CKIDPWPKOAOIDO-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC(C)CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001717946171 1421711105 /nfs/dbraw/zinc/71/11/05/1421711105.db2.gz PFNJBZVOTNWAQS-ACBHZAAOSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717959770 1421731445 /nfs/dbraw/zinc/73/14/45/1421731445.db2.gz RFZFGHCJYGRWHW-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733342332 1429525609 /nfs/dbraw/zinc/52/56/09/1429525609.db2.gz TZXABIBLMKZNED-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001733379421 1429563516 /nfs/dbraw/zinc/56/35/16/1429563516.db2.gz FNVFYPYCBQJSBR-RTLBZRNLSA-N 2 0 347.547 3.236 10 0 EGAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001733451891 1429664582 /nfs/dbraw/zinc/66/45/82/1429664582.db2.gz UDNHEFFBLRCRNF-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001733463610 1429693057 /nfs/dbraw/zinc/69/30/57/1429693057.db2.gz BVFJHTCLYBWKDR-PXNSSMCTSA-N 2 0 348.535 3.243 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001733465525 1429698217 /nfs/dbraw/zinc/69/82/17/1429698217.db2.gz MNKWVQCEJOOXSO-TZIWHRDSSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CCC[NH2+]Cc1ccccc1F)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001723021359 1424288917 /nfs/dbraw/zinc/28/89/17/1424288917.db2.gz AJWDJDMCODZOHL-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001723040813 1424292041 /nfs/dbraw/zinc/29/20/41/1424292041.db2.gz YISXQLDIYJKIPK-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001723376559 1424376675 /nfs/dbraw/zinc/37/66/75/1424376675.db2.gz HANLOXWSPXXHBO-QUCCMNQESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001723376557 1424376909 /nfs/dbraw/zinc/37/69/09/1424376909.db2.gz HANLOXWSPXXHBO-AZUAARDMSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCCCC1 ZINC001723461774 1424420200 /nfs/dbraw/zinc/42/02/00/1424420200.db2.gz PNWTYTRJOHOQPN-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001724222042 1424740364 /nfs/dbraw/zinc/74/03/64/1424740364.db2.gz FCDWLFOHZBUMSO-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724222869 1424741494 /nfs/dbraw/zinc/74/14/94/1424741494.db2.gz MFVGBRFVTRJFGU-TZIWHRDSSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC001724342913 1424840415 /nfs/dbraw/zinc/84/04/15/1424840415.db2.gz FMNVBMPTPPXPES-ICSRJNTNSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724532954 1424897586 /nfs/dbraw/zinc/89/75/86/1424897586.db2.gz GIZZYFHUNMDKJP-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001724603146 1424934920 /nfs/dbraw/zinc/93/49/20/1424934920.db2.gz MPVAKCBPWMLXGY-ACDBMABISA-N 2 0 347.547 3.044 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001724659344 1425034144 /nfs/dbraw/zinc/03/41/44/1425034144.db2.gz YBBJPFUKKFMZJH-KSZLIROESA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001724751647 1425121745 /nfs/dbraw/zinc/12/17/45/1425121745.db2.gz SXJLYFSHBARXHX-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)CC2 ZINC001724760549 1425131808 /nfs/dbraw/zinc/13/18/08/1425131808.db2.gz XNGGEEMOQNQVFZ-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP O=C(NCC1([NH2+]CC2=CCCCC2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001724797070 1425165341 /nfs/dbraw/zinc/16/53/41/1425165341.db2.gz PZURJRUIUQANDV-OALUTQOASA-N 2 0 345.531 3.132 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001724846484 1425198463 /nfs/dbraw/zinc/19/84/63/1425198463.db2.gz VHNSPUADJIPDPS-XSXCZSQGSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001724924262 1425314615 /nfs/dbraw/zinc/31/46/15/1425314615.db2.gz XOFSRWQNQZRWEZ-MRXNPFEDSA-N 2 0 331.504 3.005 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001724954891 1425340871 /nfs/dbraw/zinc/34/08/71/1425340871.db2.gz XXFOIDDHJXDPJS-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001724957884 1425344666 /nfs/dbraw/zinc/34/46/66/1425344666.db2.gz ZNYURLGEKKJEPI-DHJFXDNESA-N 2 0 347.547 3.330 10 0 EGAERP CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001724967808 1425362500 /nfs/dbraw/zinc/36/25/00/1425362500.db2.gz WJVDLLKSHOPNHI-QGZVFWFLSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001724980248 1425381806 /nfs/dbraw/zinc/38/18/06/1425381806.db2.gz SDXXXCBSAVPPTQ-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001724995143 1425399961 /nfs/dbraw/zinc/39/99/61/1425399961.db2.gz JPSBGTNSPICWLO-PXNSSMCTSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001725031358 1425451413 /nfs/dbraw/zinc/45/14/13/1425451413.db2.gz GZBPEVWJUALQBZ-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725058395 1425497641 /nfs/dbraw/zinc/49/76/41/1425497641.db2.gz KKGAFVNBSTWPCU-PXNSSMCTSA-N 2 0 345.531 3.331 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001725060244 1425501331 /nfs/dbraw/zinc/50/13/31/1425501331.db2.gz SNYPIHMSULSKCJ-MOPGFXCFSA-N 2 0 345.531 3.319 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001725191408 1425735516 /nfs/dbraw/zinc/73/55/16/1425735516.db2.gz UYLFGJFFQVETOI-DLBZAZTESA-N 2 0 349.494 3.027 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001725193981 1425744516 /nfs/dbraw/zinc/74/45/16/1425744516.db2.gz IJWYIRHDENYNEM-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269489 1425905348 /nfs/dbraw/zinc/90/53/48/1425905348.db2.gz SDDGQVBOJJSRKH-XLIONFOSSA-N 2 0 347.547 3.044 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001725296310 1425945013 /nfs/dbraw/zinc/94/50/13/1425945013.db2.gz HAPQOXXMEDBSCX-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725401367 1426045080 /nfs/dbraw/zinc/04/50/80/1426045080.db2.gz ZNXGFLBLNVYMKD-CABCVRRESA-N 2 0 330.476 3.177 10 0 EGAERP CCC[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001725444430 1426106472 /nfs/dbraw/zinc/10/64/72/1426106472.db2.gz GTTKQYWFTIORPC-MOPGFXCFSA-N 2 0 337.552 3.314 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001725608118 1426266023 /nfs/dbraw/zinc/26/60/23/1426266023.db2.gz CZCNHRXFBVYJDW-MMFUBXAXSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCCC(C)(C)C)CC3)CC1 ZINC001725609973 1426267747 /nfs/dbraw/zinc/26/77/47/1426267747.db2.gz IXLARCOWNODVCR-UWJYYQICSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001725618176 1426281976 /nfs/dbraw/zinc/28/19/76/1426281976.db2.gz CWARYDVLOLYVCC-SDVBZNEUSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCCC1CCCC1)CC2 ZINC001725639547 1426314875 /nfs/dbraw/zinc/31/48/75/1426314875.db2.gz UWRYFEGQVWQFBS-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001725649556 1426331943 /nfs/dbraw/zinc/33/19/43/1426331943.db2.gz HSCVXCSRCISGIA-OALUTQOASA-N 2 0 349.563 3.339 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001725676829 1426363397 /nfs/dbraw/zinc/36/33/97/1426363397.db2.gz PPXQMYWGAXFRDQ-MRUBZEKTSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001725682979 1426370206 /nfs/dbraw/zinc/37/02/06/1426370206.db2.gz NVWHHJLIYBFKKC-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001725682307 1426370692 /nfs/dbraw/zinc/37/06/92/1426370692.db2.gz QXKOIDOKMRGLGB-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001725749315 1426427345 /nfs/dbraw/zinc/42/73/45/1426427345.db2.gz ZQBMRBXUYVICDQ-QZTJIDSGSA-N 2 0 337.552 3.194 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1ccccc1F ZINC001725754770 1426434368 /nfs/dbraw/zinc/43/43/68/1426434368.db2.gz INRBATJRUSVNCI-CRAIPNDOSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001725763687 1426445842 /nfs/dbraw/zinc/44/58/42/1426445842.db2.gz GQOYOSWITISYQS-GOSISDBHSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001725767687 1426450523 /nfs/dbraw/zinc/45/05/23/1426450523.db2.gz RCXMEHLJCCGSQW-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001725771414 1426455434 /nfs/dbraw/zinc/45/54/34/1426455434.db2.gz OBJXTWVALAMCBN-ROUUACIJSA-N 2 0 345.531 3.305 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001725771415 1426455528 /nfs/dbraw/zinc/45/55/28/1426455528.db2.gz OBJXTWVALAMCBN-ZWKOTPCHSA-N 2 0 345.531 3.305 10 0 EGAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001725774146 1426457614 /nfs/dbraw/zinc/45/76/14/1426457614.db2.gz DPARAPGNGAAYTF-ROUUACIJSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001731239499 1427196332 /nfs/dbraw/zinc/19/63/32/1427196332.db2.gz ANIJDRQZUANJDP-AZUAARDMSA-N 2 0 345.531 3.367 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001731445705 1427423143 /nfs/dbraw/zinc/42/31/43/1427423143.db2.gz XDCCXMLXCUELQP-GUDVDZBRSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001731466912 1427445219 /nfs/dbraw/zinc/44/52/19/1427445219.db2.gz OPXGPBXWPHDYGC-YQQQUEKLSA-N 2 0 335.536 3.019 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC(C)C)C1 ZINC001731507946 1427496240 /nfs/dbraw/zinc/49/62/40/1427496240.db2.gz XSOXHNNJUXVAPT-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731521311 1427509778 /nfs/dbraw/zinc/50/97/78/1427509778.db2.gz HAFUXMHNYORBQY-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001731617389 1427664843 /nfs/dbraw/zinc/66/48/43/1427664843.db2.gz QGUULBNJADENIS-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001731617393 1427665607 /nfs/dbraw/zinc/66/56/07/1427665607.db2.gz QGUULBNJADENIS-IRXDYDNUSA-N 2 0 325.541 3.029 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001731694756 1427743879 /nfs/dbraw/zinc/74/38/79/1427743879.db2.gz MDOKASRGNVVPAE-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731702065 1427754764 /nfs/dbraw/zinc/75/47/64/1427754764.db2.gz KCZDOOYTUUWTBB-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001731854094 1428086152 /nfs/dbraw/zinc/08/61/52/1428086152.db2.gz CBJYOMNRNOAJAS-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001733681568 1429891786 /nfs/dbraw/zinc/89/17/86/1429891786.db2.gz FOQRYUGJOCVUHI-PXNSSMCTSA-N 2 0 345.531 3.484 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)C1 ZINC001733689511 1429905273 /nfs/dbraw/zinc/90/52/73/1429905273.db2.gz DDWBSVUFCZIUSD-BZSNNMDCSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001733719893 1429940677 /nfs/dbraw/zinc/94/06/77/1429940677.db2.gz GTYFQMSNEAMAPP-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)[NH+]1CCCC1 ZINC001733728207 1429957289 /nfs/dbraw/zinc/95/72/89/1429957289.db2.gz NBMVYUCNIRZKCQ-IBGZPJMESA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CCC1 ZINC001733728386 1429958432 /nfs/dbraw/zinc/95/84/32/1429958432.db2.gz UFXNQCPJNDYBES-UHFFFAOYSA-N 2 0 343.515 3.033 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733803457 1430071082 /nfs/dbraw/zinc/07/10/82/1430071082.db2.gz XYYKRLLIOPGVPW-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733806474 1430077540 /nfs/dbraw/zinc/07/75/40/1430077540.db2.gz OAUHGRYPIBWPKX-QZTJIDSGSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001733854095 1437687866 /nfs/dbraw/zinc/68/78/66/1437687866.db2.gz OBSILDKFABBPFB-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001733896848 1437714430 /nfs/dbraw/zinc/71/44/30/1437714430.db2.gz ABXSEJYUQJYJSD-WYNBNGFRSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733929792 1437742940 /nfs/dbraw/zinc/74/29/40/1437742940.db2.gz KBQHCWKVVOOBQY-FNYRVFDFSA-N 2 0 335.536 3.138 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733938009 1437753128 /nfs/dbraw/zinc/75/31/28/1437753128.db2.gz SOWDBXRRJDVZAY-YLJYHZDGSA-N 2 0 345.531 3.331 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001733976634 1437775931 /nfs/dbraw/zinc/77/59/31/1437775931.db2.gz SLBYNZPRACXJMI-LSDHHAIUSA-N 2 0 349.544 3.407 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001733977791 1437776645 /nfs/dbraw/zinc/77/66/45/1437776645.db2.gz IDFKASKGMIYQNL-CABCVRRESA-N 2 0 330.476 3.175 10 0 EGAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]CC1CCCC1 ZINC001733980163 1437777598 /nfs/dbraw/zinc/77/75/98/1437777598.db2.gz BRLOVYDRFRMAAB-DLBZAZTESA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001734034223 1437822153 /nfs/dbraw/zinc/82/21/53/1437822153.db2.gz ICQCELFABLALJU-HKUYNNGSSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001734044310 1437832502 /nfs/dbraw/zinc/83/25/02/1437832502.db2.gz GWFTXISRKQXPLW-MSOLQXFVSA-N 2 0 343.515 3.060 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001734092522 1437876820 /nfs/dbraw/zinc/87/68/20/1437876820.db2.gz ORDINHHRJCETOD-UHFFFAOYSA-N 2 0 349.563 3.461 10 0 EGAERP CC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001734104452 1437890046 /nfs/dbraw/zinc/89/00/46/1437890046.db2.gz UFDWHNPBNPOHAB-CTWPCTMYSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001734150250 1437918173 /nfs/dbraw/zinc/91/81/73/1437918173.db2.gz QQGVTHQITFKUNH-HKUYNNGSSA-N 2 0 345.531 3.143 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001734197270 1437938303 /nfs/dbraw/zinc/93/83/03/1437938303.db2.gz OOECGPWKAYBJHT-VJIACCKLSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1)[NH+](CC)CC ZINC001734198552 1437940058 /nfs/dbraw/zinc/94/00/58/1437940058.db2.gz OENQWHIRKXMGRC-SESVDKBCSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H](CCC[NH2+]CCC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734230028 1437950852 /nfs/dbraw/zinc/95/08/52/1437950852.db2.gz RAXHDAFTDADBER-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734234721 1437951672 /nfs/dbraw/zinc/95/16/72/1437951672.db2.gz RRVBOAVHZDTSCN-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001734260963 1437977764 /nfs/dbraw/zinc/97/77/64/1437977764.db2.gz MCQAGJKGFQCIBN-MSOLQXFVSA-N 2 0 343.515 3.026 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001734285446 1438013370 /nfs/dbraw/zinc/01/33/70/1438013370.db2.gz SQYYSMLNVDOFKU-ICSRJNTNSA-N 2 0 345.531 3.498 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001734331369 1438054802 /nfs/dbraw/zinc/05/48/02/1438054802.db2.gz MONZBTYISOQCFX-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001734339233 1438060183 /nfs/dbraw/zinc/06/01/83/1438060183.db2.gz LSJOZKPOZNBGPP-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734353738 1438071577 /nfs/dbraw/zinc/07/15/77/1438071577.db2.gz CNMPUQFHFLJLJX-KRWDZBQOSA-N 2 0 345.531 3.016 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H]1C ZINC001734403464 1438083736 /nfs/dbraw/zinc/08/37/36/1438083736.db2.gz GVOVGYBMXUDKJT-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CCCc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001734425566 1438091330 /nfs/dbraw/zinc/09/13/30/1438091330.db2.gz BYEQWPXZIGCYKI-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001734426250 1438091596 /nfs/dbraw/zinc/09/15/96/1438091596.db2.gz LCDMZDPXQDPXAZ-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734476474 1438125488 /nfs/dbraw/zinc/12/54/88/1438125488.db2.gz NWJOFYCQGMVBQT-ZWKOTPCHSA-N 2 0 349.563 3.480 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001734477805 1438126112 /nfs/dbraw/zinc/12/61/12/1438126112.db2.gz REPLJTGXGFOSHK-IAGOWNOFSA-N 2 0 342.487 3.321 10 0 EGAERP CCCC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001734498000 1438133377 /nfs/dbraw/zinc/13/33/77/1438133377.db2.gz GUJQGHOOBWAWLA-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)N(CC[N@@H+](C)CC[C@H](C)F)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001734554741 1438154109 /nfs/dbraw/zinc/15/41/09/1438154109.db2.gz ZLSVUGBZNPNZQC-KRWDZBQOSA-N 2 0 343.531 3.024 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001734576868 1438169693 /nfs/dbraw/zinc/16/96/93/1438169693.db2.gz PWOLRECCYQKMAE-ROUUACIJSA-N 2 0 337.552 3.194 10 0 EGAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734579666 1438171993 /nfs/dbraw/zinc/17/19/93/1438171993.db2.gz HQEQXGKSFLLJBU-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734587165 1438177014 /nfs/dbraw/zinc/17/70/14/1438177014.db2.gz HQEQXGKSFLLJBU-ROUUACIJSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001734611764 1438187171 /nfs/dbraw/zinc/18/71/71/1438187171.db2.gz LERDGSVMVUBBOQ-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001750929388 1440112480 /nfs/dbraw/zinc/11/24/80/1440112480.db2.gz NXHWKROJEIWYAD-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CN1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000340289022 283058804 /nfs/dbraw/zinc/05/88/04/283058804.db2.gz UBGJVXPZDVPDMW-RTBURBONSA-N 2 0 337.458 3.176 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)cc1Br ZINC000045664010 204328213 /nfs/dbraw/zinc/32/82/13/204328213.db2.gz ADTAHPCVZBUABP-GFCCVEGCSA-N 2 0 329.282 3.450 10 0 EGAERP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC[C@@H]1O ZINC000159178050 206229120 /nfs/dbraw/zinc/22/91/20/206229120.db2.gz FRZCKBWMCVKXHL-LEWJYISDSA-N 2 0 330.516 3.224 10 0 EGAERP C[C@@H](CCn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000158836722 206212588 /nfs/dbraw/zinc/21/25/88/206212588.db2.gz WKVNCYCMCYORLU-XSLAUPDRSA-N 2 0 338.499 3.447 10 0 EGAERP C[C@]1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC[C@H]1O ZINC000159178315 206229700 /nfs/dbraw/zinc/22/97/00/206229700.db2.gz FRZCKBWMCVKXHL-NHCUHLMSSA-N 2 0 330.516 3.224 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000337841358 141064943 /nfs/dbraw/zinc/06/49/43/141064943.db2.gz ZMINMUQVXJOBEP-UHFFFAOYSA-N 2 0 332.517 3.360 10 0 EGAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000341259882 141145691 /nfs/dbraw/zinc/14/56/91/141145691.db2.gz LRDPOZKDYYLJTL-HOTGVXAUSA-N 2 0 332.492 3.133 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000342809160 141149650 /nfs/dbraw/zinc/14/96/50/141149650.db2.gz HPALZTWXQGWXCN-HXUWFJFHSA-N 2 0 343.515 3.032 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353461655 141302357 /nfs/dbraw/zinc/30/23/57/141302357.db2.gz NALDFXJOCGGOLM-NJYVYQBISA-N 2 0 346.515 3.202 10 0 EGAERP C[NH+](C)CC1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCCC1 ZINC000185081902 144104419 /nfs/dbraw/zinc/10/44/19/144104419.db2.gz WDIRTUFDRKTEQD-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP CC(C)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000341061504 155131337 /nfs/dbraw/zinc/13/13/37/155131337.db2.gz OVCAUUPCIZSZQB-FQEVSTJZSA-N 2 0 343.515 3.106 10 0 EGAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000349131035 156363000 /nfs/dbraw/zinc/36/30/00/156363000.db2.gz PGKAWNRDSOHCLZ-QGZVFWFLSA-N 2 0 342.512 3.369 10 0 EGAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CCc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000365670168 157213020 /nfs/dbraw/zinc/21/30/20/157213020.db2.gz WDFIIHNJCHUTOA-NRFANRHFSA-N 2 0 343.559 3.238 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCOCC2 ZINC000249016680 163051785 /nfs/dbraw/zinc/05/17/85/163051785.db2.gz PTRYSTZFFWGUDH-WOJBJXKFSA-N 2 0 346.515 3.202 10 0 EGAERP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249037908 163051921 /nfs/dbraw/zinc/05/19/21/163051921.db2.gz TXDABKQBUXVBSV-WHZJULEDSA-N 2 0 328.500 3.323 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346148196 164349720 /nfs/dbraw/zinc/34/97/20/164349720.db2.gz WLEMSIDYXJFKAG-UHFFFAOYSA-N 3 0 341.503 3.130 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccncc2)CC1 ZINC000350395677 165040096 /nfs/dbraw/zinc/04/00/96/165040096.db2.gz VCRLBPLSUCOBJF-UHFFFAOYSA-N 2 0 338.499 3.246 10 0 EGAERP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350945733 165084930 /nfs/dbraw/zinc/08/49/30/165084930.db2.gz AGQQZDOWQRSLPI-IAGOWNOFSA-N 2 0 343.515 3.016 10 0 EGAERP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000351663596 165122674 /nfs/dbraw/zinc/12/26/74/165122674.db2.gz FWQIKXOPBGKEHX-SFHVURJKSA-N 2 0 338.499 3.395 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352095780 165233754 /nfs/dbraw/zinc/23/37/54/165233754.db2.gz ASSXBHPFNQNHEV-UHFFFAOYSA-N 2 0 326.488 3.297 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353669789 165853193 /nfs/dbraw/zinc/85/31/93/165853193.db2.gz FFGGMRVRTJIQJE-UHFFFAOYSA-N 2 0 341.293 3.420 10 0 EGAERP c1c(C[NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1cccnc1 ZINC000355207001 166133486 /nfs/dbraw/zinc/13/34/86/166133486.db2.gz WNOQDXXJEZAIER-GOSISDBHSA-N 2 0 347.466 3.083 10 0 EGAERP CC1CCC([NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000355910346 166345093 /nfs/dbraw/zinc/34/50/93/166345093.db2.gz WANUOYZKZFUVIW-KITAHSCOSA-N 2 0 341.543 3.457 10 0 EGAERP COc1cc2c(NC[C@]3([NH+](C)C)CCSC3)cc[nH+]c2cc1F ZINC000359548332 167188658 /nfs/dbraw/zinc/18/86/58/167188658.db2.gz ROTXWGPKNAMEDC-QGZVFWFLSA-N 2 0 335.448 3.232 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000367585585 168245109 /nfs/dbraw/zinc/24/51/09/168245109.db2.gz DQSQSESIQPPARG-CEXWTWQISA-N 2 0 328.504 3.034 10 0 EGAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275584826 267385760 /nfs/dbraw/zinc/38/57/60/267385760.db2.gz NZABCJOFNGQZBC-ZIBCJSCZSA-N 2 0 328.500 3.290 10 0 EGAERP Cc1nc(F)ccc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000278502469 268026935 /nfs/dbraw/zinc/02/69/35/268026935.db2.gz NVKPAYOIZWSHBJ-UHFFFAOYSA-N 2 0 331.435 3.149 10 0 EGAERP CCCN(CC[NH+]1CCCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000287169519 276091879 /nfs/dbraw/zinc/09/18/79/276091879.db2.gz GXMZVCNCTLYQBK-UHFFFAOYSA-N 2 0 343.515 3.230 10 0 EGAERP FC(F)(F)[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000287788898 276157266 /nfs/dbraw/zinc/15/72/66/276157266.db2.gz SPTHVWGBBLYQAZ-SJORKVTESA-N 2 0 342.405 3.482 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000353456982 277169715 /nfs/dbraw/zinc/16/97/15/277169715.db2.gz XOVRBXDNPYNCBT-PCCBWWKXSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414303599 309071642 /nfs/dbraw/zinc/07/16/42/309071642.db2.gz LSBNBPRNHBZYKI-AQNXPRMDSA-N 2 0 328.500 3.182 10 0 EGAERP C[C@@H](CCC(F)(F)F)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311462 309072246 /nfs/dbraw/zinc/07/22/46/309072246.db2.gz VBEFLOXTAKRFSR-HNNXBMFYSA-N 2 0 344.421 3.334 10 0 EGAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414327079 309073095 /nfs/dbraw/zinc/07/30/95/309073095.db2.gz BETJWCVHCUTJAB-CDJZJNNCSA-N 2 0 342.527 3.428 10 0 EGAERP C[N@H+](C[C@@H](O)C1CCCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249032519 308017341 /nfs/dbraw/zinc/01/73/41/308017341.db2.gz FKXAEAJWXROPLE-TZIWHRDSSA-N 2 0 330.516 3.382 10 0 EGAERP C[C@@H]([NH3+])[C@@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414708044 309096431 /nfs/dbraw/zinc/09/64/31/309096431.db2.gz IFYMLQXSMXXFGM-HUUCEWRRSA-N 2 0 332.492 3.308 10 0 EGAERP C[C@H]1[C@@H]([NH3+])CCN1C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414717260 309097169 /nfs/dbraw/zinc/09/71/69/309097169.db2.gz UBWGCLFIPACIPT-YJBOKZPZSA-N 2 0 344.503 3.405 10 0 EGAERP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400502826 308907652 /nfs/dbraw/zinc/90/76/52/308907652.db2.gz HEFKQPQLXIWYRA-JKSUJKDBSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414865622 309106334 /nfs/dbraw/zinc/10/63/34/309106334.db2.gz ZHHCWZLLMOOVTF-VZHSDHNVSA-N 2 0 327.516 3.160 10 0 EGAERP CCC[C@@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415048932 309116514 /nfs/dbraw/zinc/11/65/14/309116514.db2.gz GQUYSKOQXOPXAN-KBWCOIMZSA-N 2 0 329.532 3.204 10 0 EGAERP C[C@H](C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000415050911 309116602 /nfs/dbraw/zinc/11/66/02/309116602.db2.gz DVXYKEPDFCLGNG-XJKCOSOUSA-N 2 0 325.294 3.469 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415129445 309122472 /nfs/dbraw/zinc/12/24/72/309122472.db2.gz UXVBGAYGAHWCSV-OALUTQOASA-N 2 0 332.488 3.030 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415994813 309153668 /nfs/dbraw/zinc/15/36/68/309153668.db2.gz ISTMLNDYTWLCPB-HNNXBMFYSA-N 2 0 330.476 3.066 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369814 309284657 /nfs/dbraw/zinc/28/46/57/309284657.db2.gz JASUVVIQBIQINH-FQELHTAISA-N 2 0 340.467 3.062 10 0 EGAERP C[NH+]1CCN(c2ncccc2C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421326639 309318580 /nfs/dbraw/zinc/31/85/80/309318580.db2.gz OJTLXWDGKBBLND-UHFFFAOYSA-N 2 0 328.504 3.036 10 0 EGAERP CON1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000421408390 309323501 /nfs/dbraw/zinc/32/35/01/309323501.db2.gz KWCABHZMMQYZSO-UHFFFAOYSA-N 2 0 325.541 3.281 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711632 309364232 /nfs/dbraw/zinc/36/42/32/309364232.db2.gz HFNPSHYGZHZGRM-NXWXRZEISA-N 2 0 347.572 3.395 10 0 EGAERP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422750100 309366376 /nfs/dbraw/zinc/36/63/76/309366376.db2.gz CEEQWOZKLYASRW-DWLFOUALSA-N 2 0 334.463 3.389 10 0 EGAERP COc1ccc([C@H](NCC[NH+](C(C)C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422767133 309367294 /nfs/dbraw/zinc/36/72/94/309367294.db2.gz YDLFCLDWIBCWKM-UXHICEINSA-N 2 0 333.520 3.197 10 0 EGAERP CC[NH+]1CCC(CCN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422795047 309368628 /nfs/dbraw/zinc/36/86/28/309368628.db2.gz ZMQWANUWDOYWRM-RTWAWAEBSA-N 2 0 345.531 3.200 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422818254 309370079 /nfs/dbraw/zinc/37/00/79/309370079.db2.gz FUPILCVWGROANO-ZDUSSCGKSA-N 2 0 341.455 3.206 10 0 EGAERP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818904 309370246 /nfs/dbraw/zinc/37/02/46/309370246.db2.gz HJMLQAHQACNUMC-QHAWAJNXSA-N 2 0 338.499 3.315 10 0 EGAERP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(OC[C@H]2CCOC2)c1 ZINC000422861095 309372408 /nfs/dbraw/zinc/37/24/08/309372408.db2.gz IYGWESDCMYRGBY-HFCFLWKCSA-N 2 0 332.488 3.017 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903969 309375367 /nfs/dbraw/zinc/37/53/67/309375367.db2.gz GEJDFMRAQUBXNA-KHYOSLBOSA-N 2 0 337.458 3.036 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000422912851 309375742 /nfs/dbraw/zinc/37/57/42/309375742.db2.gz XBEBIGIQSRDICS-GPANFISMSA-N 2 0 337.458 3.036 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000422923226 309376203 /nfs/dbraw/zinc/37/62/03/309376203.db2.gz VIYSGEAQWJRPPS-WWVJOHPTSA-N 2 0 325.456 3.453 10 0 EGAERP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974385 309379162 /nfs/dbraw/zinc/37/91/62/309379162.db2.gz DWJQSTOJEGSMPV-XLIONFOSSA-N 2 0 332.488 3.163 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995717 309379920 /nfs/dbraw/zinc/37/99/20/309379920.db2.gz YWAUFWGZMQFTCO-UAGQMJEPSA-N 2 0 344.421 3.106 10 0 EGAERP CN1CC[C@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423009786 309380846 /nfs/dbraw/zinc/38/08/46/309380846.db2.gz DWOUTRAHNXBBQA-GPDROORESA-N 2 0 339.886 3.331 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033671 309381979 /nfs/dbraw/zinc/38/19/79/309381979.db2.gz ZPCRZRFPAVLKGL-HKUYNNGSSA-N 2 0 347.890 3.362 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423045227 309382733 /nfs/dbraw/zinc/38/27/33/309382733.db2.gz CPILCEMDVJTKDB-WJPUGNRLSA-N 2 0 338.499 3.020 10 0 EGAERP Clc1cccc2c1CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423053918 309383425 /nfs/dbraw/zinc/38/34/25/309383425.db2.gz BGMPALPFKUSCRY-MISYRCLQSA-N 2 0 347.934 3.208 10 0 EGAERP CC[C@@H]([NH2+][C@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058403 309383574 /nfs/dbraw/zinc/38/35/74/309383574.db2.gz CBUPWIAUQWQSBJ-HUUCEWRRSA-N 2 0 347.272 3.383 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093083 309385607 /nfs/dbraw/zinc/38/56/07/309385607.db2.gz FSJFIFOXWFAESN-YIKOMLBNSA-N 2 0 327.241 3.304 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2C[C@H](c3ccccc3C)C2)CC[NH2+]CC1 ZINC000423109852 309386473 /nfs/dbraw/zinc/38/64/73/309386473.db2.gz VEUWFCFBAFLNAY-KZNAEPCWSA-N 2 0 344.499 3.152 10 0 EGAERP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423143591 309388106 /nfs/dbraw/zinc/38/81/06/309388106.db2.gz XLXWJPKMJPTISV-AHRSYUTCSA-N 2 0 333.520 3.198 10 0 EGAERP C[C@H](NCC1([NH3+])CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423207602 309390439 /nfs/dbraw/zinc/39/04/39/309390439.db2.gz XQHBRAWKKLZSLK-KRWDZBQOSA-N 2 0 333.520 3.329 10 0 EGAERP CCC([NH3+])(CC)C[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423290256 309394141 /nfs/dbraw/zinc/39/41/41/309394141.db2.gz CNWIABVOVIZZOB-ZDUSSCGKSA-N 2 0 325.294 3.414 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423363222 309397064 /nfs/dbraw/zinc/39/70/64/309397064.db2.gz BPFODKOKCCONMV-CSMYWGQOSA-N 2 0 337.305 3.358 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423542904 309405866 /nfs/dbraw/zinc/40/58/66/309405866.db2.gz GXKAFSRLUOGVLO-RPUPUWCGSA-N 3 0 341.543 3.060 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000426708353 309513265 /nfs/dbraw/zinc/51/32/65/309513265.db2.gz IYBCNNXYYLMICN-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CC[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449090288 310036282 /nfs/dbraw/zinc/03/62/82/310036282.db2.gz GIWLLJNDLLWEPA-FPOVZHCZSA-N 2 0 343.559 3.404 10 0 EGAERP CNC(=O)C(C)(C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449209137 310044727 /nfs/dbraw/zinc/04/47/27/310044727.db2.gz RXNBBMFBOAQTPJ-UHFFFAOYSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCCC[NH+]2CCCC2)CC1 ZINC000449217654 310045380 /nfs/dbraw/zinc/04/53/80/310045380.db2.gz ATUUKJSUKIHCSB-IBGZPJMESA-N 2 0 329.532 3.158 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000449229956 310046219 /nfs/dbraw/zinc/04/62/19/310046219.db2.gz GHMVOUFIZURUFL-IBGZPJMESA-N 3 0 343.559 3.404 10 0 EGAERP COCC1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CCC1 ZINC000449306421 310052007 /nfs/dbraw/zinc/05/20/07/310052007.db2.gz LFRJGJNCKRSQFV-SFHVURJKSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488244 310066340 /nfs/dbraw/zinc/06/63/40/310066340.db2.gz FCLPDYOEFRHWLS-SJLPKXTDSA-N 2 0 326.500 3.385 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1 ZINC000449509178 310067902 /nfs/dbraw/zinc/06/79/02/310067902.db2.gz ITTWYPGQOBLADM-WZGPROSRSA-N 2 0 336.520 3.351 10 0 EGAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000449853656 310090725 /nfs/dbraw/zinc/09/07/25/310090725.db2.gz WGAUWUQZIHNCGC-WOJBJXKFSA-N 2 0 347.547 3.260 10 0 EGAERP CCc1cc(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)cc[nH+]1 ZINC000450496742 310126467 /nfs/dbraw/zinc/12/64/67/310126467.db2.gz ZFZQTRWITIRVTI-UHFFFAOYSA-N 2 0 327.394 3.283 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cn2)CC1 ZINC000453063512 310255448 /nfs/dbraw/zinc/25/54/48/310255448.db2.gz NTFOJVQUFDEXDE-NRFANRHFSA-N 2 0 342.531 3.282 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCOCC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453280646 310269059 /nfs/dbraw/zinc/26/90/59/310269059.db2.gz FYPSUNQLHRTVEO-NJYVYQBISA-N 2 0 326.484 3.366 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474460177 310794180 /nfs/dbraw/zinc/79/41/80/310794180.db2.gz LOOJAJNANLDJGI-CTNGQTDRSA-N 2 0 331.548 3.432 10 0 EGAERP CC[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684013 312215100 /nfs/dbraw/zinc/21/51/00/312215100.db2.gz OCTFYCHMMPCMQN-FPOVZHCZSA-N 2 0 329.532 3.282 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000513761396 312217315 /nfs/dbraw/zinc/21/73/15/312217315.db2.gz MWKMPDQNMPMAKJ-CBPXPLCBSA-N 2 0 343.559 3.402 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000515833701 312299938 /nfs/dbraw/zinc/29/99/38/312299938.db2.gz NNVAKUGXIYFQAV-IBGZPJMESA-N 2 0 346.515 3.156 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000516570628 312330364 /nfs/dbraw/zinc/33/03/64/312330364.db2.gz CNHQJVIGCMENLE-WFASDCNBSA-N 2 0 329.469 3.053 10 0 EGAERP CC(C)Oc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240383 313504361 /nfs/dbraw/zinc/50/43/61/313504361.db2.gz LIAKYRPNNBDTSO-LJQANCHMSA-N 2 0 332.488 3.064 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cc(C)c(O)c(C)c1 ZINC000530331002 313520402 /nfs/dbraw/zinc/52/04/02/313520402.db2.gz JYHXONRHJNEUFU-UHFFFAOYSA-N 2 0 336.439 3.230 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)CN1CC[NH+](C)CC1 ZINC000535064010 314022938 /nfs/dbraw/zinc/02/29/38/314022938.db2.gz ISXWSVPRWOBVQO-KBPBESRZSA-N 2 0 327.875 3.013 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000540606192 314392166 /nfs/dbraw/zinc/39/21/66/314392166.db2.gz HBTWHENJCNGLDE-GFCCVEGCSA-N 2 0 341.268 3.371 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CSC2(C)C)CC1 ZINC000549263167 315084158 /nfs/dbraw/zinc/08/41/58/315084158.db2.gz HXBMVHFRQMPIIE-GOSISDBHSA-N 2 0 333.545 3.202 10 0 EGAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@H]2C=CCCCCC2)CC1 ZINC000549366039 315088588 /nfs/dbraw/zinc/08/85/88/315088588.db2.gz CQYSLBLLVPXFRH-FQEVSTJZSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000552248851 315208996 /nfs/dbraw/zinc/20/89/96/315208996.db2.gz VKVBCRQOIIOEOJ-OKZBNKHCSA-N 2 0 344.499 3.198 10 0 EGAERP Cc1cnc(CC[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)c1 ZINC000563885518 316085322 /nfs/dbraw/zinc/08/53/22/316085322.db2.gz QFWSJPLJOFXAMA-UHFFFAOYSA-N 2 0 345.531 3.065 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000564168239 316119900 /nfs/dbraw/zinc/11/99/00/316119900.db2.gz LZKZOLVAFIHBRE-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP Cc1noc(CCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000570631856 317084029 /nfs/dbraw/zinc/08/40/29/317084029.db2.gz SDZGAKNHVCPAHE-GOSISDBHSA-N 2 0 340.471 3.097 10 0 EGAERP C[NH+](C)C[C@](C)(O)CNCc1ccc(-c2ccccc2)c(Cl)c1 ZINC000623470862 460567327 /nfs/dbraw/zinc/56/73/27/460567327.db2.gz GDFWBHVGMOJLNS-LJQANCHMSA-N 2 0 332.875 3.409 10 0 EGAERP Cc1nccn1-c1ccc([C@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000183600914 455310096 /nfs/dbraw/zinc/31/00/96/455310096.db2.gz FJFVPFPNNZQSKO-AWEZNQCLSA-N 2 0 349.438 3.133 10 0 EGAERP CCC1([NH+]2CCCC2)CCN(C[C@H](C[NH3+])c2ccc(OC)cc2)CC1 ZINC000631836742 460578143 /nfs/dbraw/zinc/57/81/43/460578143.db2.gz GCOODPXHSWQMKH-IBGZPJMESA-N 2 0 345.531 3.078 10 0 EGAERP CO[C@@](C)(C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563981 460614687 /nfs/dbraw/zinc/61/46/87/460614687.db2.gz OTLJZOCZNAFGAK-ICSRJNTNSA-N 2 0 334.504 3.071 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245774602 455377435 /nfs/dbraw/zinc/37/74/35/455377435.db2.gz XUQXJWSEOBNNJL-MZADTFQBSA-N 3 0 327.516 3.113 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC(C)(C)CO)CC1 ZINC000088728665 454117829 /nfs/dbraw/zinc/11/78/29/454117829.db2.gz YGLXJZNFBMSOSJ-UHFFFAOYSA-N 2 0 347.547 3.107 10 0 EGAERP C[C@@H](c1cn(-c2ccccc2)nn1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246077876 455422602 /nfs/dbraw/zinc/42/26/02/455422602.db2.gz ZCKFOROGVMKYIP-IRXDYDNUSA-N 2 0 348.454 3.157 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000120936970 454366156 /nfs/dbraw/zinc/36/61/56/454366156.db2.gz JILSHXWPGCGMBU-LFPIHBKWSA-N 2 0 348.487 3.476 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000123472397 454641590 /nfs/dbraw/zinc/64/15/90/454641590.db2.gz XGCSIIFYVOHKCL-GJZGRUSLSA-N 2 0 335.517 3.152 10 0 EGAERP CC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(OC)c1 ZINC000124356601 454722863 /nfs/dbraw/zinc/72/28/63/454722863.db2.gz JEKVKLTXFCTSLS-FQEVSTJZSA-N 2 0 333.520 3.010 10 0 EGAERP CCc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000124790600 454769755 /nfs/dbraw/zinc/76/97/55/454769755.db2.gz VLGXKNSFIBJDES-KRWDZBQOSA-N 2 0 333.520 3.443 10 0 EGAERP CN(Cc1ccccc1)C[C@@H](O)C[N@H+](C)CCCc1ccccc1 ZINC000109999251 454839909 /nfs/dbraw/zinc/83/99/09/454839909.db2.gz LNGRENYGEZFSAB-NRFANRHFSA-N 2 0 326.484 3.044 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154277411 454881044 /nfs/dbraw/zinc/88/10/44/454881044.db2.gz JFKZVQSQYFPKDW-HXUWFJFHSA-N 2 0 345.531 3.134 10 0 EGAERP CCN(CCCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396978 455483434 /nfs/dbraw/zinc/48/34/34/455483434.db2.gz RIMJYHZSNSXTKW-PKOBYXMFSA-N 2 0 346.519 3.027 10 0 EGAERP C[C@H]([NH2+]CCc1ccccc1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000154918128 454942775 /nfs/dbraw/zinc/94/27/75/454942775.db2.gz XROOSSJTJBLGML-INIZCTEOSA-N 2 0 328.456 3.226 10 0 EGAERP Cc1nc(C(C)C)sc1[C@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151264203 454960686 /nfs/dbraw/zinc/96/06/86/454960686.db2.gz PDFMJEXARJJRPU-ZFWWWQNUSA-N 2 0 325.522 3.072 10 0 EGAERP C[C@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127992333 455016529 /nfs/dbraw/zinc/01/65/29/455016529.db2.gz PWLXJJBEKLUIRA-GOSISDBHSA-N 2 0 347.522 3.469 10 0 EGAERP c1nn2ccccc2c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000179415643 455046386 /nfs/dbraw/zinc/04/63/86/455046386.db2.gz IPLGPKCPSJERBT-GOSISDBHSA-N 2 0 326.488 3.422 10 0 EGAERP CCSCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000119186157 455130788 /nfs/dbraw/zinc/13/07/88/455130788.db2.gz YQKIIMQSEJCZJD-IBGZPJMESA-N 2 0 336.545 3.117 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)[C@H](C)C1 ZINC000180415752 455165635 /nfs/dbraw/zinc/16/56/35/455165635.db2.gz HGPAVKUCJZERCM-GDBMZVCRSA-N 2 0 332.517 3.311 10 0 EGAERP c1coc(-c2cc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)no2)c1 ZINC000247027049 455547160 /nfs/dbraw/zinc/54/71/60/455547160.db2.gz YDTRWJZGDUVOJV-WMLDXEAASA-N 2 0 327.428 3.383 10 0 EGAERP Cc1cc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)s1 ZINC000182625602 455555689 /nfs/dbraw/zinc/55/56/89/455555689.db2.gz MELNSTXODFJTAZ-DFNIBXOVSA-N 2 0 333.545 3.108 10 0 EGAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)c1cccc2ccccc21 ZINC000247961626 455660275 /nfs/dbraw/zinc/66/02/75/455660275.db2.gz FLXRBFGNFPFZCD-UHFFFAOYSA-N 2 0 341.499 3.185 10 0 EGAERP CC[N@@H+]1CC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000192692191 455669694 /nfs/dbraw/zinc/66/96/94/455669694.db2.gz NHVHKZNIZXBPMF-WVVQBRDUSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000268989287 455755514 /nfs/dbraw/zinc/75/55/14/455755514.db2.gz GOKYCUSPAKTDIN-LZQZEXGQSA-N 2 0 330.497 3.282 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccccc1I ZINC000269056267 455777819 /nfs/dbraw/zinc/77/78/19/455777819.db2.gz WUHXXCVHOMVAAV-GFCCVEGCSA-N 2 0 346.256 3.284 10 0 EGAERP CCOc1ccc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)cc1OC ZINC000261777735 455946481 /nfs/dbraw/zinc/94/64/81/455946481.db2.gz JWJHHZSERQNDHZ-MOPGFXCFSA-N 2 0 340.467 3.268 10 0 EGAERP CN(CC(=O)Nc1cccc(Cl)c1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261856207 455959608 /nfs/dbraw/zinc/95/96/08/455959608.db2.gz FDHACNYPSKAMQX-FOSCPWQOSA-N 2 0 342.270 3.147 10 0 EGAERP FC(F)(F)COCC[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262302953 456022303 /nfs/dbraw/zinc/02/23/03/456022303.db2.gz BBDKIYVLOJGYLP-CQSZACIVSA-N 2 0 348.434 3.271 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035807 456080994 /nfs/dbraw/zinc/08/09/94/456080994.db2.gz VBBFPGAOEGGURI-CQDKDKBSSA-N 2 0 341.377 3.023 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCN2CC=CCC2)C3)cc1 ZINC000280959771 456092944 /nfs/dbraw/zinc/09/29/44/456092944.db2.gz KJABGBXCQGAYKS-MZADTFQBSA-N 2 0 325.500 3.034 10 0 EGAERP Cc1cc(NC2CCN(CC[NH+](C)C)CC2)c2cc(F)ccc2[nH+]1 ZINC000301666203 456179149 /nfs/dbraw/zinc/17/91/49/456179149.db2.gz LSPQNXIIXMHUTD-UHFFFAOYSA-N 2 0 330.451 3.120 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000333882283 456271476 /nfs/dbraw/zinc/27/14/76/456271476.db2.gz UUOQEMAVKFWFOE-XLIONFOSSA-N 2 0 325.456 3.184 10 0 EGAERP C[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(F)cc1 ZINC000275731297 456299186 /nfs/dbraw/zinc/29/91/86/456299186.db2.gz PHPGZXGOUGDYDY-YLJYHZDGSA-N 2 0 333.495 3.031 10 0 EGAERP Cc1nc2scc(C3CC3)n2c1CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000297847062 456307778 /nfs/dbraw/zinc/30/77/78/456307778.db2.gz OHGZCDMMWDRVJW-DOMZBBRYSA-N 2 0 332.517 3.496 10 0 EGAERP CCN1CC[NH+](C[C@@H](C)CNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302645685 456368113 /nfs/dbraw/zinc/36/81/13/456368113.db2.gz JAJCFWCNYLCLRH-KRWDZBQOSA-N 2 0 326.488 3.229 10 0 EGAERP CCN(C(=O)C[NH+](CC)CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000337643837 456450924 /nfs/dbraw/zinc/45/09/24/456450924.db2.gz GPVJZGAKOPMSIF-HKUYNNGSSA-N 2 0 331.504 3.012 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464602 456476422 /nfs/dbraw/zinc/47/64/22/456476422.db2.gz GQWCEZXHNRFCLZ-RTBURBONSA-N 2 0 346.540 3.010 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000340475721 456482644 /nfs/dbraw/zinc/48/26/44/456482644.db2.gz NJIGISAJIRFTLB-FQEVSTJZSA-N 2 0 341.503 3.223 10 0 EGAERP CC(C)(CNC(=O)c1cccc(C[NH+]2CCCC2)c1)C[NH+]1CCCC1 ZINC000276864004 456603567 /nfs/dbraw/zinc/60/35/67/456603567.db2.gz MVPCKWVNLPGTPC-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@H]21 ZINC000353404311 456678808 /nfs/dbraw/zinc/67/88/08/456678808.db2.gz OHZQUHPSGICXBC-CWRNSKLLSA-N 2 0 336.863 3.074 10 0 EGAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000327266151 456705052 /nfs/dbraw/zinc/70/50/52/456705052.db2.gz RBNDJVLTNPLDEC-HXUWFJFHSA-N 2 0 335.451 3.108 10 0 EGAERP COCc1ccc(CN(Cc2scnc2C)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328624502 456722033 /nfs/dbraw/zinc/72/20/33/456722033.db2.gz CKSQLQUNBFEQFB-GOSISDBHSA-N 2 0 345.512 3.210 10 0 EGAERP Cc1ccc(C[NH+](C)C)cc1NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000291915862 456798635 /nfs/dbraw/zinc/79/86/35/456798635.db2.gz LHJCWQYQBYOREL-LJQANCHMSA-N 2 0 335.467 3.208 10 0 EGAERP CN(C)[C@@H](C(=O)N1CCC(c2ncc[nH]2)CC1)c1cccc(Cl)c1 ZINC000348859048 456883539 /nfs/dbraw/zinc/88/35/39/456883539.db2.gz OFFXXIYNNLJZKW-MRXNPFEDSA-N 2 0 346.862 3.072 10 0 EGAERP CCCCn1c(SC[C@H](C)[NH+](C)C)nnc1[C@H](CC)N(C)C ZINC000358858475 457008599 /nfs/dbraw/zinc/00/85/99/457008599.db2.gz AHOUPHTZZRPKNE-KBPBESRZSA-N 2 0 327.542 3.133 10 0 EGAERP CCc1nnc([C@@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000354171043 457106849 /nfs/dbraw/zinc/10/68/49/457106849.db2.gz DWPNHCQZSSINEP-CCNLRDMRSA-N 2 0 339.487 3.213 10 0 EGAERP C[N@@H+]1CCC[C@@]2(CC[NH+](CCCc3nc(-c4cccs4)no3)C2)C1 ZINC000339438046 457117609 /nfs/dbraw/zinc/11/76/09/457117609.db2.gz TWHLCLZSKLZKLE-GOSISDBHSA-N 2 0 346.500 3.148 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000349970699 457127368 /nfs/dbraw/zinc/12/73/68/457127368.db2.gz XVDBUDRARMDKMK-FQEVSTJZSA-N 2 0 343.515 3.032 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000373869055 457377297 /nfs/dbraw/zinc/37/72/97/457377297.db2.gz TYYMNEAUXJCOSG-NBMJBFSESA-N 2 0 336.520 3.351 10 0 EGAERP c1ccc(COC[C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000384175604 457426010 /nfs/dbraw/zinc/42/60/10/457426010.db2.gz YRKYANWBSJBJEO-IBGZPJMESA-N 2 0 336.479 3.371 10 0 EGAERP C[C@@H](CCC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000342709486 457471708 /nfs/dbraw/zinc/47/17/08/457471708.db2.gz MLIOJYJEDQSZRM-INIZCTEOSA-N 2 0 333.520 3.282 10 0 EGAERP OC1(C[NH2+]Cc2ccc(Cl)o2)CC[NH+](Cc2ccccc2)CC1 ZINC000397496503 457488094 /nfs/dbraw/zinc/48/80/94/457488094.db2.gz AVKMCWWYCLORFH-UHFFFAOYSA-N 2 0 334.847 3.050 10 0 EGAERP c1cn(-c2ccc(C[NH2+][C@H](c3ccccc3)[C@@H]3CCOC3)cn2)cn1 ZINC000374494878 457640390 /nfs/dbraw/zinc/64/03/90/457640390.db2.gz GKJUREGMXCDEIR-UYAOXDASSA-N 2 0 334.423 3.135 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000425940664 457655966 /nfs/dbraw/zinc/65/59/66/457655966.db2.gz AGQFVOGNAPJKGY-NEPJUHHUSA-N 2 0 331.273 3.307 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000361295365 457682930 /nfs/dbraw/zinc/68/29/30/457682930.db2.gz JOLHYMSSSDNINA-SFHVURJKSA-N 2 0 328.504 3.399 10 0 EGAERP COC[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C1CCOCC1 ZINC000364846914 457704456 /nfs/dbraw/zinc/70/44/56/457704456.db2.gz KZFVPRAEXLDTBX-SFTDATJTSA-N 2 0 346.515 3.072 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@H]21 ZINC000370741054 457710098 /nfs/dbraw/zinc/71/00/98/457710098.db2.gz UIHYKGCFPJFUES-NUUXYWTLSA-N 2 0 336.520 3.349 10 0 EGAERP COc1ccc2oc(C[NH2+]Cc3ccnc(-n4ccnc4)c3)cc2c1 ZINC000371240843 457837668 /nfs/dbraw/zinc/83/76/68/457837668.db2.gz GHGHUHNTMFYULR-UHFFFAOYSA-N 2 0 334.379 3.312 10 0 EGAERP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396694 457977101 /nfs/dbraw/zinc/97/71/01/457977101.db2.gz JAZFIOFHONWRCZ-QAPCUYQASA-N 2 0 348.512 3.381 10 0 EGAERP CCn1c2ccc(F)cc2nc1CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375737263 458043044 /nfs/dbraw/zinc/04/30/44/458043044.db2.gz BAZSKZXTSPUFAT-XYPWUTKMSA-N 2 0 330.451 3.252 10 0 EGAERP CC(C)(C)C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000412035696 458057082 /nfs/dbraw/zinc/05/70/82/458057082.db2.gz LLDJHKMJNBXQEC-INIZCTEOSA-N 2 0 349.563 3.266 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000358770611 458205744 /nfs/dbraw/zinc/20/57/44/458205744.db2.gz JKMRPOVHOYBJPD-APWZRJJASA-N 2 0 331.504 3.265 10 0 EGAERP FC(F)(F)OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447600079 458319593 /nfs/dbraw/zinc/31/95/93/458319593.db2.gz LQJDHRVMJOFPTF-MUJYYYPQSA-N 2 0 328.378 3.308 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423472012 458437377 /nfs/dbraw/zinc/43/73/77/458437377.db2.gz FSOIXWKZQIYCMK-MXEMCNAFSA-N 3 0 327.516 3.304 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](C)(c3ccccc3)C2)CC1 ZINC000377113228 458466492 /nfs/dbraw/zinc/46/64/92/458466492.db2.gz IYYFBFROYYHTKG-NRFANRHFSA-N 2 0 329.532 3.066 10 0 EGAERP C[C@H](O)[C@H](C)[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020409 458516396 /nfs/dbraw/zinc/51/63/96/458516396.db2.gz PGMWQEUQLQLUHK-ZWOKBUDYSA-N 2 0 330.516 3.378 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccccc1CC[NH+](C)C ZINC000438352976 458568561 /nfs/dbraw/zinc/56/85/61/458568561.db2.gz IVRYGNQKBROGQN-UHFFFAOYSA-N 2 0 335.455 3.292 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562324 458588995 /nfs/dbraw/zinc/58/89/95/458588995.db2.gz BVEPJWDBZIRATI-VQTJNVASSA-N 2 0 345.531 3.450 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000431563456 458589023 /nfs/dbraw/zinc/58/90/23/458589023.db2.gz CDIPQVKEMMOOIX-MSOLQXFVSA-N 2 0 347.503 3.187 10 0 EGAERP CC(C)C[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000424332986 458617918 /nfs/dbraw/zinc/61/79/18/458617918.db2.gz VVINXSITTLSHGQ-MRXNPFEDSA-N 2 0 326.525 3.453 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424359108 458625296 /nfs/dbraw/zinc/62/52/96/458625296.db2.gz XZXRWRWNJYNZPE-ADAARDCZSA-N 2 0 328.500 3.302 10 0 EGAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431790227 458625609 /nfs/dbraw/zinc/62/56/09/458625609.db2.gz FRMLCYDUDNYQRV-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)OC)c1 ZINC000530206320 458716441 /nfs/dbraw/zinc/71/64/41/458716441.db2.gz ANJISLHSVTYRQZ-HAGHYFMRSA-N 2 0 332.488 3.283 10 0 EGAERP C[C@@H](CCc1ccccc1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249031 458730297 /nfs/dbraw/zinc/73/02/97/458730297.db2.gz SRNPPIOXDMJUFQ-RXVVDRJESA-N 2 0 330.516 3.346 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CC[C@H](C)c2ccccc2)CC1 ZINC000475621736 458955575 /nfs/dbraw/zinc/95/55/75/458955575.db2.gz GRTZYJRSMNLKOK-KRWDZBQOSA-N 2 0 325.456 3.406 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502115 459065162 /nfs/dbraw/zinc/06/51/62/459065162.db2.gz FJCHOIYHKHWYOM-DNVCBOLYSA-N 2 0 330.472 3.172 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]Cc1ccc3c[nH+]cn3c1)CCC2 ZINC000594514739 459072928 /nfs/dbraw/zinc/07/29/28/459072928.db2.gz APDYTNOYIWDLKZ-LJQANCHMSA-N 2 0 335.407 3.288 10 0 EGAERP CC1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615848 459210040 /nfs/dbraw/zinc/21/00/40/459210040.db2.gz UANUXUCLEMEBHT-PZJWPPBQSA-N 2 0 329.532 3.219 10 0 EGAERP O[C@@H]1CCCC[C@H]1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000568050773 459214570 /nfs/dbraw/zinc/21/45/70/459214570.db2.gz DZORGOYLJYYXEM-KSZLIROESA-N 2 0 334.529 3.243 10 0 EGAERP Cc1ccc(C)c([C@@H]2C[N@H+](CCCc3cncn3C)[C@@H](C)CO2)c1 ZINC000568527026 459304189 /nfs/dbraw/zinc/30/41/89/459304189.db2.gz OERNYWCFRHZZQJ-PXNSSMCTSA-N 2 0 327.472 3.432 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000560521475 459364932 /nfs/dbraw/zinc/36/49/32/459364932.db2.gz RZVZJUCKEZOWTN-IVAOSVALSA-N 2 0 327.516 3.286 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCCC[C@@H]1C[C@@H](C)O ZINC000582932132 459453914 /nfs/dbraw/zinc/45/39/14/459453914.db2.gz RDBAQWPKMFJHMI-DNVCBOLYSA-N 2 0 328.460 3.091 10 0 EGAERP CC[NH+](CC)CCn1ccc2cc(NC(=O)CC[C@@H](C)[NH3+])ccc21 ZINC000582962318 459458071 /nfs/dbraw/zinc/45/80/71/459458071.db2.gz PZKNCDDCQXJZGN-OAHLLOKOSA-N 2 0 330.476 3.049 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542471059 459560343 /nfs/dbraw/zinc/56/03/43/459560343.db2.gz PDTCSFOXDGNOQQ-HXUWFJFHSA-N 2 0 342.462 3.417 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393804 459590194 /nfs/dbraw/zinc/59/01/94/459590194.db2.gz CUGMJMLFRUVUFZ-FKICDVMDSA-N 2 0 348.556 3.396 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000499153732 459623694 /nfs/dbraw/zinc/62/36/94/459623694.db2.gz SSMIYWRHJUMVTO-JYAXBFRTSA-N 2 0 325.500 3.008 10 0 EGAERP CC(C)(C)NC(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499153885 459624103 /nfs/dbraw/zinc/62/41/03/459624103.db2.gz BFOPVGIAYWCFGT-LDLYASANSA-N 2 0 343.515 3.076 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CN(C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592531 459672406 /nfs/dbraw/zinc/67/24/06/459672406.db2.gz WSMZRXOVSUUUHE-RDJZCZTQSA-N 2 0 329.513 3.312 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527655181 459685690 /nfs/dbraw/zinc/68/56/90/459685690.db2.gz YUBZKXVHTSSBEC-UHFFFAOYSA-N 2 0 344.272 3.195 10 0 EGAERP [NH3+]CCCCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000563077502 459712160 /nfs/dbraw/zinc/71/21/60/459712160.db2.gz HCXOSLROEPJAPB-UHFFFAOYSA-N 2 0 343.515 3.163 10 0 EGAERP C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000576641926 460184436 /nfs/dbraw/zinc/18/44/36/460184436.db2.gz XUDWANDNBCDQIL-UHFFFAOYSA-N 2 0 332.451 3.150 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]CC(C)(C)C2)cc1 ZINC000634761676 460513173 /nfs/dbraw/zinc/51/31/73/460513173.db2.gz GXDYLBIXDNEOCX-LJQANCHMSA-N 2 0 345.531 3.427 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)CC1(C)C ZINC000623411953 460534825 /nfs/dbraw/zinc/53/48/25/460534825.db2.gz ROKIUKCOTBRJEY-HNNXBMFYSA-N 2 0 348.878 3.395 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000629387251 460746118 /nfs/dbraw/zinc/74/61/18/460746118.db2.gz DFIVNSBFTIQKOC-HZPDHXFCSA-N 2 0 342.405 3.439 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629521420 460794406 /nfs/dbraw/zinc/79/44/06/460794406.db2.gz PUKDPBRPZDVJGH-OAHLLOKOSA-N 2 0 344.377 3.134 10 0 EGAERP Cc1ccc(-c2nc3c(s2)[C@H]([NH2+]CCOCCC[NH3+])CCC3)cc1 ZINC000629538110 460801049 /nfs/dbraw/zinc/80/10/49/460801049.db2.gz MIAKZJDLCMWBFB-MRXNPFEDSA-N 2 0 345.512 3.451 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)Cc1c(OC(C)C)ccc2ccccc21 ZINC000629571332 460813525 /nfs/dbraw/zinc/81/35/25/460813525.db2.gz LHWOOPKTBUQJGN-UHFFFAOYSA-N 2 0 330.472 3.295 10 0 EGAERP C[C@]1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCS1 ZINC000628236644 461057660 /nfs/dbraw/zinc/05/76/60/461057660.db2.gz JPTVUFXGZFMRLJ-RTBURBONSA-N 2 0 334.529 3.019 10 0 EGAERP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000668109568 461107938 /nfs/dbraw/zinc/10/79/38/461107938.db2.gz GTTWTLUEQULSDB-UFYCRDLUSA-N 2 0 328.500 3.444 10 0 EGAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279839 461163223 /nfs/dbraw/zinc/16/32/23/461163223.db2.gz MGFHMGXAIWEBIP-IBGZPJMESA-N 2 0 346.478 3.347 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2)C1 ZINC000662282577 461165614 /nfs/dbraw/zinc/16/56/14/461165614.db2.gz CPBYJPKELKHJKL-NJAFHUGGSA-N 2 0 338.492 3.279 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC3CC2(c2ccccc2)C3)CC1 ZINC000662331674 461196109 /nfs/dbraw/zinc/19/61/09/461196109.db2.gz PTHQETLHOUBZKA-UHFFFAOYSA-N 2 0 327.516 3.024 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)Cc1ccccc1 ZINC000668489133 461302503 /nfs/dbraw/zinc/30/25/03/461302503.db2.gz CQHRHFYCQIHPJA-GCJKJVERSA-N 2 0 338.495 3.222 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCc2ccc([C@@H](C)[NH3+])cc2)o1 ZINC000646805541 461415374 /nfs/dbraw/zinc/41/53/74/461415374.db2.gz YYGOHEWTRZLFMR-CQSZACIVSA-N 2 0 329.444 3.071 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)CC1 ZINC000655803918 461464025 /nfs/dbraw/zinc/46/40/25/461464025.db2.gz HYPTXOFUHWPPSI-QFUCXCTJSA-N 3 0 329.532 3.012 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000655805385 461465522 /nfs/dbraw/zinc/46/55/22/461465522.db2.gz GXWMEMSCKQRVBN-AFAVFJNCSA-N 2 0 337.305 3.236 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000655824340 461478509 /nfs/dbraw/zinc/47/85/09/461478509.db2.gz JNCQMYCOYGWJLX-XBXGTLAGSA-N 2 0 348.288 3.427 10 0 EGAERP CCOc1cccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c1OC(F)F ZINC000655825619 461480631 /nfs/dbraw/zinc/48/06/31/461480631.db2.gz KMLFSHFHYLKFMT-XBXGTLAGSA-N 2 0 328.403 3.117 10 0 EGAERP C[N@H+](CCCO)C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000659931574 461501112 /nfs/dbraw/zinc/50/11/12/461501112.db2.gz QVPKRARJYFEWJE-UYAOXDASSA-N 2 0 330.516 3.349 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C2CCN(c3ccccc3OC)CC2)CC1 ZINC000631066183 461517124 /nfs/dbraw/zinc/51/71/24/461517124.db2.gz ZRYAIKLWCHZONN-UHFFFAOYSA-N 2 0 345.531 3.376 10 0 EGAERP c1ccc(C[NH+]2CC[C@@H](N[C@H]3CC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000647181666 461549979 /nfs/dbraw/zinc/54/99/79/461549979.db2.gz MHIIYJHWBVBOAD-RTWAWAEBSA-N 2 0 339.527 3.258 10 0 EGAERP Cc1cc(CO)cc(NCc2ccccc2C[NH+]2CCCCC2)n1 ZINC000663356133 461583579 /nfs/dbraw/zinc/58/35/79/461583579.db2.gz GMMFUFJYZRMIFL-UHFFFAOYSA-N 2 0 325.456 3.480 10 0 EGAERP C[N@H+](CCCC[NH2+]Cc1ncc(Br)cc1Cl)C1CC1 ZINC000631156288 461596422 /nfs/dbraw/zinc/59/64/22/461596422.db2.gz ZLZVCMMRFCHWJT-UHFFFAOYSA-N 2 0 346.700 3.462 10 0 EGAERP C[NH+](C)C1CCC([NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631160434 461601327 /nfs/dbraw/zinc/60/13/27/461601327.db2.gz JGRXSWUPJJIYTE-UHFFFAOYSA-N 2 0 346.700 3.460 10 0 EGAERP Cc1scc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1C ZINC000631173351 461611422 /nfs/dbraw/zinc/61/14/22/461611422.db2.gz QAKAUBCTHPYNGU-LJQANCHMSA-N 2 0 330.497 3.221 10 0 EGAERP CC(C)C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000647290035 461615640 /nfs/dbraw/zinc/61/56/40/461615640.db2.gz TZDBDFKGMLSBGR-FXAWDEMLSA-N 2 0 331.504 3.259 10 0 EGAERP c1ccc2c(c1)O[C@H](CC[NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC000647320932 461631953 /nfs/dbraw/zinc/63/19/53/461631953.db2.gz MVIIEFBHBDBDEZ-QGZVFWFLSA-N 2 0 332.513 3.394 10 0 EGAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000631223267 461654441 /nfs/dbraw/zinc/65/44/41/461654441.db2.gz ZOUSIVOGWNNYIJ-ABJHKEKUSA-N 2 0 347.300 3.304 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000653542607 461712041 /nfs/dbraw/zinc/71/20/41/461712041.db2.gz WNDABZXKBAGSQW-UHFFFAOYSA-N 2 0 341.499 3.091 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480401 461726919 /nfs/dbraw/zinc/72/69/19/461726919.db2.gz MHSBACBUFSYVGY-AZUAARDMSA-N 2 0 332.488 3.066 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCc3ccccn3)C2)cc1 ZINC000656403339 461736163 /nfs/dbraw/zinc/73/61/63/461736163.db2.gz IQAVIUYPEFASSJ-UDIDDNNKSA-N 2 0 347.506 3.467 10 0 EGAERP CC1=C(C)C[C@@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000639164378 461775362 /nfs/dbraw/zinc/77/53/62/461775362.db2.gz QRYRSDAVBWHCTN-MJIXASBWSA-N 2 0 347.547 3.185 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCCOc3ccccc3)C2)C1 ZINC000650708101 461901846 /nfs/dbraw/zinc/90/18/46/461901846.db2.gz SYPAEVYFHDSCQW-QWFCFKBJSA-N 2 0 332.488 3.064 10 0 EGAERP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713207 461906389 /nfs/dbraw/zinc/90/63/89/461906389.db2.gz JYBFLNPCLBKQAH-UHFFFAOYSA-N 2 0 326.488 3.388 10 0 EGAERP CC[C@@H]([NH2+]CCC[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653875739 461911764 /nfs/dbraw/zinc/91/17/64/461911764.db2.gz ZBRZHGSZLHXOGE-FCGDIQPGSA-N 2 0 326.525 3.251 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CCc1ccc(OC)c(O)c1 ZINC000650720195 461912646 /nfs/dbraw/zinc/91/26/46/461912646.db2.gz HRTOZRXDUPHFIG-HNNXBMFYSA-N 2 0 328.456 3.231 10 0 EGAERP COc1ccc(Br)cc1C1([NH2+]CC[C@@H]2CC[NH2+]C2)CC1 ZINC000647995237 461928021 /nfs/dbraw/zinc/92/80/21/461928021.db2.gz IMDCDLKABMDLKF-LBPRGKRZSA-N 2 0 339.277 3.036 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000650757872 461939184 /nfs/dbraw/zinc/93/91/84/461939184.db2.gz COTQIZSBPLHZDG-CQSZACIVSA-N 2 0 341.455 3.224 10 0 EGAERP O[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)Cc1ccccc1C(F)(F)F ZINC000644667057 462030398 /nfs/dbraw/zinc/03/03/98/462030398.db2.gz GNGFRURAHWGNQR-INIZCTEOSA-N 2 0 349.356 3.046 10 0 EGAERP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnn3c2CCC3)CC1 ZINC000657309697 462034706 /nfs/dbraw/zinc/03/47/06/462034706.db2.gz FQMMNQQBUGBXHZ-UHFFFAOYSA-N 2 0 338.499 3.351 10 0 EGAERP CC[C@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336707 462055945 /nfs/dbraw/zinc/05/59/45/462055945.db2.gz YMIRTZMJFYJOSD-MOPGFXCFSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1Oc2ccccc2[C@@H]1C ZINC000657391217 462092368 /nfs/dbraw/zinc/09/23/68/462092368.db2.gz JNIKNZIJBWJWIE-AUSJPIAWSA-N 2 0 334.423 3.310 10 0 EGAERP CCOCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCC1 ZINC000657397032 462095385 /nfs/dbraw/zinc/09/53/85/462095385.db2.gz JXGUTWYKZKLWTM-UHFFFAOYSA-N 2 0 328.460 3.344 10 0 EGAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648476345 462137999 /nfs/dbraw/zinc/13/79/99/462137999.db2.gz YBIWWXNDYFELCQ-BHDDXSALSA-N 2 0 342.527 3.292 10 0 EGAERP CC(C)(C)O[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657495660 462157150 /nfs/dbraw/zinc/15/71/50/462157150.db2.gz KPTSDJJMGAUJLJ-DLBZAZTESA-N 2 0 328.460 3.339 10 0 EGAERP c1ccc2c(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)ccnc2c1 ZINC000657535657 462170488 /nfs/dbraw/zinc/17/04/88/462170488.db2.gz RFFYQALJZGXGRP-UHFFFAOYSA-N 2 0 339.483 3.215 10 0 EGAERP CC(C)c1cnc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537604 462171729 /nfs/dbraw/zinc/17/17/29/462171729.db2.gz QLFWBBANFKWBSB-UHFFFAOYSA-N 2 0 337.533 3.247 10 0 EGAERP CCc1cccc(F)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538105 462171796 /nfs/dbraw/zinc/17/17/96/462171796.db2.gz YDJHCCDHZPPZCM-UHFFFAOYSA-N 2 0 334.479 3.369 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(-c2cccnc2)c1 ZINC000657573328 462187420 /nfs/dbraw/zinc/18/74/20/462187420.db2.gz JMRSWWLUOIGUFA-SFHVURJKSA-N 2 0 340.515 3.110 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)C1 ZINC000657598247 462199334 /nfs/dbraw/zinc/19/93/34/462199334.db2.gz ZJHYDQIVLJCUNO-QFIPXVFZSA-N 2 0 336.479 3.420 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@@H]2O)cc1 ZINC000648715015 462242346 /nfs/dbraw/zinc/24/23/46/462242346.db2.gz ZLOKLGXDWPXBQI-HBMCJLEFSA-N 2 0 346.515 3.143 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@@H]2O)cc1 ZINC000648715017 462242360 /nfs/dbraw/zinc/24/23/60/462242360.db2.gz ZLOKLGXDWPXBQI-NJYVYQBISA-N 2 0 346.515 3.143 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1[C@H]2Cc3cc(F)ccc3[C@@H]12 ZINC000657789306 462267057 /nfs/dbraw/zinc/26/70/57/462267057.db2.gz FVGKKEVONSBZHB-XUVXKRRUSA-N 2 0 334.398 3.143 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(C[NH+]2CCCC2)c1 ZINC000657827026 462287026 /nfs/dbraw/zinc/28/70/26/462287026.db2.gz KRCFEYOZCPMXFG-OAQYLSRUSA-N 2 0 346.515 3.204 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658060386 462362155 /nfs/dbraw/zinc/36/21/55/462362155.db2.gz ZDGPUTAXZFVUGG-HOJAQTOUSA-N 2 0 329.532 3.359 10 0 EGAERP FCC[C@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@H](CCF)C2)C1 ZINC000661690322 462368515 /nfs/dbraw/zinc/36/85/15/462368515.db2.gz LUDBWUKRAOILON-QZTJIDSGSA-N 2 0 332.479 3.146 10 0 EGAERP Cc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000665267270 462377549 /nfs/dbraw/zinc/37/75/49/462377549.db2.gz TUTDDFCQXHEXGX-GRYCIOLGSA-N 2 0 329.307 3.297 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103311 462384357 /nfs/dbraw/zinc/38/43/57/462384357.db2.gz USSYWJBYEMOOOW-HJZRJOMTSA-N 2 0 339.487 3.317 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@H]2CCC[C@@H]21 ZINC000658124914 462394893 /nfs/dbraw/zinc/39/48/93/462394893.db2.gz RJODNOSYIREXMS-UGUYLWEFSA-N 2 0 334.426 3.339 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138995 462402752 /nfs/dbraw/zinc/40/27/52/462402752.db2.gz KMEFANKOJBBYEJ-KSSFIOAISA-N 2 0 346.421 3.382 10 0 EGAERP COC1([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCCCC1 ZINC000658142532 462404881 /nfs/dbraw/zinc/40/48/81/462404881.db2.gz ZSFVXIHUIGEIPL-YLJYHZDGSA-N 2 0 346.515 3.081 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142708 462405235 /nfs/dbraw/zinc/40/52/35/462405235.db2.gz WDVLGFTYMHKIHZ-CTNGQTDRSA-N 2 0 340.442 3.169 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)C1 ZINC000658147284 462406542 /nfs/dbraw/zinc/40/65/42/462406542.db2.gz YGALSKXDZURMDP-UNMCSNQZSA-N 2 0 336.479 3.420 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658146513 462407540 /nfs/dbraw/zinc/40/75/40/462407540.db2.gz VLRWECKIELZEKP-UZLBHIALSA-N 2 0 340.467 3.113 10 0 EGAERP C[C@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000652149070 462451498 /nfs/dbraw/zinc/45/14/98/462451498.db2.gz QJFMSKICACWACT-WIYYLYMNSA-N 2 0 344.547 3.176 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339087 462480745 /nfs/dbraw/zinc/48/07/45/462480745.db2.gz PUOBONVYCNWFPJ-PKOBYXMFSA-N 2 0 349.563 3.445 10 0 EGAERP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)cc2)n1 ZINC000649415313 462503005 /nfs/dbraw/zinc/50/30/05/462503005.db2.gz UPMCDRGFFQUXIQ-FPOVZHCZSA-N 2 0 338.499 3.453 10 0 EGAERP Cc1ccc2cc(C[N@@H+](C)CC3CC[NH+](C[C@H](C)O)CC3)ccc2n1 ZINC000187221170 534467576 /nfs/dbraw/zinc/46/75/76/534467576.db2.gz JQFVKOBHDUNCMP-KRWDZBQOSA-N 2 0 341.499 3.068 10 0 EGAERP C[NH+](C)CCOc1ccc(CN2CCCC[C@@H]([NH+]3CCCC3)C2)cc1 ZINC000092785548 546679407 /nfs/dbraw/zinc/67/94/07/546679407.db2.gz SOCSLYFWEAORMZ-HXUWFJFHSA-N 2 0 345.531 3.077 10 0 EGAERP CCCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000310941176 547461961 /nfs/dbraw/zinc/46/19/61/547461961.db2.gz JSOHOCAUFZFXOT-HLAWJBBLSA-N 2 0 338.499 3.293 10 0 EGAERP CO[C@H](C)C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000678277404 549455436 /nfs/dbraw/zinc/45/54/36/549455436.db2.gz UNRYMPJGHJRXON-GOSISDBHSA-N 2 0 334.504 3.407 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)C1 ZINC000684367945 550320727 /nfs/dbraw/zinc/32/07/27/550320727.db2.gz JECNJCMDUMDUKB-SGLNWRHMSA-N 2 0 346.515 3.343 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000684371183 550321003 /nfs/dbraw/zinc/32/10/03/550321003.db2.gz MEIJOITXYCYQLP-PZJWPPBQSA-N 2 0 345.531 3.136 10 0 EGAERP CO[C@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000684371181 550321207 /nfs/dbraw/zinc/32/12/07/550321207.db2.gz MEIJOITXYCYQLP-CTNGQTDRSA-N 2 0 345.531 3.136 10 0 EGAERP C[C@@H]1[C@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684410902 550326677 /nfs/dbraw/zinc/32/66/77/550326677.db2.gz COIKAJMACYNKNT-CZUORRHYSA-N 2 0 330.394 3.400 10 0 EGAERP CC(C)C[C@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000685458466 550419249 /nfs/dbraw/zinc/41/92/49/550419249.db2.gz KZZMXSDHQQMQQC-OAQYLSRUSA-N 2 0 331.548 3.386 10 0 EGAERP C/C(=C/c1ccccc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000685460425 550419895 /nfs/dbraw/zinc/41/98/95/550419895.db2.gz OJRQJBUBYPCWER-MZERBDDISA-N 2 0 339.527 3.333 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000397911880 1297707087 /nfs/dbraw/zinc/70/70/87/1297707087.db2.gz YQPJPDVKMIAAQJ-UHFFFAOYSA-N 2 0 327.513 3.144 10 0 EGAERP Cc1nccn1CCCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000103092737 1292993847 /nfs/dbraw/zinc/99/38/47/1292993847.db2.gz OXYOTXIAUSJYJO-IBGZPJMESA-N 2 0 346.519 3.086 10 0 EGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CCCC(C)(C)C2)CC1 ZINC000136299002 1293814102 /nfs/dbraw/zinc/81/41/02/1293814102.db2.gz CHNGMQIUMDLRSR-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CCC(CC)(CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH2+][C@@H](C)c1ccccc1 ZINC000870885652 1296130120 /nfs/dbraw/zinc/13/01/20/1296130120.db2.gz PYJVQLMSCYBSBN-DKXUYOFUSA-N 2 0 343.515 3.140 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000871357349 1296365083 /nfs/dbraw/zinc/36/50/83/1296365083.db2.gz GGXAXPGXKHJVBU-UHFFFAOYSA-N 2 0 343.515 3.275 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886147 1296595510 /nfs/dbraw/zinc/59/55/10/1296595510.db2.gz BQHRCQONHZCNIS-IBGZPJMESA-N 2 0 336.439 3.174 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000872030761 1296680526 /nfs/dbraw/zinc/68/05/26/1296680526.db2.gz CAHUBCCHJUSONH-UYAOXDASSA-N 2 0 334.504 3.312 10 0 EGAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCC(=O)Nc1ccccc1-c1ccccc1)C2 ZINC000872152608 1296770724 /nfs/dbraw/zinc/77/07/24/1296770724.db2.gz RNKAJYAQJGUJHA-PGRDOPGGSA-N 2 0 349.478 3.224 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000872155202 1296771431 /nfs/dbraw/zinc/77/14/31/1296771431.db2.gz NOQGVBUTRDZSMM-UHFFFAOYSA-N 2 0 331.382 3.095 10 0 EGAERP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)C1)C1CCCC1 ZINC000872158072 1296776324 /nfs/dbraw/zinc/77/63/24/1296776324.db2.gz SJMYABJESUGZAW-APWZRJJASA-N 2 0 344.503 3.030 10 0 EGAERP c1cc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c2c(c1)OCCCO2 ZINC000873233092 1297374811 /nfs/dbraw/zinc/37/48/11/1297374811.db2.gz ZWCFKGUPOSMAFI-SFHVURJKSA-N 2 0 330.472 3.250 10 0 EGAERP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000391155919 1297640805 /nfs/dbraw/zinc/64/08/05/1297640805.db2.gz YNRSVVIFCAJMMW-MSOLQXFVSA-N 2 0 345.531 3.167 10 0 EGAERP C[C@@H]1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C[NH2+]1 ZINC000398996588 1297722307 /nfs/dbraw/zinc/72/23/07/1297722307.db2.gz PQJDOJSCALSEFF-UYAOXDASSA-N 2 0 327.516 3.115 10 0 EGAERP C[NH+](C)C1CCC([NH2+]C[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000715275398 1298280383 /nfs/dbraw/zinc/28/03/83/1298280383.db2.gz HYHIPHJDVWMBNJ-LADRWXRNSA-N 2 0 339.524 3.238 10 0 EGAERP C[NH+](C)C1CCC([NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000715273748 1298280520 /nfs/dbraw/zinc/28/05/20/1298280520.db2.gz DNPQIKIVZOWONV-CGZBRXJRSA-N 2 0 339.524 3.238 10 0 EGAERP C[C@@H]1C[C@H](N2Cc3ccccc3C[C@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000721641934 1298333405 /nfs/dbraw/zinc/33/34/05/1298333405.db2.gz PDIKGUOEDJVTHO-WTNAPCKOSA-N 2 0 335.495 3.035 10 0 EGAERP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000877697191 1299488699 /nfs/dbraw/zinc/48/86/99/1299488699.db2.gz HQDRWLQJCJKNMB-SFTDATJTSA-N 2 0 328.500 3.446 10 0 EGAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4C[C@@]45CCOC5)C3)C2)cc1 ZINC000886202841 1303394329 /nfs/dbraw/zinc/39/43/29/1303394329.db2.gz GGUGWMFKHLEZCM-PCCBWWKXSA-N 2 0 326.484 3.011 10 0 EGAERP OC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886541608 1303492822 /nfs/dbraw/zinc/49/28/22/1303492822.db2.gz YJNBKXOMTXQZPE-SXYSDOLCSA-N 2 0 328.500 3.180 10 0 EGAERP Cc1noc2ncc(C[NH2+]CC3CC[NH+](CCC(C)C)CC3)cc12 ZINC000894330030 1306345646 /nfs/dbraw/zinc/34/56/46/1306345646.db2.gz UDSSRKQFJIGCTG-UHFFFAOYSA-N 2 0 330.476 3.379 10 0 EGAERP CC(C)C[N@@H+](Cc1ccc2[nH]c(=O)[nH]c2c1)CC1CC[NH+](C)CC1 ZINC000895465313 1309352353 /nfs/dbraw/zinc/35/23/53/1309352353.db2.gz AOYHPLDIEBCHBQ-UHFFFAOYSA-N 2 0 330.476 3.068 10 0 EGAERP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858109897 1328684462 /nfs/dbraw/zinc/68/44/62/1328684462.db2.gz CIUQUGPKLZTSFY-RDJZCZTQSA-N 2 0 329.488 3.337 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858110062 1328684763 /nfs/dbraw/zinc/68/47/63/1328684763.db2.gz HWBFTUYFJFNWJQ-GDBMZVCRSA-N 2 0 331.460 3.167 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858111865 1328685819 /nfs/dbraw/zinc/68/58/19/1328685819.db2.gz WHJXEFDMPUPULJ-HZPDHXFCSA-N 2 0 339.524 3.238 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+]([C@@H](C)c2ccc(F)nc2)CC1 ZINC000930144399 1328798549 /nfs/dbraw/zinc/79/85/49/1328798549.db2.gz DONQQIIHRIWGTB-INIZCTEOSA-N 2 0 337.483 3.352 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000930806342 1328976164 /nfs/dbraw/zinc/97/61/64/1328976164.db2.gz PCCAELOQVPTHIS-HOTGVXAUSA-N 2 0 343.393 3.094 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921527713 1322340221 /nfs/dbraw/zinc/34/02/21/1322340221.db2.gz PEQNRQQCOPNDBI-UHFFFAOYSA-N 2 0 326.488 3.039 10 0 EGAERP Cc1nc(C[NH2+]C2CCC(C[NH+](C)C)CC2)sc1Br ZINC000921921276 1322423684 /nfs/dbraw/zinc/42/36/84/1322423684.db2.gz VUDNLVVHDKGKAH-UHFFFAOYSA-N 2 0 346.338 3.424 10 0 EGAERP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn(CCF)c2)C[N@@H+]1Cc1ccccc1 ZINC000921927235 1322424571 /nfs/dbraw/zinc/42/45/71/1322424571.db2.gz GBOZJHQSMCNVTM-PKOBYXMFSA-N 2 0 344.478 3.243 10 0 EGAERP c1cc2c(c(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)n1)CCCC2 ZINC000921960050 1322430662 /nfs/dbraw/zinc/43/06/62/1322430662.db2.gz AIMLRTNXNNJRCT-UHFFFAOYSA-N 2 0 336.483 3.362 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743240 1322607715 /nfs/dbraw/zinc/60/77/15/1322607715.db2.gz OZDCRVRZNKWJGS-WOJBJXKFSA-N 2 0 346.515 3.215 10 0 EGAERP COCCOc1cccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1 ZINC000922848803 1322632388 /nfs/dbraw/zinc/63/23/88/1322632388.db2.gz XXDLCXSNCGYJFJ-UHFFFAOYSA-N 2 0 332.488 3.208 10 0 EGAERP Cc1ccc(SCC[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)cc1C ZINC000923449973 1322753622 /nfs/dbraw/zinc/75/36/22/1322753622.db2.gz RQAKKEZYANHLBN-KRWDZBQOSA-N 2 0 334.529 3.225 10 0 EGAERP COc1ccc(C(C)C)cc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923452327 1322754182 /nfs/dbraw/zinc/75/41/82/1322754182.db2.gz PYSMEHSLFYPBDW-GOSISDBHSA-N 2 0 332.488 3.148 10 0 EGAERP C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1C[NH3+] ZINC000923494466 1322761676 /nfs/dbraw/zinc/76/16/76/1322761676.db2.gz XVNXFSJGLGXONW-VWNJHIHFSA-N 2 0 342.405 3.085 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1C[NH3+] ZINC000923499395 1322762474 /nfs/dbraw/zinc/76/24/74/1322762474.db2.gz KHFYQRGUQSXJPT-SJLPKXTDSA-N 2 0 325.456 3.077 10 0 EGAERP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)n2)cc1 ZINC000923497739 1322762515 /nfs/dbraw/zinc/76/25/15/1322762515.db2.gz DAECEVBRDJYVPE-WMLDXEAASA-N 2 0 328.460 3.277 10 0 EGAERP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498606 1322762785 /nfs/dbraw/zinc/76/27/85/1322762785.db2.gz HTZYILPUEIVJEZ-UKRRQHHQSA-N 2 0 332.879 3.251 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@@H]3[C@@H](C)COC[C@H]3C)cc2)C[C@H](C)O1 ZINC000924609428 1323073845 /nfs/dbraw/zinc/07/38/45/1323073845.db2.gz HHDPNKCOJWDTOU-GWWVYPRNSA-N 2 0 346.515 3.056 10 0 EGAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1csc(C(F)(F)F)c1 ZINC000924630983 1323083508 /nfs/dbraw/zinc/08/35/08/1323083508.db2.gz CLJCISLSNZWTDP-GFCCVEGCSA-N 2 0 349.466 3.444 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@@H]34)C2)cc1 ZINC000924939120 1323220783 /nfs/dbraw/zinc/22/07/83/1323220783.db2.gz QHWBLYYIFIVYOC-VSKRKVRLSA-N 2 0 341.543 3.158 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938626 1323221324 /nfs/dbraw/zinc/22/13/24/1323221324.db2.gz NBGZANQWKUVQFR-ACRUOGEOSA-N 2 0 330.516 3.202 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@@H]34)C2)cc1 ZINC000924939118 1323221681 /nfs/dbraw/zinc/22/16/81/1323221681.db2.gz QHWBLYYIFIVYOC-FSSWDIPSSA-N 2 0 341.543 3.158 10 0 EGAERP COc1cc([C@@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc2ccccc21 ZINC000924967064 1323231593 /nfs/dbraw/zinc/23/15/93/1323231593.db2.gz WFSPSXHJFQVLLY-IAGOWNOFSA-N 2 0 341.499 3.135 10 0 EGAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925219610 1325084279 /nfs/dbraw/zinc/08/42/79/1325084279.db2.gz DXDYHOKVEHEHET-FPOVZHCZSA-N 2 0 348.531 3.063 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H]3CCOC34CCCCC4)CC2)cc[nH+]1 ZINC000925301393 1325118692 /nfs/dbraw/zinc/11/86/92/1325118692.db2.gz VGDMPRINQUXXQJ-IBGZPJMESA-N 2 0 329.488 3.379 10 0 EGAERP COc1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1OC ZINC000925476434 1325167751 /nfs/dbraw/zinc/16/77/51/1325167751.db2.gz BZFPCEWYCAIISU-MSOLQXFVSA-N 2 0 332.488 3.004 10 0 EGAERP CC1(C)[C@@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925495283 1325177007 /nfs/dbraw/zinc/17/70/07/1325177007.db2.gz TWQRCQVVVYRPIK-AABGKKOBSA-N 2 0 327.516 3.017 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)c1 ZINC000925502664 1325180874 /nfs/dbraw/zinc/18/08/74/1325180874.db2.gz GXQVHLFMFLEJCL-ULQDDVLXSA-N 2 0 331.504 3.160 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536323 1325196466 /nfs/dbraw/zinc/19/64/66/1325196466.db2.gz CZLGGIGIKACACM-QWHCGFSZSA-N 2 0 328.403 3.292 10 0 EGAERP C[C@@H]1C[C@@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000925540167 1325198934 /nfs/dbraw/zinc/19/89/34/1325198934.db2.gz AKYSXEMJIJOQDU-VLQCVTHLSA-N 2 0 341.543 3.406 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000925543030 1325200312 /nfs/dbraw/zinc/20/03/12/1325200312.db2.gz KKVHFZFNEUCARO-AZUAARDMSA-N 2 0 329.532 3.189 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000925557730 1325208088 /nfs/dbraw/zinc/20/80/88/1325208088.db2.gz OFIWNFVVQQDRPJ-ZCNNSNEGSA-N 2 0 345.531 3.483 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925564749 1325212256 /nfs/dbraw/zinc/21/22/56/1325212256.db2.gz LPBKMLBZEVPBGV-PMACEKPBSA-N 3 0 329.532 3.394 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C12CCC2 ZINC000925607612 1325230225 /nfs/dbraw/zinc/23/02/25/1325230225.db2.gz WGNNRIPWXBIBOS-RBUKOAKNSA-N 2 0 326.440 3.356 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000925629992 1325238727 /nfs/dbraw/zinc/23/87/27/1325238727.db2.gz OXNRFJFSKAYKAE-VNQPRFMTSA-N 2 0 328.460 3.336 10 0 EGAERP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639201 1325242683 /nfs/dbraw/zinc/24/26/83/1325242683.db2.gz KDGMJJUITSFPNC-QYZOEREBSA-N 2 0 336.907 3.305 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C1 ZINC000925652781 1325248413 /nfs/dbraw/zinc/24/84/13/1325248413.db2.gz ANGVNVVXHQTQBI-QWHCGFSZSA-N 2 0 331.382 3.018 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C12CCC2 ZINC000925671480 1325256692 /nfs/dbraw/zinc/25/66/92/1325256692.db2.gz CMPBHCUWOLYROU-CABCVRRESA-N 2 0 335.289 3.384 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925677051 1325259252 /nfs/dbraw/zinc/25/92/52/1325259252.db2.gz MZVOXQJQGVPOHD-JKSUJKDBSA-N 2 0 341.421 3.401 10 0 EGAERP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)OC1 ZINC000925732560 1325275058 /nfs/dbraw/zinc/27/50/58/1325275058.db2.gz PQKGBTNEEBOKLP-OXFYSEKESA-N 2 0 330.472 3.037 10 0 EGAERP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779378 1325296480 /nfs/dbraw/zinc/29/64/80/1325296480.db2.gz YCGPUDXWGDIGEK-WCQYABFASA-N 2 0 336.348 3.471 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000925814610 1325313423 /nfs/dbraw/zinc/31/34/23/1325313423.db2.gz KJGBXYHAZGLYNN-QGZVFWFLSA-N 2 0 341.421 3.169 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000925817103 1325314878 /nfs/dbraw/zinc/31/48/78/1325314878.db2.gz NEIHUMSYIZKGRD-CYBMUJFWSA-N 2 0 348.491 3.023 10 0 EGAERP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842048 1325323824 /nfs/dbraw/zinc/32/38/24/1325323824.db2.gz XBDOGQYRKAILHM-QEUVDIPISA-N 2 0 342.483 3.290 10 0 EGAERP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925847894 1325327668 /nfs/dbraw/zinc/32/76/68/1325327668.db2.gz ZPZPJBOUDIMGEH-NSISKUIASA-N 2 0 332.488 3.147 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(Cl)c(F)c1 ZINC000925847121 1325328314 /nfs/dbraw/zinc/32/83/14/1325328314.db2.gz ZWPDRCXNJNYJDK-CQSZACIVSA-N 2 0 327.875 3.205 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccsc2S1 ZINC000925847527 1325328541 /nfs/dbraw/zinc/32/85/41/1325328541.db2.gz YRNHDFADAFZYHU-GOEBONIOSA-N 2 0 339.574 3.339 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000925847878 1325328709 /nfs/dbraw/zinc/32/87/09/1325328709.db2.gz ZGXSRTXOTREGHB-ZIFCJYIRSA-N 2 0 329.444 3.352 10 0 EGAERP O=C1O[C@H](C[NH2+]C2c3ccccc3-c3ccccc32)CC12CC[NH2+]CC2 ZINC000925857969 1325333100 /nfs/dbraw/zinc/33/31/00/1325333100.db2.gz QZXSYLUVKUXNRF-HNNXBMFYSA-N 2 0 348.446 3.031 10 0 EGAERP O=C1O[C@H](C[NH2+][C@H](c2cccs2)C2CCCC2)CC12CC[NH2+]CC2 ZINC000925857447 1325333138 /nfs/dbraw/zinc/33/31/38/1325333138.db2.gz ZTODFXBYSXIKCS-RDJZCZTQSA-N 2 0 348.512 3.254 10 0 EGAERP COc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000925876949 1325339241 /nfs/dbraw/zinc/33/92/41/1325339241.db2.gz JYODJPHGSWRFRB-CYBMUJFWSA-N 2 0 329.444 3.025 10 0 EGAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000926123219 1325437774 /nfs/dbraw/zinc/43/77/74/1325437774.db2.gz BFAVBFMFPJAVOL-NJYVYQBISA-N 2 0 348.531 3.063 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@H](C)[NH+]2CCCCC2)n(C)n1 ZINC000926141718 1325444824 /nfs/dbraw/zinc/44/48/24/1325444824.db2.gz INQAMIAIJILFCE-BJLQDIEVSA-N 2 0 332.536 3.294 10 0 EGAERP C[C@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc(C[NH+](C)C)c1 ZINC000926766715 1327706777 /nfs/dbraw/zinc/70/67/77/1327706777.db2.gz ZWGXHERXRCSQTQ-YWZLYKJASA-N 2 0 337.467 3.226 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000926791607 1327719766 /nfs/dbraw/zinc/71/97/66/1327719766.db2.gz RWLXKWGBHDYQHF-IBGZPJMESA-N 2 0 332.488 3.030 10 0 EGAERP CC1CC[NH+](Cc2ccc(-c3noc(C4=CC[C@@H]([NH3+])C4)n3)cc2)CC1 ZINC000863667410 1329572689 /nfs/dbraw/zinc/57/26/89/1329572689.db2.gz IFZSRYKNNVNBGJ-GOSISDBHSA-N 2 0 338.455 3.473 10 0 EGAERP CC(=O)NCC1CCC([NH2+]CC2CC[NH+](CCC(C)C)CC2)CC1 ZINC000865485079 1329703867 /nfs/dbraw/zinc/70/38/67/1329703867.db2.gz QHJIKUOTZXCRBN-UHFFFAOYSA-N 2 0 337.552 3.029 10 0 EGAERP CCC1(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCOCC1 ZINC000865773559 1329736908 /nfs/dbraw/zinc/73/69/08/1329736908.db2.gz DFAQUTHBWPGRKA-UHFFFAOYSA-N 2 0 330.516 3.446 10 0 EGAERP C[NH+](C)Cc1cccc(NC(=O)NC2CCC(C)([NH+](C)C)CC2)c1 ZINC000866132125 1330068755 /nfs/dbraw/zinc/06/87/55/1330068755.db2.gz ALUXFPQAMBHJDI-UHFFFAOYSA-N 2 0 332.492 3.133 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866278833 1330089780 /nfs/dbraw/zinc/08/97/80/1330089780.db2.gz AKWBZNWGFALZMV-NRFANRHFSA-N 2 0 337.511 3.443 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001323565570 1387390882 /nfs/dbraw/zinc/39/08/82/1387390882.db2.gz CPELPANGBSREDZ-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640090 1387415048 /nfs/dbraw/zinc/41/50/48/1387415048.db2.gz BSOKRJYFSXBQAO-VQTJNVASSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858204 1387478207 /nfs/dbraw/zinc/47/82/07/1387478207.db2.gz BOVUQVQBBIABOD-UYAOXDASSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858203 1387477795 /nfs/dbraw/zinc/47/77/95/1387477795.db2.gz BOVUQVQBBIABOD-QUCCMNQESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001324236968 1387564561 /nfs/dbraw/zinc/56/45/61/1387564561.db2.gz RSBMKRBHRPDLMV-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001324249236 1387567127 /nfs/dbraw/zinc/56/71/27/1387567127.db2.gz IASCTNKIWDREPS-XJDXJNMNSA-N 2 0 343.515 3.299 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](CCC2CCCC2)CC1 ZINC001324318608 1387590225 /nfs/dbraw/zinc/59/02/25/1387590225.db2.gz NQGNTJYZSKHUAF-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(C)(C)C ZINC001485357692 1395833208 /nfs/dbraw/zinc/83/32/08/1395833208.db2.gz LIKWQANXDWUZJX-IAGOWNOFSA-N 2 0 325.541 3.122 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CC=C(C)C)C2CCCC2)C1 ZINC001324495796 1387648324 /nfs/dbraw/zinc/64/83/24/1387648324.db2.gz QRDHBHXBYGQCFY-PMACEKPBSA-N 2 0 349.563 3.339 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001324557151 1387673620 /nfs/dbraw/zinc/67/36/20/1387673620.db2.gz OYGWOGLSMWEVDW-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@]2(C)CC[NH+](CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001324642045 1387714827 /nfs/dbraw/zinc/71/48/27/1387714827.db2.gz RKZSXKNCQFYCRO-ABSDTBQOSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001324741819 1387758970 /nfs/dbraw/zinc/75/89/70/1387758970.db2.gz OEEKCRPBOYFHLL-FXAWDEMLSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3CC(C)(C)C3)C2)CCC1 ZINC001324944825 1387840715 /nfs/dbraw/zinc/84/07/15/1387840715.db2.gz UFCOHVXBXWZCSZ-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC1CCCC1)C2 ZINC001325351730 1387947533 /nfs/dbraw/zinc/94/75/33/1387947533.db2.gz NQISAKKOLZYQNP-UFYCRDLUSA-N 2 0 349.563 3.266 10 0 EGAERP CN1CCC[C@H]2[C@H]1CC[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001197498158 1368827113 /nfs/dbraw/zinc/82/71/13/1368827113.db2.gz XLRISIUHZRGJOG-RTWAWAEBSA-N 2 0 327.516 3.341 10 0 EGAERP C[C@H]([NH2+]CCOC1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812558 1371407663 /nfs/dbraw/zinc/40/76/63/1371407663.db2.gz QFQDMIAELWEJFS-JKSUJKDBSA-N 2 0 326.550 3.141 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001326466877 1388201300 /nfs/dbraw/zinc/20/13/00/1388201300.db2.gz DREUBHLESDLKHF-JXFKEZNVSA-N 2 0 345.531 3.484 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001326466883 1388201527 /nfs/dbraw/zinc/20/15/27/1388201527.db2.gz DREUBHLESDLKHF-UZLBHIALSA-N 2 0 345.531 3.484 10 0 EGAERP CCc1nccn1[C@H](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]C(C)C)CC1 ZINC001326521162 1388227777 /nfs/dbraw/zinc/22/77/77/1388227777.db2.gz HXPTUSITEWNNDS-BRWVUGGUSA-N 2 0 334.508 3.070 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCCC2)CCC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001326835682 1388325913 /nfs/dbraw/zinc/32/59/13/1388325913.db2.gz WWWBFRWHINNQCJ-IAGOWNOFSA-N 2 0 344.503 3.112 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001327130316 1388394104 /nfs/dbraw/zinc/39/41/04/1388394104.db2.gz LGNRVHBCDCMNLZ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001327173187 1388421898 /nfs/dbraw/zinc/42/18/98/1388421898.db2.gz OAEFGLGLZPBZIR-QFBILLFUSA-N 2 0 349.494 3.198 10 0 EGAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001264122096 1377140011 /nfs/dbraw/zinc/14/00/11/1377140011.db2.gz GFGOPBDSQCMDDJ-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266144164 1377206535 /nfs/dbraw/zinc/20/65/35/1377206535.db2.gz MKCBZHRZILFMCE-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266144669 1377206846 /nfs/dbraw/zinc/20/68/46/1377206846.db2.gz XJDMINBKSOJHNE-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001266204054 1377227306 /nfs/dbraw/zinc/22/73/06/1377227306.db2.gz PGASWGBPZJHPCW-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001266238109 1377241889 /nfs/dbraw/zinc/24/18/89/1377241889.db2.gz KHTGNZWACBJZKN-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001266373427 1377298552 /nfs/dbraw/zinc/29/85/52/1377298552.db2.gz CXOLKAUFFCIAON-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001267133646 1377416540 /nfs/dbraw/zinc/41/65/40/1377416540.db2.gz KNRDHHQJFBYODF-KRWDZBQOSA-N 2 0 335.536 3.070 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001267560712 1377457181 /nfs/dbraw/zinc/45/71/81/1377457181.db2.gz LULGDOVLMJKUTG-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267807470 1377470784 /nfs/dbraw/zinc/47/07/84/1377470784.db2.gz XFYVWZULAOEETK-UXHICEINSA-N 2 0 345.531 3.162 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001268164665 1377490516 /nfs/dbraw/zinc/49/05/16/1377490516.db2.gz YFHSLGIEORIEER-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP C[C@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741546 1377523800 /nfs/dbraw/zinc/52/38/00/1377523800.db2.gz TZGPBBFEYFGWSL-LVMGUKCRSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001270982294 1377621260 /nfs/dbraw/zinc/62/12/60/1377621260.db2.gz HPIVOCMFEQYSAB-FPOVZHCZSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCC1 ZINC001273084618 1378086956 /nfs/dbraw/zinc/08/69/56/1378086956.db2.gz VIWDHBLXKOQAEY-AATRIKPKSA-N 2 0 335.536 3.236 10 0 EGAERP CN(CCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CC[NH+]1CCCCC1 ZINC001273591477 1378105263 /nfs/dbraw/zinc/10/52/63/1378105263.db2.gz SOBBCAUYIIYCHU-HSALFYBXSA-N 2 0 349.563 3.079 10 0 EGAERP O=C([C@@H]1CC[C@@H]2CCCC[N@@H+]21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001141669456 1378360433 /nfs/dbraw/zinc/36/04/33/1378360433.db2.gz RQDNQRNTSSMGKK-PMACEKPBSA-N 2 0 347.547 3.260 10 0 EGAERP CC(C)Cc1ccc([C@@H](CNC(=O)[C@H](C)CC[NH+](C)C)[NH+](C)C)cc1 ZINC001141779304 1378375042 /nfs/dbraw/zinc/37/50/42/1378375042.db2.gz ANVJVQQKRLOQQN-YLJYHZDGSA-N 2 0 347.547 3.192 10 0 EGAERP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001281298377 1378413340 /nfs/dbraw/zinc/41/33/40/1378413340.db2.gz KCJOEVOCDUXIBC-LJQANCHMSA-N 2 0 343.515 3.006 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001281906130 1378456731 /nfs/dbraw/zinc/45/67/31/1378456731.db2.gz STURWUHWNLOEPO-FBYXPACISA-N 2 0 343.515 3.055 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834943 1378637385 /nfs/dbraw/zinc/63/73/85/1378637385.db2.gz XHCQYSUZGBUTEK-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001282958238 1378686030 /nfs/dbraw/zinc/68/60/30/1378686030.db2.gz MJHGDZUDLQSNRT-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001282959297 1378686537 /nfs/dbraw/zinc/68/65/37/1378686537.db2.gz UKIJXVGMIFLFNC-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001282964603 1378689307 /nfs/dbraw/zinc/68/93/07/1378689307.db2.gz JRYSDISIUSSXOK-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001283192396 1378758396 /nfs/dbraw/zinc/75/83/96/1378758396.db2.gz QFWIBYNEHSOLCF-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001283720238 1379141233 /nfs/dbraw/zinc/14/12/33/1379141233.db2.gz ARJJSTBEIRSXBU-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001283938784 1379288581 /nfs/dbraw/zinc/28/85/81/1379288581.db2.gz JXQSKCVVFQWOGK-XLIONFOSSA-N 2 0 345.531 3.229 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001284035024 1379385074 /nfs/dbraw/zinc/38/50/74/1379385074.db2.gz YOCRBXYOBPUOFK-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001284067064 1379424387 /nfs/dbraw/zinc/42/43/87/1379424387.db2.gz JWJNTNNVCQDSNV-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001284072315 1379436547 /nfs/dbraw/zinc/43/65/47/1379436547.db2.gz QYNOLBIXLOXEBE-QWFCFKBJSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001284130841 1379511672 /nfs/dbraw/zinc/51/16/72/1379511672.db2.gz XTPUGCFLCYLJAS-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001284188313 1379580608 /nfs/dbraw/zinc/58/06/08/1379580608.db2.gz HOQQHQSGJZCNEX-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284196099 1379589684 /nfs/dbraw/zinc/58/96/84/1379589684.db2.gz LVJNUWBBMBZIEF-RTBURBONSA-N 2 0 349.563 3.482 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284349760 1379748698 /nfs/dbraw/zinc/74/86/98/1379748698.db2.gz QZLFVDQYZPAJHH-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001284559808 1379969397 /nfs/dbraw/zinc/96/93/97/1379969397.db2.gz ZMPUWGMMOZLJTQ-SFHVURJKSA-N 2 0 331.504 3.012 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630887 1380034468 /nfs/dbraw/zinc/03/44/68/1380034468.db2.gz KMFULOPYDAWPHZ-YOEHRIQHSA-N 2 0 348.535 3.145 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001284643397 1380051016 /nfs/dbraw/zinc/05/10/16/1380051016.db2.gz SPEIKYOJKOPLFF-GOSISDBHSA-N 2 0 337.552 3.194 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001284684047 1380094044 /nfs/dbraw/zinc/09/40/44/1380094044.db2.gz KCPAUSPQASYQTF-QRMWTIMZSA-N 2 0 349.563 3.432 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001284701728 1380116718 /nfs/dbraw/zinc/11/67/18/1380116718.db2.gz DYGDJBXBCYDAAU-XLIONFOSSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001284718562 1380136884 /nfs/dbraw/zinc/13/68/84/1380136884.db2.gz BLIKFUQLLXSHRK-QFBILLFUSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001328023526 1388647010 /nfs/dbraw/zinc/64/70/10/1388647010.db2.gz PBNQBJMUYSDJDJ-VOTSOKGWSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001284726497 1380147280 /nfs/dbraw/zinc/14/72/80/1380147280.db2.gz ZDZRVBJQXHNBQT-XFHJGTJQSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1)[NH+](CC)CC ZINC001284790331 1380211989 /nfs/dbraw/zinc/21/19/89/1380211989.db2.gz SGOHUFKJCUAJGM-ACBHZAAOSA-N 2 0 349.494 3.025 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001328097967 1388669236 /nfs/dbraw/zinc/66/92/36/1388669236.db2.gz KAVAHYBXXQOROC-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CCCCC1)[NH+](C)C ZINC001328734153 1388832176 /nfs/dbraw/zinc/83/21/76/1388832176.db2.gz VSBGHSXPOISRKI-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@@H+]1CCC[C@@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC001328789685 1388865091 /nfs/dbraw/zinc/86/50/91/1388865091.db2.gz VTRMBKHTEYBZSA-INIZCTEOSA-N 2 0 337.471 3.141 10 0 EGAERP C[C@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001301481983 1383717501 /nfs/dbraw/zinc/71/75/01/1383717501.db2.gz OGEQDPKRICQIEN-SJLPKXTDSA-N 2 0 347.503 3.068 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2)c1ccccc1 ZINC001168337414 1383876880 /nfs/dbraw/zinc/87/68/80/1383876880.db2.gz FDUBZGIBQOIJJN-OTWHNJEPSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001316632769 1384495431 /nfs/dbraw/zinc/49/54/31/1384495431.db2.gz IPDQXOHUMXRQSI-NCXUSEDFSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001316650797 1384505731 /nfs/dbraw/zinc/50/57/31/1384505731.db2.gz JASCWVYJAPYIRQ-GSEOLPGOSA-N 2 0 349.563 3.172 10 0 EGAERP CCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316679300 1384520289 /nfs/dbraw/zinc/52/02/89/1384520289.db2.gz AVYKBYKWZBMJJV-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001316706965 1384531877 /nfs/dbraw/zinc/53/18/77/1384531877.db2.gz YTSUHPTWDPLEPG-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001316710276 1384533423 /nfs/dbraw/zinc/53/34/23/1384533423.db2.gz XHXWMEBOYCQVID-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001316811339 1384608004 /nfs/dbraw/zinc/60/80/04/1384608004.db2.gz MKNMPXVYZFGOGA-FNYRVFDFSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)[NH+](C)C ZINC001316811621 1384609673 /nfs/dbraw/zinc/60/96/73/1384609673.db2.gz NPYOUZHHYHLLQT-RBUKOAKNSA-N 2 0 345.531 3.134 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001316832295 1384624327 /nfs/dbraw/zinc/62/43/27/1384624327.db2.gz AAJDIQOMSNBRSQ-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)c1ccc(F)cc1 ZINC001316898718 1384677616 /nfs/dbraw/zinc/67/76/16/1384677616.db2.gz FBULUOXVDWUSCI-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001316930562 1384700907 /nfs/dbraw/zinc/70/09/07/1384700907.db2.gz GFLBLWWQQVDUDK-LJQANCHMSA-N 2 0 337.552 3.362 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317037820 1384808713 /nfs/dbraw/zinc/80/87/13/1384808713.db2.gz AKJIUQWGIWUKJV-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001317050216 1384826567 /nfs/dbraw/zinc/82/65/67/1384826567.db2.gz POFVSFYKYBEBEM-BGYRXZFFSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)cc1 ZINC001317064845 1384835198 /nfs/dbraw/zinc/83/51/98/1384835198.db2.gz SXBKAJWZGQLACV-FQEVSTJZSA-N 2 0 343.515 3.133 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC001317100204 1384863475 /nfs/dbraw/zinc/86/34/75/1384863475.db2.gz OGAPXINJNXXXNX-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317142145 1384910632 /nfs/dbraw/zinc/91/06/32/1384910632.db2.gz ZVDAEHKFTSRTEO-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1C/C=C/c1ccccc1 ZINC001317177165 1384949979 /nfs/dbraw/zinc/94/99/79/1384949979.db2.gz PPIMGZMCMLPBDV-RGFVMQALSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1C/C=C/c1ccccc1 ZINC001317177164 1384950400 /nfs/dbraw/zinc/95/04/00/1384950400.db2.gz PPIMGZMCMLPBDV-JTPHSUOKSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001317284869 1385056786 /nfs/dbraw/zinc/05/67/86/1385056786.db2.gz YPVCLIMIPVOBGD-SJORKVTESA-N 2 0 343.515 3.061 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001317403630 1385117228 /nfs/dbraw/zinc/11/72/28/1385117228.db2.gz AYQQGCUROFPBCL-LNLFQRSKSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CCC2CCCCC2)C1 ZINC001317434675 1385138266 /nfs/dbraw/zinc/13/82/66/1385138266.db2.gz MWFWDUVKQNCAHK-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001317437856 1385140504 /nfs/dbraw/zinc/14/05/04/1385140504.db2.gz YCIPUFZRYFYTDL-AZUAARDMSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCCC1 ZINC001329125657 1388979187 /nfs/dbraw/zinc/97/91/87/1388979187.db2.gz JIUWBVFPLHIDKP-IRXDYDNUSA-N 2 0 345.531 3.077 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC1CCCC1 ZINC001317687504 1385399021 /nfs/dbraw/zinc/39/90/21/1385399021.db2.gz ZZKHOMWODFGUCS-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001317717958 1385419584 /nfs/dbraw/zinc/41/95/84/1385419584.db2.gz KFMWEDXFUYUCCY-VQTJNVASSA-N 2 0 343.515 3.106 10 0 EGAERP CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766804 1385456139 /nfs/dbraw/zinc/45/61/39/1385456139.db2.gz ISHJBRSQVYYPRW-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001317767608 1385457180 /nfs/dbraw/zinc/45/71/80/1385457180.db2.gz RZIDBJCYJNCWBU-IRXDYDNUSA-N 2 0 325.541 3.076 10 0 EGAERP C[NH+](CC(=O)N1CC[C@@H](C[N@@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001317854597 1385538229 /nfs/dbraw/zinc/53/82/29/1385538229.db2.gz QLBZTJTXFCLECR-IBGZPJMESA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)C[C@@H](C)CC)CC1 ZINC001317869646 1385551506 /nfs/dbraw/zinc/55/15/06/1385551506.db2.gz FRXRVHZWUSWHDE-PKOBYXMFSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524807 1385735037 /nfs/dbraw/zinc/73/50/37/1385735037.db2.gz PSYQFUJHRYRWCL-VQTJNVASSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318531572 1385740509 /nfs/dbraw/zinc/74/05/09/1385740509.db2.gz VDSOLMDLPAVBCY-ROUUACIJSA-N 2 0 345.531 3.333 10 0 EGAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001318580317 1385768756 /nfs/dbraw/zinc/76/87/56/1385768756.db2.gz BWJOIJPSMQZWBE-LJQANCHMSA-N 2 0 337.552 3.173 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001318978830 1385907274 /nfs/dbraw/zinc/90/72/74/1385907274.db2.gz KBGZRWXZVWDTGK-OUUBHVDSSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001319379184 1386091778 /nfs/dbraw/zinc/09/17/78/1386091778.db2.gz LZZPEDMIQICFAJ-INIZCTEOSA-N 2 0 344.503 3.107 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001319542195 1386170884 /nfs/dbraw/zinc/17/08/84/1386170884.db2.gz ZGTIUUXRJQUACS-FUHWJXTLSA-N 2 0 325.541 3.122 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]C/C=C/c2ccccc2)CCCC1)[NH+](C)C ZINC001698634154 1406278118 /nfs/dbraw/zinc/27/81/18/1406278118.db2.gz OITBDXFXHJPENU-QHSLDKKCSA-N 2 0 343.515 3.059 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001698634736 1406279579 /nfs/dbraw/zinc/27/95/79/1406279579.db2.gz BUMYJIIVJGNJNA-YSKLNCTFSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001319633446 1386220762 /nfs/dbraw/zinc/22/07/62/1386220762.db2.gz HRSZEKIXMBNUBZ-SFHVURJKSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830798 1386323804 /nfs/dbraw/zinc/32/38/04/1386323804.db2.gz GPTBELDTPNCOSX-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919108 1386390525 /nfs/dbraw/zinc/39/05/25/1386390525.db2.gz SGNMKBMHQSNKRY-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCCC(C)(C)C)C1 ZINC001320114430 1386522649 /nfs/dbraw/zinc/52/26/49/1386522649.db2.gz LBFSYUHVGTUQFD-ZWKOTPCHSA-N 2 0 337.552 3.076 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001320734983 1386704384 /nfs/dbraw/zinc/70/43/84/1386704384.db2.gz PRZKHMXGPAOANB-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC1CCCCCC1)[NH+]1CCCCC1 ZINC001321066257 1386798617 /nfs/dbraw/zinc/79/86/17/1386798617.db2.gz ZLXZRLLUYUUTER-HJWRWDBZSA-N 2 0 349.563 3.483 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCC1=CCCCC1)c1cccc2nccn21 ZINC001321155500 1386824540 /nfs/dbraw/zinc/82/45/40/1386824540.db2.gz NTEGSJHCHHMDJD-SNAWJCMRSA-N 2 0 338.455 3.100 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1cc2ccccc2s1 ZINC001321418810 1386899349 /nfs/dbraw/zinc/89/93/49/1386899349.db2.gz JNCLPDJVOICFAJ-VOTSOKGWSA-N 2 0 345.512 3.004 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001322175328 1387088988 /nfs/dbraw/zinc/08/89/88/1387088988.db2.gz JUZHJWUPOAQCJV-MOPGFXCFSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001322219047 1387106812 /nfs/dbraw/zinc/10/68/12/1387106812.db2.gz QWCPOJZPROMNFZ-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001322229841 1387110690 /nfs/dbraw/zinc/11/06/90/1387110690.db2.gz FUEPXGPLERCZEA-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CC2=CCCCC2)C1 ZINC001322231183 1387112461 /nfs/dbraw/zinc/11/24/61/1387112461.db2.gz RDUXDSATGKWELF-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001182241571 1387130285 /nfs/dbraw/zinc/13/02/85/1387130285.db2.gz NPEUDKDRIVWTPE-IEBWSBKVSA-N 2 0 329.488 3.341 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001322354989 1387168175 /nfs/dbraw/zinc/16/81/75/1387168175.db2.gz UXHJDXHOZLUHLN-RTBURBONSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001329204191 1389021536 /nfs/dbraw/zinc/02/15/36/1389021536.db2.gz XTDUNYRMKOTJPE-IAGOWNOFSA-N 2 0 341.499 3.163 10 0 EGAERP CC[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001329341821 1389067949 /nfs/dbraw/zinc/06/79/49/1389067949.db2.gz HFDNXLJKPDSYPN-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCC1CCCCC1 ZINC001329516133 1389138925 /nfs/dbraw/zinc/13/89/25/1389138925.db2.gz QPAKJEAJADSIFH-LNLFQRSKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001329576174 1389163303 /nfs/dbraw/zinc/16/33/03/1389163303.db2.gz YRQYTPOUYHDBKE-WMZOPIPTSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329731775 1389210563 /nfs/dbraw/zinc/21/05/63/1389210563.db2.gz OBRVLAJJEUNDKH-OAGGEKHMSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1 ZINC001329860642 1389238461 /nfs/dbraw/zinc/23/84/61/1389238461.db2.gz KDOYSKZMOHPRLZ-QLPPCANRSA-N 2 0 341.927 3.020 10 0 EGAERP CCCC[C@@H](C[NH2+]C/C=C\Cl)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001329888324 1389247132 /nfs/dbraw/zinc/24/71/32/1389247132.db2.gz VRNFFMWBEADQMC-ZHMISCPASA-N 2 0 348.878 3.273 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001330474125 1389425570 /nfs/dbraw/zinc/42/55/70/1389425570.db2.gz CUHXWCYHUYNZIZ-SLFFLAALSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001331188481 1389647165 /nfs/dbraw/zinc/64/71/65/1389647165.db2.gz KDUJKFPSZVVWBF-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331439957 1389749619 /nfs/dbraw/zinc/74/96/19/1389749619.db2.gz PTILJTROUJONFK-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331439959 1389749889 /nfs/dbraw/zinc/74/98/89/1389749889.db2.gz PTILJTROUJONFK-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001331519696 1389780655 /nfs/dbraw/zinc/78/06/55/1389780655.db2.gz PYVNTAYTKXCSAL-IAGOWNOFSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001331575258 1389807492 /nfs/dbraw/zinc/80/74/92/1389807492.db2.gz FBMVPLLMGDLHDL-DLBZAZTESA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001331617079 1389831122 /nfs/dbraw/zinc/83/11/22/1389831122.db2.gz RERGTNBTQMKCPQ-OXQOHEQNSA-N 2 0 345.531 3.231 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001331616805 1389831131 /nfs/dbraw/zinc/83/11/31/1389831131.db2.gz RERGTNBTQMKCPQ-JXFKEZNVSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331942314 1389920496 /nfs/dbraw/zinc/92/04/96/1389920496.db2.gz ASROAAGRWFIQNJ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@@H]1C ZINC001332052188 1389959532 /nfs/dbraw/zinc/95/95/32/1389959532.db2.gz XDBFXYKBERJIDS-PXNSSMCTSA-N 2 0 345.531 3.231 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001332162826 1390015101 /nfs/dbraw/zinc/01/51/01/1390015101.db2.gz XTDRWMMVBSHSHL-IEVDXQOXSA-N 2 0 349.563 3.290 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001332207657 1390044276 /nfs/dbraw/zinc/04/42/76/1390044276.db2.gz RYDRNQJCCUXZES-PVTFFILZSA-N 2 0 349.563 3.434 10 0 EGAERP CC1CC[NH+](CC(=O)N2C[C@H]([NH2+]CCCC3CCC3)C(C)(C)C2)CC1 ZINC001332427912 1390114776 /nfs/dbraw/zinc/11/47/76/1390114776.db2.gz MCLLXWQSWPKNEX-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001332710382 1390163414 /nfs/dbraw/zinc/16/34/14/1390163414.db2.gz DPUSCTUNYQVBAO-RBUKOAKNSA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@H]1CCC[NH+]1C ZINC001332722512 1390168398 /nfs/dbraw/zinc/16/83/98/1390168398.db2.gz HTGYXVBIIYAZOV-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826510 1390195695 /nfs/dbraw/zinc/19/56/95/1390195695.db2.gz QCYLSRBYUFBLDM-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001332949704 1390222420 /nfs/dbraw/zinc/22/24/20/1390222420.db2.gz JLPKJWHDEJOVAU-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCCC2)CC1)[NH+](CC)CC ZINC001333399024 1390296885 /nfs/dbraw/zinc/29/68/85/1390296885.db2.gz FTPHIFGWDSNKTM-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)(C)OC(=O)N1CC(C[NH2+]CCCCC[NH+]2CCCCC2)C1 ZINC001333704992 1390379163 /nfs/dbraw/zinc/37/91/63/1390379163.db2.gz KRBZHBHNAUZTRW-UHFFFAOYSA-N 2 0 339.524 3.099 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001698779309 1406446328 /nfs/dbraw/zinc/44/63/28/1406446328.db2.gz ZBYUNGPCHAPKOR-QGZVFWFLSA-N 2 0 341.499 3.022 10 0 EGAERP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)c2)CC1 ZINC001344611879 1390802966 /nfs/dbraw/zinc/80/29/66/1390802966.db2.gz 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10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001479496115 1392257199 /nfs/dbraw/zinc/25/71/99/1392257199.db2.gz XVPRAJLROWZBHY-VQTJNVASSA-N 2 0 347.547 3.237 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CCCC1)CC2 ZINC001479504101 1392259410 /nfs/dbraw/zinc/25/94/10/1392259410.db2.gz RKRWHBMEIFBZNX-GOSISDBHSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001479581597 1392280774 /nfs/dbraw/zinc/28/07/74/1392280774.db2.gz ZEFRIOQKCINOJJ-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001479672277 1392312969 /nfs/dbraw/zinc/31/29/69/1392312969.db2.gz PHUGBOBCDRKMKJ-ZCNNSNEGSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)[C@@H]1C ZINC001479729757 1392341530 /nfs/dbraw/zinc/34/15/30/1392341530.db2.gz ISGWNGFDNIFELT-AEFFLSMTSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccc(F)c1 ZINC001479861243 1392439808 /nfs/dbraw/zinc/43/98/08/1392439808.db2.gz LFADTLVXPIHHJL-IAGOWNOFSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1)C1CCC1 ZINC001479904980 1392472294 /nfs/dbraw/zinc/47/22/94/1392472294.db2.gz KIIFKSBBNCOBDF-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001479968651 1392504929 /nfs/dbraw/zinc/50/49/29/1392504929.db2.gz GSVQSLUDLFUSQH-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001479984824 1392517323 /nfs/dbraw/zinc/51/73/23/1392517323.db2.gz HVXSQLUXHSESLW-ICUWKNINSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001479989205 1392520335 /nfs/dbraw/zinc/52/03/35/1392520335.db2.gz ZYUOCEPNRIQZHQ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001479988859 1392520549 /nfs/dbraw/zinc/52/05/49/1392520549.db2.gz VNEASTJUXWBNBU-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001479996227 1392528031 /nfs/dbraw/zinc/52/80/31/1392528031.db2.gz AXALROKANKWFAI-KRWDZBQOSA-N 2 0 325.541 3.076 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C2CC2)C1 ZINC001480041637 1392547242 /nfs/dbraw/zinc/54/72/42/1392547242.db2.gz SVDBTEODUJEKKV-PMACEKPBSA-N 2 0 347.547 3.093 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001480085174 1392575100 /nfs/dbraw/zinc/57/51/00/1392575100.db2.gz QJALRQNYEDOWBH-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480188611 1392617980 /nfs/dbraw/zinc/61/79/80/1392617980.db2.gz WNDLONPBFCKYMZ-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001480206918 1392622674 /nfs/dbraw/zinc/62/26/74/1392622674.db2.gz QARKSMGRXZVWHI-AXHPFZFWSA-N 2 0 335.517 3.016 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001480222796 1392626500 /nfs/dbraw/zinc/62/65/00/1392626500.db2.gz OFZKHBSLPKLCHH-LMCOJAPRSA-N 2 0 345.531 3.413 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001480236877 1392630851 /nfs/dbraw/zinc/63/08/51/1392630851.db2.gz FDSJGGHEHCBPQB-KDURUIRLSA-N 2 0 347.547 3.070 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001480261988 1392645634 /nfs/dbraw/zinc/64/56/34/1392645634.db2.gz QTHBIXFZHOXMEZ-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001480287571 1392660532 /nfs/dbraw/zinc/66/05/32/1392660532.db2.gz ZQMDTDQBKJQVFV-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480296709 1392664383 /nfs/dbraw/zinc/66/43/83/1392664383.db2.gz DAXVJFODMJHQKV-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001480304527 1392668252 /nfs/dbraw/zinc/66/82/52/1392668252.db2.gz YTNHDGVYLWNVBG-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480322936 1392683286 /nfs/dbraw/zinc/68/32/86/1392683286.db2.gz HPVXKTILHKIWPI-CXLTZZKYSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001480328235 1392688240 /nfs/dbraw/zinc/68/82/40/1392688240.db2.gz PGWFSBRMJOGJBR-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCCC2)CC1 ZINC001480359099 1392704472 /nfs/dbraw/zinc/70/44/72/1392704472.db2.gz IMWXAMBQAMZWQX-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCCC2)CC1 ZINC001480358358 1392704536 /nfs/dbraw/zinc/70/45/36/1392704536.db2.gz QOYZJQCJXXXGNX-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001480368233 1392710609 /nfs/dbraw/zinc/71/06/09/1392710609.db2.gz UVOCRUMWZMFLBY-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480373312 1392715163 /nfs/dbraw/zinc/71/51/63/1392715163.db2.gz OXLIUSGIUQYXAC-RBUKOAKNSA-N 2 0 337.552 3.362 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001480384572 1392728411 /nfs/dbraw/zinc/72/84/11/1392728411.db2.gz WVUZHQIXOYUJNI-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](F)C[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001480411202 1392747216 /nfs/dbraw/zinc/74/72/16/1392747216.db2.gz IESBTWJZCOZRDJ-LMDPOFIKSA-N 2 0 349.494 3.127 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001480413474 1392748466 /nfs/dbraw/zinc/74/84/66/1392748466.db2.gz XZKOUUOCDUEDPP-CTWPCTMYSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)Cc2c[nH]cn2)cc1 ZINC001480552642 1392789911 /nfs/dbraw/zinc/78/99/11/1392789911.db2.gz KZMAOQSNTHYCNG-JKSUJKDBSA-N 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C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001481118839 1393124478 /nfs/dbraw/zinc/12/44/78/1393124478.db2.gz NCJXDDGQYOBSDW-IRXDYDNUSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1=CCCCC1 ZINC001481350293 1393172894 /nfs/dbraw/zinc/17/28/94/1393172894.db2.gz KGINLSBMGCQBCD-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001698927631 1406663609 /nfs/dbraw/zinc/66/36/09/1406663609.db2.gz GAERBJFTGJNMNF-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481411610 1394270699 /nfs/dbraw/zinc/27/06/99/1394270699.db2.gz GHOBQWOVTWYWHL-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC2CCC2)C1 ZINC001481485499 1394330364 /nfs/dbraw/zinc/33/03/64/1394330364.db2.gz HGMRVRCNVQZQRE-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001698949625 1406689437 /nfs/dbraw/zinc/68/94/37/1406689437.db2.gz IWLPKQYTMXKJAJ-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001490976758 1394389701 /nfs/dbraw/zinc/38/97/01/1394389701.db2.gz GWOJDZYPOIHKIH-VOBGVNJCSA-N 2 0 343.515 3.199 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490980118 1394391226 /nfs/dbraw/zinc/39/12/26/1394391226.db2.gz BTUYZTAIVZNDPQ-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001481696736 1394457744 /nfs/dbraw/zinc/45/77/44/1394457744.db2.gz SQYJEZHOUSDMAW-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001491229058 1394484688 /nfs/dbraw/zinc/48/46/88/1394484688.db2.gz CGRHQZXSKXHUAL-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001491251384 1394491366 /nfs/dbraw/zinc/49/13/66/1394491366.db2.gz OITIDNFZNFZSDS-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001491642357 1394524022 /nfs/dbraw/zinc/52/40/22/1394524022.db2.gz VTERIYRAUJXJAP-FXAWDEMLSA-N 2 0 343.515 3.274 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855289 1394561210 /nfs/dbraw/zinc/56/12/10/1394561210.db2.gz KNVUZQAMRLSUCS-UYAOXDASSA-N 2 0 345.531 3.244 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001481880547 1394574551 /nfs/dbraw/zinc/57/45/51/1394574551.db2.gz GMEKTWGEYJHHKG-LSDHHAIUSA-N 2 0 339.911 3.226 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001481910149 1394591839 /nfs/dbraw/zinc/59/18/39/1394591839.db2.gz HJRYOYYCMYTHRY-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482331943 1394901551 /nfs/dbraw/zinc/90/15/51/1394901551.db2.gz WHWASLCPCISFFQ-LVMGUKCRSA-N 2 0 345.531 3.114 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CCCCC2)C1 ZINC001482413436 1394977099 /nfs/dbraw/zinc/97/70/99/1394977099.db2.gz NSSGRLLTFPHECE-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001483836598 1395104347 /nfs/dbraw/zinc/10/43/47/1395104347.db2.gz FMJJFGKKSXNLJA-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001483841920 1395107984 /nfs/dbraw/zinc/10/79/84/1395107984.db2.gz KVAXGMCDILUKRW-QYUKCPRWSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001484001725 1395179101 /nfs/dbraw/zinc/17/91/01/1395179101.db2.gz RXOVCLPUWGFVFC-OALUTQOASA-N 2 0 335.536 3.066 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001484122521 1395264677 /nfs/dbraw/zinc/26/46/77/1395264677.db2.gz SGLCBCWRDILNGP-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484138912 1395275559 /nfs/dbraw/zinc/27/55/59/1395275559.db2.gz RHARJNWJAIWPHO-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001484470855 1395405848 /nfs/dbraw/zinc/40/58/48/1395405848.db2.gz VAFOWPBKKOLPSB-XUVXKRRUSA-N 2 0 349.563 3.218 10 0 EGAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001484641025 1395459070 /nfs/dbraw/zinc/45/90/70/1395459070.db2.gz MIOUDPHSNHJNDN-HNNXBMFYSA-N 2 0 341.515 3.016 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCC1 ZINC001484653084 1395463783 /nfs/dbraw/zinc/46/37/83/1395463783.db2.gz LURREPUFSWBUBO-LJQANCHMSA-N 2 0 341.515 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CCC(C)(C)C ZINC001484743660 1395500046 /nfs/dbraw/zinc/50/00/46/1395500046.db2.gz FQINQBBZMWQOTO-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001484827866 1395566414 /nfs/dbraw/zinc/56/64/14/1395566414.db2.gz WZWSBAQYSHUSRS-SBHAEUEKSA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001484831033 1395568405 /nfs/dbraw/zinc/56/84/05/1395568405.db2.gz RHIJAVSYIKIKFF-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179719 1395688339 /nfs/dbraw/zinc/68/83/39/1395688339.db2.gz JANXRDBUDCWCBV-QZTJIDSGSA-N 2 0 345.531 3.161 10 0 EGAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485356234 1395829729 /nfs/dbraw/zinc/82/97/29/1395829729.db2.gz AZMNBDVWDRGCHW-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485356236 1395830854 /nfs/dbraw/zinc/83/08/54/1395830854.db2.gz AZMNBDVWDRGCHW-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H]([NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001485736003 1396122910 /nfs/dbraw/zinc/12/29/10/1396122910.db2.gz MUFGZSSITKLMPS-PXNSSMCTSA-N 2 0 345.531 3.354 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001486123718 1396178845 /nfs/dbraw/zinc/17/88/45/1396178845.db2.gz GXJORWLZQXRPEM-DLBZAZTESA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001486249612 1396189498 /nfs/dbraw/zinc/18/94/98/1396189498.db2.gz PEIBPYRJICPZQO-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001503200480 1396247231 /nfs/dbraw/zinc/24/72/31/1396247231.db2.gz WESXICQVBLURHO-FXAWDEMLSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001503473283 1396255512 /nfs/dbraw/zinc/25/55/12/1396255512.db2.gz KJXGCSTXGMSFCR-IRXDYDNUSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001492165239 1396310830 /nfs/dbraw/zinc/31/08/30/1396310830.db2.gz QBIAFUNIAHKVPH-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001493126766 1396336316 /nfs/dbraw/zinc/33/63/16/1396336316.db2.gz ZNSQGMZXYKJLOO-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493830757 1396343424 /nfs/dbraw/zinc/34/34/24/1396343424.db2.gz PISPNUSTCMMWSP-ZEVQVBBLSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCCC3CCC3)C2)CC[N@@H+]1C ZINC001494134453 1396377861 /nfs/dbraw/zinc/37/78/61/1396377861.db2.gz GHHWEXMHYANGLB-HSALFYBXSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001495494913 1396537506 /nfs/dbraw/zinc/53/75/06/1396537506.db2.gz IHAWJSAABAUUDV-SNAWJCMRSA-N 2 0 343.515 3.091 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)cc1C ZINC001496576193 1396716557 /nfs/dbraw/zinc/71/65/57/1396716557.db2.gz WTUYYHXSJCWBJX-PMACEKPBSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001497275406 1396743371 /nfs/dbraw/zinc/74/33/71/1396743371.db2.gz HOMARHVGLINBAG-OALUTQOASA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001497765653 1396835188 /nfs/dbraw/zinc/83/51/88/1396835188.db2.gz SRHBUSDCMVPCAA-NFAHFFEMSA-N 2 0 337.895 3.003 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001689267923 1396999188 /nfs/dbraw/zinc/99/91/88/1396999188.db2.gz UEXWKKKPYVNYOX-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001689271085 1397004576 /nfs/dbraw/zinc/00/45/76/1397004576.db2.gz BWROZOIPVFROST-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001689352582 1403682331 /nfs/dbraw/zinc/68/23/31/1403682331.db2.gz JIVLIAYWXPMBKZ-PRPIBZDOSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001690023261 1404261542 /nfs/dbraw/zinc/26/15/42/1404261542.db2.gz KAXFFTDYQWLVIZ-GUKSKWGUSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001690302043 1404461302 /nfs/dbraw/zinc/46/13/02/1404461302.db2.gz UINRYZQOPSRAEJ-NSISKUIASA-N 2 0 345.531 3.448 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001690312252 1404468473 /nfs/dbraw/zinc/46/84/73/1404468473.db2.gz JKPXUJHVJNWNLN-IHWFROFDSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001690317774 1404474841 /nfs/dbraw/zinc/47/48/41/1404474841.db2.gz KNJGFEWAHZDJEZ-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690383375 1404515136 /nfs/dbraw/zinc/51/51/36/1404515136.db2.gz NMNVQQOTXAPJNL-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](C[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001690405983 1404542340 /nfs/dbraw/zinc/54/23/40/1404542340.db2.gz TXHFUBPNCNSZQE-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690414392 1404546634 /nfs/dbraw/zinc/54/66/34/1404546634.db2.gz XKDWBBOMISZWJB-HMECNJMJSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C/c1ccccc1)[NH+](C)C ZINC001690448829 1404573586 /nfs/dbraw/zinc/57/35/86/1404573586.db2.gz RKKWYJRUFUBCJV-WANZOYLWSA-N 2 0 343.515 3.011 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001690477784 1404598865 /nfs/dbraw/zinc/59/88/65/1404598865.db2.gz UHDBPIPBQXQKJN-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001690772892 1404722498 /nfs/dbraw/zinc/72/24/98/1404722498.db2.gz YGWXCPPBFHHLAY-RBUKOAKNSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001690842924 1404772107 /nfs/dbraw/zinc/77/21/07/1404772107.db2.gz HOYHHNWPDJVDAT-ROUUACIJSA-N 2 0 335.536 3.092 10 0 EGAERP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001690901514 1404808798 /nfs/dbraw/zinc/80/87/98/1404808798.db2.gz IFDANBMCYZCQGC-IBGZPJMESA-N 2 0 347.547 3.166 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001690919560 1404828836 /nfs/dbraw/zinc/82/88/36/1404828836.db2.gz SKNPJNGEMZXXSJ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](CCC(=O)NCC[N@@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C1CCCCC1 ZINC001690965301 1404873333 /nfs/dbraw/zinc/87/33/33/1404873333.db2.gz YTWXZTIWUBGEQG-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690968140 1404874699 /nfs/dbraw/zinc/87/46/99/1404874699.db2.gz OAZGLQSYPHNHPB-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCC[C@H](CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690968138 1404875397 /nfs/dbraw/zinc/87/53/97/1404875397.db2.gz OAZGLQSYPHNHPB-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001725409339 1426054584 /nfs/dbraw/zinc/05/45/84/1426054584.db2.gz UJKZERVUHAPQFB-MRXNPFEDSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725777364 1426461919 /nfs/dbraw/zinc/46/19/19/1426461919.db2.gz VAIUIHIZBCKVHX-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1)[NH+](C)C ZINC001691263417 1405184322 /nfs/dbraw/zinc/18/43/22/1405184322.db2.gz QNIMETKBDVRUIX-OTWHNJEPSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691277063 1405188281 /nfs/dbraw/zinc/18/82/81/1405188281.db2.gz NJFHAACDZVZVGD-JLAWEPINSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691352368 1405211345 /nfs/dbraw/zinc/21/13/45/1405211345.db2.gz UGDXKUDUFPPTJR-LJQANCHMSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691407077 1405245495 /nfs/dbraw/zinc/24/54/95/1405245495.db2.gz XXQGTKWFLZSZJD-HXUWFJFHSA-N 2 0 345.531 3.331 10 0 EGAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001691409210 1405246465 /nfs/dbraw/zinc/24/64/65/1405246465.db2.gz ZFOJOWNTZJHVDI-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP Cc1cccc(C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC001691408718 1405246628 /nfs/dbraw/zinc/24/66/28/1405246628.db2.gz IMJBZNXSYFMCQU-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001691518442 1405317348 /nfs/dbraw/zinc/31/73/48/1405317348.db2.gz MXQIXBRVTFMXPY-RBUKOAKNSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691601783 1405351825 /nfs/dbraw/zinc/35/18/25/1405351825.db2.gz KVDGZFPXDKUYIT-DLBZAZTESA-N 2 0 340.471 3.097 10 0 EGAERP CC1CC(C[NH2+][C@@H]2CCCCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001691636225 1405372090 /nfs/dbraw/zinc/37/20/90/1405372090.db2.gz CZSJBOZIHLLHGL-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001691636927 1405372480 /nfs/dbraw/zinc/37/24/80/1405372480.db2.gz PHSLRDQDADGFAD-UYAOXDASSA-N 2 0 345.531 3.449 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C1 ZINC001691656871 1405390014 /nfs/dbraw/zinc/39/00/14/1405390014.db2.gz VEPRYYUZIBJPIU-TXPKVOOTSA-N 2 0 349.494 3.103 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001691674786 1405408660 /nfs/dbraw/zinc/40/86/60/1405408660.db2.gz LYHROZIUTNDKHK-RBUKOAKNSA-N 2 0 345.531 3.239 10 0 EGAERP CC[C@H]([NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001691678649 1405413652 /nfs/dbraw/zinc/41/36/52/1405413652.db2.gz OLNBUUSIIKBZOR-XLIONFOSSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691690958 1405425736 /nfs/dbraw/zinc/42/57/36/1405425736.db2.gz XDOXIEYAEHXIDN-SFHVURJKSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001691726043 1405449406 /nfs/dbraw/zinc/44/94/06/1405449406.db2.gz CNXSLNTYWLUXKX-UHFFFAOYSA-N 2 0 337.552 3.434 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001691766589 1405479467 /nfs/dbraw/zinc/47/94/67/1405479467.db2.gz CEADGIXXFDYJJM-MOPGFXCFSA-N 2 0 331.504 3.060 10 0 EGAERP O=C(NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001691796989 1405507830 /nfs/dbraw/zinc/50/78/30/1405507830.db2.gz AAQFFYUIJPMJGM-WGSAOQKQSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CCCC1CCC1 ZINC001691798291 1405509674 /nfs/dbraw/zinc/50/96/74/1405509674.db2.gz BZOVPLPLBGCSHK-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001731306792 1427248464 /nfs/dbraw/zinc/24/84/64/1427248464.db2.gz JILQCTKRKDRXEO-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001691857778 1405575242 /nfs/dbraw/zinc/57/52/42/1405575242.db2.gz PTRXQFWNOIAWIY-QUCCMNQESA-N 2 0 347.547 3.189 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691860909 1405578902 /nfs/dbraw/zinc/57/89/02/1405578902.db2.gz NAVMGJIZYQFCAO-QUCCMNQESA-N 2 0 347.547 3.142 10 0 EGAERP CCCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864890 1405584850 /nfs/dbraw/zinc/58/48/50/1405584850.db2.gz WHSFNHJPNUYGII-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001691866994 1405586512 /nfs/dbraw/zinc/58/65/12/1405586512.db2.gz KTMLTEWNAXRTTG-AZUAARDMSA-N 2 0 345.531 3.401 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691919916 1405648755 /nfs/dbraw/zinc/64/87/55/1405648755.db2.gz RJXPFFXTSHLJKK-SXLOBPIMSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691960332 1405677585 /nfs/dbraw/zinc/67/75/85/1405677585.db2.gz PAARJFMENXBUJA-IHHMQQGQSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H]1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001692098019 1405770295 /nfs/dbraw/zinc/77/02/95/1405770295.db2.gz UPCGJTMEQKTRLK-RLLQIKCJSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C)[NH+](C)C ZINC001692172984 1405821393 /nfs/dbraw/zinc/82/13/93/1405821393.db2.gz DXUFYOJTVUJRDA-NEWSRXKRSA-N 2 0 335.536 3.042 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+]1CC(C)C ZINC001692226670 1405856611 /nfs/dbraw/zinc/85/66/11/1405856611.db2.gz AUIKOYOFSLRGLK-IPMKNSEASA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001692234560 1405861390 /nfs/dbraw/zinc/86/13/90/1405861390.db2.gz OOMINZCWCZXXDY-HTWXZYLJSA-N 2 0 343.515 3.297 10 0 EGAERP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692318589 1405937741 /nfs/dbraw/zinc/93/77/41/1405937741.db2.gz DXCRGDCMQLIHTO-CEXWTWQISA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601964 1406227464 /nfs/dbraw/zinc/22/74/64/1406227464.db2.gz XQTIMPYXTHEVFK-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCc1cccc(C[NH2+][C@H](CC)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001698608083 1406236828 /nfs/dbraw/zinc/23/68/28/1406236828.db2.gz GSCICXPYLNHKHJ-LJQANCHMSA-N 2 0 345.531 3.108 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001732040303 1428267857 /nfs/dbraw/zinc/26/78/57/1428267857.db2.gz BXVXPLVZIODFCN-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732050825 1428290069 /nfs/dbraw/zinc/29/00/69/1428290069.db2.gz YWVVJWWBRYFQLM-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCC(C)(C)C ZINC001732205148 1428454715 /nfs/dbraw/zinc/45/47/15/1428454715.db2.gz HTSBMQKQTYBROI-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](CC)c1ccccc1 ZINC001732206282 1428455718 /nfs/dbraw/zinc/45/57/18/1428455718.db2.gz SEVHQUBUFKUQLA-RTBURBONSA-N 2 0 345.531 3.497 10 0 EGAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213440 1428461632 /nfs/dbraw/zinc/46/16/32/1428461632.db2.gz ZXVHJRNQQMAARX-SJLPKXTDSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[NH2+]C[C@@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@H]1C ZINC001732258270 1428498823 /nfs/dbraw/zinc/49/88/23/1428498823.db2.gz CPRQKKPWZNJOEN-UTKZUKDTSA-N 2 0 345.531 3.427 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH2+]CC3CCCC3)CC2)CC[N@@H+]1C ZINC001732292253 1428516929 /nfs/dbraw/zinc/51/69/29/1428516929.db2.gz KVBGBUHWIHJUHF-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001732310618 1428524102 /nfs/dbraw/zinc/52/41/02/1428524102.db2.gz UYFCBYSOFFLWCB-GUDVDZBRSA-N 2 0 349.494 3.246 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001732311225 1428524336 /nfs/dbraw/zinc/52/43/36/1428524336.db2.gz WJOGIUREEMMJJT-KZNAEPCWSA-N 2 0 349.544 3.140 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001732404813 1428568292 /nfs/dbraw/zinc/56/82/92/1428568292.db2.gz BZQIUQHOBVPIJJ-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732423894 1428575280 /nfs/dbraw/zinc/57/52/80/1428575280.db2.gz APTVQNSSRGZNJT-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732470020 1428598444 /nfs/dbraw/zinc/59/84/44/1428598444.db2.gz PRTOSJXSGZVAKQ-QZTJIDSGSA-N 2 0 325.541 3.027 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001732518820 1428637664 /nfs/dbraw/zinc/63/76/64/1428637664.db2.gz KYMFNOPFGMMLJP-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C ZINC001699112553 1412515919 /nfs/dbraw/zinc/51/59/19/1412515919.db2.gz MMVIOHGKCNFUBE-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](CC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699125003 1412521937 /nfs/dbraw/zinc/52/19/37/1412521937.db2.gz CYSIPXFPSFLWBJ-HZPDHXFCSA-N 2 0 349.494 3.246 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001699210261 1412576304 /nfs/dbraw/zinc/57/63/04/1412576304.db2.gz CUFWMSSRFVUBTL-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CC[C@H](C(=O)N(CC)CC[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001699213534 1412579033 /nfs/dbraw/zinc/57/90/33/1412579033.db2.gz DUSXYNNKUWEDBJ-HXUWFJFHSA-N 2 0 341.499 3.118 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1Cl ZINC001699258103 1412600932 /nfs/dbraw/zinc/60/09/32/1412600932.db2.gz BJQDSNQQRUIAJR-GGLWBYQJSA-N 2 0 349.906 3.003 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC001699273391 1412609169 /nfs/dbraw/zinc/60/91/69/1412609169.db2.gz FTOSLSNXOSLUCX-XDWWLABZSA-N 2 0 349.906 3.147 10 0 EGAERP CC1CC[NH+](CC(=O)NC/C=C\C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001699324305 1412639534 /nfs/dbraw/zinc/63/95/34/1412639534.db2.gz LDTPHNRSSXCPKE-QZPVUJMKSA-N 2 0 349.563 3.197 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001699416271 1412730183 /nfs/dbraw/zinc/73/01/83/1412730183.db2.gz ABJNJMFGPLWMRD-HKUYNNGSSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C ZINC001699459110 1412809858 /nfs/dbraw/zinc/80/98/58/1412809858.db2.gz IGFGJKMXBMRZEV-PBHICJAKSA-N 2 0 339.911 3.179 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001699605125 1412968508 /nfs/dbraw/zinc/96/85/08/1412968508.db2.gz IIDLJJFAFCSBIS-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001699623140 1412987768 /nfs/dbraw/zinc/98/77/68/1412987768.db2.gz YPIYMUPZHZNHEH-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC=C(C)C)[NH+](CC)CC ZINC001699690701 1413095464 /nfs/dbraw/zinc/09/54/64/1413095464.db2.gz JHSLVHRDCDDSRF-CEXWTWQISA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001699703012 1413117954 /nfs/dbraw/zinc/11/79/54/1413117954.db2.gz FMLLMCVYJAOLKK-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001699704585 1413119873 /nfs/dbraw/zinc/11/98/73/1413119873.db2.gz HWQFNSUCIGRFTN-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001699805189 1413218326 /nfs/dbraw/zinc/21/83/26/1413218326.db2.gz NMEISQRBLQDPPJ-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+](CCC3CC3)C2)C1 ZINC001699806147 1413220083 /nfs/dbraw/zinc/22/00/83/1413220083.db2.gz GNOXMYOLLVKFNM-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001699864471 1413300265 /nfs/dbraw/zinc/30/02/65/1413300265.db2.gz VUZGXKBOWGLCML-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001699876441 1413334563 /nfs/dbraw/zinc/33/45/63/1413334563.db2.gz YATJNBUEISSIIG-PRPIBZDOSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001699929508 1413370443 /nfs/dbraw/zinc/37/04/43/1413370443.db2.gz SYFLBBCYNDOLMX-OTWHNJEPSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001700014489 1413458916 /nfs/dbraw/zinc/45/89/16/1413458916.db2.gz VDLJBUZUSHDBDI-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001700091929 1413505269 /nfs/dbraw/zinc/50/52/69/1413505269.db2.gz UBSUUUJMTPZVIS-GOSISDBHSA-N 2 0 345.531 3.123 10 0 EGAERP CC(C)[N@@H+]1CCc2c(CNC(=O)C[NH+](C)CC(C)(C)C)cccc2C1 ZINC001700123117 1413538297 /nfs/dbraw/zinc/53/82/97/1413538297.db2.gz SAUWUXPRAVYVCW-UHFFFAOYSA-N 2 0 345.531 3.047 10 0 EGAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccc(C(C)(C)C)cc2)CCC1 ZINC001700135627 1413552628 /nfs/dbraw/zinc/55/26/28/1413552628.db2.gz FCNAFNZXLBCIGA-UHFFFAOYSA-N 2 0 345.531 3.064 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001700158495 1413571177 /nfs/dbraw/zinc/57/11/77/1413571177.db2.gz WSCSVVFIVCWYKB-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700178633 1413589438 /nfs/dbraw/zinc/58/94/38/1413589438.db2.gz KMMCECITNUDXOD-INPAECQJSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C/C=C/c2ccccc2)CC1 ZINC001700183336 1413599137 /nfs/dbraw/zinc/59/91/37/1413599137.db2.gz DLDMIEGCKBMZCM-OEMHODTASA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH+](C)CCCC2CCC2)CC[N@@H+]1C ZINC001700189781 1413616515 /nfs/dbraw/zinc/61/65/15/1413616515.db2.gz RIPVPYKDDBIEOO-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP CN(CCC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700190166 1413617649 /nfs/dbraw/zinc/61/76/49/1413617649.db2.gz KXFNOGQWGNIEFA-CEXWTWQISA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC1=CCCCC1 ZINC001700195478 1413634852 /nfs/dbraw/zinc/63/48/52/1413634852.db2.gz NXYABTCXFYLTIX-QZTJIDSGSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CC=C(C)C)C2)C1 ZINC001700197867 1413640015 /nfs/dbraw/zinc/64/00/15/1413640015.db2.gz NMLVVWGSYJASNA-PMACEKPBSA-N 2 0 349.563 3.245 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001700229364 1413687104 /nfs/dbraw/zinc/68/71/04/1413687104.db2.gz IYFHZCMKGUXDRC-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558626 1428747288 /nfs/dbraw/zinc/74/72/88/1428747288.db2.gz LQHHCISUTIEEBB-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001700280800 1413725936 /nfs/dbraw/zinc/72/59/36/1413725936.db2.gz YKYNJHLGZFUFSO-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001700283441 1413729772 /nfs/dbraw/zinc/72/97/72/1413729772.db2.gz ISKZDTTZJWPKKT-SFHVURJKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001700284363 1413731025 /nfs/dbraw/zinc/73/10/25/1413731025.db2.gz WFKCNQUBJAMBIX-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001700286655 1413734330 /nfs/dbraw/zinc/73/43/30/1413734330.db2.gz YKGWXHRWKHLZEL-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccccc1C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700516490 1414168467 /nfs/dbraw/zinc/16/84/67/1414168467.db2.gz ALNRHPOJLUOGCH-YZGWKJHDSA-N 2 0 345.531 3.100 10 0 EGAERP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700520450 1414175459 /nfs/dbraw/zinc/17/54/59/1414175459.db2.gz MIGPZFMHDGPFIN-BZSNNMDCSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@H](F)C[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001700521521 1414177413 /nfs/dbraw/zinc/17/74/13/1414177413.db2.gz OSPCLNLRMJNHSM-KRWDZBQOSA-N 2 0 341.515 3.019 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001700545536 1414213699 /nfs/dbraw/zinc/21/36/99/1414213699.db2.gz JCQPZRXTOWPPRW-ZBKUBXTQSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700575751 1414250626 /nfs/dbraw/zinc/25/06/26/1414250626.db2.gz YVRZTEUFPSJAIN-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700682414 1414336026 /nfs/dbraw/zinc/33/60/26/1414336026.db2.gz QJVGHPOFBYXRSJ-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CCC[NH2+]CC1CC1)c1ccccc1 ZINC001700708940 1414363276 /nfs/dbraw/zinc/36/32/76/1414363276.db2.gz ANQMATYUZFZOPT-WOJBJXKFSA-N 2 0 343.515 3.108 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700724493 1414385958 /nfs/dbraw/zinc/38/59/58/1414385958.db2.gz JFWUBDVWNHLNGC-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCCC1)CC2 ZINC001700868614 1414521417 /nfs/dbraw/zinc/52/14/17/1414521417.db2.gz ROMKFEARLQNBGM-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001700872714 1414526070 /nfs/dbraw/zinc/52/60/70/1414526070.db2.gz HWKYLLUUPKSFCN-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001700873595 1414527566 /nfs/dbraw/zinc/52/75/66/1414527566.db2.gz NJMSXEQODKNHHX-ZCNNSNEGSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001700880966 1414536934 /nfs/dbraw/zinc/53/69/34/1414536934.db2.gz NRSIAOBDXGFICD-ROUUACIJSA-N 2 0 337.552 3.410 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905740 1414560825 /nfs/dbraw/zinc/56/08/25/1414560825.db2.gz VGHQUOZGTYQUNS-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001700922695 1414575284 /nfs/dbraw/zinc/57/52/84/1414575284.db2.gz DDESRFBGKBJCHH-ZWKOTPCHSA-N 2 0 335.536 3.042 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001701008572 1414666376 /nfs/dbraw/zinc/66/63/76/1414666376.db2.gz RUEBNZVWYONAFI-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001701019438 1414680037 /nfs/dbraw/zinc/68/00/37/1414680037.db2.gz WAASUWBMSFMABZ-UHFFFAOYSA-N 2 0 337.552 3.410 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001732621841 1428884738 /nfs/dbraw/zinc/88/47/38/1428884738.db2.gz VDVSXTOVFSVLHF-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001732701662 1428916556 /nfs/dbraw/zinc/91/65/56/1428916556.db2.gz ZISAWUNYFVKGNK-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001732728658 1428931590 /nfs/dbraw/zinc/93/15/90/1428931590.db2.gz KMLAPKVOIVYZFX-ROUUACIJSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734828 1428936105 /nfs/dbraw/zinc/93/61/05/1428936105.db2.gz UEEMIWGXJGILIK-SJLPKXTDSA-N 2 0 337.552 3.170 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001732779605 1428965584 /nfs/dbraw/zinc/96/55/84/1428965584.db2.gz XIAVTDHQYJXZQX-KBAYOESNSA-N 2 0 340.471 3.021 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001732974220 1429101264 /nfs/dbraw/zinc/10/12/64/1429101264.db2.gz INVGMWCCHAATFF-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001733003299 1429124122 /nfs/dbraw/zinc/12/41/22/1429124122.db2.gz RARLGBJRIXLVPY-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733014548 1429133791 /nfs/dbraw/zinc/13/37/91/1429133791.db2.gz ANRVLEINWNGNPX-KRWDZBQOSA-N 2 0 343.515 3.347 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001733028288 1429147535 /nfs/dbraw/zinc/14/75/35/1429147535.db2.gz VSTWCVHBQGOBNF-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060269 1417176070 /nfs/dbraw/zinc/17/60/70/1417176070.db2.gz XPSWLOQVTHYQTR-ROUKRRSUSA-N 2 0 343.515 3.251 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001707062432 1417178067 /nfs/dbraw/zinc/17/80/67/1417178067.db2.gz NEMXOCRYJAMZLQ-HEVSSNLLSA-N 2 0 349.563 3.386 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001707063848 1417179344 /nfs/dbraw/zinc/17/93/44/1417179344.db2.gz CAMCQXKLKYOMOC-ZCNNSNEGSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001707088439 1417195079 /nfs/dbraw/zinc/19/50/79/1417195079.db2.gz YNKFLDRWHCDKTG-BJLQDIEVSA-N 2 0 349.563 3.458 10 0 EGAERP CC1(C)CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001707123324 1417210595 /nfs/dbraw/zinc/21/05/95/1417210595.db2.gz QUWKJFNBUZSVBQ-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707239808 1417260046 /nfs/dbraw/zinc/26/00/46/1417260046.db2.gz DAYVKBLINRMXSD-OALUTQOASA-N 2 0 339.568 3.370 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001707281503 1417291823 /nfs/dbraw/zinc/29/18/23/1417291823.db2.gz PLYHTXJXXDRGBN-QWNKOJSDSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1=CCCCC1 ZINC001707382688 1417303824 /nfs/dbraw/zinc/30/38/24/1417303824.db2.gz ZZFXLEBSEHOVAW-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001707399750 1417313851 /nfs/dbraw/zinc/31/38/51/1417313851.db2.gz SOTRDWSKLATXEY-SFHVURJKSA-N 2 0 345.531 3.369 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCC(C)(C)C ZINC001707451281 1417354934 /nfs/dbraw/zinc/35/49/34/1417354934.db2.gz FRPICWYRDJSOIP-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCCC1 ZINC001712976613 1417530530 /nfs/dbraw/zinc/53/05/30/1417530530.db2.gz GHDJKKHDYDFPSH-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)C/C=C/c1ccccc1 ZINC001712990956 1417541846 /nfs/dbraw/zinc/54/18/46/1417541846.db2.gz KQHPNQJQLNBIQP-BZZHFGAJSA-N 2 0 343.515 3.011 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713137123 1417720288 /nfs/dbraw/zinc/72/02/88/1417720288.db2.gz UZGFJQXUMXCRJY-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001713141799 1417723946 /nfs/dbraw/zinc/72/39/46/1417723946.db2.gz OEMXHSWXXOIBMA-RLLQIKCJSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001713169751 1417743372 /nfs/dbraw/zinc/74/33/72/1417743372.db2.gz LVIHQPWNAGAJJK-KZNAEPCWSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001713201004 1417771130 /nfs/dbraw/zinc/77/11/30/1417771130.db2.gz GGPDPQFBLPUCAK-OLMNPRSZSA-N 2 0 349.494 3.101 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713224625 1417812812 /nfs/dbraw/zinc/81/28/12/1417812812.db2.gz YUVVECXWCTYVBR-IRXDYDNUSA-N 2 0 349.494 3.055 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001713253576 1417847311 /nfs/dbraw/zinc/84/73/11/1417847311.db2.gz SSACHNUBMUKXOO-MSOLQXFVSA-N 2 0 349.544 3.093 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001713253953 1417849660 /nfs/dbraw/zinc/84/96/60/1417849660.db2.gz WNFGTANWUHEUDX-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1cccc(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C(C)C)c1 ZINC001713258917 1417864633 /nfs/dbraw/zinc/86/46/33/1417864633.db2.gz IKHUTKKKLSFVTM-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713275240 1417893463 /nfs/dbraw/zinc/89/34/63/1417893463.db2.gz GHRBACKNFZIAJF-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713275290 1417893597 /nfs/dbraw/zinc/89/35/97/1417893597.db2.gz GVTVQSFOLCZYDZ-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001713342274 1417964811 /nfs/dbraw/zinc/96/48/11/1417964811.db2.gz GDSDMEOCPSTERS-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1c(C(=O)NCC[C@@H](C)[NH2+]CCCC2CCC2)ccc2c[nH+]cn21 ZINC001713411812 1418035161 /nfs/dbraw/zinc/03/51/61/1418035161.db2.gz RWQVFMUIZBSJDX-OAHLLOKOSA-N 2 0 342.487 3.321 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C)c(C)c1C ZINC001713415396 1418039050 /nfs/dbraw/zinc/03/90/50/1418039050.db2.gz BOMCRNGIERHSDI-CQSZACIVSA-N 2 0 347.547 3.165 10 0 EGAERP CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733076185 1429230923 /nfs/dbraw/zinc/23/09/23/1429230923.db2.gz NWXPIVZHUCQSCQ-WMZOPIPTSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CCCCCC1 ZINC001713489645 1418187231 /nfs/dbraw/zinc/18/72/31/1418187231.db2.gz CGWDVOBCSMOKIK-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001713494348 1418197704 /nfs/dbraw/zinc/19/77/04/1418197704.db2.gz SDRWSRRCKKQOSX-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001713506698 1418229741 /nfs/dbraw/zinc/22/97/41/1418229741.db2.gz YLFYXGKCXVQAOZ-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713529526 1418277546 /nfs/dbraw/zinc/27/75/46/1418277546.db2.gz MJZFKODWXWUDPS-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713677867 1418430013 /nfs/dbraw/zinc/43/00/13/1418430013.db2.gz SBMUZYCTVDWARB-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001713684695 1418437641 /nfs/dbraw/zinc/43/76/41/1418437641.db2.gz OCCBCRDHMPSOQZ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001713742318 1418544189 /nfs/dbraw/zinc/54/41/89/1418544189.db2.gz VCZWJPNNKWGREO-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CCCCCC[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713764072 1418575856 /nfs/dbraw/zinc/57/58/56/1418575856.db2.gz PAMGJENYHIHUCR-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)C1 ZINC001713767558 1418582022 /nfs/dbraw/zinc/58/20/22/1418582022.db2.gz XHODLDFIXRHPEF-RJCMGOLDSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+](CC)CC ZINC001714042913 1418833478 /nfs/dbraw/zinc/83/34/78/1418833478.db2.gz JBCZTVJPCCCLHF-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001714080341 1418874293 /nfs/dbraw/zinc/87/42/93/1418874293.db2.gz UKKVJMLBLZFXCN-VQTJNVASSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714093989 1418887506 /nfs/dbraw/zinc/88/75/06/1418887506.db2.gz UNUMZQQPKMEKHV-LJQANCHMSA-N 2 0 343.515 3.156 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001714135009 1418937575 /nfs/dbraw/zinc/93/75/75/1418937575.db2.gz RQRUPXVOIAYLMY-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714142187 1418944281 /nfs/dbraw/zinc/94/42/81/1418944281.db2.gz QBWAYORFPKRIOI-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001714146589 1418951732 /nfs/dbraw/zinc/95/17/32/1418951732.db2.gz YQCFNJWAMIULSI-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001714155912 1418965911 /nfs/dbraw/zinc/96/59/11/1418965911.db2.gz LBUSRVGGHKWAPS-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001714194763 1419000462 /nfs/dbraw/zinc/00/04/62/1419000462.db2.gz OCKTZZRDQRFJMF-QHGAOEGBSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001714217053 1419014398 /nfs/dbraw/zinc/01/43/98/1419014398.db2.gz UFAMRQZEQGFLDT-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714264513 1419046945 /nfs/dbraw/zinc/04/69/45/1419046945.db2.gz PRQWGMKIOHBXOX-RRFGBZISSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001733201247 1429305462 /nfs/dbraw/zinc/30/54/62/1429305462.db2.gz PFHMBLGOEHOLTK-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001714282394 1419062385 /nfs/dbraw/zinc/06/23/85/1419062385.db2.gz PFFLBAFWDZAHPK-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714334939 1419113496 /nfs/dbraw/zinc/11/34/96/1419113496.db2.gz YTXGDYVQOPQNCW-PWBPZBFBSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1C)[NH+](CC)CC ZINC001714347436 1419117082 /nfs/dbraw/zinc/11/70/82/1419117082.db2.gz DWZBNIBHCCTSJD-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001714364583 1419124905 /nfs/dbraw/zinc/12/49/05/1419124905.db2.gz WRTREOPBIYWHEY-VQTJNVASSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714448344 1419181030 /nfs/dbraw/zinc/18/10/30/1419181030.db2.gz PTCKYWVIASVRAW-FQEVSTJZSA-N 2 0 345.531 3.331 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714454705 1419187362 /nfs/dbraw/zinc/18/73/62/1419187362.db2.gz QONCNOJNTXFDHP-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001714648590 1419424930 /nfs/dbraw/zinc/42/49/30/1419424930.db2.gz TURAHMDZNDMQND-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@@H](C)c2ccccc2)C2CC2)CC[N@@H+]1C ZINC001714668846 1419457912 /nfs/dbraw/zinc/45/79/12/1419457912.db2.gz UQKQLEXHQYGCBW-FFZOFVMBSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001714814077 1419524897 /nfs/dbraw/zinc/52/48/97/1419524897.db2.gz UBGICGYEPNEBNU-MJGOQNOKSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)CC1CCCCC1 ZINC001714825717 1419535661 /nfs/dbraw/zinc/53/56/61/1419535661.db2.gz XOHOAFLXPJAOMQ-QZTJIDSGSA-N 2 0 346.519 3.310 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714865720 1419591964 /nfs/dbraw/zinc/59/19/64/1419591964.db2.gz QIMLISYRLNWZJT-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714872051 1419602705 /nfs/dbraw/zinc/60/27/05/1419602705.db2.gz LHYDDOXRPSCYBX-GOSISDBHSA-N 2 0 337.552 3.243 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714917154 1419668663 /nfs/dbraw/zinc/66/86/63/1419668663.db2.gz TVHNREVCOVSPHG-XOUUWWQPSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714920313 1419672290 /nfs/dbraw/zinc/67/22/90/1419672290.db2.gz BYRIYOQTGIHEFF-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001714982167 1419717033 /nfs/dbraw/zinc/71/70/33/1419717033.db2.gz NWMSUJDIPSHDGN-FQEVSTJZSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001714982759 1419717151 /nfs/dbraw/zinc/71/71/51/1419717151.db2.gz UNYYHAYOMDQGAS-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715028243 1419760298 /nfs/dbraw/zinc/76/02/98/1419760298.db2.gz CELINIFZUVISJK-COJDAZNPSA-N 2 0 349.563 3.386 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001715030861 1419763970 /nfs/dbraw/zinc/76/39/70/1419763970.db2.gz JEACYGSYZYONHS-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C/C=C\c2ccccc2)CCCC1 ZINC001715101130 1419841977 /nfs/dbraw/zinc/84/19/77/1419841977.db2.gz AUXYXZMCTFSKIO-XFXZXTDPSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001715108577 1419850768 /nfs/dbraw/zinc/85/07/68/1419850768.db2.gz HMHFOVXIYOIEPF-WRWLIDTKSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+][C@H](C)c1cccc(F)c1)C1CC1 ZINC001715129569 1419878397 /nfs/dbraw/zinc/87/83/97/1419878397.db2.gz ZPKIYEUKDKGRFQ-FOIQADDNSA-N 2 0 349.494 3.101 10 0 EGAERP CC(C)CCC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001715149783 1419894575 /nfs/dbraw/zinc/89/45/75/1419894575.db2.gz WPAQUIBEWKRWQJ-WIYYLYMNSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238348 1429380011 /nfs/dbraw/zinc/38/00/11/1429380011.db2.gz SZAPKKNXOWRNPR-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001715157645 1419899921 /nfs/dbraw/zinc/89/99/21/1419899921.db2.gz ZANRHCVYFPSBNY-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001715198691 1419930418 /nfs/dbraw/zinc/93/04/18/1419930418.db2.gz ZJQZRWOLFPDGFK-FQEVSTJZSA-N 2 0 349.494 3.015 10 0 EGAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001715252891 1419976993 /nfs/dbraw/zinc/97/69/93/1419976993.db2.gz NZLVNJQSZMOTGT-MRXNPFEDSA-N 2 0 335.492 3.116 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001715303779 1420012120 /nfs/dbraw/zinc/01/21/20/1420012120.db2.gz SJYMMPVMNQVMAN-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001715305881 1420015168 /nfs/dbraw/zinc/01/51/68/1420015168.db2.gz GNQLXDNFKMCXSG-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715326321 1420033380 /nfs/dbraw/zinc/03/33/80/1420033380.db2.gz INUXJKYNKSHNFB-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001715388849 1420085914 /nfs/dbraw/zinc/08/59/14/1420085914.db2.gz IBXZIRNKWSXLNO-AZUAARDMSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715396326 1420093948 /nfs/dbraw/zinc/09/39/48/1420093948.db2.gz WNUPOAVCKOGUQN-LZDOZHLXSA-N 2 0 343.943 3.124 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCCC1 ZINC001715404426 1420102933 /nfs/dbraw/zinc/10/29/33/1420102933.db2.gz KNLLOYUMQTUIAP-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715458806 1420139557 /nfs/dbraw/zinc/13/95/57/1420139557.db2.gz CZYYVRSNBLTCLP-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC[N@H+](C)CCC(C)(C)C)CC1)[NH+](C)C ZINC001715484877 1420165321 /nfs/dbraw/zinc/16/53/21/1420165321.db2.gz MOSLOYWFSTZCEO-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC001715495429 1420176715 /nfs/dbraw/zinc/17/67/15/1420176715.db2.gz YVXYSUFKWQKKRH-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C(C)(C)C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001715959761 1420426367 /nfs/dbraw/zinc/42/63/67/1420426367.db2.gz CHFKSIDWGYGROZ-WWDZGPRUSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001716024460 1420480674 /nfs/dbraw/zinc/48/06/74/1420480674.db2.gz NAYQRSONOOWSTA-CTWPCTMYSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042614 1420505696 /nfs/dbraw/zinc/50/56/96/1420505696.db2.gz RANVQFDAXLHDLM-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC2CCC2)C1 ZINC001716049509 1420513674 /nfs/dbraw/zinc/51/36/74/1420513674.db2.gz BSRHLSKXCZWUTI-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCC2([NH2+]CC3=CCCCC3)CC2)c1 ZINC001733265331 1429423114 /nfs/dbraw/zinc/42/31/14/1429423114.db2.gz SUBDPAFPVBGCNO-UHFFFAOYSA-N 2 0 341.499 3.101 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716436722 1420657740 /nfs/dbraw/zinc/65/77/40/1420657740.db2.gz HOCTURIONDNWCR-PXNSSMCTSA-N 2 0 345.531 3.277 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001716455160 1420670126 /nfs/dbraw/zinc/67/01/26/1420670126.db2.gz QPIFDYDNRZIXJS-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001716465807 1420678805 /nfs/dbraw/zinc/67/88/05/1420678805.db2.gz KWLDUGHUWNESKM-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001716488377 1420708355 /nfs/dbraw/zinc/70/83/55/1420708355.db2.gz LJSQFBSQTZNGBF-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716489819 1420710550 /nfs/dbraw/zinc/71/05/50/1420710550.db2.gz QKAUFLQPSUODEZ-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716494782 1420717793 /nfs/dbraw/zinc/71/77/93/1420717793.db2.gz BCQMXEYAMKSTQA-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C[N@H+](C)[C@H]1CCCc2ccccc21)NC(=O)CCCC[NH+](C)C ZINC001716500563 1420727021 /nfs/dbraw/zinc/72/70/21/1420727021.db2.gz FMYKEGVADQMQCG-PXNSSMCTSA-N 2 0 345.531 3.232 10 0 EGAERP Cc1ncsc1C[NH2+]CCCN(C)C(=O)c1c(C)cc(C)nc1C ZINC001716556664 1420759682 /nfs/dbraw/zinc/75/96/82/1420759682.db2.gz MSXKMHBAPOEKAB-UHFFFAOYSA-N 2 0 346.500 3.024 10 0 EGAERP CCc1ccc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001716559853 1420760735 /nfs/dbraw/zinc/76/07/35/1420760735.db2.gz XQKBDCBXPYRTGJ-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658710 1420812904 /nfs/dbraw/zinc/81/29/04/1420812904.db2.gz LMTFGSPPVBKTHD-OALUTQOASA-N 2 0 343.515 3.203 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001733273736 1429436706 /nfs/dbraw/zinc/43/67/06/1429436706.db2.gz XBFLEUNKRQDWSF-ILENRSAMSA-N 2 0 347.547 3.138 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001716682004 1420836390 /nfs/dbraw/zinc/83/63/90/1420836390.db2.gz ARBWUBAGMRUIHT-OAJJDEHYSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1)c1ccccc1F ZINC001716700793 1420853682 /nfs/dbraw/zinc/85/36/82/1420853682.db2.gz PFJFZCZXXYTLCT-MRXNPFEDSA-N 2 0 347.478 3.001 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001716707645 1420861713 /nfs/dbraw/zinc/86/17/13/1420861713.db2.gz YCDVPSUWKBETQL-AYHJJNSGSA-N 2 0 335.536 3.019 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001716711643 1420864305 /nfs/dbraw/zinc/86/43/05/1420864305.db2.gz CMFJNNYIVXCPGL-UHDDOPSISA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001716712343 1420865131 /nfs/dbraw/zinc/86/51/31/1420865131.db2.gz HJNRQELWDDLQDJ-ZCNNSNEGSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001716763521 1420910197 /nfs/dbraw/zinc/91/01/97/1420910197.db2.gz FQZOZPGEZWHXOW-RDJZCZTQSA-N 2 0 340.471 3.192 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001716767755 1420912905 /nfs/dbraw/zinc/91/29/05/1420912905.db2.gz PMYOPNVDOJTNSM-KJYWSYJISA-N 2 0 349.563 3.434 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CCC1=CCCCC1)C1CCCC1 ZINC001716825011 1420951149 /nfs/dbraw/zinc/95/11/49/1420951149.db2.gz PAJHIQZJRUEHTK-HXUWFJFHSA-N 2 0 347.547 3.237 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001716847872 1420976150 /nfs/dbraw/zinc/97/61/50/1420976150.db2.gz SPYZJGSWFVWPIM-OAQYLSRUSA-N 2 0 345.531 3.232 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716851792 1420982693 /nfs/dbraw/zinc/98/26/93/1420982693.db2.gz RVMORVBVPJPLKQ-PXDRNWIDSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001716872233 1420999588 /nfs/dbraw/zinc/99/95/88/1420999588.db2.gz BWFBVQDKAPEPTQ-FQEVSTJZSA-N 2 0 335.536 3.047 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001716893752 1421020092 /nfs/dbraw/zinc/02/00/92/1421020092.db2.gz BNLSOSNCAYXAOD-UYAOXDASSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CCC2)C1 ZINC001716900780 1421031675 /nfs/dbraw/zinc/03/16/75/1421031675.db2.gz UUBYNPAZMGSVPC-FPOVZHCZSA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001716952637 1421048539 /nfs/dbraw/zinc/04/85/39/1421048539.db2.gz JFRKOULYFLUAAK-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)CCC1 ZINC001717120788 1421124667 /nfs/dbraw/zinc/12/46/67/1421124667.db2.gz JPABAPHMQDKOND-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717126161 1421128150 /nfs/dbraw/zinc/12/81/50/1421128150.db2.gz YBPOGONULXYURP-SAABIXHNSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001717130136 1421131110 /nfs/dbraw/zinc/13/11/10/1421131110.db2.gz LKRLUHFYSHFKJQ-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001717201811 1421169607 /nfs/dbraw/zinc/16/96/07/1421169607.db2.gz HYFDENNEEJTSMS-GOSISDBHSA-N 2 0 349.544 3.095 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2)[NH+](CC)CC ZINC001733288207 1429464962 /nfs/dbraw/zinc/46/49/62/1429464962.db2.gz JMYPQENKJMMROD-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001717299087 1421242203 /nfs/dbraw/zinc/24/22/03/1421242203.db2.gz HRWJWKJBVXYMEP-OAHLLOKOSA-N 2 0 342.487 3.273 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)C1 ZINC001717303493 1421245171 /nfs/dbraw/zinc/24/51/71/1421245171.db2.gz QRLZZQIUXZNAFJ-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001717304364 1421245961 /nfs/dbraw/zinc/24/59/61/1421245961.db2.gz COROAGZLODQVLS-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)CCC1 ZINC001717309095 1421251324 /nfs/dbraw/zinc/25/13/24/1421251324.db2.gz FCKUFZPPEWGXHK-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC1(C)C)C1CCC1 ZINC001717309119 1421251355 /nfs/dbraw/zinc/25/13/55/1421251355.db2.gz FNNXBMQWSARGFB-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001717309079 1421251542 /nfs/dbraw/zinc/25/15/42/1421251542.db2.gz DWRLLVMERFRQPD-POMXJBLMSA-N 2 0 349.563 3.290 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001717309469 1421251946 /nfs/dbraw/zinc/25/19/46/1421251946.db2.gz NGSLHXBRKWLPOX-UCFODXPJSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001717310096 1421252487 /nfs/dbraw/zinc/25/24/87/1421252487.db2.gz AFRKPTZFSJCTLN-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001717339099 1421276613 /nfs/dbraw/zinc/27/66/13/1421276613.db2.gz LSNWWOOPFUAWOL-SJLPKXTDSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717375465 1421316508 /nfs/dbraw/zinc/31/65/08/1421316508.db2.gz YIJLHLJHLIJCRG-RTBURBONSA-N 2 0 335.536 3.140 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)CC(C)C)c1ccccc1 ZINC001717375657 1421317363 /nfs/dbraw/zinc/31/73/63/1421317363.db2.gz ZZVWKSSSSXRUTO-WOJBJXKFSA-N 2 0 345.531 3.258 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001717379548 1421323806 /nfs/dbraw/zinc/32/38/06/1421323806.db2.gz XBYUINNABIPSNE-PMACEKPBSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001717409095 1421341958 /nfs/dbraw/zinc/34/19/58/1421341958.db2.gz MQYWCAXQVNHUIB-CABCVRRESA-N 2 0 345.512 3.106 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001733292703 1429472010 /nfs/dbraw/zinc/47/20/10/1429472010.db2.gz LSZXWDOFTNCEPE-FPLPWBNLSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717453129 1421383117 /nfs/dbraw/zinc/38/31/17/1421383117.db2.gz DGSWGDNMFXLTGE-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717458492 1421387987 /nfs/dbraw/zinc/38/79/87/1421387987.db2.gz UWTANSMOBCSBML-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCC1=CCCCC1 ZINC001717483728 1421419247 /nfs/dbraw/zinc/41/92/47/1421419247.db2.gz NPRJJEQDPMMEJE-QGZVFWFLSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CCC1CCCC1 ZINC001717491164 1421430382 /nfs/dbraw/zinc/43/03/82/1421430382.db2.gz VJSYZCVYUSCJTN-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001717527719 1421463463 /nfs/dbraw/zinc/46/34/63/1421463463.db2.gz YVCIMOWWDTUBDY-WLMAVBAVSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001717622534 1421531554 /nfs/dbraw/zinc/53/15/54/1421531554.db2.gz HWZHTBCOYFYSPG-GBESFXJTSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001717650903 1421550659 /nfs/dbraw/zinc/55/06/59/1421550659.db2.gz IYZFRTWIEWSRHZ-BRSBDYLESA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668047 1421558303 /nfs/dbraw/zinc/55/83/03/1421558303.db2.gz RZBYASZCYLXEDA-MJGOQNOKSA-N 2 0 335.536 3.234 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001717705718 1421581016 /nfs/dbraw/zinc/58/10/16/1421581016.db2.gz RWVIQTJHGXVANC-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001717739327 1421602891 /nfs/dbraw/zinc/60/28/91/1421602891.db2.gz WFGNLWCRCRNIFB-AOIWGVFYSA-N 2 0 349.563 3.124 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717740891 1421604193 /nfs/dbraw/zinc/60/41/93/1421604193.db2.gz IFZWAVUQZFATJY-BEFAXECRSA-N 2 0 343.531 3.072 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001717743044 1421606424 /nfs/dbraw/zinc/60/64/24/1421606424.db2.gz WQGHTNVGIIMSMT-SJORKVTESA-N 2 0 333.520 3.259 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCC1 ZINC001717744723 1421607897 /nfs/dbraw/zinc/60/78/97/1421607897.db2.gz HKQBHRVBXVGBFZ-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895002 1421692803 /nfs/dbraw/zinc/69/28/03/1421692803.db2.gz BTGRXWINKGSUDF-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001717984591 1421757125 /nfs/dbraw/zinc/75/71/25/1421757125.db2.gz FAONZVHAYJGQFQ-VOFKWLDRSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001717985063 1421757626 /nfs/dbraw/zinc/75/76/26/1421757626.db2.gz WQDRFMFFDQCILM-LPHOPBHVSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001717985387 1421757896 /nfs/dbraw/zinc/75/78/96/1421757896.db2.gz IERAMFHSDXMWGI-GGVAOPBYSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001718003999 1421770604 /nfs/dbraw/zinc/77/06/04/1421770604.db2.gz YZIBPVDEVALIMA-QGZVFWFLSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001733351944 1429532780 /nfs/dbraw/zinc/53/27/80/1429532780.db2.gz QBAPNCREQPWKTD-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001733393312 1429585404 /nfs/dbraw/zinc/58/54/04/1429585404.db2.gz RYYMUWGLSLCPTL-NRFANRHFSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733439395 1429646771 /nfs/dbraw/zinc/64/67/71/1429646771.db2.gz IAZNPOKTVHRXPD-OAQYLSRUSA-N 2 0 345.531 3.380 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001733453602 1429667660 /nfs/dbraw/zinc/66/76/60/1429667660.db2.gz NKBUKSTXOTWEPE-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001733469603 1429703799 /nfs/dbraw/zinc/70/37/99/1429703799.db2.gz XTJQNHMRYAAWPQ-UYAOXDASSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001723044529 1424292439 /nfs/dbraw/zinc/29/24/39/1424292439.db2.gz ZEESOKWCQKTPCM-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001723313004 1424346444 /nfs/dbraw/zinc/34/64/44/1424346444.db2.gz VVLKJGFCMRXWRZ-VQTJNVASSA-N 2 0 347.547 3.092 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([N@H+](CCC(C)(C)C)CC2CC2)CC1 ZINC001723649773 1424515508 /nfs/dbraw/zinc/51/55/08/1424515508.db2.gz WVIBHBKFYSBPLK-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001723665428 1424521608 /nfs/dbraw/zinc/52/16/08/1424521608.db2.gz OBRBPSKOJJPOIG-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001723872774 1424593397 /nfs/dbraw/zinc/59/33/97/1424593397.db2.gz GJABZLBNBKEBCG-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001723956986 1424610905 /nfs/dbraw/zinc/61/09/05/1424610905.db2.gz BENNRQZSWFUOBW-IBGZPJMESA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724093320 1424656783 /nfs/dbraw/zinc/65/67/83/1424656783.db2.gz ATYCJKMUBFURTD-YLJYHZDGSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001733540226 1429746121 /nfs/dbraw/zinc/74/61/21/1429746121.db2.gz QDHCJQLHDJVNBL-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001733541327 1429747233 /nfs/dbraw/zinc/74/72/33/1429747233.db2.gz YBZUWQVIFKCFIT-PXNSSMCTSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001724322554 1424808611 /nfs/dbraw/zinc/80/86/11/1424808611.db2.gz QJGZMSKBIUFWEN-QFUCXCTJSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001724323342 1424809310 /nfs/dbraw/zinc/80/93/10/1424809310.db2.gz KKTJPEUPWKWMSS-HXUWFJFHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001724500963 1424877484 /nfs/dbraw/zinc/87/74/84/1424877484.db2.gz JJZHFICTEKNEHA-SCTDSRPQSA-N 2 0 347.547 3.019 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001724696149 1425055760 /nfs/dbraw/zinc/05/57/60/1425055760.db2.gz HBBZQTIONORHJN-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001724719297 1425072297 /nfs/dbraw/zinc/07/22/97/1425072297.db2.gz ZUTGXGNVVYFMRM-AZUAARDMSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]CCCC3CCC3)C2)CC1 ZINC001724725162 1425077346 /nfs/dbraw/zinc/07/73/46/1425077346.db2.gz GSDDLHFVAGAYGY-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001724754863 1425125764 /nfs/dbraw/zinc/12/57/64/1425125764.db2.gz PSMAAVLSZGCISN-WGSAOQKQSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001724890966 1425277918 /nfs/dbraw/zinc/27/79/18/1425277918.db2.gz IMXVEQNINFBDNZ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001724966066 1425358221 /nfs/dbraw/zinc/35/82/21/1425358221.db2.gz LKQWZICGMQDXCV-MJRGOJFPSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C)[NH+]1CCCCC1 ZINC001724979631 1425381630 /nfs/dbraw/zinc/38/16/30/1425381630.db2.gz NLMKKQLGWNVNTG-MSOLQXFVSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)[C@H](C)C1 ZINC001724997290 1425403423 /nfs/dbraw/zinc/40/34/23/1425403423.db2.gz AREZECCUTVHCQL-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001725041846 1425468100 /nfs/dbraw/zinc/46/81/00/1425468100.db2.gz MVNZNHNTQFSDGZ-MOPGFXCFSA-N 2 0 337.552 3.362 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001725056739 1425495262 /nfs/dbraw/zinc/49/52/62/1425495262.db2.gz VCWPKRMDMIMZJW-ZBWOGFRMSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001725066429 1425507782 /nfs/dbraw/zinc/50/77/82/1425507782.db2.gz WHTAKWISWSWPSW-MHJFOBGBSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCC1)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001725116042 1425574812 /nfs/dbraw/zinc/57/48/12/1425574812.db2.gz UCIGKERPZKYLBV-SJORKVTESA-N 2 0 345.531 3.425 10 0 EGAERP C[C@@H](C(=O)NC1(C[NH2+]CCCF)CCCCC1)[NH+]1CCCCCC1 ZINC001725229138 1425800638 /nfs/dbraw/zinc/80/06/38/1425800638.db2.gz MKYWMWRUVKILFX-KRWDZBQOSA-N 2 0 341.515 3.019 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccsc1)C1CCC1 ZINC001725236402 1425822328 /nfs/dbraw/zinc/82/23/28/1425822328.db2.gz JJTVSXJGKGTKAH-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001725243398 1425856339 /nfs/dbraw/zinc/85/63/39/1425856339.db2.gz TXQIRILUYFUIJZ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725333012 1425976632 /nfs/dbraw/zinc/97/66/32/1425976632.db2.gz HLJOEBBAHNXABV-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001725422221 1426072874 /nfs/dbraw/zinc/07/28/74/1426072874.db2.gz RBPCAXWBQPAZKN-MITRTKIPSA-N 2 0 349.563 3.386 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001725456205 1426122827 /nfs/dbraw/zinc/12/28/27/1426122827.db2.gz OHGMUYXLJGRCLN-VQTJNVASSA-N 2 0 347.547 3.020 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@H](C[NH2+]CCC1CC1)C1CC1 ZINC001725456206 1426123047 /nfs/dbraw/zinc/12/30/47/1426123047.db2.gz OHGMUYXLJGRCLN-WOJBJXKFSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001725491251 1426168412 /nfs/dbraw/zinc/16/84/12/1426168412.db2.gz UFUQOFHUNQLIJY-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001725621754 1426285932 /nfs/dbraw/zinc/28/59/32/1426285932.db2.gz HMVNJYSMBRKZBB-WMZOPIPTSA-N 2 0 347.547 3.020 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001725624350 1426290636 /nfs/dbraw/zinc/29/06/36/1426290636.db2.gz INLFJMFIVMDLCR-ICSRJNTNSA-N 2 0 335.536 3.166 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001725628072 1426294906 /nfs/dbraw/zinc/29/49/06/1426294906.db2.gz LNWXEHLSBXDZLW-PZJWPPBQSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001725668044 1426351683 /nfs/dbraw/zinc/35/16/83/1426351683.db2.gz ZOOBOAWPSNNGFH-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCCC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725751786 1426430420 /nfs/dbraw/zinc/43/04/20/1426430420.db2.gz JNNOSHNHMVYRDY-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001725754848 1426434092 /nfs/dbraw/zinc/43/40/92/1426434092.db2.gz KESNQMMISMDCFA-KRWDZBQOSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001725763382 1426445094 /nfs/dbraw/zinc/44/50/94/1426445094.db2.gz TYRDJQCNBFPTHW-YHTLKTDXSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001725766530 1426449046 /nfs/dbraw/zinc/44/90/46/1426449046.db2.gz JNEOGIPHHKYEKU-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001725797360 1426482503 /nfs/dbraw/zinc/48/25/03/1426482503.db2.gz MOUFFVWQSXVKPK-SNAWJCMRSA-N 2 0 347.547 3.189 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCCC(C)(C)C ZINC001731247292 1427201563 /nfs/dbraw/zinc/20/15/63/1427201563.db2.gz CAPALAWNEVJUHB-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@H](C)c2ccccc2)CC1 ZINC001731275796 1427220373 /nfs/dbraw/zinc/22/03/73/1427220373.db2.gz WTOCPOINABXTJO-GOSISDBHSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](CC1CCCCC1)C1CC1 ZINC001731345980 1427284225 /nfs/dbraw/zinc/28/42/25/1427284225.db2.gz KBZRTIZLLBEQNR-ROUUACIJSA-N 2 0 349.563 3.410 10 0 EGAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC(C)C)CC1 ZINC001731385959 1427331817 /nfs/dbraw/zinc/33/18/17/1427331817.db2.gz MPUVXSIPTXBTFH-HXUWFJFHSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391596 1427344491 /nfs/dbraw/zinc/34/44/91/1427344491.db2.gz HMQSNAVDHQPFHE-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731427673 1427409140 /nfs/dbraw/zinc/40/91/40/1427409140.db2.gz VPJRFRYFDKJXTR-UEIMZRGPSA-N 2 0 347.547 3.138 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555030 1427580374 /nfs/dbraw/zinc/58/03/74/1427580374.db2.gz QFCZAXGENDZBLT-IEBWSBKVSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001731559725 1427593037 /nfs/dbraw/zinc/59/30/37/1427593037.db2.gz RGWSKXFFVBNMCR-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001731569259 1427609436 /nfs/dbraw/zinc/60/94/36/1427609436.db2.gz WJOGIUREEMMJJT-ABHNRTSZSA-N 2 0 349.544 3.140 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688284 1427736249 /nfs/dbraw/zinc/73/62/49/1427736249.db2.gz XNXZOPZMRUNSNJ-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731702064 1427754665 /nfs/dbraw/zinc/75/46/65/1427754665.db2.gz KCZDOOYTUUWTBB-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001731716901 1427781658 /nfs/dbraw/zinc/78/16/58/1427781658.db2.gz XGDDDEJHBRSHRD-RTBURBONSA-N 2 0 337.552 3.364 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CCC2=CCCCC2)C1 ZINC001731792443 1427936904 /nfs/dbraw/zinc/93/69/04/1427936904.db2.gz YUTIDZICEHSFQW-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCNC(=O)CCc1c[nH]cn1)[C@H](C)c1cc(C)ccc1C ZINC001731804178 1427972730 /nfs/dbraw/zinc/97/27/30/1427972730.db2.gz FNZNHJCJKRUUCG-QGZVFWFLSA-N 2 0 342.487 3.158 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)c1cccc(F)c1 ZINC001731808786 1427985005 /nfs/dbraw/zinc/98/50/05/1427985005.db2.gz NLIKEKROXZHLGK-MRXNPFEDSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001731842346 1428065707 /nfs/dbraw/zinc/06/57/07/1428065707.db2.gz PDDMFJAGFLSHKN-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001731854097 1428085927 /nfs/dbraw/zinc/08/59/27/1428085927.db2.gz CBJYOMNRNOAJAS-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001731972968 1428189744 /nfs/dbraw/zinc/18/97/44/1428189744.db2.gz IVKHBLPLWANMPT-FQEVSTJZSA-N 2 0 343.515 3.228 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733596950 1429795905 /nfs/dbraw/zinc/79/59/05/1429795905.db2.gz DJRZSSYODSHWTC-XUVXKRRUSA-N 2 0 349.563 3.361 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCC3)C2)CC1 ZINC001733663671 1429856600 /nfs/dbraw/zinc/85/66/00/1429856600.db2.gz HINWXQRABRXNEO-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001733682762 1429896794 /nfs/dbraw/zinc/89/67/94/1429896794.db2.gz VTGJDWDXMAEWJH-QGZVFWFLSA-N 2 0 343.515 3.404 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCC2)C1 ZINC001733725506 1429950704 /nfs/dbraw/zinc/95/07/04/1429950704.db2.gz APNQBCRGYSRPBO-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733765441 1429985998 /nfs/dbraw/zinc/98/59/98/1429985998.db2.gz WISOVZLPEFXNRM-HMECNJMJSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001733772939 1430007948 /nfs/dbraw/zinc/00/79/48/1430007948.db2.gz NWORQPVOGZYPTR-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733782792 1430050720 /nfs/dbraw/zinc/05/07/20/1430050720.db2.gz PHGSANKBVDWJIH-UXHICEINSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001733803772 1430072095 /nfs/dbraw/zinc/07/20/95/1430072095.db2.gz LGRYCHJLNGTTJA-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001733814662 1430095190 /nfs/dbraw/zinc/09/51/90/1430095190.db2.gz VEUUEYDSFPAHOZ-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]CCC(C)C)C2)o1 ZINC001733862156 1437691362 /nfs/dbraw/zinc/69/13/62/1437691362.db2.gz WAXQZNLUWDICKW-FUHWJXTLSA-N 2 0 349.519 3.218 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](CC1CC(C)C1)CC2 ZINC001733910942 1437729089 /nfs/dbraw/zinc/72/90/89/1437729089.db2.gz FDWALAZLHHIINS-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001734019302 1437808650 /nfs/dbraw/zinc/80/86/50/1437808650.db2.gz BWOWXSHCDFHTRE-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001734021461 1437810151 /nfs/dbraw/zinc/81/01/51/1437810151.db2.gz JVCNYZRHVWGKQR-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734118062 1437899693 /nfs/dbraw/zinc/89/96/93/1437899693.db2.gz AWMVZXFNAIITGJ-DKFQHHCZSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001734146190 1437914504 /nfs/dbraw/zinc/91/45/04/1437914504.db2.gz OUQYZRKYBHXZSF-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001734146188 1437914659 /nfs/dbraw/zinc/91/46/59/1437914659.db2.gz OUQYZRKYBHXZSF-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001734150396 1437918122 /nfs/dbraw/zinc/91/81/22/1437918122.db2.gz QKRNSXWLFYMEAV-HKUYNNGSSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001734155949 1437922530 /nfs/dbraw/zinc/92/25/30/1437922530.db2.gz ZSYDHYRTCZSCQK-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262028 1437979303 /nfs/dbraw/zinc/97/93/03/1437979303.db2.gz HQUCFFFVSHHCHP-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001734269696 1437995918 /nfs/dbraw/zinc/99/59/18/1437995918.db2.gz YKDCKOBQWZQWAS-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001734273590 1438006183 /nfs/dbraw/zinc/00/61/83/1438006183.db2.gz WEDAJANRUBEHJF-UHFFFAOYSA-N 2 0 337.552 3.366 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccccc1 ZINC001734285702 1438013828 /nfs/dbraw/zinc/01/38/28/1438013828.db2.gz AENIRLXTDFIBHW-UXHICEINSA-N 2 0 345.531 3.180 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1ccccc1 ZINC001734285787 1438013978 /nfs/dbraw/zinc/01/39/78/1438013978.db2.gz FIVYQOIKOCNYPW-IEBWSBKVSA-N 2 0 345.531 3.352 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001734299575 1438030505 /nfs/dbraw/zinc/03/05/05/1438030505.db2.gz CDTHKPZYPXBJHR-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001734338552 1438059854 /nfs/dbraw/zinc/05/98/54/1438059854.db2.gz FJDFSGMIEGEXSA-ZWKOTPCHSA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C1CC[NH+](C)CC1 ZINC001734551045 1438148673 /nfs/dbraw/zinc/14/86/73/1438148673.db2.gz OEYYNSUPUUXZQE-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001734577518 1438169991 /nfs/dbraw/zinc/16/99/91/1438169991.db2.gz DBFVVJLOQULPOS-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001734579408 1438171902 /nfs/dbraw/zinc/17/19/02/1438171902.db2.gz UNSAIXVOMFIDKI-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1)[NH+]1CCCCCC1 ZINC001734607189 1438186425 /nfs/dbraw/zinc/18/64/25/1438186425.db2.gz JKCBEOPMLZWFOX-QGZVFWFLSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000368450776 168357692 /nfs/dbraw/zinc/35/76/92/168357692.db2.gz LZUNKBKJIHKHRP-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000368575879 168376023 /nfs/dbraw/zinc/37/60/23/168376023.db2.gz PBENTIOYUNJYRK-YYWHXJBOSA-N 2 0 330.516 3.223 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCCc2ccccc2)CC1 ZINC000187005826 530053071 /nfs/dbraw/zinc/05/30/71/530053071.db2.gz YDENXESOMLKELW-NRFANRHFSA-N 2 0 329.532 3.111 10 0 EGAERP C[N@H+](CC1CC[NH2+]CC1)[C@H](c1ccc(Cl)cc1)c1cnccn1 ZINC000261652887 282393463 /nfs/dbraw/zinc/39/34/63/282393463.db2.gz GMVLMPFKNRGENF-GOSISDBHSA-N 2 0 330.863 3.151 10 0 EGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193255959 240080250 /nfs/dbraw/zinc/08/02/50/240080250.db2.gz RABHGIFARLOELT-LJQANCHMSA-N 2 0 325.456 3.224 10 0 EGAERP C[NH+]1CCN(C[C@@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc2)CC1 ZINC000071794524 203114214 /nfs/dbraw/zinc/11/42/14/203114214.db2.gz UHTRRURQBVGVHT-HXUWFJFHSA-N 2 0 343.902 3.418 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccccc1F ZINC000130314936 205234205 /nfs/dbraw/zinc/23/42/05/205234205.db2.gz BYQGRXCCDXSSPL-NDXORKPFSA-N 2 0 342.458 3.359 10 0 EGAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@H]3C)cnc2n1 ZINC000377405206 169020977 /nfs/dbraw/zinc/02/09/77/169020977.db2.gz UOLVCRIDCZWKPY-FXAWDEMLSA-N 2 0 349.482 3.099 10 0 EGAERP c1cn(Cc2ccccc2)c(C[NH2+]CCCCC[NH+]2CCCC2)n1 ZINC000339499534 141123155 /nfs/dbraw/zinc/12/31/55/141123155.db2.gz OVTWAGZRICMPRQ-UHFFFAOYSA-N 2 0 326.488 3.287 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](C2CCCCC2)CC1 ZINC000346189822 141176569 /nfs/dbraw/zinc/17/65/69/141176569.db2.gz ZPUOZONBPZDVSD-UHFFFAOYSA-N 2 0 339.487 3.026 10 0 EGAERP Cc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)o1 ZINC000115624365 152022824 /nfs/dbraw/zinc/02/28/24/152022824.db2.gz WHTUKGIEYOERMO-UHFFFAOYSA-N 2 0 342.418 3.469 10 0 EGAERP CN1CC[NH+]([C@H]2CCCCN(Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000189721139 153093099 /nfs/dbraw/zinc/09/30/99/153093099.db2.gz MHKBNIOQAQXKSM-INIZCTEOSA-N 2 0 339.886 3.081 10 0 EGAERP Cc1ccccc1C1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CCOCC1 ZINC000192727858 153256852 /nfs/dbraw/zinc/25/68/52/153256852.db2.gz AATZIEIKTUCIGX-YQQQUEKLSA-N 2 0 328.500 3.258 10 0 EGAERP O[C@H](Cc1cccc(Cl)c1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000346832765 156157312 /nfs/dbraw/zinc/15/73/12/156157312.db2.gz VYUXWGKWYBJSKH-LJQANCHMSA-N 2 0 336.907 3.051 10 0 EGAERP CC(C)c1nc2c([nH]1)C[C@@H](C(=O)NC1CC[NH+](C(C)(C)C)CC1)CC2 ZINC000372404237 157319614 /nfs/dbraw/zinc/31/96/14/157319614.db2.gz KLFMMMMWELTHNT-AWEZNQCLSA-N 2 0 346.519 3.017 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)[C@@H](C)C1 ZINC000248827682 163036306 /nfs/dbraw/zinc/03/63/06/163036306.db2.gz HLQOWVXCQAQNJJ-PXNSSMCTSA-N 2 0 326.488 3.343 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCSCC)CC1 ZINC000337253909 163181386 /nfs/dbraw/zinc/18/13/86/163181386.db2.gz LYWIQIJMJFFJDB-UHFFFAOYSA-N 2 0 335.561 3.451 10 0 EGAERP COc1ccc(C2([NH2+]Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)cc1 ZINC000344072404 164097019 /nfs/dbraw/zinc/09/70/19/164097019.db2.gz OIKQABJHYNPXJJ-UHFFFAOYSA-N 2 0 334.423 3.363 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000344222423 164130089 /nfs/dbraw/zinc/13/00/89/164130089.db2.gz YPDTYPVBYVLHRY-UHFFFAOYSA-N 2 0 330.501 3.417 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](CCc1nccs1)C(C)C ZINC000346176758 164357494 /nfs/dbraw/zinc/35/74/94/164357494.db2.gz RLYVIDLFCNUDPI-UHFFFAOYSA-N 2 0 341.484 3.485 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@H](C)c1nccs1 ZINC000346277056 164363436 /nfs/dbraw/zinc/36/34/36/164363436.db2.gz REDURTUAWKRABU-ZDUSSCGKSA-N 2 0 327.457 3.268 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C[C@@H](C)c1nccs1 ZINC000346277045 164363592 /nfs/dbraw/zinc/36/35/92/164363592.db2.gz REDURTUAWKRABU-CYBMUJFWSA-N 2 0 327.457 3.268 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](COc2ccccc2)C1 ZINC000346349011 164373147 /nfs/dbraw/zinc/37/31/47/164373147.db2.gz IUYBCJRYHYPURS-GOSISDBHSA-N 2 0 348.450 3.477 10 0 EGAERP COC1CCC(CC[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000350223104 165019578 /nfs/dbraw/zinc/01/95/78/165019578.db2.gz KANMVBYSYMYKII-UHFFFAOYSA-N 2 0 328.460 3.261 10 0 EGAERP CC[NH+](CC)C[C@@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351663792 165123086 /nfs/dbraw/zinc/12/30/86/165123086.db2.gz GWQGCSHRVSLTJM-KRWDZBQOSA-N 2 0 326.488 3.251 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H]2CCC[C@H]21 ZINC000367613727 168249387 /nfs/dbraw/zinc/24/93/87/168249387.db2.gz DIPGRVYBAUNRPF-YESZJQIVSA-N 2 0 347.469 3.113 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887433 267302098 /nfs/dbraw/zinc/30/20/98/267302098.db2.gz ITVPVURZZWAVMP-APWZRJJASA-N 2 0 342.458 3.318 10 0 EGAERP C[C@@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000278831059 275278855 /nfs/dbraw/zinc/27/88/55/275278855.db2.gz TZITVOLKMYOYJR-WCXIOVBPSA-N 2 0 342.405 3.085 10 0 EGAERP Cc1ccncc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000279803295 275361020 /nfs/dbraw/zinc/36/10/20/275361020.db2.gz FABUHIBYPAAUST-QZTJIDSGSA-N 2 0 339.483 3.289 10 0 EGAERP C[C@@H](CCc1cccc(F)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289690468 276378866 /nfs/dbraw/zinc/37/88/66/276378866.db2.gz FLGOYBHPHZQMIF-KRWDZBQOSA-N 2 0 335.511 3.105 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000353454205 279137414 /nfs/dbraw/zinc/13/74/14/279137414.db2.gz IIUFASXIYWSGQC-PWRODBHTSA-N 3 0 329.532 3.491 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182622848 302118206 /nfs/dbraw/zinc/11/82/06/302118206.db2.gz MBCHUSMLQJLXIV-WRURNZQNSA-N 2 0 327.516 3.299 10 0 EGAERP Cc1nc(C[NH+]2CCC(CCC[NH+](C)C)CC2)nc2ccccc12 ZINC000123518221 307539962 /nfs/dbraw/zinc/53/99/62/307539962.db2.gz GTOBXFSYRMCQCQ-UHFFFAOYSA-N 2 0 326.488 3.492 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000414246934 309068662 /nfs/dbraw/zinc/06/86/62/309068662.db2.gz BYYPWIWWEFDNPT-FTEYMNFISA-N 2 0 330.516 3.485 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000414246935 309068682 /nfs/dbraw/zinc/06/86/82/309068682.db2.gz BYYPWIWWEFDNPT-HLNWXESRSA-N 2 0 330.516 3.485 10 0 EGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000414294311 309071095 /nfs/dbraw/zinc/07/10/95/309071095.db2.gz BYAUMIFGFLJUAK-FQEVSTJZSA-N 2 0 339.483 3.149 10 0 EGAERP FC(F)Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000292956474 308083761 /nfs/dbraw/zinc/08/37/61/308083761.db2.gz JYMMVHALBFRRCP-UHFFFAOYSA-N 2 0 334.414 3.034 10 0 EGAERP [NH3+]C1(CNC2CC[NH+](CCc3ccccc3)CC2)CCCCCC1 ZINC000414857528 309105934 /nfs/dbraw/zinc/10/59/34/309105934.db2.gz DRSDGGFCDZTIEK-UHFFFAOYSA-N 2 0 329.532 3.335 10 0 EGAERP Cc1nn2c(CNC[C@@H]([NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000414833748 309104460 /nfs/dbraw/zinc/10/44/60/309104460.db2.gz PZWQWXLHJLAITG-CQSZACIVSA-N 2 0 329.473 3.012 10 0 EGAERP Cc1ccc2[nH+]ccc(NCc3ccc(N4CC[NH+](C)CC4)nc3)c2c1 ZINC000302147576 308730856 /nfs/dbraw/zinc/73/08/56/308730856.db2.gz ITPGTKCVIZMEBZ-UHFFFAOYSA-N 2 0 347.466 3.302 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000397494352 308904532 /nfs/dbraw/zinc/90/45/32/308904532.db2.gz ACJXJNGBRQOCEZ-INIZCTEOSA-N 2 0 330.497 3.426 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000397573521 308904625 /nfs/dbraw/zinc/90/46/25/308904625.db2.gz ZUZCRCSHUQWBNJ-WSTZPKSXSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414952234 309111017 /nfs/dbraw/zinc/11/10/17/309111017.db2.gz IMRJNDAWRYFDEL-FOIQADDNSA-N 2 0 328.431 3.492 10 0 EGAERP CSc1ccccc1C[C@@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415049880 309116679 /nfs/dbraw/zinc/11/66/79/309116679.db2.gz HVQKGZNOLQDBBF-IPJUCJBFSA-N 2 0 347.572 3.146 10 0 EGAERP Clc1cccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1Cl ZINC000415052794 309116770 /nfs/dbraw/zinc/11/67/70/309116770.db2.gz LJKBEMMUJLVNLG-UHFFFAOYSA-N 2 0 342.314 3.299 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@@H](C)[NH2+]Cc2ccccc21 ZINC000415081085 309118827 /nfs/dbraw/zinc/11/88/27/309118827.db2.gz BOCSFVHOALREBE-OAHLLOKOSA-N 2 0 333.439 3.074 10 0 EGAERP CCOc1ccc(C2(C[NH2+]C[C@H]([NH3+])CC(C)C)CCOCC2)cc1 ZINC000415085446 309119386 /nfs/dbraw/zinc/11/93/86/309119386.db2.gz IFOOCQINNPOMDG-GOSISDBHSA-N 2 0 334.504 3.097 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000415896212 309146527 /nfs/dbraw/zinc/14/65/27/309146527.db2.gz CYFUSJQAUJJLOJ-INIZCTEOSA-N 2 0 332.492 3.040 10 0 EGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]C2CC3(C2)CCCCC3)cc1 ZINC000421345438 309319467 /nfs/dbraw/zinc/31/94/67/309319467.db2.gz XBYVVPIZGRXNBG-UHFFFAOYSA-N 2 0 343.515 3.181 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](CC)C2)CC1 ZINC000421369937 309320941 /nfs/dbraw/zinc/32/09/41/309320941.db2.gz BLHYWIIVPWNJRA-WOJBJXKFSA-N 2 0 345.531 3.266 10 0 EGAERP OC1(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000421857822 309343759 /nfs/dbraw/zinc/34/37/59/309343759.db2.gz OXTUROIMOHLTCG-ACDBMABISA-N 2 0 328.500 3.467 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)nc2c1 ZINC000422699059 309363477 /nfs/dbraw/zinc/36/34/77/309363477.db2.gz CIHSOCSFPCSADJ-BRWVUGGUSA-N 2 0 326.488 3.396 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707020 309363938 /nfs/dbraw/zinc/36/39/38/309363938.db2.gz GLMCYCNKRNPIGE-VNTMZGSJSA-N 2 0 333.495 3.329 10 0 EGAERP COc1ccc([C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422740100 309366021 /nfs/dbraw/zinc/36/60/21/309366021.db2.gz MGUQRRXQNLGWCQ-UIFIKXQLSA-N 2 0 345.531 3.198 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422753838 309366734 /nfs/dbraw/zinc/36/67/34/309366734.db2.gz FERRIGFIZCBKMA-GBESFXJTSA-N 2 0 332.488 3.147 10 0 EGAERP COc1ccc([C@H](NCCC[N@@H+]2CCCC[C@H]2C)[C@H]2CCC[NH2+]2)cc1 ZINC000422763603 309367241 /nfs/dbraw/zinc/36/72/41/309367241.db2.gz JJEKHFDJNTYBSZ-UIFIKXQLSA-N 2 0 345.531 3.342 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc(-c2ccc(OC)cc2)cs1 ZINC000422833052 309370871 /nfs/dbraw/zinc/37/08/71/309370871.db2.gz YASKGMKGMZJWIA-MRXNPFEDSA-N 2 0 334.485 3.267 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871270 309373138 /nfs/dbraw/zinc/37/31/38/309373138.db2.gz YNGOXMBOUKHEIU-ZFWWWQNUSA-N 2 0 346.425 3.056 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422888730 309374507 /nfs/dbraw/zinc/37/45/07/309374507.db2.gz NQDGBLVHVQQRQG-SJLPKXTDSA-N 2 0 333.863 3.168 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000422888894 309374537 /nfs/dbraw/zinc/37/45/37/309374537.db2.gz DWJYEFWUTGLQEL-WFXMLNOXSA-N 3 0 347.547 3.008 10 0 EGAERP C[C@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422903213 309375372 /nfs/dbraw/zinc/37/53/72/309375372.db2.gz VTCPAECXLIPWJS-KSSFIOAISA-N 2 0 329.419 3.491 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962751 309378401 /nfs/dbraw/zinc/37/84/01/309378401.db2.gz GUCAPALDLNOOQL-JXFKEZNVSA-N 2 0 332.536 3.400 10 0 EGAERP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993103 309379859 /nfs/dbraw/zinc/37/98/59/309379859.db2.gz SIVREUGYDRPKJI-WQZMEWCLSA-N 2 0 344.499 3.163 10 0 EGAERP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016730 309381184 /nfs/dbraw/zinc/38/11/84/309381184.db2.gz UKOAEBCFGATSTL-FFBKIPCZSA-N 2 0 337.870 3.097 10 0 EGAERP CN(C)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000423045681 309382776 /nfs/dbraw/zinc/38/27/76/309382776.db2.gz DDWDGOJGEMQKMD-QWFMPGPPSA-N 2 0 343.437 3.415 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423127678 309387223 /nfs/dbraw/zinc/38/72/23/309387223.db2.gz CIHBVYFIZLZRHR-NSHDSACASA-N 2 0 338.377 3.156 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423136386 309387843 /nfs/dbraw/zinc/38/78/43/309387843.db2.gz YWEWIRDSWFDDGZ-DOTOQJQBSA-N 2 0 329.444 3.278 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214552 309390629 /nfs/dbraw/zinc/39/06/29/309390629.db2.gz PCLDOKJXZZFPII-IINYFYTJSA-N 2 0 327.241 3.165 10 0 EGAERP Brc1cccc2c1C[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423284955 309393892 /nfs/dbraw/zinc/39/38/92/309393892.db2.gz ZAGAQGVOSWKMKV-ZFWWWQNUSA-N 2 0 337.305 3.286 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423284954 309394009 /nfs/dbraw/zinc/39/40/09/309394009.db2.gz ZAGAQGVOSWKMKV-UKRRQHHQSA-N 2 0 337.305 3.286 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCC[NH2+]C1 ZINC000423325408 309395248 /nfs/dbraw/zinc/39/52/48/309395248.db2.gz BUVAEABYPHXNCF-CVEARBPZSA-N 2 0 327.394 3.457 10 0 EGAERP COCC1(C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC[NH2+]CC1 ZINC000423412318 309399160 /nfs/dbraw/zinc/39/91/60/309399160.db2.gz WOWZHZJXUCKIFT-QGZVFWFLSA-N 2 0 326.431 3.268 10 0 EGAERP c1cn(C2CCCC2)nc1C[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000436472305 309756319 /nfs/dbraw/zinc/75/63/19/309756319.db2.gz ZUTSMKFXYXXPPR-UHFFFAOYSA-N 2 0 325.460 3.152 10 0 EGAERP Cc1n[nH]cc1CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449076382 310035211 /nfs/dbraw/zinc/03/52/11/310035211.db2.gz PIAHERHPRYCPOP-KRWDZBQOSA-N 2 0 340.515 3.336 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)C2CCOCC2)CC1 ZINC000449158295 310041042 /nfs/dbraw/zinc/04/10/42/310041042.db2.gz YHESVBYVKFWMLH-GOSISDBHSA-N 2 0 340.552 3.043 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449168268 310041962 /nfs/dbraw/zinc/04/19/62/310041962.db2.gz CZGZYQHDBAEPAH-DBXWQHBBSA-N 2 0 329.532 3.154 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000449229881 310046124 /nfs/dbraw/zinc/04/61/24/310046124.db2.gz FTFUFFFXKPDMAG-WSTZPKSXSA-N 2 0 330.516 3.487 10 0 EGAERP CO[C@@](C)(C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449334709 310054410 /nfs/dbraw/zinc/05/44/10/310054410.db2.gz GJXIPBMOKGHLAV-UTKZUKDTSA-N 2 0 330.516 3.487 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)[C@@H](C)C2)CC1 ZINC000449493591 310066638 /nfs/dbraw/zinc/06/66/38/310066638.db2.gz FDYDOMOVMGUPEF-RXVVDRJESA-N 2 0 345.531 3.075 10 0 EGAERP Cc1cccc(Cl)c1CN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000450621375 310133426 /nfs/dbraw/zinc/13/34/26/310133426.db2.gz IJDXVVCDATXZLG-JWTNVVGKSA-N 2 0 347.934 3.391 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCOCC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453280649 310268996 /nfs/dbraw/zinc/26/89/96/310268996.db2.gz FYPSUNQLHRTVEO-PWRODBHTSA-N 2 0 326.484 3.366 10 0 EGAERP C[N@H+](CCCC[NH2+][C@@H](c1ccc(F)cc1)c1cnccn1)C1CC1 ZINC000453407093 310275325 /nfs/dbraw/zinc/27/53/25/310275325.db2.gz RTVAAEKETIPCEW-IBGZPJMESA-N 2 0 328.435 3.169 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1NC(C)=O ZINC000459659098 310566995 /nfs/dbraw/zinc/56/69/95/310566995.db2.gz LLPKQNKBAAGVMV-CYBMUJFWSA-N 2 0 338.411 3.152 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@H]3[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000474040181 310784156 /nfs/dbraw/zinc/78/41/56/310784156.db2.gz ZLZRWVRQXQGQMG-HLAWJBBLSA-N 2 0 343.515 3.483 10 0 EGAERP CC(C)C1CC([NH2+]Cc2ccc(C(=O)NCC[NH+]3CCCC3)cc2)C1 ZINC000488506207 311069015 /nfs/dbraw/zinc/06/90/15/311069015.db2.gz YYHFFAFOTMHDQG-UHFFFAOYSA-N 2 0 343.515 3.036 10 0 EGAERP CCc1cccnc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000507515174 312076076 /nfs/dbraw/zinc/07/60/76/312076076.db2.gz UXLBOHDEVNOHTB-GOSISDBHSA-N 2 0 344.547 3.245 10 0 EGAERP COC(=O)[C@H](CC(C)C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000509035119 312108079 /nfs/dbraw/zinc/10/80/79/312108079.db2.gz VNQQKSXSVATCQS-IBGZPJMESA-N 2 0 347.503 3.208 10 0 EGAERP C[C@@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000510934498 312151185 /nfs/dbraw/zinc/15/11/85/312151185.db2.gz QVAASKIWNJOUSN-VQIMIIECSA-N 2 0 334.504 3.219 10 0 EGAERP C[NH+](C)[C@H]1CCC[N@H+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477295 313101453 /nfs/dbraw/zinc/10/14/53/313101453.db2.gz QCQAQKVOVXNRNF-KBWCOIMZSA-N 2 0 330.516 3.491 10 0 EGAERP Cc1cc([C@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)ccc1F ZINC000540302273 314373170 /nfs/dbraw/zinc/37/31/70/314373170.db2.gz PLANKFUASITQEL-OAQYLSRUSA-N 2 0 347.522 3.448 10 0 EGAERP C[C@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572049772 317283670 /nfs/dbraw/zinc/28/36/70/317283670.db2.gz YIUIGZFFGGQIIR-AZUAARDMSA-N 2 0 341.543 3.419 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NC[C@@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521332 317351239 /nfs/dbraw/zinc/35/12/39/317351239.db2.gz FMNAKSOQLDEWEL-PMACEKPBSA-N 2 0 339.527 3.258 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1ccsc1 ZINC000572731169 317383626 /nfs/dbraw/zinc/38/36/26/317383626.db2.gz CAHDKIPFKNLTKG-SFHVURJKSA-N 2 0 345.512 3.062 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CCC[NH+](CC)C2)cc1)C(C)C ZINC000171268522 323227288 /nfs/dbraw/zinc/22/72/88/323227288.db2.gz VQGDIMYZEGHJHK-LJQANCHMSA-N 2 0 331.504 3.131 10 0 EGAERP Cc1nnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000580681227 325282208 /nfs/dbraw/zinc/28/22/08/325282208.db2.gz SXOHPMQBXDVLER-NNZMDNLPSA-N 2 0 342.512 3.174 10 0 EGAERP CN(C)c1cc(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2n1 ZINC000623437223 460549308 /nfs/dbraw/zinc/54/93/08/460549308.db2.gz XNTSHLKCQLSTTB-INIZCTEOSA-N 2 0 326.488 3.263 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@H]2O)CC1(C)C ZINC000623507240 460587645 /nfs/dbraw/zinc/58/76/45/460587645.db2.gz AGCDZRCDGVHZHU-QKNQBKEWSA-N 2 0 348.506 3.362 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968603 460598500 /nfs/dbraw/zinc/59/85/00/460598500.db2.gz KVVHBICQSZKQEM-OAHLLOKOSA-N 2 0 346.302 3.053 10 0 EGAERP CSc1ccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623534565 460600525 /nfs/dbraw/zinc/60/05/25/460600525.db2.gz UOIVRILXCZVGAL-SJLPKXTDSA-N 2 0 335.561 3.474 10 0 EGAERP COc1ccc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cc1OC1CC1 ZINC000623575175 460621573 /nfs/dbraw/zinc/62/15/73/460621573.db2.gz OPWSXOMPTXDAPN-UHFFFAOYSA-N 2 0 344.499 3.448 10 0 EGAERP CC(=O)N1CC[C@@H]([NH2+]CCC[N@H+]2CCC[C@@H](C)C2)c2ccccc2C1 ZINC000095995509 454256720 /nfs/dbraw/zinc/25/67/20/454256720.db2.gz PRTMOXDYVKZOMO-DYESRHJHSA-N 2 0 343.515 3.192 10 0 EGAERP c1csc(-c2cnc(CN3CC[C@@H](Oc4ccncc4)C3)o2)c1 ZINC000131737496 454281270 /nfs/dbraw/zinc/28/12/70/454281270.db2.gz AYUIKEGMLPVYLM-CQSZACIVSA-N 2 0 327.409 3.451 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000132532522 454347635 /nfs/dbraw/zinc/34/76/35/454347635.db2.gz QSEPBDIKJIROJA-VQTJNVASSA-N 2 0 339.483 3.448 10 0 EGAERP COc1cc([C@@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1F ZINC000090937008 454351898 /nfs/dbraw/zinc/35/18/98/454351898.db2.gz CHXRZCRKTXSPKX-CQSZACIVSA-N 2 0 347.434 3.021 10 0 EGAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000635001176 460646111 /nfs/dbraw/zinc/64/61/11/460646111.db2.gz JHDDTKUHUHJRFB-INSZXIJUSA-N 2 0 347.300 3.065 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(n2cncn2)CC1 ZINC000092647989 454599179 /nfs/dbraw/zinc/59/91/79/454599179.db2.gz DLESWTFISPDWGS-UHFFFAOYSA-N 2 0 341.503 3.073 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CC3 ZINC000123112140 454603315 /nfs/dbraw/zinc/60/33/15/454603315.db2.gz FBERTKIUFGLSGX-HZPDHXFCSA-N 2 0 341.499 3.355 10 0 EGAERP CC1CC[NH+](CC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000136084453 454719346 /nfs/dbraw/zinc/71/93/46/454719346.db2.gz WFJGICVZORUYLA-UHFFFAOYSA-N 2 0 343.515 3.021 10 0 EGAERP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165727151 454903207 /nfs/dbraw/zinc/90/32/07/454903207.db2.gz DDTJFXDWMALJOV-HSALFYBXSA-N 2 0 343.515 3.093 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000178751578 454973452 /nfs/dbraw/zinc/97/34/52/454973452.db2.gz CNRQFXCHXBAHTM-SFHVURJKSA-N 2 0 348.450 3.448 10 0 EGAERP CC[N@H+](CC(=O)Nc1cccc(-c2cn3c(n2)CCCC3)c1)C1CC1 ZINC000151618838 455008180 /nfs/dbraw/zinc/00/81/80/455008180.db2.gz ZHWUPADOKJDRAP-UHFFFAOYSA-N 2 0 338.455 3.309 10 0 EGAERP C[N@H+](CCOC(C)(C)C)[C@@H]1CCC[NH+](CCOC(C)(C)C)CC1 ZINC000156964078 455158839 /nfs/dbraw/zinc/15/88/39/455158839.db2.gz AVKJKGJCPJZCDA-QGZVFWFLSA-N 2 0 328.541 3.403 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)[C@H](C)C1 ZINC000180415860 455165605 /nfs/dbraw/zinc/16/56/05/455165605.db2.gz OOTFGEFOYYYSLO-APWZRJJASA-N 2 0 326.488 3.249 10 0 EGAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000181283518 455312855 /nfs/dbraw/zinc/31/28/55/455312855.db2.gz RWDYGVZURRJVJK-UWVAXJGDSA-N 2 0 333.520 3.006 10 0 EGAERP C[C@@H]1CCN(CC(=O)Nc2ccc(Cl)cc2)C[C@H]1n1ccnc1 ZINC000245566515 455331158 /nfs/dbraw/zinc/33/11/58/455331158.db2.gz FARRFVVQLLDDMZ-CZUORRHYSA-N 2 0 332.835 3.058 10 0 EGAERP c1ccc2nc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2c1 ZINC000173955308 455344617 /nfs/dbraw/zinc/34/46/17/455344617.db2.gz DWQNRPHJYVNJBL-UHFFFAOYSA-N 2 0 339.483 3.312 10 0 EGAERP C[N@H+](CCCn1ccnc1)[C@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245652285 455348025 /nfs/dbraw/zinc/34/80/25/455348025.db2.gz HRXULKUUOPCHLP-CVEARBPZSA-N 2 0 340.254 3.170 10 0 EGAERP CCN(C)c1ccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000190703831 455370321 /nfs/dbraw/zinc/37/03/21/455370321.db2.gz VZFQAFJQTFJPCV-UHFFFAOYSA-N 2 0 338.499 3.423 10 0 EGAERP C[N@@H+]1CCC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245763534 455375500 /nfs/dbraw/zinc/37/55/00/455375500.db2.gz WASIGCXEHVAHAI-BURNTYAHSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245845941 455384743 /nfs/dbraw/zinc/38/47/43/455384743.db2.gz JHLJTXCGTSDYAE-IYWMVGAKSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000245844211 455385513 /nfs/dbraw/zinc/38/55/13/455385513.db2.gz KRJOWQNHRREDCS-ROUUACIJSA-N 2 0 326.488 3.421 10 0 EGAERP c1ccc(COCCC[N@@H+]2CC[C@@H](CNc3ccccn3)C2)cc1 ZINC000182402469 455506878 /nfs/dbraw/zinc/50/68/78/455506878.db2.gz KMJHZADFDYUOIG-IBGZPJMESA-N 2 0 325.456 3.422 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000247132934 455564246 /nfs/dbraw/zinc/56/42/46/455564246.db2.gz ATPNGKRSWNQNQJ-WQANXHIZSA-N 2 0 332.488 3.091 10 0 EGAERP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248144407 455688758 /nfs/dbraw/zinc/68/87/58/455688758.db2.gz PYOOPFUKOOWIGW-HKUYNNGSSA-N 2 0 332.488 3.035 10 0 EGAERP CCSc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000186218838 455719237 /nfs/dbraw/zinc/71/92/37/455719237.db2.gz IWNJUPVWZBIZEA-MRXNPFEDSA-N 2 0 336.545 3.323 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588094 455876181 /nfs/dbraw/zinc/87/61/81/455876181.db2.gz JCQKQQNZVPTQLI-NQIIRXRSSA-N 2 0 339.483 3.305 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2-c2ccccc2OC)[C@@H](C)C1 ZINC000281272733 456184614 /nfs/dbraw/zinc/18/46/14/456184614.db2.gz YPBPGOYVKXSZCH-FUHWJXTLSA-N 2 0 342.487 3.043 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273166519 456198525 /nfs/dbraw/zinc/19/85/25/456198525.db2.gz CWUFFVCBMQUTLT-INIZCTEOSA-N 2 0 331.504 3.065 10 0 EGAERP CCc1nnc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)s1 ZINC000290216706 456268983 /nfs/dbraw/zinc/26/89/83/456268983.db2.gz QMAXHIJBMLCFOJ-BRWVUGGUSA-N 2 0 342.512 3.101 10 0 EGAERP COc1cccc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098440 456478145 /nfs/dbraw/zinc/47/81/45/456478145.db2.gz SLVQCIKCALWVJH-IEBWSBKVSA-N 2 0 339.483 3.133 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000321279748 456636319 /nfs/dbraw/zinc/63/63/19/456636319.db2.gz IHDHPYHPPOADNJ-RHSMWYFYSA-N 2 0 335.879 3.051 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000353383583 456663590 /nfs/dbraw/zinc/66/35/90/456663590.db2.gz GEOUEESTZMQPEY-WNRNVDISSA-N 2 0 330.472 3.371 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353502138 456720746 /nfs/dbraw/zinc/72/07/46/456720746.db2.gz KWDPATNHUSSGOD-NJDAHSKKSA-N 3 0 329.532 3.489 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CCC[NH+]1Cc1ccccc1 ZINC000341066933 456812470 /nfs/dbraw/zinc/81/24/70/456812470.db2.gz KUEHOFFVNARGBZ-WSTZPKSXSA-N 2 0 343.515 3.030 10 0 EGAERP C[N@@H+]1CC[C@]2(CCN(Cc3cccc(C(=O)Nc4ccccc4)c3)C2)C1 ZINC000292042348 456837408 /nfs/dbraw/zinc/83/74/08/456837408.db2.gz APNNWPPISKIBFU-QFIPXVFZSA-N 2 0 349.478 3.467 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000348758089 456843749 /nfs/dbraw/zinc/84/37/49/456843749.db2.gz YHQFMRMNGBADGN-CNXCKVANSA-N 2 0 335.536 3.066 10 0 EGAERP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000338637745 456848237 /nfs/dbraw/zinc/84/82/37/456848237.db2.gz OWWSACUZQIPPAU-RTWAWAEBSA-N 2 0 345.531 3.295 10 0 EGAERP Cc1cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)s1 ZINC000347251497 457311607 /nfs/dbraw/zinc/31/16/07/457311607.db2.gz QDRRDTBMJQOGJM-PBHICJAKSA-N 2 0 339.549 3.108 10 0 EGAERP Cc1cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)s1 ZINC000347251503 457311881 /nfs/dbraw/zinc/31/18/81/457311881.db2.gz QDRRDTBMJQOGJM-YOEHRIQHSA-N 2 0 339.549 3.108 10 0 EGAERP OC1(C[NH2+][C@H]2CCCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000397583447 457488908 /nfs/dbraw/zinc/48/89/08/457488908.db2.gz HUHQHWOIBQHOMN-IBGZPJMESA-N 2 0 328.500 3.326 10 0 EGAERP Cc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000397633814 457490625 /nfs/dbraw/zinc/49/06/25/457490625.db2.gz ORQUHIXQKLWAPH-UHFFFAOYSA-N 2 0 338.495 3.420 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620818 457683877 /nfs/dbraw/zinc/68/38/77/457683877.db2.gz XWXDDAIKWAIZIM-UWJYYQICSA-N 2 0 342.527 3.149 10 0 EGAERP CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000411266128 457844897 /nfs/dbraw/zinc/84/48/97/457844897.db2.gz XFVPQHCBVVSAOU-OAQYLSRUSA-N 2 0 327.516 3.341 10 0 EGAERP CC1=CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234269 457876486 /nfs/dbraw/zinc/87/64/86/457876486.db2.gz WWDDRZYNOLWIKP-PZJWPPBQSA-N 2 0 327.516 3.281 10 0 EGAERP Cc1ccsc1[C@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407293 457984121 /nfs/dbraw/zinc/98/41/21/457984121.db2.gz TZXOQYJIHIRXSG-QAPCUYQASA-N 2 0 348.512 3.381 10 0 EGAERP C[C@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000445259860 458033219 /nfs/dbraw/zinc/03/32/19/458033219.db2.gz JALIACWWOGXELR-GCJKJVERSA-N 2 0 341.543 3.338 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375896436 458114061 /nfs/dbraw/zinc/11/40/61/458114061.db2.gz WUADCPUKPSFXKW-XUVXKRRUSA-N 2 0 332.488 3.064 10 0 EGAERP C[NH+](C)[C@@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543921 458307428 /nfs/dbraw/zinc/30/74/28/458307428.db2.gz UBTUVTDLIWIWJC-WOZUAGRISA-N 2 0 327.516 3.112 10 0 EGAERP C[C@@H]1CN(c2ccccc2C[NH2+]C2CCC(C[NH+](C)C)CC2)CCO1 ZINC000459451641 458376043 /nfs/dbraw/zinc/37/60/43/458376043.db2.gz QGUBEBYWQDNJTO-PGYGNJIDSA-N 2 0 345.531 3.122 10 0 EGAERP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000373143431 458409104 /nfs/dbraw/zinc/40/91/04/458409104.db2.gz WXDIXXHUHXKYRC-HKUYNNGSSA-N 2 0 348.556 3.399 10 0 EGAERP CSC1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000373143433 458409733 /nfs/dbraw/zinc/40/97/33/458409733.db2.gz WXDIXXHUHXKYRC-MJGOQNOKSA-N 2 0 348.556 3.399 10 0 EGAERP COc1ccc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1NC(C)=O ZINC000459659099 458439319 /nfs/dbraw/zinc/43/93/19/458439319.db2.gz LLPKQNKBAAGVMV-ZDUSSCGKSA-N 2 0 338.411 3.152 10 0 EGAERP Cc1cc(C)c([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1C ZINC000423506384 458445631 /nfs/dbraw/zinc/44/56/31/458445631.db2.gz IOUVKZICLCBPNV-XEVCZEQESA-N 2 0 329.532 3.479 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)[C@H](C)C2 ZINC000423507618 458446639 /nfs/dbraw/zinc/44/66/39/458446639.db2.gz JTGXOBCBPGWJSV-ZECJPWPQSA-N 2 0 327.516 3.034 10 0 EGAERP c1ccc([C@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423513743 458447553 /nfs/dbraw/zinc/44/75/53/458447553.db2.gz SARQYXWSAXAMDZ-JJBAYQRUSA-N 2 0 327.516 3.129 10 0 EGAERP CCC[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC)cc1 ZINC000423523587 458451603 /nfs/dbraw/zinc/45/16/03/458451603.db2.gz WFPFBHKWUVWJPU-GRERDSQWSA-N 2 0 345.531 3.342 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527081 458452697 /nfs/dbraw/zinc/45/26/97/458452697.db2.gz MBRMULPWGZKUFW-MOPMALPQSA-N 2 0 332.532 3.325 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459773783 458476105 /nfs/dbraw/zinc/47/61/05/458476105.db2.gz IWJKCCCVHJGEPG-PZJWPPBQSA-N 3 0 343.559 3.404 10 0 EGAERP CC[C@@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000502045566 458634868 /nfs/dbraw/zinc/63/48/68/458634868.db2.gz FVGDGTLZKMNLKF-RTBURBONSA-N 2 0 330.520 3.282 10 0 EGAERP C[NH+]1CCC(CC[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462795894 458655204 /nfs/dbraw/zinc/65/52/04/458655204.db2.gz YKKYFEPBYWMUJE-UHFFFAOYSA-N 2 0 332.488 3.463 10 0 EGAERP c1ccc(CC[NH+]2CCC(NC[C@@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000463246481 458685936 /nfs/dbraw/zinc/68/59/36/458685936.db2.gz DFBZJUZLXZNXDD-QFIPXVFZSA-N 2 0 341.543 3.300 10 0 EGAERP FC(F)(F)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[nH]n1 ZINC000440806884 458856222 /nfs/dbraw/zinc/85/62/22/458856222.db2.gz SZIHVNRLMGSPAD-UHFFFAOYSA-N 2 0 338.377 3.314 10 0 EGAERP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)[C@@H](c1ccccc1)N1CCOCC1 ZINC000520216666 459040025 /nfs/dbraw/zinc/04/00/25/459040025.db2.gz KQTFUUFUOHIIIO-QUCCMNQESA-N 2 0 345.531 3.090 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000594493764 459058861 /nfs/dbraw/zinc/05/88/61/459058861.db2.gz KJRDXLNRHGPGTC-ZIFCJYIRSA-N 2 0 328.456 3.067 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000557365657 459066791 /nfs/dbraw/zinc/06/67/91/459066791.db2.gz AEIPQQWRZHYDFX-UMSONDCASA-N 2 0 346.515 3.134 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@H]2CN(CC(C)C)CCO2)cc1 ZINC000557365659 459067073 /nfs/dbraw/zinc/06/70/73/459067073.db2.gz AEIPQQWRZHYDFX-VRXWPRPYSA-N 2 0 346.515 3.134 10 0 EGAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476284 459094818 /nfs/dbraw/zinc/09/48/18/459094818.db2.gz STUVFPQKNSTSKH-BEFAXECRSA-N 2 0 329.488 3.245 10 0 EGAERP c1ccc(-c2ncc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000532479980 459096102 /nfs/dbraw/zinc/09/61/02/459096102.db2.gz LOJOVCHJSIBITJ-UHFFFAOYSA-N 2 0 336.483 3.451 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000480146129 459185622 /nfs/dbraw/zinc/18/56/22/459185622.db2.gz VWZPZRLPZWRYLC-UYAOXDASSA-N 2 0 329.532 3.361 10 0 EGAERP CC(C)C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000480535693 459203693 /nfs/dbraw/zinc/20/36/93/459203693.db2.gz LMJPJFPUWXRXGD-NRSPTQNISA-N 2 0 331.548 3.463 10 0 EGAERP CC(C)C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+](C)C ZINC000480535692 459203854 /nfs/dbraw/zinc/20/38/54/459203854.db2.gz LMJPJFPUWXRXGD-HMXCVIKNSA-N 2 0 331.548 3.463 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]CCc1ccccc1Br ZINC000481721315 459271532 /nfs/dbraw/zinc/27/15/32/459271532.db2.gz VRCQUXOIRXUOIL-XJKCOSOUSA-N 2 0 325.294 3.310 10 0 EGAERP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000540787550 459387724 /nfs/dbraw/zinc/38/77/24/459387724.db2.gz QXDKOPVXNZVMBE-WKRCXCSHSA-N 2 0 345.531 3.438 10 0 EGAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000526001001 459528953 /nfs/dbraw/zinc/52/89/53/459528953.db2.gz GLHRSBLKMCKGID-IPJUCJBFSA-N 2 0 329.488 3.319 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c(C)c1 ZINC000542592335 459574318 /nfs/dbraw/zinc/57/43/18/459574318.db2.gz RAFSSWFPDBYRRL-UHFFFAOYSA-N 2 0 343.559 3.461 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393810 459589612 /nfs/dbraw/zinc/58/96/12/459589612.db2.gz CUGMJMLFRUVUFZ-RUGGUXRKSA-N 2 0 348.556 3.396 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000562986567 459686939 /nfs/dbraw/zinc/68/69/39/459686939.db2.gz MMVMYYWKSBBFBF-LJQANCHMSA-N 2 0 348.531 3.260 10 0 EGAERP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000562987342 459687085 /nfs/dbraw/zinc/68/70/85/459687085.db2.gz HKJQYKQPWJZJJC-HSALFYBXSA-N 2 0 348.531 3.082 10 0 EGAERP Cc1cc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)ccc1-n1cncn1 ZINC000527751103 459725455 /nfs/dbraw/zinc/72/54/55/459725455.db2.gz HACFLDFARLEKQV-IBGZPJMESA-N 2 0 339.487 3.072 10 0 EGAERP Cc1cc2ncc([C@@H](C)[NH2+]C[C@@H]3CCN3C3CCCC3)c(C)n2n1 ZINC000528007777 459795236 /nfs/dbraw/zinc/79/52/36/459795236.db2.gz CHXHJCLYSDXXDY-PBHICJAKSA-N 2 0 327.476 3.014 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCC2)o1 ZINC000628546238 460455463 /nfs/dbraw/zinc/45/54/63/460455463.db2.gz QONUZFSOPPSZBM-QGZVFWFLSA-N 2 0 347.503 3.258 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1(C)C ZINC000623385978 460520756 /nfs/dbraw/zinc/52/07/56/460520756.db2.gz FOIRIHGSNOMBPP-QGZVFWFLSA-N 3 0 335.561 3.423 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC1(C)C ZINC000623385607 460522087 /nfs/dbraw/zinc/52/20/87/460522087.db2.gz TZTIKFLURFJPKP-MRXNPFEDSA-N 2 0 332.488 3.198 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1(C)C ZINC000623400608 460529218 /nfs/dbraw/zinc/52/92/18/460529218.db2.gz ZPJIEKWXKYHZSM-UXHICEINSA-N 2 0 329.532 3.013 10 0 EGAERP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000629387249 460746830 /nfs/dbraw/zinc/74/68/30/460746830.db2.gz DFIVNSBFTIQKOC-HOTGVXAUSA-N 2 0 342.405 3.439 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000629404478 460748100 /nfs/dbraw/zinc/74/81/00/460748100.db2.gz OFQIDNCFPMCMIP-HOTGVXAUSA-N 2 0 330.394 3.167 10 0 EGAERP Cc1csc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000623899899 460767707 /nfs/dbraw/zinc/76/77/07/460767707.db2.gz XECLNIGXNFSARY-INIZCTEOSA-N 2 0 336.549 3.052 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000629530150 460797580 /nfs/dbraw/zinc/79/75/80/460797580.db2.gz WXZZMPKRBDTUTC-GOSISDBHSA-N 2 0 336.838 3.394 10 0 EGAERP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000629531651 460797634 /nfs/dbraw/zinc/79/76/34/460797634.db2.gz STTIVVDRHMZBEK-LASHMREHSA-N 2 0 338.536 3.107 10 0 EGAERP C[C@H](C[NH2+][C@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+](C)C ZINC000623987846 460811921 /nfs/dbraw/zinc/81/19/21/460811921.db2.gz QDMPRJYZLSHTKB-GHMZBOCLSA-N 2 0 337.817 3.472 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991964 460813894 /nfs/dbraw/zinc/81/38/94/460813894.db2.gz XFLQPQMHIVSXQL-JSGCOSHPSA-N 2 0 348.384 3.342 10 0 EGAERP Fc1ccc(SCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591168 460819021 /nfs/dbraw/zinc/81/90/21/460819021.db2.gz BWXLLLHOEUTJHF-QGZVFWFLSA-N 2 0 338.492 3.008 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000629654444 460849660 /nfs/dbraw/zinc/84/96/60/460849660.db2.gz RBBSMIGEQPAGHB-UHFFFAOYSA-N 2 0 345.468 3.224 10 0 EGAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624310830 460952725 /nfs/dbraw/zinc/95/27/25/460952725.db2.gz LGPAMNIJBMSNQD-YMQHIKHWSA-N 2 0 328.500 3.302 10 0 EGAERP Cc1ncc(C[NH+]2CCC3(CC[N@H+](Cc4ccccc4)C3)CC2)o1 ZINC000628188338 461039961 /nfs/dbraw/zinc/03/99/61/461039961.db2.gz WXTRFHINIVFESS-UHFFFAOYSA-N 2 0 325.456 3.471 10 0 EGAERP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248867 461141613 /nfs/dbraw/zinc/14/16/13/461141613.db2.gz LJRUBDPNXLCQRC-INIZCTEOSA-N 2 0 347.466 3.106 10 0 EGAERP c1ccc([C@@H]2C[N@@H+](C[C@@H]3CCC4(C[NH2+]C4)O3)Cc3ccccc32)cc1 ZINC000662249274 461142562 /nfs/dbraw/zinc/14/25/62/461142562.db2.gz RXKBRGKDTSZVLB-FPOVZHCZSA-N 2 0 334.463 3.155 10 0 EGAERP Clc1ccc(CC[N@H+](CC2CC2)C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254105 461143825 /nfs/dbraw/zinc/14/38/25/461143825.db2.gz FKNKHMRQVUCJGJ-SFHVURJKSA-N 2 0 334.891 3.116 10 0 EGAERP C[C@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000652353132 461146716 /nfs/dbraw/zinc/14/67/16/461146716.db2.gz FRMIXHKEGKSIOM-YJBOKZPZSA-N 2 0 346.519 3.227 10 0 EGAERP Oc1ccc(C[N@@H+](Cc2ccnn2-c2cc[nH+]cc2)CC2CC2)cc1 ZINC000668160966 461146740 /nfs/dbraw/zinc/14/67/40/461146740.db2.gz NAIJGWQQWQYZGK-UHFFFAOYSA-N 2 0 334.423 3.385 10 0 EGAERP Cc1cccc(CN(CC[NH+](C)C)Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000668161355 461148082 /nfs/dbraw/zinc/14/80/82/461148082.db2.gz ZKFSJSMSKRBRSM-UHFFFAOYSA-N 2 0 349.482 3.140 10 0 EGAERP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362002 461155400 /nfs/dbraw/zinc/15/54/00/461155400.db2.gz VLNUBAYWRSXYFD-CEWLAPEOSA-N 2 0 346.515 3.433 10 0 EGAERP c1ccc2c(c1)CCN2C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662279339 461163020 /nfs/dbraw/zinc/16/30/20/461163020.db2.gz RUCWEOCYZRHBPH-UHFFFAOYSA-N 2 0 347.506 3.359 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000662284227 461165862 /nfs/dbraw/zinc/16/58/62/461165862.db2.gz GGMFGOWPGJXTFV-LESCRADOSA-N 2 0 338.492 3.136 10 0 EGAERP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298189 461174833 /nfs/dbraw/zinc/17/48/33/461174833.db2.gz UUVXOOJJNKZCKU-GOEBONIOSA-N 2 0 349.906 3.379 10 0 EGAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCc2ccc3ccccc3c2)CCO1 ZINC000662319124 461188945 /nfs/dbraw/zinc/18/89/45/461188945.db2.gz DSOQKWXAMSQAKP-OAQYLSRUSA-N 2 0 326.484 3.425 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[C@@H](C)O1 ZINC000649721037 461304140 /nfs/dbraw/zinc/30/41/40/461304140.db2.gz IVNXPUSAPDFWIS-JXYJOFSCSA-N 2 0 328.500 3.443 10 0 EGAERP c1cnn(C2CC([NH2+]CC3CC[NH+](Cc4cccs4)CC3)C2)c1 ZINC000638456168 461438094 /nfs/dbraw/zinc/43/80/94/461438094.db2.gz IEJJGFWZEIACED-UHFFFAOYSA-N 2 0 330.501 3.150 10 0 EGAERP COc1ccc(-c2nc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000655825986 461480108 /nfs/dbraw/zinc/48/01/08/461480108.db2.gz ATNKVOIBGMUFSW-AKAXFMLLSA-N 2 0 331.485 3.249 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000655838674 461490362 /nfs/dbraw/zinc/49/03/62/461490362.db2.gz HFWWVZVMNXYTTA-XSLAGTTESA-N 2 0 326.525 3.059 10 0 EGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1oc2ccccc2c1Cl ZINC000631068842 461520826 /nfs/dbraw/zinc/52/08/26/461520826.db2.gz XIGGSGBEKCMBSR-CQSZACIVSA-N 2 0 336.863 3.413 10 0 EGAERP c1ccc(C[NH+]2CC[C@H](N[C@@H]3CC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000647181664 461551080 /nfs/dbraw/zinc/55/10/80/461551080.db2.gz MHIIYJHWBVBOAD-LEWJYISDSA-N 2 0 339.527 3.258 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(-n3ccnc3)cc2)[C@H](c2ccccc2)C1 ZINC000647248514 461589398 /nfs/dbraw/zinc/58/93/98/461589398.db2.gz DWKRFNDAIFOLSY-IRLDBZIGSA-N 2 0 346.478 3.307 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(Br)c(F)c1 ZINC000663502122 461675081 /nfs/dbraw/zinc/67/50/81/461675081.db2.gz FWZWSPKJWJJUQB-XHDPSFHLSA-N 2 0 331.273 3.482 10 0 EGAERP COc1ccc([C@H](Nc2cnn(-c3cc[nH+]cc3)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000643469360 461738466 /nfs/dbraw/zinc/73/84/66/461738466.db2.gz NTZCTYHYRJKVOZ-UXHICEINSA-N 2 0 349.438 3.181 10 0 EGAERP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543540 461756412 /nfs/dbraw/zinc/75/64/12/461756412.db2.gz OZAIZFGRDMLCQK-JKSUJKDBSA-N 2 0 342.512 3.417 10 0 EGAERP COc1cc2cc[nH+]c(N3CC[C@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OC ZINC000663720418 461772348 /nfs/dbraw/zinc/77/23/48/461772348.db2.gz ILNPLLDWNMPLTQ-WBVHZDCISA-N 2 0 341.455 3.173 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](C3CCC3)C3CCCCC3)C2)CC1 ZINC000643883253 461825654 /nfs/dbraw/zinc/82/56/54/461825654.db2.gz GSVMWKVFFRHDLG-FPOVZHCZSA-N 2 0 333.564 3.494 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCc1cccc(C[NH+](C)CC)c1 ZINC000663868819 461848942 /nfs/dbraw/zinc/84/89/42/461848942.db2.gz TZBFVLDYWJBIPF-UHFFFAOYSA-N 2 0 348.535 3.058 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639309764 461854161 /nfs/dbraw/zinc/85/41/61/461854161.db2.gz DVLLSOMIMFJGMM-LMQGHGSNSA-N 2 0 327.516 3.284 10 0 EGAERP CC1CCC(N(C(=O)CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901002 461877426 /nfs/dbraw/zinc/87/74/26/461877426.db2.gz INNSGRSDNUYPEL-MKQGEQSTSA-N 2 0 347.547 3.020 10 0 EGAERP COc1cc2c(cc1C[N@@H+]1CCC[C@@H](C3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000656785196 461896209 /nfs/dbraw/zinc/89/62/09/461896209.db2.gz KOUCCGCMMXKQFM-DOTOQJQBSA-N 2 0 344.499 3.230 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@@H]([NH3+])CCO3)C2)cc1C ZINC000650706408 461898996 /nfs/dbraw/zinc/89/89/96/461898996.db2.gz JUAWWQZJGWKMTL-GBESFXJTSA-N 2 0 332.488 3.030 10 0 EGAERP CC(C)[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(CO)CC=CC1 ZINC000648069925 461966599 /nfs/dbraw/zinc/96/65/99/461966599.db2.gz SJBFYFHOYMAQOG-FQEVSTJZSA-N 2 0 346.515 3.070 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667534421 462132258 /nfs/dbraw/zinc/13/22/58/462132258.db2.gz XQGCMAVHRQXKFG-SCTDSRPQSA-N 2 0 339.487 3.105 10 0 EGAERP c1nn2c(c1CNC[C@@H]1CCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657469986 462143550 /nfs/dbraw/zinc/14/35/50/462143550.db2.gz LLRNWEYOKRQLSA-IBGZPJMESA-N 2 0 338.499 3.221 10 0 EGAERP CCCOc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535105 462170891 /nfs/dbraw/zinc/17/08/91/462170891.db2.gz DUAFMVPVAQBTIV-UHFFFAOYSA-N 2 0 346.515 3.456 10 0 EGAERP CCCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657593901 462195151 /nfs/dbraw/zinc/19/51/51/462195151.db2.gz CFMYOWRZRPRGJN-QFIPXVFZSA-N 2 0 338.495 3.496 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3)cc2)C1 ZINC000657595390 462196864 /nfs/dbraw/zinc/19/68/64/462196864.db2.gz HUZOUNYLTMGYOZ-QGZVFWFLSA-N 2 0 348.849 3.336 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cscc3Cl)cc2)C1 ZINC000657594627 462197038 /nfs/dbraw/zinc/19/70/38/462197038.db2.gz CIKPTFYPYDQVRZ-MRXNPFEDSA-N 2 0 336.888 3.258 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cncc(Br)c2C)[C@@H](C)C1 ZINC000667666513 462199530 /nfs/dbraw/zinc/19/95/30/462199530.db2.gz PAAIFPGBPBURRE-LRDDRELGSA-N 2 0 340.309 3.315 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCO[C@@H]1CC1(F)F ZINC000657619174 462206915 /nfs/dbraw/zinc/20/69/15/462206915.db2.gz STOXOUQDCXJMPR-MRXNPFEDSA-N 2 0 326.431 3.158 10 0 EGAERP C[C@@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667707871 462223731 /nfs/dbraw/zinc/22/37/31/462223731.db2.gz LJORROZFBQONGE-YWZLYKJASA-N 2 0 334.423 3.091 10 0 EGAERP NC(=O)CC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCCCC1 ZINC000657799035 462273562 /nfs/dbraw/zinc/27/35/62/462273562.db2.gz UJLAKHXPTJAJFQ-UHFFFAOYSA-N 2 0 335.536 3.199 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657859955 462300012 /nfs/dbraw/zinc/30/00/12/462300012.db2.gz ZRIPLVNINHETTH-FQEVSTJZSA-N 2 0 338.536 3.062 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657901998 462311925 /nfs/dbraw/zinc/31/19/25/462311925.db2.gz YSJZPSOEXMKDAF-GOSISDBHSA-N 2 0 334.529 3.019 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657902000 462312209 /nfs/dbraw/zinc/31/22/09/462312209.db2.gz YSJZPSOEXMKDAF-SFHVURJKSA-N 2 0 334.529 3.019 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CO[C@H](C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000667914461 462319651 /nfs/dbraw/zinc/31/96/51/462319651.db2.gz HVMNIDVKQCKBPT-LGYWMIHWSA-N 2 0 328.500 3.444 10 0 EGAERP CC[C@H](COCC1CC1)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236657 462363680 /nfs/dbraw/zinc/36/36/80/462363680.db2.gz RQCNXWVSAIFMEH-KPFFTGBYSA-N 2 0 330.472 3.037 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000658063630 462363682 /nfs/dbraw/zinc/36/36/82/462363682.db2.gz KQVSPFQOJMXREC-IAGOWNOFSA-N 2 0 327.472 3.476 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000651878660 462365478 /nfs/dbraw/zinc/36/54/78/462365478.db2.gz YCZQEIYLIKYGHB-UHFFFAOYSA-N 2 0 330.516 3.382 10 0 EGAERP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277339 462381273 /nfs/dbraw/zinc/38/12/73/462381273.db2.gz ZHHUWMQJGAIVRC-HOJAQTOUSA-N 2 0 327.516 3.019 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000665285017 462384188 /nfs/dbraw/zinc/38/41/88/462384188.db2.gz AHOYOOQWHVYABQ-QGZVFWFLSA-N 2 0 345.531 3.451 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000665287054 462385369 /nfs/dbraw/zinc/38/53/69/462385369.db2.gz APRWMHGIFOWDEP-FQEVSTJZSA-N 2 0 347.503 3.009 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](CCC(C)C)c2ccoc2)CC1 ZINC000665289828 462387523 /nfs/dbraw/zinc/38/75/23/462387523.db2.gz YEGAMLDNIXNAPE-LJQANCHMSA-N 2 0 349.519 3.337 10 0 EGAERP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)COCc1ccccc1 ZINC000658130355 462396079 /nfs/dbraw/zinc/39/60/79/462396079.db2.gz OGCKGKHGUWJWAU-MXEMCNAFSA-N 2 0 346.515 3.071 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC[C@@H]3C3CC3)cc2)C1 ZINC000658138914 462401437 /nfs/dbraw/zinc/40/14/37/462401437.db2.gz PAIOZKFJIODWAG-NJYVYQBISA-N 2 0 328.500 3.312 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000658138421 462401990 /nfs/dbraw/zinc/40/19/90/462401990.db2.gz NCZABLIZIBQXKD-UXHICEINSA-N 2 0 339.483 3.279 10 0 EGAERP COC1([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCCCC1 ZINC000658142529 462405192 /nfs/dbraw/zinc/40/51/92/462405192.db2.gz ZSFVXIHUIGEIPL-XLIONFOSSA-N 2 0 346.515 3.081 10 0 EGAERP CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658144341 462406519 /nfs/dbraw/zinc/40/65/19/462406519.db2.gz LRQADRPKIKRZPQ-VXKWHMMOSA-N 2 0 338.495 3.364 10 0 EGAERP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658143274 462407076 /nfs/dbraw/zinc/40/70/76/462407076.db2.gz HBCYRSZCTNNDPM-UZLBHIALSA-N 2 0 340.467 3.113 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652138650 462445983 /nfs/dbraw/zinc/44/59/83/462445983.db2.gz LDINOLQJJQGARB-NRFANRHFSA-N 2 0 344.547 3.319 10 0 EGAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCC[C@H]4CCOC4)C3)C2)cc1 ZINC000645910630 462465034 /nfs/dbraw/zinc/46/50/34/462465034.db2.gz SNEDZFWTYPPQMQ-SFTDATJTSA-N 2 0 328.500 3.401 10 0 EGAERP C[C@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361150 462489874 /nfs/dbraw/zinc/48/98/74/462489874.db2.gz KWTAOAPDJWMGPB-XGHQBKJUSA-N 2 0 342.483 3.400 10 0 EGAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@H]2CC2CCC2)CC1 ZINC000662155970 462532542 /nfs/dbraw/zinc/53/25/42/462532542.db2.gz JECLQCPLQRAZQK-IBGZPJMESA-N 2 0 335.536 3.020 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222580 535497239 /nfs/dbraw/zinc/49/72/39/535497239.db2.gz LBUSXWKGMCUJEJ-RBUKOAKNSA-N 2 0 338.536 3.205 10 0 EGAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236936785 535607967 /nfs/dbraw/zinc/60/79/67/535607967.db2.gz LBULNGSCOGPPQW-AABGKKOBSA-N 2 0 343.515 3.065 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCOC1 ZINC000310183649 547461051 /nfs/dbraw/zinc/46/10/51/547461051.db2.gz WYIYTMJUSHPQQO-VIYGXFRKSA-N 2 0 328.500 3.302 10 0 EGAERP COc1cc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000392426818 547832743 /nfs/dbraw/zinc/83/27/43/547832743.db2.gz WYZCINONKJSYNO-LSDHHAIUSA-N 2 0 327.428 3.291 10 0 EGAERP C[C@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](C)CC1 ZINC000684557705 550343045 /nfs/dbraw/zinc/34/30/45/550343045.db2.gz CMEUZRPKIBMWJN-IGEOTXOUSA-N 2 0 347.469 3.112 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccccc2OCc2ccccn2)CC1 ZINC000105459133 1293039981 /nfs/dbraw/zinc/03/99/81/1293039981.db2.gz AAHXAGYGWHLKGU-UHFFFAOYSA-N 2 0 325.456 3.092 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000129204540 1293617485 /nfs/dbraw/zinc/61/74/85/1293617485.db2.gz GGTKKGQHWGUZSO-AWEZNQCLSA-N 2 0 337.489 3.158 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000158224991 1294200354 /nfs/dbraw/zinc/20/03/54/1294200354.db2.gz HMUHVHBTUNGLGC-KRWDZBQOSA-N 2 0 339.524 3.238 10 0 EGAERP CCN1CC2(C[C@H]1c1nnc(C)o1)CC[NH+](Cc1ccccc1)CC2 ZINC000257188613 1296583373 /nfs/dbraw/zinc/58/33/73/1296583373.db2.gz FVRCMHOLMBUGRC-SFHVURJKSA-N 2 0 340.471 3.427 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1 ZINC000872048852 1296699602 /nfs/dbraw/zinc/69/96/02/1296699602.db2.gz MTGUQQLGPSXERJ-VNQPRFMTSA-N 2 0 336.442 3.465 10 0 EGAERP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000872084015 1296723968 /nfs/dbraw/zinc/72/39/68/1296723968.db2.gz CMZVJERTJRJAIT-VQTJNVASSA-N 2 0 331.504 3.088 10 0 EGAERP COc1ccc(-c2noc([C@@H](C)[N@H+](C)CCCCCC[NH3+])n2)cc1 ZINC000872155562 1296772254 /nfs/dbraw/zinc/77/22/54/1296772254.db2.gz QCHZPAUPRQBTKR-CQSZACIVSA-N 2 0 332.448 3.257 10 0 EGAERP Cc1cc(C)c(NC(=O)C[N@H+](C)CCCCCC[NH3+])c(Cl)c1 ZINC000872155142 1296772421 /nfs/dbraw/zinc/77/24/21/1296772421.db2.gz MNBFJVYPKLYWRL-UHFFFAOYSA-N 2 0 325.884 3.346 10 0 EGAERP C[C@@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000872155787 1296774111 /nfs/dbraw/zinc/77/41/11/1296774111.db2.gz ZJLZVNGTDSLWQZ-ZDUSSCGKSA-N 2 0 345.409 3.483 10 0 EGAERP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1)C1CCCC1 ZINC000872156194 1296775831 /nfs/dbraw/zinc/77/58/31/1296775831.db2.gz GCQLXPOTCPNKCH-LPHOPBHVSA-N 2 0 335.536 3.055 10 0 EGAERP [NH3+][C@@H](C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)C1)C1CCCC1 ZINC000872158074 1296779471 /nfs/dbraw/zinc/77/94/71/1296779471.db2.gz SJMYABJESUGZAW-LPHOPBHVSA-N 2 0 344.503 3.030 10 0 EGAERP CC(C)C[NH+]1CCC(NC[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310064225 1297088324 /nfs/dbraw/zinc/08/83/24/1297088324.db2.gz APBPTOLXGIPWGF-HXUWFJFHSA-N 2 0 329.532 3.219 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378951825 1297529119 /nfs/dbraw/zinc/52/91/19/1297529119.db2.gz PYZHOOYTUWZXCH-MRXNPFEDSA-N 2 0 339.524 3.096 10 0 EGAERP COC(=O)[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397617582 1297701999 /nfs/dbraw/zinc/70/19/99/1297701999.db2.gz HPXVIFJHDIZVMU-UXHICEINSA-N 2 0 344.499 3.220 10 0 EGAERP C[C@H]1CC[C@@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C[NH2+]1 ZINC000398996585 1297721565 /nfs/dbraw/zinc/72/15/65/1297721565.db2.gz PQJDOJSCALSEFF-AZUAARDMSA-N 2 0 327.516 3.115 10 0 EGAERP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715561934 1298281426 /nfs/dbraw/zinc/28/14/26/1298281426.db2.gz MCENLXLVQSLKEI-RDHHWEPZSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H]1C[C@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000721641939 1298332407 /nfs/dbraw/zinc/33/24/07/1298332407.db2.gz PDIKGUOEDJVTHO-YHYVQYDKSA-N 2 0 335.495 3.035 10 0 EGAERP C[NH+](C)CC1CC[NH+](Cc2ccc(C(=O)OC(C)(C)C)s2)CC1 ZINC000893939702 1306138231 /nfs/dbraw/zinc/13/82/31/1306138231.db2.gz FQMVIDCESLDMNZ-UHFFFAOYSA-N 2 0 338.517 3.477 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+]Cc2cc3c(cccc3O)s2)CC1 ZINC000894172488 1306259845 /nfs/dbraw/zinc/25/98/45/1306259845.db2.gz BEDUSFVIDWGYMB-UHFFFAOYSA-N 2 0 347.528 3.114 10 0 EGAERP CC[N@H+](CC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)C1CC1 ZINC000894982676 1309144175 /nfs/dbraw/zinc/14/41/75/1309144175.db2.gz GHKYEYFUGUTTJZ-UHFFFAOYSA-N 2 0 343.393 3.190 10 0 EGAERP CCOCOc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC000895555730 1309398722 /nfs/dbraw/zinc/39/87/22/1309398722.db2.gz BSYSYUZRGZPKCU-QGZVFWFLSA-N 2 0 341.455 3.165 10 0 EGAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(F)F ZINC000895646229 1309446997 /nfs/dbraw/zinc/44/69/97/1309446997.db2.gz FONNJGSLPLHUHP-DOTOQJQBSA-N 2 0 338.442 3.037 10 0 EGAERP CC1=CC[C@@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000895649403 1309447779 /nfs/dbraw/zinc/44/77/79/1309447779.db2.gz PWTVHRRCDXJCAI-HXUWFJFHSA-N 2 0 328.500 3.492 10 0 EGAERP CC[C@H](C)[C@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000895650105 1309448348 /nfs/dbraw/zinc/44/83/48/1309448348.db2.gz ULTPCHMWEGCDFK-ICSRJNTNSA-N 2 0 348.531 3.054 10 0 EGAERP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000858501089 1328781109 /nfs/dbraw/zinc/78/11/09/1328781109.db2.gz XBXKBANMURIDTJ-WCXIOVBPSA-N 2 0 339.524 3.094 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000858504335 1328782902 /nfs/dbraw/zinc/78/29/02/1328782902.db2.gz PQAQOWWFQWLZCT-MNEFBYGVSA-N 2 0 334.504 3.271 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cnn(CCF)c2)CC1)CC(C)C ZINC000930180327 1328805676 /nfs/dbraw/zinc/80/56/76/1328805676.db2.gz VHJXIZFAHHQKBV-UHFFFAOYSA-N 2 0 338.515 3.433 10 0 EGAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)Cc1ccnc(F)c1 ZINC000859225815 1328950882 /nfs/dbraw/zinc/95/08/82/1328950882.db2.gz LBYRXQHDOJKCDF-UHFFFAOYSA-N 2 0 328.435 3.354 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+][C@@H](C)CCN2CC[NH+](C)CC2)c1Cl ZINC000922012478 1322439531 /nfs/dbraw/zinc/43/95/31/1322439531.db2.gz RYDPEASWLMFTRR-ZDUSSCGKSA-N 2 0 344.330 3.417 10 0 EGAERP C[C@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923286915 1322725762 /nfs/dbraw/zinc/72/57/62/1322725762.db2.gz BNKVDEMZOCOMJU-NZUILWFCSA-N 2 0 342.405 3.228 10 0 EGAERP Cc1cccc(C)c1NC(=O)C[N@H+](C)CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923297549 1322728307 /nfs/dbraw/zinc/72/83/07/1322728307.db2.gz JTJQWBBECBTCCQ-AYHJJNSGSA-N 2 0 329.488 3.094 10 0 EGAERP O=C(CC1CCCC1)N1CCC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923304291 1322729856 /nfs/dbraw/zinc/72/98/56/1322729856.db2.gz QPKANYNNBYKCGQ-IHWFROFDSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CCC[NH2+]C1CC1)CCCc1cc(-c2cccc(F)c2)n[nH]1 ZINC000923310458 1322730936 /nfs/dbraw/zinc/73/09/36/1322730936.db2.gz VWFQBHRUUDTROX-UHFFFAOYSA-N 2 0 330.451 3.222 10 0 EGAERP CCN(CC)C(=O)C1([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CCCCC1 ZINC000923319678 1322733538 /nfs/dbraw/zinc/73/35/38/1322733538.db2.gz YZSHJRRVSHJMQD-AYHJJNSGSA-N 2 0 335.536 3.068 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c(Cl)oc3ccccc31)CC2 ZINC000923444897 1322752832 /nfs/dbraw/zinc/75/28/32/1322752832.db2.gz IPSRFSYSEHQGJH-ZDUSSCGKSA-N 2 0 334.847 3.416 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOc1ccc3ccccc3c1)CC2 ZINC000923449654 1322753102 /nfs/dbraw/zinc/75/31/02/1322753102.db2.gz POXOWBMIDKWHPA-HXUWFJFHSA-N 2 0 340.467 3.048 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](C[C@@H]1CC[C@@H](c3ccccc3)C1)CC2 ZINC000923453845 1322753941 /nfs/dbraw/zinc/75/39/41/1322753941.db2.gz ZGIVTQPRYWUBJH-MISYRCLQSA-N 2 0 328.500 3.400 10 0 EGAERP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499359 1322763016 /nfs/dbraw/zinc/76/30/16/1322763016.db2.gz MYUWQBHVSOZXSL-VKJFTORMSA-N 2 0 331.504 3.055 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000924606877 1323074027 /nfs/dbraw/zinc/07/40/27/1323074027.db2.gz GLKNEGJIHLSLFL-FPOVZHCZSA-N 2 0 340.515 3.291 10 0 EGAERP CC(C)C(=O)N1CCC([NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924632955 1323085033 /nfs/dbraw/zinc/08/50/33/1323085033.db2.gz OZTFLTYTMMSRMS-MRXNPFEDSA-N 2 0 331.504 3.046 10 0 EGAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(COCc2ccco2)c1 ZINC000924652183 1323093393 /nfs/dbraw/zinc/09/33/93/1323093393.db2.gz CQIMKZFMSYZGJJ-PMSBKCLSSA-N 2 0 340.467 3.426 10 0 EGAERP CCn1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000924864837 1323192299 /nfs/dbraw/zinc/19/22/99/1323192299.db2.gz CZGXGYMTDUFYOZ-AWEZNQCLSA-N 2 0 347.532 3.231 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924956203 1323226471 /nfs/dbraw/zinc/22/64/71/1323226471.db2.gz VIBHYZGWEWIJNE-AZUAARDMSA-N 2 0 332.536 3.151 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+]C3CC(Sc4ccccc4)C3)C2)CC1 ZINC000925040693 1323254534 /nfs/dbraw/zinc/25/45/34/1323254534.db2.gz KREUWZCAXIWYDM-VXESANQCSA-N 2 0 345.556 3.068 10 0 EGAERP CC(C)(C)OC(=O)NCC1CC([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000925306063 1325119582 /nfs/dbraw/zinc/11/95/82/1325119582.db2.gz FVBWCXZTNNNJPT-UHFFFAOYSA-N 2 0 339.524 3.142 10 0 EGAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]CCCc1nc(-c2ccncc2)cs1 ZINC000925406517 1325143090 /nfs/dbraw/zinc/14/30/90/1325143090.db2.gz FLODNGWDHUTOQG-MCPYQZEQSA-N 2 0 342.512 3.068 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H]2CCc3c2nccc3Cl)C[C@H](C)O1 ZINC000925438460 1325149580 /nfs/dbraw/zinc/14/95/80/1325149580.db2.gz AXVBKEQQZVZBIR-VBQJREDUSA-N 2 0 337.895 3.201 10 0 EGAERP CC1(C)[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925544410 1325200068 /nfs/dbraw/zinc/20/00/68/1325200068.db2.gz QYVRVTIIJQGBQH-QHAWAJNXSA-N 2 0 341.543 3.060 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925565305 1325211593 /nfs/dbraw/zinc/21/15/93/1325211593.db2.gz ZTLKQKVEBCXNJE-HKBOAZHASA-N 2 0 341.543 3.326 10 0 EGAERP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925580129 1325219465 /nfs/dbraw/zinc/21/94/65/1325219465.db2.gz IQRNCIOXOOKKBM-RTBURBONSA-N 2 0 345.487 3.165 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594273 1325224976 /nfs/dbraw/zinc/22/49/76/1325224976.db2.gz QDSLWMCOSWIOHD-IRXDYDNUSA-N 2 0 334.891 3.248 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608430 1325229949 /nfs/dbraw/zinc/22/99/49/1325229949.db2.gz XQPXDNLIJAKEGN-SZVBFZGTSA-N 2 0 330.520 3.103 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925621479 1325235239 /nfs/dbraw/zinc/23/52/39/1325235239.db2.gz HRGDKWSZOIYUAL-NHCUHLMSSA-N 2 0 346.515 3.360 10 0 EGAERP C[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nc(-c2ccccc2)no1 ZINC000925630287 1325239321 /nfs/dbraw/zinc/23/93/21/1325239321.db2.gz QNLYLBZHBCJSSA-MXASKKJJSA-N 2 0 340.471 3.206 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C1 ZINC000925652783 1325249011 /nfs/dbraw/zinc/24/90/11/1325249011.db2.gz ANGVNVVXHQTQBI-STQMWFEESA-N 2 0 331.382 3.018 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653554 1325249036 /nfs/dbraw/zinc/24/90/36/1325249036.db2.gz NCHRJBKPGKRVRY-OJAHFUOMSA-N 2 0 327.516 3.269 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000925660110 1325253046 /nfs/dbraw/zinc/25/30/46/1325253046.db2.gz ZUQBHUVCVJZOCC-JXFKEZNVSA-N 2 0 348.437 3.186 10 0 EGAERP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1ccccc1 ZINC000925659536 1325253081 /nfs/dbraw/zinc/25/30/81/1325253081.db2.gz WAHJYWNJGOJTKO-XGARDCMYSA-N 2 0 344.543 3.374 10 0 EGAERP c1ccc(C[NH+]2CCC(CC[NH2+][C@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925721477 1325269320 /nfs/dbraw/zinc/26/93/20/1325269320.db2.gz CROOBSUGABKMSD-FQEVSTJZSA-N 3 0 327.516 3.163 10 0 EGAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925721763 1325269574 /nfs/dbraw/zinc/26/95/74/1325269574.db2.gz FNFWEKAUDPWLCT-CQSZACIVSA-N 2 0 326.366 3.009 10 0 EGAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000925766086 1325290607 /nfs/dbraw/zinc/29/06/07/1325290607.db2.gz GKGDZILFQYGUGG-DZFGPLHGSA-N 2 0 336.483 3.054 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925771731 1325291751 /nfs/dbraw/zinc/29/17/51/1325291751.db2.gz CRUJDYZOMQBVPL-VQTJNVASSA-N 2 0 346.515 3.422 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000925798564 1325306770 /nfs/dbraw/zinc/30/67/70/1325306770.db2.gz LQHWKLKLHKMARW-YRGRVCCFSA-N 2 0 341.293 3.354 10 0 EGAERP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925804175 1325308136 /nfs/dbraw/zinc/30/81/36/1325308136.db2.gz DLINMAFPSZYCAL-PWRODBHTSA-N 2 0 338.499 3.315 10 0 EGAERP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814317 1325313599 /nfs/dbraw/zinc/31/35/99/1325313599.db2.gz HSBGYUJERFBEGZ-IBGZPJMESA-N 2 0 343.540 3.353 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2ccccc2s1 ZINC000925850003 1325329309 /nfs/dbraw/zinc/32/93/09/1325329309.db2.gz LKJHXJCXEQDMQP-UKRRQHHQSA-N 2 0 344.480 3.237 10 0 EGAERP Cc1ccc2cc([C@H](C)[NH2+]C[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850733 1325329665 /nfs/dbraw/zinc/32/96/65/1325329665.db2.gz PPYWGECWBRJYGC-GOEBONIOSA-N 2 0 342.439 3.077 10 0 EGAERP CC(C)C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925854334 1325331395 /nfs/dbraw/zinc/33/13/95/1325331395.db2.gz RINVVLWZQQFRLC-ROUUACIJSA-N 2 0 330.472 3.049 10 0 EGAERP O=C1O[C@@H](C[NH2+]C2c3ccccc3-c3ccccc32)CC12CC[NH2+]CC2 ZINC000925857972 1325333147 /nfs/dbraw/zinc/33/31/47/1325333147.db2.gz QZXSYLUVKUXNRF-OAHLLOKOSA-N 2 0 348.446 3.031 10 0 EGAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925880991 1325341322 /nfs/dbraw/zinc/34/13/22/1325341322.db2.gz PFGSRJUWJUTKQG-NJDAHSKKSA-N 2 0 328.500 3.448 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000926137345 1325443954 /nfs/dbraw/zinc/44/39/54/1325443954.db2.gz UKIWMXHNVXKPKG-WTGUMLROSA-N 2 0 344.499 3.028 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@@H](C)[NH+]2CCCCC2)n(C)n1 ZINC000926141721 1325444621 /nfs/dbraw/zinc/44/46/21/1325444621.db2.gz INQAMIAIJILFCE-WSTZPKSXSA-N 2 0 332.536 3.294 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926350747 1325524772 /nfs/dbraw/zinc/52/47/72/1325524772.db2.gz GMZVZXVLRWEATG-MAKTXDPSSA-N 2 0 328.500 3.446 10 0 EGAERP O[C@@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000926782444 1327715339 /nfs/dbraw/zinc/71/53/39/1327715339.db2.gz BGIPCBPVWGFFQR-FBVQUNGASA-N 2 0 338.442 3.178 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]C[C@@H]2C=C[C@H]4C[C@@H]2CO4)C3)cc1 ZINC000926936634 1327785316 /nfs/dbraw/zinc/78/53/16/1327785316.db2.gz LEZYDSHATSJWFG-GCOBIYGJSA-N 2 0 338.495 3.363 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)CC2)C1 ZINC000927058178 1327833237 /nfs/dbraw/zinc/83/32/37/1327833237.db2.gz OSXRTKBOUSYMAM-BHNDVYRESA-N 2 0 336.520 3.302 10 0 EGAERP C[C@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927157957 1327898236 /nfs/dbraw/zinc/89/82/36/1327898236.db2.gz AAXJPNIURZFSSY-QFBILLFUSA-N 2 0 332.488 3.379 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)c1 ZINC000928010507 1328170220 /nfs/dbraw/zinc/17/02/20/1328170220.db2.gz CJENAQFNLQKYRT-UHFFFAOYSA-N 2 0 343.515 3.275 10 0 EGAERP Cc1c(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)ccnc1F ZINC000862279327 1329473528 /nfs/dbraw/zinc/47/35/28/1329473528.db2.gz QMOBAPFHWWRXPV-UHFFFAOYSA-N 2 0 343.446 3.294 10 0 EGAERP CCCn1nccc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865774703 1329737266 /nfs/dbraw/zinc/73/72/66/1329737266.db2.gz LFHGHXIRBSLQAN-UHFFFAOYSA-N 2 0 326.488 3.046 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866011346 1329758877 /nfs/dbraw/zinc/75/88/77/1329758877.db2.gz CZWJCOOFHBAGOE-QZTJIDSGSA-N 2 0 340.515 3.027 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC([NH+]2CCN(C)CC2)CC1 ZINC000866213695 1330079227 /nfs/dbraw/zinc/07/92/27/1330079227.db2.gz WHQYRYKDKVZQAP-UHFFFAOYSA-N 2 0 338.499 3.068 10 0 EGAERP Cc1cc(N(C)CC[NH+]2CC3(C2)CCOCC3)c2ccccc2[nH+]1 ZINC000866256143 1330085910 /nfs/dbraw/zinc/08/59/10/1330085910.db2.gz JZSOXXRTXWMEBR-UHFFFAOYSA-N 2 0 325.456 3.092 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000866279319 1330089722 /nfs/dbraw/zinc/08/97/22/1330089722.db2.gz PNOMUJAKRPHOKD-QRWLVFNGSA-N 2 0 333.495 3.065 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866511906 1330120149 /nfs/dbraw/zinc/12/01/49/1330120149.db2.gz YBYLQADNASUOFK-LRQRDZAKSA-N 2 0 346.515 3.483 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000866515946 1330120733 /nfs/dbraw/zinc/12/07/33/1330120733.db2.gz OMEPPHNNLSUSSO-FVWXCPNNSA-N 2 0 347.503 3.265 10 0 EGAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516667 1330121035 /nfs/dbraw/zinc/12/10/35/1330121035.db2.gz RWYCXTMWSHETRE-ZRZPHAQCSA-N 2 0 331.504 3.281 10 0 EGAERP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000868151694 1330255466 /nfs/dbraw/zinc/25/54/66/1330255466.db2.gz UQNAOJFMCVHALD-HXUWFJFHSA-N 2 0 346.519 3.020 10 0 EGAERP C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001323083249 1387285357 /nfs/dbraw/zinc/28/53/57/1387285357.db2.gz YJTJLMAVTUZJCQ-PXNSSMCTSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001323644738 1387416339 /nfs/dbraw/zinc/41/63/39/1387416339.db2.gz WNILTONSSPPEID-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323813690 1387466224 /nfs/dbraw/zinc/46/62/24/1387466224.db2.gz SMMWROFZNRWDCY-WIYYLYMNSA-N 2 0 343.515 3.014 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001323874243 1387486370 /nfs/dbraw/zinc/48/63/70/1387486370.db2.gz SHEITZOSEMQTFQ-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324097637 1387540368 /nfs/dbraw/zinc/54/03/68/1387540368.db2.gz LUNQPCGKLZUBLG-SJLPKXTDSA-N 2 0 349.544 3.093 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCCC2)C1 ZINC001324769092 1387764781 /nfs/dbraw/zinc/76/47/81/1387764781.db2.gz ASXKJLDUDQNATI-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001324781755 1387770062 /nfs/dbraw/zinc/77/00/62/1387770062.db2.gz ASZTZRNDQAVKEG-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001324813598 1387782005 /nfs/dbraw/zinc/78/20/05/1387782005.db2.gz ORBUOGLTBODJBM-FPOVZHCZSA-N 2 0 345.531 3.164 10 0 EGAERP CN1CCC[C@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001197498159 1368827430 /nfs/dbraw/zinc/82/74/30/1368827430.db2.gz XLRISIUHZRGJOG-SFTDATJTSA-N 2 0 327.516 3.341 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001325465648 1387982325 /nfs/dbraw/zinc/98/23/25/1387982325.db2.gz HYKYGNXCGNZVKL-PXNSSMCTSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001326285635 1388141974 /nfs/dbraw/zinc/14/19/74/1388141974.db2.gz GEKVJKLUPQTOEG-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001326335706 1388157108 /nfs/dbraw/zinc/15/71/08/1388157108.db2.gz WCESAGFXEVBIJK-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])c1 ZINC001326369062 1388168322 /nfs/dbraw/zinc/16/83/22/1388168322.db2.gz BLUKFLAQDCZQHE-WOJBJXKFSA-N 2 0 345.531 3.442 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001326384104 1388173204 /nfs/dbraw/zinc/17/32/04/1388173204.db2.gz RUCCCMXQCBRZCP-BGEOSOQGSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707905 1377163379 /nfs/dbraw/zinc/16/33/79/1377163379.db2.gz GZHGAUCMZANXBE-UHDDOPSISA-N 2 0 349.563 3.435 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001266059125 1377179497 /nfs/dbraw/zinc/17/94/97/1377179497.db2.gz DYKKUYOOLDHSMJ-HOTGVXAUSA-N 2 0 341.515 3.016 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]([NH+](C)CCCC3CCC3)C2)CC[N@@H+]1C ZINC001266099811 1377185135 /nfs/dbraw/zinc/18/51/35/1377185135.db2.gz NMDCBBJVGXACRD-HSALFYBXSA-N 2 0 349.563 3.220 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001266143503 1377205935 /nfs/dbraw/zinc/20/59/35/1377205935.db2.gz HJLLSPKENHMCSA-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001266222318 1377233405 /nfs/dbraw/zinc/23/34/05/1377233405.db2.gz ADRFWDMREHDKQT-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)CC1CC2(CCC2)C1 ZINC001327291597 1388487379 /nfs/dbraw/zinc/48/73/79/1388487379.db2.gz QHVMUZAFGOIDRR-HDICACEKSA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1)c1ccccc1 ZINC001266559793 1377333752 /nfs/dbraw/zinc/33/37/52/1377333752.db2.gz NJCAEUSFIJXTJY-VQTJNVASSA-N 2 0 345.531 3.306 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001266614213 1377344112 /nfs/dbraw/zinc/34/41/12/1377344112.db2.gz XGJVIGGNHDRTEF-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267207279 1377430086 /nfs/dbraw/zinc/43/00/86/1377430086.db2.gz CCPLOUURPYJCHI-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](C[N@H+](C)C/C=C/c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741545 1377523621 /nfs/dbraw/zinc/52/36/21/1377523621.db2.gz TZGPBBFEYFGWSL-HGZMWJMZSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001269085120 1377537970 /nfs/dbraw/zinc/53/79/70/1377537970.db2.gz RBFFGLFBCFMEEY-MOPGFXCFSA-N 2 0 349.563 3.027 10 0 EGAERP [NH3+][C@H]1CCCC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001327468524 1388528246 /nfs/dbraw/zinc/52/82/46/1388528246.db2.gz NHKBVYGLUYREAG-MSOLQXFVSA-N 2 0 347.528 3.331 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001273084304 1378086976 /nfs/dbraw/zinc/08/69/76/1378086976.db2.gz JLBSQOMEKIPMBQ-SFHVURJKSA-N 2 0 347.547 3.068 10 0 EGAERP C[C@H]([NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001276634336 1378182682 /nfs/dbraw/zinc/18/26/82/1378182682.db2.gz SMNQADDZIIAYFU-LPHOPBHVSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)Cc1ccc([C@@H](CNC(=O)[C@@H](C)CC[NH+](C)C)[NH+](C)C)cc1 ZINC001141779301 1378374798 /nfs/dbraw/zinc/37/47/98/1378374798.db2.gz ANVJVQQKRLOQQN-FXAWDEMLSA-N 2 0 347.547 3.192 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001281968889 1378465891 /nfs/dbraw/zinc/46/58/91/1378465891.db2.gz QZHNOVLUPKJTAM-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001282619405 1378518790 /nfs/dbraw/zinc/51/87/90/1378518790.db2.gz SQNTZTJUZTXKDN-WAYWQWQTSA-N 2 0 349.563 3.483 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)C=C1CCC(C)(C)CC1 ZINC001143140179 1378546317 /nfs/dbraw/zinc/54/63/17/1378546317.db2.gz LHJFJLMLTYGGIL-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001282677958 1378549317 /nfs/dbraw/zinc/54/93/17/1378549317.db2.gz LBCCMLHADFDDDK-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001282678381 1378550420 /nfs/dbraw/zinc/55/04/20/1378550420.db2.gz RTXLBCVCNUMYLD-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001282678608 1378551814 /nfs/dbraw/zinc/55/18/14/1378551814.db2.gz WZKVCYMJJFOQTI-BBIZLLLXSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001282947466 1378680274 /nfs/dbraw/zinc/68/02/74/1378680274.db2.gz LBHFNNORSHZQGR-GBESFXJTSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283172354 1378752843 /nfs/dbraw/zinc/75/28/43/1378752843.db2.gz BJNAWVZHCWESDO-YLJYHZDGSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001283222127 1378764756 /nfs/dbraw/zinc/76/47/56/1378764756.db2.gz NIERCGWOTHJREQ-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001283423911 1378913228 /nfs/dbraw/zinc/91/32/28/1378913228.db2.gz HLMUVOHWHHPPTB-PMACEKPBSA-N 2 0 343.515 3.274 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001283434606 1378926692 /nfs/dbraw/zinc/92/66/92/1378926692.db2.gz RFKYUYZXLRKHFU-LJQANCHMSA-N 2 0 345.531 3.498 10 0 EGAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001283552465 1379013363 /nfs/dbraw/zinc/01/33/63/1379013363.db2.gz HCPNCJIWACGOTC-QUCCMNQESA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283623933 1379061808 /nfs/dbraw/zinc/06/18/08/1379061808.db2.gz XRKLRIADZUBSOH-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC001284056937 1379408393 /nfs/dbraw/zinc/40/83/93/1379408393.db2.gz JKEUIJAGEQVUKK-FINBZEBFSA-N 2 0 347.547 3.186 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001284188312 1379580440 /nfs/dbraw/zinc/58/04/40/1379580440.db2.gz HOQQHQSGJZCNEX-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284349865 1379748566 /nfs/dbraw/zinc/74/85/66/1379748566.db2.gz QZLFVDQYZPAJHH-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH+]1CCC(C(=O)NC[C@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001152053333 1379851671 /nfs/dbraw/zinc/85/16/71/1379851671.db2.gz PBQLUZSXEKTCPF-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001284529257 1379932922 /nfs/dbraw/zinc/93/29/22/1379932922.db2.gz FTFWDWLRCLRAAW-HKUYNNGSSA-N 2 0 331.504 3.011 10 0 EGAERP CC(C)N(CCN(C)[C@H](C)c1ccccc1F)C(=O)C[NH+]1CCCC1 ZINC001284558125 1379967423 /nfs/dbraw/zinc/96/74/23/1379967423.db2.gz IXIGUIKWGKYANS-QGZVFWFLSA-N 2 0 349.494 3.151 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001327990894 1388639775 /nfs/dbraw/zinc/63/97/75/1388639775.db2.gz PFIZSXLTCMSUKU-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001284702878 1380118847 /nfs/dbraw/zinc/11/88/47/1380118847.db2.gz YTXZWQYKWXIFFF-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1c(C(=O)N(C)C2CC([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001284780571 1380203589 /nfs/dbraw/zinc/20/35/89/1380203589.db2.gz VTDDMQDXOVAVGU-UHFFFAOYSA-N 2 0 342.487 3.272 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001328051110 1388654290 /nfs/dbraw/zinc/65/42/90/1388654290.db2.gz SLYNUVLTSUPUPG-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C(C)(C)C[NH+]1CCCCCC1 ZINC001154825621 1380359250 /nfs/dbraw/zinc/35/92/50/1380359250.db2.gz VDKLWETYNTWQID-QZTJIDSGSA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001158078192 1381122155 /nfs/dbraw/zinc/12/21/55/1381122155.db2.gz LYOWNRWJEUBQPL-INIZCTEOSA-N 2 0 337.552 3.218 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328589330 1388785089 /nfs/dbraw/zinc/78/50/89/1388785089.db2.gz YWDSIIOXTJQXAN-HDICACEKSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCCC(C)C)CC[N@@H+]1C ZINC001328735844 1388834194 /nfs/dbraw/zinc/83/41/94/1388834194.db2.gz FRUQXSHVMHQRER-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001328752265 1388843955 /nfs/dbraw/zinc/84/39/55/1388843955.db2.gz HDBQXZIKVXQENG-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCCC(C)(C)C)C1 ZINC001328763401 1388846941 /nfs/dbraw/zinc/84/69/41/1388846941.db2.gz CQSNTPMQFHTCGU-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H]2Cc3cc(OC)ccc3O2)CC1 ZINC001307421330 1383986557 /nfs/dbraw/zinc/98/65/57/1383986557.db2.gz SNIVHXJRMKWXEY-FQEVSTJZSA-N 2 0 346.515 3.443 10 0 EGAERP c1cc(N2CCC[N@@H+](C[C@H]3CC4(CO3)CCCCC4)CC2)cc[nH+]1 ZINC001307875507 1384047759 /nfs/dbraw/zinc/04/77/59/1384047759.db2.gz NOMUFDSWMUCAQC-LJQANCHMSA-N 2 0 329.488 3.333 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316598094 1384464332 /nfs/dbraw/zinc/46/43/32/1384464332.db2.gz PDTNUXZFQOXXLG-GUDVDZBRSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001316634633 1384497013 /nfs/dbraw/zinc/49/70/13/1384497013.db2.gz KCHCJPRNEZDQCW-BJLQDIEVSA-N 2 0 347.547 3.234 10 0 EGAERP CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316679297 1384520234 /nfs/dbraw/zinc/52/02/34/1384520234.db2.gz AVYKBYKWZBMJJV-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001316704939 1384531100 /nfs/dbraw/zinc/53/11/00/1384531100.db2.gz VSUMOSHOISCCRA-NEWSRXKRSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001316807422 1384601319 /nfs/dbraw/zinc/60/13/19/1384601319.db2.gz WLVQKWVYVZIPES-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CCC(C[N@H+](C)CCCNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001316828889 1384622590 /nfs/dbraw/zinc/62/25/90/1384622590.db2.gz MILBMWYFGWYPLF-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CCCC1 ZINC001316835318 1384625920 /nfs/dbraw/zinc/62/59/20/1384625920.db2.gz NGMPUEBPIPASPP-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001316942379 1384713380 /nfs/dbraw/zinc/71/33/80/1384713380.db2.gz BRUVRZGZBNXRDO-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001316998356 1384755511 /nfs/dbraw/zinc/75/55/11/1384755511.db2.gz MQYRASXQRDRLMH-MOPGFXCFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317099422 1384862060 /nfs/dbraw/zinc/86/20/60/1384862060.db2.gz DFLZQYMLMVBSCT-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317173570 1384943325 /nfs/dbraw/zinc/94/33/25/1384943325.db2.gz OKSULHOWASEYEK-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317210240 1384988881 /nfs/dbraw/zinc/98/88/81/1384988881.db2.gz WKQPULDAGWPXIA-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCC([NH2+]CC=C(C)C)CC2)C1 ZINC001317220020 1385000577 /nfs/dbraw/zinc/00/05/77/1385000577.db2.gz DUMKFSPUFGVCCU-VIQWUECVSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317254374 1385024723 /nfs/dbraw/zinc/02/47/23/1385024723.db2.gz IWVSMOFWIXJSPQ-HKUYNNGSSA-N 2 0 345.531 3.279 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001317268839 1385038553 /nfs/dbraw/zinc/03/85/53/1385038553.db2.gz ACWWNZMOUFAYJE-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317340473 1385092410 /nfs/dbraw/zinc/09/24/10/1385092410.db2.gz LHXBYTMSIVEIFR-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317374154 1385106903 /nfs/dbraw/zinc/10/69/03/1385106903.db2.gz CHGYDFSBKQUXNL-SFHVURJKSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1C ZINC001317636905 1385367287 /nfs/dbraw/zinc/36/72/87/1385367287.db2.gz SINIUUWATOBDCW-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001317723099 1385423925 /nfs/dbraw/zinc/42/39/25/1385423925.db2.gz DFVBLVBOXPTNDH-XLIONFOSSA-N 2 0 345.531 3.212 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317842381 1385529128 /nfs/dbraw/zinc/52/91/28/1385529128.db2.gz PYSGCBAWXNUQPF-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)c1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001318337986 1385653904 /nfs/dbraw/zinc/65/39/04/1385653904.db2.gz LWWBGAVIZQULKG-UXHICEINSA-N 2 0 345.531 3.087 10 0 EGAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001698612175 1406242285 /nfs/dbraw/zinc/24/22/85/1406242285.db2.gz GFJNNSIZCACIJB-PKOBYXMFSA-N 2 0 345.531 3.136 10 0 EGAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001318485076 1385717355 /nfs/dbraw/zinc/71/73/55/1385717355.db2.gz ODHNFSHNAXGRGF-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001318543095 1385746113 /nfs/dbraw/zinc/74/61/13/1385746113.db2.gz WDYDFGFACBYVCO-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)C1 ZINC001318979090 1385907231 /nfs/dbraw/zinc/90/72/31/1385907231.db2.gz MLKGVIFMRKALCQ-VAMGGRTRSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001319197928 1386002362 /nfs/dbraw/zinc/00/23/62/1386002362.db2.gz QVGCIADAMRXSQI-FXAWDEMLSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250301 1386024833 /nfs/dbraw/zinc/02/48/33/1386024833.db2.gz KREQZIDWYLUHRW-WMZOPIPTSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001319251398 1386025797 /nfs/dbraw/zinc/02/57/97/1386025797.db2.gz SAFUFOQRRZBTGC-IRXDYDNUSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001319534753 1386165684 /nfs/dbraw/zinc/16/56/84/1386165684.db2.gz SOENUFJJFNLHRM-KRWDZBQOSA-N 2 0 345.531 3.031 10 0 EGAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC001319735412 1386273851 /nfs/dbraw/zinc/27/38/51/1386273851.db2.gz FHRRRRHFSQJHJK-QZTJIDSGSA-N 2 0 349.544 3.012 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001698638797 1406286001 /nfs/dbraw/zinc/28/60/01/1406286001.db2.gz KMFDJUANXOGQBQ-LJQANCHMSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319805590 1386305209 /nfs/dbraw/zinc/30/52/09/1386305209.db2.gz IGEXUZIPGQEBNY-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001319868265 1386346760 /nfs/dbraw/zinc/34/67/60/1386346760.db2.gz KCMBVOVQGNBVKF-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CCCC2)C1 ZINC001320112829 1386521617 /nfs/dbraw/zinc/52/16/17/1386521617.db2.gz WARAIECMYWSRTE-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001320168565 1386545325 /nfs/dbraw/zinc/54/53/25/1386545325.db2.gz DOBHENVASZOPST-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001698673919 1406322699 /nfs/dbraw/zinc/32/26/99/1406322699.db2.gz OQLZUTVPVKAXLK-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001698674687 1406323175 /nfs/dbraw/zinc/32/31/75/1406323175.db2.gz ROULXFDNEJLXAM-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321661763 1386952610 /nfs/dbraw/zinc/95/26/10/1386952610.db2.gz BOJCWTOJQXTBGO-QOLSVTOYSA-N 2 0 343.515 3.059 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001698683119 1406330579 /nfs/dbraw/zinc/33/05/79/1406330579.db2.gz ORVAATTZXZYYTN-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001321702949 1386961031 /nfs/dbraw/zinc/96/10/31/1386961031.db2.gz JFXHBYBPTLHYBQ-QGZVFWFLSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001322173498 1387087675 /nfs/dbraw/zinc/08/76/75/1387087675.db2.gz AMGYBSIKFSGAKX-CRAIPNDOSA-N 2 0 349.544 3.092 10 0 EGAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322273114 1387132882 /nfs/dbraw/zinc/13/28/82/1387132882.db2.gz CWQILXKFIZQHCK-QGZVFWFLSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl ZINC001329341961 1389068382 /nfs/dbraw/zinc/06/83/82/1389068382.db2.gz LFLFKHVUUANKSI-YHWKNFMLSA-N 2 0 343.943 3.076 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCCC1CCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001329356089 1389072818 /nfs/dbraw/zinc/07/28/18/1389072818.db2.gz HRJGGBIIIMINNE-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@H+]2C)CCCCC1 ZINC001329826345 1389232115 /nfs/dbraw/zinc/23/21/15/1389232115.db2.gz YMBYMLXMMGDUDE-SFHVURJKSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH2+]CC2CCCCC2)cc1 ZINC001698719772 1406364300 /nfs/dbraw/zinc/36/43/00/1406364300.db2.gz YARIESVRZWRMMN-UHFFFAOYSA-N 2 0 345.531 3.313 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001329860523 1389238072 /nfs/dbraw/zinc/23/80/72/1389238072.db2.gz DIZODLXFNSMVDE-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001329861003 1389238483 /nfs/dbraw/zinc/23/84/83/1389238483.db2.gz MFMJOVZLQSLNHS-OALUTQOASA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001330018243 1389286176 /nfs/dbraw/zinc/28/61/76/1389286176.db2.gz BLTHXTCFNLHMCS-MRXNPFEDSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330204838 1389339946 /nfs/dbraw/zinc/33/99/46/1389339946.db2.gz WTANCGQBEBKJDE-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC2CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001698723304 1406371153 /nfs/dbraw/zinc/37/11/53/1406371153.db2.gz QGCIXOKTXXENEI-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](c1ccccc1F)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001698725115 1406374408 /nfs/dbraw/zinc/37/44/08/1406374408.db2.gz SZYLZEFYIHZIKM-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001698729932 1406379867 /nfs/dbraw/zinc/37/98/67/1406379867.db2.gz IDKZIDIWYZCXGS-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001331028855 1389601761 /nfs/dbraw/zinc/60/17/61/1389601761.db2.gz BIECZUMOWQTYFT-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001331068310 1389617396 /nfs/dbraw/zinc/61/73/96/1389617396.db2.gz IDDGNZBNEGCLNA-PKOBYXMFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001331438979 1389749200 /nfs/dbraw/zinc/74/92/00/1389749200.db2.gz KVCNEOPRMBAGKI-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001331470003 1389761186 /nfs/dbraw/zinc/76/11/86/1389761186.db2.gz MALOWOHTWAPDTB-QGZVFWFLSA-N 2 0 345.531 3.231 10 0 EGAERP Fc1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC001331505956 1389774389 /nfs/dbraw/zinc/77/43/89/1389774389.db2.gz WJCGKKRGEOVGFT-UHFFFAOYSA-N 2 0 343.446 3.028 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644640 1389843766 /nfs/dbraw/zinc/84/37/66/1389843766.db2.gz PYTJYIITYUROLQ-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001332046827 1389956507 /nfs/dbraw/zinc/95/65/07/1389956507.db2.gz HWWBTAQAYUASFP-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001333003745 1390234433 /nfs/dbraw/zinc/23/44/33/1390234433.db2.gz FARAROXKKXNGSX-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001333128823 1390252981 /nfs/dbraw/zinc/25/29/81/1390252981.db2.gz MQAXXMHSXJZIKB-IPJUCJBFSA-N 2 0 337.552 3.266 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCC2)CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001698806889 1406488673 /nfs/dbraw/zinc/48/86/73/1406488673.db2.gz RLBPQSUAZNMKOY-FQEVSTJZSA-N 2 0 347.547 3.071 10 0 EGAERP COc1ccc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)c(F)c1OC ZINC001350320213 1391446885 /nfs/dbraw/zinc/44/68/85/1391446885.db2.gz XDFLAQZSAKJVNA-UHFFFAOYSA-N 2 0 336.451 3.151 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001479487284 1392254557 /nfs/dbraw/zinc/25/45/57/1392254557.db2.gz TYMNJDXSZRJXRZ-BBWFWOEESA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CCCC1)CC2 ZINC001479504102 1392259104 /nfs/dbraw/zinc/25/91/04/1392259104.db2.gz RKRWHBMEIFBZNX-SFHVURJKSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479526062 1392269645 /nfs/dbraw/zinc/26/96/45/1392269645.db2.gz FJFRZTDQDVPBGT-XOIGSVRCSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001479614950 1392288908 /nfs/dbraw/zinc/28/89/08/1392288908.db2.gz UGZCFHHDRJEOII-QRVBRYPASA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@H](C)CC(C)C)[NH+](C)C ZINC001479738035 1392350474 /nfs/dbraw/zinc/35/04/74/1392350474.db2.gz SXTAMZUMEWILRK-QYZOEREBSA-N 2 0 339.568 3.322 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479747361 1392364394 /nfs/dbraw/zinc/36/43/94/1392364394.db2.gz ZFQZYYVICURCBL-RJCMGOLDSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479831485 1392418123 /nfs/dbraw/zinc/41/81/23/1392418123.db2.gz NEVDDAAEKPTNIH-QZTJIDSGSA-N 2 0 325.541 3.122 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](CC)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001479853136 1392433016 /nfs/dbraw/zinc/43/30/16/1392433016.db2.gz CSYSAHBYNXZUPC-FQEVSTJZSA-N 2 0 345.531 3.308 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[N@H+](CC2CCCCC2)C2CC2)CCC1 ZINC001479871577 1392448171 /nfs/dbraw/zinc/44/81/71/1392448171.db2.gz NQQGLDHDSAVSIP-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001479904154 1392471078 /nfs/dbraw/zinc/47/10/78/1392471078.db2.gz WKBYQZWRPJXZFH-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480188616 1392618239 /nfs/dbraw/zinc/61/82/39/1392618239.db2.gz WNDLONPBFCKYMZ-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001480222795 1392626499 /nfs/dbraw/zinc/62/64/99/1392626499.db2.gz OFZKHBSLPKLCHH-IJXRJRJASA-N 2 0 345.531 3.413 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001480222794 1392626769 /nfs/dbraw/zinc/62/67/69/1392626769.db2.gz OFZKHBSLPKLCHH-FFGOWVMKSA-N 2 0 345.531 3.413 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480265758 1392650435 /nfs/dbraw/zinc/65/04/35/1392650435.db2.gz RCZKLWOFMYUZOB-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480276493 1392656839 /nfs/dbraw/zinc/65/68/39/1392656839.db2.gz MAIYCUMUGRPWSP-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480291197 1392661879 /nfs/dbraw/zinc/66/18/79/1392661879.db2.gz FARIVANUEWWIRA-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001480328229 1392687366 /nfs/dbraw/zinc/68/73/66/1392687366.db2.gz PGWFSBRMJOGJBR-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001480357153 1392703276 /nfs/dbraw/zinc/70/32/76/1392703276.db2.gz NZRUCKCDXACQCR-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001480374786 1392717806 /nfs/dbraw/zinc/71/78/06/1392717806.db2.gz WXTDZWLJTDIWIE-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001480463766 1392760547 /nfs/dbraw/zinc/76/05/47/1392760547.db2.gz HLYIOHKGTHHYLH-LSTHTHJFSA-N 2 0 345.531 3.135 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001480649235 1392835669 /nfs/dbraw/zinc/83/56/69/1392835669.db2.gz SWAFUXYLHWYUNJ-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001480662734 1392841199 /nfs/dbraw/zinc/84/11/99/1392841199.db2.gz YODOFBHUNPUVPA-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP C[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001480667447 1392844025 /nfs/dbraw/zinc/84/40/25/1392844025.db2.gz HYGADAYRWQQRRL-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480710506 1392872842 /nfs/dbraw/zinc/87/28/42/1392872842.db2.gz RALNPMQMLZVJQS-MOPGFXCFSA-N 2 0 345.531 3.161 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001480727367 1392888780 /nfs/dbraw/zinc/88/87/80/1392888780.db2.gz VBCQMEGMMSSPGS-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+]1CCCCC1 ZINC001481039274 1393103453 /nfs/dbraw/zinc/10/34/53/1393103453.db2.gz LBRWQDIUSNGXOQ-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001481056560 1393108415 /nfs/dbraw/zinc/10/84/15/1393108415.db2.gz RGWIROISLRMLQJ-IBGZPJMESA-N 2 0 345.531 3.016 10 0 EGAERP C[C@H]([NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001481278807 1393157210 /nfs/dbraw/zinc/15/72/10/1393157210.db2.gz ABKWNIXJJGSQFT-OXJNMPFZSA-N 2 0 349.494 3.008 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001481287403 1393158656 /nfs/dbraw/zinc/15/86/56/1393158656.db2.gz WWDTURDCPRIJOL-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCC1 ZINC001490355208 1393179287 /nfs/dbraw/zinc/17/92/87/1393179287.db2.gz GSARRJNDVXBMCD-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001481358743 1393181088 /nfs/dbraw/zinc/18/10/88/1393181088.db2.gz XTVWNYROWDGASB-UXHICEINSA-N 2 0 345.531 3.307 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698928854 1406665336 /nfs/dbraw/zinc/66/53/36/1406665336.db2.gz MXDMWPSWWQSJHH-JNVNVXKGSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938770 1406679073 /nfs/dbraw/zinc/67/90/73/1406679073.db2.gz NWZIDNXJZMUBHK-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC=C(C)C)c2ccccc2)CC[N@@H+]1C ZINC001481367311 1394207275 /nfs/dbraw/zinc/20/72/75/1394207275.db2.gz PXCPIXLKWDLAFV-SLFFLAALSA-N 2 0 343.515 3.130 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001490383874 1394210923 /nfs/dbraw/zinc/21/09/23/1394210923.db2.gz RSYPYUXTQDJIBI-PXNSSMCTSA-N 2 0 343.515 3.203 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001481399995 1394247484 /nfs/dbraw/zinc/24/74/84/1394247484.db2.gz CKNVKNOXURMUJO-RTBURBONSA-N 2 0 349.563 3.220 10 0 EGAERP CCCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481409163 1394266198 /nfs/dbraw/zinc/26/61/98/1394266198.db2.gz JEJGOAZTQCVMLF-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001698949703 1406689574 /nfs/dbraw/zinc/68/95/74/1406689574.db2.gz JLGIDTQXKRVLEY-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1cccc(Cl)c1 ZINC001491025650 1394399495 /nfs/dbraw/zinc/39/94/95/1394399495.db2.gz KSGHYWYISWYERA-RRQGHBQHSA-N 2 0 349.906 3.122 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481539525 1394402970 /nfs/dbraw/zinc/40/29/70/1394402970.db2.gz VJYWKVISBDVWHI-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001491053155 1394413795 /nfs/dbraw/zinc/41/37/95/1394413795.db2.gz MTWCKQPTURQJPF-ZCNNSNEGSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@H]([NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001491370702 1394513842 /nfs/dbraw/zinc/51/38/42/1394513842.db2.gz XFJFCQPJSPAWDL-MHJFOBGBSA-N 2 0 345.531 3.495 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001481777405 1394522139 /nfs/dbraw/zinc/52/21/39/1394522139.db2.gz IAYWORIOSVEWMS-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001491681281 1394525415 /nfs/dbraw/zinc/52/54/15/1394525415.db2.gz CVJKBFFWMDQPLN-DLBZAZTESA-N 2 0 341.499 3.335 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001491818185 1394536046 /nfs/dbraw/zinc/53/60/46/1394536046.db2.gz ZIXUXWMRYQDQIY-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001482026050 1394683812 /nfs/dbraw/zinc/68/38/12/1394683812.db2.gz FJHRTLSLFVUOGD-CADBVGFASA-N 2 0 335.536 3.090 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001482137928 1394765322 /nfs/dbraw/zinc/76/53/22/1394765322.db2.gz SXFUQFADDQTEMV-FUHWJXTLSA-N 2 0 345.531 3.048 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001482223822 1394817250 /nfs/dbraw/zinc/81/72/50/1394817250.db2.gz ZGEHLDALFNQVMV-UHFFFAOYSA-N 2 0 340.471 3.241 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001482302879 1394879087 /nfs/dbraw/zinc/87/90/87/1394879087.db2.gz RDMWQZCSYDKUJQ-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482369502 1394932068 /nfs/dbraw/zinc/93/20/68/1394932068.db2.gz YJELMWSYPCJPKG-INIZCTEOSA-N 2 0 333.520 3.235 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001482385768 1394947289 /nfs/dbraw/zinc/94/72/89/1394947289.db2.gz BESGAINECUQWII-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001482437627 1394998603 /nfs/dbraw/zinc/99/86/03/1394998603.db2.gz PXRXCUXPEMEFFR-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC3CCC(C)CC3)C2)C1 ZINC001483847576 1395114184 /nfs/dbraw/zinc/11/41/84/1395114184.db2.gz NAVINEHLZXGQQT-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001483938438 1395152897 /nfs/dbraw/zinc/15/28/97/1395152897.db2.gz WFLALSXLJGMOMO-MJGOQNOKSA-N 2 0 345.531 3.031 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001483958116 1395162808 /nfs/dbraw/zinc/16/28/08/1395162808.db2.gz FYDNRMDQVFFIIW-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001484138645 1395275420 /nfs/dbraw/zinc/27/54/20/1395275420.db2.gz ICAVABFSXYNKPK-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001484398121 1395368254 /nfs/dbraw/zinc/36/82/54/1395368254.db2.gz WLLJBUHOJOJFBO-UFYCRDLUSA-N 2 0 349.563 3.031 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484463560 1395397630 /nfs/dbraw/zinc/39/76/30/1395397630.db2.gz HKFIPZBDOXUNPI-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484814408 1395548397 /nfs/dbraw/zinc/54/83/97/1395548397.db2.gz HJRJGCIKUBGDLU-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001484816903 1395551709 /nfs/dbraw/zinc/55/17/09/1395551709.db2.gz SEELEGHWWRVJKZ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819645 1395553660 /nfs/dbraw/zinc/55/36/60/1395553660.db2.gz SHFIYQLVHHVYMN-MJRGOJFPSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001484832673 1395570210 /nfs/dbraw/zinc/57/02/10/1395570210.db2.gz XZQYGEYCVJOYHC-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001484927108 1395594931 /nfs/dbraw/zinc/59/49/31/1395594931.db2.gz MUSKWOKLSUVOSH-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218220 1395713659 /nfs/dbraw/zinc/71/36/59/1395713659.db2.gz VVSWNIUICBWTPZ-IRXDYDNUSA-N 2 0 347.547 3.309 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571793 1396037432 /nfs/dbraw/zinc/03/74/32/1396037432.db2.gz NWEMJBFKBZEEKU-SJLPKXTDSA-N 2 0 343.515 3.059 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccccc2C)CC1(C)C ZINC001485579285 1396051222 /nfs/dbraw/zinc/05/12/22/1396051222.db2.gz KCFYTBWFWAULMV-HKUYNNGSSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001485761746 1396138724 /nfs/dbraw/zinc/13/87/24/1396138724.db2.gz ZUFCOUWAMQCTHP-VOTSOKGWSA-N 2 0 335.536 3.140 10 0 EGAERP C[NH+](CC1=CCCCC1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001485763405 1396139330 /nfs/dbraw/zinc/13/93/30/1396139330.db2.gz NVFDFJGCGIDLGS-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930738 1396170315 /nfs/dbraw/zinc/17/03/15/1396170315.db2.gz XQQSKQAIUYWFKK-FUHWJXTLSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001485960661 1396174119 /nfs/dbraw/zinc/17/41/19/1396174119.db2.gz JVBNCDZJNJTICT-HKUYNNGSSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001485961062 1396174143 /nfs/dbraw/zinc/17/41/43/1396174143.db2.gz QAAMXKHCJGXBJO-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CCC1=CCCCC1 ZINC001485961925 1396174277 /nfs/dbraw/zinc/17/42/77/1396174277.db2.gz VCVLEMNOWRMGFJ-GOSISDBHSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001486123721 1396178783 /nfs/dbraw/zinc/17/87/83/1396178783.db2.gz GXJORWLZQXRPEM-SJORKVTESA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC/C=C\c1ccccc1 ZINC001499955685 1396185152 /nfs/dbraw/zinc/18/51/52/1396185152.db2.gz WMQYTWGIXRZNJR-SUJSUNJESA-N 2 0 343.515 3.011 10 0 EGAERP CC[NH+](CC1CCCC1)CC1CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001505400430 1396287776 /nfs/dbraw/zinc/28/77/76/1396287776.db2.gz PGRSLKPKUAHZDM-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001492178931 1396313270 /nfs/dbraw/zinc/31/32/70/1396313270.db2.gz SJUIGRPLUNRIPH-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)Cc1c(C)c(C)c(C)c(C)c1C ZINC001493010848 1396331979 /nfs/dbraw/zinc/33/19/79/1396331979.db2.gz WCLATYUZHBVKFH-UHFFFAOYSA-N 2 0 347.547 3.119 10 0 EGAERP CC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)CC1=CCCCC1 ZINC001493033914 1396333418 /nfs/dbraw/zinc/33/34/18/1396333418.db2.gz SWOWSPCHRNBLKP-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP CCCN(C(=O)CCc1nccn1C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001493962779 1396345866 /nfs/dbraw/zinc/34/58/66/1396345866.db2.gz CMLNFSOFKGHRSQ-KRWDZBQOSA-N 2 0 348.535 3.102 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495168597 1396521642 /nfs/dbraw/zinc/52/16/42/1396521642.db2.gz NQBPDHLHXODZSC-MOPGFXCFSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001496312330 1396643819 /nfs/dbraw/zinc/64/38/19/1396643819.db2.gz PKFQZMCPDFXNTJ-UXHICEINSA-N 2 0 349.563 3.457 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C2CCCCC2)C1 ZINC001496326984 1396651810 /nfs/dbraw/zinc/65/18/10/1396651810.db2.gz RHXIQPBUTMPRIR-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001496369373 1396671866 /nfs/dbraw/zinc/67/18/66/1396671866.db2.gz KIYWBYCMOMIGNU-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001496397005 1396687212 /nfs/dbraw/zinc/68/72/12/1396687212.db2.gz VIXNQEPMYXZPDU-BHIYHBOVSA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001496406033 1396693333 /nfs/dbraw/zinc/69/33/33/1396693333.db2.gz GLPFXOQXERVUOQ-KRWDZBQOSA-N 2 0 342.487 3.417 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497255803 1396739427 /nfs/dbraw/zinc/73/94/27/1396739427.db2.gz NNQGVKPNUZDXSX-FHWLQOOXSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1=CCCCC1 ZINC001497690542 1396785017 /nfs/dbraw/zinc/78/50/17/1396785017.db2.gz GWTLCQOFXHGDNL-IHHMQQGQSA-N 2 0 333.520 3.012 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001689198060 1396968576 /nfs/dbraw/zinc/96/85/76/1396968576.db2.gz NPZZIUKUPLJZRP-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001689267924 1396999382 /nfs/dbraw/zinc/99/93/82/1396999382.db2.gz UEXWKKKPYVNYOX-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001689270229 1397002281 /nfs/dbraw/zinc/00/22/81/1397002281.db2.gz KCGGLOQDTZSYIM-FBQMEGEOSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699029165 1406866400 /nfs/dbraw/zinc/86/64/00/1406866400.db2.gz NNWWROKDHZHCCE-MOPGFXCFSA-N 2 0 349.563 3.339 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001689909191 1404201702 /nfs/dbraw/zinc/20/17/02/1404201702.db2.gz LXTUGBOWKFKTTC-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001690012383 1404254829 /nfs/dbraw/zinc/25/48/29/1404254829.db2.gz AZJFOMZLLIYUMG-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001690029945 1404269006 /nfs/dbraw/zinc/26/90/06/1404269006.db2.gz OLINGPNMCLPICJ-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690051792 1404285475 /nfs/dbraw/zinc/28/54/75/1404285475.db2.gz TYJPOOOOKUMIAC-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001690122739 1404316180 /nfs/dbraw/zinc/31/61/80/1404316180.db2.gz ARBILECYAPDYIA-RBUKOAKNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690414395 1404546345 /nfs/dbraw/zinc/54/63/45/1404546345.db2.gz XKDWBBOMISZWJB-VZSQWMKGSA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001690420307 1404549255 /nfs/dbraw/zinc/54/92/55/1404549255.db2.gz COWIAPMUOKADBV-IBGZPJMESA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001690457370 1404586111 /nfs/dbraw/zinc/58/61/11/1404586111.db2.gz LLKBDCVQUMEFBE-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690502577 1404616082 /nfs/dbraw/zinc/61/60/82/1404616082.db2.gz ZWZBUOFBRSNBAE-KAGICYHLSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001690540406 1404626987 /nfs/dbraw/zinc/62/69/87/1404626987.db2.gz MNUFWUUENDLBHH-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690741699 1404704496 /nfs/dbraw/zinc/70/44/96/1404704496.db2.gz WOQDPQROVXWGNY-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001690784842 1404732092 /nfs/dbraw/zinc/73/20/92/1404732092.db2.gz NIOZTEOOOQCTCO-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001690858289 1404780763 /nfs/dbraw/zinc/78/07/63/1404780763.db2.gz WAAWLCUUYVLQDN-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725409295 1426054847 /nfs/dbraw/zinc/05/48/47/1426054847.db2.gz LBLXGMCTKPVKSB-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CC2(CCC2)C1 ZINC001691048261 1404961342 /nfs/dbraw/zinc/96/13/42/1404961342.db2.gz VLYDHTXMGZHHSW-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691172909 1405109203 /nfs/dbraw/zinc/10/92/03/1405109203.db2.gz VWHWAVAHPQWFTG-MISYRCLQSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001691184629 1405122869 /nfs/dbraw/zinc/12/28/69/1405122869.db2.gz UBEPKGLLASRPSJ-IYARVYRRSA-N 2 0 337.552 3.173 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691258610 1405183064 /nfs/dbraw/zinc/18/30/64/1405183064.db2.gz HMMOVJBMGYREPN-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001691263030 1405184525 /nfs/dbraw/zinc/18/45/25/1405184525.db2.gz AURQHUPNFIOYGJ-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001691306529 1405200085 /nfs/dbraw/zinc/20/00/85/1405200085.db2.gz VDKVKLMRKHCADS-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001691416909 1405255809 /nfs/dbraw/zinc/25/58/09/1405255809.db2.gz QWYKKWOLHIEBPY-UXHICEINSA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)CCC ZINC001691429084 1405263028 /nfs/dbraw/zinc/26/30/28/1405263028.db2.gz UTYFDMKUKQFKQJ-YFNPGVAHSA-N 2 0 349.563 3.290 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001691621156 1405361825 /nfs/dbraw/zinc/36/18/25/1405361825.db2.gz SVUMIRXIRTTWNU-QZTJIDSGSA-N 2 0 343.531 3.073 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001691636357 1405371894 /nfs/dbraw/zinc/37/18/94/1405371894.db2.gz FEVGFPHINGNVDS-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691691108 1405425623 /nfs/dbraw/zinc/42/56/23/1405425623.db2.gz YIGFINJGLHTFKD-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCCC1CCC1 ZINC001691738089 1405460355 /nfs/dbraw/zinc/46/03/55/1405460355.db2.gz HJXINHQYSQVCCM-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001691784425 1405492910 /nfs/dbraw/zinc/49/29/10/1405492910.db2.gz ASUQTEBIWPCEJM-CKHBTRQNSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001691796762 1405508158 /nfs/dbraw/zinc/50/81/58/1405508158.db2.gz NMBGNRSTZMTOLO-IEBWSBKVSA-N 2 0 331.504 3.108 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001691823867 1405539962 /nfs/dbraw/zinc/53/99/62/1405539962.db2.gz ZDUAJMGDLVSECU-GOSISDBHSA-N 2 0 339.568 3.370 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001691965805 1405682905 /nfs/dbraw/zinc/68/29/05/1405682905.db2.gz UWJFTQJYGBPRLA-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692330035 1405948534 /nfs/dbraw/zinc/94/85/34/1405948534.db2.gz SRNOGFNUFTXLTE-MNVMYWNISA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)(C)CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001731878198 1428145793 /nfs/dbraw/zinc/14/57/93/1428145793.db2.gz VFVANKJPUCSKKC-QZTJIDSGSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC(C)(C)C)[NH+](CC)CC ZINC001692376170 1405982109 /nfs/dbraw/zinc/98/21/09/1405982109.db2.gz GLXZZKSUJVMRJO-OKZBNKHCSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692384216 1405990165 /nfs/dbraw/zinc/99/01/65/1405990165.db2.gz DECHHNOEFWQGRT-XHHZUUQWSA-N 2 0 341.499 3.003 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001698562256 1406163102 /nfs/dbraw/zinc/16/31/02/1406163102.db2.gz ITMLAUUEOAAWFS-WMZOPIPTSA-N 2 0 337.552 3.218 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC001732027375 1428246099 /nfs/dbraw/zinc/24/60/99/1428246099.db2.gz SAGSCWKPPVIQAA-FQEVSTJZSA-N 2 0 343.515 3.110 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732050827 1428290364 /nfs/dbraw/zinc/29/03/64/1428290364.db2.gz YWVVJWWBRYFQLM-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732170626 1428414712 /nfs/dbraw/zinc/41/47/12/1428414712.db2.gz OKVASTQPQGMOOS-AQWUKCDYSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732174214 1428419233 /nfs/dbraw/zinc/41/92/33/1428419233.db2.gz ANOFSUVYSFBEJZ-PHWHVTFISA-N 2 0 335.536 3.142 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001732175659 1428421442 /nfs/dbraw/zinc/42/14/42/1428421442.db2.gz KHZGMOBIEJZGLR-SOAGJPPSSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001732230879 1428477801 /nfs/dbraw/zinc/47/78/01/1428477801.db2.gz MCWTZFNYHUFPNO-MSOLQXFVSA-N 2 0 335.536 3.212 10 0 EGAERP CCC[NH2+]C[C@]1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC[C@H]1C ZINC001732258591 1428499330 /nfs/dbraw/zinc/49/93/30/1428499330.db2.gz OSLATKFGGLPPKO-FOIQADDNSA-N 2 0 342.487 3.321 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732287224 1428514959 /nfs/dbraw/zinc/51/49/59/1428514959.db2.gz VNRRHDLNWBLHEN-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001732302372 1428520005 /nfs/dbraw/zinc/52/00/05/1428520005.db2.gz FNRPSBAXDGHXFX-SHTLVRLNSA-N 2 0 347.547 3.047 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001732310740 1428524156 /nfs/dbraw/zinc/52/41/56/1428524156.db2.gz HPAKXVIDOGHNOG-IYARVYRRSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001732396571 1428563946 /nfs/dbraw/zinc/56/39/46/1428563946.db2.gz DBZFPZWZEXFAMN-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732423892 1428575260 /nfs/dbraw/zinc/57/52/60/1428575260.db2.gz APTVQNSSRGZNJT-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC001732435929 1428579649 /nfs/dbraw/zinc/57/96/49/1428579649.db2.gz KGLVQRYBAZRIPX-YOEHRIQHSA-N 2 0 339.911 3.179 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001732444148 1428583717 /nfs/dbraw/zinc/58/37/17/1428583717.db2.gz YYMXCBQABXDYTI-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732459932 1428592199 /nfs/dbraw/zinc/59/21/99/1428592199.db2.gz NCPNCGDIHRNQKR-QZTJIDSGSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001732468072 1428597373 /nfs/dbraw/zinc/59/73/73/1428597373.db2.gz HONGJNRJZFIMNQ-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001732516478 1428636014 /nfs/dbraw/zinc/63/60/14/1428636014.db2.gz YRKVNPGBFPQPHZ-SFHVURJKSA-N 2 0 337.552 3.291 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001732520416 1428638825 /nfs/dbraw/zinc/63/88/25/1428638825.db2.gz YSKSWURHEBEWPR-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732522997 1428641898 /nfs/dbraw/zinc/64/18/98/1428641898.db2.gz DMFFKDATLOBDSS-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C)CC[N@@H+]1C ZINC001699102087 1412510702 /nfs/dbraw/zinc/51/07/02/1412510702.db2.gz GWZVNZUBMBHMCY-IXDOHACOSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](CC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699127748 1412523304 /nfs/dbraw/zinc/52/33/04/1412523304.db2.gz GXZVEQWMXUHTMW-LNLFQRSKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141360 1412531733 /nfs/dbraw/zinc/53/17/33/1412531733.db2.gz UVAADUDZUYPNQI-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699197277 1412567532 /nfs/dbraw/zinc/56/75/32/1412567532.db2.gz HQSXPRZWJBVHIT-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@H]([NH2+]CCN(CC)C(=O)C(C)(C)c1cnc[nH]1)c1ccccc1 ZINC001699214901 1412579949 /nfs/dbraw/zinc/57/99/49/1412579949.db2.gz VDVAZGUWFKSTIR-KRWDZBQOSA-N 2 0 342.487 3.277 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001699387788 1412700844 /nfs/dbraw/zinc/70/08/44/1412700844.db2.gz HNOYNOCCBMOQNP-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405704 1412718418 /nfs/dbraw/zinc/71/84/18/1412718418.db2.gz HHJAZMKYLJZGLP-QFBILLFUSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001699456527 1412801016 /nfs/dbraw/zinc/80/10/16/1412801016.db2.gz XTRWSQWPMJLGNU-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001699474964 1412867257 /nfs/dbraw/zinc/86/72/57/1412867257.db2.gz ZOKLBPXOVVCIGL-CABCVRRESA-N 2 0 339.911 3.178 10 0 EGAERP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC(C)C ZINC001699610852 1412974930 /nfs/dbraw/zinc/97/49/30/1412974930.db2.gz UJTPYROLLAPIBG-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]2CCC[C@@H](C1)N2CC=C(C)C)[NH+](CC)CC ZINC001699690702 1413095552 /nfs/dbraw/zinc/09/55/52/1413095552.db2.gz JHSLVHRDCDDSRF-OTWHNJEPSA-N 2 0 335.536 3.138 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCC1 ZINC001699692710 1413098434 /nfs/dbraw/zinc/09/84/34/1413098434.db2.gz NFEUJOHPSOBJNN-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001699731202 1413143670 /nfs/dbraw/zinc/14/36/70/1413143670.db2.gz CMYZNSBACZBOFC-GDBMZVCRSA-N 2 0 328.460 3.026 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001699771217 1413177563 /nfs/dbraw/zinc/17/75/63/1413177563.db2.gz SKRULNJZDQHTRI-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC001699800105 1413211010 /nfs/dbraw/zinc/21/10/10/1413211010.db2.gz QPZIGLKRIOWMME-XLIONFOSSA-N 2 0 345.531 3.352 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699825556 1413251316 /nfs/dbraw/zinc/25/13/16/1413251316.db2.gz NSUOHYQVPZUHCW-RRFGBZISSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001699836673 1413265287 /nfs/dbraw/zinc/26/52/87/1413265287.db2.gz JVRZMIXWNHFNIQ-QFUCXCTJSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001699867272 1413307415 /nfs/dbraw/zinc/30/74/15/1413307415.db2.gz WBPAQYMPWPISNQ-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699939960 1413383441 /nfs/dbraw/zinc/38/34/41/1413383441.db2.gz HQMNIRGGBBSBFV-FUHWJXTLSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943756 1413387283 /nfs/dbraw/zinc/38/72/83/1413387283.db2.gz KAXSIXBGCMBZEM-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001700017011 1413463369 /nfs/dbraw/zinc/46/33/69/1413463369.db2.gz LYNNCJKIHVBFOA-RBUKOAKNSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077661 1413491680 /nfs/dbraw/zinc/49/16/80/1413491680.db2.gz JVHSPCSYBCGTTG-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001700094170 1413508784 /nfs/dbraw/zinc/50/87/84/1413508784.db2.gz GTVGOULFCPSPLY-APWZRJJASA-N 2 0 331.504 3.236 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001732554742 1428741775 /nfs/dbraw/zinc/74/17/75/1428741775.db2.gz JMIHCFWNIOLEAC-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001700216823 1413660263 /nfs/dbraw/zinc/66/02/63/1413660263.db2.gz IOFFRNWHDTZXLL-LKGOPFMKSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001700220708 1413667003 /nfs/dbraw/zinc/66/70/03/1413667003.db2.gz QUNYEGSKBHNHMH-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001700226606 1413679222 /nfs/dbraw/zinc/67/92/22/1413679222.db2.gz JQVQCRVUBOWSEF-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC2CC2)CC1(C)C ZINC001700292808 1413748226 /nfs/dbraw/zinc/74/82/26/1413748226.db2.gz VGVAGXSTQODEEZ-GOSISDBHSA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C/CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700372984 1413900877 /nfs/dbraw/zinc/90/08/77/1413900877.db2.gz BQHNFRLBHPUKEF-AATRIKPKSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001700401199 1413936181 /nfs/dbraw/zinc/93/61/81/1413936181.db2.gz QWYCRIYZFVNWGX-ZIAGYGMSSA-N 2 0 339.549 3.342 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001700431837 1413994295 /nfs/dbraw/zinc/99/42/95/1413994295.db2.gz SNRKORMQDMOFLQ-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700434104 1413999019 /nfs/dbraw/zinc/99/90/19/1413999019.db2.gz DSDIQKLKLPEOLE-MHJFOBGBSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700437218 1414005258 /nfs/dbraw/zinc/00/52/58/1414005258.db2.gz BHVTZOPOOOLOBH-ACBHZAAOSA-N 2 0 337.552 3.122 10 0 EGAERP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)CC1=CCCCC1 ZINC001700460055 1414056080 /nfs/dbraw/zinc/05/60/80/1414056080.db2.gz KIMSDAZYVJFMES-HNNXBMFYSA-N 2 0 349.544 3.360 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCC1CCCC1 ZINC001700463329 1414065235 /nfs/dbraw/zinc/06/52/35/1414065235.db2.gz GMSXMLVIDGGXBE-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001700620442 1414289536 /nfs/dbraw/zinc/28/95/36/1414289536.db2.gz WJGWXJDXLAUVJV-BQYQJAHWSA-N 2 0 349.563 3.245 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001700621345 1414291594 /nfs/dbraw/zinc/29/15/94/1414291594.db2.gz RREDVWLOYJNPLE-ZMBJWTFHSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001700643181 1414308870 /nfs/dbraw/zinc/30/88/70/1414308870.db2.gz FHOMPXCVWJLUTJ-FHWLQOOXSA-N 2 0 349.563 3.027 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001700674819 1414330277 /nfs/dbraw/zinc/33/02/77/1414330277.db2.gz XVSXDDTUSVSADB-GOSISDBHSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700853570 1414501003 /nfs/dbraw/zinc/50/10/03/1414501003.db2.gz KEVHFRFVDADFMQ-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001700864249 1414514945 /nfs/dbraw/zinc/51/49/45/1414514945.db2.gz DZNAAWRXWSAOAL-OPYAIIAOSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001700889898 1414549013 /nfs/dbraw/zinc/54/90/13/1414549013.db2.gz UMVOENOHFIVTQL-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905741 1414560896 /nfs/dbraw/zinc/56/08/96/1414560896.db2.gz VGHQUOZGTYQUNS-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001700909110 1414563837 /nfs/dbraw/zinc/56/38/37/1414563837.db2.gz BXRSOYNRNRVCHB-RBUKOAKNSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)CC[NH+]1CCCCC1 ZINC001700981663 1414621655 /nfs/dbraw/zinc/62/16/55/1414621655.db2.gz VPJLLYIGHNIIFA-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001700995549 1414643211 /nfs/dbraw/zinc/64/32/11/1414643211.db2.gz QZEDLIBTKPMEAP-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001732621931 1428885364 /nfs/dbraw/zinc/88/53/64/1428885364.db2.gz HNVMXOVAFKURKS-MOPGFXCFSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H](CC[NH2+]CCC1=CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732705698 1428918442 /nfs/dbraw/zinc/91/84/42/1428918442.db2.gz GLNGFQUJQSXOMS-SFHVURJKSA-N 2 0 347.547 3.237 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccc(C)c2)C1 ZINC001732719578 1428925962 /nfs/dbraw/zinc/92/59/62/1428925962.db2.gz MKSZTAAQUVEQOX-QUCCMNQESA-N 2 0 345.531 3.101 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732743704 1428941611 /nfs/dbraw/zinc/94/16/11/1428941611.db2.gz XMUDCQDYYYIMJN-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733007183 1429127232 /nfs/dbraw/zinc/12/72/32/1429127232.db2.gz FMDSRKCXXGLQBD-INIZCTEOSA-N 2 0 343.515 3.033 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001707065430 1417180423 /nfs/dbraw/zinc/18/04/23/1417180423.db2.gz XKLZVIZLKVTWGF-ZIFCJYIRSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC ZINC001707183125 1417233654 /nfs/dbraw/zinc/23/36/54/1417233654.db2.gz SDYWTIFVMZBSAC-YRPNKDGESA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001707203884 1417243464 /nfs/dbraw/zinc/24/34/64/1417243464.db2.gz NFCZYLMLSTXTTI-BKFNIVOESA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001707235018 1417256107 /nfs/dbraw/zinc/25/61/07/1417256107.db2.gz PPZMYZNEZWZOOG-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC(C)C)CC(C)(C)C1)[NH+](CC)CC ZINC001707282437 1417293254 /nfs/dbraw/zinc/29/32/54/1417293254.db2.gz XLDVGXOMYQHMKV-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)CC2=CCCCC2)C1 ZINC001707399808 1417314097 /nfs/dbraw/zinc/31/40/97/1417314097.db2.gz IUZWIBOUIKKPOS-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001707419228 1417327186 /nfs/dbraw/zinc/32/71/86/1417327186.db2.gz XUSMTUVNJLGYAR-VQIMIIECSA-N 2 0 349.494 3.057 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001712990935 1417542542 /nfs/dbraw/zinc/54/25/42/1417542542.db2.gz KCAULSNWDXLGPU-HKUYNNGSSA-N 2 0 331.504 3.060 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](C(C)C)CC[C@H]21 ZINC001713182510 1417756791 /nfs/dbraw/zinc/75/67/91/1417756791.db2.gz OGGMSIPEKKBRDR-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP O=C(N1CCC[C@H](C[NH2+]CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001713234882 1417821410 /nfs/dbraw/zinc/82/14/10/1417821410.db2.gz XEPROZXUTCRQQE-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001713253951 1417849262 /nfs/dbraw/zinc/84/92/62/1417849262.db2.gz WNFGTANWUHEUDX-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001713257724 1417861394 /nfs/dbraw/zinc/86/13/94/1417861394.db2.gz ISHLQYPPTQALQO-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713268941 1417878163 /nfs/dbraw/zinc/87/81/63/1417878163.db2.gz MNNBTALUXACILH-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713398958 1418018429 /nfs/dbraw/zinc/01/84/29/1418018429.db2.gz BNFLUDKJNNHSPK-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCCC(C)(C)C)C1 ZINC001713400174 1418021738 /nfs/dbraw/zinc/02/17/38/1418021738.db2.gz BPIASALVIYZKGJ-QGZVFWFLSA-N 2 0 325.541 3.076 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001713434791 1418064471 /nfs/dbraw/zinc/06/44/71/1418064471.db2.gz IVTHQAQDBQRQJK-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC1CCCCC1 ZINC001713455482 1418107027 /nfs/dbraw/zinc/10/70/27/1418107027.db2.gz BWGYUUYTSXDKCL-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001713514188 1418247468 /nfs/dbraw/zinc/24/74/68/1418247468.db2.gz VSPZAFHXIXHOSV-PXNSSMCTSA-N 2 0 345.531 3.403 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001713517021 1418253328 /nfs/dbraw/zinc/25/33/28/1418253328.db2.gz BAIWKZCRIXUSGM-HKUYNNGSSA-N 2 0 331.504 3.060 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713531303 1418279321 /nfs/dbraw/zinc/27/93/21/1418279321.db2.gz XKXQVUFJSSYRHJ-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCC1CCCCC1 ZINC001713548207 1418322766 /nfs/dbraw/zinc/32/27/66/1418322766.db2.gz ZEVODRLWUNTBKL-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC001733121641 1429250920 /nfs/dbraw/zinc/25/09/20/1429250920.db2.gz IUOLXQGOXMOMBV-JZXOWHBKSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001713561287 1418361618 /nfs/dbraw/zinc/36/16/18/1418361618.db2.gz LRRFMYGSIPIKPH-HXUWFJFHSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697612 1418452981 /nfs/dbraw/zinc/45/29/81/1418452981.db2.gz ICPIDUUTQPDOEM-YLJYHZDGSA-N 2 0 345.531 3.307 10 0 EGAERP C[C@@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)[NH+]1CCCCCC1 ZINC001713705048 1418464895 /nfs/dbraw/zinc/46/48/95/1418464895.db2.gz QJSPMXYHIYEOAO-PXNSSMCTSA-N 2 0 343.515 3.108 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001713721980 1418496053 /nfs/dbraw/zinc/49/60/53/1418496053.db2.gz CJZBFAHRILZSLB-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001713749862 1418550808 /nfs/dbraw/zinc/55/08/08/1418550808.db2.gz NLLAHZVIQNLZTI-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713758326 1418564483 /nfs/dbraw/zinc/56/44/83/1418564483.db2.gz RGIKQVAUEJEAMB-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001713794421 1418613610 /nfs/dbraw/zinc/61/36/10/1418613610.db2.gz SLJMFKKYDFLPCV-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001713849220 1418645509 /nfs/dbraw/zinc/64/55/09/1418645509.db2.gz FCCFDQMIIBOYFX-UEKDZROGSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001713850512 1418646301 /nfs/dbraw/zinc/64/63/01/1418646301.db2.gz RGVDLFLJULRSPF-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001713891818 1418688465 /nfs/dbraw/zinc/68/84/65/1418688465.db2.gz LTBCXGWZSRGYIA-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713897379 1418695779 /nfs/dbraw/zinc/69/57/79/1418695779.db2.gz RWXWXWCIWMIDDT-XJDXJNMNSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]21 ZINC001713974437 1418754314 /nfs/dbraw/zinc/75/43/14/1418754314.db2.gz FKNKIELVZYZYBB-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCc1nccn1[C@@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001714000331 1418780569 /nfs/dbraw/zinc/78/05/69/1418780569.db2.gz AYGQAXKDKVPHBM-FUHWJXTLSA-N 2 0 348.535 3.366 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714034240 1418823353 /nfs/dbraw/zinc/82/33/53/1418823353.db2.gz OKOSZRONAIJGJR-HEVSSNLLSA-N 2 0 349.563 3.434 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H](NC(=O)CC2CC[NH+](C)CC2)C2CC2)CC1 ZINC001733185741 1429287104 /nfs/dbraw/zinc/28/71/04/1429287104.db2.gz RNVGCLBBTQMIDS-OUNSHVDWSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714035991 1418824640 /nfs/dbraw/zinc/82/46/40/1418824640.db2.gz PGXDQAASWXZLMG-XOIGSVRCSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001714097926 1418892341 /nfs/dbraw/zinc/89/23/41/1418892341.db2.gz FNESTVOYBDJOJK-WDSOQIARSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001714110412 1418912053 /nfs/dbraw/zinc/91/20/53/1418912053.db2.gz CXKBQWXWDBERMB-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC(C)C ZINC001714117741 1418921537 /nfs/dbraw/zinc/92/15/37/1418921537.db2.gz CNQMFXKKKRTDBV-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714130090 1418933628 /nfs/dbraw/zinc/93/36/28/1418933628.db2.gz MKKAEGHESUECQG-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001714149234 1418954782 /nfs/dbraw/zinc/95/47/82/1418954782.db2.gz WSSLYGOPQIIHPT-IBGZPJMESA-N 2 0 335.536 3.071 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001714173410 1418981188 /nfs/dbraw/zinc/98/11/88/1418981188.db2.gz ASCSVXUXBSRHNO-OXJNMPFZSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CCCC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001714185408 1418992527 /nfs/dbraw/zinc/99/25/27/1418992527.db2.gz HSAHIBXIVJXQFV-GHTZIAJQSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[NH2+]C1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001714190837 1418997519 /nfs/dbraw/zinc/99/75/19/1418997519.db2.gz MXZVXJNHJKKZJV-UHFFFAOYSA-N 2 0 337.552 3.312 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001714199725 1419004470 /nfs/dbraw/zinc/00/44/70/1419004470.db2.gz CMGGMNMBWJGVEK-UHFFFAOYSA-N 2 0 349.544 3.141 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001714200172 1419004622 /nfs/dbraw/zinc/00/46/22/1419004622.db2.gz OGJALTHEPCFBNC-VNCLNFNDSA-N 2 0 349.494 3.244 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001714251245 1419036198 /nfs/dbraw/zinc/03/61/98/1419036198.db2.gz WGFXAPVTLAZYBV-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714264511 1419046783 /nfs/dbraw/zinc/04/67/83/1419046783.db2.gz PRQWGMKIOHBXOX-PRPIBZDOSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001714282056 1419062282 /nfs/dbraw/zinc/06/22/82/1419062282.db2.gz DMMYLTHVUVILFT-SNAWJCMRSA-N 2 0 349.563 3.293 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001714322108 1419100631 /nfs/dbraw/zinc/10/06/31/1419100631.db2.gz OADVBJPAORADQC-HXUWFJFHSA-N 2 0 345.531 3.455 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714350704 1419118439 /nfs/dbraw/zinc/11/84/39/1419118439.db2.gz AZKOFGAJHRFELZ-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001714390568 1419138892 /nfs/dbraw/zinc/13/88/92/1419138892.db2.gz GQMSLZNARDFSNL-YTQUADARSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]CC1CCCC1 ZINC001714406451 1419147878 /nfs/dbraw/zinc/14/78/78/1419147878.db2.gz GQRKUEHAHGZQST-INIZCTEOSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001714406765 1419148063 /nfs/dbraw/zinc/14/80/63/1419148063.db2.gz ILMZCKBHEQWWLD-MOPGFXCFSA-N 2 0 345.531 3.221 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714418029 1419155068 /nfs/dbraw/zinc/15/50/68/1419155068.db2.gz UHERHLGXCXGFHQ-MOPGFXCFSA-N 2 0 331.504 3.179 10 0 EGAERP CC[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714440388 1419172287 /nfs/dbraw/zinc/17/22/87/1419172287.db2.gz KILGVKOZNSPHJE-QAPCUYQASA-N 2 0 342.487 3.225 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001714452070 1419184190 /nfs/dbraw/zinc/18/41/90/1419184190.db2.gz CDEWFJSLBCWMQK-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001714500366 1419226112 /nfs/dbraw/zinc/22/61/12/1419226112.db2.gz MPURAIDAWONCPT-MRXNPFEDSA-N 2 0 345.531 3.282 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001714501720 1419227824 /nfs/dbraw/zinc/22/78/24/1419227824.db2.gz PUNWAJZTBBEVDN-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001714513508 1419240935 /nfs/dbraw/zinc/24/09/35/1419240935.db2.gz HRVUKUBHDSFKII-GOSISDBHSA-N 2 0 349.494 3.129 10 0 EGAERP CC[N@H+](CCNC(=O)C1(C[NH+](C)C)CCCCC1)CCC(C)(C)C ZINC001714587262 1419330308 /nfs/dbraw/zinc/33/03/08/1419330308.db2.gz ODSZIQLTFBRUGA-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714708591 1419479890 /nfs/dbraw/zinc/47/98/90/1419479890.db2.gz JEFOTJALCBESDE-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001714761980 1419497540 /nfs/dbraw/zinc/49/75/40/1419497540.db2.gz ALXLFTOBPJIKOZ-GOSISDBHSA-N 2 0 345.531 3.062 10 0 EGAERP CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001714811401 1419522332 /nfs/dbraw/zinc/52/23/32/1419522332.db2.gz BPYMDDSHTOFSKO-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCCC1 ZINC001714852564 1419565082 /nfs/dbraw/zinc/56/50/82/1419565082.db2.gz ZUPHBRVGLUYAIY-BGYRXZFFSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001714912142 1419659568 /nfs/dbraw/zinc/65/95/68/1419659568.db2.gz FELNPBJEYIMYTF-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001714996278 1419728493 /nfs/dbraw/zinc/72/84/93/1419728493.db2.gz DPSPQHXZTKJWIX-HXUWFJFHSA-N 2 0 349.563 3.173 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001715048594 1419789488 /nfs/dbraw/zinc/78/94/88/1419789488.db2.gz VKTIAHUAZSLLIS-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001715050424 1419791933 /nfs/dbraw/zinc/79/19/33/1419791933.db2.gz YRUULEWHYZTZLR-SJORKVTESA-N 2 0 349.494 3.150 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001715052763 1419793977 /nfs/dbraw/zinc/79/39/77/1419793977.db2.gz NSVWQFWXNATVDB-MOPGFXCFSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]Cc2cccc(C)c2)C1 ZINC001715076801 1419811835 /nfs/dbraw/zinc/81/18/35/1419811835.db2.gz VGVKAEJHPJUKAK-WOJBJXKFSA-N 2 0 345.531 3.101 10 0 EGAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715088220 1419828241 /nfs/dbraw/zinc/82/82/41/1419828241.db2.gz WRDFRUWNZBZJCF-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@](C)(C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001715115048 1419859118 /nfs/dbraw/zinc/85/91/18/1419859118.db2.gz DKAGTXFHCMGBBZ-RXVVDRJESA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001715115935 1419860106 /nfs/dbraw/zinc/86/01/06/1419860106.db2.gz URRKBPRXVQGFMP-PZJWPPBQSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001715142559 1419889531 /nfs/dbraw/zinc/88/95/31/1419889531.db2.gz JYBGRNBPYYNBFS-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001715146306 1419891696 /nfs/dbraw/zinc/89/16/96/1419891696.db2.gz NUSTUCSPOSNHHU-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001715146300 1419891854 /nfs/dbraw/zinc/89/18/54/1419891854.db2.gz NUSTUCSPOSNHHU-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715162055 1419903342 /nfs/dbraw/zinc/90/33/42/1419903342.db2.gz QLRIDTKGSTUFBB-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001715273367 1419989284 /nfs/dbraw/zinc/98/92/84/1419989284.db2.gz QCXRYJJEUIRAMH-HKUYNNGSSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715341078 1420043757 /nfs/dbraw/zinc/04/37/57/1420043757.db2.gz UYKPNALAVOJBOM-AEFFLSMTSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001715376558 1420072871 /nfs/dbraw/zinc/07/28/71/1420072871.db2.gz ITFNRHUJGSFQOS-AZUAARDMSA-N 2 0 345.531 3.134 10 0 EGAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715391295 1420088258 /nfs/dbraw/zinc/08/82/58/1420088258.db2.gz MPKMIIVOLARKTO-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C1CCCCC1)[NH+](C)C ZINC001715399902 1420097922 /nfs/dbraw/zinc/09/79/22/1420097922.db2.gz KLHXHIXCLVORRV-VQTJNVASSA-N 2 0 345.531 3.182 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001715423941 1420115259 /nfs/dbraw/zinc/11/52/59/1420115259.db2.gz FQTSVAYZGQKPCQ-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001715428637 1420117945 /nfs/dbraw/zinc/11/79/45/1420117945.db2.gz ZWWJOAVYUPVJKH-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715445194 1420129882 /nfs/dbraw/zinc/12/98/82/1420129882.db2.gz NJMBIUGMLZLGGL-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715458800 1420139270 /nfs/dbraw/zinc/13/92/70/1420139270.db2.gz CZYYVRSNBLTCLP-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CC1CC(C)(C)C1 ZINC001715468842 1420147624 /nfs/dbraw/zinc/14/76/24/1420147624.db2.gz DGABYDBUWUJBEU-IBGZPJMESA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CCCC(C)(C)C)CC1 ZINC001715481268 1420159941 /nfs/dbraw/zinc/15/99/41/1420159941.db2.gz IYYNUFHNSAWUDB-UHFFFAOYSA-N 2 0 339.568 3.325 10 0 EGAERP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001715506188 1420189419 /nfs/dbraw/zinc/18/94/19/1420189419.db2.gz SGHMHDWPURPABW-FQEVSTJZSA-N 2 0 349.563 3.339 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001715566357 1420256426 /nfs/dbraw/zinc/25/64/26/1420256426.db2.gz KNRZSKNASNVQJF-AZUAARDMSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001715568059 1420257275 /nfs/dbraw/zinc/25/72/75/1420257275.db2.gz UWIWCBDOSMZXRR-MOPGFXCFSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001715992542 1420447424 /nfs/dbraw/zinc/44/74/24/1420447424.db2.gz JOVPVQRAHXWAEY-YQVWRLOYSA-N 2 0 333.520 3.045 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001715998701 1420452664 /nfs/dbraw/zinc/45/26/64/1420452664.db2.gz RNLCOHSDZUFSRT-IRXDYDNUSA-N 2 0 325.541 3.170 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCCCCC2)CC1)[NH+]1CCCC1 ZINC001733264559 1429421107 /nfs/dbraw/zinc/42/11/07/1429421107.db2.gz CIKFCDWRTCOAFZ-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CC2(CCC2)C1 ZINC001716033197 1420492415 /nfs/dbraw/zinc/49/24/15/1420492415.db2.gz UCLSWZRGCMMKAB-PKOBYXMFSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001716034799 1420494145 /nfs/dbraw/zinc/49/41/45/1420494145.db2.gz MIOPAEFODQUEDP-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042573 1420505478 /nfs/dbraw/zinc/50/54/78/1420505478.db2.gz QQGKHWQSGRWLQP-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC2CCC2)C1 ZINC001716049510 1420513589 /nfs/dbraw/zinc/51/35/89/1420513589.db2.gz BSRHLSKXCZWUTI-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001716051763 1420515903 /nfs/dbraw/zinc/51/59/03/1420515903.db2.gz RGHNHDFGAVNMRP-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001716053329 1420517889 /nfs/dbraw/zinc/51/78/89/1420517889.db2.gz JPPOPNVXJYYAGV-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001716145468 1420541227 /nfs/dbraw/zinc/54/12/27/1420541227.db2.gz HVUUVIPDQXMYMR-INIZCTEOSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716149908 1420542586 /nfs/dbraw/zinc/54/25/86/1420542586.db2.gz BMGSYMLHBMBDHD-JLAWEPINSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001716168197 1420548777 /nfs/dbraw/zinc/54/87/77/1420548777.db2.gz BRVJZXLIZJQEEO-ZWKOTPCHSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716181820 1420554833 /nfs/dbraw/zinc/55/48/33/1420554833.db2.gz RUSVHNHMEFDOJS-KRWDZBQOSA-N 2 0 345.531 3.427 10 0 EGAERP CCN(CC[NH2+]Cc1cccc2ccccc21)C(=O)C[N@H+](C)C(C)C ZINC001716255894 1420585251 /nfs/dbraw/zinc/58/52/51/1420585251.db2.gz HVKUHOCXORBLFB-UHFFFAOYSA-N 2 0 341.499 3.118 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001716378246 1420624192 /nfs/dbraw/zinc/62/41/92/1420624192.db2.gz HUPRDWUMYTYQFY-PJHKVULZSA-N 2 0 349.563 3.338 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001716496055 1420719803 /nfs/dbraw/zinc/71/98/03/1420719803.db2.gz NULCJBRBVSBBJD-BEFAXECRSA-N 2 0 343.531 3.072 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716499637 1420725559 /nfs/dbraw/zinc/72/55/59/1420725559.db2.gz LFABJEKVDBHWEU-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCCCC1 ZINC001716507699 1420739251 /nfs/dbraw/zinc/73/92/51/1420739251.db2.gz GDIIKFGDURBXEF-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716546305 1420756558 /nfs/dbraw/zinc/75/65/58/1420756558.db2.gz OCZJNDHGDBKLFX-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716657715 1420811737 /nfs/dbraw/zinc/81/17/37/1420811737.db2.gz RDYRAYHTFULKRF-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)cc1 ZINC001716671271 1420827221 /nfs/dbraw/zinc/82/72/21/1420827221.db2.gz LVULGQDRLDAROQ-FXAWDEMLSA-N 2 0 343.515 3.157 10 0 EGAERP CC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001716707688 1420861826 /nfs/dbraw/zinc/86/18/26/1420861826.db2.gz ZJCDHRMPGQFCQB-WELJNPPOSA-N 2 0 335.536 3.019 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001716711644 1420864154 /nfs/dbraw/zinc/86/41/54/1420864154.db2.gz CMFJNNYIVXCPGL-UNQUKWGNSA-N 2 0 347.547 3.140 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCCC(C)C)CC2 ZINC001716728115 1420886768 /nfs/dbraw/zinc/88/67/68/1420886768.db2.gz OIKQFORZXRFEBU-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001716819110 1420945523 /nfs/dbraw/zinc/94/55/23/1420945523.db2.gz QYDAIQFNYFAVGQ-VQTJNVASSA-N 2 0 349.563 3.338 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001716829881 1420956247 /nfs/dbraw/zinc/95/62/47/1420956247.db2.gz FFGNCFDJXAUUCV-IZRJCCQOSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001716830530 1420957407 /nfs/dbraw/zinc/95/74/07/1420957407.db2.gz RLWNSSVSNCBEFE-HXUWFJFHSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001716885801 1421009509 /nfs/dbraw/zinc/00/95/09/1421009509.db2.gz FLJSAZJPLJGJHM-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@]1(C)CCC[N@H+](CC2=CCCCC2)C1 ZINC001716898171 1421026780 /nfs/dbraw/zinc/02/67/80/1421026780.db2.gz QDUHEWSHOJSGQN-FQEVSTJZSA-N 2 0 335.536 3.047 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(C)CCC[NH+](CCC3CCCC3)C2)C1 ZINC001716901461 1421033274 /nfs/dbraw/zinc/03/32/74/1421033274.db2.gz IRCILQDAWGUZMT-PZJWPPBQSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC)c1ccccc1 ZINC001716999808 1421069886 /nfs/dbraw/zinc/06/98/86/1421069886.db2.gz SFZIUDDKYJVBDD-GSEOLPGOSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001717151774 1421142293 /nfs/dbraw/zinc/14/22/93/1421142293.db2.gz BPBBMYXFVUBYLE-SFHVURJKSA-N 2 0 349.563 3.458 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001733287700 1429463391 /nfs/dbraw/zinc/46/33/91/1429463391.db2.gz FXGLXLHOEYUKNY-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC(C)C)CC1)[NH+](CC)CC ZINC001717301605 1421243776 /nfs/dbraw/zinc/24/37/76/1421243776.db2.gz XGSAUERNIFLSFX-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001717310215 1421253258 /nfs/dbraw/zinc/25/32/58/1421253258.db2.gz CSZUEOUVWZAIKU-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001717332443 1421268391 /nfs/dbraw/zinc/26/83/91/1421268391.db2.gz UQJJETSHZLRYSF-DLBZAZTESA-N 2 0 337.552 3.265 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001717339232 1421277436 /nfs/dbraw/zinc/27/74/36/1421277436.db2.gz QTDHULATMCARFY-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001717340833 1421278212 /nfs/dbraw/zinc/27/82/12/1421278212.db2.gz HDRJBUNOXDZOSK-YQVWRLOYSA-N 2 0 333.520 3.189 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CCCCC2)CC1 ZINC001717371564 1421310519 /nfs/dbraw/zinc/31/05/19/1421310519.db2.gz RWCRQZYSRJFFAR-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC2CC(C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001717389657 1421327869 /nfs/dbraw/zinc/32/78/69/1421327869.db2.gz WHWVBPCXRCGIJP-VHBXLISGSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]Cc1ccccc1 ZINC001717409098 1421341887 /nfs/dbraw/zinc/34/18/87/1421341887.db2.gz MQYWCAXQVNHUIB-LSDHHAIUSA-N 2 0 345.512 3.106 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC001717430627 1421359117 /nfs/dbraw/zinc/35/91/17/1421359117.db2.gz INDOVDBRJOPUJI-MOPGFXCFSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717433016 1421360829 /nfs/dbraw/zinc/36/08/29/1421360829.db2.gz OFLBUIJJRHRKGP-HOTGVXAUSA-N 2 0 337.552 3.026 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717439988 1421369124 /nfs/dbraw/zinc/36/91/24/1421369124.db2.gz WKXRPFMEEFXDSU-IAGOWNOFSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717439987 1421369363 /nfs/dbraw/zinc/36/93/63/1421369363.db2.gz WKXRPFMEEFXDSU-DLBZAZTESA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CC2CCCCC2)CC1)[NH+](C)C ZINC001717449814 1421379718 /nfs/dbraw/zinc/37/97/18/1421379718.db2.gz PHEVNDIRAGJASE-CTWPCTMYSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001717490552 1421428965 /nfs/dbraw/zinc/42/89/65/1421428965.db2.gz PCTLBAPSUPKEMP-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001717528259 1421464201 /nfs/dbraw/zinc/46/42/01/1421464201.db2.gz RKRRPIVERQNJPX-UHFFFAOYSA-N 2 0 349.563 3.461 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001733298539 1429481766 /nfs/dbraw/zinc/48/17/66/1429481766.db2.gz WWGKBRNIGVYQFV-WIYYLYMNSA-N 2 0 343.515 3.012 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001717538948 1421477899 /nfs/dbraw/zinc/47/78/99/1421477899.db2.gz WBLDQJYMPVRTNV-XSAZBNQGSA-N 2 0 337.552 3.290 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCC2)C1 ZINC001717539422 1421478780 /nfs/dbraw/zinc/47/87/80/1421478780.db2.gz VGUIPOVYDFWBTD-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001717623165 1421532022 /nfs/dbraw/zinc/53/20/22/1421532022.db2.gz KTHKPIYHBIKJFY-FHWLQOOXSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001717682693 1421564224 /nfs/dbraw/zinc/56/42/24/1421564224.db2.gz IEHRDAXWWSXVJU-KRWDZBQOSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001717707197 1421582625 /nfs/dbraw/zinc/58/26/25/1421582625.db2.gz JGHVFYCRSMIHQB-UHFFFAOYSA-N 2 0 345.531 3.278 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736140 1421600874 /nfs/dbraw/zinc/60/08/74/1421600874.db2.gz KUOXGHSHMVENGQ-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001717756438 1421619750 /nfs/dbraw/zinc/61/97/50/1421619750.db2.gz FLWMEBZVDZMDBV-LSDHHAIUSA-N 2 0 339.911 3.178 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001717806409 1421631946 /nfs/dbraw/zinc/63/19/46/1421631946.db2.gz UQMDYVVNWKBATQ-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001717827876 1421641866 /nfs/dbraw/zinc/64/18/66/1421641866.db2.gz LAEYJWMVCAVHKP-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)C[C@H]2C)o1 ZINC001717830196 1421643109 /nfs/dbraw/zinc/64/31/09/1421643109.db2.gz OXKKCSCHRDUXLH-SJORKVTESA-N 2 0 347.503 3.280 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001717831060 1421643714 /nfs/dbraw/zinc/64/37/14/1421643714.db2.gz WRBXMMOHCDFITF-VQIMIIECSA-N 2 0 345.531 3.377 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001717841517 1421656611 /nfs/dbraw/zinc/65/66/11/1421656611.db2.gz SKNFNQGWQBPRBO-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001717849369 1421662677 /nfs/dbraw/zinc/66/26/77/1421662677.db2.gz NYIRCANELJCMKR-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001717888146 1421688969 /nfs/dbraw/zinc/68/89/69/1421688969.db2.gz YVGFGAWPMCGZMG-VQIMIIECSA-N 2 0 331.504 3.036 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001717947931 1421714348 /nfs/dbraw/zinc/71/43/48/1421714348.db2.gz CBGFASNOQMJWSO-UYAOXDASSA-N 2 0 345.531 3.004 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001717950471 1421719112 /nfs/dbraw/zinc/71/91/12/1421719112.db2.gz UTWAZBDHLOPNIU-OALUTQOASA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001717979118 1421750031 /nfs/dbraw/zinc/75/00/31/1421750031.db2.gz WLMYNLNFKULGER-GOSISDBHSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001717985462 1421758189 /nfs/dbraw/zinc/75/81/89/1421758189.db2.gz KVOQMVIUTWCDGQ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001733328600 1429513834 /nfs/dbraw/zinc/51/38/34/1429513834.db2.gz NPNZYOCUXRFGPS-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001733334937 1429519808 /nfs/dbraw/zinc/51/98/08/1429519808.db2.gz ZDXFDZPWNMUIQU-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001733362524 1429547477 /nfs/dbraw/zinc/54/74/77/1429547477.db2.gz VJJSXXPDOAPUEM-GOSISDBHSA-N 2 0 343.515 3.123 10 0 EGAERP Cc1cc(C)cc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001733412003 1429612948 /nfs/dbraw/zinc/61/29/48/1429612948.db2.gz KADVBMIJQVZURB-OAQYLSRUSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001733416269 1429620550 /nfs/dbraw/zinc/62/05/50/1429620550.db2.gz JBORYOIMKKTWSV-OAQYLSRUSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001733426506 1429633931 /nfs/dbraw/zinc/63/39/31/1429633931.db2.gz SZLNXULDCSMFQX-FXAWDEMLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733426334 1429634008 /nfs/dbraw/zinc/63/40/08/1429634008.db2.gz DULOOGAGNJQPIQ-PZJWPPBQSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733432656 1429640010 /nfs/dbraw/zinc/64/00/10/1429640010.db2.gz HTANYOYYFOJDQH-FQEVSTJZSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001733451027 1429663065 /nfs/dbraw/zinc/66/30/65/1429663065.db2.gz DPQNVYNJSJWBTG-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001733768792 1429995232 /nfs/dbraw/zinc/99/52/32/1429995232.db2.gz KGYKFIHNTFEMMM-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001723202295 1424319990 /nfs/dbraw/zinc/31/99/90/1424319990.db2.gz AUKDXJCOXLSNOY-KRWDZBQOSA-N 2 0 349.494 3.201 10 0 EGAERP CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC001723205623 1424320830 /nfs/dbraw/zinc/32/08/30/1424320830.db2.gz ZJRIZCLAJIEQMN-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001723356598 1424370203 /nfs/dbraw/zinc/37/02/03/1424370203.db2.gz RTVLDRPCUOOOOH-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001723376558 1424376893 /nfs/dbraw/zinc/37/68/93/1424376893.db2.gz HANLOXWSPXXHBO-ICSRJNTNSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)[NH+]1CCCCCC1 ZINC001723570513 1424469285 /nfs/dbraw/zinc/46/92/85/1424469285.db2.gz KFOWPBWYHLRVOC-GOSISDBHSA-N 2 0 347.547 3.380 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]Cc2ccc(C3CCC3)cc2)CC1 ZINC001723595170 1424481540 /nfs/dbraw/zinc/48/15/40/1424481540.db2.gz NDPKMFZYNBZJOR-UHFFFAOYSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)c1ccccc1F ZINC001723595756 1424482403 /nfs/dbraw/zinc/48/24/03/1424482403.db2.gz VEWYPOVYRAZQDP-MRXNPFEDSA-N 2 0 347.478 3.001 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001723610013 1424492869 /nfs/dbraw/zinc/49/28/69/1424492869.db2.gz SYFUPQWLXIADOR-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001723679318 1424526542 /nfs/dbraw/zinc/52/65/42/1424526542.db2.gz KDXLRZSKOLBQGI-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723691286 1424531977 /nfs/dbraw/zinc/53/19/77/1424531977.db2.gz OTVLCCXNQQKWMU-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001723707370 1424538854 /nfs/dbraw/zinc/53/88/54/1424538854.db2.gz ZKZGGHPOWIKDQQ-RLLQIKCJSA-N 2 0 343.515 3.153 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001723859244 1424588498 /nfs/dbraw/zinc/58/84/98/1424588498.db2.gz FTXOYWIQTJDXSN-FXAWDEMLSA-N 2 0 345.531 3.377 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001723963704 1424611742 /nfs/dbraw/zinc/61/17/42/1424611742.db2.gz LNAOFIWVXJKAOC-XQQSMPNESA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)[NH+](CC)CC ZINC001724125447 1424676500 /nfs/dbraw/zinc/67/65/00/1424676500.db2.gz GMJSYSAWKLBWJU-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001733558002 1429755715 /nfs/dbraw/zinc/75/57/15/1429755715.db2.gz XJOYOWIGRFRZQZ-KQPGTDLCSA-N 2 0 349.563 3.147 10 0 EGAERP C[C@@]1(CNC(=O)CCC[NH+]2CCCC2)CCC[N@H+](CC2CCCC2)C1 ZINC001724344433 1424844995 /nfs/dbraw/zinc/84/49/95/1424844995.db2.gz VUDUNMSNUAXZBX-NRFANRHFSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724552858 1424908558 /nfs/dbraw/zinc/90/85/58/1424908558.db2.gz YLJGNLKQIYHWJJ-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CCC1CC1 ZINC001724599512 1424929826 /nfs/dbraw/zinc/92/98/26/1424929826.db2.gz FNGUIGHYZGIGOR-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001724612480 1424955466 /nfs/dbraw/zinc/95/54/66/1424955466.db2.gz FGTVZXQVMZWFGI-OKYOBFRVSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001724741226 1425105767 /nfs/dbraw/zinc/10/57/67/1425105767.db2.gz NUSYYRQGIDJZDH-CALCHBBNSA-N 2 0 331.504 3.017 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001724795957 1425163266 /nfs/dbraw/zinc/16/32/66/1425163266.db2.gz JDXKCGHEFQSVCO-HKVCONOFSA-N 2 0 347.547 3.378 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001724858650 1425237422 /nfs/dbraw/zinc/23/74/22/1425237422.db2.gz ZQONXHBBGSLSEG-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001724901933 1425295810 /nfs/dbraw/zinc/29/58/10/1425295810.db2.gz ZPBQBFICYMHQSO-AZUAARDMSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001724954890 1425340344 /nfs/dbraw/zinc/34/03/44/1425340344.db2.gz XXFOIDDHJXDPJS-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001724957893 1425344884 /nfs/dbraw/zinc/34/48/84/1425344884.db2.gz ZNYURLGEKKJEPI-OJBOGMDESA-N 2 0 347.547 3.330 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001724960359 1425348700 /nfs/dbraw/zinc/34/87/00/1425348700.db2.gz IRXYACZAPHRMPM-UHFFFAOYSA-N 2 0 331.504 3.133 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001724979008 1425379984 /nfs/dbraw/zinc/37/99/84/1425379984.db2.gz JRDPPIVTCDPVOX-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001725004006 1425417122 /nfs/dbraw/zinc/41/71/22/1425417122.db2.gz UKLWOCZXRTWXBS-ICSRJNTNSA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725007205 1425421502 /nfs/dbraw/zinc/42/15/02/1425421502.db2.gz OQHLWCABDUQZID-BOYOMHKPSA-N 2 0 341.515 3.040 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001725016859 1425435787 /nfs/dbraw/zinc/43/57/87/1425435787.db2.gz GAVFAJSHTZENLT-SREVYHEPSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725045560 1425475242 /nfs/dbraw/zinc/47/52/42/1425475242.db2.gz ZYRHGPGKDPZXRO-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001725049763 1425481241 /nfs/dbraw/zinc/48/12/41/1425481241.db2.gz UDVXQSSHLGSXAT-ZBWOGFRMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)c1cnc[nH]1 ZINC001725051946 1425485117 /nfs/dbraw/zinc/48/51/17/1425485117.db2.gz FBNONWPSOUGIOF-INIZCTEOSA-N 2 0 334.508 3.046 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC(C)CC1 ZINC001725054670 1425489041 /nfs/dbraw/zinc/48/90/41/1425489041.db2.gz YMUNUQNWEXAUPI-CTWPCTMYSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001725059765 1425499682 /nfs/dbraw/zinc/49/96/82/1425499682.db2.gz SHHPBQMZEBJPSY-PXPVJAHISA-N 2 0 335.536 3.142 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccc(F)cc1 ZINC001725191412 1425736335 /nfs/dbraw/zinc/73/63/35/1425736335.db2.gz UYLFGJFFQVETOI-IRXDYDNUSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001725217434 1425784740 /nfs/dbraw/zinc/78/47/40/1425784740.db2.gz KVJIDAHTAOMTFZ-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001725224544 1425792613 /nfs/dbraw/zinc/79/26/13/1425792613.db2.gz USOUETCDSZAWPX-RTBURBONSA-N 2 0 347.547 3.378 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001725239336 1425837862 /nfs/dbraw/zinc/83/78/62/1425837862.db2.gz XJUDEAZUXUIBKK-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725452498 1426118051 /nfs/dbraw/zinc/11/80/51/1426118051.db2.gz GYVITCMESDRJSJ-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001725457260 1426123098 /nfs/dbraw/zinc/12/30/98/1426123098.db2.gz SBXAYCIKFOGLET-WOJBJXKFSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001725505887 1426188632 /nfs/dbraw/zinc/18/86/32/1426188632.db2.gz NYSMOGLPRDRBND-IRXDYDNUSA-N 2 0 347.547 3.433 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001725510831 1426198059 /nfs/dbraw/zinc/19/80/59/1426198059.db2.gz KADJVHUUAIJDNT-QZTJIDSGSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001725574754 1426232600 /nfs/dbraw/zinc/23/26/00/1426232600.db2.gz OCLWLKVSKJPBNE-UYAOXDASSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c1 ZINC001725576535 1426233560 /nfs/dbraw/zinc/23/35/60/1426233560.db2.gz VDOMHRQUMDZVCA-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](CCC2CCCC2)CC3)CC1 ZINC001725606888 1426263854 /nfs/dbraw/zinc/26/38/54/1426263854.db2.gz AOWWOBHPAAYRKA-NQIIRXRSSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@H]1C ZINC001725619310 1426282814 /nfs/dbraw/zinc/28/28/14/1426282814.db2.gz FULIAYWNGJDEKF-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCCC1CCCC1)CC2 ZINC001725639551 1426314841 /nfs/dbraw/zinc/31/48/41/1426314841.db2.gz UWRYFEGQVWQFBS-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001725660165 1426342635 /nfs/dbraw/zinc/34/26/35/1426342635.db2.gz FCTVISRJMGQLBX-YZPMEYCISA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001725668042 1426351577 /nfs/dbraw/zinc/35/15/77/1426351577.db2.gz ZOOBOAWPSNNGFH-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001725674547 1426359737 /nfs/dbraw/zinc/35/97/37/1426359737.db2.gz GFBHLJYYPNVURI-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001725759836 1426440290 /nfs/dbraw/zinc/44/02/90/1426440290.db2.gz XUDZRUIPLZMLBH-LJQANCHMSA-N 2 0 347.547 3.210 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001725763602 1426444963 /nfs/dbraw/zinc/44/49/63/1426444963.db2.gz YKQNLTLHDGJGHD-ZMGAVLDPSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725769526 1426452774 /nfs/dbraw/zinc/45/27/74/1426452774.db2.gz WMJJNOMRSRLTRS-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC2=CCCCC2)C1 ZINC001731277527 1427222615 /nfs/dbraw/zinc/22/26/15/1427222615.db2.gz IPJNGOJATYNPGK-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001731453550 1427429323 /nfs/dbraw/zinc/42/93/23/1427429323.db2.gz OITNFMIODKTRCT-IYARVYRRSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001731489541 1427464048 /nfs/dbraw/zinc/46/40/48/1427464048.db2.gz LBWNQEWXMZTJSC-YTQUADARSA-N 2 0 331.504 3.025 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731520334 1427508455 /nfs/dbraw/zinc/50/84/55/1427508455.db2.gz XLJKHLXOEWKFCH-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731530889 1427521695 /nfs/dbraw/zinc/52/16/95/1427521695.db2.gz NBBDSIHKOUVLDA-LJQANCHMSA-N 2 0 345.531 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)C ZINC001731546605 1427563355 /nfs/dbraw/zinc/56/33/55/1427563355.db2.gz NPDNSGBCZIIHSV-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555029 1427579970 /nfs/dbraw/zinc/57/99/70/1427579970.db2.gz QFCZAXGENDZBLT-HKUYNNGSSA-N 2 0 347.547 3.188 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001731700921 1427752882 /nfs/dbraw/zinc/75/28/82/1427752882.db2.gz DVAJJSCPKOJNDI-QZTJIDSGSA-N 2 0 349.544 3.141 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC001731747128 1427839733 /nfs/dbraw/zinc/83/97/33/1427839733.db2.gz MVNGHZDLTUTEPG-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+](C)CCC2=CCCCC2)c1 ZINC001731795678 1427948858 /nfs/dbraw/zinc/94/88/58/1427948858.db2.gz IHOFQUFTIGUECC-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP Cc1cc(C)c(C[N@@H+](C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC001731796279 1427949937 /nfs/dbraw/zinc/94/99/37/1427949937.db2.gz YXEPRSPXSVPDPO-OALUTQOASA-N 2 0 345.531 3.033 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1c(C)cccc1C ZINC001731815194 1428007966 /nfs/dbraw/zinc/00/79/66/1428007966.db2.gz ABESRDBVHNHMCC-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731834874 1428048702 /nfs/dbraw/zinc/04/87/02/1428048702.db2.gz SECZMWOHWHTPHK-XQQSMPNESA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001731855628 1428089203 /nfs/dbraw/zinc/08/92/03/1428089203.db2.gz WLCLQIKKPPBQNQ-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC(C)(C)C ZINC001731870814 1428127465 /nfs/dbraw/zinc/12/74/65/1428127465.db2.gz PSSITAONHIZPNS-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)(C)CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001731878197 1428145422 /nfs/dbraw/zinc/14/54/22/1428145422.db2.gz VFVANKJPUCSKKC-MSOLQXFVSA-N 2 0 335.536 3.020 10 0 EGAERP CC1CC[NH+](CC(=O)NCC[N@H+](CCC2=CCCCC2)C2CC2)CC1 ZINC001731884267 1428157631 /nfs/dbraw/zinc/15/76/31/1428157631.db2.gz QLQYEBDXAYRDIV-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)CCC[NH+]1CCCCC1 ZINC001731983738 1428195437 /nfs/dbraw/zinc/19/54/37/1428195437.db2.gz NWJDIFRVKPDQFI-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001733597706 1429796645 /nfs/dbraw/zinc/79/66/45/1429796645.db2.gz DDDBCBKHSCCGRV-OBNUAKFSSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3=CCCCC3)C[C@H]21 ZINC001733606090 1429818146 /nfs/dbraw/zinc/81/81/46/1429818146.db2.gz OKEZRBNQPPAXQB-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733685983 1429902340 /nfs/dbraw/zinc/90/23/40/1429902340.db2.gz FSLONOQHYPMALF-NCXUSEDFSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001733708401 1429921875 /nfs/dbraw/zinc/92/18/75/1429921875.db2.gz CSOIKPFJTRJZQZ-QGZVFWFLSA-N 2 0 345.531 3.049 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733715775 1429934551 /nfs/dbraw/zinc/93/45/51/1429934551.db2.gz DQGRHZTZPJAVAD-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)c1 ZINC001733780840 1430044518 /nfs/dbraw/zinc/04/45/18/1430044518.db2.gz SJLCNHNSONEUBQ-MOPGFXCFSA-N 2 0 345.531 3.096 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001733815267 1430096777 /nfs/dbraw/zinc/09/67/77/1430096777.db2.gz YZGBRBOIZGJQOH-FNEOHHHZSA-N 2 0 347.547 3.143 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001733851057 1437686747 /nfs/dbraw/zinc/68/67/47/1437686747.db2.gz DEEYHXLUNHAVTK-GBXWSJCFSA-N 2 0 337.552 3.147 10 0 EGAERP Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001733899277 1437717399 /nfs/dbraw/zinc/71/73/99/1437717399.db2.gz GJMKLTZYPDVVDW-AZUAARDMSA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733937140 1437751859 /nfs/dbraw/zinc/75/18/59/1437751859.db2.gz GZECNFTXFNFRIX-YJJPMGAVSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001733948603 1437761392 /nfs/dbraw/zinc/76/13/92/1437761392.db2.gz HCBATCAYAXVOES-SOAGJPPSSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733974233 1437774082 /nfs/dbraw/zinc/77/40/82/1437774082.db2.gz UDALGOAMZTXZEG-IRXDYDNUSA-N 2 0 325.541 3.170 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001733987231 1437783463 /nfs/dbraw/zinc/78/34/63/1437783463.db2.gz JNLKQWOYDVSMBG-MSOLQXFVSA-N 2 0 347.547 3.264 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734064472 1437859426 /nfs/dbraw/zinc/85/94/26/1437859426.db2.gz BZVFSSUNDARVHK-LSDHHAIUSA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080736 1437867907 /nfs/dbraw/zinc/86/79/07/1437867907.db2.gz MWAQCUIPXIIZEZ-QUCCMNQESA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001734229768 1437950348 /nfs/dbraw/zinc/95/03/48/1437950348.db2.gz PKHDDGGJWISQIZ-ICSRJNTNSA-N 2 0 345.531 3.081 10 0 EGAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC(C)(C)C ZINC001734336262 1438058509 /nfs/dbraw/zinc/05/85/09/1438058509.db2.gz ZJMXIJJOTRPYIA-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC(C)(C)C ZINC001734344011 1438063846 /nfs/dbraw/zinc/06/38/46/1438063846.db2.gz FORSEDDJRXEXTE-INIZCTEOSA-N 2 0 333.520 3.235 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001734432020 1438095472 /nfs/dbraw/zinc/09/54/72/1438095472.db2.gz YPPGPIINICKQFP-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001734438946 1438101412 /nfs/dbraw/zinc/10/14/12/1438101412.db2.gz OMKKSTVXAYDQEK-XLIONFOSSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001734444438 1438105872 /nfs/dbraw/zinc/10/58/72/1438105872.db2.gz NVLJPWAEGSPPMB-SDVBZNEUSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487887 1438129590 /nfs/dbraw/zinc/12/95/90/1438129590.db2.gz OQLALJKZZMSKQX-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1)c1ccccc1 ZINC001734510423 1438138281 /nfs/dbraw/zinc/13/82/81/1438138281.db2.gz RZSHTGAZVDYGIY-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001734575561 1438168877 /nfs/dbraw/zinc/16/88/77/1438168877.db2.gz VJDMNRJLMNFZTE-ZEVQVBBLSA-N 2 0 337.552 3.195 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001734576419 1438169340 /nfs/dbraw/zinc/16/93/40/1438169340.db2.gz OBBHMZZMWOYIRV-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001750930904 1440113198 /nfs/dbraw/zinc/11/31/98/1440113198.db2.gz PGSZUHPIOWELBX-DSQZMVHQSA-N 2 0 335.536 3.140 10 0 EGAERP C[N@H+](CC1(c2ccc(Br)cc2)CC1)C[C@]1(C)CC[NH2+]C1 ZINC000262022266 282385133 /nfs/dbraw/zinc/38/51/33/282385133.db2.gz NGWOHRJQWJRFAA-MRXNPFEDSA-N 2 0 337.305 3.412 10 0 EGAERP CCCN1C(=O)CC[C@H]2C[N@@H+](Cc3cc(C[NH+](C)C)cs3)CC[C@H]21 ZINC000072458741 216244237 /nfs/dbraw/zinc/24/42/37/216244237.db2.gz PMCHRSKMFLTJEN-FUHWJXTLSA-N 2 0 349.544 3.033 10 0 EGAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@@](C)(O)c1ccccc1 ZINC000072869067 216323015 /nfs/dbraw/zinc/32/30/15/216323015.db2.gz KNOLCQBNIJHMRW-RBBKRZOGSA-N 2 0 338.495 3.348 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000225808148 242046933 /nfs/dbraw/zinc/04/69/33/242046933.db2.gz XEDNBZSHQADMMQ-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP COc1c(C)cnc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)c1C ZINC000110030847 220009764 /nfs/dbraw/zinc/00/97/64/220009764.db2.gz HNLCJJOORUMMDD-QGZVFWFLSA-N 2 0 340.471 3.344 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000081363185 217388451 /nfs/dbraw/zinc/38/84/51/217388451.db2.gz RCSBIPHRRZIKTF-IBGZPJMESA-N 2 0 343.515 3.086 10 0 EGAERP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000093132630 218195309 /nfs/dbraw/zinc/19/53/09/218195309.db2.gz VTYZWCFHIRLLGF-LJQANCHMSA-N 2 0 339.483 3.158 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3cnccn3)cc2)[C@H](C)C1 ZINC000093639613 218237240 /nfs/dbraw/zinc/23/72/40/218237240.db2.gz QOSFQHSWNOEMJB-VQIMIIECSA-N 2 0 340.471 3.431 10 0 EGAERP C[C@@H]([NH2+]CCc1ccccc1O)c1ccc(OCC[NH+](C)C)cc1 ZINC000154918220 533405928 /nfs/dbraw/zinc/40/59/28/533405928.db2.gz XROOSSJTJBLGML-MRXNPFEDSA-N 2 0 328.456 3.226 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)C1 ZINC000246578199 141016922 /nfs/dbraw/zinc/01/69/22/141016922.db2.gz YLCFDUIHRMTKRM-BBRMVZONSA-N 2 0 348.878 3.252 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@@H]2c2ccc(F)cc2)CC1 ZINC000246832230 141037946 /nfs/dbraw/zinc/03/79/46/141037946.db2.gz ALSAMGSZCPNMGE-UXHICEINSA-N 2 0 333.495 3.079 10 0 EGAERP CCCO[C@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346200363 141178910 /nfs/dbraw/zinc/17/89/10/141178910.db2.gz MJHMGLAGTOIGTO-IBGZPJMESA-N 2 0 328.460 3.357 10 0 EGAERP Cc1cnc(CC[N@@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)s1 ZINC000346208181 141180245 /nfs/dbraw/zinc/18/02/45/141180245.db2.gz SQJBRKCGJMIHDI-UHFFFAOYSA-N 2 0 327.457 3.015 10 0 EGAERP CCO[C@@H](C)c1nc(CN2CCC[C@@H]2Cn2ccnc2C)cs1 ZINC000178318294 144069253 /nfs/dbraw/zinc/06/92/53/144069253.db2.gz SEGWPUHBAGBDBK-XJKSGUPXSA-N 2 0 334.489 3.410 10 0 EGAERP CC[NH+]1CCN([C@H](C)CNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000185273629 144109356 /nfs/dbraw/zinc/10/93/56/144109356.db2.gz PFOIFMBQOFEVOU-QGZVFWFLSA-N 2 0 326.488 3.290 10 0 EGAERP c1ccc(-c2noc(CC[NH+]3CCC(C[NH+]4CCCC4)CC3)n2)cc1 ZINC000364258467 144393754 /nfs/dbraw/zinc/39/37/54/144393754.db2.gz PRYLVLKQBJLEQD-UHFFFAOYSA-N 2 0 340.471 3.087 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000367620695 286291150 /nfs/dbraw/zinc/29/11/50/286291150.db2.gz QULIXGJITWEJFX-KSZLIROESA-N 2 0 346.515 3.444 10 0 EGAERP Fc1ccc(-n2nccc2C[NH+]2CCC(c3c[nH]cn3)CC2)cc1 ZINC000365439845 157126077 /nfs/dbraw/zinc/12/60/77/157126077.db2.gz SKNCLDKSPSRTHX-UHFFFAOYSA-N 2 0 325.391 3.114 10 0 EGAERP C[N@H+](CCN1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248571011 163016026 /nfs/dbraw/zinc/01/60/26/163016026.db2.gz QZBYKXULYXHNBJ-RXVVDRJESA-N 2 0 345.506 3.206 10 0 EGAERP OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249037901 163051661 /nfs/dbraw/zinc/05/16/61/163051661.db2.gz TXDABKQBUXVBSV-ALGQRKQJSA-N 2 0 328.500 3.323 10 0 EGAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338533885 163263262 /nfs/dbraw/zinc/26/32/62/163263262.db2.gz BLNFNEJBNDEHCT-ROUUACIJSA-N 2 0 343.515 3.275 10 0 EGAERP CCOc1ccc(CN2CCN(c3cnccc3C)CC2)cc1OC ZINC000343651223 164003695 /nfs/dbraw/zinc/00/36/95/164003695.db2.gz BAHHHGVQGKYFES-UHFFFAOYSA-N 2 0 341.455 3.120 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+][C@H]1CN(Cc2ccccc2)CC[C@H]1CO ZINC000346547749 164394976 /nfs/dbraw/zinc/39/49/76/164394976.db2.gz BDSOAVSEKXRDBD-PVAVHDDUSA-N 2 0 344.421 3.190 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)cc1 ZINC000354877321 166053647 /nfs/dbraw/zinc/05/36/47/166053647.db2.gz FMBFZABMNYUOMB-UHFFFAOYSA-N 2 0 343.515 3.156 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCO[C@@H]21 ZINC000365199843 168034592 /nfs/dbraw/zinc/03/45/92/168034592.db2.gz UYMZPQSTIAMHME-HAGHYFMRSA-N 2 0 328.500 3.302 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000367600698 168247723 /nfs/dbraw/zinc/24/77/23/168247723.db2.gz ZIRSUFSYBARSLR-PCCBWWKXSA-N 2 0 330.516 3.488 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367618213 168250516 /nfs/dbraw/zinc/25/05/16/168250516.db2.gz SERRPVOVJPRXRT-ZCNNSNEGSA-N 2 0 332.488 3.064 10 0 EGAERP CCC[NH+](CCC)CCCc1nc(-c2ccn3c[nH+]cc3c2)no1 ZINC000279454810 275332385 /nfs/dbraw/zinc/33/23/85/275332385.db2.gz DXYAFADUAXPOHE-UHFFFAOYSA-N 2 0 327.432 3.439 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000367625819 277172280 /nfs/dbraw/zinc/17/22/80/277172280.db2.gz ZCIVUEZYQUIPDA-HKBOAZHASA-N 3 0 327.516 3.245 10 0 EGAERP CC[C@@H]1CCC[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714564 280285653 /nfs/dbraw/zinc/28/56/53/280285653.db2.gz ICHPNJHQCZPVFR-APISQKPESA-N 2 0 333.564 3.446 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3occc32)(N2CCCCC2)CC1 ZINC000192906922 289880194 /nfs/dbraw/zinc/88/01/94/289880194.db2.gz QRQFSSPVRWEVLE-SFHVURJKSA-N 2 0 331.504 3.197 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000414188996 309065699 /nfs/dbraw/zinc/06/56/99/309065699.db2.gz QVIXNCAKFTVPKL-MRXNPFEDSA-N 3 0 338.455 3.126 10 0 EGAERP CC(C)[C@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414305070 309071864 /nfs/dbraw/zinc/07/18/64/309071864.db2.gz NAIDRWITZCIOBD-WOJBJXKFSA-N 2 0 330.516 3.428 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]Cc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000295252262 308307643 /nfs/dbraw/zinc/30/76/43/308307643.db2.gz QNRPFGJIPFLDOB-HDICACEKSA-N 2 0 332.488 3.001 10 0 EGAERP C[C@@H]1C[C@H](C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]1 ZINC000414715127 309096868 /nfs/dbraw/zinc/09/68/68/309096868.db2.gz YEIAAXWJFKZKSR-CPUCHLNUSA-N 2 0 342.405 3.467 10 0 EGAERP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414825995 309103915 /nfs/dbraw/zinc/10/39/15/309103915.db2.gz DNFUHXJCCVEILM-INIZCTEOSA-N 2 0 346.906 3.291 10 0 EGAERP Cc1nn2c(CNC[C@H]([NH3+])c3ccccc3)c(C(C)C)nc2s1 ZINC000414833745 309104467 /nfs/dbraw/zinc/10/44/67/309104467.db2.gz PZWQWXLHJLAITG-AWEZNQCLSA-N 2 0 329.473 3.012 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414840340 309104903 /nfs/dbraw/zinc/10/49/03/309104903.db2.gz NCEAQJQGZSNUFX-HUUCEWRRSA-N 2 0 337.895 3.345 10 0 EGAERP C[C@@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397554948 308904409 /nfs/dbraw/zinc/90/44/09/308904409.db2.gz KVVSYUPLVDGHIU-MJGOQNOKSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414952240 309111021 /nfs/dbraw/zinc/11/10/21/309111021.db2.gz IMRJNDAWRYFDEL-YWZLYKJASA-N 2 0 328.431 3.492 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952152 309111119 /nfs/dbraw/zinc/11/11/19/309111119.db2.gz QNZLDPZFTZFASL-UHIISALHSA-N 2 0 329.257 3.249 10 0 EGAERP CCC[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415049562 309116461 /nfs/dbraw/zinc/11/64/61/309116461.db2.gz HSEIKQYXPVLENS-MWXLCCTBSA-N 2 0 329.532 3.376 10 0 EGAERP C[C@]1(c2ccccc2)CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415055868 309117138 /nfs/dbraw/zinc/11/71/38/309117138.db2.gz PCZJXOIWKLEFAU-XLCOUGHXSA-N 2 0 341.543 3.303 10 0 EGAERP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OCC ZINC000415057349 309117267 /nfs/dbraw/zinc/11/72/67/309117267.db2.gz TZUNXFDYMHHQMA-MSOLQXFVSA-N 2 0 332.488 3.448 10 0 EGAERP Clc1ccc(Cl)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1 ZINC000415061032 309117624 /nfs/dbraw/zinc/11/76/24/309117624.db2.gz XRFLQPMHAFYAGB-UHFFFAOYSA-N 2 0 342.314 3.299 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccc(C)cc1)[NH+](C)C ZINC000415894923 309146623 /nfs/dbraw/zinc/14/66/23/309146623.db2.gz AGZSVCHKWJPNDC-LJQANCHMSA-N 2 0 340.471 3.139 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000417015719 309189760 /nfs/dbraw/zinc/18/97/60/309189760.db2.gz FQEABNVWCFHMAH-INIZCTEOSA-N 2 0 346.519 3.160 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000417019818 309189933 /nfs/dbraw/zinc/18/99/33/309189933.db2.gz RGTDHVYMDVILFT-KXBFYZLASA-N 2 0 346.519 3.016 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000417240925 309198735 /nfs/dbraw/zinc/19/87/35/309198735.db2.gz QNXHMLPOWWJSEO-HZPDHXFCSA-N 2 0 346.519 3.016 10 0 EGAERP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418457505 309246930 /nfs/dbraw/zinc/24/69/30/309246930.db2.gz GYXDTCFXGRGRFM-KRWDZBQOSA-N 2 0 346.519 3.114 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC000421390139 309322273 /nfs/dbraw/zinc/32/22/73/309322273.db2.gz RZNAPWUUSARXNL-GOSISDBHSA-N 2 0 330.516 3.367 10 0 EGAERP CCOc1cccc(CN2CCC3(CC[NH2+]3)CC2)c1OC(F)F ZINC000422559477 309361697 /nfs/dbraw/zinc/36/16/97/309361697.db2.gz DEHLVCGRXPIMJU-UHFFFAOYSA-N 2 0 326.387 3.015 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422776878 309367680 /nfs/dbraw/zinc/36/76/80/309367680.db2.gz FBVLOZMJCBMUDO-MHTWAQMVSA-N 2 0 329.532 3.498 10 0 EGAERP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422779112 309367949 /nfs/dbraw/zinc/36/79/49/309367949.db2.gz BKLDOSGUDHOUPT-XWPNQZOQSA-N 2 0 332.488 3.363 10 0 EGAERP COc1ccc([C@H](NC[C@@H](CC(C)C)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422819977 309370123 /nfs/dbraw/zinc/37/01/23/309370123.db2.gz OQXJFPXRRWYDGX-HOJAQTOUSA-N 2 0 333.520 3.054 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824247 309370253 /nfs/dbraw/zinc/37/02/53/309370253.db2.gz GSCYNCKLRIXQJI-CJNGLKHVSA-N 2 0 328.403 3.009 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824248 309370357 /nfs/dbraw/zinc/37/03/57/309370357.db2.gz GSCYNCKLRIXQJI-CZUORRHYSA-N 2 0 328.403 3.009 10 0 EGAERP COC1CCC(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422838978 309371044 /nfs/dbraw/zinc/37/10/44/309371044.db2.gz PJBBQJZJNMCGCT-AURQOUSISA-N 2 0 330.472 3.037 10 0 EGAERP CC[NH+](CC)[C@@H](CN[C@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000422835678 309371165 /nfs/dbraw/zinc/37/11/65/309371165.db2.gz PYTIKSRGBVNNCB-SJLPKXTDSA-N 2 0 326.488 3.098 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843019 309371500 /nfs/dbraw/zinc/37/15/00/309371500.db2.gz GSCYNTDSHRAILO-MRXNPFEDSA-N 2 0 339.483 3.248 10 0 EGAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000422893889 309374599 /nfs/dbraw/zinc/37/45/99/309374599.db2.gz BEZWHGYCCNJAQZ-PKOBYXMFSA-N 3 0 333.520 3.027 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422906213 309375660 /nfs/dbraw/zinc/37/56/60/309375660.db2.gz UMYHZUQECWUTCT-UMSONDCASA-N 2 0 343.515 3.032 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422937621 309377155 /nfs/dbraw/zinc/37/71/55/309377155.db2.gz OKJKLIQQFWNYOO-PWIZWCRZSA-N 2 0 340.467 3.108 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1Br ZINC000422992997 309379902 /nfs/dbraw/zinc/37/99/02/309379902.db2.gz DSFQKWAPGOZXTC-CYBMUJFWSA-N 2 0 343.309 3.070 10 0 EGAERP COc1cccc([C@@H]2[C@@H]([NH2+][C@@H](C)CCCC[NH3+])CCN2C2CC2)c1 ZINC000423037409 309382409 /nfs/dbraw/zinc/38/24/09/309382409.db2.gz BMQXVURLQYBSGQ-RYGJVYDSSA-N 2 0 331.504 3.080 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]CC(C)(C)C2=CCCCC2)CC[NH2+]CC1 ZINC000423051498 309383131 /nfs/dbraw/zinc/38/31/31/309383131.db2.gz NNDBRUQLORMOTK-MRXNPFEDSA-N 2 0 336.520 3.424 10 0 EGAERP c1ccc(C2(C[NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104605 309386145 /nfs/dbraw/zinc/38/61/45/309386145.db2.gz HMNCWBTWCRKKHS-AVRDEDQJSA-N 2 0 349.478 3.349 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]CC2CC(c3ccccc3)C2)CC[NH2+]CC1 ZINC000423117644 309386833 /nfs/dbraw/zinc/38/68/33/309386833.db2.gz WJLBJQULIYPPPC-LRYGQEGESA-N 2 0 344.499 3.091 10 0 EGAERP C[C@@H](CCc1ccc(F)cc1F)[NH2+]CCCNCc1cccnc1 ZINC000423184006 309389559 /nfs/dbraw/zinc/38/95/59/309389559.db2.gz HEVZSADHZOWPCU-HNNXBMFYSA-N 2 0 333.426 3.450 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423257105 309392664 /nfs/dbraw/zinc/39/26/64/309392664.db2.gz HMNOJKSIHXWRLO-AYWYSENESA-N 3 0 327.516 3.161 10 0 EGAERP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423293664 309394354 /nfs/dbraw/zinc/39/43/54/309394354.db2.gz RWACETWYXGXVIA-HUUCEWRRSA-N 2 0 341.455 3.222 10 0 EGAERP C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487243 309402524 /nfs/dbraw/zinc/40/25/24/309402524.db2.gz TZBREYNNDFUFEU-ZIAGYGMSSA-N 2 0 333.867 3.104 10 0 EGAERP Brc1cccc2c1C[C@@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423491306 309402714 /nfs/dbraw/zinc/40/27/14/309402714.db2.gz YYNFJBVGVYUBMQ-GJZGRUSLSA-N 2 0 337.305 3.428 10 0 EGAERP C[C@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCC[NH3+] ZINC000437765986 309798990 /nfs/dbraw/zinc/79/89/90/309798990.db2.gz UHWUZNJHQHTTCH-GFCCVEGCSA-N 2 0 337.261 3.308 10 0 EGAERP Fc1ccc([C@@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cnccn2)cc1 ZINC000447566749 309982604 /nfs/dbraw/zinc/98/26/04/309982604.db2.gz WDWZYJKJWVOMAV-HXUWFJFHSA-N 2 0 340.446 3.169 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449071987 310034724 /nfs/dbraw/zinc/03/47/24/310034724.db2.gz CZRVZQDRAIUNCR-AZUAARDMSA-N 2 0 341.543 3.156 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000449082960 310035602 /nfs/dbraw/zinc/03/56/02/310035602.db2.gz RFOLPDWUAUDISH-BVYCBKJFSA-N 2 0 341.543 3.298 10 0 EGAERP Cc1nccn1CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449093378 310036513 /nfs/dbraw/zinc/03/65/13/310036513.db2.gz WDAPSNBKUHGHHP-GOSISDBHSA-N 2 0 340.515 3.267 10 0 EGAERP CC[N@@H+]1CCC[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449108865 310037723 /nfs/dbraw/zinc/03/77/23/310037723.db2.gz WJQMVXXNTFGYBD-TZIWHRDSSA-N 2 0 343.559 3.404 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449132237 310039241 /nfs/dbraw/zinc/03/92/41/310039241.db2.gz SXEWFHOKYLNEED-UHFFFAOYSA-N 2 0 342.487 3.093 10 0 EGAERP C[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000449133108 310039364 /nfs/dbraw/zinc/03/93/64/310039364.db2.gz CMJKLTFRACNMRZ-ZWKOTPCHSA-N 2 0 329.532 3.154 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000449230686 310046445 /nfs/dbraw/zinc/04/64/45/310046445.db2.gz BAGSZURWTLSGGD-SFHVURJKSA-N 2 0 340.552 3.043 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449734802 310083160 /nfs/dbraw/zinc/08/31/60/310083160.db2.gz DTRXHLMVQDLFRY-ALGQRKQJSA-N 2 0 328.500 3.038 10 0 EGAERP COc1cccc(C[C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459406845 310550427 /nfs/dbraw/zinc/55/04/27/310550427.db2.gz HAPYAOWOSFDCJH-INIZCTEOSA-N 2 0 325.456 3.280 10 0 EGAERP CCc1cccc(F)c1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000474824362 310800184 /nfs/dbraw/zinc/80/01/84/310800184.db2.gz ZIZHFBXRRJCZCE-UHFFFAOYSA-N 2 0 347.522 3.428 10 0 EGAERP Cc1nc2ccc(C[NH2+]C(C)(C)CCN3CC[NH+](C)CC3)cc2s1 ZINC000494843812 311517132 /nfs/dbraw/zinc/51/71/32/311517132.db2.gz BUKZBLPPULDZJP-UHFFFAOYSA-N 2 0 346.544 3.110 10 0 EGAERP CC[C@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684015 312215271 /nfs/dbraw/zinc/21/52/71/312215271.db2.gz OCTFYCHMMPCMQN-TZIWHRDSSA-N 2 0 329.532 3.282 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCCC[C@@H]34)CC23CC3)cc1 ZINC000514602619 312233916 /nfs/dbraw/zinc/23/39/16/312233916.db2.gz IANQUPNKARATHT-ACRUOGEOSA-N 2 0 339.527 3.400 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064486 314022687 /nfs/dbraw/zinc/02/26/87/314022687.db2.gz VINNNWPTFJGDJN-KGLIPLIRSA-N 2 0 327.875 3.156 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000536626110 314132016 /nfs/dbraw/zinc/13/20/16/314132016.db2.gz CXHHNGHKRZFNOV-HUUCEWRRSA-N 2 0 341.902 3.403 10 0 EGAERP CCC1(C[NH2+][C@H]2CN(C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940173 314217914 /nfs/dbraw/zinc/21/79/14/314217914.db2.gz XXBYUPDOCLRXKD-QUCCMNQESA-N 2 0 329.532 3.219 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCO[C@H]1CC(C)C ZINC000548478009 315014943 /nfs/dbraw/zinc/01/49/43/315014943.db2.gz GGJHUOJTWHFUMS-MOPGFXCFSA-N 2 0 328.460 3.259 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2ccccc2n1 ZINC000552244800 315208632 /nfs/dbraw/zinc/20/86/32/315208632.db2.gz LQLLAKIYIRGXMH-SCTDSRPQSA-N 2 0 325.456 3.206 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@@H]2CCC[C@H]21 ZINC000552245402 315208725 /nfs/dbraw/zinc/20/87/25/315208725.db2.gz ZJOJGCVZRUEPPF-XGXHKWSGSA-N 2 0 333.907 3.381 10 0 EGAERP C[NH+](C)CCCCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000552370157 315216647 /nfs/dbraw/zinc/21/66/47/315216647.db2.gz UUHABDCZBOFGQG-UHFFFAOYSA-N 2 0 331.504 3.021 10 0 EGAERP COc1ccccc1-c1nc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cs1 ZINC000564578198 316170327 /nfs/dbraw/zinc/17/03/27/316170327.db2.gz VPPMLZOUTIVWGX-GASCZTMLSA-N 2 0 343.496 3.250 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+]C3CCCC3)C3(C2)CCOCC3)cc1 ZINC000565763612 316366645 /nfs/dbraw/zinc/36/66/45/316366645.db2.gz GTWKAQQFMPAVDC-IBGZPJMESA-N 2 0 328.500 3.447 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000566095189 316415478 /nfs/dbraw/zinc/41/54/78/316415478.db2.gz CXLILVLKJYEGSF-GUDVDZBRSA-N 2 0 335.536 3.055 10 0 EGAERP c1ccc(OCCCC[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1 ZINC000572297616 317317693 /nfs/dbraw/zinc/31/76/93/317317693.db2.gz HIKDLHSEQDXPAM-UHFFFAOYSA-N 2 0 346.515 3.280 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOC[C@@H]2CCCO2)CC1 ZINC000574268136 317579102 /nfs/dbraw/zinc/57/91/02/317579102.db2.gz VHARUTBNFJDOFM-SFHVURJKSA-N 2 0 340.552 3.451 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[N@@H+]1CC[C@H]([C@H](C)[NH3+])C1 ZINC000225435007 456082311 /nfs/dbraw/zinc/08/23/11/456082311.db2.gz LLULCWNESNCMDO-MDZLAQPJSA-N 2 0 329.257 3.188 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O1 ZINC000398032576 324295906 /nfs/dbraw/zinc/29/59/06/324295906.db2.gz OBLNSSBICIKZJH-JRGCBEDISA-N 2 0 336.479 3.490 10 0 EGAERP C[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006906 325049608 /nfs/dbraw/zinc/04/96/08/325049608.db2.gz RUZYGKJXWXTQHW-WMZOPIPTSA-N 2 0 343.515 3.076 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000579627490 325137251 /nfs/dbraw/zinc/13/72/51/325137251.db2.gz ZZVIJEBTCLQVCY-KRWDZBQOSA-N 2 0 329.488 3.199 10 0 EGAERP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000580588976 325271438 /nfs/dbraw/zinc/27/14/38/325271438.db2.gz ZFUOEPFIVICZSD-WLRLJWMZSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@H](CCc1cccc(F)c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183271460 455266058 /nfs/dbraw/zinc/26/60/58/455266058.db2.gz IAWPLQWMYRNBJH-NQIIRXRSSA-N 2 0 347.522 3.249 10 0 EGAERP CC(C)CC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000158117617 455271248 /nfs/dbraw/zinc/27/12/48/455271248.db2.gz OTLLQWKFMKZRJG-SFHVURJKSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265475442 455331521 /nfs/dbraw/zinc/33/15/21/455331521.db2.gz JCXLWRUGDGIAFD-CQSZACIVSA-N 2 0 349.438 3.165 10 0 EGAERP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2)nc1 ZINC000631890784 460590450 /nfs/dbraw/zinc/59/04/50/460590450.db2.gz VGRZEYMGVKMCJZ-RXVVDRJESA-N 2 0 337.467 3.235 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccco2)CC1 ZINC000088669539 454116307 /nfs/dbraw/zinc/11/63/07/454116307.db2.gz OFEMDFHJHQIENF-UHFFFAOYSA-N 2 0 327.472 3.144 10 0 EGAERP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000623618780 460644077 /nfs/dbraw/zinc/64/40/77/460644077.db2.gz DOZFNCIAWKCUPW-AQNXPRMDSA-N 2 0 343.515 3.032 10 0 EGAERP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)[C@H]21 ZINC000634997862 460645200 /nfs/dbraw/zinc/64/52/00/460645200.db2.gz UXPOAHJINDYOIG-UJRIPESDSA-N 2 0 347.300 3.065 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCc3c2cccc3Cl)CC1 ZINC000152661596 454707949 /nfs/dbraw/zinc/70/79/49/454707949.db2.gz UBYHMXLLTJLVII-IFXJQAMLSA-N 2 0 336.907 3.352 10 0 EGAERP Cc1cn2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c(C)nc2s1 ZINC000152684429 454712807 /nfs/dbraw/zinc/71/28/07/454712807.db2.gz FUINNMZWSTWAMH-UHFFFAOYSA-N 2 0 332.517 3.320 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)[C@H](C)C1 ZINC000093638831 454725422 /nfs/dbraw/zinc/72/54/22/454725422.db2.gz QIIGHZROBPETGM-RHSMWYFYSA-N 2 0 326.431 3.493 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@H+](C)C[C@H]3C)c2)C[C@@H](C)O1 ZINC000108378921 454796418 /nfs/dbraw/zinc/79/64/18/454796418.db2.gz WOFXDOOSGVKORC-WOCWXWTJSA-N 2 0 331.504 3.048 10 0 EGAERP CCc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000177771600 454902131 /nfs/dbraw/zinc/90/21/31/454902131.db2.gz YVVCHQGDNLTXCL-OAQYLSRUSA-N 2 0 342.483 3.377 10 0 EGAERP COCCN1CCC([NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154854357 454936243 /nfs/dbraw/zinc/93/62/43/454936243.db2.gz PULCDQSWLRBNFX-IBGZPJMESA-N 2 0 332.488 3.218 10 0 EGAERP COC[C@H](NCc1cccnc1-n1ccnc1)c1ccc(F)c(F)c1 ZINC000182355326 455496054 /nfs/dbraw/zinc/49/60/54/455496054.db2.gz AGQOWJFUFVUXDM-KRWDZBQOSA-N 2 0 344.365 3.023 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929298 455050133 /nfs/dbraw/zinc/05/01/33/455050133.db2.gz CUSVKPCVTSSBKV-LPHOPBHVSA-N 2 0 328.456 3.376 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)c1ccc(C)cn1 ZINC000623648477 460658959 /nfs/dbraw/zinc/65/89/59/460658959.db2.gz LXURZQFGAWOYBI-UHFFFAOYSA-N 2 0 335.455 3.347 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180103887 455133118 /nfs/dbraw/zinc/13/31/18/455133118.db2.gz ALJBVAXOOVHTPK-OTYNDTSQSA-N 2 0 327.516 3.256 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCC[NH+]2CCCCC2)C3)cc1 ZINC000180173634 455144314 /nfs/dbraw/zinc/14/43/14/455144314.db2.gz YYMZDVMPTACOEP-SEJPIABJSA-N 2 0 327.516 3.258 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2c(C)cc(C)cc2C)[C@@H](C)C1 ZINC000245434104 455298399 /nfs/dbraw/zinc/29/83/99/455298399.db2.gz PPCLXANQPDVCPV-ROUUACIJSA-N 2 0 331.504 3.212 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000265942546 455410863 /nfs/dbraw/zinc/41/08/63/455410863.db2.gz IHAMQOFAZAPRMQ-YLJYHZDGSA-N 2 0 343.515 3.085 10 0 EGAERP C[C@H](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCC1 ZINC000182253822 455472612 /nfs/dbraw/zinc/47/26/12/455472612.db2.gz FLOPTJSRROEPMZ-GOSISDBHSA-N 2 0 343.515 3.277 10 0 EGAERP CCc1nccn1[C@H]1CCCN(CC(=O)N[C@H](C)c2cccs2)C1 ZINC000247143996 455566201 /nfs/dbraw/zinc/56/62/01/455566201.db2.gz LCWUQBBINJYJSJ-CABCVRRESA-N 2 0 346.500 3.021 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000248119477 455682354 /nfs/dbraw/zinc/68/23/54/455682354.db2.gz NEGMABQUABPCEO-RXYDEIHYSA-N 2 0 335.561 3.449 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000268989285 455755443 /nfs/dbraw/zinc/75/54/43/455755443.db2.gz GOKYCUSPAKTDIN-ATZDWAIDSA-N 2 0 330.497 3.282 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)c3ccc(F)cc3F)C2)[nH+]1 ZINC000249891657 455781071 /nfs/dbraw/zinc/78/10/71/455781071.db2.gz QORMTGOJQAYYJG-RDTXWAMCSA-N 2 0 347.409 3.136 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000269103909 455789878 /nfs/dbraw/zinc/78/98/78/455789878.db2.gz USDBAGXGVKUSDJ-COPCDDAFSA-N 2 0 338.495 3.263 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000252696158 455828437 /nfs/dbraw/zinc/82/84/37/455828437.db2.gz MYPXKOLKLMRJMX-RLLQIKCJSA-N 2 0 333.520 3.069 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588100 455875680 /nfs/dbraw/zinc/87/56/80/455875680.db2.gz JCQKQQNZVPTQLI-RXVVDRJESA-N 2 0 339.483 3.305 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000261627414 455916050 /nfs/dbraw/zinc/91/60/50/455916050.db2.gz VKVQJJSQXMALRJ-SUNKGSAMSA-N 2 0 327.266 3.106 10 0 EGAERP Nc1cc[nH+]cc1-c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1 ZINC000261630975 455917067 /nfs/dbraw/zinc/91/70/67/455917067.db2.gz CNMPEENTUPAJHC-UHFFFAOYSA-N 2 0 335.411 3.367 10 0 EGAERP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)cc1 ZINC000261953332 455977839 /nfs/dbraw/zinc/97/78/39/455977839.db2.gz OPPKJKGSRFYMRS-XUVXKRRUSA-N 2 0 330.516 3.273 10 0 EGAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000617012680 460709003 /nfs/dbraw/zinc/70/90/03/460709003.db2.gz FXWAKBFBEMAHCR-AWEZNQCLSA-N 2 0 343.471 3.097 10 0 EGAERP C[C@@H]1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C[C@@H](C)O1 ZINC000221763327 456043806 /nfs/dbraw/zinc/04/38/06/456043806.db2.gz UUYSRAQLRODBNB-UNWOCNEZSA-N 2 0 328.500 3.443 10 0 EGAERP Cc1cc(N2CC[NH+](C3CC3)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000301344806 456095338 /nfs/dbraw/zinc/09/53/38/456095338.db2.gz HXHHXLYLZMXVPZ-UHFFFAOYSA-N 2 0 333.382 3.429 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000281104441 456135201 /nfs/dbraw/zinc/13/52/01/456135201.db2.gz RBJIRACSNKUOCS-NXHRZFHOSA-N 2 0 348.487 3.009 10 0 EGAERP CCCc1cc(N2CC[NH+]([C@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000301804468 456219091 /nfs/dbraw/zinc/21/90/91/456219091.db2.gz UVTCPDHXMFCKKP-QGZVFWFLSA-N 2 0 327.472 3.080 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823507 456340645 /nfs/dbraw/zinc/34/06/45/456340645.db2.gz NPSWDTIJGVPFDC-ICSRJNTNSA-N 2 0 342.531 3.176 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000340374424 456421800 /nfs/dbraw/zinc/42/18/00/456421800.db2.gz LJTVOJLHRAECPC-AQNXPRMDSA-N 2 0 343.515 3.059 10 0 EGAERP O=C(CN1CCC[C@H](c2ncc3n2CCCC3)C1)Nc1ccccc1 ZINC000282157642 456428493 /nfs/dbraw/zinc/42/84/93/456428493.db2.gz TZSVRGWBOYTDKP-INIZCTEOSA-N 2 0 338.455 3.038 10 0 EGAERP CC1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000340458838 456472712 /nfs/dbraw/zinc/47/27/12/456472712.db2.gz AXLPCCIRRAROEH-SYYJFZTOSA-N 2 0 328.500 3.303 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)C[C@@H](C)O1 ZINC000657825742 462285723 /nfs/dbraw/zinc/28/57/23/462285723.db2.gz BUMUWPLFETYDOK-MBOZVWFJSA-N 2 0 344.499 3.097 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000657898735 462310674 /nfs/dbraw/zinc/31/06/74/462310674.db2.gz REDRQQYYXACWNR-LJQANCHMSA-N 2 0 338.536 3.205 10 0 EGAERP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)n1 ZINC000353408589 456681344 /nfs/dbraw/zinc/68/13/44/456681344.db2.gz ZORRHSRZAMTFNU-QKNQBKEWSA-N 2 0 338.499 3.452 10 0 EGAERP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000341304094 456837594 /nfs/dbraw/zinc/83/75/94/456837594.db2.gz STRYMGAWJMRMGH-SFHVURJKSA-N 2 0 349.906 3.124 10 0 EGAERP Cn1cc([C@@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C(C)(C)C)cn1 ZINC000341317226 456843722 /nfs/dbraw/zinc/84/37/22/456843722.db2.gz VDHNLRLJHHWGOL-LJQANCHMSA-N 2 0 341.503 3.157 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1(C(=O)OC)CCC1 ZINC000354085238 457051533 /nfs/dbraw/zinc/05/15/33/457051533.db2.gz HJFSKMREHWGPTP-QGZVFWFLSA-N 2 0 336.451 3.099 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H]1C ZINC000354425574 457214480 /nfs/dbraw/zinc/21/44/80/457214480.db2.gz JTCYXLKBCGXYQR-PXNSSMCTSA-N 2 0 343.515 3.227 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000354477016 457247745 /nfs/dbraw/zinc/24/77/45/457247745.db2.gz MQJXYNFCZWIILX-UHFFFAOYSA-N 2 0 347.894 3.131 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000354507536 457262248 /nfs/dbraw/zinc/26/22/48/457262248.db2.gz LKHNJBATAPDQKN-GOSISDBHSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000347226094 457299041 /nfs/dbraw/zinc/29/90/41/457299041.db2.gz MDAZXNJQSTWSTN-PBHICJAKSA-N 2 0 339.911 3.083 10 0 EGAERP C[C@H]1CC(C)(C)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397554951 457487895 /nfs/dbraw/zinc/48/78/95/457487895.db2.gz KVVSYUPLVDGHIU-PKOBYXMFSA-N 2 0 330.516 3.428 10 0 EGAERP OC1(C[NH2+]Cc2ccccc2Cl)CC[NH+](Cc2ccccc2)CC1 ZINC000397624639 457490019 /nfs/dbraw/zinc/49/00/19/457490019.db2.gz KCVDAECDRGCPPX-UHFFFAOYSA-N 2 0 344.886 3.457 10 0 EGAERP Cc1nccn1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000370810908 457722694 /nfs/dbraw/zinc/72/26/94/457722694.db2.gz RPMDJPYQMJHTCO-SEJPIABJSA-N 2 0 338.499 3.367 10 0 EGAERP C[C@@H](CCC1CCCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358065850 457763122 /nfs/dbraw/zinc/76/31/22/457763122.db2.gz SUKUCONSORQSPB-KRWDZBQOSA-N 2 0 345.531 3.427 10 0 EGAERP C[N@H+](CCc1ccccn1)[C@H]1CCC[NH+](CCc2ccccn2)CC1 ZINC000411402350 457874677 /nfs/dbraw/zinc/87/46/77/457874677.db2.gz PSPOUOWOGDRGTM-NRFANRHFSA-N 2 0 338.499 3.048 10 0 EGAERP CN1CC[C@@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@@H]1c1ccccc1 ZINC000411701727 457954605 /nfs/dbraw/zinc/95/46/05/457954605.db2.gz YHVFOQNOSUMKTI-CTNGQTDRSA-N 2 0 343.515 3.108 10 0 EGAERP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000445259861 458033413 /nfs/dbraw/zinc/03/34/13/458033413.db2.gz JALIACWWOGXELR-PGRDOPGGSA-N 2 0 341.543 3.338 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000375860046 458099339 /nfs/dbraw/zinc/09/93/39/458099339.db2.gz GJBZOVVSBONVJN-KZNAEPCWSA-N 2 0 332.488 3.099 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428337091 458123353 /nfs/dbraw/zinc/12/33/53/458123353.db2.gz GOWGJZXNTLHRIF-UWJYYQICSA-N 2 0 345.531 3.324 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)Nc2cccc3c2OCC[C@@H]3[NH+](C)C)CC1 ZINC000447724360 458334652 /nfs/dbraw/zinc/33/46/52/458334652.db2.gz VNEYPQCPJBQAEZ-SFHVURJKSA-N 2 0 345.487 3.131 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000423500354 458444514 /nfs/dbraw/zinc/44/45/14/458444514.db2.gz BRTTUIIMALFFEG-LBXVMSDZSA-N 2 0 327.516 3.215 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc2ccccc2o1 ZINC000423502496 458445163 /nfs/dbraw/zinc/44/51/63/458445163.db2.gz FBSTZTPGOBZDHD-FAEJEUNOSA-N 2 0 327.472 3.300 10 0 EGAERP C[C@H](Cc1coc2ccccc12)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423506850 458445757 /nfs/dbraw/zinc/44/57/57/458445757.db2.gz IXXGSPFDTOEFAD-IPJUCJBFSA-N 2 0 341.499 3.170 10 0 EGAERP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519318 458449694 /nfs/dbraw/zinc/44/96/94/458449694.db2.gz PQONCFADYMGQDO-KMEYYKJISA-N 2 0 327.516 3.349 10 0 EGAERP c1ccc2c(c1)CCCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523125 458451668 /nfs/dbraw/zinc/45/16/68/458451668.db2.gz VPCSFWZHYCUGLT-GRERDSQWSA-N 2 0 327.516 3.260 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000423553192 458457101 /nfs/dbraw/zinc/45/71/01/458457101.db2.gz VWJDUEYHTKAVPC-YZLZLFLDSA-N 2 0 336.483 3.227 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000430680410 458479971 /nfs/dbraw/zinc/47/99/71/458479971.db2.gz SKUMMXNLLISDOO-YZGWKJHDSA-N 2 0 343.515 3.030 10 0 EGAERP CCC[NH+]1CCC(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373485087 458506236 /nfs/dbraw/zinc/50/62/36/458506236.db2.gz NCTLQBQYVGNJKJ-UHFFFAOYSA-N 2 0 347.469 3.256 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562323 458589522 /nfs/dbraw/zinc/58/95/22/458589522.db2.gz BVEPJWDBZIRATI-UXHICEINSA-N 2 0 345.531 3.450 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1ccccc1)[NH+]1CCCC1 ZINC000431570131 458591212 /nfs/dbraw/zinc/59/12/12/458591212.db2.gz LQQXSFIDHWHSDM-PMACEKPBSA-N 2 0 343.515 3.204 10 0 EGAERP C[NH+](C)CC1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000431835153 458632452 /nfs/dbraw/zinc/63/24/52/458632452.db2.gz XBQWUAUVWYKUCU-FAFZWHIHSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)C[C@H](N[C@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000530227397 458722694 /nfs/dbraw/zinc/72/26/94/458722694.db2.gz XDKRQGOXXVXMFA-XEZPLFJOSA-N 2 0 330.303 3.456 10 0 EGAERP [NH3+]C[C@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530225468 458723174 /nfs/dbraw/zinc/72/31/74/458723174.db2.gz ZXEZFMYVRZDZML-OTYXRUKQSA-N 2 0 333.220 3.334 10 0 EGAERP Cc1cc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc2cccnc12 ZINC000530248136 458730760 /nfs/dbraw/zinc/73/07/60/458730760.db2.gz GYFLEORLLDSQQK-FQEVSTJZSA-N 2 0 339.483 3.134 10 0 EGAERP c1nc(C2CCC2)sc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247625 458730878 /nfs/dbraw/zinc/73/08/78/458730878.db2.gz BDZQWEQQABUQLJ-INIZCTEOSA-N 2 0 335.517 3.001 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494885839 458762014 /nfs/dbraw/zinc/76/20/14/458762014.db2.gz KDRDTKFKRAJQBN-LPHOPBHVSA-N 2 0 343.515 3.065 10 0 EGAERP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349426 458924805 /nfs/dbraw/zinc/92/48/05/458924805.db2.gz SUAFVXOVEJTQCG-SSZFMOIBSA-N 2 0 335.923 3.359 10 0 EGAERP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566799668 459002913 /nfs/dbraw/zinc/00/29/13/459002913.db2.gz IXMHUCJBUDWXFG-CABCVRRESA-N 2 0 330.451 3.017 10 0 EGAERP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC ZINC000556868432 459024581 /nfs/dbraw/zinc/02/45/81/459024581.db2.gz PSILRYMRTHDLAN-IPMKNSEASA-N 2 0 346.515 3.489 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000443069615 459084624 /nfs/dbraw/zinc/08/46/24/459084624.db2.gz NDNXIBWDRNLQDP-HXUWFJFHSA-N 2 0 331.548 3.432 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000594585170 459098104 /nfs/dbraw/zinc/09/81/04/459098104.db2.gz QKWANSKTEZSICI-UONOGXRCSA-N 2 0 346.462 3.111 10 0 EGAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514664 459104936 /nfs/dbraw/zinc/10/49/36/459104936.db2.gz MTLAZMIZKIKUSG-DNVCBOLYSA-N 2 0 335.923 3.092 10 0 EGAERP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(N2CCOCC2)c1 ZINC000567604044 459132393 /nfs/dbraw/zinc/13/23/93/459132393.db2.gz WIIIEUOTUPGLSK-QGZVFWFLSA-N 2 0 331.504 3.226 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496400716 459179526 /nfs/dbraw/zinc/17/95/26/459179526.db2.gz GJGHZOIXRWHWNN-NUWOQIAWSA-N 2 0 339.524 3.094 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000594940312 459184695 /nfs/dbraw/zinc/18/46/95/459184695.db2.gz ZMEPOWHOOPRPDC-MEBIHWHUSA-N 2 0 344.499 3.074 10 0 EGAERP COC(=O)c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c(C)o1 ZINC000533098983 459188004 /nfs/dbraw/zinc/18/80/04/459188004.db2.gz ASRSGNRQMOTUOT-UHFFFAOYSA-N 2 0 348.487 3.463 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C1 ZINC000560531370 459367495 /nfs/dbraw/zinc/36/74/95/459367495.db2.gz XRWYPMRYKCWAFS-OBJCFNGXSA-N 2 0 327.516 3.284 10 0 EGAERP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)[NH+](C)C)cc1 ZINC000560531866 459368010 /nfs/dbraw/zinc/36/80/10/459368010.db2.gz FWQYRBIEWUCNLC-BQJUDKOJSA-N 2 0 329.532 3.314 10 0 EGAERP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000560539363 459369491 /nfs/dbraw/zinc/36/94/91/459369491.db2.gz IKTRBRWSPJODBJ-ZCNNSNEGSA-N 2 0 346.515 3.373 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](C[C@H](O)Cc2cccc(Cl)c2)CC1 ZINC000561346607 459445863 /nfs/dbraw/zinc/44/58/63/459445863.db2.gz GRJWSFQYGGEDHL-LJQANCHMSA-N 2 0 338.923 3.297 10 0 EGAERP C[NH+](C)[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380940 459529206 /nfs/dbraw/zinc/52/92/06/459529206.db2.gz NTZIASFJKJQXDH-VQTJNVASSA-N 2 0 327.516 3.113 10 0 EGAERP C[NH+](C)CCC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000526083450 459544421 /nfs/dbraw/zinc/54/44/21/459544421.db2.gz CLIVIPNGXOSWKE-UHFFFAOYSA-N 2 0 326.488 3.095 10 0 EGAERP C[C@H]1C[NH+](CCOc2ccc(CC[NH2+]CC3(F)CC3)cc2)C[C@@H]1C ZINC000527232809 459611853 /nfs/dbraw/zinc/61/18/53/459611853.db2.gz BYJQVHVXEOCOPA-IRXDYDNUSA-N 2 0 334.479 3.287 10 0 EGAERP Fc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000573090839 459624563 /nfs/dbraw/zinc/62/45/63/459624563.db2.gz MSPQBLURKPAERQ-INIZCTEOSA-N 2 0 346.368 3.342 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCC23CCCCC3)CC[NH2+]CC1 ZINC000596648911 459713424 /nfs/dbraw/zinc/71/34/24/459713424.db2.gz BECWSDMSRCBOEB-DLBZAZTESA-N 2 0 336.520 3.400 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3c(C)cccc32)CC[NH2+]CC1 ZINC000596651999 459714773 /nfs/dbraw/zinc/71/47/73/459714773.db2.gz DXAZAJFVAKSOQS-LPHOPBHVSA-N 2 0 344.499 3.283 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809926 459745938 /nfs/dbraw/zinc/74/59/38/459745938.db2.gz UKVSDCMPBRYAJC-BLIXFSHQSA-N 2 0 349.478 3.238 10 0 EGAERP Clc1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc2c1OCCO2 ZINC000527811218 459747231 /nfs/dbraw/zinc/74/72/31/459747231.db2.gz XHNXBMQNSZCLNX-OAHLLOKOSA-N 2 0 336.863 3.218 10 0 EGAERP CC(C)(C[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(=O)N1CCCC1 ZINC000527813811 459749274 /nfs/dbraw/zinc/74/92/74/459749274.db2.gz VNRKECVRQIFHLU-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573926831 459758218 /nfs/dbraw/zinc/75/82/18/459758218.db2.gz ICRDPXASUKZXQN-JOCHJYFZSA-N 2 0 338.495 3.351 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008525 459794177 /nfs/dbraw/zinc/79/41/77/459794177.db2.gz FKBSMTPVYJYVDG-PXNSSMCTSA-N 2 0 345.531 3.295 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000528010524 459796050 /nfs/dbraw/zinc/79/60/50/459796050.db2.gz ZCYBCWZXYGFHNS-IVPXXNPKSA-N 2 0 330.516 3.484 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](CCCC(=O)OC)C1 ZINC000593323598 459842477 /nfs/dbraw/zinc/84/24/77/459842477.db2.gz QTHRGBWIRPOQLS-VQIMIIECSA-N 2 0 332.488 3.398 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000593323596 459842613 /nfs/dbraw/zinc/84/26/13/459842613.db2.gz QTHRGBWIRPOQLS-LPHOPBHVSA-N 2 0 332.488 3.398 10 0 EGAERP C[NH+]1CCC2(CCC[N@@H+]2Cc2ccnn2CCc2ccccc2)CC1 ZINC000621723676 460029439 /nfs/dbraw/zinc/02/94/39/460029439.db2.gz NRHQURYMWAKIJT-UHFFFAOYSA-N 2 0 338.499 3.186 10 0 EGAERP O=C(Nc1cnn(-c2cc[nH+]cc2)c1)c1cccc(C[NH+]2CCCC2)c1 ZINC000589130876 460035875 /nfs/dbraw/zinc/03/58/75/460035875.db2.gz FNUNJUVXNAVDCO-UHFFFAOYSA-N 2 0 347.422 3.115 10 0 EGAERP CCn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000621775031 460059985 /nfs/dbraw/zinc/05/99/85/460059985.db2.gz DBSYJIUFRWQURE-PZJWPPBQSA-N 2 0 340.515 3.118 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625224274 460078801 /nfs/dbraw/zinc/07/88/01/460078801.db2.gz SAIHMSUNTDGWDL-SFHVURJKSA-N 2 0 338.536 3.159 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cncc(OC)n2)CC1)CC(C)C ZINC000625280278 460104646 /nfs/dbraw/zinc/10/46/46/460104646.db2.gz GAQHQPJGYQLWAY-UHFFFAOYSA-N 2 0 334.508 3.065 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599069214 460150488 /nfs/dbraw/zinc/15/04/88/460150488.db2.gz DCJLWHMTIIHNQO-KXBFYZLASA-N 2 0 330.472 3.172 10 0 EGAERP CCO[C@@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000625424386 460169661 /nfs/dbraw/zinc/16/96/61/460169661.db2.gz UVTSPDPPYYQRNB-SFTDATJTSA-N 2 0 328.500 3.400 10 0 EGAERP FCCC[NH+]1CCN(Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000626069641 460362210 /nfs/dbraw/zinc/36/22/10/460362210.db2.gz DLGIDCURFWGSEW-UHFFFAOYSA-N 2 0 333.495 3.150 10 0 EGAERP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@H](O)CN(C)Cc1ccccc1 ZINC000603968494 460365670 /nfs/dbraw/zinc/36/56/70/460365670.db2.gz XATBXPLCXSJRKY-IFMALSPDSA-N 2 0 338.495 3.489 10 0 EGAERP CN(C)[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1c(F)cccc1F ZINC000623420918 460539935 /nfs/dbraw/zinc/53/99/35/460539935.db2.gz SKXJATKAVMAWQM-CZUORRHYSA-N 2 0 325.447 3.030 10 0 EGAERP COc1cccc(N2CCC[C@@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423830 460540707 /nfs/dbraw/zinc/54/07/07/460540707.db2.gz TVZYSCXMNCVMKX-DLBZAZTESA-N 2 0 331.504 3.126 10 0 EGAERP COc1cccc(N2CCC[C@@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423831 460541090 /nfs/dbraw/zinc/54/10/90/460541090.db2.gz TVZYSCXMNCVMKX-IAGOWNOFSA-N 2 0 331.504 3.126 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423832 460541406 /nfs/dbraw/zinc/54/14/06/460541406.db2.gz TVZYSCXMNCVMKX-IRXDYDNUSA-N 2 0 331.504 3.126 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623932044 460785126 /nfs/dbraw/zinc/78/51/26/460785126.db2.gz WWBZKPKLKWTXQU-HXUWFJFHSA-N 2 0 344.547 3.109 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000629528209 460795467 /nfs/dbraw/zinc/79/54/67/460795467.db2.gz SQTRTGLYWHXIME-AFDCHOCNSA-N 2 0 327.516 3.160 10 0 EGAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629537532 460799663 /nfs/dbraw/zinc/79/96/63/460799663.db2.gz HYCYWGFQCCLWJF-PPQDBTBKSA-N 2 0 327.516 3.160 10 0 EGAERP C[C@@H]([NH2+]CCOCCC[NH3+])[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000629538672 460801288 /nfs/dbraw/zinc/80/12/88/460801288.db2.gz MTVJIGQEFWSFCJ-NEPJUHHUSA-N 2 0 335.275 3.104 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629538722 460801641 /nfs/dbraw/zinc/80/16/41/460801641.db2.gz OMZHLEQKKKYKER-GDBMZVCRSA-N 2 0 330.394 3.297 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(-c2ccccc2)ccc1OC ZINC000629655449 460849190 /nfs/dbraw/zinc/84/91/90/460849190.db2.gz WYDFDWJCYOWZSJ-UHFFFAOYSA-N 2 0 328.456 3.030 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000608061886 460973936 /nfs/dbraw/zinc/97/39/36/460973936.db2.gz CBQNIBPDWIZQJB-HNNXBMFYSA-N 2 0 332.488 3.230 10 0 EGAERP Cc1cc2c(c(-c3ccccc3C[NH+]3CCN(C)CC3)c1)C[NH2+]CC2 ZINC000630053528 461011070 /nfs/dbraw/zinc/01/10/70/461011070.db2.gz QOBBEHUYHFJWSL-UHFFFAOYSA-N 2 0 335.495 3.055 10 0 EGAERP C[C@]1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCCS1 ZINC000628205363 461048620 /nfs/dbraw/zinc/04/86/20/461048620.db2.gz MHRHWGJHYJUVSC-HXUWFJFHSA-N 2 0 347.572 3.464 10 0 EGAERP O=C(C[N@@H+]1CCC[C@H](C2CCCCC2)C1)NC1CC[NH+](C2CC2)CC1 ZINC000662199899 461113673 /nfs/dbraw/zinc/11/36/73/461113673.db2.gz BHBHQIWSWHCRJG-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652361803 461154997 /nfs/dbraw/zinc/15/49/97/461154997.db2.gz PMWWWNYTYWRGHV-ZVDOUQERSA-N 2 0 346.515 3.433 10 0 EGAERP COC[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)c(F)c1 ZINC000662284548 461165330 /nfs/dbraw/zinc/16/53/30/461165330.db2.gz ZBPOJHYBTFIMEO-IBGZPJMESA-N 2 0 332.394 3.088 10 0 EGAERP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283813 461165529 /nfs/dbraw/zinc/16/55/29/461165529.db2.gz VOTIXGZRFOLPGX-FXAWDEMLSA-N 2 0 340.442 3.220 10 0 EGAERP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293664 461170821 /nfs/dbraw/zinc/17/08/21/461170821.db2.gz HNVXQROFHNJKKQ-GOEBONIOSA-N 2 0 349.906 3.379 10 0 EGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1 ZINC000662319402 461190444 /nfs/dbraw/zinc/19/04/44/461190444.db2.gz MHWLAFXUNPNGTI-IBGZPJMESA-N 2 0 334.504 3.115 10 0 EGAERP Cc1cc(C)cc(OCCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319009 461190625 /nfs/dbraw/zinc/19/06/25/461190625.db2.gz IWGONZJJBKEMBR-LJQANCHMSA-N 2 0 334.504 3.115 10 0 EGAERP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)C1([NH2+]C2CC2)CCC1 ZINC000662690780 461347186 /nfs/dbraw/zinc/34/71/86/461347186.db2.gz CNGYYFMONOTHFQ-UHFFFAOYSA-N 2 0 341.499 3.328 10 0 EGAERP CC(C)[C@H](O)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000668690114 461385037 /nfs/dbraw/zinc/38/50/37/461385037.db2.gz STOIZNXXYQUYDQ-UXHICEINSA-N 2 0 336.439 3.115 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000655805623 461466170 /nfs/dbraw/zinc/46/61/70/461466170.db2.gz QGLZIZZFXFLLQF-RWMBFGLXSA-N 2 0 341.293 3.449 10 0 EGAERP COc1ccc(C(C)C)cc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000655941114 461548087 /nfs/dbraw/zinc/54/80/87/461548087.db2.gz MMBWIORCGUIHSM-QUCCMNQESA-N 2 0 332.488 3.147 10 0 EGAERP CC(C)C[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccncc1 ZINC000647282290 461608523 /nfs/dbraw/zinc/60/85/23/461608523.db2.gz LXDHVYTXHNLZLJ-UXHICEINSA-N 2 0 332.536 3.030 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647287948 461612884 /nfs/dbraw/zinc/61/28/84/461612884.db2.gz ZHLMZIAWPCFXOR-QUCCMNQESA-N 2 0 332.536 3.032 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1)CC(C)C ZINC000660171691 461620121 /nfs/dbraw/zinc/62/01/21/461620121.db2.gz LNNQLSCNONDHHG-QGZVFWFLSA-N 2 0 332.479 3.491 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCCO[C@@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344500 461647648 /nfs/dbraw/zinc/64/76/48/461647648.db2.gz RUILRBGNIRJGDA-OBKDMQGPSA-N 2 0 328.500 3.125 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000647344164 461648221 /nfs/dbraw/zinc/64/82/21/461648221.db2.gz KQZBNSMDMJOGNW-BCRJPVCJSA-N 2 0 328.500 3.125 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000643255212 461651843 /nfs/dbraw/zinc/65/18/43/461651843.db2.gz ARNBNRDSSRTZDM-OAQYLSRUSA-N 2 0 327.516 3.166 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479403 461725310 /nfs/dbraw/zinc/72/53/10/461725310.db2.gz GDFDJAARDWJIMN-IEZWGBDMSA-N 2 0 334.479 3.477 10 0 EGAERP 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ZINC000656781945 461892681 /nfs/dbraw/zinc/89/26/81/461892681.db2.gz ANEXJIGNNIWUPO-OAHLLOKOSA-N 2 0 338.293 3.056 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1([NH3+])CCCC1 ZINC000656788700 461897101 /nfs/dbraw/zinc/89/71/01/461897101.db2.gz BNKODYULTSVAFS-LLVKDONJSA-N 2 0 329.257 3.380 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706897 461900210 /nfs/dbraw/zinc/90/02/10/461900210.db2.gz VFCGRZNIPRYJGM-QKNQBKEWSA-N 2 0 344.499 3.194 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCCOc3ccccc3)C2)C1 ZINC000650708098 461901708 /nfs/dbraw/zinc/90/17/08/461901708.db2.gz SYPAEVYFHDSCQW-GGPKGHCWSA-N 2 0 332.488 3.064 10 0 EGAERP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647977548 461919688 /nfs/dbraw/zinc/91/96/88/461919688.db2.gz DDTLTYYYMRVUNX-SJORKVTESA-N 2 0 342.462 3.223 10 0 EGAERP CC(C)N1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647992624 461927016 /nfs/dbraw/zinc/92/70/16/461927016.db2.gz SYUPRCZAGTXHSA-JEBQAFNWSA-N 2 0 339.886 3.202 10 0 EGAERP CC[C@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657387738 462090029 /nfs/dbraw/zinc/09/00/29/462090029.db2.gz ZLPIMKGKXVFWDY-UXHICEINSA-N 2 0 346.515 3.215 10 0 EGAERP Fc1cc(F)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1F ZINC000657535879 462171181 /nfs/dbraw/zinc/17/11/81/462171181.db2.gz SOBRPNSJMMMGLF-UHFFFAOYSA-N 2 0 342.405 3.085 10 0 EGAERP c1cc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)ccc2cn1 ZINC000657537458 462171917 /nfs/dbraw/zinc/17/19/17/462171917.db2.gz LPZPDYYVGUGBNA-UHFFFAOYSA-N 2 0 339.483 3.215 10 0 EGAERP C[C@@]1(c2ccccc2)CN(Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667622671 462178252 /nfs/dbraw/zinc/17/82/52/462178252.db2.gz WCIOUEZQFQWCFJ-FQEVSTJZSA-N 2 0 334.423 3.015 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594617 462196770 /nfs/dbraw/zinc/19/67/70/462196770.db2.gz CIBPFXZDLNPZAJ-DQLDELGASA-N 2 0 328.500 3.335 10 0 EGAERP Cc1ccccc1C[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597007 462198948 /nfs/dbraw/zinc/19/89/48/462198948.db2.gz QPRIOYWCGMNBEV-GCJKJVERSA-N 2 0 338.495 3.282 10 0 EGAERP C[C@H]([C@@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667707870 462224779 /nfs/dbraw/zinc/22/47/79/462224779.db2.gz LJORROZFBQONGE-QRWLVFNGSA-N 2 0 334.423 3.091 10 0 EGAERP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000648745128 462258623 /nfs/dbraw/zinc/25/86/23/462258623.db2.gz IRUJTZJZJSTOGA-ONCXSQPRSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1n[nH]c(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772190 462259624 /nfs/dbraw/zinc/25/96/24/462259624.db2.gz SESOBZZBBRIHPT-LJQANCHMSA-N 2 0 338.499 3.418 10 0 EGAERP CC1(C)OCC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657785317 462264042 /nfs/dbraw/zinc/26/40/42/462264042.db2.gz FZVKSLAIKPWMDE-SFHVURJKSA-N 2 0 332.488 3.066 10 0 EGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H]2CCCSCC2)CC1 ZINC000657839094 462291112 /nfs/dbraw/zinc/29/11/12/462291112.db2.gz LNKYTUWMLBRZAB-HXUWFJFHSA-N 2 0 347.572 3.199 10 0 EGAERP CC[C@@]1(C)CCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651728168 462317720 /nfs/dbraw/zinc/31/77/20/462317720.db2.gz NFCBXWLHXRREJO-XLIONFOSSA-N 2 0 337.552 3.172 10 0 EGAERP c1ccc2c(CC[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232890 462362350 /nfs/dbraw/zinc/36/23/50/462362350.db2.gz XGMSEDFKNYXKDA-GHTZIAJQSA-N 2 0 349.434 3.216 10 0 EGAERP FCCC[C@@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070076 462367803 /nfs/dbraw/zinc/36/78/03/462367803.db2.gz KRBZVBVDCTZPNV-PKOBYXMFSA-N 2 0 326.500 3.385 10 0 EGAERP Cc1cc(Br)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)s1 ZINC000665267273 462376564 /nfs/dbraw/zinc/37/65/64/462376564.db2.gz TUTDDFCQXHEXGX-SDDRHHMPSA-N 2 0 329.307 3.297 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265577 462376763 /nfs/dbraw/zinc/37/67/63/462376763.db2.gz YPWWNTNXPBCQIS-GOEBONIOSA-N 2 0 337.305 3.489 10 0 EGAERP [NH3+]C1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000665276493 462380662 /nfs/dbraw/zinc/38/06/62/462380662.db2.gz DTKIARFQJMXRKP-XEVCZEQESA-N 3 0 327.516 3.148 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](c2ccc(C)o2)C2CCC2)CC1 ZINC000665287055 462385716 /nfs/dbraw/zinc/38/57/16/462385716.db2.gz APRWMHGIFOWDEP-HXUWFJFHSA-N 2 0 347.503 3.009 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000665287826 462385868 /nfs/dbraw/zinc/38/58/68/462385868.db2.gz VRAJGAMDWKLNEE-HXUWFJFHSA-N 2 0 343.515 3.108 10 0 EGAERP COCC[N@@H+]1CC[C@@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000651959800 462394255 /nfs/dbraw/zinc/39/42/55/462394255.db2.gz FFFQNWBNMYBNTM-GOSISDBHSA-N 2 0 349.544 3.007 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)C1 ZINC000658140614 462403492 /nfs/dbraw/zinc/40/34/92/462403492.db2.gz VISKHWQJGZATFB-WOJBJXKFSA-N 2 0 328.500 3.456 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142189 462405329 /nfs/dbraw/zinc/40/53/29/462405329.db2.gz VDCDQPPRVIWVFR-CTNGQTDRSA-N 2 0 340.442 3.169 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000652150396 462451322 /nfs/dbraw/zinc/45/13/22/462451322.db2.gz VFLXILLKRNPOTE-MRXNPFEDSA-N 2 0 339.886 3.084 10 0 EGAERP C[C@@H]1COCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319246 462475225 /nfs/dbraw/zinc/47/52/25/462475225.db2.gz YJDDXKIXBFEKOP-RLLQIKCJSA-N 2 0 328.500 3.303 10 0 EGAERP CC(C)N1C[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)[C@@H](C)C1 ZINC000181283534 529107462 /nfs/dbraw/zinc/10/74/62/529107462.db2.gz RWDYGVZURRJVJK-ZWOKBUDYSA-N 2 0 333.520 3.006 10 0 EGAERP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@@H]1C ZINC000246972424 535517256 /nfs/dbraw/zinc/51/72/56/535517256.db2.gz OPMQCNUBUFDGFL-FUHWJXTLSA-N 2 0 347.503 3.076 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000246836741 535768736 /nfs/dbraw/zinc/76/87/36/535768736.db2.gz BZMPQWCSKQSLQV-RXVVDRJESA-N 3 0 329.532 3.219 10 0 EGAERP COc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)cc1OC(F)F ZINC000125633278 546752837 /nfs/dbraw/zinc/75/28/37/546752837.db2.gz SDFCCJSDROWSKT-GFCCVEGCSA-N 2 0 328.403 3.117 10 0 EGAERP C[C@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152983058 546875639 /nfs/dbraw/zinc/87/56/39/546875639.db2.gz AXIAVFOABPQOMS-GHTZIAJQSA-N 2 0 329.532 3.361 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCC[C@H]5C4)[C@H]3C2)cc1 ZINC000386526264 547824380 /nfs/dbraw/zinc/82/43/80/547824380.db2.gz OKGKJQUTGUZBNO-WIYBCGNWSA-N 2 0 339.527 3.113 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H](c2cccnc2)C2CC2)cc1 ZINC000677521287 549284844 /nfs/dbraw/zinc/28/48/44/549284844.db2.gz QQCRYXPISBKFNI-FQEVSTJZSA-N 2 0 325.456 3.263 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCN1CCCc2ccccc21 ZINC000680115535 549823242 /nfs/dbraw/zinc/82/32/42/549823242.db2.gz INZWSQNUJMFMER-UHFFFAOYSA-N 2 0 347.466 3.118 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000682075408 550069587 /nfs/dbraw/zinc/06/95/87/550069587.db2.gz GYTYZSWXBVWDHD-NRFANRHFSA-N 2 0 327.516 3.164 10 0 EGAERP Cc1cc(CC[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc(C)c1O ZINC000682475796 550103883 /nfs/dbraw/zinc/10/38/83/550103883.db2.gz CHJKWGDLXRIEQX-UHFFFAOYSA-N 2 0 342.483 3.282 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000684374221 550320906 /nfs/dbraw/zinc/32/09/06/550320906.db2.gz KYQOOKSSMJZPLS-FPOVZHCZSA-N 2 0 346.515 3.454 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CCC3(CC2)OCCO3)c1 ZINC000727467092 574669338 /nfs/dbraw/zinc/66/93/38/574669338.db2.gz LXUUBSUOOXAQPG-UHFFFAOYSA-N 2 0 344.499 3.448 10 0 EGAERP CC(C)(C)OC(=O)NCC[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000178917895 1294761676 /nfs/dbraw/zinc/76/16/76/1294761676.db2.gz CBUHCKKRDYLXGM-UHFFFAOYSA-N 2 0 339.524 3.099 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000870990763 1296168602 /nfs/dbraw/zinc/16/86/02/1296168602.db2.gz BHVNWJUZIVLSIJ-PXNSSMCTSA-N 2 0 337.552 3.288 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872073415 1296717636 /nfs/dbraw/zinc/71/76/36/1296717636.db2.gz QPWQYAZARQQOMJ-MJGOQNOKSA-N 2 0 349.519 3.095 10 0 EGAERP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000872084014 1296724378 /nfs/dbraw/zinc/72/43/78/1296724378.db2.gz CMZVJERTJRJAIT-UXHICEINSA-N 2 0 331.504 3.088 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CCC(=O)N[C@@H]1CCCc2ccccc21 ZINC000872155396 1296771580 /nfs/dbraw/zinc/77/15/80/1296771580.db2.gz QTEMCWJHHHHMBL-LJQANCHMSA-N 2 0 331.504 3.021 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])c1cc2ccccc2o1 ZINC000872155686 1296774452 /nfs/dbraw/zinc/77/44/52/1296774452.db2.gz YLQSZLGTVCWDEY-HOTGVXAUSA-N 2 0 345.487 3.449 10 0 EGAERP C(=C/[C@@H]1CCC[NH2+]C1)\c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000872174567 1296796563 /nfs/dbraw/zinc/79/65/63/1296796563.db2.gz BQZUZNUZDFOKNZ-FDMDGMSGSA-N 2 0 338.455 3.345 10 0 EGAERP Cc1cc(C[NH3+])oc1-c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000872176166 1296798975 /nfs/dbraw/zinc/79/89/75/1296798975.db2.gz OAYIPHRTQIMCIQ-UHFFFAOYSA-N 2 0 338.411 3.360 10 0 EGAERP CC(C)(C)OC(=O)N[C@H]1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)C1 ZINC000305132660 1296983990 /nfs/dbraw/zinc/98/39/90/1296983990.db2.gz ISPHXDLIRMVBEL-CVEARBPZSA-N 2 0 339.524 3.285 10 0 EGAERP CC[NH+]1CCC([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378894136 1297525363 /nfs/dbraw/zinc/52/53/63/1297525363.db2.gz SWDNVAYDIXRFMO-MRXNPFEDSA-N 2 0 339.524 3.098 10 0 EGAERP CC(C)[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000381294301 1297551664 /nfs/dbraw/zinc/55/16/64/1297551664.db2.gz YIPMVCPQQRJLRM-BAGYTPMASA-N 2 0 341.543 3.359 10 0 EGAERP Cc1cc(C[NH+]2CCC(Cc3ccc(C[NH+](C)C)cc3)CC2)n(C)n1 ZINC000581810089 1298018398 /nfs/dbraw/zinc/01/83/98/1298018398.db2.gz QZDJZBYSOSWFDB-UHFFFAOYSA-N 2 0 340.515 3.245 10 0 EGAERP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715276771 1298280475 /nfs/dbraw/zinc/28/04/75/1298280475.db2.gz LDPZUPTZESIBPB-CGZBRXJRSA-N 2 0 341.540 3.388 10 0 EGAERP C[N@H+](CC[C@H]1CCCC[NH2+]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719948326 1298325929 /nfs/dbraw/zinc/32/59/29/1298325929.db2.gz RJHRJVVLBIKQKX-OAQYLSRUSA-N 3 0 329.532 3.363 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(-n2ccnc2)c1 ZINC000878396449 1299970850 /nfs/dbraw/zinc/97/08/50/1299970850.db2.gz IKNNVCWTSQFAGP-VQIMIIECSA-N 2 0 341.455 3.109 10 0 EGAERP CCC[C@H](C)[C@@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886631246 1303533458 /nfs/dbraw/zinc/53/34/58/1303533458.db2.gz HZOZEYRRMVUWLL-RKFFNLMFSA-N 2 0 330.516 3.426 10 0 EGAERP COC(=O)c1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)[nH]c1C(C)C ZINC000893969977 1306155416 /nfs/dbraw/zinc/15/54/16/1306155416.db2.gz VXFZSLNKPTZUTQ-UHFFFAOYSA-N 2 0 335.492 3.088 10 0 EGAERP Cc1noc2ncc(C[NH2+]C3CCC([NH+]4CCCCC4)CC3)cc12 ZINC000894320458 1306341891 /nfs/dbraw/zinc/34/18/91/1306341891.db2.gz MDBBAZMZUGFOCP-UHFFFAOYSA-N 2 0 328.460 3.418 10 0 EGAERP CC1(C)COC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000894328370 1306344469 /nfs/dbraw/zinc/34/44/69/1306344469.db2.gz YFFYDNPMTYHJMS-HXUWFJFHSA-N 2 0 346.515 3.072 10 0 EGAERP C[C@@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cccc3O)s2)CCCO1 ZINC000894565900 1308957577 /nfs/dbraw/zinc/95/75/77/1308957577.db2.gz IGPSEJWEVHQDSE-CQSZACIVSA-N 2 0 334.485 3.197 10 0 EGAERP CO[C@@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000895650950 1309447921 /nfs/dbraw/zinc/44/79/21/1309447921.db2.gz XJOYBXJRWLBASY-HXUWFJFHSA-N 2 0 348.531 3.054 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000895846581 1309556206 /nfs/dbraw/zinc/55/62/06/1309556206.db2.gz QOLINTRCGUOZAB-TZIWHRDSSA-N 2 0 344.499 3.162 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1 ZINC000897817833 1310477780 /nfs/dbraw/zinc/47/77/80/1310477780.db2.gz BROALDJEGAEKFW-ILEJNFISSA-N 2 0 338.495 3.053 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029605 1328664554 /nfs/dbraw/zinc/66/45/54/1328664554.db2.gz ZFZRNLXZPTVGIY-MOPGFXCFSA-N 2 0 329.488 3.287 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858173584 1328703488 /nfs/dbraw/zinc/70/34/88/1328703488.db2.gz GJVLTNLQEQAWCX-JYJNAYRXSA-N 2 0 339.524 3.142 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)CC1(C)C ZINC000858190049 1328707334 /nfs/dbraw/zinc/70/73/34/1328707334.db2.gz ZGFKKEAHVIFFRM-OAHLLOKOSA-N 2 0 339.524 3.286 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533898 1328790848 /nfs/dbraw/zinc/79/08/48/1328790848.db2.gz YDBIGJCBRNKKKR-KXBFYZLASA-N 2 0 343.471 3.311 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1 ZINC000913393246 1319024645 /nfs/dbraw/zinc/02/46/45/1319024645.db2.gz TTXLSKDCNBSABI-UHFFFAOYSA-N 2 0 331.504 3.085 10 0 EGAERP Fc1cncc(F)c1CN1CCC(c2ncc3n2CCCC3)CC1 ZINC000930265421 1328822590 /nfs/dbraw/zinc/82/25/90/1328822590.db2.gz DWTGZVFENCNMKH-UHFFFAOYSA-N 2 0 332.398 3.272 10 0 EGAERP Cc1nccn1-c1ccc(C[NH2+]Cc2nccc3c2CCCC3)cn1 ZINC000921561414 1322353039 /nfs/dbraw/zinc/35/30/39/1322353039.db2.gz FMJRADLYLXXPOV-UHFFFAOYSA-N 2 0 333.439 3.139 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CCC(NCc2cnn(CCF)c2)CC1 ZINC000921750096 1322391400 /nfs/dbraw/zinc/39/14/00/1322391400.db2.gz SQGLVVHITMOTEM-INIZCTEOSA-N 2 0 330.451 3.168 10 0 EGAERP CC[C@H]1C[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743231 1322608112 /nfs/dbraw/zinc/60/81/12/1322608112.db2.gz OZDCRVRZNKWJGS-PMACEKPBSA-N 2 0 346.515 3.215 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c(Cl)oc3ccccc31)CC2 ZINC000923444895 1322752476 /nfs/dbraw/zinc/75/24/76/1322752476.db2.gz IPSRFSYSEHQGJH-CYBMUJFWSA-N 2 0 334.847 3.416 10 0 EGAERP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499356 1322762672 /nfs/dbraw/zinc/76/26/72/1322762672.db2.gz MYUWQBHVSOZXSL-RVKKMQEKSA-N 2 0 331.504 3.055 10 0 EGAERP C[C@@H]1C[N@@H+]([C@@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923502048 1322763619 /nfs/dbraw/zinc/76/36/19/1322763619.db2.gz WQFXIWCEACXSEW-YVWKXTFCSA-N 2 0 337.467 3.283 10 0 EGAERP c1ccc2c(c1)NC[C@H]2C[C@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923553891 1322776490 /nfs/dbraw/zinc/77/64/90/1322776490.db2.gz WRKUVHCABHWTKF-MOPGFXCFSA-N 2 0 343.515 3.066 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[NH+]2CCC(C)CC2)n(C)n1 ZINC000924580949 1323062338 /nfs/dbraw/zinc/06/23/38/1323062338.db2.gz ZSQQMDYPDLZIDZ-ICSRJNTNSA-N 2 0 332.536 3.151 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CCOC23CCOCC3)c1 ZINC000924586114 1323064787 /nfs/dbraw/zinc/06/47/87/1323064787.db2.gz HCUBLYURIYOIGT-HXUWFJFHSA-N 2 0 344.499 3.100 10 0 EGAERP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000924673337 1323106033 /nfs/dbraw/zinc/10/60/33/1323106033.db2.gz XCDZSVQEBZJYMV-MSOLQXFVSA-N 2 0 349.588 3.345 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)c3ccns3)cc2)CC1 ZINC000924692684 1323115303 /nfs/dbraw/zinc/11/53/03/1323115303.db2.gz QHXZEQATBLTGSY-MRXNPFEDSA-N 2 0 344.528 3.131 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(O)cc(F)c1 ZINC000924703883 1323122501 /nfs/dbraw/zinc/12/25/01/1323122501.db2.gz HLPPIQKXUFRAMQ-AWEZNQCLSA-N 2 0 332.419 3.323 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924992028 1323237894 /nfs/dbraw/zinc/23/78/94/1323237894.db2.gz KWJGSLIQTDVLAV-NWDGAFQWSA-N 2 0 335.439 3.053 10 0 EGAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@@](C)(O)c1ccccc1 ZINC000859994885 1329123929 /nfs/dbraw/zinc/12/39/29/1329123929.db2.gz GPYJDOUBYWEAIM-OAQYLSRUSA-N 2 0 326.484 3.478 10 0 EGAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@](C)(O)C(F)(F)C(F)(F)F ZINC000931703981 1329167400 /nfs/dbraw/zinc/16/74/00/1329167400.db2.gz NIYRSGHSOCLQQA-ZDUSSCGKSA-N 2 0 346.384 3.133 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)cc[nH+]1 ZINC000925300572 1325117483 /nfs/dbraw/zinc/11/74/83/1325117483.db2.gz MVYBJFACPPFUPC-QUCCMNQESA-N 2 0 329.488 3.093 10 0 EGAERP COc1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1OC ZINC000925476436 1325167365 /nfs/dbraw/zinc/16/73/65/1325167365.db2.gz BZFPCEWYCAIISU-ROUUACIJSA-N 2 0 332.488 3.004 10 0 EGAERP COc1ccccc1[C@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925483753 1325169980 /nfs/dbraw/zinc/16/99/80/1325169980.db2.gz YBVIRZAXBLSUOU-AZUAARDMSA-N 2 0 343.515 3.096 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925484381 1325171084 /nfs/dbraw/zinc/17/10/84/1325171084.db2.gz DNNJVWJYUFUPRO-XUJVJEKNSA-N 2 0 330.394 3.234 10 0 EGAERP CC1(C)[C@@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492729 1325175739 /nfs/dbraw/zinc/17/57/39/1325175739.db2.gz ICOLWZBBMSWLRA-LMSBXDPUSA-N 2 0 333.545 3.251 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)C12CCC2 ZINC000925506445 1325182026 /nfs/dbraw/zinc/18/20/26/1325182026.db2.gz RGTIBIATBDMJFU-RCCFBDPRSA-N 2 0 333.907 3.336 10 0 EGAERP COc1cccc([C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000925507266 1325183591 /nfs/dbraw/zinc/18/35/91/1325183591.db2.gz VMCQLHOUVUPDCH-BJLQDIEVSA-N 2 0 345.531 3.328 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000925524707 1325190449 /nfs/dbraw/zinc/19/04/49/1325190449.db2.gz YLXVDHBGEPFUFS-NVXWUHKLSA-N 2 0 330.451 3.050 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925535126 1325196192 /nfs/dbraw/zinc/19/61/92/1325196192.db2.gz UAIIPKROCVVTLY-DOTOQJQBSA-N 2 0 331.504 3.160 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)C1 ZINC000925535479 1325196750 /nfs/dbraw/zinc/19/67/50/1325196750.db2.gz XUTZZPPBMQLDPT-GVDBMIGSSA-N 2 0 335.561 3.456 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)C12CCC2 ZINC000925542558 1325199972 /nfs/dbraw/zinc/19/99/72/1325199972.db2.gz HVAXWOAKFBDMDU-KSZLIROESA-N 2 0 333.907 3.336 10 0 EGAERP c1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544333 1325200464 /nfs/dbraw/zinc/20/04/64/1325200464.db2.gz QALNKUIVRKAYIM-LEWJYISDSA-N 2 0 342.527 3.493 10 0 EGAERP COc1cc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553815 1325205455 /nfs/dbraw/zinc/20/54/55/1325205455.db2.gz SAIZBCKVKCNJIJ-AEGPPILISA-N 2 0 336.476 3.269 10 0 EGAERP COc1cc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553817 1325205995 /nfs/dbraw/zinc/20/59/95/1325205995.db2.gz SAIZBCKVKCNJIJ-NWANDNLSSA-N 2 0 336.476 3.269 10 0 EGAERP C[NH+](C)CCOc1cccc(N[C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925572533 1325215892 /nfs/dbraw/zinc/21/58/92/1325215892.db2.gz JHKYJFNUEHBBKJ-PMACEKPBSA-N 2 0 331.504 3.207 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C12CCC2 ZINC000925584301 1325220508 /nfs/dbraw/zinc/22/05/08/1325220508.db2.gz KUXOBGBCSPZVOM-IRXDYDNUSA-N 2 0 334.891 3.248 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000925621559 1325235049 /nfs/dbraw/zinc/23/50/49/1325235049.db2.gz ILZLZCSMCIMLMX-BTHPGYMESA-N 3 0 327.516 3.147 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658279 1325252372 /nfs/dbraw/zinc/25/23/72/1325252372.db2.gz WHUULOFQISPSRJ-CABCVRRESA-N 2 0 328.378 3.030 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925674897 1325258117 /nfs/dbraw/zinc/25/81/17/1325258117.db2.gz FAGKBTZGOJPKJD-LTDCPUDJSA-N 2 0 331.479 3.018 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728970 1325273129 /nfs/dbraw/zinc/27/31/29/1325273129.db2.gz GLIHKEQIMWPCTJ-HUUCEWRRSA-N 2 0 335.289 3.340 10 0 EGAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1[C@@H]3Cc4ccc(Br)cc4[C@@H]31)[NH2+]2 ZINC000925731228 1325273608 /nfs/dbraw/zinc/27/36/08/1325273608.db2.gz ZIRVJZRLGHVUBH-NBUHGKAPSA-N 2 0 347.300 3.206 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1CCc2c1cccc2Br ZINC000925781144 1325298879 /nfs/dbraw/zinc/29/88/79/1325298879.db2.gz HKXLFJDPCUHQAQ-YGRLFVJLSA-N 2 0 345.231 3.271 10 0 EGAERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000925811774 1325312950 /nfs/dbraw/zinc/31/29/50/1325312950.db2.gz RUNDOALJVMQPMA-INIZCTEOSA-N 2 0 330.303 3.457 10 0 EGAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000925814096 1325313319 /nfs/dbraw/zinc/31/33/19/1325313319.db2.gz FRLKRRSRWJQXLG-NSHDSACASA-N 2 0 347.837 3.015 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)cs1 ZINC000925817858 1325314770 /nfs/dbraw/zinc/31/47/70/1325314770.db2.gz RXHUTAYUDDCIFT-INIZCTEOSA-N 2 0 329.513 3.313 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccnc1 ZINC000925817868 1325314822 /nfs/dbraw/zinc/31/48/22/1325314822.db2.gz SFKIEKUOTJSKTF-OAQYLSRUSA-N 2 0 338.499 3.118 10 0 EGAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000925845124 1325326774 /nfs/dbraw/zinc/32/67/74/1325326774.db2.gz XCZKLXQWGUIMTG-WSXQUGQNSA-N 2 0 327.472 3.099 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000925848543 1325328303 /nfs/dbraw/zinc/32/83/03/1325328303.db2.gz HUPVEFHYAHWEPY-CQSZACIVSA-N 2 0 327.875 3.205 10 0 EGAERP Cc1ccc2cc([C@H](C)[NH2+]C[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850735 1325329281 /nfs/dbraw/zinc/32/92/81/1325329281.db2.gz PPYWGECWBRJYGC-HOCLYGCPSA-N 2 0 342.439 3.077 10 0 EGAERP O=C1O[C@@H](C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925850250 1325329733 /nfs/dbraw/zinc/32/97/33/1325329733.db2.gz HADKMYAKROOOHT-SJORKVTESA-N 2 0 348.874 3.066 10 0 EGAERP O=C1O[C@@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925850248 1325329746 /nfs/dbraw/zinc/32/97/46/1325329746.db2.gz HADKMYAKROOOHT-IAGOWNOFSA-N 2 0 348.874 3.066 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(C)(C)C)cc1 ZINC000925853309 1325331573 /nfs/dbraw/zinc/33/15/73/1325331573.db2.gz IAYFGVMCWKQFHJ-CRAIPNDOSA-N 2 0 344.499 3.320 10 0 EGAERP Cc1ccc([C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858511 1325332898 /nfs/dbraw/zinc/33/28/98/1325332898.db2.gz UIHJZQSLXBZCEE-SJLPKXTDSA-N 2 0 346.471 3.094 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926868594 1327747217 /nfs/dbraw/zinc/74/72/17/1327747217.db2.gz JSGXLHCPFWKFFF-QRWLVFNGSA-N 2 0 330.447 3.142 10 0 EGAERP C[C@@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926893621 1327762589 /nfs/dbraw/zinc/76/25/89/1327762589.db2.gz RXSHQWVPHVEVSS-DYESRHJHSA-N 2 0 326.484 3.393 10 0 EGAERP C[NH+](C)CCCC(C)(C)[NH2+]CC12CC(C1)CN2C(=O)OC(C)(C)C ZINC000865589912 1329717133 /nfs/dbraw/zinc/71/71/33/1329717133.db2.gz JEXUFYNWDQSYBL-UHFFFAOYSA-N 2 0 339.524 3.096 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccnc2)[C@@H](C)C1 ZINC000866268469 1330088344 /nfs/dbraw/zinc/08/83/44/1330088344.db2.gz WNDIALRTWQDNLE-NSHGMRRFSA-N 2 0 333.520 3.129 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000866307172 1330093931 /nfs/dbraw/zinc/09/39/31/1330093931.db2.gz SJBDOCSBGCNNCL-AVQSHMDHSA-N 2 0 346.490 3.417 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12)C1CC[NH+](C)CC1 ZINC000866611128 1330132591 /nfs/dbraw/zinc/13/25/91/1330132591.db2.gz QPEXXCDPKHGLAQ-ZUHTVMMCSA-N 2 0 349.316 3.407 10 0 EGAERP CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000866661957 1330138759 /nfs/dbraw/zinc/13/87/59/1330138759.db2.gz XTQKNPXOXJNFIO-YTQUADARSA-N 2 0 329.488 3.176 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000866702548 1330142549 /nfs/dbraw/zinc/14/25/49/1330142549.db2.gz CGZIBQBGIXGVCU-GOSISDBHSA-N 2 0 337.895 3.366 10 0 EGAERP Cc1ccc2c(C[N@@H+]3CC[C@@](C[NH3+])(C(C)(C)C)C3)cc(=O)oc2c1 ZINC000866705753 1330142840 /nfs/dbraw/zinc/14/28/40/1330142840.db2.gz ABGPXALNAXBVKE-FQEVSTJZSA-N 2 0 328.456 3.298 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171125 1387306278 /nfs/dbraw/zinc/30/62/78/1387306278.db2.gz UEPSILLZTBKQTJ-RTBURBONSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1nccn1CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001323641431 1387415701 /nfs/dbraw/zinc/41/57/01/1387415701.db2.gz IZDMKPLXMSCFOM-OALUTQOASA-N 2 0 346.519 3.083 10 0 EGAERP O=C(C[NH+]1CCCC1)NCC[N@H+](CC1CCC1)C1CCCCCC1 ZINC001323721009 1387430116 /nfs/dbraw/zinc/43/01/16/1387430116.db2.gz BKXXUYVEVFWPGC-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP c1cc(C[NH+]2CCCC2)cc(-c2nc([C@H]3C[NH+]4CCC3CC4)no2)c1 ZINC001323914876 1387495091 /nfs/dbraw/zinc/49/50/91/1387495091.db2.gz LYFFMADUEIZCOB-SFHVURJKSA-N 2 0 338.455 3.142 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1C ZINC001324098076 1387541325 /nfs/dbraw/zinc/54/13/25/1387541325.db2.gz PCVUXESXHKUCPK-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC001324452059 1387626095 /nfs/dbraw/zinc/62/60/95/1387626095.db2.gz SHLGJVUOCOICIA-HXUWFJFHSA-N 2 0 339.483 3.093 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001324482809 1387640984 /nfs/dbraw/zinc/64/09/84/1387640984.db2.gz OBIGHVLGRGPZQK-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001324762693 1387762978 /nfs/dbraw/zinc/76/29/78/1387762978.db2.gz KCKDINOMBLPTAR-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324831158 1387785127 /nfs/dbraw/zinc/78/51/27/1387785127.db2.gz BCFLFVIYKDHPMY-OAQYLSRUSA-N 2 0 345.531 3.236 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001325751763 1388040834 /nfs/dbraw/zinc/04/08/34/1388040834.db2.gz MSZPYSBPUFAESL-KDURUIRLSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001118805355 1371233056 /nfs/dbraw/zinc/23/30/56/1371233056.db2.gz YFYNNNITAQLIKX-PZJWPPBQSA-N 3 0 329.532 3.361 10 0 EGAERP CC1(C)[C@H]([NH2+]CCc2coc(-c3ccccc3)n2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001119630157 1371379053 /nfs/dbraw/zinc/37/90/53/1371379053.db2.gz DAJBPBZFAMZSFI-FGTMMUONSA-N 2 0 325.456 3.250 10 0 EGAERP COc1cccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)c1 ZINC001119699182 1371389850 /nfs/dbraw/zinc/38/98/50/1371389850.db2.gz KTODEAOSYAXDKX-RDJZCZTQSA-N 2 0 331.504 3.160 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])c1 ZINC001326369056 1388167666 /nfs/dbraw/zinc/16/76/66/1388167666.db2.gz BLUKFLAQDCZQHE-UXHICEINSA-N 2 0 345.531 3.442 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@H](C)[NH2+]CC2CCC2)cc1 ZINC001326491057 1388216414 /nfs/dbraw/zinc/21/64/14/1388216414.db2.gz WVNYBRDMUFQJBV-INIZCTEOSA-N 2 0 331.504 3.094 10 0 EGAERP CCCC[N@@H+]1CCc2c(CNC(=O)[C@H](C(C)C)[NH+](C)C)cccc2C1 ZINC001326676542 1388279743 /nfs/dbraw/zinc/27/97/43/1388279743.db2.gz WCHPNKBMEGIKSN-FQEVSTJZSA-N 2 0 345.531 3.047 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001326760345 1388301766 /nfs/dbraw/zinc/30/17/66/1388301766.db2.gz QIOGZSNSDIORJU-RGFVMQALSA-N 2 0 343.515 3.012 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CC1 ZINC001327148982 1388406129 /nfs/dbraw/zinc/40/61/29/1388406129.db2.gz WXBJZZALXLVQGR-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149065 1388406183 /nfs/dbraw/zinc/40/61/83/1388406183.db2.gz XGVOSUQWPCRSED-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)CCCCC1 ZINC001265921271 1377172031 /nfs/dbraw/zinc/17/20/31/1377172031.db2.gz KUOQBGFRVVORAC-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266113459 1377190379 /nfs/dbraw/zinc/19/03/79/1377190379.db2.gz OCZSVWUDCKAWAW-IBGZPJMESA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001266159429 1377211417 /nfs/dbraw/zinc/21/14/17/1377211417.db2.gz PWMSTADGYUMHHA-MSOLQXFVSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1CCCC1 ZINC001266164394 1377213776 /nfs/dbraw/zinc/21/37/76/1377213776.db2.gz UXPAJLYTIPKPMM-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001266222757 1377234930 /nfs/dbraw/zinc/23/49/30/1377234930.db2.gz FJXALHMNRNVVHS-GOSISDBHSA-N 2 0 335.536 3.166 10 0 EGAERP Cc1ccc(C[N@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)cc1C ZINC001266489088 1377319171 /nfs/dbraw/zinc/31/91/71/1377319171.db2.gz WGLOCXHLHSHINK-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266707715 1377364881 /nfs/dbraw/zinc/36/48/81/1377364881.db2.gz BXGAIGKOEAXJJM-ZIFCJYIRSA-N 2 0 349.563 3.457 10 0 EGAERP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266853145 1377394539 /nfs/dbraw/zinc/39/45/39/1377394539.db2.gz GODLTMCFVNVGCD-MNVMYWNISA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCC(=O)NCC[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001267570286 1377460099 /nfs/dbraw/zinc/46/00/99/1377460099.db2.gz LVFJUYIBCCNSHM-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@H](C)C[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267912627 1377477003 /nfs/dbraw/zinc/47/70/03/1377477003.db2.gz VYUBHDBIYOVPSF-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001268164640 1377490499 /nfs/dbraw/zinc/49/04/99/1377490499.db2.gz YCBACUZMTJIUTN-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001269544691 1377558352 /nfs/dbraw/zinc/55/83/52/1377558352.db2.gz OTUWCLCHVFZEKL-HKUYNNGSSA-N 2 0 343.515 3.106 10 0 EGAERP Cc1c(C(=O)N(C)C2C[NH+](CCCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001269812781 1377575351 /nfs/dbraw/zinc/57/53/51/1377575351.db2.gz SVFVABZDVVALIA-UHFFFAOYSA-N 2 0 342.487 3.225 10 0 EGAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001270851471 1377615969 /nfs/dbraw/zinc/61/59/69/1377615969.db2.gz MUGWAWDYGFQUKL-AATRIKPKSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCCCCC1 ZINC001271939750 1377653510 /nfs/dbraw/zinc/65/35/10/1377653510.db2.gz GXKJBSBVVHFASO-SFHVURJKSA-N 2 0 325.541 3.027 10 0 EGAERP CCC(CC)C[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001274035745 1378114441 /nfs/dbraw/zinc/11/44/41/1378114441.db2.gz KRIOEOMZIZLURP-UHFFFAOYSA-N 2 0 331.504 3.006 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+][C@@H](C)c3ccccc3)CC2)CC1 ZINC001277210251 1378211230 /nfs/dbraw/zinc/21/12/30/1378211230.db2.gz ZSDPMGHXVVBMGL-KRWDZBQOSA-N 2 0 343.515 3.106 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCCC1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001280847977 1378385602 /nfs/dbraw/zinc/38/56/02/1378385602.db2.gz GFISMYZICOSODL-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001282213766 1378487585 /nfs/dbraw/zinc/48/75/85/1378487585.db2.gz GMSKQDFDDREVEN-DLBZAZTESA-N 2 0 347.547 3.092 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001283262452 1378775286 /nfs/dbraw/zinc/77/52/86/1378775286.db2.gz WPDMVSZGRUFEET-MOPGFXCFSA-N 2 0 345.531 3.020 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001283434388 1378925785 /nfs/dbraw/zinc/92/57/85/1378925785.db2.gz PCOKUGNWXVHMKV-OALUTQOASA-N 2 0 331.504 3.106 10 0 EGAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C/C=C/c1ccccc1 ZINC001283616898 1379055910 /nfs/dbraw/zinc/05/59/10/1379055910.db2.gz BVUZWIYYEMWBHU-ZPPSIVDRSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCC2(CC2)CC1 ZINC001283631267 1379066347 /nfs/dbraw/zinc/06/63/47/1379066347.db2.gz UVYJXCYXARZDLU-KRWDZBQOSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001149140440 1379332440 /nfs/dbraw/zinc/33/24/40/1379332440.db2.gz VWTSWEKHZDJTEK-HOJAQTOUSA-N 2 0 345.531 3.134 10 0 EGAERP Cc1c(C(=O)N2C[C@H]([NH2+]CCC(C)(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001283997435 1379351151 /nfs/dbraw/zinc/35/11/51/1379351151.db2.gz QOZXCDCOKMLOBT-GDBMZVCRSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001284029481 1379378074 /nfs/dbraw/zinc/37/80/74/1379378074.db2.gz DTMUNRNAXWRFPM-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001284097723 1379465197 /nfs/dbraw/zinc/46/51/97/1379465197.db2.gz TWUYUIPSXSLFAL-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001284187570 1379579749 /nfs/dbraw/zinc/57/97/49/1379579749.db2.gz DFNRNTBEAAWEGK-DLBZAZTESA-N 2 0 337.552 3.170 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284193953 1379587155 /nfs/dbraw/zinc/58/71/55/1379587155.db2.gz HSYIHHUZDFSREO-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001284295839 1379684334 /nfs/dbraw/zinc/68/43/34/1379684334.db2.gz MFNCPSQRYFOQRH-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001327925406 1388624723 /nfs/dbraw/zinc/62/47/23/1388624723.db2.gz SUTUQRJCZZGLCR-ZLQADLMRSA-N 2 0 343.515 3.155 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001284348156 1379746524 /nfs/dbraw/zinc/74/65/24/1379746524.db2.gz JFVZXAPTIJDPCV-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC(C)(C)CC1)C(=O)CC[NH+](C)C ZINC001284544684 1379952158 /nfs/dbraw/zinc/95/21/58/1379952158.db2.gz OKEWHWNDWBCSCU-UHFFFAOYSA-N 2 0 339.568 3.323 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284598316 1379999226 /nfs/dbraw/zinc/99/92/26/1379999226.db2.gz NGFLZPOBQHMJBG-QZTJIDSGSA-N 2 0 337.552 3.170 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001284619473 1380018814 /nfs/dbraw/zinc/01/88/14/1380018814.db2.gz RNWMRVGGCGFXLR-ULQDDVLXSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001284651785 1380065560 /nfs/dbraw/zinc/06/55/60/1380065560.db2.gz BHDIMOBMSMBUGJ-GOSISDBHSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001284654368 1380070487 /nfs/dbraw/zinc/07/04/87/1380070487.db2.gz YRWNLGGWDCEWHY-INIZCTEOSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001328051038 1388654344 /nfs/dbraw/zinc/65/43/44/1388654344.db2.gz QHKGHPGEGLLFLD-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328084596 1388666838 /nfs/dbraw/zinc/66/68/38/1388666838.db2.gz YZTKTUSRXNWYPE-ZEVQVBBLSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C(C)(C)C1 ZINC001156836975 1380681276 /nfs/dbraw/zinc/68/12/76/1380681276.db2.gz RSUGKZDRHRVCKJ-IBGZPJMESA-N 2 0 343.515 3.133 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001328284343 1388715353 /nfs/dbraw/zinc/71/53/53/1388715353.db2.gz ONBXITZUEURVGZ-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001328351690 1388728086 /nfs/dbraw/zinc/72/80/86/1388728086.db2.gz JZHVZNKZDNMEGF-ZWKOTPCHSA-N 2 0 345.531 3.333 10 0 EGAERP Cc1c(C(=O)NCC[C@H](C)[NH2+]CCCC2CCC2)ccc2c[nH+]cn21 ZINC001328361892 1388729859 /nfs/dbraw/zinc/72/98/59/1388729859.db2.gz RWQVFMUIZBSJDX-HNNXBMFYSA-N 2 0 342.487 3.321 10 0 EGAERP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001164426096 1383185519 /nfs/dbraw/zinc/18/55/19/1383185519.db2.gz YXWVVJLJBWVEAD-RBUKOAKNSA-N 2 0 336.439 3.203 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001316598850 1384465476 /nfs/dbraw/zinc/46/54/76/1384465476.db2.gz JVUUFFJJSKUJPL-SFHVURJKSA-N 2 0 342.487 3.369 10 0 EGAERP CCCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001316656788 1384507799 /nfs/dbraw/zinc/50/77/99/1384507799.db2.gz DWVNWYDMDPNSNY-CADBVGFASA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316678915 1384520308 /nfs/dbraw/zinc/52/03/08/1384520308.db2.gz MJXJDUSUCOBHSM-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C/C=C/c2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001316739423 1384554847 /nfs/dbraw/zinc/55/48/47/1384554847.db2.gz VGOZVUITPREQBW-FRMPJASGSA-N 2 0 343.515 3.009 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CCCC1CCCC1 ZINC001316742456 1384555778 /nfs/dbraw/zinc/55/57/78/1384555778.db2.gz NJLNWGBXRLBYIF-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001316770954 1384569627 /nfs/dbraw/zinc/56/96/27/1384569627.db2.gz QFAPXVYANCOWNI-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C)[NH+](C)C ZINC001316797524 1384587768 /nfs/dbraw/zinc/58/77/68/1384587768.db2.gz NBYDHSODKFZBMP-NZSAHSFTSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001316802142 1384590057 /nfs/dbraw/zinc/59/00/57/1384590057.db2.gz FLMFSCBXBQSVDQ-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316804331 1384593503 /nfs/dbraw/zinc/59/35/03/1384593503.db2.gz GRFUWTPKJFHMGF-GRMGMVGISA-N 2 0 349.563 3.386 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001316804494 1384594740 /nfs/dbraw/zinc/59/47/40/1384594740.db2.gz NUMSSQDQDMIQTR-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)Cc1ccc(C)cc1 ZINC001316806730 1384599109 /nfs/dbraw/zinc/59/91/09/1384599109.db2.gz MMVFQWHTKJPAOG-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC001316831065 1384624210 /nfs/dbraw/zinc/62/42/10/1384624210.db2.gz UXDLXURQAKQIGC-UXHICEINSA-N 2 0 345.531 3.088 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCC1 ZINC001316835314 1384626257 /nfs/dbraw/zinc/62/62/57/1384626257.db2.gz NGMPUEBPIPASPP-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001316870527 1384655917 /nfs/dbraw/zinc/65/59/17/1384655917.db2.gz PUPFFKBYEPEDFM-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001316875471 1384660590 /nfs/dbraw/zinc/66/05/90/1384660590.db2.gz FSEQPZLXWFMNON-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1cc(C)ccc1C ZINC001316898013 1384676646 /nfs/dbraw/zinc/67/66/46/1384676646.db2.gz BDDMLESSSLSHBU-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)C2CC2)c1 ZINC001316914288 1384685337 /nfs/dbraw/zinc/68/53/37/1384685337.db2.gz LQGRQTGUUWDGOR-XLIONFOSSA-N 2 0 343.515 3.121 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001316955723 1384727393 /nfs/dbraw/zinc/72/73/93/1384727393.db2.gz VORMXQGSNCGTRG-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317035729 1384805426 /nfs/dbraw/zinc/80/54/26/1384805426.db2.gz NZXNGGXWBNHSQX-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCC2CC2)C1 ZINC001317046147 1384821483 /nfs/dbraw/zinc/82/14/83/1384821483.db2.gz XMAPQDJFSZGCRB-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317082285 1384845680 /nfs/dbraw/zinc/84/56/80/1384845680.db2.gz MRHCXWJUEVLXJY-LNLFQRSKSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001317084968 1384847880 /nfs/dbraw/zinc/84/78/80/1384847880.db2.gz CFQODXFOSARBLO-FHWLQOOXSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317100626 1384864435 /nfs/dbraw/zinc/86/44/35/1384864435.db2.gz VGYRQZREBQEWBF-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317102952 1384866356 /nfs/dbraw/zinc/86/63/56/1384866356.db2.gz CSZOYFUXPOBLFW-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@@H]21 ZINC001317103942 1384867328 /nfs/dbraw/zinc/86/73/28/1384867328.db2.gz HRLJPGBGBMEZIR-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CC3CCC3)CC[C@@H]21)CC(C)(C)C ZINC001317105976 1384869185 /nfs/dbraw/zinc/86/91/85/1384869185.db2.gz PKCRICVMHYECBB-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]21 ZINC001317106211 1384870542 /nfs/dbraw/zinc/87/05/42/1384870542.db2.gz SNSPYVNIUSXLQF-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc(C[N@H+]2CCCC[C@@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001317178282 1384952497 /nfs/dbraw/zinc/95/24/97/1384952497.db2.gz BCUPWGHYLISTCF-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001317194179 1384968628 /nfs/dbraw/zinc/96/86/28/1384968628.db2.gz IPRJJQAHAPJXOS-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC/C=C/c1ccccc1 ZINC001317294818 1385067092 /nfs/dbraw/zinc/06/70/92/1385067092.db2.gz RLBQNJPUQKXETP-YWZKXWNWSA-N 2 0 343.515 3.059 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317383879 1385108733 /nfs/dbraw/zinc/10/87/33/1385108733.db2.gz QICDDNPDGSSTKL-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001317415167 1385125219 /nfs/dbraw/zinc/12/52/19/1385125219.db2.gz IUZAYQSGMUZRCQ-HUUCEWRRSA-N 2 0 339.911 3.226 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001317414973 1385125335 /nfs/dbraw/zinc/12/53/35/1385125335.db2.gz GIPZRYCCGQXLKV-ICSRJNTNSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001317431168 1385135788 /nfs/dbraw/zinc/13/57/88/1385135788.db2.gz GCLYRBPABSNXRL-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001317433269 1385136991 /nfs/dbraw/zinc/13/69/91/1385136991.db2.gz DQXIWUKNSZFNEQ-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CCC1CCCCC1 ZINC001317491660 1385192343 /nfs/dbraw/zinc/19/23/43/1385192343.db2.gz DQOHZSKYNVBRHZ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317501369 1385203824 /nfs/dbraw/zinc/20/38/24/1385203824.db2.gz HYECRLNUDJWKLJ-JGAFRWBPSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317513247 1385225809 /nfs/dbraw/zinc/22/58/09/1385225809.db2.gz IZETXKSOJPKAPQ-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317524103 1385244047 /nfs/dbraw/zinc/24/40/47/1385244047.db2.gz YCKMOLYLICWPAP-PWBPZBFBSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001317596045 1385349031 /nfs/dbraw/zinc/34/90/31/1385349031.db2.gz FVIRLNCFVKZFIK-MOPGFXCFSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@@H](C)CC(C)C)CC[N@@H+]1C ZINC001317734764 1385429824 /nfs/dbraw/zinc/42/98/24/1385429824.db2.gz LCUZKYAJUANGNN-UHZRXMQZSA-N 2 0 349.563 3.074 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317917253 1385567164 /nfs/dbraw/zinc/56/71/64/1385567164.db2.gz YUELVVVTEAIRFF-KJBZUCPPSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317917238 1385567460 /nfs/dbraw/zinc/56/74/60/1385567460.db2.gz FIPHGKMIPPSNLU-RLWBPELLSA-N 2 0 349.563 3.434 10 0 EGAERP 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10 0 EGAERP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001331296248 1389690080 /nfs/dbraw/zinc/69/00/80/1389690080.db2.gz NKULNMPKZXXJHX-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCCC(C)(C)C ZINC001331561236 1389799322 /nfs/dbraw/zinc/79/93/22/1389799322.db2.gz PWYQNVCIGFOADJ-INIZCTEOSA-N 2 0 327.557 3.227 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001331561549 1389800476 /nfs/dbraw/zinc/80/04/76/1389800476.db2.gz UKIGACDLDQWRDQ-YOEHRIQHSA-N 2 0 347.528 3.178 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001698753777 1406404976 /nfs/dbraw/zinc/40/49/76/1406404976.db2.gz SNIISGIDJWZPEX-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001331943784 1389921194 /nfs/dbraw/zinc/92/11/94/1389921194.db2.gz KUSWBPHYGHLDEX-YLJYHZDGSA-N 2 0 345.531 3.377 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001332031172 1389952499 /nfs/dbraw/zinc/95/24/99/1389952499.db2.gz JNOZCUHVMONLFE-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2 ZINC001332114788 1389992448 /nfs/dbraw/zinc/99/24/48/1389992448.db2.gz AISDXQKSNTVQCN-TZIWHRDSSA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001332206560 1390043048 /nfs/dbraw/zinc/04/30/48/1390043048.db2.gz OOVCGAOHLJVVHZ-NUQYTELCSA-N 2 0 337.552 3.290 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001332898206 1390211877 /nfs/dbraw/zinc/21/18/77/1390211877.db2.gz HDEWQCGOPSUEBB-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CC2)CC1 ZINC001333181443 1390262845 /nfs/dbraw/zinc/26/28/45/1390262845.db2.gz ZUJILMSTOXWWJI-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798116 1406469477 /nfs/dbraw/zinc/46/94/77/1406469477.db2.gz KWFWOQFJZXAODF-PHWHVTFISA-N 2 0 347.547 3.093 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC001348853120 1391275634 /nfs/dbraw/zinc/27/56/34/1391275634.db2.gz RPVXAHIGKARSFL-WCIQWLHISA-N 2 0 325.431 3.305 10 0 EGAERP C[NH+](C)C1(C)CC[NH+](C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001351558606 1391651953 /nfs/dbraw/zinc/65/19/53/1391651953.db2.gz OLNCZXDUFMPTJN-MRXNPFEDSA-N 2 0 339.524 3.050 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827257 1406520567 /nfs/dbraw/zinc/52/05/67/1406520567.db2.gz CEJZHLJOZKZOKO-MAUKXSAKSA-N 2 0 349.544 3.092 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001479259805 1392200248 /nfs/dbraw/zinc/20/02/48/1392200248.db2.gz CLYCDXGXKGXWSU-IEBWSBKVSA-N 2 0 331.504 3.012 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)[C@@H]1CC)[NH+](C)C ZINC001479636555 1392299409 /nfs/dbraw/zinc/29/94/09/1392299409.db2.gz DHCYEHBJRBFBSY-XUVXKRRUSA-N 2 0 345.531 3.113 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C ZINC001479645276 1392303931 /nfs/dbraw/zinc/30/39/31/1392303931.db2.gz NSLAPOLBUWHDCD-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479686791 1392319353 /nfs/dbraw/zinc/31/93/53/1392319353.db2.gz TYYKPTYLNLWZOX-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001479693977 1392324777 /nfs/dbraw/zinc/32/47/77/1392324777.db2.gz JHAJIKUXOKGWOL-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479745955 1392362491 /nfs/dbraw/zinc/36/24/91/1392362491.db2.gz QCLDPEFVAKSODE-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001479870667 1392446933 /nfs/dbraw/zinc/44/69/33/1392446933.db2.gz KUEJDRLLOKVZJP-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[NH+](CC2CCCCCC2)C2CC2)C1 ZINC001479875783 1392452217 /nfs/dbraw/zinc/45/22/17/1392452217.db2.gz HLGNGTOYIIFPFY-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001479988856 1392520449 /nfs/dbraw/zinc/52/04/49/1392520449.db2.gz VNEASTJUXWBNBU-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001480027921 1392540343 /nfs/dbraw/zinc/54/03/43/1392540343.db2.gz ZBTKDDFGCYQWFC-MOPGFXCFSA-N 2 0 349.563 3.027 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480145042 1392600657 /nfs/dbraw/zinc/60/06/57/1392600657.db2.gz JFKUPFQIIHPLFR-KZMDAOGPSA-N 2 0 335.536 3.233 10 0 EGAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+](CC)CC ZINC001480181792 1392613822 /nfs/dbraw/zinc/61/38/22/1392613822.db2.gz CJGLLWHWIBFVDX-IPQPSQTFSA-N 2 0 335.536 3.019 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC ZINC001480373649 1392716293 /nfs/dbraw/zinc/71/62/93/1392716293.db2.gz RCUJUBRMOSDPPA-RTBURBONSA-N 2 0 337.552 3.364 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480646117 1392835334 /nfs/dbraw/zinc/83/53/34/1392835334.db2.gz OJXBHMJLZJDXJX-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH2+]CCc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001480715001 1392876813 /nfs/dbraw/zinc/87/68/13/1392876813.db2.gz QUVQRTIXTUTYQV-GOSISDBHSA-N 2 0 345.531 3.109 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC=C(C)C)C2CCCCC2)CC[N@@H+]1C ZINC001698879794 1406606922 /nfs/dbraw/zinc/60/69/22/1406606922.db2.gz LCJSPIKIMIBCCS-XUVXKRRUSA-N 2 0 349.563 3.338 10 0 EGAERP CC[C@H](C(=O)NCC[N@H+](CC)Cc1cc2ccccc2s1)[NH+](C)C ZINC001480982610 1393066731 /nfs/dbraw/zinc/06/67/31/1393066731.db2.gz BSDZBCSTHMONFO-QGZVFWFLSA-N 2 0 347.528 3.180 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001481108128 1393121478 /nfs/dbraw/zinc/12/14/78/1393121478.db2.gz PPYHFGNSXRSUKE-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001481173486 1393141575 /nfs/dbraw/zinc/14/15/75/1393141575.db2.gz JUSBCAJEPUTSCC-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001481340612 1393167924 /nfs/dbraw/zinc/16/79/24/1393167924.db2.gz SPTKEWPKDYJJDQ-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1cccc(C[N@@H+](CCCNC(=O)C2CC[NH+](C)CC2)C(C)C)c1 ZINC001481353858 1393175123 /nfs/dbraw/zinc/17/51/23/1393175123.db2.gz JDTJBALZIGCFQI-UHFFFAOYSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001698884391 1406616917 /nfs/dbraw/zinc/61/69/17/1406616917.db2.gz LNOLMRRZLQEBCN-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001481402130 1394252489 /nfs/dbraw/zinc/25/24/89/1394252489.db2.gz SSZLWWTVIOFQMM-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001490666067 1394290167 /nfs/dbraw/zinc/29/01/67/1394290167.db2.gz XZLFUNYTMJJNJY-ICSRJNTNSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490785252 1394345112 /nfs/dbraw/zinc/34/51/12/1394345112.db2.gz YNHWJIUGIDYTHS-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481500215 1394346835 /nfs/dbraw/zinc/34/68/35/1394346835.db2.gz DUHPLXRKTGSUCC-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001490837460 1394359088 /nfs/dbraw/zinc/35/90/88/1394359088.db2.gz BOVJTKXAUVFUCP-RJCMGOLDSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001490949360 1394382738 /nfs/dbraw/zinc/38/27/38/1394382738.db2.gz GWWAFXLONDJLNM-VAMGGRTRSA-N 2 0 345.531 3.133 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001481683235 1394447447 /nfs/dbraw/zinc/44/74/47/1394447447.db2.gz PPJWCPDMJNXNNE-SLFFLAALSA-N 2 0 349.563 3.362 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001491210643 1394473155 /nfs/dbraw/zinc/47/31/55/1394473155.db2.gz SRQCMMACESLHJV-UXHICEINSA-N 2 0 343.515 3.032 10 0 EGAERP C[N@H+](CCC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1)CC1CC(C)(C)C1 ZINC001698953338 1406697151 /nfs/dbraw/zinc/69/71/51/1406697151.db2.gz DGABYDBUWUJBEU-LJQANCHMSA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001491642359 1394523708 /nfs/dbraw/zinc/52/37/08/1394523708.db2.gz VTERIYRAUJXJAP-XLIONFOSSA-N 2 0 343.515 3.274 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481781381 1394525997 /nfs/dbraw/zinc/52/59/97/1394525997.db2.gz CKGRZDCLIPUNFN-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCC(C)(C)CC1 ZINC001481871112 1394569715 /nfs/dbraw/zinc/56/97/15/1394569715.db2.gz RDXAWKANJNNHQK-NQIIRXRSSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCCC2CCCC2)C2CC2)CC1 ZINC001481941299 1394608349 /nfs/dbraw/zinc/60/83/49/1394608349.db2.gz QPCBDGKRNBBEHN-OAQYLSRUSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481973899 1394636443 /nfs/dbraw/zinc/63/64/43/1394636443.db2.gz HANSTXYTGSTXRS-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001482024086 1394681986 /nfs/dbraw/zinc/68/19/86/1394681986.db2.gz LKICZIAHLNSKNM-MUGJNUQGSA-N 2 0 349.563 3.457 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001482026680 1394685122 /nfs/dbraw/zinc/68/51/22/1394685122.db2.gz ZXMVISCKQPYIOG-VPLLLXJESA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001482033677 1394693062 /nfs/dbraw/zinc/69/30/62/1394693062.db2.gz NRZGIZGBBBTUDM-UHFFFAOYSA-N 2 0 343.515 3.091 10 0 EGAERP CC1CCC(C[NH2+]Cc2ccc(CNC(=O)CC[NH+](C)C)cc2)CC1 ZINC001482034465 1394695079 /nfs/dbraw/zinc/69/50/79/1394695079.db2.gz OFXVTICNAWLLNV-UHFFFAOYSA-N 2 0 345.531 3.170 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CCC(C)(C)C ZINC001482101633 1394746991 /nfs/dbraw/zinc/74/69/91/1394746991.db2.gz OEODOFHZARNYED-MRXNPFEDSA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001482317963 1394889105 /nfs/dbraw/zinc/88/91/05/1394889105.db2.gz SWKIGOIYLDSZQN-MJGOQNOKSA-N 2 0 345.531 3.449 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001482405874 1394968558 /nfs/dbraw/zinc/96/85/58/1394968558.db2.gz JZZWPZRHLDXHKR-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001482437625 1394998562 /nfs/dbraw/zinc/99/85/62/1394998562.db2.gz PXRXCUXPEMEFFR-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001482459044 1395017121 /nfs/dbraw/zinc/01/71/21/1395017121.db2.gz SBHZTSOYRDCXFQ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001698971032 1406734668 /nfs/dbraw/zinc/73/46/68/1406734668.db2.gz FSEJQVYNQFBBFD-HXUWFJFHSA-N 2 0 341.499 3.022 10 0 EGAERP CCCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001482504243 1395057306 /nfs/dbraw/zinc/05/73/06/1395057306.db2.gz KPKGMTDUTALLOQ-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[N@H+](C)CCC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001482508087 1395061726 /nfs/dbraw/zinc/06/17/26/1395061726.db2.gz NAKWAYKIFHUISW-PRPIBZDOSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001483843629 1395110021 /nfs/dbraw/zinc/11/00/21/1395110021.db2.gz WEMQTYWCMYZORK-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483845718 1395111885 /nfs/dbraw/zinc/11/18/85/1395111885.db2.gz AXEXLRIHOIVWHL-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@H]1C ZINC001483913130 1395141869 /nfs/dbraw/zinc/14/18/69/1395141869.db2.gz FLWBONGAGATAMW-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001483966238 1395166952 /nfs/dbraw/zinc/16/69/52/1395166952.db2.gz KNSQEVDNDJRREI-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001484022489 1395194877 /nfs/dbraw/zinc/19/48/77/1395194877.db2.gz VKQJXIOQTSNGPO-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2c(C)cc(C)cc2C)C1)[NH+](C)C ZINC001484048054 1395212762 /nfs/dbraw/zinc/21/27/62/1395212762.db2.gz AVVFUJIHKVCVDO-TZIWHRDSSA-N 2 0 345.531 3.033 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC(C)(C)C)C2 ZINC001484321495 1395339598 /nfs/dbraw/zinc/33/95/98/1395339598.db2.gz LNKIFGTXCOIAMD-KSZLIROESA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001484390474 1395359446 /nfs/dbraw/zinc/35/94/46/1395359446.db2.gz FAYVTKYPJGFCTQ-ACDBMABISA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccccc1C[N@H+](C)CC1CC(C)(C)C1 ZINC001484558060 1395439433 /nfs/dbraw/zinc/43/94/33/1395439433.db2.gz YOCLSFHZYFBFLD-UHFFFAOYSA-N 2 0 345.531 3.123 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484559738 1395442623 /nfs/dbraw/zinc/44/26/23/1395442623.db2.gz KJYFNJIHYVQRJL-APWZRJJASA-N 2 0 345.531 3.484 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001484640651 1395459226 /nfs/dbraw/zinc/45/92/26/1395459226.db2.gz FCJKGRNDGRKKFM-MRXNPFEDSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001484728123 1395491820 /nfs/dbraw/zinc/49/18/20/1395491820.db2.gz JWUUFXLQBHYMDS-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC)([NH2+]CC=C(C)C)CC2)C1 ZINC001484815332 1395548960 /nfs/dbraw/zinc/54/89/60/1395548960.db2.gz GOWIBDJILVYRMI-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CC[C@@H]3CCC[NH+]3C)cc2C1 ZINC001484874447 1395576815 /nfs/dbraw/zinc/57/68/15/1395576815.db2.gz RWYRPFBUHZINNX-FQEVSTJZSA-N 2 0 343.515 3.149 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001484927094 1395594682 /nfs/dbraw/zinc/59/46/82/1395594682.db2.gz HTNSLLAYCCALDB-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@@H](C)C1 ZINC001484985146 1395626399 /nfs/dbraw/zinc/62/63/99/1395626399.db2.gz CGAGDLJSTDUGSI-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485240528 1395734020 /nfs/dbraw/zinc/73/40/20/1395734020.db2.gz FYOBRVWUTBUOKG-FQDPEITESA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289345 1395766373 /nfs/dbraw/zinc/76/63/73/1395766373.db2.gz ZXPAWYDAWRDOOA-APWZRJJASA-N 2 0 345.531 3.015 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001485359049 1395833708 /nfs/dbraw/zinc/83/37/08/1395833708.db2.gz SKVKCKZBYJGPGO-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001485459560 1395933141 /nfs/dbraw/zinc/93/31/41/1395933141.db2.gz VKCGVJYRAHMJAA-UHFFFAOYSA-N 2 0 349.494 3.075 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485465708 1395940639 /nfs/dbraw/zinc/94/06/39/1395940639.db2.gz MIPINEFQRGLVQM-WOJBJXKFSA-N 2 0 345.531 3.244 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471173 1395945606 /nfs/dbraw/zinc/94/56/06/1395945606.db2.gz DHRGIZIENFCEJX-UXHICEINSA-N 2 0 345.531 3.020 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC001485480211 1395960533 /nfs/dbraw/zinc/96/05/33/1395960533.db2.gz RIPFEQGCYMCRAM-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC2CCCCC2)CC1(C)C ZINC001485571320 1396038024 /nfs/dbraw/zinc/03/80/24/1396038024.db2.gz JHGFACSJIKNWGH-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC001485582300 1396058995 /nfs/dbraw/zinc/05/89/95/1396058995.db2.gz OGUJHBYDZIVHJR-UTKZUKDTSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001485585071 1396060474 /nfs/dbraw/zinc/06/04/74/1396060474.db2.gz JZSJTLXUKVDFDT-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001485763726 1396139707 /nfs/dbraw/zinc/13/97/07/1396139707.db2.gz FCLXNUSAALDPJG-WOJBJXKFSA-N 2 0 349.563 3.362 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@@H]1C ZINC001486126995 1396179039 /nfs/dbraw/zinc/17/90/39/1396179039.db2.gz FPJPTSAFDXANAF-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486239433 1396187220 /nfs/dbraw/zinc/18/72/20/1396187220.db2.gz BIZUOJPDFZKQFN-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242512 1396188244 /nfs/dbraw/zinc/18/82/44/1396188244.db2.gz LQYIPBFJELEPTN-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCc1ccccc1C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001486365060 1396193334 /nfs/dbraw/zinc/19/33/34/1396193334.db2.gz ODCXFYLYXMJDHB-HXUWFJFHSA-N 2 0 345.531 3.012 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001505400432 1396288087 /nfs/dbraw/zinc/28/80/87/1396288087.db2.gz PIKRMPOSUALQTI-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001491966458 1396301653 /nfs/dbraw/zinc/30/16/53/1396301653.db2.gz ZFUPOBTZXWTETL-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877989 1396327864 /nfs/dbraw/zinc/32/78/64/1396327864.db2.gz FHGQPUVMRWZXOW-LPHOPBHVSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001494241922 1396407795 /nfs/dbraw/zinc/40/77/95/1396407795.db2.gz WBFZUOLJOBMXIN-WLMAVBAVSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001494250630 1396409655 /nfs/dbraw/zinc/40/96/55/1396409655.db2.gz HXQHTUUSRXWNHN-HMTUNPETSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001699004008 1406821332 /nfs/dbraw/zinc/82/13/32/1406821332.db2.gz KROCMVCQLQEGNH-RTBURBONSA-N 2 0 345.531 3.066 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001495918751 1396572222 /nfs/dbraw/zinc/57/22/22/1396572222.db2.gz KTZCATACADTEIB-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496053858 1396592283 /nfs/dbraw/zinc/59/22/83/1396592283.db2.gz CSCPCUMWENJBPG-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001496350365 1396660861 /nfs/dbraw/zinc/66/08/61/1396660861.db2.gz HKDQEUROGHPEOE-XOIGSVRCSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001496373071 1396673564 /nfs/dbraw/zinc/67/35/64/1396673564.db2.gz CGQDNPFJAIBIPV-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)C1 ZINC001497255905 1396739600 /nfs/dbraw/zinc/73/96/00/1396739600.db2.gz OFNDRVMTAKNFQB-IRXDYDNUSA-N 2 0 325.541 3.029 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCCC1CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497615026 1396773598 /nfs/dbraw/zinc/77/35/98/1396773598.db2.gz ZBGNEFOAUGMLGE-UHDDOPSISA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001497764558 1396834043 /nfs/dbraw/zinc/83/40/43/1396834043.db2.gz PEANSFCJQIKMIX-FUTAKVPZSA-N 2 0 347.478 3.025 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CCCCCC2)C1 ZINC001497885336 1396870691 /nfs/dbraw/zinc/87/06/91/1396870691.db2.gz PDULEOKEUJQMKI-IEBWSBKVSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001497891324 1396874935 /nfs/dbraw/zinc/87/49/35/1396874935.db2.gz SIJMOLFYPQOMMG-UWVAXJGDSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699029065 1406866711 /nfs/dbraw/zinc/86/67/11/1406866711.db2.gz OETUEKUSPOPDLS-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CCCNC(=O)c1cccc2nccn21)[C@H]1CCc2ccccc21 ZINC001689815294 1404153858 /nfs/dbraw/zinc/15/38/58/1404153858.db2.gz KHNVEVRLLOOCLC-SFHVURJKSA-N 2 0 348.450 3.074 10 0 EGAERP Cc1cc(C)cc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001689821090 1404160204 /nfs/dbraw/zinc/16/02/04/1404160204.db2.gz NRFNPCMHVGSRHJ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001689828411 1404163005 /nfs/dbraw/zinc/16/30/05/1404163005.db2.gz HWSKRMROEKDELS-JZXOWHBKSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H](C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001689859131 1404173384 /nfs/dbraw/zinc/17/33/84/1404173384.db2.gz NBNNXIGNTMCZCW-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001689862087 1404174080 /nfs/dbraw/zinc/17/40/80/1404174080.db2.gz MHZBYFNVWPFQIS-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001689906743 1404199898 /nfs/dbraw/zinc/19/98/98/1404199898.db2.gz URISTJQUNKSELT-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689912176 1404205739 /nfs/dbraw/zinc/20/57/39/1404205739.db2.gz RLBYOHHKMHWSFP-IAGOWNOFSA-N 2 0 325.541 3.122 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCC1CCCCC1 ZINC001689932411 1404214387 /nfs/dbraw/zinc/21/43/87/1404214387.db2.gz AICUQUSGLOCSOX-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001690027643 1404266683 /nfs/dbraw/zinc/26/66/83/1404266683.db2.gz TYMZBAXHKSBIJW-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001690108474 1404305288 /nfs/dbraw/zinc/30/52/88/1404305288.db2.gz APQKVHOAMFFMEX-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001690134065 1404330307 /nfs/dbraw/zinc/33/03/07/1404330307.db2.gz DCKHNDSMWNEKKB-HTJOGQSXSA-N 2 0 349.563 3.386 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690189452 1404391677 /nfs/dbraw/zinc/39/16/77/1404391677.db2.gz UDOFJTBASKCFPM-FQQSSWHASA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001690381323 1404512850 /nfs/dbraw/zinc/51/28/50/1404512850.db2.gz LYNCNZSRVHEYRS-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC1CC1 ZINC001690490789 1404604496 /nfs/dbraw/zinc/60/44/96/1404604496.db2.gz FDJIBRLVQJEPDR-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001690606098 1404649043 /nfs/dbraw/zinc/64/90/43/1404649043.db2.gz GHXBRYAFZBTBRY-MRXNPFEDSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC1=CCCCC1 ZINC001690650646 1404681823 /nfs/dbraw/zinc/68/18/23/1404681823.db2.gz OLNVRQQIGFAPMD-KRWDZBQOSA-N 2 0 343.515 3.347 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001690650999 1404682812 /nfs/dbraw/zinc/68/28/12/1404682812.db2.gz WHGAPDWFTKDQTH-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690757573 1404711934 /nfs/dbraw/zinc/71/19/34/1404711934.db2.gz LTGBBKRUWIOFHK-IBGZPJMESA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)c1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725174133 1425687839 /nfs/dbraw/zinc/68/78/39/1425687839.db2.gz JPZOFJNISFQDKL-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001690867351 1404786216 /nfs/dbraw/zinc/78/62/16/1404786216.db2.gz SFVCBMARERBJGS-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690905766 1404814778 /nfs/dbraw/zinc/81/47/78/1404814778.db2.gz NUKMITKCJMDKLA-ACBHZAAOSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)CCC(C)(C)C ZINC001690955244 1404864073 /nfs/dbraw/zinc/86/40/73/1404864073.db2.gz OHPKNZRHEIMTSE-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1Cc1ccc(C(C)C)cc1 ZINC001691068208 1404996235 /nfs/dbraw/zinc/99/62/35/1404996235.db2.gz JQRJNRCDBIHIFS-HXUWFJFHSA-N 2 0 345.531 3.185 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001691105839 1405045814 /nfs/dbraw/zinc/04/58/14/1405045814.db2.gz LHMYRZORECZVNQ-RBUKOAKNSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691113929 1405054841 /nfs/dbraw/zinc/05/48/41/1405054841.db2.gz YLMQHEIIKQMJGM-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001691230594 1405169744 /nfs/dbraw/zinc/16/97/44/1405169744.db2.gz JYAVEXGFAUFTTK-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)c1 ZINC001691249272 1405180928 /nfs/dbraw/zinc/18/09/28/1405180928.db2.gz LDCRAYCHVBCREQ-GBESFXJTSA-N 2 0 345.531 3.191 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001691306531 1405200096 /nfs/dbraw/zinc/20/00/96/1405200096.db2.gz VDKVKLMRKHCADS-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CC1CCCCC1 ZINC001691306768 1405200168 /nfs/dbraw/zinc/20/01/68/1405200168.db2.gz WUNHRIDHEWWVKN-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001691317064 1405204280 /nfs/dbraw/zinc/20/42/80/1405204280.db2.gz LFFGUJOOATZAIM-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392429 1405230280 /nfs/dbraw/zinc/23/02/80/1405230280.db2.gz QIEHUMOWBZAYPZ-OVKVCFKUSA-N 2 0 349.563 3.388 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CC2CC2)CC1 ZINC001691409692 1405247368 /nfs/dbraw/zinc/24/73/68/1405247368.db2.gz GEIOGMILXYPRCA-UYAOXDASSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001691620334 1405361299 /nfs/dbraw/zinc/36/12/99/1405361299.db2.gz JKEINUYPFQUDJF-RBUKOAKNSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001691636925 1405372605 /nfs/dbraw/zinc/37/26/05/1405372605.db2.gz PHSLRDQDADGFAD-ICSRJNTNSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691739132 1405461019 /nfs/dbraw/zinc/46/10/19/1405461019.db2.gz WUHXVZWTVCZGPG-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001691740696 1405462714 /nfs/dbraw/zinc/46/27/14/1405462714.db2.gz BOKGYKPAZAXZPU-TWPWWVQHSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001691819830 1405536048 /nfs/dbraw/zinc/53/60/48/1405536048.db2.gz YNCYFSOXCPAIMT-ZWKOTPCHSA-N 2 0 339.568 3.226 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001691823375 1405539080 /nfs/dbraw/zinc/53/90/80/1405539080.db2.gz NKXFYSCOOANRPB-OJXHRBAXSA-N 2 0 343.943 3.078 10 0 EGAERP O=C(NCC[C@H]1CC[N@H+](CCC2CC2)C1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001691893714 1405617324 /nfs/dbraw/zinc/61/73/24/1405617324.db2.gz UIEYFRWCKNGTFI-ICSRJNTNSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](CCC(C)(C)C)CC2 ZINC001691960355 1405677324 /nfs/dbraw/zinc/67/73/24/1405677324.db2.gz PIIRKDSWENRDFP-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001692101339 1405771796 /nfs/dbraw/zinc/77/17/96/1405771796.db2.gz DIRBHSKNUMSBNP-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692104682 1405773446 /nfs/dbraw/zinc/77/34/46/1405773446.db2.gz YTMNXWZLZWGBPM-IEBWSBKVSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001692119861 1405781678 /nfs/dbraw/zinc/78/16/78/1405781678.db2.gz MYAJEMDAPBSYKN-UYAOXDASSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001692121266 1405783620 /nfs/dbraw/zinc/78/36/20/1405783620.db2.gz QXTVKWQGXUXYSV-XSAZBNQGSA-N 2 0 337.552 3.290 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001692139285 1405794392 /nfs/dbraw/zinc/79/43/92/1405794392.db2.gz GTXVRSCEEOMOLE-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001692257568 1405885502 /nfs/dbraw/zinc/88/55/02/1405885502.db2.gz JAYPDZVYDSWMKX-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001692333272 1405952570 /nfs/dbraw/zinc/95/25/70/1405952570.db2.gz MJBQTJICRWOFDP-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1 ZINC001692336195 1405956648 /nfs/dbraw/zinc/95/66/48/1405956648.db2.gz IBAMUGJIHBJDQF-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001698554422 1406152225 /nfs/dbraw/zinc/15/22/25/1406152225.db2.gz JNJLISOXGPHMKJ-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001698567839 1406170893 /nfs/dbraw/zinc/17/08/93/1406170893.db2.gz BZCCVYNQNHLMIJ-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698569797 1406173667 /nfs/dbraw/zinc/17/36/67/1406173667.db2.gz PZIXKGXUCHIYFX-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001698584021 1406198660 /nfs/dbraw/zinc/19/86/60/1406198660.db2.gz ZAUOTBYAYAILLN-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001698588207 1406207412 /nfs/dbraw/zinc/20/74/12/1406207412.db2.gz NSVALHIQSJTJFK-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCCC(C)(C)C ZINC001698601604 1406227737 /nfs/dbraw/zinc/22/77/37/1406227737.db2.gz RNPHYMDRVVPCFK-IXDOHACOSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732161687 1428404639 /nfs/dbraw/zinc/40/46/39/1428404639.db2.gz DJZIRPIUYAFIKE-QWNKOJSDSA-N 2 0 340.471 3.145 10 0 EGAERP CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732213333 1428461344 /nfs/dbraw/zinc/46/13/44/1428461344.db2.gz YBWZDUSIBMHMNE-LPHOPBHVSA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001732250262 1428492372 /nfs/dbraw/zinc/49/23/72/1428492372.db2.gz MXMKVZFLERGKHU-NRFANRHFSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280688 1428512677 /nfs/dbraw/zinc/51/26/77/1428512677.db2.gz LOFIVMAKMNLBEA-RXVVDRJESA-N 2 0 349.563 3.170 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732281194 1428513026 /nfs/dbraw/zinc/51/30/26/1428513026.db2.gz LRJUTFRZEWWFIT-LJQANCHMSA-N 2 0 345.531 3.055 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001732301262 1428519418 /nfs/dbraw/zinc/51/94/18/1428519418.db2.gz IUWKZGDHBLRPQO-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001732310480 1428523695 /nfs/dbraw/zinc/52/36/95/1428523695.db2.gz LTSLRUKLUKSMGH-XOPZRJDVSA-N 2 0 347.547 3.377 10 0 EGAERP CC(C)[C@H](C(=O)NCCC1CC[NH+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001732324838 1428533661 /nfs/dbraw/zinc/53/36/61/1428533661.db2.gz LSTDZFATFAMFGD-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001732441133 1428582583 /nfs/dbraw/zinc/58/25/83/1428582583.db2.gz YNACTIHZBRKSOC-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001699060938 1412492492 /nfs/dbraw/zinc/49/24/92/1412492492.db2.gz NOXXLJJZLSADAX-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001699060940 1412492586 /nfs/dbraw/zinc/49/25/86/1412492586.db2.gz NOXXLJJZLSADAX-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699121700 1412520309 /nfs/dbraw/zinc/52/03/09/1412520309.db2.gz AIIMGQQYBJYRFR-LXPRWKDFSA-N 2 0 337.552 3.029 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001699127263 1412522781 /nfs/dbraw/zinc/52/27/81/1412522781.db2.gz VYURXJSEPOWESH-QGZVFWFLSA-N 2 0 345.531 3.108 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699197929 1412567912 /nfs/dbraw/zinc/56/79/12/1412567912.db2.gz RWZMRYLYOJKADT-INIZCTEOSA-N 2 0 349.494 3.199 10 0 EGAERP CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC001699220117 1412584558 /nfs/dbraw/zinc/58/45/58/1412584558.db2.gz MOOKEXBHBBTKAF-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699220411 1412585072 /nfs/dbraw/zinc/58/50/72/1412585072.db2.gz TUBHCQUEGPHDJG-QUCCMNQESA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001699343508 1412652596 /nfs/dbraw/zinc/65/25/96/1412652596.db2.gz CVGZFMTVTLWIHX-QCUYKYDPSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001699390951 1412705187 /nfs/dbraw/zinc/70/51/87/1412705187.db2.gz MSMBTRFAVXPWMO-SJORKVTESA-N 2 0 339.483 3.091 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001699455083 1412798296 /nfs/dbraw/zinc/79/82/96/1412798296.db2.gz QDFQYRBTZNFPMR-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001699483734 1412879162 /nfs/dbraw/zinc/87/91/62/1412879162.db2.gz OIMVJAPSGRWXKW-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1C ZINC001699553746 1412920869 /nfs/dbraw/zinc/92/08/69/1412920869.db2.gz HQPVVVYHLQGALJ-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733667568 1429861331 /nfs/dbraw/zinc/86/13/31/1429861331.db2.gz WPMYDCQAZDYQQI-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001699681600 1413075764 /nfs/dbraw/zinc/07/57/64/1413075764.db2.gz RZCHQHXZKHSKNH-XVLXNVKGSA-N 2 0 337.552 3.265 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC001699695986 1413105396 /nfs/dbraw/zinc/10/53/96/1413105396.db2.gz XMMUITYMJBMHRL-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001699732572 1413144189 /nfs/dbraw/zinc/14/41/89/1413144189.db2.gz HFJQFKKGWGDULE-PLQXZHKYSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)CCC1 ZINC001699752652 1413160003 /nfs/dbraw/zinc/16/00/03/1413160003.db2.gz AQPNCKZYLAKDQI-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001699796097 1413205071 /nfs/dbraw/zinc/20/50/71/1413205071.db2.gz LJVFAJZJNRZNRN-UXHICEINSA-N 2 0 349.563 3.480 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001699806890 1413221703 /nfs/dbraw/zinc/22/17/03/1413221703.db2.gz VNOQXFGWUSJWTP-AZUAARDMSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001699824384 1413249481 /nfs/dbraw/zinc/24/94/81/1413249481.db2.gz DMWDSLBZDOOXGL-NRFANRHFSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699939959 1413383829 /nfs/dbraw/zinc/38/38/29/1413383829.db2.gz HQMNIRGGBBSBFV-AEFFLSMTSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001699970955 1413409156 /nfs/dbraw/zinc/40/91/56/1413409156.db2.gz RGNWBFYXSLMMGA-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001699976625 1413419276 /nfs/dbraw/zinc/41/92/76/1413419276.db2.gz RIHUYZRPOYHLDS-UFYCRDLUSA-N 2 0 347.547 3.022 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001699978711 1413423285 /nfs/dbraw/zinc/42/32/85/1413423285.db2.gz HXTFBJWHEHPYGX-LWYYNNOASA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001699991636 1413438763 /nfs/dbraw/zinc/43/87/63/1413438763.db2.gz SFPNPGWMEVABRJ-ZCNNSNEGSA-N 2 0 349.563 3.076 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001700011335 1413453119 /nfs/dbraw/zinc/45/31/19/1413453119.db2.gz HIGGCQCSTDWPIS-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001700011337 1413453480 /nfs/dbraw/zinc/45/34/80/1413453480.db2.gz HIGGCQCSTDWPIS-RBUKOAKNSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700077657 1413491823 /nfs/dbraw/zinc/49/18/23/1413491823.db2.gz JVHSPCSYBCGTTG-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700099804 1413517189 /nfs/dbraw/zinc/51/71/89/1413517189.db2.gz QFAALWFCYHHCSV-DEEXUGAQSA-N 2 0 343.515 3.261 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001700104435 1413522787 /nfs/dbraw/zinc/52/27/87/1413522787.db2.gz MZLPFXULVCPNKA-WTGUMLROSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001700104833 1413523435 /nfs/dbraw/zinc/52/34/35/1413523435.db2.gz YEFRGQUHVVBNQG-UFYCRDLUSA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700178632 1413589836 /nfs/dbraw/zinc/58/98/36/1413589836.db2.gz KMMCECITNUDXOD-IKLBINMZSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001700229785 1413687824 /nfs/dbraw/zinc/68/78/24/1413687824.db2.gz LVVVKQPUEBNYQF-BXKJMJEDSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001700272548 1413718444 /nfs/dbraw/zinc/71/84/44/1413718444.db2.gz CJCRHVXWPPVPLP-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001700289587 1413739477 /nfs/dbraw/zinc/73/94/77/1413739477.db2.gz RABBSDGTYMFBOO-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001732562477 1428752801 /nfs/dbraw/zinc/75/28/01/1428752801.db2.gz CLHLCNGSRZERHB-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001700316916 1413776255 /nfs/dbraw/zinc/77/62/55/1413776255.db2.gz ACSOJYXRLRMRTA-MJGOQNOKSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001700323952 1413791791 /nfs/dbraw/zinc/79/17/91/1413791791.db2.gz PMMQHITUBQQSHP-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@H](C)C1 ZINC001700323663 1413791850 /nfs/dbraw/zinc/79/18/50/1413791850.db2.gz JXOLCAQVEZCGCB-SJORKVTESA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001700378169 1413904722 /nfs/dbraw/zinc/90/47/22/1413904722.db2.gz YMOZHAJYGJBUCX-QLOJAFMTSA-N 2 0 347.547 3.234 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001700445433 1414020371 /nfs/dbraw/zinc/02/03/71/1414020371.db2.gz NVJXOPWEVIYERT-KRWDZBQOSA-N 2 0 333.520 3.082 10 0 EGAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccsc1 ZINC001700486073 1414131808 /nfs/dbraw/zinc/13/18/08/1414131808.db2.gz BUKJYWXMLQQAHG-OAHLLOKOSA-N 2 0 345.512 3.060 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCCC2CCC2)CCCCC1 ZINC001700520643 1414176123 /nfs/dbraw/zinc/17/61/23/1414176123.db2.gz ILLSTTGQGAWISL-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001700521883 1414177770 /nfs/dbraw/zinc/17/77/70/1414177770.db2.gz JVTNTGJYUASLRK-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001700527541 1414191057 /nfs/dbraw/zinc/19/10/57/1414191057.db2.gz WBLDQJYMPVRTNV-YZPMEYCISA-N 2 0 337.552 3.290 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CC3CCCCCC3)C[C@]2(C)C1 ZINC001700624112 1414296125 /nfs/dbraw/zinc/29/61/25/1414296125.db2.gz RKMPIFWBRIQVOS-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700671183 1414326837 /nfs/dbraw/zinc/32/68/37/1414326837.db2.gz ILIUCRDZHNZSOQ-BJLQDIEVSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700682411 1414336318 /nfs/dbraw/zinc/33/63/18/1414336318.db2.gz QJVGHPOFBYXRSJ-HKUYNNGSSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001700696683 1414353764 /nfs/dbraw/zinc/35/37/64/1414353764.db2.gz OTHATQQJKLCVND-QGZVFWFLSA-N 2 0 345.531 3.331 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCCCCC1 ZINC001700714368 1414372735 /nfs/dbraw/zinc/37/27/35/1414372735.db2.gz AVDDSIWDBWSJRD-LJQANCHMSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001700750714 1414420444 /nfs/dbraw/zinc/42/04/44/1414420444.db2.gz DJLUMWVIQMIFKN-YLJYHZDGSA-N 2 0 343.515 3.030 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001700829023 1414483912 /nfs/dbraw/zinc/48/39/12/1414483912.db2.gz NMVGNTUVGPDGGR-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)C[C@@H]2C)CC1 ZINC001700850758 1414499197 /nfs/dbraw/zinc/49/91/97/1414499197.db2.gz SRYHWOVWCPDXSJ-PXNSSMCTSA-N 2 0 349.563 3.266 10 0 EGAERP CCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001700853919 1414501518 /nfs/dbraw/zinc/50/15/18/1414501518.db2.gz OFJVQOMOVMNGGQ-HZPDHXFCSA-N 2 0 335.492 3.114 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@H]21 ZINC001700872715 1414525961 /nfs/dbraw/zinc/52/59/61/1414525961.db2.gz HWKYLLUUPKSFCN-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001700886778 1414545266 /nfs/dbraw/zinc/54/52/66/1414545266.db2.gz FESZZMRMIZJEOP-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905738 1414560592 /nfs/dbraw/zinc/56/05/92/1414560592.db2.gz VGHQUOZGTYQUNS-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001700922694 1414575107 /nfs/dbraw/zinc/57/51/07/1414575107.db2.gz DDESRFBGKBJCHH-ROUUACIJSA-N 2 0 335.536 3.042 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccccc2C)C(C)(C)C1 ZINC001700949004 1414587228 /nfs/dbraw/zinc/58/72/28/1414587228.db2.gz YCMXGADWMWPSTA-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700972430 1414599056 /nfs/dbraw/zinc/59/90/56/1414599056.db2.gz ILVRLACIXPPWAA-ICSRJNTNSA-N 2 0 349.563 3.386 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C)c1 ZINC001700980586 1414620695 /nfs/dbraw/zinc/62/06/95/1414620695.db2.gz LYCUIELZIDMHHW-UHFFFAOYSA-N 2 0 347.547 3.312 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001701011613 1414671259 /nfs/dbraw/zinc/67/12/59/1414671259.db2.gz SZSDCHCEUIQYQQ-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CCCCC2)C1 ZINC001701019254 1414680264 /nfs/dbraw/zinc/68/02/64/1414680264.db2.gz FIXCSXHEWHGJIW-XBMUEBEBSA-N 2 0 335.536 3.020 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732806539 1428984719 /nfs/dbraw/zinc/98/47/19/1428984719.db2.gz GTGQENMYBUKULW-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001732811379 1428989420 /nfs/dbraw/zinc/98/94/20/1428989420.db2.gz ASDVMJCBKANSAX-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001732812314 1428989912 /nfs/dbraw/zinc/98/99/12/1428989912.db2.gz NJLMKWDPBSJRJE-FQEVSTJZSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCCCCC2)C1 ZINC001732890560 1429031183 /nfs/dbraw/zinc/03/11/83/1429031183.db2.gz FTHNXUNNBBZDJM-WHXUGTBJSA-N 2 0 349.563 3.341 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1F ZINC001732941909 1429065872 /nfs/dbraw/zinc/06/58/72/1429065872.db2.gz HPPZSDOLSFCZBJ-CBVOVTJASA-N 2 0 347.478 3.023 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001732941851 1429066190 /nfs/dbraw/zinc/06/61/90/1429066190.db2.gz XLQRFPUWJIHBCU-VOTSOKGWSA-N 2 0 335.536 3.095 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001732984692 1429112475 /nfs/dbraw/zinc/11/24/75/1429112475.db2.gz XVJWMHQNJUFEHN-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001707146721 1417222015 /nfs/dbraw/zinc/22/20/15/1417222015.db2.gz VXCFBZSDQPTYBK-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001707232038 1417253835 /nfs/dbraw/zinc/25/38/35/1417253835.db2.gz BXJPMNVXQBQGEL-OALUTQOASA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001707234143 1417254951 /nfs/dbraw/zinc/25/49/51/1417254951.db2.gz KHUTXUYTONJLFR-DHJFXDNESA-N 2 0 335.536 3.188 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707247411 1417264940 /nfs/dbraw/zinc/26/49/40/1417264940.db2.gz PTPOCLDEUKXOHD-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707279511 1417287804 /nfs/dbraw/zinc/28/78/04/1417287804.db2.gz ZLEGMTANUFHENZ-XOUUWWQPSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001707281502 1417291582 /nfs/dbraw/zinc/29/15/82/1417291582.db2.gz PLYHTXJXXDRGBN-OOFWQKGWSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001707414071 1417322968 /nfs/dbraw/zinc/32/29/68/1417322968.db2.gz ZUKFBYUICBPQQM-GOSISDBHSA-N 2 0 345.531 3.226 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccc(C)c1 ZINC001707451933 1417355619 /nfs/dbraw/zinc/35/56/19/1417355619.db2.gz LYEBVWHMTVKCDD-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CC1CCC1 ZINC001713012857 1417566807 /nfs/dbraw/zinc/56/68/07/1417566807.db2.gz BKBIVPAWJAONGB-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)c1cccc(C)c1 ZINC001713016053 1417569618 /nfs/dbraw/zinc/56/96/18/1417569618.db2.gz NACAFQHIUSVMNF-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001713038167 1417589289 /nfs/dbraw/zinc/58/92/89/1417589289.db2.gz ZHUPMOYBYAAUBB-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001713098708 1417649423 /nfs/dbraw/zinc/64/94/23/1417649423.db2.gz TZSKRSQQQWGVAP-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001713102166 1417657073 /nfs/dbraw/zinc/65/70/73/1417657073.db2.gz OFJDCKDEPKIEBX-MJGOQNOKSA-N 2 0 335.536 3.116 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713150240 1417730829 /nfs/dbraw/zinc/73/08/29/1417730829.db2.gz PPSGLGLOQXLNSJ-WLMAVBAVSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001713175338 1417748560 /nfs/dbraw/zinc/74/85/60/1417748560.db2.gz YVWXTPABHRYESO-MXVIHJGJSA-N 2 0 347.547 3.380 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001713175474 1417748589 /nfs/dbraw/zinc/74/85/89/1417748589.db2.gz DMRNJWVVYSZHDA-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@H]21 ZINC001713182586 1417757171 /nfs/dbraw/zinc/75/71/71/1417757171.db2.gz OXJVLYINFAHGDC-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001713202991 1417773362 /nfs/dbraw/zinc/77/33/62/1417773362.db2.gz XHTGCTVFODATDW-RLLQIKCJSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713252684 1417845087 /nfs/dbraw/zinc/84/50/87/1417845087.db2.gz DSMNKJUJRGRSPL-ZRHASKPBSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001713257722 1417861317 /nfs/dbraw/zinc/86/13/17/1417861317.db2.gz ISHLQYPPTQALQO-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713263821 1417872272 /nfs/dbraw/zinc/87/22/72/1417872272.db2.gz KOTSMPXYMLTNFW-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001713264045 1417872284 /nfs/dbraw/zinc/87/22/84/1417872284.db2.gz VGIAFIFFDXVDLA-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713264910 1417872996 /nfs/dbraw/zinc/87/29/96/1417872996.db2.gz ZEJQEKIRQADKDC-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713373316 1417983877 /nfs/dbraw/zinc/98/38/77/1417983877.db2.gz BRVHWGVZQGZBER-HKVCONOFSA-N 2 0 347.547 3.378 10 0 EGAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCCCC1 ZINC001713419215 1418043602 /nfs/dbraw/zinc/04/36/02/1418043602.db2.gz WMMUGSVCKIQMNB-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC(C)(C)C ZINC001713421024 1418045875 /nfs/dbraw/zinc/04/58/75/1418045875.db2.gz ZCUZHWXNFMMRTL-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP Cc1cc(C)cc(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001713517516 1418254527 /nfs/dbraw/zinc/25/45/27/1418254527.db2.gz LUILMINSWDJAJX-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC001713664202 1418421946 /nfs/dbraw/zinc/42/19/46/1418421946.db2.gz KIOZUQJJOHJLLS-KRWDZBQOSA-N 2 0 339.483 3.045 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001713664445 1418421961 /nfs/dbraw/zinc/42/19/61/1418421961.db2.gz SZLBUQVIHXORMR-QGZVFWFLSA-N 2 0 331.504 3.015 10 0 EGAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001713682231 1418434183 /nfs/dbraw/zinc/43/41/83/1418434183.db2.gz XYAYMFNJYDLMDF-QGZVFWFLSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001713683553 1418436378 /nfs/dbraw/zinc/43/63/78/1418436378.db2.gz ZLDKFVBOJJRCMU-SJLPKXTDSA-N 2 0 339.568 3.226 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCC(C)CC1 ZINC001713695356 1418449327 /nfs/dbraw/zinc/44/93/27/1418449327.db2.gz SFWZRYOKHDLVBS-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001713700150 1418457442 /nfs/dbraw/zinc/45/74/42/1418457442.db2.gz BJDFDPFBFGSWIB-XLIONFOSSA-N 2 0 349.494 3.054 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001713716836 1418483127 /nfs/dbraw/zinc/48/31/27/1418483127.db2.gz XYPKTMTWTVWSLK-MISYRCLQSA-N 2 0 349.563 3.220 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001713719758 1418490218 /nfs/dbraw/zinc/49/02/18/1418490218.db2.gz HDGNJULBUHSUFS-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001713757265 1418562603 /nfs/dbraw/zinc/56/26/03/1418562603.db2.gz GDLGSAAGJBEJDW-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001713849976 1418645701 /nfs/dbraw/zinc/64/57/01/1418645701.db2.gz OGNNQWBNHCJSMS-VZSQWMKGSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713899334 1418698430 /nfs/dbraw/zinc/69/84/30/1418698430.db2.gz BLSQUQMSXYYZHV-FQEVSTJZSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713913413 1418709406 /nfs/dbraw/zinc/70/94/06/1418709406.db2.gz XBGLMMIYHJEACK-ZGXWSNOMSA-N 2 0 349.563 3.218 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001713973370 1418752871 /nfs/dbraw/zinc/75/28/71/1418752871.db2.gz HTNWSXAYWQHODO-NSHGMRRFSA-N 2 0 345.531 3.141 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001733180505 1429282569 /nfs/dbraw/zinc/28/25/69/1429282569.db2.gz HWTKNVMAHPKSTD-RYQLBKOJSA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714035850 1418824797 /nfs/dbraw/zinc/82/47/97/1418824797.db2.gz AIWMGABFJLXAMZ-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714044431 1418835831 /nfs/dbraw/zinc/83/58/31/1418835831.db2.gz QCOOGTARAQYKNE-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714065787 1418862326 /nfs/dbraw/zinc/86/23/26/1418862326.db2.gz KDHOQYMGILUMAW-SFFCAUCYSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075635 1418870093 /nfs/dbraw/zinc/87/00/93/1418870093.db2.gz YUEJFOYMUKZIJM-WOJBJXKFSA-N 2 0 345.531 3.161 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001714110413 1418912148 /nfs/dbraw/zinc/91/21/48/1418912148.db2.gz CXKBQWXWDBERMB-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001714124709 1418929141 /nfs/dbraw/zinc/92/91/41/1418929141.db2.gz GDPMOIVXVCACIQ-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714218498 1419014708 /nfs/dbraw/zinc/01/47/08/1419014708.db2.gz MBQQBXDMFKZMTJ-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001714238626 1419028220 /nfs/dbraw/zinc/02/82/20/1419028220.db2.gz GHYJMMIHWHRUAS-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCC3CCCCC3)C2)C1 ZINC001714238998 1419028744 /nfs/dbraw/zinc/02/87/44/1419028744.db2.gz KBHNFFQDLJXYAE-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc1ccsc1)c1ccccc1 ZINC001714291793 1419070333 /nfs/dbraw/zinc/07/03/33/1419070333.db2.gz SDIKVSOBCOXPFW-CRAIPNDOSA-N 2 0 345.512 3.035 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)CC1 ZINC001714317296 1419095510 /nfs/dbraw/zinc/09/55/10/1419095510.db2.gz WJHMJVRKCQSPKH-NZKYNAJMSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001714321057 1419099526 /nfs/dbraw/zinc/09/95/26/1419099526.db2.gz MGIICFKQHZHASE-PXNSSMCTSA-N 2 0 343.515 3.089 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001714444978 1419176570 /nfs/dbraw/zinc/17/65/70/1419176570.db2.gz DADJUCBLHCIHBH-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001714444974 1419176729 /nfs/dbraw/zinc/17/67/29/1419176729.db2.gz DADJUCBLHCIHBH-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001714484340 1419207807 /nfs/dbraw/zinc/20/78/07/1419207807.db2.gz GETMLWVBQBIKPV-IAGOWNOFSA-N 2 0 331.504 3.106 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001714484969 1419208233 /nfs/dbraw/zinc/20/82/33/1419208233.db2.gz LUFBFFRKTREAHD-LXPRWKDFSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001714490468 1419213710 /nfs/dbraw/zinc/21/37/10/1419213710.db2.gz GZGCQCUPBUFPJK-RTBURBONSA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NCC[N@H+](C)CCC2=CCCCC2)cc1 ZINC001714568440 1419297320 /nfs/dbraw/zinc/29/73/20/1419297320.db2.gz KQUQSEJIBQCRLD-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1csc(C)c1 ZINC001714594267 1419344739 /nfs/dbraw/zinc/34/47/39/1419344739.db2.gz KMPZYNJUEFOYRK-ZWKOTPCHSA-N 2 0 349.544 3.012 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC1CCCC1 ZINC001714600504 1419357305 /nfs/dbraw/zinc/35/73/05/1419357305.db2.gz VGFCKKKNCNYIAN-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP Cc1c(C(=O)N(C)[C@H](C)C[NH2+]CCCC2CCC2)ccc2c[nH+]cn21 ZINC001714677076 1419469814 /nfs/dbraw/zinc/46/98/14/1419469814.db2.gz PKPBRFZDUUPZDT-OAHLLOKOSA-N 2 0 342.487 3.273 10 0 EGAERP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001714754413 1419495220 /nfs/dbraw/zinc/49/52/20/1419495220.db2.gz ZBFRTJYLARZGLW-INIZCTEOSA-N 2 0 333.520 3.045 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)C)c2ccccc2)CC[N@@H+]1C ZINC001714835102 1419546669 /nfs/dbraw/zinc/54/66/69/1419546669.db2.gz GPHMTKGOXISGJL-SLFFLAALSA-N 2 0 345.531 3.210 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001714905710 1419648433 /nfs/dbraw/zinc/64/84/33/1419648433.db2.gz AGLMWIRWPOUYFM-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001714942532 1419687414 /nfs/dbraw/zinc/68/74/14/1419687414.db2.gz BGZYJKBJEJGYEA-IBGZPJMESA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001714945366 1419688539 /nfs/dbraw/zinc/68/85/39/1419688539.db2.gz OUKWNQOZDYWQCP-FQEVSTJZSA-N 2 0 345.531 3.020 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001715077846 1419812623 /nfs/dbraw/zinc/81/26/23/1419812623.db2.gz WNAKLHUMBFITBF-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1c(C(=O)NC2(C[NH2+]C/C=C/Cl)CCCC2)ccc2c[nH+]cn21 ZINC001715093254 1419833975 /nfs/dbraw/zinc/83/39/75/1419833975.db2.gz FTGHCRUGAFHAGM-RUDMXATFSA-N 2 0 346.862 3.027 10 0 EGAERP Cc1c(C(=O)NC2(C[NH2+]C/C=C\Cl)CCCC2)ccc2c[nH+]cn21 ZINC001715093257 1419834238 /nfs/dbraw/zinc/83/42/38/1419834238.db2.gz FTGHCRUGAFHAGM-WTKPLQERSA-N 2 0 346.862 3.027 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001715100656 1419841287 /nfs/dbraw/zinc/84/12/87/1419841287.db2.gz UXPUDTZZHJMRCC-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001715145682 1419891464 /nfs/dbraw/zinc/89/14/64/1419891464.db2.gz MCEOPIKHOHQPRR-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715157880 1419900399 /nfs/dbraw/zinc/90/03/99/1419900399.db2.gz LYCXUIXBPKKSRL-HXUWFJFHSA-N 2 0 349.563 3.437 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001715159163 1419901240 /nfs/dbraw/zinc/90/12/40/1419901240.db2.gz UDLPCGAJEURGJF-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CC=C(C)C)cc1 ZINC001715193301 1419925326 /nfs/dbraw/zinc/92/53/26/1419925326.db2.gz CELOQHMTZSMBBW-HXUWFJFHSA-N 2 0 343.515 3.233 10 0 EGAERP CC(C)CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001715195808 1419927880 /nfs/dbraw/zinc/92/78/80/1419927880.db2.gz LYECGUHUCBMEAU-HXUWFJFHSA-N 2 0 345.531 3.311 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715210639 1419943754 /nfs/dbraw/zinc/94/37/54/1419943754.db2.gz SGDINAOYMZEXPZ-OJBOGMDESA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001715238551 1419969140 /nfs/dbraw/zinc/96/91/40/1419969140.db2.gz ZWROPAAQMGTYTM-DPZZJQGRSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC3CC(C)(C)C3)CCCC2)CC1 ZINC001715307127 1420015863 /nfs/dbraw/zinc/01/58/63/1420015863.db2.gz JOIDBXMMUOHSDD-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715323055 1420030813 /nfs/dbraw/zinc/03/08/13/1420030813.db2.gz QYSKFKCUYNRRIC-UYAOXDASSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001715385310 1420081949 /nfs/dbraw/zinc/08/19/49/1420081949.db2.gz OINUXJUKIMZMDQ-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715395305 1420092827 /nfs/dbraw/zinc/09/28/27/1420092827.db2.gz XCXHGSCSBHFICP-IBGZPJMESA-N 2 0 337.552 3.029 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCCC1 ZINC001715404422 1420102949 /nfs/dbraw/zinc/10/29/49/1420102949.db2.gz KNLLOYUMQTUIAP-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715469154 1420148025 /nfs/dbraw/zinc/14/80/25/1420148025.db2.gz DRVOPHUTGPQNDF-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715561776 1420253560 /nfs/dbraw/zinc/25/35/60/1420253560.db2.gz SOWQOWIZPRMXQB-OBNUAKFSSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001715578612 1420260904 /nfs/dbraw/zinc/26/09/04/1420260904.db2.gz RTFFBUUOTKDLPK-WOJBJXKFSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CC2(CCC2)C1 ZINC001715663892 1420284855 /nfs/dbraw/zinc/28/48/55/1420284855.db2.gz WBLHQBGFFMOJJK-IBGZPJMESA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](CC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715679056 1420291104 /nfs/dbraw/zinc/29/11/04/1420291104.db2.gz XISZJERTKFZHPM-LNLFQRSKSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001715710343 1420305239 /nfs/dbraw/zinc/30/52/39/1420305239.db2.gz BCQPVXPTWJLCOW-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP C[NH+](C)C1(C(=O)NC/C=C/C[NH2+]CCC2CCCCCC2)CCC1 ZINC001715827055 1420358806 /nfs/dbraw/zinc/35/88/06/1420358806.db2.gz OLQCFUQONWFBLR-BQYQJAHWSA-N 2 0 335.536 3.093 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)c(C)c1 ZINC001715859687 1420370732 /nfs/dbraw/zinc/37/07/32/1420370732.db2.gz QYFLPWWBGPPUCJ-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC1=CCCCC1 ZINC001715869579 1420375854 /nfs/dbraw/zinc/37/58/54/1420375854.db2.gz DMWUHKYIWRETRT-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](C(=O)N(C)CC[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001715871240 1420377054 /nfs/dbraw/zinc/37/70/54/1420377054.db2.gz VSUQNMFLRRSZHI-QGZVFWFLSA-N 2 0 347.528 3.132 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001715911570 1420394349 /nfs/dbraw/zinc/39/43/49/1420394349.db2.gz ICPAFHIXJJAXPL-IYKSTZQJSA-N 2 0 337.895 3.003 10 0 EGAERP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+]C[C@H](C)NC(=O)CC[NH+](C)C ZINC001715993331 1420448104 /nfs/dbraw/zinc/44/81/04/1420448104.db2.gz UOIOVIRBQMJZDN-KRWDZBQOSA-N 2 0 347.547 3.147 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001716034800 1420494162 /nfs/dbraw/zinc/49/41/62/1420494162.db2.gz MIOPAEFODQUEDP-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCCC2)cs1 ZINC001716293779 1420596005 /nfs/dbraw/zinc/59/60/05/1420596005.db2.gz LCORKFQDPGQHMN-WAYWQWQTSA-N 2 0 349.544 3.083 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001733267536 1429427451 /nfs/dbraw/zinc/42/74/51/1429427451.db2.gz XMMPIICGNNHHRN-PRPIBZDOSA-N 2 0 349.563 3.245 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716437671 1420658399 /nfs/dbraw/zinc/65/83/99/1420658399.db2.gz TYQFDZDYGDAMHV-VMLVWOMUSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001716508737 1420740282 /nfs/dbraw/zinc/74/02/82/1420740282.db2.gz OWAOTWHUYUCAIP-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001716547131 1420756947 /nfs/dbraw/zinc/75/69/47/1420756947.db2.gz GIXVQAIZQHBFFD-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658711 1420813227 /nfs/dbraw/zinc/81/32/27/1420813227.db2.gz LMTFGSPPVBKTHD-RBUKOAKNSA-N 2 0 343.515 3.203 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CC1CC(C)(C)C1)C2 ZINC001716724284 1420882046 /nfs/dbraw/zinc/88/20/46/1420882046.db2.gz YOUXTHGIOCFHGY-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C(=O)N1CCC2(C1)CC[NH+](CCCC(C)C)CC2)[NH+](C)C ZINC001716727356 1420886388 /nfs/dbraw/zinc/88/63/88/1420886388.db2.gz AGBDWRWQPXXGJY-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC001716734015 1420892585 /nfs/dbraw/zinc/89/25/85/1420892585.db2.gz NXJDZJDURNFZAA-OAQYLSRUSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001716782397 1420919755 /nfs/dbraw/zinc/91/97/55/1420919755.db2.gz DGUUHJGCWBPXDS-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1nccn1CCCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001716786241 1420921725 /nfs/dbraw/zinc/92/17/25/1420921725.db2.gz IMJWHIFDOUIDLW-IBGZPJMESA-N 2 0 346.519 3.133 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)[NH+](C)C ZINC001716820967 1420947562 /nfs/dbraw/zinc/94/75/62/1420947562.db2.gz LGNVICXSJPSFKN-VQTJNVASSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001716830098 1420956663 /nfs/dbraw/zinc/95/66/63/1420956663.db2.gz JFENUSJGFKGKJO-OAQYLSRUSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716867724 1420996358 /nfs/dbraw/zinc/99/63/58/1420996358.db2.gz WARDIHHYWMDFBA-DPZZJQGRSA-N 2 0 347.547 3.047 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CCC2=CCCCC2)C1 ZINC001716872234 1420999867 /nfs/dbraw/zinc/99/98/67/1420999867.db2.gz BWFBVQDKAPEPTQ-HXUWFJFHSA-N 2 0 335.536 3.047 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC)c2ccccc2CC)C1 ZINC001716953845 1421049541 /nfs/dbraw/zinc/04/95/41/1421049541.db2.gz JLDXWQSBDJHXLW-ICSRJNTNSA-N 2 0 345.531 3.138 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001716996856 1421065860 /nfs/dbraw/zinc/06/58/60/1421065860.db2.gz FQJSFQREOWOETQ-FXAWDEMLSA-N 2 0 345.531 3.092 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717037935 1421091782 /nfs/dbraw/zinc/09/17/82/1421091782.db2.gz HHSSSEYOBGCNIM-ZCNNSNEGSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001717038084 1421092833 /nfs/dbraw/zinc/09/28/33/1421092833.db2.gz NKUHQEZLSVVXBM-WKOLEINNSA-N 2 0 347.547 3.140 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001717038778 1421093421 /nfs/dbraw/zinc/09/34/21/1421093421.db2.gz RDGDJWFZIAZDFY-VQTJNVASSA-N 2 0 347.547 3.118 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCC(C)C)C[C@H]21 ZINC001717042832 1421097397 /nfs/dbraw/zinc/09/73/97/1421097397.db2.gz IJUPIFDTGYLFIZ-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717125196 1421127667 /nfs/dbraw/zinc/12/76/67/1421127667.db2.gz FTAMQDOGJUDBSD-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001717128727 1421129685 /nfs/dbraw/zinc/12/96/85/1421129685.db2.gz KPLSQIUCESTOCX-FPLPWBNLSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001717201944 1421169702 /nfs/dbraw/zinc/16/97/02/1421169702.db2.gz LLGBFMDKEGZCGG-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001717207516 1421179131 /nfs/dbraw/zinc/17/91/31/1421179131.db2.gz FNOCAJRJZLPIEE-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP CC[C@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2)[NH+](CC)CC ZINC001733288212 1429464252 /nfs/dbraw/zinc/46/42/52/1429464252.db2.gz JMYPQENKJMMROD-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001717248081 1421219766 /nfs/dbraw/zinc/21/97/66/1421219766.db2.gz UPARBLRPLIRSQI-NRFANRHFSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001717298004 1421241360 /nfs/dbraw/zinc/24/13/60/1421241360.db2.gz RLLVWIBMIUQWMM-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)CC1 ZINC001733289274 1429466324 /nfs/dbraw/zinc/46/63/24/1429466324.db2.gz PJJBOQWXFRZAKE-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001733289233 1429466532 /nfs/dbraw/zinc/46/65/32/1429466532.db2.gz OWCLQSPVKFVBSV-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001717332446 1421268209 /nfs/dbraw/zinc/26/82/09/1421268209.db2.gz UQJJETSHZLRYSF-SJORKVTESA-N 2 0 337.552 3.265 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001717337995 1421275338 /nfs/dbraw/zinc/27/53/38/1421275338.db2.gz ONAZQTWJPJSQLP-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001717409575 1421342087 /nfs/dbraw/zinc/34/20/87/1421342087.db2.gz FJWBTYUZDGMNNM-DLBZAZTESA-N 2 0 335.536 3.234 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1CCCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001717459015 1421388264 /nfs/dbraw/zinc/38/82/64/1421388264.db2.gz NFEXJFGPUGUMEI-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001733296146 1429478414 /nfs/dbraw/zinc/47/84/14/1429478414.db2.gz DIMTZHHDSFYQPA-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001717525037 1421460688 /nfs/dbraw/zinc/46/06/88/1421460688.db2.gz BAKXCOVTUMZGSI-UHFFFAOYSA-N 2 0 337.552 3.458 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2CC2=CCCCC2)C1 ZINC001717541222 1421481965 /nfs/dbraw/zinc/48/19/65/1421481965.db2.gz WDKPZUDQCUSXFO-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)(C)C ZINC001717543113 1421484003 /nfs/dbraw/zinc/48/40/03/1421484003.db2.gz RJKPGPKJMRJYND-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@H+](CCC(=O)N[C@@H]1C[NH+](CCC2CC2)CC1(C)C)C1CCCCC1 ZINC001717583867 1421510162 /nfs/dbraw/zinc/51/01/62/1421510162.db2.gz MIYZPXIFKHBQBN-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001717624472 1421533574 /nfs/dbraw/zinc/53/35/74/1421533574.db2.gz RPXVUWUOJZPQMB-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001717652938 1421552198 /nfs/dbraw/zinc/55/21/98/1421552198.db2.gz WXFBFBLVPJNQMN-UFYCRDLUSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CCC[NH2+]CCC1=CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001717682695 1421564524 /nfs/dbraw/zinc/56/45/24/1421564524.db2.gz IEHRDAXWWSXVJU-QGZVFWFLSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001717721693 1421590090 /nfs/dbraw/zinc/59/00/90/1421590090.db2.gz KQDUUMPWUCFPMI-MSOLQXFVSA-N 2 0 325.541 3.026 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001717827874 1421641844 /nfs/dbraw/zinc/64/18/44/1421641844.db2.gz LAEYJWMVCAVHKP-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001717837374 1421650813 /nfs/dbraw/zinc/65/08/13/1421650813.db2.gz NEJOJQXADDPYKS-CTNGQTDRSA-N 2 0 347.547 3.164 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCC1)CC2 ZINC001717838581 1421652211 /nfs/dbraw/zinc/65/22/11/1421652211.db2.gz VASBCSPLQPIDLM-DYXWJJEUSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001717861477 1421674621 /nfs/dbraw/zinc/67/46/21/1421674621.db2.gz XCUOIZUMXYWFLH-QFBILLFUSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001717903213 1421699290 /nfs/dbraw/zinc/69/92/90/1421699290.db2.gz OADZDEODBWULCR-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001717962663 1421733939 /nfs/dbraw/zinc/73/39/39/1421733939.db2.gz KFQCNRJHMDHKCZ-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001717985765 1421758718 /nfs/dbraw/zinc/75/87/18/1421758718.db2.gz UJCGWUGHILWJBW-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001717998315 1421765684 /nfs/dbraw/zinc/76/56/84/1421765684.db2.gz CGBZDTHEZRIYRB-UHFFFAOYSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001733336186 1429521144 /nfs/dbraw/zinc/52/11/44/1429521144.db2.gz RKNQRXPNKXQNCY-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001733411015 1429611300 /nfs/dbraw/zinc/61/13/00/1429611300.db2.gz HFODRHNOZYPJOT-HXUWFJFHSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733426332 1429634094 /nfs/dbraw/zinc/63/40/94/1429634094.db2.gz DULOOGAGNJQPIQ-CTNGQTDRSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](CC=C(C)C)CC2)C1 ZINC001733452436 1429665084 /nfs/dbraw/zinc/66/50/84/1429665084.db2.gz ZPUGCAJQUMBOAF-LJQANCHMSA-N 2 0 349.563 3.293 10 0 EGAERP CCc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001723021768 1424288941 /nfs/dbraw/zinc/28/89/41/1424288941.db2.gz DUIIRBJACGPPIG-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001723356600 1424370024 /nfs/dbraw/zinc/37/00/24/1424370024.db2.gz RTVLDRPCUOOOOH-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1CC ZINC001723369838 1424374071 /nfs/dbraw/zinc/37/40/71/1424374071.db2.gz FJHQJQJJWANJBI-LOYZYROESA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723608330 1424488819 /nfs/dbraw/zinc/48/88/19/1424488819.db2.gz QFFUIDNSUVCQCM-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001723608856 1424489736 /nfs/dbraw/zinc/48/97/36/1424489736.db2.gz SCPRFKWNIFHVQL-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)c1cccc(F)c1 ZINC001723967052 1424614283 /nfs/dbraw/zinc/61/42/83/1424614283.db2.gz KWNFULWWYPEWHX-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+](CC)CC ZINC001723968656 1424614390 /nfs/dbraw/zinc/61/43/90/1424614390.db2.gz CLRROUMTQXRXLU-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733539713 1429745722 /nfs/dbraw/zinc/74/57/22/1429745722.db2.gz ZCULXEKFTJWEPK-YSKLNCTFSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001733536443 1429742667 /nfs/dbraw/zinc/74/26/67/1429742667.db2.gz TUSGKQCNEPNOKL-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724239877 1424750199 /nfs/dbraw/zinc/75/01/99/1424750199.db2.gz OCDOMTZPEXHQIF-YNKJECPDSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724301826 1424785495 /nfs/dbraw/zinc/78/54/95/1424785495.db2.gz GILDYOXDEKNRAY-OALUTQOASA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001724335450 1424831113 /nfs/dbraw/zinc/83/11/13/1424831113.db2.gz ZVMIIUPJRQGVMJ-NQIIRXRSSA-N 2 0 345.531 3.226 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC001724342196 1424837900 /nfs/dbraw/zinc/83/79/00/1424837900.db2.gz FIMTTZHZUSPSGL-FQEVSTJZSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC001724342911 1424839990 /nfs/dbraw/zinc/83/99/90/1424839990.db2.gz FMNVBMPTPPXPES-AZUAARDMSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)[C@@H]2C1 ZINC001724657751 1425026679 /nfs/dbraw/zinc/02/66/79/1425026679.db2.gz HFOLBMGNFWQBDF-LWYYNNOASA-N 2 0 349.563 3.076 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001724849354 1425209164 /nfs/dbraw/zinc/20/91/64/1425209164.db2.gz SEMYDBFIXATAOQ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001724852481 1425217664 /nfs/dbraw/zinc/21/76/64/1425217664.db2.gz SNXXFMFBHZIYDQ-IEBWSBKVSA-N 2 0 349.563 3.077 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)C(=O)CC[NH+](C)C ZINC001724854986 1425223862 /nfs/dbraw/zinc/22/38/62/1425223862.db2.gz GIMBYXVWIFVTCV-UHFFFAOYSA-N 2 0 347.547 3.216 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001724897426 1425290408 /nfs/dbraw/zinc/29/04/08/1425290408.db2.gz IOJUGFOZUOGDJF-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001724902831 1425297258 /nfs/dbraw/zinc/29/72/58/1425297258.db2.gz ZEDLREVBVQAAAR-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001724997460 1425404927 /nfs/dbraw/zinc/40/49/27/1425404927.db2.gz SMMHAPHIMNJXCF-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001725054907 1425488614 /nfs/dbraw/zinc/48/86/14/1425488614.db2.gz BHHRUDIPOXLFIR-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001725131610 1425601072 /nfs/dbraw/zinc/60/10/72/1425601072.db2.gz VDISQUSUENAHQK-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001725138013 1425614295 /nfs/dbraw/zinc/61/42/95/1425614295.db2.gz LLPJFGCDIUELBZ-LMDPOFIKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001725138356 1425615138 /nfs/dbraw/zinc/61/51/38/1425615138.db2.gz NEZRKWKCOZYXTO-WWDZGPRUSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001725144981 1425625978 /nfs/dbraw/zinc/62/59/78/1425625978.db2.gz CCVVIUDUDXATOD-GOSISDBHSA-N 2 0 347.547 3.390 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001725173807 1425686486 /nfs/dbraw/zinc/68/64/86/1425686486.db2.gz DFFYCBVNUKJAST-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725174305 1425687377 /nfs/dbraw/zinc/68/73/77/1425687377.db2.gz QCLGFLGUJZIACZ-LFAOLKIESA-N 2 0 328.460 3.049 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001725193980 1425744757 /nfs/dbraw/zinc/74/47/57/1425744757.db2.gz IJWYIRHDENYNEM-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCC(C)(C)C)CC1(C)C ZINC001725292831 1425939630 /nfs/dbraw/zinc/93/96/30/1425939630.db2.gz NSLMLYQVOWLLHN-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725293187 1425939870 /nfs/dbraw/zinc/93/98/70/1425939870.db2.gz XTRWZHFBFKJRQM-LKGOPFMKSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001725366230 1426016955 /nfs/dbraw/zinc/01/69/55/1426016955.db2.gz YMOZHAJYGJBUCX-QWFCFKBJSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001725444505 1426106676 /nfs/dbraw/zinc/10/66/76/1426106676.db2.gz JLKWJTLLOUUVCU-ATZDWAIDSA-N 2 0 349.494 3.101 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001725457253 1426123020 /nfs/dbraw/zinc/12/30/20/1426123020.db2.gz SBXAYCIKFOGLET-PMACEKPBSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H](CN(C)C(=O)CCCC[NH+](C)C)[NH2+][C@H]1CCCc2ccccc21 ZINC001725512053 1426200318 /nfs/dbraw/zinc/20/03/18/1426200318.db2.gz ASOUUUPFARNPNG-XLIONFOSSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001725519114 1426209998 /nfs/dbraw/zinc/20/99/98/1426209998.db2.gz AAKQGCSGALLYSK-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001725682972 1426370569 /nfs/dbraw/zinc/37/05/69/1426370569.db2.gz NVWHHJLIYBFKKC-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001725772377 1426456262 /nfs/dbraw/zinc/45/62/62/1426456262.db2.gz VTZNQFLDSGHKSW-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725772416 1426456426 /nfs/dbraw/zinc/45/64/26/1426456426.db2.gz XNHXVEMMWCXQEH-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001725784737 1426469853 /nfs/dbraw/zinc/46/98/53/1426469853.db2.gz CXINFMNECJYABR-SOAGJPPSSA-N 2 0 345.531 3.229 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725798806 1426483333 /nfs/dbraw/zinc/48/33/33/1426483333.db2.gz ZEGNPYWZXNFFQC-IRXDYDNUSA-N 2 0 347.547 3.020 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001731239501 1427196781 /nfs/dbraw/zinc/19/67/81/1427196781.db2.gz ANIJDRQZUANJDP-ICSRJNTNSA-N 2 0 345.531 3.367 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001731284765 1427227562 /nfs/dbraw/zinc/22/75/62/1427227562.db2.gz NJMIPCUWSCFUHX-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCCC(C)(C)C ZINC001731283960 1427227658 /nfs/dbraw/zinc/22/76/58/1427227658.db2.gz DQPDHCIFPBZQMB-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001731336922 1427274537 /nfs/dbraw/zinc/27/45/37/1427274537.db2.gz OFVUDXQCICUMFS-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731351837 1427290550 /nfs/dbraw/zinc/29/05/50/1427290550.db2.gz FUNNYRPLMWOHRU-UHFFFAOYSA-N 2 0 339.568 3.467 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731425112 1427405614 /nfs/dbraw/zinc/40/56/14/1427405614.db2.gz MLFUVYDSEOHFJJ-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731425108 1427405897 /nfs/dbraw/zinc/40/58/97/1427405897.db2.gz MLFUVYDSEOHFJJ-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731520332 1427507869 /nfs/dbraw/zinc/50/78/69/1427507869.db2.gz XLJKHLXOEWKFCH-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001731550328 1427569319 /nfs/dbraw/zinc/56/93/19/1427569319.db2.gz GJKROORYLZXDAN-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001731561959 1427598810 /nfs/dbraw/zinc/59/88/10/1427598810.db2.gz RHBUWHJXFQZIBI-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001731571217 1427612167 /nfs/dbraw/zinc/61/21/67/1427612167.db2.gz AIVGMFNQBYYGHT-IVMQYODDSA-N 2 0 337.552 3.170 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCCCCF)CC1 ZINC001731573975 1427617094 /nfs/dbraw/zinc/61/70/94/1427617094.db2.gz WORCOLWRUQCWHU-ABHNRTSZSA-N 2 0 341.515 3.018 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001731679640 1427727870 /nfs/dbraw/zinc/72/78/70/1427727870.db2.gz MTAWPLXJYFSHKD-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001731716895 1427780993 /nfs/dbraw/zinc/78/09/93/1427780993.db2.gz XGDDDEJHBRSHRD-MOPGFXCFSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001731720056 1427788793 /nfs/dbraw/zinc/78/87/93/1427788793.db2.gz NXHSOKJHQIPNNF-IBGZPJMESA-N 2 0 335.536 3.140 10 0 EGAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731720601 1427789690 /nfs/dbraw/zinc/78/96/90/1427789690.db2.gz NOZBAMZDNZECOP-VQTJNVASSA-N 2 0 345.531 3.402 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001731732676 1427810211 /nfs/dbraw/zinc/81/02/11/1427810211.db2.gz JBMHGDYEBHSXNN-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001731732974 1427811428 /nfs/dbraw/zinc/81/14/28/1427811428.db2.gz DYAINIYOLHUDAE-SJORKVTESA-N 2 0 341.499 3.337 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001731750628 1427844854 /nfs/dbraw/zinc/84/48/54/1427844854.db2.gz KVVHLCAYXXXDOA-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1c(C)cccc1C ZINC001731815195 1428008437 /nfs/dbraw/zinc/00/84/37/1428008437.db2.gz ABESRDBVHNHMCC-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1ccc(C(C)C)cc1 ZINC001731832321 1428043565 /nfs/dbraw/zinc/04/35/65/1428043565.db2.gz HYEDEGPIKLPMOR-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)=CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001731877345 1428142659 /nfs/dbraw/zinc/14/26/59/1428142659.db2.gz RVKRFADZCPMMSP-SFHVURJKSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)(C(=O)NCC[N@H+](CCC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001731878895 1428147371 /nfs/dbraw/zinc/14/73/71/1428147371.db2.gz CGMUNJVAYVFWIA-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733667565 1429861716 /nfs/dbraw/zinc/86/17/16/1429861716.db2.gz WPMYDCQAZDYQQI-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733772496 1430008165 /nfs/dbraw/zinc/00/81/65/1430008165.db2.gz DSLLZMFBNLFPFD-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733808978 1430084137 /nfs/dbraw/zinc/08/41/37/1430084137.db2.gz CRWLVKRENGFCTA-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001733809376 1430085046 /nfs/dbraw/zinc/08/50/46/1430085046.db2.gz KIANZXHRQXYWQX-ROUUACIJSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001733899280 1437717340 /nfs/dbraw/zinc/71/73/40/1437717340.db2.gz GJMKLTZYPDVVDW-UYAOXDASSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001733901060 1437719095 /nfs/dbraw/zinc/71/90/95/1437719095.db2.gz MQSTYCNHDJGEPQ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001733931104 1437744089 /nfs/dbraw/zinc/74/40/89/1437744089.db2.gz VRGVNYOKACDKFA-WOJBJXKFSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCC1CCCC1 ZINC001733931103 1437744095 /nfs/dbraw/zinc/74/40/95/1437744095.db2.gz VRGVNYOKACDKFA-VQTJNVASSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001733942778 1437759107 /nfs/dbraw/zinc/75/91/07/1437759107.db2.gz ZLBPLXUYYHRALF-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733975050 1437774867 /nfs/dbraw/zinc/77/48/67/1437774867.db2.gz XQTZJTDYTQQSOI-SJORKVTESA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001734011942 1437803494 /nfs/dbraw/zinc/80/34/94/1437803494.db2.gz ABSJIDDMZRRANG-UHFFFAOYSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001734025386 1437813585 /nfs/dbraw/zinc/81/35/85/1437813585.db2.gz OKAPGJHEXGFSPU-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC1CCC(C)CC1 ZINC001734044649 1437832924 /nfs/dbraw/zinc/83/29/24/1437832924.db2.gz PNTMVHRFSDRRCC-LXPRWKDFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080735 1437867839 /nfs/dbraw/zinc/86/78/39/1437867839.db2.gz MWAQCUIPXIIZEZ-ICSRJNTNSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734117131 1437899272 /nfs/dbraw/zinc/89/92/72/1437899272.db2.gz MPRQSJXTMAWGFY-WUPMPMNESA-N 2 0 347.547 3.186 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001734146189 1437914333 /nfs/dbraw/zinc/91/43/33/1437914333.db2.gz OUQYZRKYBHXZSF-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]Cc2ccccc2)CC1 ZINC001734256159 1437971650 /nfs/dbraw/zinc/97/16/50/1437971650.db2.gz CZLRYIBZYBPPOS-GOSISDBHSA-N 2 0 345.531 3.182 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001734308203 1438039957 /nfs/dbraw/zinc/03/99/57/1438039957.db2.gz HJCFQKUWBWRJEW-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001734332184 1438055433 /nfs/dbraw/zinc/05/54/33/1438055433.db2.gz RVBHFOMTOQIXKL-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H]1C ZINC001734403463 1438083762 /nfs/dbraw/zinc/08/37/62/1438083762.db2.gz GVOVGYBMXUDKJT-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001734550551 1438147707 /nfs/dbraw/zinc/14/77/07/1438147707.db2.gz IETONHXWNFRZKG-MOPGFXCFSA-N 2 0 345.531 3.258 10 0 EGAERP CC[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001734577667 1438170579 /nfs/dbraw/zinc/17/05/79/1438170579.db2.gz KSKRCWITFOWNQG-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001734588112 1438178119 /nfs/dbraw/zinc/17/81/19/1438178119.db2.gz UYYYQAXBVITYKX-KRWDZBQOSA-N 2 0 339.568 3.370 10 0 EGAERP CCC(CC)C[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001734607092 1438186437 /nfs/dbraw/zinc/18/64/37/1438186437.db2.gz HWHZIAHHOVCHDC-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001734625492 1438191126 /nfs/dbraw/zinc/19/11/26/1438191126.db2.gz ISOZDEMBUAPUHF-AATRIKPKSA-N 2 0 347.547 3.356 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001734632658 1438194054 /nfs/dbraw/zinc/19/40/54/1438194054.db2.gz OCYNESZSHFRYFB-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP COc1ccc2ccccc2c1C[NH2+]CC1CC[NH+](C[C@H](C)O)CC1 ZINC000069329802 215379480 /nfs/dbraw/zinc/37/94/80/215379480.db2.gz YZEJDTJSBDJSQK-INIZCTEOSA-N 2 0 342.483 3.031 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000367519351 283135042 /nfs/dbraw/zinc/13/50/42/283135042.db2.gz NVQDLRJTLVEQHX-AABGKKOBSA-N 2 0 346.490 3.336 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000185323709 235639407 /nfs/dbraw/zinc/63/94/07/235639407.db2.gz UUEPMISBNXTYFY-QGZVFWFLSA-N 2 0 325.456 3.010 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353621486 296313600 /nfs/dbraw/zinc/31/36/00/296313600.db2.gz WEWSZQJOLHNCSK-AQNXPRMDSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191338048 533665213 /nfs/dbraw/zinc/66/52/13/533665213.db2.gz WBHPLKCDFGEMLC-QGZVFWFLSA-N 2 0 346.515 3.000 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000341259884 141145939 /nfs/dbraw/zinc/14/59/39/141145939.db2.gz LRDPOZKDYYLJTL-HZPDHXFCSA-N 2 0 332.492 3.133 10 0 EGAERP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000353461593 141301936 /nfs/dbraw/zinc/30/19/36/141301936.db2.gz MLHSYYADBNYZKM-KSZLIROESA-N 2 0 332.488 3.446 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3ccccc3)o2)CC1 ZINC000121079074 152323818 /nfs/dbraw/zinc/32/38/18/152323818.db2.gz SPZUYDYXWUDHKH-QGZVFWFLSA-N 2 0 342.483 3.471 10 0 EGAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc1 ZINC000261600707 153682756 /nfs/dbraw/zinc/68/27/56/153682756.db2.gz BEEDBNMDBYTOKI-ZCNNSNEGSA-N 2 0 343.515 3.065 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346828703 156154227 /nfs/dbraw/zinc/15/42/27/156154227.db2.gz JUZNJBPMPCMYKH-GOSISDBHSA-N 2 0 328.435 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCc3ccc(C(C)(C)C)cc3)CC2)C1 ZINC000365670169 157213990 /nfs/dbraw/zinc/21/39/90/157213990.db2.gz WDFIIHNJCHUTOA-OAQYLSRUSA-N 2 0 343.559 3.238 10 0 EGAERP c1cn(CCC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248406290 163001290 /nfs/dbraw/zinc/00/12/90/163001290.db2.gz SFPINVGBBLVFFH-ACRUOGEOSA-N 2 0 338.499 3.164 10 0 EGAERP C[N@@H+]1CCC[C@H]2CN(Cc3nnc(-c4ccccc4)s3)CC[C@H]21 ZINC000248636167 163023913 /nfs/dbraw/zinc/02/39/13/163023913.db2.gz UUBPNCJGFUMZAP-JKSUJKDBSA-N 2 0 328.485 3.121 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1cccc2[nH]ccc21 ZINC000337275482 163191614 /nfs/dbraw/zinc/19/16/14/163191614.db2.gz GAXLIERPDXEDJE-UHFFFAOYSA-N 2 0 331.423 3.389 10 0 EGAERP Cc1nn(C(C)(C)C)c(C)c1CN1CCN(c2cnccc2C)CC1 ZINC000343642520 164001189 /nfs/dbraw/zinc/00/11/89/164001189.db2.gz SVTDYUULUAUXDE-UHFFFAOYSA-N 2 0 341.503 3.281 10 0 EGAERP c1cn(-c2csc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)cn1 ZINC000346169703 164355822 /nfs/dbraw/zinc/35/58/22/164355822.db2.gz MTNVJVRQOAVKSI-KXBFYZLASA-N 2 0 342.512 3.383 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccc(OC)cc2)CC1 ZINC000350901317 165080093 /nfs/dbraw/zinc/08/00/93/165080093.db2.gz ZNPGTDPISUTESI-UHFFFAOYSA-N 2 0 347.503 3.078 10 0 EGAERP COc1c[nH+]ccc1N1CCN(Cc2ccc(SC)cc2)CC1 ZINC000355648554 166271122 /nfs/dbraw/zinc/27/11/22/166271122.db2.gz JKZYJCVSNZPXFQ-UHFFFAOYSA-N 2 0 329.469 3.134 10 0 EGAERP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000355939409 166353769 /nfs/dbraw/zinc/35/37/69/166353769.db2.gz XYYABZWDCLHAQS-KSZLIROESA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000193007695 266002833 /nfs/dbraw/zinc/00/28/33/266002833.db2.gz AGSLWHWEOBLBCY-CQSZACIVSA-N 2 0 329.941 3.468 10 0 EGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+]C1c2ccccc2CCc2ccccc21 ZINC000180497911 274219059 /nfs/dbraw/zinc/21/90/59/274219059.db2.gz ZBOFMFROPZYFTL-SFHVURJKSA-N 2 0 349.522 3.100 10 0 EGAERP C[NH+](C)C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000278707948 275267231 /nfs/dbraw/zinc/26/72/31/275267231.db2.gz LJZFUGSILMDXAL-OWZKRDHZSA-N 2 0 327.516 3.256 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)ccc1F ZINC000287789058 276157214 /nfs/dbraw/zinc/15/72/14/276157214.db2.gz SRQDPGTWUCYIKO-UKRRQHHQSA-N 2 0 334.357 3.087 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414168768 309064483 /nfs/dbraw/zinc/06/44/83/309064483.db2.gz ALRNNKINRNAPNV-GIVPXCGWSA-N 3 0 329.532 3.219 10 0 EGAERP Fc1ccc(-n2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)cc1 ZINC000152693080 307757910 /nfs/dbraw/zinc/75/79/10/307757910.db2.gz UXYULOPLBQTIOG-UHFFFAOYSA-N 2 0 342.462 3.319 10 0 EGAERP CCc1noc(C)c1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293793246 308162388 /nfs/dbraw/zinc/16/23/88/308162388.db2.gz ULIHUNCMGUXJCJ-CQSZACIVSA-N 2 0 331.460 3.337 10 0 EGAERP C[C@@H]1CCN(Cc2cnc(Br)s2)C[C@H]1n1ccnc1 ZINC000294904795 308269956 /nfs/dbraw/zinc/26/99/56/308269956.db2.gz HPZZOWGLILNEHA-ZYHUDNBSSA-N 2 0 341.278 3.185 10 0 EGAERP Cc1cccnc1CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000295857960 308367899 /nfs/dbraw/zinc/36/78/99/308367899.db2.gz BIFWUTLVOHBDRK-KRWDZBQOSA-N 2 0 327.472 3.224 10 0 EGAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]1 ZINC000414715128 309096904 /nfs/dbraw/zinc/09/69/04/309096904.db2.gz YEIAAXWJFKZKSR-JKIFEVAISA-N 2 0 342.405 3.467 10 0 EGAERP CCCOc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)ccc1OC ZINC000297450763 308535127 /nfs/dbraw/zinc/53/51/27/308535127.db2.gz HDDVSBDMPHZHKJ-UHFFFAOYSA-N 2 0 325.412 3.422 10 0 EGAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414810272 309102962 /nfs/dbraw/zinc/10/29/62/309102962.db2.gz HRIFSFGECWZPKX-LSDHHAIUSA-N 2 0 341.455 3.222 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000414810831 309103094 /nfs/dbraw/zinc/10/30/94/309103094.db2.gz OPHGQYMNVDWEOZ-UONOGXRCSA-N 2 0 329.419 3.352 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414840341 309104804 /nfs/dbraw/zinc/10/48/04/309104804.db2.gz NCEAQJQGZSNUFX-LSDHHAIUSA-N 2 0 337.895 3.345 10 0 EGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000414884161 309107138 /nfs/dbraw/zinc/10/71/38/309107138.db2.gz USRXQGHQDLWODW-NQIIRXRSSA-N 2 0 344.547 3.194 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414918813 309109289 /nfs/dbraw/zinc/10/92/89/309109289.db2.gz VHIANHKGELNMMV-WBMJQRKESA-N 2 0 343.284 3.499 10 0 EGAERP Cc1oc2ccccc2c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415046996 309116381 /nfs/dbraw/zinc/11/63/81/309116381.db2.gz DGLOKXMISASZMI-UHFFFAOYSA-N 2 0 327.472 3.047 10 0 EGAERP Fc1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415051254 309116585 /nfs/dbraw/zinc/11/65/85/309116585.db2.gz JHFZHVUQUQBFGK-TZWRJOPASA-N 2 0 345.506 3.268 10 0 EGAERP c1sc2ccccc2c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056319 309117161 /nfs/dbraw/zinc/11/71/61/309117161.db2.gz PXJVCSFURPTYIH-UHFFFAOYSA-N 2 0 329.513 3.207 10 0 EGAERP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OCC ZINC000415057355 309117217 /nfs/dbraw/zinc/11/72/17/309117217.db2.gz TZUNXFDYMHHQMA-ZWKOTPCHSA-N 2 0 332.488 3.448 10 0 EGAERP COc1ccc([C@H](CNC[C@H]([NH3+])CC(C)C)[NH+]2CCCCC2)cc1 ZINC000415085389 309119367 /nfs/dbraw/zinc/11/93/67/309119367.db2.gz QCGYZQSDIJTLMT-QUCCMNQESA-N 2 0 333.520 3.185 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415129444 309122484 /nfs/dbraw/zinc/12/24/84/309122484.db2.gz UXVBGAYGAHWCSV-MOPGFXCFSA-N 2 0 332.488 3.030 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)N2CCC(C[NH+](CC)CC)CC2)c1 ZINC000415935416 309149767 /nfs/dbraw/zinc/14/97/67/309149767.db2.gz RQLCWPSLNSCZPZ-UHFFFAOYSA-N 2 0 346.519 3.382 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000415946996 309150537 /nfs/dbraw/zinc/15/05/37/309150537.db2.gz VFONQADGHZSURA-QGZVFWFLSA-N 2 0 346.519 3.430 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000415947605 309150682 /nfs/dbraw/zinc/15/06/82/309150682.db2.gz WTDRAZJVFNTMNH-HOTGVXAUSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[NH2+]C1CCCCC1 ZINC000415953301 309151064 /nfs/dbraw/zinc/15/10/64/309151064.db2.gz KZWACIHZKUPPJA-UHFFFAOYSA-N 2 0 332.492 3.230 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@H](c1ccccc1)[NH+](C)C ZINC000416147778 309160901 /nfs/dbraw/zinc/16/09/01/309160901.db2.gz BUKSPJMGMCLSAB-ZIFCJYIRSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000416846718 309183563 /nfs/dbraw/zinc/18/35/63/309183563.db2.gz IHORXYBZKHWXGT-MRXNPFEDSA-N 2 0 346.519 3.160 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000417240924 309198741 /nfs/dbraw/zinc/19/87/41/309198741.db2.gz QNXHMLPOWWJSEO-HOTGVXAUSA-N 2 0 346.519 3.016 10 0 EGAERP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422701613 309363740 /nfs/dbraw/zinc/36/37/40/309363740.db2.gz DLKAMCVRXHBVMP-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422776875 309367778 /nfs/dbraw/zinc/36/77/78/309367778.db2.gz FBVLOZMJCBMUDO-BQJUDKOJSA-N 2 0 329.532 3.498 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422795570 309368914 /nfs/dbraw/zinc/36/89/14/309368914.db2.gz HPKHFRPEYNXFBE-KRWDZBQOSA-N 2 0 332.419 3.462 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)CC[NH2+]CC1 ZINC000422872536 309373032 /nfs/dbraw/zinc/37/30/32/309373032.db2.gz HMNKDUWVZBFDIH-CABCVRRESA-N 2 0 336.451 3.106 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896984 309374850 /nfs/dbraw/zinc/37/48/50/309374850.db2.gz BCBXZFCEPDCKNU-IPMKNSEASA-N 2 0 345.531 3.422 10 0 EGAERP C[C@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422903211 309375410 /nfs/dbraw/zinc/37/54/10/309375410.db2.gz VTCPAECXLIPWJS-KBXCAEBGSA-N 2 0 329.419 3.491 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422962321 309378562 /nfs/dbraw/zinc/37/85/62/309378562.db2.gz FHSAZQUUQUWCJZ-KXBFYZLASA-N 2 0 342.487 3.320 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](c1ccco1)N1CCCCC1 ZINC000422962318 309378607 /nfs/dbraw/zinc/37/86/07/309378607.db2.gz FHSAZQUUQUWCJZ-BEFAXECRSA-N 2 0 342.487 3.320 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422969690 309378920 /nfs/dbraw/zinc/37/89/20/309378920.db2.gz DFYMUXKYCZFMDR-KRWDZBQOSA-N 2 0 338.499 3.251 10 0 EGAERP COc1ccc([C@H](NCC[C@@H](C)[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423036325 309382226 /nfs/dbraw/zinc/38/22/26/309382226.db2.gz TYHQPGNWUUSJFH-QMMLZNLJSA-N 2 0 345.531 3.342 10 0 EGAERP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000423051791 309383168 /nfs/dbraw/zinc/38/31/68/309383168.db2.gz PBZWXOFHLTVGOX-CEXWTWQISA-N 2 0 328.456 3.030 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000423214551 309390718 /nfs/dbraw/zinc/39/07/18/309390718.db2.gz PCLDOKJXZZFPII-HZMBPMFUSA-N 2 0 327.241 3.165 10 0 EGAERP Brc1cccc2c1C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423491305 309402618 /nfs/dbraw/zinc/40/26/18/309402618.db2.gz YYNFJBVGVYUBMQ-CABCVRRESA-N 2 0 337.305 3.428 10 0 EGAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423507993 309403699 /nfs/dbraw/zinc/40/36/99/309403699.db2.gz NGWHXQCIFINBFP-GPCCPHFNSA-N 2 0 327.241 3.293 10 0 EGAERP CS[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000425349726 309475059 /nfs/dbraw/zinc/47/50/59/309475059.db2.gz LCZWJNXWPDOGTE-RTBURBONSA-N 2 0 333.545 3.072 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449085780 310035902 /nfs/dbraw/zinc/03/59/02/310035902.db2.gz ACZVICITUQBHAP-CYBMUJFWSA-N 2 0 348.288 3.429 10 0 EGAERP CCC[N@@H+]1CC[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449090289 310036460 /nfs/dbraw/zinc/03/64/60/310036460.db2.gz GIWLLJNDLLWEPA-PZJWPPBQSA-N 2 0 343.559 3.404 10 0 EGAERP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449136815 310039549 /nfs/dbraw/zinc/03/95/49/310039549.db2.gz CIYUQLOHRJGEQD-UEXGIBASSA-N 2 0 332.532 3.469 10 0 EGAERP COCC[C@H](COC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449333267 310054325 /nfs/dbraw/zinc/05/43/25/310054325.db2.gz GDPHLPUQVYPMDI-QGZVFWFLSA-N 2 0 328.541 3.307 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449512728 310068398 /nfs/dbraw/zinc/06/83/98/310068398.db2.gz QBHZESOBCSBYOI-MDNKFWRPSA-N 2 0 344.499 3.218 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)[C@@H](C)C1 ZINC000453325047 310270988 /nfs/dbraw/zinc/27/09/88/310270988.db2.gz WKSTVZOWOHHXNU-ZGXWSNOMSA-N 2 0 340.552 3.164 10 0 EGAERP [NH3+]CCCN(c1ccccc1F)C1CCN(c2cc[nH+]cc2)CC1 ZINC000459481939 310555565 /nfs/dbraw/zinc/55/55/65/310555565.db2.gz NHVMSCVEHBINEJ-UHFFFAOYSA-N 2 0 328.435 3.045 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cn2ccccc2n1 ZINC000551269817 315147081 /nfs/dbraw/zinc/14/70/81/315147081.db2.gz FNIGNNQEUCDAGZ-MRXNPFEDSA-N 2 0 338.455 3.126 10 0 EGAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552062013 315194392 /nfs/dbraw/zinc/19/43/92/315194392.db2.gz IKLNNUFAJGMWNZ-PMACEKPBSA-N 2 0 343.515 3.036 10 0 EGAERP COc1cncc(/C=C/CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000564207895 316123689 /nfs/dbraw/zinc/12/36/89/316123689.db2.gz JHDGVSMSMLZLMB-QHHAFSJGSA-N 2 0 329.488 3.301 10 0 EGAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941777 317131100 /nfs/dbraw/zinc/13/11/00/317131100.db2.gz KXLIHGOVCYNEAW-VQTJNVASSA-N 2 0 336.483 3.004 10 0 EGAERP C[NH+]1CCN(c2ncccc2C[NH2+]CCCC2CCCCC2)CC1 ZINC000572526128 317351801 /nfs/dbraw/zinc/35/18/01/317351801.db2.gz VNRQYLPPZDLEDC-UHFFFAOYSA-N 2 0 330.520 3.284 10 0 EGAERP C[C@@H](CCc1ccco1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397519243 324295308 /nfs/dbraw/zinc/29/53/08/324295308.db2.gz USFHKYLENLCDHR-SFHVURJKSA-N 2 0 342.483 3.217 10 0 EGAERP C[C@@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1ccnc1 ZINC000580081711 325201289 /nfs/dbraw/zinc/20/12/89/325201289.db2.gz XYYSJHWHXSIAAK-PKOBYXMFSA-N 2 0 340.471 3.005 10 0 EGAERP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000580588974 325271497 /nfs/dbraw/zinc/27/14/97/325271497.db2.gz ZFUOEPFIVICZSD-GFOJFJKKSA-N 2 0 329.532 3.359 10 0 EGAERP Cc1ccc(-c2ncc(CN(CC[NH+](C)C)CC[NH+](C)C)s2)cc1 ZINC000580918652 325309100 /nfs/dbraw/zinc/30/91/00/325309100.db2.gz CBDRDYCFPMDBNF-UHFFFAOYSA-N 2 0 346.544 3.044 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@H]2CCC[C@H]21 ZINC000580956739 325314199 /nfs/dbraw/zinc/31/41/99/325314199.db2.gz CCYPOBQPRXKGDN-ZAWLATJESA-N 2 0 331.479 3.257 10 0 EGAERP Cc1ccc(OC[C@H](O)C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000581424252 325360028 /nfs/dbraw/zinc/36/00/28/325360028.db2.gz GZNNSXFASDNZFY-HXUWFJFHSA-N 2 0 348.531 3.082 10 0 EGAERP C[n+]1cccc2cc(NC(=O)Nc3ccc4c(ccc[n+]4C)c3)ccc21 ZINC000000001114 452491230 /nfs/dbraw/zinc/49/12/30/452491230.db2.gz XNGCPUFXJFAGRG-UHFFFAOYSA-O 2 0 344.418 3.286 10 0 EGAERP C[C@H](CC(=O)OC(C)(C)C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000183680529 455320910 /nfs/dbraw/zinc/32/09/10/455320910.db2.gz RBLQVODHDWFVPA-MRXNPFEDSA-N 2 0 332.488 3.492 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623477037 460570406 /nfs/dbraw/zinc/57/04/06/460570406.db2.gz ZEHXTRZLRKLHIQ-RDJZCZTQSA-N 2 0 334.504 3.345 10 0 EGAERP CSc1cccc(NC(=O)CN2CC[C@@H](C)[C@H](n3ccnc3)C2)c1 ZINC000245578747 455334137 /nfs/dbraw/zinc/33/41/37/455334137.db2.gz IHCHCUSUTSJOQY-RHSMWYFYSA-N 2 0 344.484 3.127 10 0 EGAERP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887920 460588923 /nfs/dbraw/zinc/58/89/23/460588923.db2.gz RMXBAOZCOMOCOB-ZBFHGGJFSA-N 2 0 328.378 3.202 10 0 EGAERP C[N@@H+]1CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1(C)C ZINC000623510701 460588919 /nfs/dbraw/zinc/58/89/19/460588919.db2.gz HJYGGVMBROYOCK-QQFBHYJXSA-N 2 0 347.469 3.254 10 0 EGAERP O[C@@H]1CCC[C@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245694740 455357774 /nfs/dbraw/zinc/35/77/74/455357774.db2.gz KVOBSRGMDJXRRA-JRSUCEMESA-N 2 0 328.500 3.323 10 0 EGAERP C[C@H]([NH2+]CCOCCC[NH3+])c1cc2cc(Br)ccc2o1 ZINC000629537990 460799017 /nfs/dbraw/zinc/79/90/17/460799017.db2.gz LNNMDAZSKITWMY-NSHDSACASA-N 2 0 341.249 3.211 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969737 460599239 /nfs/dbraw/zinc/59/92/39/460599239.db2.gz XQIAYHLBANUFJO-LSDHHAIUSA-N 2 0 346.302 3.053 10 0 EGAERP C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076148999 453971299 /nfs/dbraw/zinc/97/12/99/453971299.db2.gz RFFPGVHNTJYSSO-QZTJIDSGSA-N 2 0 343.515 3.019 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000077283732 454085853 /nfs/dbraw/zinc/08/58/53/454085853.db2.gz ZSULEUWOJZZUDK-HXUWFJFHSA-N 2 0 349.950 3.375 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC(F)(F)F)CC1 ZINC000088737681 454117947 /nfs/dbraw/zinc/11/79/47/454117947.db2.gz LYZISEDNHRHTFD-UHFFFAOYSA-N 2 0 329.410 3.261 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000089840171 454214064 /nfs/dbraw/zinc/21/40/64/454214064.db2.gz SRAAIKBOONQQMR-OAQYLSRUSA-N 2 0 329.532 3.013 10 0 EGAERP CCC[C@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000162171826 454756558 /nfs/dbraw/zinc/75/65/58/454756558.db2.gz LAVVMBXEUYBFCH-VQIMIIECSA-N 2 0 331.504 3.059 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@@H]2CCC[NH+]2CC)cc1)C(C)C ZINC000176971166 454805935 /nfs/dbraw/zinc/80/59/35/454805935.db2.gz GKNBSUHUJMPXND-FQEVSTJZSA-N 2 0 345.531 3.473 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133196 454826695 /nfs/dbraw/zinc/82/66/95/454826695.db2.gz IUDFPGSLURNEHB-UWJYYQICSA-N 2 0 339.483 3.178 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133212 454826813 /nfs/dbraw/zinc/82/68/13/454826813.db2.gz IUDFPGSLURNEHB-UTKZUKDTSA-N 2 0 339.483 3.178 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCOc3ccc(C)cc32)CC1 ZINC000154495702 454902080 /nfs/dbraw/zinc/90/20/80/454902080.db2.gz DGXZQYVEHMHHPH-FQEVSTJZSA-N 2 0 345.531 3.216 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000165860237 454904662 /nfs/dbraw/zinc/90/46/62/454904662.db2.gz HRUFYEVLPBNRBK-LLGFUMIMSA-N 2 0 339.483 3.479 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000127770376 454995480 /nfs/dbraw/zinc/99/54/80/454995480.db2.gz RKPQEXKLFIDNGR-OLZOCXBDSA-N 2 0 330.303 3.280 10 0 EGAERP Cc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCCC[NH+]1CCOCC1)CC3 ZINC000180136269 455138020 /nfs/dbraw/zinc/13/80/20/455138020.db2.gz DDZNCOHIMLDXOP-QGZVFWFLSA-N 2 0 341.499 3.036 10 0 EGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c2ccccc2n1 ZINC000172418030 455152515 /nfs/dbraw/zinc/15/25/15/455152515.db2.gz LELQXBIHJFBZAM-KRWDZBQOSA-N 2 0 341.499 3.068 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000245441180 455300391 /nfs/dbraw/zinc/30/03/91/455300391.db2.gz VFJQAULGJMGZJF-WMLDXEAASA-N 2 0 344.455 3.382 10 0 EGAERP C[N@H+](C[C@H](O)C1CCCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000190613000 455353476 /nfs/dbraw/zinc/35/34/76/455353476.db2.gz FKXAEAJWXROPLE-FPOVZHCZSA-N 2 0 330.516 3.382 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc3nccn32)C1 ZINC000245844205 455384734 /nfs/dbraw/zinc/38/47/34/455384734.db2.gz KRJOWQNHRREDCS-MSOLQXFVSA-N 2 0 326.488 3.421 10 0 EGAERP Cc1cn2cc(NC(=O)N3CC[C@H]4CC[C@@H](C3)[N@@H+]4C(C)C)ccc2n1 ZINC000266739759 455445661 /nfs/dbraw/zinc/44/56/61/455445661.db2.gz KBGHBHAKCHNTAA-SJORKVTESA-N 2 0 341.459 3.122 10 0 EGAERP O=C(CCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1F ZINC000246489601 455499637 /nfs/dbraw/zinc/49/96/37/455499637.db2.gz GZZBRDLHVAHXQL-KXBFYZLASA-N 2 0 345.462 3.103 10 0 EGAERP c1coc(-c2cc(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)no2)c1 ZINC000247027070 455547001 /nfs/dbraw/zinc/54/70/01/455547001.db2.gz YDTRWJZGDUVOJV-YOEHRIQHSA-N 2 0 327.428 3.383 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C(F)(F)F)C(C)(C)C2)CC1 ZINC000192845869 455706062 /nfs/dbraw/zinc/70/60/62/455706062.db2.gz ZQTBWXKQDQWBKE-MRXNPFEDSA-N 2 0 349.485 3.313 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCOCC2 ZINC000186336166 455746657 /nfs/dbraw/zinc/74/66/57/455746657.db2.gz ZSEPHGBDKYDUCS-MOPGFXCFSA-N 2 0 338.536 3.206 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000252517884 455819064 /nfs/dbraw/zinc/81/90/64/455819064.db2.gz UFSQYAYYNFJFMZ-HHXCZETCSA-N 2 0 327.516 3.427 10 0 EGAERP COc1ccccc1/C=C\C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000255580877 455869936 /nfs/dbraw/zinc/86/99/36/455869936.db2.gz XFQFEFZWGDBFEL-VURMDHGXSA-N 2 0 344.499 3.285 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187221108 455883094 /nfs/dbraw/zinc/88/30/94/455883094.db2.gz PZUYTMSNTSELQP-HZPDHXFCSA-N 2 0 338.923 3.468 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCNc2ccccn2)C3)cc1 ZINC000272373306 455929712 /nfs/dbraw/zinc/92/97/12/455929712.db2.gz CFUKPDOYBJDWNM-OWZKRDHZSA-N 2 0 336.483 3.279 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272385843 455933695 /nfs/dbraw/zinc/93/36/95/455933695.db2.gz GAUWIUIIDBIQSR-GBKCLDHKSA-N 2 0 339.527 3.254 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)C1 ZINC000261892875 455966960 /nfs/dbraw/zinc/96/69/60/455966960.db2.gz GUCHJDCWLAFCLD-GCSSGZNBSA-N 2 0 334.426 3.102 10 0 EGAERP CC1(C)CCC[NH2+][C@@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000262119707 456000864 /nfs/dbraw/zinc/00/08/64/456000864.db2.gz BWXQOWFAUQZXHU-LJQANCHMSA-N 2 0 343.515 3.067 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000271254499 456194737 /nfs/dbraw/zinc/19/47/37/456194737.db2.gz GFCYRROOVVDISN-HJNYFJLDSA-N 2 0 339.527 3.210 10 0 EGAERP CCc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000301789317 456214976 /nfs/dbraw/zinc/21/49/76/456214976.db2.gz MMKUUSDGWBIFCJ-UHFFFAOYSA-N 2 0 339.483 3.488 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000352836774 456351227 /nfs/dbraw/zinc/35/12/27/456351227.db2.gz XNOJMAFLQGFCCQ-VQIMIIECSA-N 2 0 343.515 3.060 10 0 EGAERP Cc1nc(CC[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cs1 ZINC000282175272 456432705 /nfs/dbraw/zinc/43/27/05/456432705.db2.gz VIFINIRWRWPKAJ-OAHLLOKOSA-N 2 0 330.501 3.406 10 0 EGAERP Cc1nc(CC[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cs1 ZINC000282175269 456433598 /nfs/dbraw/zinc/43/35/98/456433598.db2.gz VIFINIRWRWPKAJ-HNNXBMFYSA-N 2 0 330.501 3.406 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000340465102 456475815 /nfs/dbraw/zinc/47/58/15/456475815.db2.gz QBOGMDLPYCRNDE-HXUWFJFHSA-N 2 0 341.503 3.223 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(C)(C)n1cncn1 ZINC000340473127 456480946 /nfs/dbraw/zinc/48/09/46/456480946.db2.gz LMGRUCUYQVNHFH-QGZVFWFLSA-N 2 0 341.503 3.177 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCC(OC(F)F)CC1 ZINC000648817740 462292608 /nfs/dbraw/zinc/29/26/08/462292608.db2.gz AUMYNVFSESYPGE-UHFFFAOYSA-N 2 0 336.386 3.216 10 0 EGAERP O[C@@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000310357261 456581912 /nfs/dbraw/zinc/58/19/12/456581912.db2.gz IQKSHPBBMLGWNY-LEWJYISDSA-N 2 0 330.516 3.429 10 0 EGAERP CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@H]1CC[NH+](C2CC2)C1 ZINC000353311375 456628342 /nfs/dbraw/zinc/62/83/42/456628342.db2.gz UVQCVJZMIOWXRO-FQEVSTJZSA-N 2 0 329.532 3.313 10 0 EGAERP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353401055 456676339 /nfs/dbraw/zinc/67/63/39/456676339.db2.gz HFUCRYSNPVNFFO-QLIIJSOBSA-N 2 0 343.515 3.177 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000353404316 456677993 /nfs/dbraw/zinc/67/79/93/456677993.db2.gz OHZQUHPSGICXBC-VNQPRFMTSA-N 2 0 336.863 3.074 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H]2CCC[C@H]21 ZINC000353498574 456716639 /nfs/dbraw/zinc/71/66/39/456716639.db2.gz RNRAIWDOHSSGJG-HLLBOEOZSA-N 2 0 333.545 3.417 10 0 EGAERP Cn1ccc([C@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccc(F)cc2)n1 ZINC000353644979 456825611 /nfs/dbraw/zinc/82/56/11/456825611.db2.gz OXJBNTPEMCBCIT-FAFZWHIHSA-N 2 0 330.451 3.111 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@@H](O)C(F)(F)F ZINC000349314261 456939038 /nfs/dbraw/zinc/93/90/38/456939038.db2.gz IHEHQTLBACKDAM-OAHLLOKOSA-N 2 0 332.410 3.048 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354460500 457238653 /nfs/dbraw/zinc/23/86/53/457238653.db2.gz LRSCQMQFVXPVLI-UHFFFAOYSA-N 2 0 330.451 3.223 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000355413779 457371419 /nfs/dbraw/zinc/37/14/19/457371419.db2.gz UVSYXSUMXMYYJM-NSHGMRRFSA-N 2 0 343.515 3.030 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000357222214 457382493 /nfs/dbraw/zinc/38/24/93/457382493.db2.gz PWNUVFBDWBZBAH-NUJGCVRESA-N 2 0 349.544 3.122 10 0 EGAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012969 457511763 /nfs/dbraw/zinc/51/17/63/457511763.db2.gz LMHWJAZNXXPLAD-UKRRQHHQSA-N 2 0 346.393 3.347 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCCC2)OC(C)(C)C1 ZINC000443774600 457811009 /nfs/dbraw/zinc/81/10/09/457811009.db2.gz AMOPEVLVKZVAHV-UHFFFAOYSA-N 2 0 340.471 3.499 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447722632 458333725 /nfs/dbraw/zinc/33/37/25/458333725.db2.gz JZXIXEMUOJRPBH-CJNGLKHVSA-N 2 0 333.476 3.177 10 0 EGAERP Cc1ccc(C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C(C)C)cc1 ZINC000423511595 458447644 /nfs/dbraw/zinc/44/76/44/458447644.db2.gz NRCAWXVFILRALM-HRTMPFAESA-N 2 0 343.559 3.368 10 0 EGAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000459743126 458465924 /nfs/dbraw/zinc/46/59/24/458465924.db2.gz WHGIFJKFQGJRBN-LBPRGKRZSA-N 2 0 329.257 3.410 10 0 EGAERP COC[C@@H]1CCC[N@H+](CC[C@H](C)[NH+]2CCC[C@H](COC)CC2)CC1 ZINC000452110805 458495032 /nfs/dbraw/zinc/49/50/32/458495032.db2.gz ZZXOUMNMNWHODZ-ZCNNSNEGSA-N 2 0 340.552 3.262 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](CC)CC ZINC000469057035 458552895 /nfs/dbraw/zinc/55/28/95/458552895.db2.gz UUXAUBXRCXIAME-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431790228 458625489 /nfs/dbraw/zinc/62/54/89/458625489.db2.gz FRMLCYDUDNYQRV-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000502045563 458634703 /nfs/dbraw/zinc/63/47/03/458634703.db2.gz FVGDGTLZKMNLKF-MOPGFXCFSA-N 2 0 330.520 3.282 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000470774233 458649057 /nfs/dbraw/zinc/64/90/57/458649057.db2.gz RPGQSYFIIOSIHE-WTNAPCKOSA-N 2 0 340.511 3.405 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@H]2CC[NH2+]C24CCC4)C3)cc1 ZINC000530217671 458720316 /nfs/dbraw/zinc/72/03/16/458720316.db2.gz VHAYYADRWGIPGM-HAGHYFMRSA-N 2 0 325.500 3.056 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000547431854 458739051 /nfs/dbraw/zinc/73/90/51/458739051.db2.gz APSJZMVASQUYJA-UONOGXRCSA-N 2 0 327.875 3.156 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494888361 458761295 /nfs/dbraw/zinc/76/12/95/458761295.db2.gz YLEFXPVCUZOKSF-APWZRJJASA-N 2 0 343.515 3.065 10 0 EGAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000494911739 458765225 /nfs/dbraw/zinc/76/52/25/458765225.db2.gz RXEUCGIXCMZVFM-LJQANCHMSA-N 2 0 343.515 3.209 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@@H]1C ZINC000495067027 458792225 /nfs/dbraw/zinc/79/22/25/458792225.db2.gz HQNCFMPUAWAJTN-LZJOCLMNSA-N 2 0 346.515 3.310 10 0 EGAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCN(c2ccccc2)C1 ZINC000518385460 458864103 /nfs/dbraw/zinc/86/41/03/458864103.db2.gz TVUBARJNHDZZPR-QFIPXVFZSA-N 2 0 335.495 3.433 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CC1(O)CCCCCC1 ZINC000548317383 458864318 /nfs/dbraw/zinc/86/43/18/458864318.db2.gz FHGUVCMRSOKUDX-UHFFFAOYSA-N 2 0 328.460 3.093 10 0 EGAERP FC(F)(F)c1ccc([C@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000519156744 458920879 /nfs/dbraw/zinc/92/08/79/458920879.db2.gz KFXLBZXRRJEHCO-QGZVFWFLSA-N 2 0 341.421 3.138 10 0 EGAERP CC(C)[C@H](C[NH2+]CCc1ccc(C(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC000519791526 459005531 /nfs/dbraw/zinc/00/55/31/459005531.db2.gz NGMDAGZRQCQZOE-NRFANRHFSA-N 2 0 345.575 3.388 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H]2CCC[C@@H]21 ZINC000556872406 459025938 /nfs/dbraw/zinc/02/59/38/459025938.db2.gz ZXPGEEOEUXFNAN-AABGKKOBSA-N 3 0 347.572 3.423 10 0 EGAERP c1cncc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)c1 ZINC000567352692 459091715 /nfs/dbraw/zinc/09/17/15/459091715.db2.gz KXJRDGCOEQJAKW-BGYRXZFFSA-N 2 0 337.467 3.092 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000567381836 459097421 /nfs/dbraw/zinc/09/74/21/459097421.db2.gz NBBPYDXCWTUHKZ-ISRNJUKQSA-N 2 0 326.444 3.273 10 0 EGAERP COC(=O)c1cc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)c(C)o1 ZINC000594598918 459105312 /nfs/dbraw/zinc/10/53/12/459105312.db2.gz DCXNQUFKTJBLGC-GJZGRUSLSA-N 2 0 336.476 3.222 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2cc(C(=O)OC)oc2C)c1 ZINC000594614704 459115457 /nfs/dbraw/zinc/11/54/57/459115457.db2.gz LYTMLPKPGXRYAB-UHFFFAOYSA-N 2 0 330.428 3.116 10 0 EGAERP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)c1cccc(N2CCOCC2)c1 ZINC000567604043 459132220 /nfs/dbraw/zinc/13/22/20/459132220.db2.gz WIIIEUOTUPGLSK-KRWDZBQOSA-N 2 0 331.504 3.226 10 0 EGAERP CCC[C@@H](C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412406 459155321 /nfs/dbraw/zinc/15/53/21/459155321.db2.gz YZMJIIREXJMILO-CTNGQTDRSA-N 2 0 329.532 3.315 10 0 EGAERP CC[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851590 459178312 /nfs/dbraw/zinc/17/83/12/459178312.db2.gz QQQHLELCKINORJ-HXUWFJFHSA-N 2 0 327.516 3.258 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCC[C@@H]1C ZINC000480624218 459209237 /nfs/dbraw/zinc/20/92/37/459209237.db2.gz JGFMCLQPEAZPRN-DYXWJJEUSA-N 2 0 329.532 3.361 10 0 EGAERP O[C@@H]1CCCC[C@@H]1C[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000568050774 459215329 /nfs/dbraw/zinc/21/53/29/459215329.db2.gz DZORGOYLJYYXEM-KURKYZTESA-N 2 0 334.529 3.243 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000569434401 459448854 /nfs/dbraw/zinc/44/88/54/459448854.db2.gz JXRGTZDPTKHMSZ-AZUAARDMSA-N 2 0 329.532 3.013 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000569434403 459449204 /nfs/dbraw/zinc/44/92/04/459449204.db2.gz JXRGTZDPTKHMSZ-QUCCMNQESA-N 2 0 329.532 3.013 10 0 EGAERP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000583463409 459543200 /nfs/dbraw/zinc/54/32/00/459543200.db2.gz AAPWKACJTZZKGK-PKOBYXMFSA-N 2 0 331.504 3.494 10 0 EGAERP CN(CCC[NH+](C)C)C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000542635747 459577020 /nfs/dbraw/zinc/57/70/20/459577020.db2.gz QXNXMCFOJNYBME-UHFFFAOYSA-N 2 0 346.519 3.130 10 0 EGAERP C[C@H](CC(=O)OC(C)(C)C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000592404541 459596128 /nfs/dbraw/zinc/59/61/28/459596128.db2.gz ZRLIYVBGDVBUGH-NXHRZFHOSA-N 2 0 332.488 3.042 10 0 EGAERP C[S@@](=O)C1(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779648 459801756 /nfs/dbraw/zinc/80/17/56/459801756.db2.gz HOKPWGSUKBAWSW-MHECFPHRSA-N 2 0 346.540 3.074 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](CC)c2ccccc2F)CC[NH2+]CC1 ZINC000593318221 459839683 /nfs/dbraw/zinc/83/96/83/459839683.db2.gz BPBXWGKZVWJQHJ-PBHICJAKSA-N 2 0 336.451 3.188 10 0 EGAERP C[C@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1I ZINC000593318196 459839962 /nfs/dbraw/zinc/83/99/62/459839962.db2.gz AZHOPWJGCXXXRW-NSHDSACASA-N 2 0 344.240 3.071 10 0 EGAERP CCOC(=O)c1cccc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)n1 ZINC000600124043 460392462 /nfs/dbraw/zinc/39/24/62/460392462.db2.gz NWWAYZAAJZCVIX-CALCHBBNSA-N 2 0 347.503 3.106 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000623932043 460785685 /nfs/dbraw/zinc/78/56/85/460785685.db2.gz WWBZKPKLKWTXQU-FQEVSTJZSA-N 2 0 344.547 3.109 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000629513410 460789314 /nfs/dbraw/zinc/78/93/14/460789314.db2.gz IKAAUDJCHFFVEE-SVERHTFXSA-N 2 0 341.293 3.196 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2cccc(Br)c21 ZINC000629519606 460792938 /nfs/dbraw/zinc/79/29/38/460792938.db2.gz BVULYQBBDGNMIM-BXUZGUMPSA-N 2 0 339.277 3.095 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1sc(-c2ccc(F)cc2)nc1C ZINC000629529279 460798339 /nfs/dbraw/zinc/79/83/39/460798339.db2.gz XOMYYLUSBSKTCR-LBPRGKRZSA-N 2 0 337.464 3.144 10 0 EGAERP Cc1ccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1NC(=O)CC[NH+](C)C ZINC000623961756 460799670 /nfs/dbraw/zinc/79/96/70/460799670.db2.gz MYWPLLJPHBNNAH-QGZVFWFLSA-N 2 0 346.519 3.170 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991965 460813262 /nfs/dbraw/zinc/81/32/62/460813262.db2.gz XFLQPQMHIVSXQL-OCCSQVGLSA-N 2 0 348.384 3.342 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991966 460813568 /nfs/dbraw/zinc/81/35/68/460813568.db2.gz XFLQPQMHIVSXQL-TZMCWYRMSA-N 2 0 348.384 3.342 10 0 EGAERP C[C@]1(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)CC[NH2+]C1 ZINC000629649777 460845608 /nfs/dbraw/zinc/84/56/08/460845608.db2.gz GITMJGBJBIRCNF-FQEVSTJZSA-N 2 0 346.519 3.371 10 0 EGAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000624310829 460952911 /nfs/dbraw/zinc/95/29/11/460952911.db2.gz LGPAMNIJBMSNQD-WRTQPQOASA-N 2 0 328.500 3.302 10 0 EGAERP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662254104 461143401 /nfs/dbraw/zinc/14/34/01/461143401.db2.gz ZVUDMDOULCGNKJ-CYBMUJFWSA-N 2 0 329.271 3.336 10 0 EGAERP CC(C)([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)c(Cl)c1 ZINC000662259029 461147239 /nfs/dbraw/zinc/14/72/39/461147239.db2.gz OLTFGCPSEHISIP-LBPRGKRZSA-N 2 0 329.271 3.339 10 0 EGAERP Cc1cc(C)c(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)c1 ZINC000662293234 461170453 /nfs/dbraw/zinc/17/04/53/461170453.db2.gz DSQDOLPJHNIXPN-IBGZPJMESA-N 2 0 343.515 3.262 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662350484 461205188 /nfs/dbraw/zinc/20/51/88/461205188.db2.gz CHVDWMVFWJJRDT-QFBILLFUSA-N 2 0 343.515 3.060 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000662593072 461309030 /nfs/dbraw/zinc/30/90/30/461309030.db2.gz GWMQYKYNYIVGKQ-WOJBJXKFSA-N 2 0 349.563 3.303 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1 ZINC000633889955 461316573 /nfs/dbraw/zinc/31/65/73/461316573.db2.gz WWXXMAUSSQQHAP-HXUWFJFHSA-N 2 0 345.531 3.279 10 0 EGAERP COc1cc(C[N@H+](C)CC2CN(C)C2)ccc1OCc1cccs1 ZINC000668537217 461318451 /nfs/dbraw/zinc/31/84/51/461318451.db2.gz BEHBBJQBOZOJMW-UHFFFAOYSA-N 2 0 346.496 3.329 10 0 EGAERP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC[C@H](C)[NH3+] ZINC000662653990 461337854 /nfs/dbraw/zinc/33/78/54/461337854.db2.gz AXJSIOHVYIUZCQ-HNNXBMFYSA-N 2 0 339.911 3.138 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804051 461464106 /nfs/dbraw/zinc/46/41/06/461464106.db2.gz NHTDKVKXUPGFPM-JMSVASOKSA-N 2 0 343.284 3.449 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000631053304 461506119 /nfs/dbraw/zinc/50/61/19/461506119.db2.gz SDKDAPAHNKTRAL-UHFFFAOYSA-N 2 0 340.515 3.429 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCC2(CCCC2)O1 ZINC000655863850 461509940 /nfs/dbraw/zinc/50/99/40/461509940.db2.gz QPCGXELSPRKJBP-SFHVURJKSA-N 2 0 326.444 3.157 10 0 EGAERP C[C@@H](C[NH2+]Cc1oc2ccccc2c1Cl)CN1CC[NH+](C)CC1 ZINC000631063880 461515737 /nfs/dbraw/zinc/51/57/37/461515737.db2.gz OIGIZQWBQIYUFL-AWEZNQCLSA-N 2 0 335.879 3.059 10 0 EGAERP C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154142 461609485 /nfs/dbraw/zinc/60/94/85/461609485.db2.gz JGBDLQBAUNVOJA-RXVVDRJESA-N 2 0 343.559 3.442 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000631256778 461677880 /nfs/dbraw/zinc/67/78/80/461677880.db2.gz XEVVPJFIAJZTTF-RTBURBONSA-N 2 0 326.444 3.013 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@@H]2CCCO2)cc1 ZINC000656407649 461735724 /nfs/dbraw/zinc/73/57/24/461735724.db2.gz TWRQXJPEUZBEQT-CUUWFGFTSA-N 2 0 340.511 3.398 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800433 461843487 /nfs/dbraw/zinc/84/34/87/461843487.db2.gz BAFLQUFBFDALMM-CZUORRHYSA-N 2 0 343.496 3.443 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+]CCC[C@@H]3CCO3)C3(CCC3)C2)cc1 ZINC000639328729 461863087 /nfs/dbraw/zinc/86/30/87/461863087.db2.gz JMQIILJYJKBZRP-VQTJNVASSA-N 2 0 328.500 3.447 10 0 EGAERP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656785552 461896326 /nfs/dbraw/zinc/89/63/26/461896326.db2.gz LXCJGSPMZDYWTL-INIZCTEOSA-N 2 0 342.462 3.427 10 0 EGAERP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719190 461911361 /nfs/dbraw/zinc/91/13/61/461911361.db2.gz HEISDPDZZMCARC-INIZCTEOSA-N 2 0 339.483 3.475 10 0 EGAERP COc1ccc(Br)cc1C1([NH2+]CC[C@H]2CC[NH2+]C2)CC1 ZINC000647995236 461928525 /nfs/dbraw/zinc/92/85/25/461928525.db2.gz IMDCDLKABMDLKF-GFCCVEGCSA-N 2 0 339.277 3.036 10 0 EGAERP Cc1c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1cccc(Cl)c1 ZINC000650744643 461929383 /nfs/dbraw/zinc/92/93/83/461929383.db2.gz SGRJDIRDNNBMLG-LBPRGKRZSA-N 2 0 333.867 3.009 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000650747645 461930301 /nfs/dbraw/zinc/93/03/01/461930301.db2.gz DXVFPEWMQUSILR-MRXNPFEDSA-N 2 0 337.305 3.489 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000650760058 461940621 /nfs/dbraw/zinc/94/06/21/461940621.db2.gz WEFLTQWKOAOTCU-CQSZACIVSA-N 2 0 344.455 3.283 10 0 EGAERP Fc1ccc(OCCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657307957 462032781 /nfs/dbraw/zinc/03/27/81/462032781.db2.gz WBGIZCZVRGXDSC-UHFFFAOYSA-N 2 0 340.402 3.355 10 0 EGAERP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657311478 462035964 /nfs/dbraw/zinc/03/59/64/462035964.db2.gz KXALPDOOHOLVAY-ZDUSSCGKSA-N 2 0 332.414 3.041 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336709 462056596 /nfs/dbraw/zinc/05/65/96/462056596.db2.gz YMIRTZMJFYJOSD-RBUKOAKNSA-N 2 0 332.488 3.064 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657347295 462062302 /nfs/dbraw/zinc/06/23/02/462062302.db2.gz QBRAWTORBBKIRV-HXUWFJFHSA-N 2 0 332.488 3.066 10 0 EGAERP COc1ccc(CCC[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000667534419 462131825 /nfs/dbraw/zinc/13/18/25/462131825.db2.gz XMLOGTGOQYOBTA-UHFFFAOYSA-N 2 0 336.439 3.341 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667534422 462132480 /nfs/dbraw/zinc/13/24/80/462132480.db2.gz XQGCMAVHRQXKFG-ZHALLVOQSA-N 2 0 339.487 3.105 10 0 EGAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCc3ccccc3C2)CC1 ZINC000648476347 462137699 /nfs/dbraw/zinc/13/76/99/462137699.db2.gz YBIWWXNDYFELCQ-FDFHNCONSA-N 2 0 342.527 3.292 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2sccc21 ZINC000651228251 462145170 /nfs/dbraw/zinc/14/51/70/462145170.db2.gz DOVRMVFTMDJQIR-VKJFTORMSA-N 2 0 333.545 3.445 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccccc3C(C)(C)C2)CC1 ZINC000661212469 462153936 /nfs/dbraw/zinc/15/39/36/462153936.db2.gz DATSCSJYGDJKEN-UHFFFAOYSA-N 2 0 343.559 3.238 10 0 EGAERP c1c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)[nH]c2ccccc12 ZINC000657537627 462171547 /nfs/dbraw/zinc/17/15/47/462171547.db2.gz RNCLCNAMLYWIDK-UHFFFAOYSA-N 2 0 327.472 3.149 10 0 EGAERP c1nc(C2CC2)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657537791 462171966 /nfs/dbraw/zinc/17/19/66/462171966.db2.gz SPEKZAHKEXXWEY-UHFFFAOYSA-N 2 0 335.517 3.001 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3F)cc2)C1 ZINC000657595305 462197535 /nfs/dbraw/zinc/19/75/35/462197535.db2.gz GPPLRXAAAIMVEX-SFHVURJKSA-N 2 0 348.849 3.336 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)COC)cc2)[C@@H](C)C1 ZINC000667666747 462202261 /nfs/dbraw/zinc/20/22/61/462202261.db2.gz XBRJRQVETQISLS-QKLQHJQFSA-N 2 0 334.504 3.262 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681886 462210907 /nfs/dbraw/zinc/21/09/07/462210907.db2.gz UNUSIPGXSAUPPI-LJQANCHMSA-N 2 0 329.488 3.409 10 0 EGAERP C[C@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCC[NH+]1CCOCC1 ZINC000657839384 462290581 /nfs/dbraw/zinc/29/05/81/462290581.db2.gz TWFVIEPAEBMXTQ-GOSISDBHSA-N 2 0 330.516 3.198 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@H]2CO[C@@H](C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000667914463 462319084 /nfs/dbraw/zinc/31/90/84/462319084.db2.gz HVMNIDVKQCKBPT-XRULBBBTSA-N 2 0 328.500 3.444 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651753572 462325769 /nfs/dbraw/zinc/32/57/69/462325769.db2.gz WESSISOARNYRDB-MRXNPFEDSA-N 2 0 339.886 3.082 10 0 EGAERP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752582 462325898 /nfs/dbraw/zinc/32/58/98/462325898.db2.gz LQFBKLGQUVXRLS-UYAOXDASSA-N 2 0 331.504 3.036 10 0 EGAERP CC(C)n1cc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cn1 ZINC000658068488 462366497 /nfs/dbraw/zinc/36/64/97/462366497.db2.gz WXKVLBUKJITWGH-INIZCTEOSA-N 2 0 334.508 3.006 10 0 EGAERP c1cncc([C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CCC2)c1 ZINC000658070430 462367774 /nfs/dbraw/zinc/36/77/74/462367774.db2.gz OUKSFQJPCYLNOO-OAQYLSRUSA-N 2 0 343.515 3.403 10 0 EGAERP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000658071951 462368590 /nfs/dbraw/zinc/36/85/90/462368590.db2.gz LBMKQRKXUSGCRU-AEFFLSMTSA-N 2 0 340.552 3.307 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265578 462376779 /nfs/dbraw/zinc/37/67/79/462376779.db2.gz YPWWNTNXPBCQIS-HOCLYGCPSA-N 2 0 337.305 3.489 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000665276774 462380060 /nfs/dbraw/zinc/38/00/60/462380060.db2.gz MGINLRSUHYYNBA-CEWLAPEOSA-N 3 0 341.543 3.266 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]C1 ZINC000665276777 462380218 /nfs/dbraw/zinc/38/02/18/462380218.db2.gz MGINLRSUHYYNBA-TYPHKJRUSA-N 3 0 341.543 3.266 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCCC23CCCCC3)CC1 ZINC000665289208 462386894 /nfs/dbraw/zinc/38/68/94/462386894.db2.gz IXVVPKFRNIZZCP-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142190 462404518 /nfs/dbraw/zinc/40/45/18/462404518.db2.gz VDCDQPPRVIWVFR-FPOVZHCZSA-N 2 0 340.442 3.169 10 0 EGAERP FC1(F)C[C@@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168631 462416334 /nfs/dbraw/zinc/41/63/34/462416334.db2.gz IPUUIELSWNNOCW-FBVQUNGASA-N 2 0 336.426 3.196 10 0 EGAERP FC1(F)C[C@@H]1OCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168634 462416974 /nfs/dbraw/zinc/41/69/74/462416974.db2.gz IPUUIELSWNNOCW-MHORFTMASA-N 2 0 336.426 3.196 10 0 EGAERP Cc1cncc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000658262362 462446648 /nfs/dbraw/zinc/44/66/48/462446648.db2.gz QZSPUFSOXINHPG-MZADTFQBSA-N 2 0 336.483 3.113 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652157601 462455314 /nfs/dbraw/zinc/45/53/14/462455314.db2.gz GCCIVEGPPCNXIG-NRFANRHFSA-N 2 0 344.547 3.319 10 0 EGAERP OC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000658284232 462455824 /nfs/dbraw/zinc/45/58/24/462455824.db2.gz GCJODBYXYQEISL-HODLZWQNSA-N 2 0 342.527 3.428 10 0 EGAERP COc1cc(NC(C)=O)ccc1[C@@H](C)NCCC[N@H+](C)CC(C)C ZINC000652221966 462476487 /nfs/dbraw/zinc/47/64/87/462476487.db2.gz AXIWSFALJUCOQD-OAHLLOKOSA-N 2 0 335.492 3.282 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000658329848 462478967 /nfs/dbraw/zinc/47/89/67/462478967.db2.gz OLPFAKJOYLDBHB-YSIASYRMSA-N 2 0 340.552 3.308 10 0 EGAERP Cc1cc(OCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)ccc1C(C)C ZINC000646101967 462517913 /nfs/dbraw/zinc/51/79/13/462517913.db2.gz AXBZUAOGIZZANA-UHFFFAOYSA-N 2 0 346.515 3.294 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](CCSc1ccc(Cl)cc1)CCO2 ZINC000646103796 462518653 /nfs/dbraw/zinc/51/86/53/462518653.db2.gz PABQRDUEOOXWJK-UHFFFAOYSA-N 2 0 340.920 3.229 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353439843 535609901 /nfs/dbraw/zinc/60/99/01/535609901.db2.gz JRZUOZXUHUDITD-PWRODBHTSA-N 3 0 329.532 3.491 10 0 EGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000236908268 535611214 /nfs/dbraw/zinc/61/12/14/535611214.db2.gz VJGNJVCLQWRMQN-UXPWSPDFSA-N 2 0 343.515 3.065 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000090943251 546661662 /nfs/dbraw/zinc/66/16/62/546661662.db2.gz HQANRLFNOVKKCA-MJXNMMHHSA-N 2 0 337.458 3.030 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119694142 546708585 /nfs/dbraw/zinc/70/85/85/546708585.db2.gz UIZGWMDSBNLVLG-WIYYLYMNSA-N 3 0 329.532 3.361 10 0 EGAERP C[NH+]1CCN(CCC[NH2+][C@@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000162529456 546965203 /nfs/dbraw/zinc/96/52/03/546965203.db2.gz SCBZJLOBVTYVOV-QFIPXVFZSA-N 2 0 343.559 3.405 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cccc3cnccc32)C[C@@H](C)O1 ZINC000181505921 547068761 /nfs/dbraw/zinc/06/87/61/547068761.db2.gz DJJSBLZENQRTRD-IAGOWNOFSA-N 2 0 327.472 3.214 10 0 EGAERP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)OCCCO1 ZINC000190648282 547173616 /nfs/dbraw/zinc/17/36/16/547173616.db2.gz BBPXXABRCOUSJL-HSALFYBXSA-N 2 0 344.499 3.030 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542560 547824170 /nfs/dbraw/zinc/82/41/70/547824170.db2.gz RMXMIUOQRVMBNL-NYVOZVTQSA-N 2 0 339.527 3.113 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000671744380 548351521 /nfs/dbraw/zinc/35/15/21/548351521.db2.gz BGRUSAHBBNQZLR-LNRXMEIDSA-N 2 0 341.543 3.361 10 0 EGAERP Cn1cc([C@@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C)cn1 ZINC000673931633 548656020 /nfs/dbraw/zinc/65/60/20/548656020.db2.gz JZJPSGIRFGPKNG-LJQANCHMSA-N 2 0 344.503 3.238 10 0 EGAERP COCc1ccc(C[NH2+][C@H](Cc2nccn2C)c2ccccc2)o1 ZINC000675761919 548975107 /nfs/dbraw/zinc/97/51/07/548975107.db2.gz JSSCPEYNIQYGIT-GOSISDBHSA-N 2 0 325.412 3.233 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@H]1c1cccs1)C1CC[NH+](C)CC1 ZINC000675902655 549001676 /nfs/dbraw/zinc/00/16/76/549001676.db2.gz XNKDSJXIXQALPX-KVSKMBFKSA-N 2 0 335.561 3.451 10 0 EGAERP CO[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1C ZINC000682245883 550086103 /nfs/dbraw/zinc/08/61/03/550086103.db2.gz VMZRLYLXISKIIV-FXAWDEMLSA-N 2 0 332.488 3.018 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CCC[C@H](OC)C3)CC2)cc1 ZINC000684374220 550321169 /nfs/dbraw/zinc/32/11/69/550321169.db2.gz KYQOOKSSMJZPLS-CTNGQTDRSA-N 2 0 346.515 3.454 10 0 EGAERP CC(C)C[C@@H](CO)[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685470137 550421127 /nfs/dbraw/zinc/42/11/27/550421127.db2.gz BMSRALJLCSSKDH-IBGZPJMESA-N 2 0 334.504 3.000 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(c3ccc(C)cc3)C2=O)CC1 ZINC000741781519 576720529 /nfs/dbraw/zinc/72/05/29/576720529.db2.gz CCNYHRSEBGYFFM-FQEVSTJZSA-N 2 0 343.515 3.154 10 0 EGAERP COC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000169782601 1294372958 /nfs/dbraw/zinc/37/29/58/1294372958.db2.gz NKUAPKFOIWTOKY-KRWDZBQOSA-N 2 0 332.488 3.301 10 0 EGAERP CCC1([NH+]2CCCC2)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC000870269171 1295777326 /nfs/dbraw/zinc/77/73/26/1295777326.db2.gz NZXBUYAFMSSZOX-UHFFFAOYSA-N 2 0 335.536 3.120 10 0 EGAERP C[C@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2ccnc2)c1 ZINC000870783573 1296075724 /nfs/dbraw/zinc/07/57/24/1296075724.db2.gz AUDXTGUPQNVIIH-APWZRJJASA-N 2 0 341.455 3.351 10 0 EGAERP c1ccc2c(c1)CCCC[C@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000872040503 1296690486 /nfs/dbraw/zinc/69/04/86/1296690486.db2.gz ZLRUCPMQQZGTMS-GCJKJVERSA-N 2 0 342.527 3.415 10 0 EGAERP O=C1OCC[C@H]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000872114819 1296740809 /nfs/dbraw/zinc/74/08/09/1296740809.db2.gz YGPBXJMEANSPDV-WTGUMLROSA-N 2 0 342.483 3.115 10 0 EGAERP Cc1cccc(Cl)c1NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155995 1296771392 /nfs/dbraw/zinc/77/13/92/1296771392.db2.gz CCKPOHHMZSLNTE-AWEZNQCLSA-N 2 0 325.884 3.426 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])c1cc2ccccc2o1 ZINC000872155685 1296772083 /nfs/dbraw/zinc/77/20/83/1296772083.db2.gz YLQSZLGTVCWDEY-CVEARBPZSA-N 2 0 345.487 3.449 10 0 EGAERP c1ccc(C[NH+]2CCC3(CCN(C[C@@H]4CCCC[NH2+]4)C3)CC2)cc1 ZINC000379864140 1297542764 /nfs/dbraw/zinc/54/27/64/1297542764.db2.gz WMRJAFBMMVAXNK-FQEVSTJZSA-N 2 0 327.516 3.117 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716658219 1298301519 /nfs/dbraw/zinc/30/15/19/1298301519.db2.gz JENIIHPZGMCSMT-WBVHZDCISA-N 2 0 339.524 3.096 10 0 EGAERP CSC1(C[NH2+]Cc2nc(C(C)(C)C)cs2)CC[NH+](C)CC1 ZINC000865573743 1329715314 /nfs/dbraw/zinc/71/53/14/1329715314.db2.gz LTZDYGAWVLBHDM-UHFFFAOYSA-N 2 0 327.563 3.358 10 0 EGAERP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@]45CCOC5)CC[C@@H]32)cc1 ZINC000886043664 1303332251 /nfs/dbraw/zinc/33/22/51/1303332251.db2.gz HORZTEMEOLHASR-CLAROIROSA-N 2 0 340.511 3.400 10 0 EGAERP COC(=O)[C@@H]1CC[C@H]([NH2+]C2[C@@H](C)C[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000886540612 1303492460 /nfs/dbraw/zinc/49/24/60/1303492460.db2.gz IIYWPDLYZOBXDV-DKKFBQAASA-N 2 0 344.499 3.074 10 0 EGAERP COC(=O)[C@@H]1CC[C@H]([NH2+]C2[C@H](C)C[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000886540615 1303492699 /nfs/dbraw/zinc/49/26/99/1303492699.db2.gz IIYWPDLYZOBXDV-RWQQGDIJSA-N 2 0 344.499 3.074 10 0 EGAERP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886609556 1303522116 /nfs/dbraw/zinc/52/21/16/1303522116.db2.gz WKIKRHUXDIWEEZ-GVVDHYSOSA-N 2 0 328.500 3.302 10 0 EGAERP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886609558 1303522192 /nfs/dbraw/zinc/52/21/92/1303522192.db2.gz WKIKRHUXDIWEEZ-RQSWOZRGSA-N 2 0 328.500 3.302 10 0 EGAERP Cc1cn(C(C)(C)C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000896148828 1309719999 /nfs/dbraw/zinc/71/99/99/1309719999.db2.gz HLLIABXTKONZAM-SFHVURJKSA-N 2 0 346.519 3.041 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858119068 1328687726 /nfs/dbraw/zinc/68/77/26/1328687726.db2.gz LDJWMZHNRKXRNO-JKSUJKDBSA-N 2 0 339.524 3.096 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858173585 1328703848 /nfs/dbraw/zinc/70/38/48/1328703848.db2.gz GJVLTNLQEQAWCX-OAGGEKHMSA-N 2 0 339.524 3.142 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+][C@@H](C)CN2CC[NH+](C)CC2)c1Cl ZINC000921705324 1322381270 /nfs/dbraw/zinc/38/12/70/1322381270.db2.gz SRWMXWKMXQSWFR-LBPRGKRZSA-N 2 0 330.303 3.027 10 0 EGAERP Cc1cnc(Cl)c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)c1 ZINC000921759781 1322393840 /nfs/dbraw/zinc/39/38/40/1322393840.db2.gz NGKPPHVASXUSKV-GJZGRUSLSA-N 2 0 325.884 3.022 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921785219 1322397642 /nfs/dbraw/zinc/39/76/42/1322397642.db2.gz YDIBZTZAEFITKI-UHFFFAOYSA-N 2 0 346.338 3.426 10 0 EGAERP Fc1ccc(CN2CCC[N@H+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cc1 ZINC000923320432 1322733391 /nfs/dbraw/zinc/73/33/91/1322733391.db2.gz YGGSRQXOVCHERB-VCSGRIEYSA-N 2 0 345.506 3.254 10 0 EGAERP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451024 1322754074 /nfs/dbraw/zinc/75/40/74/1322754074.db2.gz KTWYLHPXUUZZFD-RDJZCZTQSA-N 2 0 341.455 3.232 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(Cl)ccc1Cl)CC2 ZINC000923451398 1322754473 /nfs/dbraw/zinc/75/44/73/1322754473.db2.gz ATMKBSQSDLBVEA-CQSZACIVSA-N 2 0 329.271 3.323 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1C[NH3+] ZINC000923501465 1322763881 /nfs/dbraw/zinc/76/38/81/1322763881.db2.gz USNYCZZFHAYVDL-APWZRJJASA-N 2 0 337.467 3.356 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000924692291 1323115351 /nfs/dbraw/zinc/11/53/51/1323115351.db2.gz LXZZHZFZKSVKME-IAGOWNOFSA-N 2 0 334.504 3.168 10 0 EGAERP CC[C@@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(OC)n1 ZINC000924863457 1323192398 /nfs/dbraw/zinc/19/23/98/1323192398.db2.gz XVWGPIXTARDBSF-QGZVFWFLSA-N 2 0 343.471 3.272 10 0 EGAERP C[C@H]1CC2(CC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)C2)CO1 ZINC000924938312 1323220563 /nfs/dbraw/zinc/22/05/63/1323220563.db2.gz JRFPQYXZWOLJFT-GUSVMJMASA-N 2 0 328.500 3.098 10 0 EGAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938629 1323221605 /nfs/dbraw/zinc/22/16/05/1323221605.db2.gz NBGZANQWKUVQFR-QHAWAJNXSA-N 2 0 330.516 3.202 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924940210 1323222842 /nfs/dbraw/zinc/22/28/42/1323222842.db2.gz ZQKMRKFBLNROCI-SIKLNZKXSA-N 2 0 342.527 3.346 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924956148 1323227602 /nfs/dbraw/zinc/22/76/02/1323227602.db2.gz UBSMHHDFZOEYFW-MGPUTAFESA-N 2 0 349.494 3.103 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC3CCC2CC3)CC1 ZINC000925224438 1325086597 /nfs/dbraw/zinc/08/65/97/1325086597.db2.gz ZXEONJXOCQQRAZ-BPZDKFOGSA-N 2 0 328.500 3.312 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000925299341 1325117428 /nfs/dbraw/zinc/11/74/28/1325117428.db2.gz BSXOVFTWPJCEPT-ICSRJNTNSA-N 2 0 329.488 3.093 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480431 1325168923 /nfs/dbraw/zinc/16/89/23/1325168923.db2.gz KINDXLFPZNMANY-NUEKZKHPSA-N 2 0 331.460 3.200 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530386 1325193885 /nfs/dbraw/zinc/19/38/85/1325193885.db2.gz KFEZQUXRPACGAC-PMPSAXMXSA-N 2 0 347.469 3.017 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925533428 1325194959 /nfs/dbraw/zinc/19/49/59/1325194959.db2.gz BBAPWELBWVRDSI-AFYVEPGGSA-N 2 0 329.532 3.393 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@H]2CCCN(Cc3cccs3)C2)C[C@@H]([NH3+])C1 ZINC000925535480 1325196626 /nfs/dbraw/zinc/19/66/26/1325196626.db2.gz XUTZZPPBMQLDPT-ZACQAIPSSA-N 2 0 335.561 3.456 10 0 EGAERP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925561616 1325210359 /nfs/dbraw/zinc/21/03/59/1325210359.db2.gz KZFGQOLTXQVRJW-JCGIZDLHSA-N 2 0 331.504 3.211 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000925568354 1325214421 /nfs/dbraw/zinc/21/44/21/1325214421.db2.gz JXFPNKOPBSWGGR-HUUCEWRRSA-N 2 0 330.501 3.243 10 0 EGAERP c1cc2c(cc1CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)OCCO2 ZINC000925581635 1325219611 /nfs/dbraw/zinc/21/96/11/1325219611.db2.gz UDPYVNKROOBIQW-RBUKOAKNSA-N 2 0 344.499 3.148 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925621480 1325234680 /nfs/dbraw/zinc/23/46/80/1325234680.db2.gz HRGDKWSZOIYUAL-RTWAWAEBSA-N 2 0 346.515 3.360 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cc(F)cc(Cl)c1 ZINC000925659655 1325252916 /nfs/dbraw/zinc/25/29/16/1325252916.db2.gz ZCFNGHFMDPHNSR-FGTMMUONSA-N 2 0 340.870 3.270 10 0 EGAERP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)cc1 ZINC000925703629 1325265890 /nfs/dbraw/zinc/26/58/90/1325265890.db2.gz DJTFDJQKYCRDFK-VXXGZENSSA-N 2 0 346.490 3.314 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CC1 ZINC000925707282 1325266208 /nfs/dbraw/zinc/26/62/08/1325266208.db2.gz ORFAOICQUNRZPA-KRWDZBQOSA-N 2 0 349.519 3.160 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(Br)c(F)c1F ZINC000925717647 1325268448 /nfs/dbraw/zinc/26/84/48/1325268448.db2.gz CLMXGZAMZGSVCP-VJQLOYKJSA-N 2 0 345.231 3.333 10 0 EGAERP C[C@@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725700 1325270229 /nfs/dbraw/zinc/27/02/29/1325270229.db2.gz NCBBRPASHRLAFV-BVEJCMGZSA-N 2 0 347.300 3.206 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728968 1325273734 /nfs/dbraw/zinc/27/37/34/1325273734.db2.gz GLIHKEQIMWPCTJ-CABCVRRESA-N 2 0 335.289 3.340 10 0 EGAERP C[C@H](NC[C@H]1C[NH2+]CCC1(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000925780791 1325298706 /nfs/dbraw/zinc/29/87/06/1325298706.db2.gz GVBFLNZTSVQCCM-WCBMZHEXSA-N 2 0 338.229 3.471 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC000925797420 1325305483 /nfs/dbraw/zinc/30/54/83/1325305483.db2.gz HFLZMAUTWNXHMA-UMVBOHGHSA-N 2 0 347.894 3.125 10 0 EGAERP COc1ccc([C@@H](CCC(C)C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925816171 1325313352 /nfs/dbraw/zinc/31/33/52/1325313352.db2.gz VWXYZLPCLWWYSU-HXUWFJFHSA-N 2 0 333.520 3.185 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000925825704 1325318691 /nfs/dbraw/zinc/31/86/91/1325318691.db2.gz IYMYTFFZMYZQKC-DJIMGWMZSA-N 2 0 343.437 3.156 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)c(Cl)c1 ZINC000925847532 1325327571 /nfs/dbraw/zinc/32/75/71/1325327571.db2.gz YTLVOQMDLRHNJJ-AWEZNQCLSA-N 2 0 327.875 3.205 10 0 EGAERP O=C1O[C@@H](C[NH2+][C@@H](CC2CCC2)c2ccccc2)CC12CC[NH2+]CC2 ZINC000925859739 1325334535 /nfs/dbraw/zinc/33/45/35/1325334535.db2.gz XZYNIVDJJRXXAO-MOPGFXCFSA-N 2 0 342.483 3.193 10 0 EGAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925880995 1325340517 /nfs/dbraw/zinc/34/05/17/1325340517.db2.gz PFGSRJUWJUTKQG-QHAWAJNXSA-N 2 0 328.500 3.448 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000926137343 1325444125 /nfs/dbraw/zinc/44/41/25/1325444125.db2.gz UKIWMXHNVXKPKG-NMLBUPMWSA-N 2 0 344.499 3.028 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC[C@@H](C)[NH+]2CCCCC2)n(C)n1 ZINC000926141720 1325445534 /nfs/dbraw/zinc/44/55/34/1325445534.db2.gz INQAMIAIJILFCE-HBFSDRIKSA-N 2 0 332.536 3.294 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)ccn1 ZINC000926694203 1327670334 /nfs/dbraw/zinc/67/03/34/1327670334.db2.gz REIFLZLJABJCDL-NHCUHLMSSA-N 2 0 343.515 3.088 10 0 EGAERP C[C@@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926729089 1327686120 /nfs/dbraw/zinc/68/61/20/1327686120.db2.gz JQCOUHQPELBMOH-MRXNPFEDSA-N 2 0 331.504 3.225 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C2CC(CNC(=O)OC(C)(C)C)C2)CC1 ZINC000926795298 1327722312 /nfs/dbraw/zinc/72/23/12/1327722312.db2.gz GDUMUHFQPZJMGC-UHFFFAOYSA-N 2 0 339.524 3.142 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927016189 1327821278 /nfs/dbraw/zinc/82/12/78/1327821278.db2.gz JNEZVLOHJQRSDM-VQIMIIECSA-N 2 0 332.488 3.127 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000927015561 1327821283 /nfs/dbraw/zinc/82/12/83/1327821283.db2.gz JIVZZHJGEAACCP-QRVBRYPASA-N 2 0 338.536 3.205 10 0 EGAERP c1ccc(C[NH+]2CCCC[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000865803978 1329740034 /nfs/dbraw/zinc/74/00/34/1329740034.db2.gz NZPPWCQKUNNNSY-HBMCJLEFSA-N 2 0 327.516 3.258 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2[C@H]3C[C@H]4CO[C@H]2[C@H]4C3)CC1 ZINC000866447229 1330113543 /nfs/dbraw/zinc/11/35/43/1330113543.db2.gz WYYIZZFNFQLMEO-WKNAWJTGSA-N 2 0 340.511 3.443 10 0 EGAERP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562454 1330126921 /nfs/dbraw/zinc/12/69/21/1330126921.db2.gz SFMFJPVDXVRTTM-SFTDATJTSA-N 2 0 349.563 3.017 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)[C@@H](C)C1 ZINC000866609282 1330132404 /nfs/dbraw/zinc/13/24/04/1330132404.db2.gz HLEAHRFQNPEFSJ-XYQSWSQNSA-N 2 0 349.316 3.407 10 0 EGAERP CCC[NH+](CCC)CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868186889 1330260063 /nfs/dbraw/zinc/26/00/63/1330260063.db2.gz VGIMTWALHPWAAU-ZWKOTPCHSA-N 2 0 332.492 3.135 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@H]1CC ZINC001323145456 1387302102 /nfs/dbraw/zinc/30/21/02/1387302102.db2.gz ZBVXKKWPMVQECD-FAPWYTRCSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001323358266 1387350898 /nfs/dbraw/zinc/35/08/98/1387350898.db2.gz RWKBVDAYHMYIAJ-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001323542280 1387384445 /nfs/dbraw/zinc/38/44/45/1387384445.db2.gz OPSJMQWLLYGDDP-QGZVFWFLSA-N 2 0 345.531 3.272 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001323542278 1387384499 /nfs/dbraw/zinc/38/44/99/1387384499.db2.gz OPSJMQWLLYGDDP-KRWDZBQOSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001323566230 1387390774 /nfs/dbraw/zinc/39/07/74/1387390774.db2.gz GGZNAHGGGOSZCS-GOSISDBHSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323641549 1387415791 /nfs/dbraw/zinc/41/57/91/1387415791.db2.gz KCEKVIZDYZAUAB-SLVIYJBESA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001323859477 1387479001 /nfs/dbraw/zinc/47/90/01/1387479001.db2.gz WYIHKHGQJFTTDX-QEVIJRNUSA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001323860702 1387481513 /nfs/dbraw/zinc/48/15/13/1387481513.db2.gz UKFRUWGVJHTXLM-AUGFPLSNSA-N 2 0 349.563 3.243 10 0 EGAERP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001323958775 1387501242 /nfs/dbraw/zinc/50/12/42/1387501242.db2.gz YWXFOAPHCFZTIO-UHFFFAOYSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001324097978 1387541162 /nfs/dbraw/zinc/54/11/62/1387541162.db2.gz OCKGNVPXJBMZKY-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001324482808 1387640991 /nfs/dbraw/zinc/64/09/91/1387640991.db2.gz OBIGHVLGRGPZQK-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001324484506 1387642551 /nfs/dbraw/zinc/64/25/51/1387642551.db2.gz VVWPCDZNEHTVCD-RTBURBONSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001324557149 1387671912 /nfs/dbraw/zinc/67/19/12/1387671912.db2.gz OYGWOGLSMWEVDW-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001198104831 1368960721 /nfs/dbraw/zinc/96/07/21/1368960721.db2.gz SPYYEWYVIJQVRF-LJQANCHMSA-N 2 0 343.515 3.067 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001325691068 1388031039 /nfs/dbraw/zinc/03/10/39/1388031039.db2.gz ZGTRKKZZCUIURS-UHFFFAOYSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001325919635 1388083556 /nfs/dbraw/zinc/08/35/56/1388083556.db2.gz UWACHNZWTSAXNM-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001326274423 1388139245 /nfs/dbraw/zinc/13/92/45/1388139245.db2.gz LBGXTPUMNPOTEW-INIZCTEOSA-N 2 0 349.544 3.218 10 0 EGAERP C[C@H]([NH2+]CC1CC(C)(C)C1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001326482310 1388210746 /nfs/dbraw/zinc/21/07/46/1388210746.db2.gz WIXAZVKUFNEGEG-INIZCTEOSA-N 2 0 345.531 3.341 10 0 EGAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001124128528 1372678138 /nfs/dbraw/zinc/67/81/38/1372678138.db2.gz ONWWTUIQOXJUKT-UYAOXDASSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)CC=C(C)C)[NH+](C)C ZINC001326495376 1388218643 /nfs/dbraw/zinc/21/86/43/1388218643.db2.gz SSNPHCHVDUGACB-LJQANCHMSA-N 2 0 331.504 3.041 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001326566087 1388241557 /nfs/dbraw/zinc/24/15/57/1388241557.db2.gz FGMFIZRQZFMDKJ-WAAHFUDESA-N 2 0 337.552 3.170 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001326736587 1388295148 /nfs/dbraw/zinc/29/51/48/1388295148.db2.gz RWSPADGQEXUJPE-RTBURBONSA-N 2 0 345.531 3.287 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)CCC2)C1 ZINC001326844420 1388327357 /nfs/dbraw/zinc/32/73/57/1388327357.db2.gz PPMGYYXOTOBCHS-MSOLQXFVSA-N 2 0 347.547 3.068 10 0 EGAERP CC1CC[NH+](CC(=O)NCC2([NH2+]CCC3CCCCC3)CCC2)CC1 ZINC001326903808 1388344353 /nfs/dbraw/zinc/34/43/53/1388344353.db2.gz UYBQWADFKBXLGB-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327129053 1388392937 /nfs/dbraw/zinc/39/29/37/1388392937.db2.gz FLLZXNUJZJTHQT-MJRGOJFPSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@H](C)c1cccc(F)c1 ZINC001265131335 1377147965 /nfs/dbraw/zinc/14/79/65/1377147965.db2.gz VUEVDNZIBGQNJH-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001266023422 1377177264 /nfs/dbraw/zinc/17/72/64/1377177264.db2.gz LJSDNSXRVTXJCQ-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001266223764 1377235503 /nfs/dbraw/zinc/23/55/03/1377235503.db2.gz WQKNACBTCSVJGF-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266327893 1377275179 /nfs/dbraw/zinc/27/51/79/1377275179.db2.gz NVPVZAKPTULLCT-MRXNPFEDSA-N 2 0 328.460 3.027 10 0 EGAERP Cc1ccc(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)cc1C ZINC001266489089 1377319424 /nfs/dbraw/zinc/31/94/24/1377319424.db2.gz WGLOCXHLHSHINK-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267047410 1377408386 /nfs/dbraw/zinc/40/83/86/1377408386.db2.gz NKQCSHHZIIJDPA-VZSQWMKGSA-N 2 0 347.547 3.047 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267177220 1377423935 /nfs/dbraw/zinc/42/39/35/1377423935.db2.gz RCYFORCPMUZGHP-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001267180373 1377425653 /nfs/dbraw/zinc/42/56/53/1377425653.db2.gz ZJFVLPDTBUOLOQ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001267510227 1377449304 /nfs/dbraw/zinc/44/93/04/1377449304.db2.gz HKLLZRAFZGROGQ-LJQANCHMSA-N 2 0 337.552 3.432 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001137165154 1377489421 /nfs/dbraw/zinc/48/94/21/1377489421.db2.gz YXIHRGYINXIGFX-LMDPOFIKSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001269799270 1377573912 /nfs/dbraw/zinc/57/39/12/1377573912.db2.gz UCBWYFLZQAJCDQ-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC2CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001270158331 1377597094 /nfs/dbraw/zinc/59/70/94/1377597094.db2.gz RHCOVORBKNHGBM-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CC3CCCCCC3)C2)C1 ZINC001270830594 1377615299 /nfs/dbraw/zinc/61/52/99/1377615299.db2.gz SWGZVZCWQFDNNZ-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001271939470 1377653441 /nfs/dbraw/zinc/65/34/41/1377653441.db2.gz FQCNDMMRPINQFS-PMACEKPBSA-N 2 0 345.531 3.037 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001327462012 1388525634 /nfs/dbraw/zinc/52/56/34/1388525634.db2.gz LZTVDLDPNDDINQ-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001273609722 1378106654 /nfs/dbraw/zinc/10/66/54/1378106654.db2.gz DIWMFMVPLUYQOL-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP CCC1([NH2+]Cc2cccc(C)c2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001273782915 1378111270 /nfs/dbraw/zinc/11/12/70/1378111270.db2.gz QMGXFBQTTGWUDP-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001274340337 1378123405 /nfs/dbraw/zinc/12/34/05/1378123405.db2.gz WVWXQUXCXQBBON-GOSISDBHSA-N 2 0 349.563 3.412 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001327492501 1388535096 /nfs/dbraw/zinc/53/50/96/1388535096.db2.gz KKCXDVLZYHZRGE-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327492497 1388535230 /nfs/dbraw/zinc/53/52/30/1388535230.db2.gz KIUNMMZNSDFVHR-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001327501012 1388537768 /nfs/dbraw/zinc/53/77/68/1388537768.db2.gz UHZNYNAAJFNLFJ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC001277473308 1378226740 /nfs/dbraw/zinc/22/67/40/1378226740.db2.gz BWZGETPGAYBGTR-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[NH+]1CCC(C2(NC(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001279368029 1378307625 /nfs/dbraw/zinc/30/76/25/1378307625.db2.gz FNFSEMMHWXBAKP-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001142068338 1378410318 /nfs/dbraw/zinc/41/03/18/1378410318.db2.gz FPBQENIHTJYLMD-MJGOQNOKSA-N 2 0 345.531 3.449 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]Cc2ccc(F)cc2)CC1 ZINC001281526456 1378438068 /nfs/dbraw/zinc/43/80/68/1378438068.db2.gz CBBGDARLFUNGSU-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001282678610 1378551441 /nfs/dbraw/zinc/55/14/41/1378551441.db2.gz WZKVCYMJJFOQTI-FBQMEGEOSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834332 1378635550 /nfs/dbraw/zinc/63/55/50/1378635550.db2.gz QELJELYZMIFMQC-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCCCCC3)C[C@@H]2C1 ZINC001282958239 1378686183 /nfs/dbraw/zinc/68/61/83/1378686183.db2.gz MJHGDZUDLQSNRT-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C[C@@]2(C)C1 ZINC001282993158 1378700798 /nfs/dbraw/zinc/70/07/98/1378700798.db2.gz VEBCPBFONXKJIZ-JYAXBFRTSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001283051583 1378717453 /nfs/dbraw/zinc/71/74/53/1378717453.db2.gz APVVFWDOQINUHS-MKXGPGLRSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001283186347 1378755728 /nfs/dbraw/zinc/75/57/28/1378755728.db2.gz OAOWAVXQDXCQGE-CVEARBPZSA-N 2 0 349.494 3.246 10 0 EGAERP CC[C@H](C(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001283331530 1378814097 /nfs/dbraw/zinc/81/40/97/1378814097.db2.gz BZBQZNOXHUAPDZ-GOSISDBHSA-N 2 0 339.568 3.466 10 0 EGAERP C[C@@H](CN(C)C(=O)c1ccccc1CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001283650451 1379080723 /nfs/dbraw/zinc/08/07/23/1379080723.db2.gz VYNFJPPNTRPPNN-KRWDZBQOSA-N 2 0 347.547 3.277 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCCCF)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001283939498 1379289002 /nfs/dbraw/zinc/28/90/02/1379289002.db2.gz MNJPWPXQSDJKSD-APWZRJJASA-N 2 0 349.494 3.081 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1Cc1ccsc1 ZINC001284154785 1379550648 /nfs/dbraw/zinc/55/06/48/1379550648.db2.gz QQGJIHWBWSOQBQ-WMZOPIPTSA-N 2 0 349.544 3.093 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001284331880 1379727624 /nfs/dbraw/zinc/72/76/24/1379727624.db2.gz LCGZSXPBRBDSFX-JNVNVXKGSA-N 2 0 349.563 3.432 10 0 EGAERP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001284350347 1379749114 /nfs/dbraw/zinc/74/91/14/1379749114.db2.gz UWICACLGHHNOHZ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001284543994 1379950376 /nfs/dbraw/zinc/95/03/76/1379950376.db2.gz CKGCBAHUPLWHKM-ROUUACIJSA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284589307 1379990345 /nfs/dbraw/zinc/99/03/45/1379990345.db2.gz HRXFGWRHBKFRHM-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001284624498 1380025155 /nfs/dbraw/zinc/02/51/55/1380025155.db2.gz HARSDMSIBSKLRZ-SJLPKXTDSA-N 2 0 333.520 3.128 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001284624499 1380025272 /nfs/dbraw/zinc/02/52/72/1380025272.db2.gz HARSDMSIBSKLRZ-WMZOPIPTSA-N 2 0 333.520 3.128 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001284720397 1380139887 /nfs/dbraw/zinc/13/98/87/1380139887.db2.gz YKQNLTLHDGJGHD-IIMPKJCBSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001284720395 1380140056 /nfs/dbraw/zinc/14/00/56/1380140056.db2.gz YKQNLTLHDGJGHD-FYVKXAJJSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CCC([C@H](C)NC(=O)CC[NH+](C)C)CC2)c1 ZINC001284722685 1380142810 /nfs/dbraw/zinc/14/28/10/1380142810.db2.gz BJMLGNFWXGBDBX-ROUUACIJSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001284731941 1380151293 /nfs/dbraw/zinc/15/12/93/1380151293.db2.gz TUDRKUOQZOPDGI-XBMUEBEBSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(F)cc2)C1)[NH+](CC)CC ZINC001284790332 1380211994 /nfs/dbraw/zinc/21/19/94/1380211994.db2.gz SGOHUFKJCUAJGM-CTWPCTMYSA-N 2 0 349.494 3.025 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001284790301 1380212027 /nfs/dbraw/zinc/21/20/27/1380212027.db2.gz RFVZTSDLOYMCTR-ACBHZAAOSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CCC2CCCCC2)CC1 ZINC001284959704 1380329672 /nfs/dbraw/zinc/32/96/72/1380329672.db2.gz MKPFGJKQKAHBLV-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328084584 1388666691 /nfs/dbraw/zinc/66/66/91/1388666691.db2.gz YZTKTUSRXNWYPE-DVBCCOPCSA-N 2 0 349.563 3.434 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N[C@@H](CC(C)C)C[NH+](C)C)c1ccccc1 ZINC001158610109 1381318438 /nfs/dbraw/zinc/31/84/38/1381318438.db2.gz OBLNYBVKBJXCMX-OALUTQOASA-N 2 0 333.520 3.162 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001328281997 1388713366 /nfs/dbraw/zinc/71/33/66/1388713366.db2.gz FQTYLITYJMBIBR-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001328353973 1388728650 /nfs/dbraw/zinc/72/86/50/1388728650.db2.gz KNXNGZQXBMNXMS-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001328458677 1388750477 /nfs/dbraw/zinc/75/04/77/1388750477.db2.gz ILONKGYQNDBQQD-ZWKOTPCHSA-N 2 0 339.568 3.418 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)C(=O)/C=C\C1CCCCCC1 ZINC001292583118 1382204098 /nfs/dbraw/zinc/20/40/98/1382204098.db2.gz YIZUSAPWBXJDGR-CLEWGBKMSA-N 2 0 349.563 3.388 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)CC1 ZINC001328644162 1388796128 /nfs/dbraw/zinc/79/61/28/1388796128.db2.gz QOYZJQCJXXXGNX-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Fc1ccc(C[C@@H]2CN(c3cc[nH+]cc3C(F)(F)F)CC[NH2+]2)cc1 ZINC001164412226 1383185125 /nfs/dbraw/zinc/18/51/25/1383185125.db2.gz IKDIMVSJQUSEGY-CQSZACIVSA-N 2 0 339.336 3.260 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001328786459 1388862367 /nfs/dbraw/zinc/86/23/67/1388862367.db2.gz OXWCMCATKCYVGZ-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001328799793 1388869515 /nfs/dbraw/zinc/86/95/15/1388869515.db2.gz ZEUKHFJQCOWUBF-HXUWFJFHSA-N 2 0 345.531 3.087 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328805681 1388872152 /nfs/dbraw/zinc/87/21/52/1388872152.db2.gz GEXWYSOMYDJSIT-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP COc1ccc(COCC[N@@H+]2C[C@@]34C[NH+](C)C[C@]3(C2)CCCC4)cc1 ZINC001308169410 1384104558 /nfs/dbraw/zinc/10/45/58/1384104558.db2.gz BRNHVRUHHNUOCU-OYRHEFFESA-N 2 0 344.499 3.020 10 0 EGAERP CC[C@@H](C(=O)NC1CC(C[NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001328915674 1388901789 /nfs/dbraw/zinc/90/17/89/1388901789.db2.gz PICJCLBYATUCFA-UUKMXZOPSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001316624833 1384490278 /nfs/dbraw/zinc/49/02/78/1384490278.db2.gz OSXGSQMYLHITJZ-HCXYKTFWSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001316630344 1384494031 /nfs/dbraw/zinc/49/40/31/1384494031.db2.gz IZNYPQXEDMWUQN-UFYCRDLUSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCCCC[C@H]([NH2+]CCCF)C2)cc1 ZINC001316774923 1384573643 /nfs/dbraw/zinc/57/36/43/1384573643.db2.gz WDXKIMWUQJWDGO-IBGZPJMESA-N 2 0 349.494 3.082 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001316802403 1384591120 /nfs/dbraw/zinc/59/11/20/1384591120.db2.gz LQSATPWMNXSTPN-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C)[NH+](C)C ZINC001316806331 1384598193 /nfs/dbraw/zinc/59/81/93/1384598193.db2.gz FXSJAJHJLJAOCI-IRXDYDNUSA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)c1ccccc1C[N@H+](C)CCCNC(=O)C1CC[NH+](C)CC1 ZINC001316845596 1384633309 /nfs/dbraw/zinc/63/33/09/1384633309.db2.gz KYTVJBDVDUMVOS-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001316878365 1384663100 /nfs/dbraw/zinc/66/31/00/1384663100.db2.gz MDQTYGYGZRCPJT-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001316951676 1384726411 /nfs/dbraw/zinc/72/64/11/1384726411.db2.gz CHGJROAXTMUFRR-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP O=C(NC[C@H]([NH2+]CCC1CCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001317021041 1384786171 /nfs/dbraw/zinc/78/61/71/1384786171.db2.gz ZEGCCHCEZZCEEP-IBGZPJMESA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCC2CC2)C1 ZINC001317046145 1384821025 /nfs/dbraw/zinc/82/10/25/1384821025.db2.gz XMAPQDJFSZGCRB-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001317099919 1384863214 /nfs/dbraw/zinc/86/32/14/1384863214.db2.gz LEXYIKIXMDKYSI-OYQYDDJWSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001329057933 1388949179 /nfs/dbraw/zinc/94/91/79/1388949179.db2.gz XOTXAZVDYJKRFA-MSOLQXFVSA-N 2 0 345.531 3.079 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CC3CCC3)CC[C@H]21)CC(C)(C)C ZINC001317105977 1384869317 /nfs/dbraw/zinc/86/93/17/1384869317.db2.gz PKCRICVMHYECBB-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001317124124 1384882432 /nfs/dbraw/zinc/88/24/32/1384882432.db2.gz AGTDKVMOHJFTFM-KCUHQSDYSA-N 2 0 345.531 3.448 10 0 EGAERP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001317173831 1384943212 /nfs/dbraw/zinc/94/32/12/1384943212.db2.gz QQVNPDWHLVKYPI-CQQBRXBZSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C)CC(C)(C)C ZINC001317191341 1384965135 /nfs/dbraw/zinc/96/51/35/1384965135.db2.gz DLAJSOBUUYSKOK-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCC1 ZINC001317197470 1384971639 /nfs/dbraw/zinc/97/16/39/1384971639.db2.gz AROXPYNZZLBRGL-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001317209570 1384988234 /nfs/dbraw/zinc/98/82/34/1384988234.db2.gz SRCROMCFPRYWOY-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001317212652 1384992396 /nfs/dbraw/zinc/99/23/96/1384992396.db2.gz XPAZIJJNJBBANU-VPTLDBNLSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317320726 1385080053 /nfs/dbraw/zinc/08/00/53/1385080053.db2.gz BNKWJCVHRTUMDF-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317354058 1385101532 /nfs/dbraw/zinc/10/15/32/1385101532.db2.gz BRARVXGNZLOHSN-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001317362947 1385105305 /nfs/dbraw/zinc/10/53/05/1385105305.db2.gz IVGCJRYRFJQPRK-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001317401101 1385116130 /nfs/dbraw/zinc/11/61/30/1385116130.db2.gz OMGYORRLZICHCG-APWZRJJASA-N 2 0 343.515 3.033 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001317403925 1385117399 /nfs/dbraw/zinc/11/73/99/1385117399.db2.gz IBMOWRNXJSVJMT-QUCCMNQESA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001317409332 1385120715 /nfs/dbraw/zinc/12/07/15/1385120715.db2.gz UFTBIFCWTNHAAK-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001317425966 1385131830 /nfs/dbraw/zinc/13/18/30/1385131830.db2.gz CXVLSORSFSIJHG-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317431786 1385136064 /nfs/dbraw/zinc/13/60/64/1385136064.db2.gz NEBCGVMXCSCXFU-HXUWFJFHSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCC2CCCCC2)C1 ZINC001317434677 1385138239 /nfs/dbraw/zinc/13/82/39/1385138239.db2.gz MWFWDUVKQNCAHK-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001317437703 1385140254 /nfs/dbraw/zinc/14/02/54/1385140254.db2.gz WTNFMFVKDKGGAS-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCCC1 ZINC001317490332 1385189946 /nfs/dbraw/zinc/18/99/46/1385189946.db2.gz ZOPDZZLKELSRRS-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001317490612 1385190547 /nfs/dbraw/zinc/19/05/47/1385190547.db2.gz CLQWUYLFDJQQDA-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317502251 1385205032 /nfs/dbraw/zinc/20/50/32/1385205032.db2.gz IDCWIWMXFHNZLQ-HMECNJMJSA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317524101 1385244089 /nfs/dbraw/zinc/24/40/89/1385244089.db2.gz YCKMOLYLICWPAP-LXORQPIJSA-N 2 0 335.536 3.044 10 0 EGAERP O=C(NCC[N@H+](CCC1CCCCCC1)C1CC1)C12CC[NH+](CC1)C2 ZINC001317558349 1385331572 /nfs/dbraw/zinc/33/15/72/1385331572.db2.gz GPIRDMYMFXFPSG-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C(C)C ZINC001317686953 1385398309 /nfs/dbraw/zinc/39/83/09/1385398309.db2.gz VSFATRYGXBCYRS-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC001317721655 1385421933 /nfs/dbraw/zinc/42/19/33/1385421933.db2.gz IEYQCPFEIOHMLC-PMACEKPBSA-N 2 0 343.515 3.108 10 0 EGAERP CCCCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001317722046 1385422750 /nfs/dbraw/zinc/42/27/50/1385422750.db2.gz LXCXHRSWNGFITJ-MOPGFXCFSA-N 2 0 331.504 3.108 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317812280 1385512402 /nfs/dbraw/zinc/51/24/02/1385512402.db2.gz XDKUWPSMLSKUPQ-QZTJIDSGSA-N 2 0 345.531 3.236 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317861785 1385545880 /nfs/dbraw/zinc/54/58/80/1385545880.db2.gz DCMJCSKQTDOBRG-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317975595 1385595247 /nfs/dbraw/zinc/59/52/47/1385595247.db2.gz PGFQIVWDUYUCDB-SLVIYJBESA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001317984399 1385599240 /nfs/dbraw/zinc/59/92/40/1385599240.db2.gz AGHXKXUEBCENFR-HBFSDRIKSA-N 2 0 345.531 3.285 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001317994170 1385604647 /nfs/dbraw/zinc/60/46/47/1385604647.db2.gz LZPOTGRHLWQVFS-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001318411374 1385678428 /nfs/dbraw/zinc/67/84/28/1385678428.db2.gz CRFWNYLBXKNZOK-SFHVURJKSA-N 2 0 337.552 3.218 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001318664595 1385824810 /nfs/dbraw/zinc/82/48/10/1385824810.db2.gz QHAQZQBAWOAIJU-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686711 1385839842 /nfs/dbraw/zinc/83/98/42/1385839842.db2.gz REQATFQTIRVXKC-FPOVZHCZSA-N 2 0 347.547 3.234 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCC3CCCCC3)CC2)C1 ZINC001318930780 1385885711 /nfs/dbraw/zinc/88/57/11/1385885711.db2.gz HGTXQOJUEBOTKK-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001318984461 1385909434 /nfs/dbraw/zinc/90/94/34/1385909434.db2.gz VEMRWYYEKOQCRF-MKXGPGLRSA-N 2 0 337.552 3.170 10 0 EGAERP CCCCCC[NH+]1CCC(CCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001319021227 1385931298 /nfs/dbraw/zinc/93/12/98/1385931298.db2.gz VVSFRLJHJMFCEP-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001319376703 1386089390 /nfs/dbraw/zinc/08/93/90/1386089390.db2.gz AZJOKRCCNNYYBD-PLNGDYQASA-N 2 0 335.536 3.093 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001319541815 1386170826 /nfs/dbraw/zinc/17/08/26/1386170826.db2.gz WWEMOQBTJUWYJM-QUCCMNQESA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001319560131 1386178897 /nfs/dbraw/zinc/17/88/97/1386178897.db2.gz WARRQVWZLYIOGW-GOSISDBHSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319608052 1386207308 /nfs/dbraw/zinc/20/73/08/1386207308.db2.gz GOEJSGXUSWTVFO-MISYRCLQSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)c1noc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001319767361 1386287134 /nfs/dbraw/zinc/28/71/34/1386287134.db2.gz MIKFQPYQCCHTBT-WMZOPIPTSA-N 2 0 342.487 3.236 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775278 1386291432 /nfs/dbraw/zinc/29/14/32/1386291432.db2.gz SYUZWVCAEOMNBY-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001319788056 1386296510 /nfs/dbraw/zinc/29/65/10/1386296510.db2.gz KSCSJBMKQMDLGP-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001319868580 1386346964 /nfs/dbraw/zinc/34/69/64/1386346964.db2.gz LPIRQEFQGOKHCN-ICSRJNTNSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948586 1386411862 /nfs/dbraw/zinc/41/18/62/1386411862.db2.gz YGDFYKISAVFFMN-QZTJIDSGSA-N 2 0 339.568 3.416 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001320111571 1386519342 /nfs/dbraw/zinc/51/93/42/1386519342.db2.gz PLCOELYJAQGSRS-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCN(CC[NH2+]CC=C(C)C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001320735460 1386704817 /nfs/dbraw/zinc/70/48/17/1386704817.db2.gz YUYMAOQITGBCAA-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001698666381 1406316931 /nfs/dbraw/zinc/31/69/31/1406316931.db2.gz ZLALWOVQEHOLDL-UTKZUKDTSA-N 2 0 349.563 3.173 10 0 EGAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320929236 1386762142 /nfs/dbraw/zinc/76/21/42/1386762142.db2.gz RBDZILJDMAISCQ-YPNIWSFNSA-N 2 0 343.515 3.012 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001698670201 1406320137 /nfs/dbraw/zinc/32/01/37/1406320137.db2.gz AVGZNWAAOFYJDA-DXPXIUTNSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001322183257 1387093326 /nfs/dbraw/zinc/09/33/26/1387093326.db2.gz OIHLMIQNUMRUSU-OXQOHEQNSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001322281523 1387137987 /nfs/dbraw/zinc/13/79/87/1387137987.db2.gz PWAFHVDNHVBRAC-IEBWSBKVSA-N 2 0 345.531 3.088 10 0 EGAERP CCc1cccc(C[NH+](C)C[C@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001322307698 1387153038 /nfs/dbraw/zinc/15/30/38/1387153038.db2.gz RQXCRMIIDXJPCX-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322346621 1387165687 /nfs/dbraw/zinc/16/56/87/1387165687.db2.gz PFAIHLOMYWCXAT-OBNUAKFSSA-N 2 0 349.563 3.482 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001322359438 1387169741 /nfs/dbraw/zinc/16/97/41/1387169741.db2.gz JUTWIPRJFBXVPV-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001698701937 1406344446 /nfs/dbraw/zinc/34/44/46/1406344446.db2.gz WLMBSBJKMWNYLE-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001322693321 1387226214 /nfs/dbraw/zinc/22/62/14/1387226214.db2.gz FMNPANSWJPLKMA-UHFFFAOYSA-N 2 0 347.547 3.219 10 0 EGAERP CC(C)CCC[NH2+]CCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322694683 1387226754 /nfs/dbraw/zinc/22/67/54/1387226754.db2.gz SGULLWBAQFHLTC-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001322852218 1387246942 /nfs/dbraw/zinc/24/69/42/1387246942.db2.gz KJBREOKNQHGAHV-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698709664 1406350998 /nfs/dbraw/zinc/35/09/98/1406350998.db2.gz LFDGJGIVMRZKIM-PXYFQHJDSA-N 2 0 335.536 3.234 10 0 EGAERP CC[N@@H+](Cc1ccnc(F)c1)CC1CCN(c2ccccn2)CC1 ZINC001329225935 1389027436 /nfs/dbraw/zinc/02/74/36/1389027436.db2.gz WNKPRFUBQRKBJO-UHFFFAOYSA-N 2 0 328.435 3.354 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001698710199 1406351990 /nfs/dbraw/zinc/35/19/90/1406351990.db2.gz UJHLWIJOFLZDNI-KWCQTOMTSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001329243203 1389033881 /nfs/dbraw/zinc/03/38/81/1389033881.db2.gz JRCUKDTVEBNZSJ-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC1 ZINC001329256644 1389038203 /nfs/dbraw/zinc/03/82/03/1389038203.db2.gz IZJGAKMZOSFWSY-UHFFFAOYSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001698712496 1406354784 /nfs/dbraw/zinc/35/47/84/1406354784.db2.gz WEFGXCFAXZZNTA-FHWLQOOXSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)CC[NH+](C)C)[NH2+][C@H]1CCc2ccccc21 ZINC001329750321 1389218614 /nfs/dbraw/zinc/21/86/14/1389218614.db2.gz OFDOVPCNGPNFMP-PMACEKPBSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H]1CCc2ccccc21 ZINC001329750325 1389218630 /nfs/dbraw/zinc/21/86/30/1389218630.db2.gz OFDOVPCNGPNFMP-VQTJNVASSA-N 2 0 345.531 3.088 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329886647 1389245857 /nfs/dbraw/zinc/24/58/57/1389245857.db2.gz FMDAJATZWCKSHT-OALUTQOASA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698722925 1406370268 /nfs/dbraw/zinc/37/02/68/1406370268.db2.gz MBGAJRZHZHELPL-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCC(C)(C)C)CC1(C)C)CC(C)(C)C ZINC001330230359 1389352760 /nfs/dbraw/zinc/35/27/60/1389352760.db2.gz OFRKYGARVDXITB-MRXNPFEDSA-N 2 0 339.568 3.227 10 0 EGAERP CC[C@@H](C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330242414 1389358992 /nfs/dbraw/zinc/35/89/92/1389358992.db2.gz BOGVPYDMHOTVDU-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2cccc(F)c2)CC1(C)C ZINC001330245395 1389364114 /nfs/dbraw/zinc/36/41/14/1389364114.db2.gz RSZYRCNGHIMYPA-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001698725846 1406375726 /nfs/dbraw/zinc/37/57/26/1406375726.db2.gz PKYVKDIJMLREIW-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1)[NH+](CC)CC ZINC001330527758 1389444421 /nfs/dbraw/zinc/44/44/21/1389444421.db2.gz CSWUVBITAFPKCL-NRSPTQNISA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001330644027 1389480652 /nfs/dbraw/zinc/48/06/52/1389480652.db2.gz NTPBPNGQJNMVOO-QWFCFKBJSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001331470861 1389761952 /nfs/dbraw/zinc/76/19/52/1389761952.db2.gz SYYMCRHNSVSWMH-SFHVURJKSA-N 2 0 345.531 3.033 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644641 1389843477 /nfs/dbraw/zinc/84/34/77/1389843477.db2.gz PYTJYIITYUROLQ-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332014281 1389945976 /nfs/dbraw/zinc/94/59/76/1389945976.db2.gz JRGQQCNQKDIWCU-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001332031171 1389952669 /nfs/dbraw/zinc/95/26/69/1389952669.db2.gz JNOZCUHVMONLFE-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001332263955 1390068927 /nfs/dbraw/zinc/06/89/27/1390068927.db2.gz WAJXPZUVFKZQDL-QZTJIDSGSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001332386362 1390102450 /nfs/dbraw/zinc/10/24/50/1390102450.db2.gz DVYBASISZOGUQE-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389254 1390103695 /nfs/dbraw/zinc/10/36/95/1390103695.db2.gz XRLLEWKEIHQDKW-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1)[NH+]1CCCC1 ZINC001332405575 1390107866 /nfs/dbraw/zinc/10/78/66/1390107866.db2.gz ULCKTHIWPIQNBX-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001332442298 1390119483 /nfs/dbraw/zinc/11/94/83/1390119483.db2.gz IJGAIFAJWXPUNC-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798115 1406469164 /nfs/dbraw/zinc/46/91/64/1406469164.db2.gz KWFWOQFJZXAODF-HMECNJMJSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1c(C(=O)NCC2([NH2+]CC[C@@H](C)F)CCCC2)ccc2c[nH+]cn21 ZINC001698798033 1406469447 /nfs/dbraw/zinc/46/94/47/1406469447.db2.gz OVSSJAVUSYCHAR-CQSZACIVSA-N 2 0 346.450 3.023 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001698798489 1406470439 /nfs/dbraw/zinc/47/04/39/1406470439.db2.gz XTSZQUPCBKAZPF-YQHFQFMOSA-N 2 0 347.547 3.378 10 0 EGAERP C[C@@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)n1ccnc1 ZINC001352019296 1391745754 /nfs/dbraw/zinc/74/57/54/1391745754.db2.gz CUVKWXQRZYKNIG-PKOBYXMFSA-N 2 0 340.471 3.005 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001479501841 1392258666 /nfs/dbraw/zinc/25/86/66/1392258666.db2.gz FKZLLADBUGLDFP-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001479557139 1392274924 /nfs/dbraw/zinc/27/49/24/1392274924.db2.gz IXBXYVIYZSSMPE-ZRAQOITDSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001479637190 1392300175 /nfs/dbraw/zinc/30/01/75/1392300175.db2.gz LLPRCEAXRQUWEO-RBUKOAKNSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001479688643 1392320769 /nfs/dbraw/zinc/32/07/69/1392320769.db2.gz TVDFLRSDHHPRBV-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479744497 1392359008 /nfs/dbraw/zinc/35/90/08/1392359008.db2.gz DJZGLQQFKFSKGI-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@H](C)c2cccc(F)c2)CC[N@@H+]1C ZINC001479771851 1392379705 /nfs/dbraw/zinc/37/97/05/1392379705.db2.gz SQKSFPHJBYVJBR-AYOQOUSVSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001479778120 1392383026 /nfs/dbraw/zinc/38/30/26/1392383026.db2.gz MMGHVOZGLKUGDH-LJQANCHMSA-N 2 0 347.547 3.262 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479830765 1392417294 /nfs/dbraw/zinc/41/72/94/1392417294.db2.gz RDIZDUKPCDODFW-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001479845064 1392427359 /nfs/dbraw/zinc/42/73/59/1392427359.db2.gz NLMKLQNWQMUTCY-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001479907341 1392474358 /nfs/dbraw/zinc/47/43/58/1392474358.db2.gz VDAWEGJSOWFVPM-LJQANCHMSA-N 2 0 345.531 3.175 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001698859504 1406569173 /nfs/dbraw/zinc/56/91/73/1406569173.db2.gz CKWGLJBIYWGKGR-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965719 1392501465 /nfs/dbraw/zinc/50/14/65/1392501465.db2.gz LHZCFICKTBNKKI-WMZOPIPTSA-N 2 0 346.519 3.139 10 0 EGAERP CCCC[NH+]1CCC(N(CCC)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001479996605 1392529017 /nfs/dbraw/zinc/52/90/17/1392529017.db2.gz OJBXEKMAOUWYQK-HDICACEKSA-N 2 0 337.552 3.362 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480077744 1392567551 /nfs/dbraw/zinc/56/75/51/1392567551.db2.gz PCHYNEQOGSWGJZ-RZZOZFHJSA-N 2 0 349.563 3.243 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001480083211 1392573463 /nfs/dbraw/zinc/57/34/63/1392573463.db2.gz AJKWNYLSRGATBY-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480122097 1392594548 /nfs/dbraw/zinc/59/45/48/1392594548.db2.gz MAJOZBQRYBOEON-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001480266901 1392651254 /nfs/dbraw/zinc/65/12/54/1392651254.db2.gz AYQQTLPLAUVBNE-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295918 1392664008 /nfs/dbraw/zinc/66/40/08/1392664008.db2.gz MMLMJOSSWWVXFH-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480304896 1392668189 /nfs/dbraw/zinc/66/81/89/1392668189.db2.gz NLENZPDDMWKUPB-MOPGFXCFSA-N 2 0 337.552 3.127 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001480315548 1392676425 /nfs/dbraw/zinc/67/64/25/1392676425.db2.gz IBISVCULBOOQJK-GBESFXJTSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001480317339 1392677386 /nfs/dbraw/zinc/67/73/86/1392677386.db2.gz BSWBQJSWOJDMFM-WWAPKCSDSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001480361656 1392706238 /nfs/dbraw/zinc/70/62/38/1392706238.db2.gz SEMPUKDXLLLVQG-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001480412502 1392747500 /nfs/dbraw/zinc/74/75/00/1392747500.db2.gz IYBPZDMRMQZXHF-LMDPOFIKSA-N 2 0 345.531 3.413 10 0 EGAERP CC[C@@H]([NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001480515598 1392775879 /nfs/dbraw/zinc/77/58/79/1392775879.db2.gz HYEIKILPWDNBRE-CRAIPNDOSA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480703109 1392866445 /nfs/dbraw/zinc/86/64/45/1392866445.db2.gz WDMCWUHYEQNZKU-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480723784 1392885078 /nfs/dbraw/zinc/88/50/78/1392885078.db2.gz DKKHSSCHBZMZOF-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480736451 1392902051 /nfs/dbraw/zinc/90/20/51/1392902051.db2.gz FMICNVXCRHNFKI-RTBURBONSA-N 2 0 335.536 3.140 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480742602 1392908259 /nfs/dbraw/zinc/90/82/59/1392908259.db2.gz OIMFPZUTFYFFHA-MOPGFXCFSA-N 2 0 345.531 3.319 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC1CCCCCC1)[NH+]1CCCC1 ZINC001480951443 1393042787 /nfs/dbraw/zinc/04/27/87/1393042787.db2.gz BCRGDAKHIQXRLN-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1C ZINC001480980072 1393063543 /nfs/dbraw/zinc/06/35/43/1393063543.db2.gz IHQOIJVKWVRBLG-OALUTQOASA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+]1CCCCC1 ZINC001481039276 1393103674 /nfs/dbraw/zinc/10/36/74/1393103674.db2.gz LBRWQDIUSNGXOQ-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001481338792 1393167197 /nfs/dbraw/zinc/16/71/97/1393167197.db2.gz DGOMVKYZFYPQHP-UYAOXDASSA-N 2 0 349.563 3.432 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001698882759 1406613905 /nfs/dbraw/zinc/61/39/05/1406613905.db2.gz IOVBZDFVUCCBOC-LJQANCHMSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCC1 ZINC001698885194 1406618751 /nfs/dbraw/zinc/61/87/51/1406618751.db2.gz JLQMOVLVJXRPPU-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001481365647 1394204407 /nfs/dbraw/zinc/20/44/07/1394204407.db2.gz RAGCAYQTPLEBIE-WOJBJXKFSA-N 2 0 345.531 3.210 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC2CCC2)CC1 ZINC001490615724 1394283959 /nfs/dbraw/zinc/28/39/59/1394283959.db2.gz AJICHWIHMYFAGD-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001698951810 1406693204 /nfs/dbraw/zinc/69/32/04/1406693204.db2.gz JXWWVJLRGXUCDW-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491081161 1394421780 /nfs/dbraw/zinc/42/17/80/1394421780.db2.gz YLVTZLFEAMPOCU-AHRSYUTCSA-N 2 0 345.531 3.281 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001491112297 1394433132 /nfs/dbraw/zinc/43/31/32/1394433132.db2.gz VXHWHSYISGCPRV-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)[NH+](CC)CC ZINC001481678675 1394444537 /nfs/dbraw/zinc/44/45/37/1394444537.db2.gz VVGPKGMRDHCWSM-UFYCRDLUSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001491156136 1394453304 /nfs/dbraw/zinc/45/33/04/1394453304.db2.gz IQFPAQBYRRTJRU-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001491156138 1394453382 /nfs/dbraw/zinc/45/33/82/1394453382.db2.gz IQFPAQBYRRTJRU-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709918 1394468791 /nfs/dbraw/zinc/46/87/91/1394468791.db2.gz XMZZIQCQZPBNLP-PWBPZBFBSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740939 1394487259 /nfs/dbraw/zinc/48/72/59/1394487259.db2.gz GMVKTAWYCPJUBQ-WOJBJXKFSA-N 2 0 345.531 3.148 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481768851 1394512005 /nfs/dbraw/zinc/51/20/05/1394512005.db2.gz SPTBOFGKLKOFSE-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481782397 1394527117 /nfs/dbraw/zinc/52/71/17/1394527117.db2.gz PICLYKXMVYEXAJ-VOFKWLDRSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854081 1394560340 /nfs/dbraw/zinc/56/03/40/1394560340.db2.gz ASFCBURWKASUDQ-UXHICEINSA-N 2 0 345.531 3.242 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001481981582 1394643197 /nfs/dbraw/zinc/64/31/97/1394643197.db2.gz SWRQXRSLSKRQPD-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001482068597 1394730302 /nfs/dbraw/zinc/73/03/02/1394730302.db2.gz SWPCCXOUMRGEJI-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001482155164 1394774017 /nfs/dbraw/zinc/77/40/17/1394774017.db2.gz CVGWAFFCLPRVBJ-KRWDZBQOSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482323441 1394894290 /nfs/dbraw/zinc/89/42/90/1394894290.db2.gz JQMGFMQJUJNIHH-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482323444 1394894870 /nfs/dbraw/zinc/89/48/70/1394894870.db2.gz JQMGFMQJUJNIHH-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)CC(C)C ZINC001482399999 1394960648 /nfs/dbraw/zinc/96/06/48/1394960648.db2.gz DIRRQUDFFHYXBC-MSOLQXFVSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482411774 1394976716 /nfs/dbraw/zinc/97/67/16/1394976716.db2.gz AMSIZANPMGTMFD-LJQANCHMSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001482427874 1394987795 /nfs/dbraw/zinc/98/77/95/1394987795.db2.gz DRTYPBAJSFFBGO-FXAWDEMLSA-N 2 0 345.531 3.088 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482455950 1395014221 /nfs/dbraw/zinc/01/42/21/1395014221.db2.gz NTTORRPUBYOFSN-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001482455961 1395014628 /nfs/dbraw/zinc/01/46/28/1395014628.db2.gz ODWCFCWTXRMUJN-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482471192 1395026012 /nfs/dbraw/zinc/02/60/12/1395026012.db2.gz IUINCRMXSFJXSP-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482495257 1395047631 /nfs/dbraw/zinc/04/76/31/1395047631.db2.gz NJLTUVRYBMPZLA-XLIONFOSSA-N 2 0 345.531 3.031 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)c(C)c1 ZINC001482547907 1395083475 /nfs/dbraw/zinc/08/34/75/1395083475.db2.gz OMQSTVVCENKCIV-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954494 1395098335 /nfs/dbraw/zinc/09/83/35/1395098335.db2.gz GNRWKVWSRPZELA-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001483915542 1395143147 /nfs/dbraw/zinc/14/31/47/1395143147.db2.gz XPZCFGCKEIJHOR-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001483945833 1395156195 /nfs/dbraw/zinc/15/61/95/1395156195.db2.gz JCGBKEDHTYRCBX-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001483974805 1395170707 /nfs/dbraw/zinc/17/07/07/1395170707.db2.gz RLHIVVHAMKBABC-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484164488 1395299200 /nfs/dbraw/zinc/29/92/00/1395299200.db2.gz YBNHMWQXMPYNHI-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484172782 1395315435 /nfs/dbraw/zinc/31/54/35/1395315435.db2.gz ARTLAXBWBJBHAW-ICSRJNTNSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001484173174 1395317050 /nfs/dbraw/zinc/31/70/50/1395317050.db2.gz CLGKPGASBIQPJR-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001484559508 1395442607 /nfs/dbraw/zinc/44/26/07/1395442607.db2.gz SBITYBFFPJCBPZ-FFZOFVMBSA-N 2 0 345.531 3.484 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001484559509 1395442749 /nfs/dbraw/zinc/44/27/49/1395442749.db2.gz SBITYBFFPJCBPZ-LSTHTHJFSA-N 2 0 345.531 3.484 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484618161 1395452425 /nfs/dbraw/zinc/45/24/25/1395452425.db2.gz INMUCHAMORRDRR-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001484819653 1395553818 /nfs/dbraw/zinc/55/38/18/1395553818.db2.gz SWQPAHYDIFSHMB-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001484828298 1395566491 /nfs/dbraw/zinc/56/64/91/1395566491.db2.gz AHORZWICZDEFPN-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001485082418 1395652046 /nfs/dbraw/zinc/65/20/46/1395652046.db2.gz OLNOCEGMXRDUJZ-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485161186 1395676703 /nfs/dbraw/zinc/67/67/03/1395676703.db2.gz AUIZTCFYKFSXKK-MSOLQXFVSA-N 2 0 347.547 3.236 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179718 1395688792 /nfs/dbraw/zinc/68/87/92/1395688792.db2.gz JANXRDBUDCWCBV-MSOLQXFVSA-N 2 0 345.531 3.161 10 0 EGAERP CCc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001485735384 1396122715 /nfs/dbraw/zinc/12/27/15/1396122715.db2.gz GJXKIVCUQJLMFW-XLIONFOSSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001485736384 1396123472 /nfs/dbraw/zinc/12/34/72/1396123472.db2.gz OYFNKEGPVROCKD-JKSUJKDBSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCCC(C)(C)C ZINC001485788246 1396154046 /nfs/dbraw/zinc/15/40/46/1396154046.db2.gz PIPWMLJJMBDJOL-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001485871710 1396160577 /nfs/dbraw/zinc/16/05/77/1396160577.db2.gz DCEMFKXNYPYQJL-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930737 1396170312 /nfs/dbraw/zinc/17/03/12/1396170312.db2.gz XQQSKQAIUYWFKK-AEFFLSMTSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485944987 1396171916 /nfs/dbraw/zinc/17/19/16/1396171916.db2.gz SDQXYNVJYWNSLM-QZTJIDSGSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001486249706 1396189367 /nfs/dbraw/zinc/18/93/67/1396189367.db2.gz JZXHTRDDACXAQH-HKUYNNGSSA-N 2 0 345.531 3.223 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001502519525 1396200403 /nfs/dbraw/zinc/20/04/03/1396200403.db2.gz MFJZRYJPWNKADV-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001502714630 1396218953 /nfs/dbraw/zinc/21/89/53/1396218953.db2.gz BREZIMCFRMHKBW-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699001359 1406811968 /nfs/dbraw/zinc/81/19/68/1406811968.db2.gz RPRJJYDZXGHZKU-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001492167511 1396311576 /nfs/dbraw/zinc/31/15/76/1396311576.db2.gz TVFQAZAHJJGKEQ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001494876183 1396504735 /nfs/dbraw/zinc/50/47/35/1396504735.db2.gz NNBLDTFGVRIZBS-UXHICEINSA-N 2 0 345.531 3.258 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]CCC2CC2)CC1 ZINC001495458098 1396535860 /nfs/dbraw/zinc/53/58/60/1396535860.db2.gz NTPOUYWITSIPRH-IYARVYRRSA-N 2 0 349.563 3.457 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001495814117 1396561369 /nfs/dbraw/zinc/56/13/69/1396561369.db2.gz OGDUEQXGGGSIDZ-IEBWSBKVSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001495947092 1396573537 /nfs/dbraw/zinc/57/35/37/1396573537.db2.gz DCTUDSYZLLGVLW-ROUUACIJSA-N 2 0 335.536 3.212 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001495963814 1396580435 /nfs/dbraw/zinc/58/04/35/1396580435.db2.gz RUCMGWNINIYPDG-UHFFFAOYSA-N 2 0 343.515 3.347 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CCCCC2)C1 ZINC001496326986 1396651676 /nfs/dbraw/zinc/65/16/76/1396651676.db2.gz RHXIQPBUTMPRIR-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001496417558 1396701028 /nfs/dbraw/zinc/70/10/28/1396701028.db2.gz AIYLTJRLLOOWSK-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001496417741 1396701041 /nfs/dbraw/zinc/70/10/41/1396701041.db2.gz UMFMLYCAUFJFRR-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001496490952 1396708955 /nfs/dbraw/zinc/70/89/55/1396708955.db2.gz KHRJWCYLDAASEK-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585870 1396770567 /nfs/dbraw/zinc/77/05/67/1396770567.db2.gz NOKSHUMYPOVXJX-NYZDRWPISA-N 2 0 349.906 3.003 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1 ZINC001497762177 1396831896 /nfs/dbraw/zinc/83/18/96/1396831896.db2.gz GATZGGZSRMBZHC-GVKUHWBJSA-N 2 0 347.547 3.092 10 0 EGAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001689101486 1396909596 /nfs/dbraw/zinc/90/95/96/1396909596.db2.gz JPFZOTSXCZFYJV-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001498132816 1396924436 /nfs/dbraw/zinc/92/44/36/1396924436.db2.gz ROCUAJWHDJAGET-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CC1CCCCCC1 ZINC001689197993 1396968459 /nfs/dbraw/zinc/96/84/59/1396968459.db2.gz LGQZNLUJHSBCQT-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001689270758 1397003604 /nfs/dbraw/zinc/00/36/04/1397003604.db2.gz VREOZIHOHFVKNJ-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001689271876 1397006586 /nfs/dbraw/zinc/00/65/86/1397006586.db2.gz SJBGJHPKTYBHSE-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490019 1397034456 /nfs/dbraw/zinc/03/44/56/1397034456.db2.gz XFXWRWDAYSJWCI-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689352822 1403684623 /nfs/dbraw/zinc/68/46/23/1403684623.db2.gz SGVZHYDWZPPIRG-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1cccc(C)c1 ZINC001689970689 1404234994 /nfs/dbraw/zinc/23/49/94/1404234994.db2.gz YDOQOUYFCGJHMQ-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001690030179 1404268892 /nfs/dbraw/zinc/26/88/92/1404268892.db2.gz URKNKJJEBZKXFY-PKOBYXMFSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+][C@@H]2CCCc3ccccc32)C1 ZINC001690296478 1404456589 /nfs/dbraw/zinc/45/65/89/1404456589.db2.gz VEOIJGSMQOOYIL-QWFCFKBJSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690317491 1404473158 /nfs/dbraw/zinc/47/31/58/1404473158.db2.gz HGIZMVZFLWVLBY-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC001690355682 1404490311 /nfs/dbraw/zinc/49/03/11/1404490311.db2.gz ITTVXNHFHLUTEC-LZQZEXGQSA-N 2 0 345.531 3.234 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001690363618 1404496837 /nfs/dbraw/zinc/49/68/37/1404496837.db2.gz WGWGTFSQSCCMBC-KDURUIRLSA-N 2 0 345.531 3.081 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690394216 1404537297 /nfs/dbraw/zinc/53/72/97/1404537297.db2.gz VGOFCPXFGGFVHA-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001690487386 1404601631 /nfs/dbraw/zinc/60/16/31/1404601631.db2.gz RHRWYMATMQTWBG-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001690487437 1404601968 /nfs/dbraw/zinc/60/19/68/1404601968.db2.gz UABJWRKBIURDSA-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001690650712 1404682213 /nfs/dbraw/zinc/68/22/13/1404682213.db2.gz PZSMVIGUYBYGJS-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690787411 1404733744 /nfs/dbraw/zinc/73/37/44/1404733744.db2.gz IIUARCJKCPNJPT-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690790574 1404736732 /nfs/dbraw/zinc/73/67/32/1404736732.db2.gz OPSGODYSNBWQSX-RBUKOAKNSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725407765 1426052399 /nfs/dbraw/zinc/05/23/99/1426052399.db2.gz RNHKDBBAKGCYQO-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1)[NH+]1CCCCCC1 ZINC001725407767 1426052447 /nfs/dbraw/zinc/05/24/47/1426052447.db2.gz RNHKDBBAKGCYQO-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732001738 1428212258 /nfs/dbraw/zinc/21/22/58/1428212258.db2.gz XVWQJUIGLNHCSN-QGZVFWFLSA-N 2 0 337.552 3.147 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691061478 1404985549 /nfs/dbraw/zinc/98/55/49/1404985549.db2.gz GTCLSCVOMMMNMA-KAGICYHLSA-N 2 0 335.536 3.138 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CC1CCC2(CC2)CC1)C1CCC1 ZINC001691082970 1405017801 /nfs/dbraw/zinc/01/78/01/1405017801.db2.gz PHBCWFPHYFUIJB-LJQANCHMSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001725631467 1426299207 /nfs/dbraw/zinc/29/92/07/1426299207.db2.gz NZEQVXACTSBBGF-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691147857 1405081417 /nfs/dbraw/zinc/08/14/17/1405081417.db2.gz HAIXCYMNFZWXOX-QGZVFWFLSA-N 2 0 342.487 3.275 10 0 EGAERP CC(C)(C(=O)NCC[N@H+](CC1CCCCCC1)C1CC1)[NH+]1CCCC1 ZINC001691219616 1405160030 /nfs/dbraw/zinc/16/00/30/1405160030.db2.gz MJHQVTMCNFFKGU-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001725741257 1426417276 /nfs/dbraw/zinc/41/72/76/1426417276.db2.gz AFQFQGFDTCGKTJ-KRWDZBQOSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001691382541 1405221104 /nfs/dbraw/zinc/22/11/04/1405221104.db2.gz YDXFUPXHNPBLFW-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CCC[NH2+]CCC1CC1 ZINC001691407323 1405244975 /nfs/dbraw/zinc/24/49/75/1405244975.db2.gz GBGBXIHZWDKABR-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001691428510 1405262059 /nfs/dbraw/zinc/26/20/59/1405262059.db2.gz NZEKZRPJZBQIIL-MNFUMMEQSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691541019 1405331092 /nfs/dbraw/zinc/33/10/92/1405331092.db2.gz LEKBHSHXSMLLPA-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CC3CCCCC3)CC[C@@H]2C1 ZINC001691578871 1405344968 /nfs/dbraw/zinc/34/49/68/1405344968.db2.gz OLRYAAXKGYFKCG-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001691620752 1405361319 /nfs/dbraw/zinc/36/13/19/1405361319.db2.gz KPPYXLDFNWVGQW-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691621818 1405362558 /nfs/dbraw/zinc/36/25/58/1405362558.db2.gz ZIBXLWQPDCPFLR-FMEUAVTJSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691626038 1405364392 /nfs/dbraw/zinc/36/43/92/1405364392.db2.gz SMHXJPSVBLFWFI-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001691680728 1405415562 /nfs/dbraw/zinc/41/55/62/1405415562.db2.gz FIBRDDITBUARKG-ZWKOTPCHSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691680004 1405415755 /nfs/dbraw/zinc/41/57/55/1405415755.db2.gz ZUBINLSAZOZKHU-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001691683590 1405418991 /nfs/dbraw/zinc/41/89/91/1405418991.db2.gz VCERCCPURJLFTF-KRWDZBQOSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1c(C(=O)N2CCCC[C@H]2C[N@@H+](C)CC(C)C)ccc2c[nH+]cn21 ZINC001691787601 1405497244 /nfs/dbraw/zinc/49/72/44/1405497244.db2.gz PQAJLFGJXHDHKE-SFHVURJKSA-N 2 0 342.487 3.225 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001691790575 1405500251 /nfs/dbraw/zinc/50/02/51/1405500251.db2.gz RLEZQNIUERUSFR-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](CC)CC)C2)CC1 ZINC001691960142 1405677605 /nfs/dbraw/zinc/67/76/05/1405677605.db2.gz LOVYWJVMEPBOEL-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001691965803 1405683342 /nfs/dbraw/zinc/68/33/42/1405683342.db2.gz UWJFTQJYGBPRLA-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001691979730 1405693344 /nfs/dbraw/zinc/69/33/44/1405693344.db2.gz RRIZWMJOJUJFMW-VQTJNVASSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001692074252 1405760825 /nfs/dbraw/zinc/76/08/25/1405760825.db2.gz HXCQQWOCPYZZTG-QRVBRYPASA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001692116934 1405780312 /nfs/dbraw/zinc/78/03/12/1405780312.db2.gz KLRJFVVCAXXTAC-AQNXPRMDSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001692257698 1405884830 /nfs/dbraw/zinc/88/48/30/1405884830.db2.gz NRTSHZHJCKNSFK-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001692257962 1405887080 /nfs/dbraw/zinc/88/70/80/1405887080.db2.gz YESSTEPMNANTJA-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)Cc1ccccc1 ZINC001692260890 1405890834 /nfs/dbraw/zinc/89/08/34/1405890834.db2.gz VYOVWBSWGWZQFU-FQEVSTJZSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001692263186 1405893291 /nfs/dbraw/zinc/89/32/91/1405893291.db2.gz BKQSUDXMRHROGN-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692263220 1405893704 /nfs/dbraw/zinc/89/37/04/1405893704.db2.gz CJZBIVJQJLCAJG-FQEVSTJZSA-N 2 0 345.531 3.475 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)[NH+](C)C ZINC001692275199 1405905845 /nfs/dbraw/zinc/90/58/45/1405905845.db2.gz BZNVSQOBVQWMBZ-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692322781 1405941410 /nfs/dbraw/zinc/94/14/10/1405941410.db2.gz SNKVAKGYMPIKPA-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001692334407 1405954312 /nfs/dbraw/zinc/95/43/12/1405954312.db2.gz USNQWNNICFOXRH-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP Cc1ccccc1C[N@@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001732012424 1428226817 /nfs/dbraw/zinc/22/68/17/1428226817.db2.gz LSRCLPFGIIAIBJ-SFHVURJKSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)CCC1CCCCC1 ZINC001732015255 1428229853 /nfs/dbraw/zinc/22/98/53/1428229853.db2.gz LJUHQMXROILXTO-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001698573187 1406179570 /nfs/dbraw/zinc/17/95/70/1406179570.db2.gz LAYQHYWDDZPUET-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP C[NH+]1CCC(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC1 ZINC001732023011 1428240595 /nfs/dbraw/zinc/24/05/95/1428240595.db2.gz RUNACPQGXCMKRU-IBGZPJMESA-N 2 0 345.531 3.212 10 0 EGAERP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001732030673 1428248580 /nfs/dbraw/zinc/24/85/80/1428248580.db2.gz UMKRNWVJXDMGSD-CEXWTWQISA-N 2 0 349.563 3.218 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001732058250 1428303140 /nfs/dbraw/zinc/30/31/40/1428303140.db2.gz BJRPHLCNWZWQNV-PMACEKPBSA-N 2 0 347.547 3.047 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732073106 1428322641 /nfs/dbraw/zinc/32/26/41/1428322641.db2.gz ODEFXMRIKYLHFV-KDWHXURISA-N 2 0 349.563 3.243 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732073474 1428323410 /nfs/dbraw/zinc/32/34/10/1428323410.db2.gz RDBIKNXSIHAIBB-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001732087967 1428350003 /nfs/dbraw/zinc/35/00/03/1428350003.db2.gz YUZHDOXHMFVMON-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732149958 1428393433 /nfs/dbraw/zinc/39/34/33/1428393433.db2.gz QNZRKUMWQCPWLQ-ZOYAEOFMSA-N 2 0 347.547 3.282 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732166549 1428409139 /nfs/dbraw/zinc/40/91/39/1428409139.db2.gz ZWHQXZZBTGRZOQ-SJORKVTESA-N 2 0 343.531 3.025 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732174216 1428419384 /nfs/dbraw/zinc/41/93/84/1428419384.db2.gz ANOFSUVYSFBEJZ-PXPVJAHISA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001732206279 1428455696 /nfs/dbraw/zinc/45/56/96/1428455696.db2.gz SEVHQUBUFKUQLA-MOPGFXCFSA-N 2 0 345.531 3.497 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201899 1428452606 /nfs/dbraw/zinc/45/26/06/1428452606.db2.gz SCUJFXPVBICKMW-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001732223513 1428471927 /nfs/dbraw/zinc/47/19/27/1428471927.db2.gz UGWXFDFHRRPOSV-HXUWFJFHSA-N 2 0 341.499 3.164 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001732230887 1428477825 /nfs/dbraw/zinc/47/78/25/1428477825.db2.gz MGFLUYLSNZBFMR-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCC3)CC2)CCC1 ZINC001732309675 1428523557 /nfs/dbraw/zinc/52/35/57/1428523557.db2.gz APSXVWVGKCVUGW-IYARVYRRSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001732310055 1428523839 /nfs/dbraw/zinc/52/38/39/1428523839.db2.gz HLORFUFYZRZGJO-QWFCFKBJSA-N 2 0 347.547 3.377 10 0 EGAERP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001732310617 1428524031 /nfs/dbraw/zinc/52/40/31/1428524031.db2.gz UYFCBYSOFFLWCB-FHWLQOOXSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CC1=CCCCC1 ZINC001732343826 1428542363 /nfs/dbraw/zinc/54/23/63/1428542363.db2.gz RTQZJINOOPVIPF-QGZVFWFLSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732354821 1428546014 /nfs/dbraw/zinc/54/60/14/1428546014.db2.gz BHBVVKHWXLLPAQ-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCCC2CCCC2)CCCC1 ZINC001732398816 1428565312 /nfs/dbraw/zinc/56/53/12/1428565312.db2.gz INKDMVVOFAKIES-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001732400276 1428566248 /nfs/dbraw/zinc/56/62/48/1428566248.db2.gz YMVNKQRKCYKQQW-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001732402879 1428567598 /nfs/dbraw/zinc/56/75/98/1428567598.db2.gz PXTSIVBZDGZCNU-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001732424255 1428575557 /nfs/dbraw/zinc/57/55/57/1428575557.db2.gz DJHOYFZFDCTDEU-ROUUACIJSA-N 2 0 345.531 3.285 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001732533161 1428654012 /nfs/dbraw/zinc/65/40/12/1428654012.db2.gz RYVSBEVJLVJUAI-TZFVZSICSA-N 2 0 349.563 3.435 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001699127262 1412522841 /nfs/dbraw/zinc/52/28/41/1412522841.db2.gz VYURXJSEPOWESH-KRWDZBQOSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001699140585 1412531194 /nfs/dbraw/zinc/53/11/94/1412531194.db2.gz LUGBMXDIKDOFMT-DLBZAZTESA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1)[NH+](C)C ZINC001699153708 1412539626 /nfs/dbraw/zinc/53/96/26/1412539626.db2.gz RUBPQDARZLZPIW-SJLPKXTDSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001699257030 1412600748 /nfs/dbraw/zinc/60/07/48/1412600748.db2.gz JOIUIKAPBDIFAH-CNZFZVQHSA-N 2 0 343.515 3.274 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699258614 1412601880 /nfs/dbraw/zinc/60/18/80/1412601880.db2.gz JCYZKHAOTXZKFQ-GHOSXJJBSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001699314497 1412633345 /nfs/dbraw/zinc/63/33/45/1412633345.db2.gz NYFBFQUYRXOJSM-ZMBJWTFHSA-N 2 0 343.515 3.022 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001699387716 1412699616 /nfs/dbraw/zinc/69/96/16/1412699616.db2.gz FNYZEOLJHULUBK-IAGOWNOFSA-N 2 0 347.547 3.480 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405934 1412718395 /nfs/dbraw/zinc/71/83/95/1412718395.db2.gz MSGVWNOOAKHMDD-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001699451855 1412791981 /nfs/dbraw/zinc/79/19/81/1412791981.db2.gz AOVTWUPCLMMQMW-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486277 1412882192 /nfs/dbraw/zinc/88/21/92/1412882192.db2.gz GUEZKXCGUXBSBN-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001699488971 1412885615 /nfs/dbraw/zinc/88/56/15/1412885615.db2.gz UARYPUQKKHWVBI-UXHICEINSA-N 2 0 349.563 3.317 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001699694717 1413102880 /nfs/dbraw/zinc/10/28/80/1413102880.db2.gz HNACIQMZSBLUPH-IRFCIJBXSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1)[NH+](CC)CC ZINC001699759322 1413165202 /nfs/dbraw/zinc/16/52/02/1413165202.db2.gz UYWUCSXRBBCTMR-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001699766256 1413171184 /nfs/dbraw/zinc/17/11/84/1413171184.db2.gz CZYSLWFQLRSXEW-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001699769032 1413174978 /nfs/dbraw/zinc/17/49/78/1413174978.db2.gz ADGOBLMPFPUDED-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001699788537 1413194357 /nfs/dbraw/zinc/19/43/57/1413194357.db2.gz CFSLEPRXTITTNC-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP CC1(CNC(=O)CCCC[NH+]2CCCC2)CC[NH+](CC2CCC2)CC1 ZINC001699866619 1413305919 /nfs/dbraw/zinc/30/59/19/1413305919.db2.gz DPYJLSLQONFZHS-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2C)C1)[NH+](C)C ZINC001699868720 1413311667 /nfs/dbraw/zinc/31/16/67/1413311667.db2.gz OXVUFSBGOUTSFC-CTNGQTDRSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1CC ZINC001699935135 1413378021 /nfs/dbraw/zinc/37/80/21/1413378021.db2.gz YXVUJRZAMYNEHP-VQTJNVASSA-N 2 0 345.531 3.280 10 0 EGAERP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001699976295 1413418628 /nfs/dbraw/zinc/41/86/28/1413418628.db2.gz USMCEHGLEWHPOQ-SOXKVSCQSA-N 2 0 347.547 3.042 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001700017752 1413464074 /nfs/dbraw/zinc/46/40/74/1413464074.db2.gz SEADEUKDLOLEBM-YIYNPQHWSA-N 2 0 347.547 3.284 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001700019149 1413466001 /nfs/dbraw/zinc/46/60/01/1413466001.db2.gz DJRGSTLMLWXPAP-IPMKNSEASA-N 2 0 337.552 3.076 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700085915 1413497185 /nfs/dbraw/zinc/49/71/85/1413497185.db2.gz UCEGPVJXZKIRRD-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)CC1 ZINC001700100381 1413517651 /nfs/dbraw/zinc/51/76/51/1413517651.db2.gz RGXIUXXMGHPRQY-UFYCRDLUSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001700104432 1413522802 /nfs/dbraw/zinc/52/28/02/1413522802.db2.gz MZLPFXULVCPNKA-LWYYNNOASA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001700124962 1413540781 /nfs/dbraw/zinc/54/07/81/1413540781.db2.gz JSGDFNWEKXHOKD-CQQBRXBZSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH+](C)Cc2ccccc2C)CC[N@@H+]1C ZINC001700195765 1413635959 /nfs/dbraw/zinc/63/59/59/1413635959.db2.gz IIDSEZIKXWONLX-VQTJNVASSA-N 2 0 345.531 3.006 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C(C)C)[NH+](CC)CC ZINC001700226659 1413680928 /nfs/dbraw/zinc/68/09/28/1413680928.db2.gz KBGRWSBRPGBDRN-VQTJNVASSA-N 2 0 345.531 3.058 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001700231036 1413688625 /nfs/dbraw/zinc/68/86/25/1413688625.db2.gz XBCXYIHXXLGBID-NRFANRHFSA-N 2 0 349.563 3.367 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001700316914 1413776629 /nfs/dbraw/zinc/77/66/29/1413776629.db2.gz ACSOJYXRLRMRTA-HKUYNNGSSA-N 2 0 347.547 3.188 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700443991 1414018089 /nfs/dbraw/zinc/01/80/89/1414018089.db2.gz BRUBSSGLFUQBKK-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC1 ZINC001700499894 1414147066 /nfs/dbraw/zinc/14/70/66/1414147066.db2.gz MPHYIDCHCLQOQL-MOPGFXCFSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC1 ZINC001700499897 1414147345 /nfs/dbraw/zinc/14/73/45/1414147345.db2.gz MPHYIDCHCLQOQL-RTBURBONSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1c(C(=O)N(C)CC[C@@H]([NH2+]CCCF)C(C)C)ccc2c[nH+]cn21 ZINC001700502816 1414150606 /nfs/dbraw/zinc/15/06/06/1414150606.db2.gz ZAFFCPLCOLBXDQ-GOSISDBHSA-N 2 0 348.466 3.079 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCC3CCCCC3)CCCCC2)C1 ZINC001700520331 1414175229 /nfs/dbraw/zinc/17/52/29/1414175229.db2.gz CMTQNNHFRPKZTP-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001700522230 1414178343 /nfs/dbraw/zinc/17/83/43/1414178343.db2.gz YKZMIYMGJQBCGY-ROUUACIJSA-N 2 0 337.552 3.458 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCC2CCCC2)C1 ZINC001700530638 1414197050 /nfs/dbraw/zinc/19/70/50/1414197050.db2.gz GIZFPJYEJPWKBG-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001700537572 1414204817 /nfs/dbraw/zinc/20/48/17/1414204817.db2.gz FCXDOXYOTUYZOF-QGZVFWFLSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001700617876 1414285476 /nfs/dbraw/zinc/28/54/76/1414285476.db2.gz UZWVFWSUZZGHGS-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001700693367 1414346473 /nfs/dbraw/zinc/34/64/73/1414346473.db2.gz IASIWVPWBQNBIG-OALUTQOASA-N 2 0 349.563 3.362 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC([N@H+](C)CCC(C)(C)C)CC2)CC1 ZINC001700697304 1414355774 /nfs/dbraw/zinc/35/57/74/1414355774.db2.gz ZNVRVUSICOJZHU-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@H](C[NH2+]CC1CCC1)C1CC1 ZINC001700724260 1414385018 /nfs/dbraw/zinc/38/50/18/1414385018.db2.gz STCRFHGGNGGXQU-VQTJNVASSA-N 2 0 347.547 3.020 10 0 EGAERP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001700760155 1414432568 /nfs/dbraw/zinc/43/25/68/1414432568.db2.gz NRKLTJWRGNASDD-IEBWSBKVSA-N 2 0 345.531 3.449 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001700829022 1414483570 /nfs/dbraw/zinc/48/35/70/1414483570.db2.gz NMVGNTUVGPDGGR-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001700996105 1414644735 /nfs/dbraw/zinc/64/47/35/1414644735.db2.gz NCXKHRIJIBDUEO-ZGWZEZEDSA-N 2 0 343.943 3.122 10 0 EGAERP C[C@H](NC(=O)CCCC[NH+]1CCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001701013015 1414674281 /nfs/dbraw/zinc/67/42/81/1414674281.db2.gz STFKXTUCXAYIFC-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001701013583 1414675329 /nfs/dbraw/zinc/67/53/29/1414675329.db2.gz QHNURGWLSNSCPE-KRWDZBQOSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001701058935 1414715017 /nfs/dbraw/zinc/71/50/17/1414715017.db2.gz NHRHTAVZQTZEON-SBUVDCAVSA-N 2 0 347.547 3.211 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001732604235 1428857282 /nfs/dbraw/zinc/85/72/82/1428857282.db2.gz LZFYORCOJPTREU-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001732703851 1428917317 /nfs/dbraw/zinc/91/73/17/1428917317.db2.gz ZGWWVGVPOZADEU-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732689215 1428910758 /nfs/dbraw/zinc/91/07/58/1428910758.db2.gz DPIXCRPADUKYMD-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001732811378 1428989247 /nfs/dbraw/zinc/98/92/47/1428989247.db2.gz ASDVMJCBKANSAX-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1Cl ZINC001732863237 1429016275 /nfs/dbraw/zinc/01/62/75/1429016275.db2.gz QKSBTXMTGMCJGY-IYKSTZQJSA-N 2 0 349.906 3.147 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001732941931 1429066056 /nfs/dbraw/zinc/06/60/56/1429066056.db2.gz HYQISBWNJPONJP-LGYYHMKYSA-N 2 0 343.515 3.130 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001707088804 1417195387 /nfs/dbraw/zinc/19/53/87/1417195387.db2.gz MGCYRXYNKHCYIG-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]2CC)c1 ZINC001707206762 1417245405 /nfs/dbraw/zinc/24/54/05/1417245405.db2.gz VBERIKWGWVFKRQ-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001707232042 1417253756 /nfs/dbraw/zinc/25/37/56/1417253756.db2.gz BXJPMNVXQBQGEL-RTBURBONSA-N 2 0 339.568 3.371 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001707231867 1417254076 /nfs/dbraw/zinc/25/40/76/1417254076.db2.gz ASRGPINBZHXQRD-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CCC(C)(C)C ZINC001707276302 1417283512 /nfs/dbraw/zinc/28/35/12/1417283512.db2.gz MTRVGQAQBQTMNG-KRWDZBQOSA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001707421661 1417328865 /nfs/dbraw/zinc/32/88/65/1417328865.db2.gz HFTCVXFTWYJXRH-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001707453545 1417355723 /nfs/dbraw/zinc/35/57/23/1417355723.db2.gz YNKHILQZUCTWJK-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCC1 ZINC001707455481 1417358181 /nfs/dbraw/zinc/35/81/81/1417358181.db2.gz JICRCHGZGURAPK-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1CC(C)(C)C1 ZINC001707470934 1417371603 /nfs/dbraw/zinc/37/16/03/1417371603.db2.gz YOEULMJSKBROAA-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001713060608 1417616650 /nfs/dbraw/zinc/61/66/50/1417616650.db2.gz GSOGKVIAUJGVER-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713061480 1417617201 /nfs/dbraw/zinc/61/72/01/1417617201.db2.gz MRIYWRNTXWTHAY-QGZVFWFLSA-N 2 0 342.487 3.417 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](CC)CC ZINC001713086305 1417632422 /nfs/dbraw/zinc/63/24/22/1417632422.db2.gz IGINNLHDJVYPOL-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713094160 1417642493 /nfs/dbraw/zinc/64/24/93/1417642493.db2.gz DNXANYXDBCQLLY-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)(C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCCC1 ZINC001713110167 1417671493 /nfs/dbraw/zinc/67/14/93/1417671493.db2.gz ZRHHMDXLXSLPEZ-SFHVURJKSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713166285 1417740034 /nfs/dbraw/zinc/74/00/34/1417740034.db2.gz NWPXXFGMHKXWAT-UFYCRDLUSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1csc(C)c1)[NH+](C)C ZINC001713179522 1417752830 /nfs/dbraw/zinc/75/28/30/1417752830.db2.gz MKSPCGPNGWLQML-HQSKLWIPSA-N 2 0 349.544 3.008 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC001713182588 1417757114 /nfs/dbraw/zinc/75/71/14/1417757114.db2.gz OXJVLYINFAHGDC-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713221143 1417804631 /nfs/dbraw/zinc/80/46/31/1417804631.db2.gz ALDSWNGGHDYQOS-AZUAARDMSA-N 2 0 345.531 3.308 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001713264044 1417872229 /nfs/dbraw/zinc/87/22/29/1417872229.db2.gz VGIAFIFFDXVDLA-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001713275482 1417892972 /nfs/dbraw/zinc/89/29/72/1417892972.db2.gz JIDZQQYEUOILKS-HKUYNNGSSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279857 1417905557 /nfs/dbraw/zinc/90/55/57/1417905557.db2.gz VHAQYEBMRMDLNG-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001713364473 1417978013 /nfs/dbraw/zinc/97/80/13/1417978013.db2.gz PTNDBVMMANUJAQ-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001713392819 1418006289 /nfs/dbraw/zinc/00/62/89/1418006289.db2.gz TVGPBYZJQNIOIO-MOPGFXCFSA-N 2 0 337.552 3.362 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1CC(C)C)CC1CC2(CCC2)C1 ZINC001713488184 1418184378 /nfs/dbraw/zinc/18/43/78/1418184378.db2.gz SCTFXOCLCJYAFG-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001713494351 1418197349 /nfs/dbraw/zinc/19/73/49/1418197349.db2.gz SDRWSRRCKKQOSX-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001733105383 1429244227 /nfs/dbraw/zinc/24/42/27/1429244227.db2.gz WNIRWNUAWJYOJA-IAGOWNOFSA-N 2 0 349.494 3.199 10 0 EGAERP CCc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001713641690 1418407986 /nfs/dbraw/zinc/40/79/86/1418407986.db2.gz VDAFRRMYQPAIBE-SFHVURJKSA-N 2 0 345.531 3.062 10 0 EGAERP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC001713664203 1418422025 /nfs/dbraw/zinc/42/20/25/1418422025.db2.gz KIOZUQJJOHJLLS-QGZVFWFLSA-N 2 0 339.483 3.045 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001713689846 1418442843 /nfs/dbraw/zinc/44/28/43/1418442843.db2.gz XDRPISPYPKCUCB-MOPGFXCFSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001713740359 1418540365 /nfs/dbraw/zinc/54/03/65/1418540365.db2.gz RFYLTNUZGCIONJ-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001713849974 1418645885 /nfs/dbraw/zinc/64/58/85/1418645885.db2.gz OGNNQWBNHCJSMS-PHWHVTFISA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001733172057 1429274269 /nfs/dbraw/zinc/27/42/69/1429274269.db2.gz OUOFACGNRABISK-NSISKUIASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)(C)CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001713865557 1418662756 /nfs/dbraw/zinc/66/27/56/1418662756.db2.gz HAYCAQBWPLOKGL-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)cc1 ZINC001713962874 1418743287 /nfs/dbraw/zinc/74/32/87/1418743287.db2.gz MIVNVIXWKDPQSW-WGSAOQKQSA-N 2 0 345.531 3.425 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713968932 1418748132 /nfs/dbraw/zinc/74/81/32/1418748132.db2.gz RQAAUHHRUMBJFK-CXLTZZKYSA-N 2 0 335.536 3.090 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCCC3)CC[C@H]21 ZINC001713974439 1418754175 /nfs/dbraw/zinc/75/41/75/1418754175.db2.gz FKNKIELVZYZYBB-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001714024796 1418809050 /nfs/dbraw/zinc/80/90/50/1418809050.db2.gz JHXGYKAVVKPMNB-SOAGJPPSSA-N 2 0 349.563 3.221 10 0 EGAERP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714040286 1418830019 /nfs/dbraw/zinc/83/00/19/1418830019.db2.gz VUJBZHHCLSNHBV-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714040389 1418830288 /nfs/dbraw/zinc/83/02/88/1418830288.db2.gz PTJIBTGLQLBAAS-MGBKSAOESA-N 2 0 335.536 3.140 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714041967 1418832404 /nfs/dbraw/zinc/83/24/04/1418832404.db2.gz QCUDPIZHPCNIAP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714079287 1418873565 /nfs/dbraw/zinc/87/35/65/1418873565.db2.gz HSEJVCRNTMMWQM-GRMGMVGISA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001714079090 1418873730 /nfs/dbraw/zinc/87/37/30/1418873730.db2.gz KDLBIASNXPLWQX-LJQANCHMSA-N 2 0 345.531 3.033 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001714106497 1418906081 /nfs/dbraw/zinc/90/60/81/1418906081.db2.gz AREQXMFYIXMFIV-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC001714125667 1418930669 /nfs/dbraw/zinc/93/06/69/1418930669.db2.gz ZZDUGMKYSHNPGS-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714142638 1418945118 /nfs/dbraw/zinc/94/51/18/1418945118.db2.gz XGLOMXOJIYPKFA-UXHICEINSA-N 2 0 343.515 3.204 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001714146588 1418951308 /nfs/dbraw/zinc/95/13/08/1418951308.db2.gz YQCFNJWAMIULSI-PMACEKPBSA-N 2 0 347.547 3.284 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001714152344 1418958845 /nfs/dbraw/zinc/95/88/45/1418958845.db2.gz AECWUUNJZJNUJK-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001714152343 1418959164 /nfs/dbraw/zinc/95/91/64/1418959164.db2.gz AECWUUNJZJNUJK-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[NH2+]C[C@](C)(NC(=O)C2CC[NH+](C)CC2)C2CC2)CC1 ZINC001714172692 1418980397 /nfs/dbraw/zinc/98/03/97/1418980397.db2.gz ZYYLNXYLWGQTGY-BPZDKFOGSA-N 2 0 349.563 3.029 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H](CC[NH2+]CC3CCCC3)C2)CC1 ZINC001714231262 1419023942 /nfs/dbraw/zinc/02/39/42/1419023942.db2.gz BQDLFGSIZWYDTO-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001714234942 1419025418 /nfs/dbraw/zinc/02/54/18/1419025418.db2.gz JRVWWJWARPXVHA-WOJBJXKFSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001714267894 1419049163 /nfs/dbraw/zinc/04/91/63/1419049163.db2.gz HJCOXPJSXLOUCC-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001714302036 1419082236 /nfs/dbraw/zinc/08/22/36/1419082236.db2.gz NDIYLAOZJQFBKT-OISZBXDOSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC=C(C)C ZINC001733202632 1429307659 /nfs/dbraw/zinc/30/76/59/1429307659.db2.gz WLKWLMUWIUEYKD-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C/C=C\Cl)cc1 ZINC001714323929 1419102481 /nfs/dbraw/zinc/10/24/81/1419102481.db2.gz VECQAUTWDVEOBO-YYLWEKDPSA-N 2 0 349.906 3.019 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001714395612 1419141645 /nfs/dbraw/zinc/14/16/45/1419141645.db2.gz DZNMEXLQNMOZRT-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001714406129 1419147867 /nfs/dbraw/zinc/14/78/67/1419147867.db2.gz DLAHWLKRVOYXAM-AWEZNQCLSA-N 2 0 342.487 3.034 10 0 EGAERP C[NH+](CC1=CCCCC1)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714448948 1419181252 /nfs/dbraw/zinc/18/12/52/1419181252.db2.gz NSCDHGLAOINHHW-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001714484968 1419208551 /nfs/dbraw/zinc/20/85/51/1419208551.db2.gz LUFBFFRKTREAHD-ADKAHSJRSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001714554885 1419282918 /nfs/dbraw/zinc/28/29/18/1419282918.db2.gz CWOJIIPBYOGOQC-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001714594276 1419344556 /nfs/dbraw/zinc/34/45/56/1419344556.db2.gz KNGMMURMZYWGLN-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001714616233 1419379064 /nfs/dbraw/zinc/37/90/64/1419379064.db2.gz ANZUPVOFRPDQJA-OALUTQOASA-N 2 0 345.531 3.369 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001714624488 1419393102 /nfs/dbraw/zinc/39/31/02/1419393102.db2.gz WTZAAJSEHQGAOB-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001714650285 1419427763 /nfs/dbraw/zinc/42/77/63/1419427763.db2.gz RETVVIKKWQUCLN-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP C[C@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714667243 1419455628 /nfs/dbraw/zinc/45/56/28/1419455628.db2.gz AYYZFNJJSYMLSZ-YWZKXWNWSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]CCN(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714723165 1419484180 /nfs/dbraw/zinc/48/41/80/1419484180.db2.gz LOVALHYLKKEZIS-OALUTQOASA-N 2 0 349.563 3.127 10 0 EGAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714779563 1419505748 /nfs/dbraw/zinc/50/57/48/1419505748.db2.gz DPOKAZKTSKWAQO-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001714811397 1419522655 /nfs/dbraw/zinc/52/26/55/1419522655.db2.gz BPYMDDSHTOFSKO-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc([C@@H](CNC(=O)C[NH+]2CCCC2)[NH2+]CC2CC2)cc1 ZINC001714834522 1419546374 /nfs/dbraw/zinc/54/63/74/1419546374.db2.gz JTBPMTZPGNCJAR-HXUWFJFHSA-N 2 0 343.515 3.063 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001714866726 1419594245 /nfs/dbraw/zinc/59/42/45/1419594245.db2.gz ATZHNMBZRPAFBV-IRXDYDNUSA-N 2 0 349.494 3.151 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715006592 1419736420 /nfs/dbraw/zinc/73/64/20/1419736420.db2.gz CFLUAQWDVFMTNI-NHQAVIFJSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001715052777 1419793651 /nfs/dbraw/zinc/79/36/51/1419793651.db2.gz NSVWQFWXNATVDB-RTBURBONSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1F ZINC001715076647 1419811444 /nfs/dbraw/zinc/81/14/44/1419811444.db2.gz VZWMGFLLTUIXSC-WMZOPIPTSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001715104272 1419845670 /nfs/dbraw/zinc/84/56/70/1419845670.db2.gz RAJLWYRLOLDXGD-HDICACEKSA-N 2 0 343.515 3.078 10 0 EGAERP C[NH+]1CCC(CC(=O)NC2(C[NH2+]CCC3CCCC3)CCCC2)CC1 ZINC001715106105 1419848069 /nfs/dbraw/zinc/84/80/69/1419848069.db2.gz RQBCLNZCFNJFLE-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001715121718 1419866698 /nfs/dbraw/zinc/86/66/98/1419866698.db2.gz BGYXEQIQBRZUBK-UWJYYQICSA-N 2 0 345.531 3.271 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001715137681 1419885956 /nfs/dbraw/zinc/88/59/56/1419885956.db2.gz ZDDAMFIPHSTCJG-XLIONFOSSA-N 2 0 339.568 3.419 10 0 EGAERP CC/C=C/CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001715201782 1419934537 /nfs/dbraw/zinc/93/45/37/1419934537.db2.gz LAWVACXXMBEHCJ-RLWBPELLSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001715236128 1419967020 /nfs/dbraw/zinc/96/70/20/1419967020.db2.gz NILLCFKJQRHVGS-FXAWDEMLSA-N 2 0 345.531 3.020 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715321034 1420028762 /nfs/dbraw/zinc/02/87/62/1420028762.db2.gz MPICRFHXLOWGPN-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715382567 1420079688 /nfs/dbraw/zinc/07/96/88/1420079688.db2.gz LOMULHFMKHWNNZ-VQTJNVASSA-N 2 0 349.563 3.480 10 0 EGAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715391290 1420088536 /nfs/dbraw/zinc/08/85/36/1420088536.db2.gz MPKMIIVOLARKTO-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001715421751 1420113795 /nfs/dbraw/zinc/11/37/95/1420113795.db2.gz XDQBUJHJMJUDCD-FXAWDEMLSA-N 2 0 345.531 3.031 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715461877 1420141706 /nfs/dbraw/zinc/14/17/06/1420141706.db2.gz GRKFCJKMIBSIPL-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001715463937 1420143361 /nfs/dbraw/zinc/14/33/61/1420143361.db2.gz IIVXJIMRNQOEOH-ZWKOTPCHSA-N 2 0 337.552 3.147 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001715482116 1420161323 /nfs/dbraw/zinc/16/13/23/1420161323.db2.gz WMIKZAKYYJPZPI-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC1)C(C)C)[NH+]1CCCCC1 ZINC001715508521 1420191966 /nfs/dbraw/zinc/19/19/66/1420191966.db2.gz WGHWHCBUPVSISZ-RTBURBONSA-N 2 0 337.552 3.027 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001715522915 1420210257 /nfs/dbraw/zinc/21/02/57/1420210257.db2.gz QAPVZUVPFCKEJV-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](CC[NH2+]CCCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715659038 1420282425 /nfs/dbraw/zinc/28/24/25/1420282425.db2.gz VGMAHKOGUUGXLP-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001715666959 1420286232 /nfs/dbraw/zinc/28/62/32/1420286232.db2.gz WELYMXBPJLANGY-QGZVFWFLSA-N 2 0 335.536 3.070 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001715718098 1420310118 /nfs/dbraw/zinc/31/01/18/1420310118.db2.gz YUIXCDXDYJWTAX-IEYVCLCVSA-N 2 0 343.515 3.059 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715738088 1420319302 /nfs/dbraw/zinc/31/93/02/1420319302.db2.gz PUKLEHPTSYGVIW-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]Cc1ccsc1)[NH+]1CCCCC1 ZINC001715915574 1420395822 /nfs/dbraw/zinc/39/58/22/1420395822.db2.gz UCXCCFRYCCCNNE-WRFKIARRSA-N 2 0 349.544 3.021 10 0 EGAERP Cc1cc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C2CCC2)c(C)c1 ZINC001716018873 1420473535 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0 325.541 3.027 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001716378245 1420624095 /nfs/dbraw/zinc/62/40/95/1420624095.db2.gz HUPRDWUMYTYQFY-OSFIAYCASA-N 2 0 349.563 3.338 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001716394924 1420632194 /nfs/dbraw/zinc/63/21/94/1420632194.db2.gz JQBLQSAEPPMQSW-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001716549402 1420757516 /nfs/dbraw/zinc/75/75/16/1420757516.db2.gz VHUKLGJVRNJWDG-RTBURBONSA-N 2 0 349.494 3.199 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001716705953 1420859991 /nfs/dbraw/zinc/85/99/91/1420859991.db2.gz IMHCYPBYIGQDJH-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001716715579 1420871650 /nfs/dbraw/zinc/87/16/50/1420871650.db2.gz FPJSAPPLGBGJBD-UHFFFAOYSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001716715479 1420871700 /nfs/dbraw/zinc/87/17/00/1420871700.db2.gz DTKFDIOPHYOIJQ-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001716725236 1420883999 /nfs/dbraw/zinc/88/39/99/1420883999.db2.gz TWVZDBKXLZALJI-OAQYLSRUSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001716727429 1420886211 /nfs/dbraw/zinc/88/62/11/1420886211.db2.gz CIWANDHMQHOBLT-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001716767758 1420913026 /nfs/dbraw/zinc/91/30/26/1420913026.db2.gz PMYOPNVDOJTNSM-SLVIYJBESA-N 2 0 349.563 3.434 10 0 EGAERP Cc1c(C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001716780370 1420918782 /nfs/dbraw/zinc/91/87/82/1420918782.db2.gz RILOUDLVKFXSGC-INIZCTEOSA-N 2 0 342.487 3.273 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001716795610 1420928432 /nfs/dbraw/zinc/92/84/32/1420928432.db2.gz XNXSUTTWMFRTGG-MZIIKBMYSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1)c1ccccc1 ZINC001716825193 1420951388 /nfs/dbraw/zinc/95/13/88/1420951388.db2.gz SHEOTCFRSJGZBJ-YLJYHZDGSA-N 2 0 343.515 3.108 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001716850532 1420980352 /nfs/dbraw/zinc/98/03/52/1420980352.db2.gz NXVBQLFRLOWFJL-NRFANRHFSA-N 2 0 345.531 3.116 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001716872216 1420999898 /nfs/dbraw/zinc/99/98/98/1420999898.db2.gz BOHLEABSBPOTPF-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001716889060 1421013126 /nfs/dbraw/zinc/01/31/26/1421013126.db2.gz VNBQRVWLTFWBIL-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001716987727 1421062325 /nfs/dbraw/zinc/06/23/25/1421062325.db2.gz OHUXIYRKYGEIAH-MOPGFXCFSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717037932 1421091877 /nfs/dbraw/zinc/09/18/77/1421091877.db2.gz HHSSSEYOBGCNIM-SLFFLAALSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717038791 1421093148 /nfs/dbraw/zinc/09/31/48/1421093148.db2.gz RJPNXFKLQQFOCF-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001717117003 1421121512 /nfs/dbraw/zinc/12/15/12/1421121512.db2.gz YHWUSGADOUJOLO-QGZVFWFLSA-N 2 0 345.531 3.485 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717125192 1421127503 /nfs/dbraw/zinc/12/75/03/1421127503.db2.gz FTAMQDOGJUDBSD-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCC1 ZINC001717159413 1421148821 /nfs/dbraw/zinc/14/88/21/1421148821.db2.gz ZJSDDKXDWYKDNH-PYTPGESOSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2)[NH+](C)C ZINC001717270350 1421226979 /nfs/dbraw/zinc/22/69/79/1421226979.db2.gz VIRBZAOKSJSGIL-LJQANCHMSA-N 2 0 345.531 3.395 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1=CCCCC1 ZINC001717338217 1421275666 /nfs/dbraw/zinc/27/56/66/1421275666.db2.gz RQJRWCLNFKDCIP-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)cc1C ZINC001717442540 1421371844 /nfs/dbraw/zinc/37/18/44/1421371844.db2.gz PTEDFPGNBSRGQA-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001717447938 1421377316 /nfs/dbraw/zinc/37/73/16/1421377316.db2.gz YDUVEIFKTDZQJQ-AATRIKPKSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001733296147 1429478703 /nfs/dbraw/zinc/47/87/03/1429478703.db2.gz DIMTZHHDSFYQPA-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC(C)(C)C1 ZINC001717490032 1421428397 /nfs/dbraw/zinc/42/83/97/1421428397.db2.gz DNAAXRUVZVJMOV-WMZOPIPTSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)=CC[NH2+][C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001717513518 1421450455 /nfs/dbraw/zinc/45/04/55/1421450455.db2.gz WBKUKKUXLCBVGQ-RTBURBONSA-N 2 0 337.552 3.288 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696516 1421570621 /nfs/dbraw/zinc/57/06/21/1421570621.db2.gz VLJPVAAQIFMUMI-ICSRJNTNSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001717731944 1421597607 /nfs/dbraw/zinc/59/76/07/1421597607.db2.gz UHQUASDSOUHFQQ-WOJBJXKFSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001717731941 1421597851 /nfs/dbraw/zinc/59/78/51/1421597851.db2.gz UHQUASDSOUHFQQ-PMACEKPBSA-N 2 0 347.547 3.186 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001733307052 1429491325 /nfs/dbraw/zinc/49/13/25/1429491325.db2.gz LNYOQABFERUWAA-SFHVURJKSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001717831059 1421643523 /nfs/dbraw/zinc/64/35/23/1421643523.db2.gz WRBXMMOHCDFITF-QFBILLFUSA-N 2 0 345.531 3.377 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC1CCCCC1)CC2 ZINC001717843435 1421658287 /nfs/dbraw/zinc/65/82/87/1421658287.db2.gz XVOWCMHFWCNXGX-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1CCCCC1)CC2 ZINC001717843434 1421658502 /nfs/dbraw/zinc/65/85/02/1421658502.db2.gz XVOWCMHFWCNXGX-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CCC(C)(C)C ZINC001717857103 1421669583 /nfs/dbraw/zinc/66/95/83/1421669583.db2.gz CPAUMBQURUZBIR-DLBZAZTESA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCC1 ZINC001717862213 1421674928 /nfs/dbraw/zinc/67/49/28/1421674928.db2.gz GBKGULFLKLNFED-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCC1 ZINC001717862215 1421674986 /nfs/dbraw/zinc/67/49/86/1421674986.db2.gz GBKGULFLKLNFED-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717870062 1421679348 /nfs/dbraw/zinc/67/93/48/1421679348.db2.gz CWJRYPQZXFGQIO-ASIGSXEYSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](NC(=O)[C@H]2CCCC[N@H+]2C)C(C)(C)C)c1 ZINC001717963126 1421734283 /nfs/dbraw/zinc/73/42/83/1421734283.db2.gz OZDSEGILHKMCSG-RTBURBONSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001717969617 1421741627 /nfs/dbraw/zinc/74/16/27/1421741627.db2.gz YTZRXRBHTHVJBV-QZTJIDSGSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCC1 ZINC001717973981 1421745918 /nfs/dbraw/zinc/74/59/18/1421745918.db2.gz PJQZOESZNPQLJF-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717994460 1421762886 /nfs/dbraw/zinc/76/28/86/1421762886.db2.gz GMIBYMHWGVVCRG-LYBXBRPPSA-N 2 0 349.563 3.409 10 0 EGAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001717995210 1421763344 /nfs/dbraw/zinc/76/33/44/1421763344.db2.gz IZUWSAFZXFHUGQ-RCPXGPCCSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717998454 1421765969 /nfs/dbraw/zinc/76/59/69/1421765969.db2.gz IYOIWDVFRPUFKU-CTWPCTMYSA-N 2 0 331.504 3.059 10 0 EGAERP CCCCCC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001718004371 1421771009 /nfs/dbraw/zinc/77/10/09/1421771009.db2.gz PIDBTQRWHVWTDN-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001718023353 1421777635 /nfs/dbraw/zinc/77/76/35/1421777635.db2.gz DETWYQPMBVOPJB-QZPVUJMKSA-N 2 0 345.531 3.108 10 0 EGAERP CCCCCC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733360887 1429544067 /nfs/dbraw/zinc/54/40/67/1429544067.db2.gz FICIYZXXMFUECK-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733448752 1429659425 /nfs/dbraw/zinc/65/94/25/1429659425.db2.gz RPCVGDDDBSMVHN-VOFKWLDRSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733451606 1429664092 /nfs/dbraw/zinc/66/40/92/1429664092.db2.gz FCOQNJNHVUYZKO-AATRIKPKSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001733465523 1429698355 /nfs/dbraw/zinc/69/83/55/1429698355.db2.gz MNKWVQCEJOOXSO-FPOVZHCZSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001722951175 1424273648 /nfs/dbraw/zinc/27/36/48/1424273648.db2.gz BJIQWRGJFAWXGD-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001723679315 1424525862 /nfs/dbraw/zinc/52/58/62/1424525862.db2.gz KDXLRZSKOLBQGI-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001723745546 1424557128 /nfs/dbraw/zinc/55/71/28/1424557128.db2.gz ORQFMOGZLOMSHX-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001723967305 1424614448 /nfs/dbraw/zinc/61/44/48/1424614448.db2.gz QCFDDADJJXGFAJ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001724154155 1424695723 /nfs/dbraw/zinc/69/57/23/1424695723.db2.gz MEMQZAREXTYXST-TWPWWVQHSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724248653 1424754279 /nfs/dbraw/zinc/75/42/79/1424754279.db2.gz DZFRGZMLRQDYKM-BOXUBARPSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001724325577 1424814245 /nfs/dbraw/zinc/81/42/45/1424814245.db2.gz YWESIKZMUBYCNR-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512326 1424889835 /nfs/dbraw/zinc/88/98/35/1424889835.db2.gz ROGHWVPIISZZBF-VQTJNVASSA-N 2 0 345.531 3.279 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724609375 1424947136 /nfs/dbraw/zinc/94/71/36/1424947136.db2.gz CYTKRPKGYMMBKB-FHWLQOOXSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001724612510 1424954195 /nfs/dbraw/zinc/95/41/95/1424954195.db2.gz GUJUBPPKOGFAFL-IYWMVGAKSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001724613876 1424957226 /nfs/dbraw/zinc/95/72/26/1424957226.db2.gz PISWGYYWTJQLGM-HAGHYFMRSA-N 2 0 349.563 3.266 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001724653355 1425016524 /nfs/dbraw/zinc/01/65/24/1425016524.db2.gz QJEZWFCCDREJKY-ZKABGFLLSA-N 2 0 349.563 3.384 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCCCC1 ZINC001724657133 1425024462 /nfs/dbraw/zinc/02/44/62/1425024462.db2.gz QJLIEYOMBPUFIT-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724729042 1425080835 /nfs/dbraw/zinc/08/08/35/1425080835.db2.gz UIDHNIVANZUYGD-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001724755465 1425126219 /nfs/dbraw/zinc/12/62/19/1425126219.db2.gz QAMJRENVVIZKHV-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001724890962 1425277985 /nfs/dbraw/zinc/27/79/85/1425277985.db2.gz IMXVEQNINFBDNZ-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001724900977 1425296585 /nfs/dbraw/zinc/29/65/85/1425296585.db2.gz WKTFQKAFPHBJCB-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001724902666 1425297580 /nfs/dbraw/zinc/29/75/80/1425297580.db2.gz XUPYYPKFUJWUMX-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001724942947 1425327828 /nfs/dbraw/zinc/32/78/28/1425327828.db2.gz YQXUCXNCVJJGDB-RWGIFROESA-N 2 0 349.544 3.216 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001724974757 1425376647 /nfs/dbraw/zinc/37/66/47/1425376647.db2.gz ONKRZQUSPRPAQH-BLGFXRMMSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001725016860 1425435440 /nfs/dbraw/zinc/43/54/40/1425435440.db2.gz GAVFAJSHTZENLT-VOTSOKGWSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001725041848 1425467946 /nfs/dbraw/zinc/46/79/46/1425467946.db2.gz MVNZNHNTQFSDGZ-RBUKOAKNSA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)[C@@H](C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001725074875 1425515143 /nfs/dbraw/zinc/51/51/43/1425515143.db2.gz ANMJFSDEWBXZJO-MHJFOBGBSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001725097039 1425541205 /nfs/dbraw/zinc/54/12/05/1425541205.db2.gz UDRVRKDGVOHKQP-MSOLQXFVSA-N 2 0 345.531 3.242 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001725097043 1425541278 /nfs/dbraw/zinc/54/12/78/1425541278.db2.gz UDRVRKDGVOHKQP-ROUUACIJSA-N 2 0 345.531 3.242 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001725097350 1425541749 /nfs/dbraw/zinc/54/17/49/1425541749.db2.gz OWTPBSOHKBTMNO-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001725129609 1425597128 /nfs/dbraw/zinc/59/71/28/1425597128.db2.gz BJICKZPMCYHCBJ-VIQWUECVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccc(F)cc1 ZINC001725191414 1425736224 /nfs/dbraw/zinc/73/62/24/1425736224.db2.gz UYLFGJFFQVETOI-SJORKVTESA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001725231028 1425804458 /nfs/dbraw/zinc/80/44/58/1425804458.db2.gz ZCVTYGXVWYFAMK-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001725250994 1425871624 /nfs/dbraw/zinc/87/16/24/1425871624.db2.gz YJFJGUNRGDPQKW-ZYLKZGKVSA-N 2 0 335.536 3.042 10 0 EGAERP CC/C=C/CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001725282766 1425919479 /nfs/dbraw/zinc/91/94/79/1425919479.db2.gz FPJSLCADSLLZRU-VUOWKATKSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]([NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C)c1ccccc1 ZINC001725444713 1426106622 /nfs/dbraw/zinc/10/66/22/1426106622.db2.gz LOMRNJYUWHTZJR-VAMGGRTRSA-N 2 0 345.531 3.352 10 0 EGAERP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCC(C)CC1 ZINC001725508899 1426194550 /nfs/dbraw/zinc/19/45/50/1426194550.db2.gz YKTDUGUGRDHQOX-LXPRWKDFSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)[C@H]2C)ccc2c[nH+]cn21 ZINC001725567866 1426228975 /nfs/dbraw/zinc/22/89/75/1426228975.db2.gz VCWDXPYINGEPOV-VQIMIIECSA-N 2 0 342.487 3.272 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001725609069 1426266418 /nfs/dbraw/zinc/26/64/18/1426266418.db2.gz GEIOYQZVZPZKHA-YYEGJTBDSA-N 2 0 347.547 3.186 10 0 EGAERP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001725621745 1426285923 /nfs/dbraw/zinc/28/59/23/1426285923.db2.gz HMVNJYSMBRKZBB-FUHWJXTLSA-N 2 0 347.547 3.020 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001725683831 1426371391 /nfs/dbraw/zinc/37/13/91/1426371391.db2.gz TUZGZMNLVKRBHT-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001725684148 1426371966 /nfs/dbraw/zinc/37/19/66/1426371966.db2.gz YGDUJNIXVADTNU-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C ZINC001725749017 1426427351 /nfs/dbraw/zinc/42/73/51/1426427351.db2.gz CGRFCORLFORAGK-QGZVFWFLSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001725753069 1426431557 /nfs/dbraw/zinc/43/15/57/1426431557.db2.gz BZNKPUGEAJWPJJ-AEFFLSMTSA-N 2 0 339.568 3.273 10 0 EGAERP CCCCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001725774148 1426457820 /nfs/dbraw/zinc/45/78/20/1426457820.db2.gz DPPNKMJLDQDLNT-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001725779360 1426463151 /nfs/dbraw/zinc/46/31/51/1426463151.db2.gz GYYWVTCCYAUPLZ-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731278467 1427223343 /nfs/dbraw/zinc/22/33/43/1427223343.db2.gz UZBRGVWLTOLLCT-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001731283096 1427226784 /nfs/dbraw/zinc/22/67/84/1427226784.db2.gz OHNAEFIZLFXOAZ-YLJYHZDGSA-N 2 0 345.531 3.261 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001731344521 1427282545 /nfs/dbraw/zinc/28/25/45/1427282545.db2.gz NCKHBDCQFJSZMF-GOSISDBHSA-N 2 0 343.515 3.123 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001731352015 1427291580 /nfs/dbraw/zinc/29/15/80/1427291580.db2.gz JACFOKHYHQUASJ-CWHLKURSSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001731385905 1427331491 /nfs/dbraw/zinc/33/14/91/1427331491.db2.gz OXCMXJXMAVIYCP-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC=C(C)C)CC1 ZINC001731386559 1427332486 /nfs/dbraw/zinc/33/24/86/1427332486.db2.gz XCHVTVLFKQSNNP-VQTJNVASSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001731402186 1427362628 /nfs/dbraw/zinc/36/26/28/1427362628.db2.gz JTIWOKAUCYVAIN-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731425109 1427405790 /nfs/dbraw/zinc/40/57/90/1427405790.db2.gz MLFUVYDSEOHFJJ-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001731446928 1427424864 /nfs/dbraw/zinc/42/48/64/1427424864.db2.gz MXTPLRJHNSDYCQ-BZSNNMDCSA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)[NH+](CC)CC ZINC001731486825 1427461278 /nfs/dbraw/zinc/46/12/78/1427461278.db2.gz WSZANBWXUOBOMI-PIKOESSRSA-N 2 0 343.515 3.031 10 0 EGAERP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001731540673 1427546325 /nfs/dbraw/zinc/54/63/25/1427546325.db2.gz BMJLHFZQCNRQES-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560006 1427594151 /nfs/dbraw/zinc/59/41/51/1427594151.db2.gz UKGHBBLIQBGVRU-KPDZFXRVSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001731571492 1427612921 /nfs/dbraw/zinc/61/29/21/1427612921.db2.gz IIDFGNYVGVSINU-UHFFFAOYSA-N 2 0 325.541 3.172 10 0 EGAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001731597173 1427639800 /nfs/dbraw/zinc/63/98/00/1427639800.db2.gz CESQBAMXKPEBSI-VQIMIIECSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692943 1427741528 /nfs/dbraw/zinc/74/15/28/1427741528.db2.gz QCLQGPINRPAYOM-OALUTQOASA-N 2 0 349.563 3.458 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001731756493 1427857412 /nfs/dbraw/zinc/85/74/12/1427857412.db2.gz APVBUAQOXKXSDL-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C(=O)NCC[N@H+](C)CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001731786579 1427921703 /nfs/dbraw/zinc/92/17/03/1427921703.db2.gz YWQBQNLTAPCKDZ-JLAWEPINSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)CCc1c[nH]cn1)[C@@H](C)c1cc(C)ccc1C ZINC001731804177 1427972364 /nfs/dbraw/zinc/97/23/64/1427972364.db2.gz FNZNHJCJKRUUCG-KRWDZBQOSA-N 2 0 342.487 3.158 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001731829269 1428036439 /nfs/dbraw/zinc/03/64/39/1428036439.db2.gz OPAAYPWVTUNHSD-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001731829271 1428036461 /nfs/dbraw/zinc/03/64/61/1428036461.db2.gz OPAAYPWVTUNHSD-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001731829270 1428037153 /nfs/dbraw/zinc/03/71/53/1428037153.db2.gz OPAAYPWVTUNHSD-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001731864482 1428109361 /nfs/dbraw/zinc/10/93/61/1428109361.db2.gz KSEHONXITODRKJ-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CC(C)(C)C1 ZINC001731870293 1428125160 /nfs/dbraw/zinc/12/51/60/1428125160.db2.gz WVZTUFUKSPIRGA-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](CC1CCCCCC1)C1CC1 ZINC001731885539 1428161034 /nfs/dbraw/zinc/16/10/34/1428161034.db2.gz PRGBBNVKVCGOSU-HDICACEKSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](C(=O)N(C)CC[NH2+]C/C=C/c1ccccc1)[NH+]1CCCCCC1 ZINC001731962047 1428185362 /nfs/dbraw/zinc/18/53/62/1428185362.db2.gz LWTMECNICMNQNN-QHSLDKKCSA-N 2 0 343.515 3.012 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001733597588 1429796718 /nfs/dbraw/zinc/79/67/18/1429796718.db2.gz HCYAYEFFNIBUPP-CEXWTWQISA-N 2 0 335.536 3.116 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001733603963 1429812744 /nfs/dbraw/zinc/81/27/44/1429812744.db2.gz RYAFMGQPBFCUID-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001733675965 1429871540 /nfs/dbraw/zinc/87/15/40/1429871540.db2.gz JALNEFVIGMCQGA-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733769930 1429998736 /nfs/dbraw/zinc/99/87/36/1429998736.db2.gz RECXZKQWIXAXEV-PRPIBZDOSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CCC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001733774408 1430014766 /nfs/dbraw/zinc/01/47/66/1430014766.db2.gz RDLFVHHLWFPTFC-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001733812356 1430090622 /nfs/dbraw/zinc/09/06/22/1430090622.db2.gz IJUJZNDKEKZADA-RXDZQLDNSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001733814659 1430095237 /nfs/dbraw/zinc/09/52/37/1430095237.db2.gz VEUUEYDSFPAHOZ-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001733869300 1437695614 /nfs/dbraw/zinc/69/56/14/1437695614.db2.gz HEFIFZPCTHEDPC-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC1([NH2+]Cc2ccccc2)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001733870041 1437696232 /nfs/dbraw/zinc/69/62/32/1437696232.db2.gz UPYVWUHUCGKEDJ-UHFFFAOYSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001733940025 1437756486 /nfs/dbraw/zinc/75/64/86/1437756486.db2.gz FYVROSKEGBDSPR-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001733977794 1437776784 /nfs/dbraw/zinc/77/67/84/1437776784.db2.gz IDFKASKGMIYQNL-LSDHHAIUSA-N 2 0 330.476 3.175 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001733996447 1437789974 /nfs/dbraw/zinc/78/99/74/1437789974.db2.gz UPHQYOOVDQGOLP-IRXDYDNUSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CCC(C)C)CC1 ZINC001734010846 1437802352 /nfs/dbraw/zinc/80/23/52/1437802352.db2.gz SUHJQKYXQMDBBT-CTWPCTMYSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCC1 ZINC001734044655 1437833205 /nfs/dbraw/zinc/83/32/05/1437833205.db2.gz PLCARYAGXMCZMW-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001734056903 1437848765 /nfs/dbraw/zinc/84/87/65/1437848765.db2.gz DRGVDRBXIPLXOS-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001734066622 1437861879 /nfs/dbraw/zinc/86/18/79/1437861879.db2.gz SYTLWTFWSKPEJM-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001734082430 1437869167 /nfs/dbraw/zinc/86/91/67/1437869167.db2.gz MAZUSXQFADBGCM-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCC3=CCCCC3)CCCCC2)C1 ZINC001734092745 1437877109 /nfs/dbraw/zinc/87/71/09/1437877109.db2.gz SFIJAICXENVANQ-IBGZPJMESA-N 2 0 347.547 3.237 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001734131962 1437907825 /nfs/dbraw/zinc/90/78/25/1437907825.db2.gz YZTCIUBYNQJGPE-PXNSSMCTSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2C1 ZINC001734194665 1437935540 /nfs/dbraw/zinc/93/55/40/1437935540.db2.gz UENFPZDYPYWNER-VAMGGRTRSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001734256510 1437971813 /nfs/dbraw/zinc/97/18/13/1437971813.db2.gz KXZUSOFFOLTKCH-OALUTQOASA-N 2 0 345.531 3.354 10 0 EGAERP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001734275002 1438008980 /nfs/dbraw/zinc/00/89/80/1438008980.db2.gz XXBSQFIWMDQFLR-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308215 1438040168 /nfs/dbraw/zinc/04/01/68/1438040168.db2.gz HKQHAFMRIQLBGZ-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001734327669 1438052285 /nfs/dbraw/zinc/05/22/85/1438052285.db2.gz ZBIPLDJPCNJZIV-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001734347729 1438066538 /nfs/dbraw/zinc/06/65/38/1438066538.db2.gz VKUHFMCYVGTTMD-QGZVFWFLSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734420701 1438089777 /nfs/dbraw/zinc/08/97/77/1438089777.db2.gz RYDUMXWISFLQLU-HMTUNPETSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC/C=C/c2ccccc2)C[C@@H]1C ZINC001734427065 1438092360 /nfs/dbraw/zinc/09/23/60/1438092360.db2.gz OBYVZXVEMOKMST-KOXHKMTQSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001734488834 1438129812 /nfs/dbraw/zinc/12/98/12/1438129812.db2.gz SGQKQEZAIYZKOU-PXNSSMCTSA-N 2 0 343.515 3.203 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001734502927 1438135881 /nfs/dbraw/zinc/13/58/81/1438135881.db2.gz QCXYINNBOAVDIB-VQIMIIECSA-N 2 0 345.531 3.235 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C)CCC1 ZINC001734561677 1438158881 /nfs/dbraw/zinc/15/88/81/1438158881.db2.gz OLNQBRJFEGVYAK-MRXNPFEDSA-N 2 0 339.568 3.418 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001734587444 1438177272 /nfs/dbraw/zinc/17/72/72/1438177272.db2.gz LQOSXXJUULCBFS-MWZYOKOPSA-N 2 0 347.547 3.045 10 0 EGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131209834 223213648 /nfs/dbraw/zinc/21/36/48/223213648.db2.gz QBIWRAKVNFYKMR-LEWJYISDSA-N 2 0 329.532 3.186 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000268820337 252271258 /nfs/dbraw/zinc/27/12/58/252271258.db2.gz RUJTZZJLOULWSX-HBGVWJBISA-N 2 0 342.458 3.359 10 0 EGAERP Cn1cncc1[C@@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622030 258035281 /nfs/dbraw/zinc/03/52/81/258035281.db2.gz AWZJZJKLRFYXFH-XLIONFOSSA-N 2 0 346.519 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]2CN(CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526057 141013775 /nfs/dbraw/zinc/01/37/75/141013775.db2.gz ADCAIEKHXCVQLE-YLJYHZDGSA-N 2 0 337.467 3.194 10 0 EGAERP c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488496 141122104 /nfs/dbraw/zinc/12/21/04/141122104.db2.gz PHXUQIZSKNZAFA-HXUWFJFHSA-N 2 0 339.483 3.033 10 0 EGAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000348061741 141237372 /nfs/dbraw/zinc/23/73/72/141237372.db2.gz JKACCUGNQDEVBL-RTBURBONSA-N 2 0 330.520 3.008 10 0 EGAERP CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174896038 144053934 /nfs/dbraw/zinc/05/39/34/144053934.db2.gz DKIBHIOROAXFPX-QGZVFWFLSA-N 2 0 339.886 3.081 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)C12CCOCC2 ZINC000186248674 144128558 /nfs/dbraw/zinc/12/85/58/144128558.db2.gz ZJCKIQJYJSETNJ-GBESFXJTSA-N 2 0 338.536 3.062 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192687642 144177800 /nfs/dbraw/zinc/17/78/00/144177800.db2.gz AGBQRCQZLSKAFW-SEJPIABJSA-N 2 0 327.516 3.174 10 0 EGAERP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CC[C@@H](C)C1 ZINC000361643920 144341903 /nfs/dbraw/zinc/34/19/03/144341903.db2.gz NWQOBJJEDFXRDT-DNVCBOLYSA-N 2 0 328.460 3.213 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1N(C)C[C@]1(C)CC[NH2+]C1 ZINC000261903967 153747534 /nfs/dbraw/zinc/74/75/34/153747534.db2.gz WPXDLOKGHFTZJH-DBXWQHBBSA-N 2 0 329.532 3.074 10 0 EGAERP COc1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000310950102 154145040 /nfs/dbraw/zinc/14/50/40/154145040.db2.gz LUGFHYXWMZCTQL-VQIMIIECSA-N 2 0 340.467 3.401 10 0 EGAERP CCCN(C[C@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336707239 154211968 /nfs/dbraw/zinc/21/19/68/154211968.db2.gz MBPOVJHOFDNART-SFTDATJTSA-N 2 0 329.532 3.363 10 0 EGAERP CC[NH+](CC)CC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000337474997 154371837 /nfs/dbraw/zinc/37/18/37/154371837.db2.gz SVXBLBIMWKMDPE-UHFFFAOYSA-N 2 0 345.531 3.137 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346828706 156154149 /nfs/dbraw/zinc/15/41/49/156154149.db2.gz JUZNJBPMPCMYKH-SFHVURJKSA-N 2 0 328.435 3.027 10 0 EGAERP O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249033750 163051846 /nfs/dbraw/zinc/05/18/46/163051846.db2.gz RTRZOXDOWSLEOI-QGAVKGNSSA-N 2 0 348.490 3.430 10 0 EGAERP Cc1cnn(CC[NH2+][C@@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000338328479 163212564 /nfs/dbraw/zinc/21/25/64/163212564.db2.gz TUVHLHAUDFFYTR-LJQANCHMSA-N 2 0 326.488 3.082 10 0 EGAERP c1cn(-c2csc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)c2)cn1 ZINC000346169702 164355477 /nfs/dbraw/zinc/35/54/77/164355477.db2.gz MTNVJVRQOAVKSI-HNAYVOBHSA-N 2 0 342.512 3.383 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)[C@H]1Cc2ccccc2O1 ZINC000346178761 164358024 /nfs/dbraw/zinc/35/80/24/164358024.db2.gz SIVPEFFKSIMXEG-HRAATJIYSA-N 2 0 348.450 3.400 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCOC[C@@H]1c1ccccc1 ZINC000346231752 164361008 /nfs/dbraw/zinc/36/10/08/164361008.db2.gz YHNQQHNPTSBDTJ-HXUWFJFHSA-N 2 0 334.423 3.149 10 0 EGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@@H]2C)cc1 ZINC000359524142 167178323 /nfs/dbraw/zinc/17/83/23/167178323.db2.gz VIDTXABUOZRCAH-HOTGVXAUSA-N 2 0 340.471 3.232 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000366284206 168102298 /nfs/dbraw/zinc/10/22/98/168102298.db2.gz OKZZRQXMVJXDPZ-VWEINGBSSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@H](CC(N)=O)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367162585 168186267 /nfs/dbraw/zinc/18/62/67/168186267.db2.gz CRTATKMSSPOACE-SFNIJOPGSA-N 2 0 349.906 3.107 10 0 EGAERP C[NH+]1CCC2(CCC[N@H+](Cc3ccn(-c4ccc(F)cc4)n3)C2)CC1 ZINC000367199682 168192376 /nfs/dbraw/zinc/19/23/76/168192376.db2.gz LFWSJKKLAPWQJS-UHFFFAOYSA-N 2 0 342.462 3.319 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719937 265132753 /nfs/dbraw/zinc/13/27/53/265132753.db2.gz CIXMGQZWIATCRR-APWZRJJASA-N 2 0 331.504 3.411 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)C[C@H]21 ZINC000228474013 266201075 /nfs/dbraw/zinc/20/10/75/266201075.db2.gz KDNMBRBATCZUIG-UXIGCNINSA-N 2 0 329.271 3.431 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887437 267302263 /nfs/dbraw/zinc/30/22/63/267302263.db2.gz ITVPVURZZWAVMP-QFBILLFUSA-N 2 0 342.458 3.318 10 0 EGAERP CO[C@@]1(C)C[C@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346181823 274073825 /nfs/dbraw/zinc/07/38/25/274073825.db2.gz VBHCDXDVTCORID-HKUYNNGSSA-N 2 0 328.460 3.211 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000107779207 278780995 /nfs/dbraw/zinc/78/09/95/278780995.db2.gz NOYKYZUJKVJRNT-LJQANCHMSA-N 2 0 337.552 3.366 10 0 EGAERP OC[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414337754 309073731 /nfs/dbraw/zinc/07/37/31/309073731.db2.gz KYXWYJDSJOSAGU-VIYGXFRKSA-N 2 0 328.500 3.323 10 0 EGAERP COc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@@H]1C[NH3+] ZINC000414796286 309101955 /nfs/dbraw/zinc/10/19/55/309101955.db2.gz HHNLDQRZQGWNJY-BXUZGUMPSA-N 2 0 327.266 3.065 10 0 EGAERP COc1ccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c(OC)c1OC ZINC000414816314 309103506 /nfs/dbraw/zinc/10/35/06/309103506.db2.gz ZYJUXRIVECYXIS-CYBMUJFWSA-N 2 0 330.428 3.022 10 0 EGAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(C)C ZINC000397760791 308904803 /nfs/dbraw/zinc/90/48/03/308904803.db2.gz KYVUBGUNXPPQDE-RBUKOAKNSA-N 2 0 330.516 3.428 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCc2cc(N)ccc21 ZINC000414910415 309108790 /nfs/dbraw/zinc/10/87/90/309108790.db2.gz CQDSLWZPLVWBRF-HXUWFJFHSA-N 2 0 333.439 3.325 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414945480 309110690 /nfs/dbraw/zinc/11/06/90/309110690.db2.gz RRSVUCBKYVMAFX-HFAKWTLXSA-N 2 0 329.257 3.107 10 0 EGAERP COC[C@]1(C[NH2+]C2CCC(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000414953540 309111130 /nfs/dbraw/zinc/11/11/30/309111130.db2.gz JWSLREHPTSVGIE-OUNSHVDWSA-N 2 0 332.488 3.080 10 0 EGAERP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415051246 309116555 /nfs/dbraw/zinc/11/65/55/309116555.db2.gz JHFZHVUQUQBFGK-JSRAGOMMSA-N 2 0 345.506 3.268 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000417019815 309189945 /nfs/dbraw/zinc/18/99/45/309189945.db2.gz RGTDHVYMDVILFT-DNVCBOLYSA-N 2 0 346.519 3.016 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000417038507 309190676 /nfs/dbraw/zinc/19/06/76/309190676.db2.gz IUQXIQZVUVHPEL-SJORKVTESA-N 2 0 346.519 3.018 10 0 EGAERP CCn1nncc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000417881692 309226621 /nfs/dbraw/zinc/22/66/21/309226621.db2.gz VBVUYUMFFCNGKO-IAGOWNOFSA-N 2 0 341.503 3.066 10 0 EGAERP C[N@H+](CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422708806 309363950 /nfs/dbraw/zinc/36/39/50/309363950.db2.gz YGUPBEBLNAYNBW-FPOVZHCZSA-N 2 0 343.515 3.096 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711638 309364161 /nfs/dbraw/zinc/36/41/61/309364161.db2.gz HFNPSHYGZHZGRM-OQIJWPOYSA-N 2 0 347.572 3.395 10 0 EGAERP COc1ccc([C@H](NCCC[N@@H+]2CCCC[C@H]2C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422763601 309367138 /nfs/dbraw/zinc/36/71/38/309367138.db2.gz JJEKHFDJNTYBSZ-QMMLZNLJSA-N 2 0 345.531 3.342 10 0 EGAERP COc1ccc(OC)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422771358 309367453 /nfs/dbraw/zinc/36/74/53/309367453.db2.gz REBGAVFIRVGJBQ-GXTWGEPZSA-N 2 0 329.444 3.278 10 0 EGAERP COc1ccc([C@@H](NC2CC[NH+](CC(C)C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422816927 309369982 /nfs/dbraw/zinc/36/99/82/309369982.db2.gz GMFGQODUJQDHNU-NHCUHLMSSA-N 2 0 345.531 3.198 10 0 EGAERP CCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422823515 309370309 /nfs/dbraw/zinc/37/03/09/309370309.db2.gz DMXUXZQSBZUMIX-AWEZNQCLSA-N 2 0 343.471 3.497 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(C)c(F)c2)CC[NH2+]CC1 ZINC000422872538 309373024 /nfs/dbraw/zinc/37/30/24/309373024.db2.gz HMNKDUWVZBFDIH-HUUCEWRRSA-N 2 0 336.451 3.106 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000422887026 309374292 /nfs/dbraw/zinc/37/42/92/309374292.db2.gz XXEVTGZRWGBSFV-OPYAIIAOSA-N 3 0 347.547 3.008 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422893743 309374606 /nfs/dbraw/zinc/37/46/06/309374606.db2.gz AQDISLFKNJLBNI-PCCBWWKXSA-N 3 0 345.531 3.027 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913062 309375708 /nfs/dbraw/zinc/37/57/08/309375708.db2.gz XOOBVYCTADYKCG-HUUCEWRRSA-N 2 0 325.447 3.036 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422915522 309376052 /nfs/dbraw/zinc/37/60/52/309376052.db2.gz BFBLLYLRNBFSIJ-KBPBESRZSA-N 2 0 343.471 3.148 10 0 EGAERP COc1cc(C)cc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423000006 309380141 /nfs/dbraw/zinc/38/01/41/309380141.db2.gz GLWRFRVMUAKNDD-FPOVZHCZSA-N 2 0 338.451 3.349 10 0 EGAERP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1)N1CCCCC1 ZINC000423106559 309386238 /nfs/dbraw/zinc/38/62/38/309386238.db2.gz ZZTFLCZJMWJOFP-JAZQRGJZSA-N 2 0 347.547 3.068 10 0 EGAERP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1C ZINC000423158224 309388762 /nfs/dbraw/zinc/38/87/62/309388762.db2.gz CMJFLXGZMGKSLS-MXEMCNAFSA-N 2 0 330.516 3.107 10 0 EGAERP C[C@H](NCCC[NH2+]Cc1cccnc1)c1nc2c(s1)CCCC2 ZINC000423185130 309389594 /nfs/dbraw/zinc/38/95/94/309389594.db2.gz JGJRKPOEPOTTSM-AWEZNQCLSA-N 2 0 330.501 3.247 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423221865 309391307 /nfs/dbraw/zinc/39/13/07/309391307.db2.gz YMQJODIZOMOQQT-OZVIIMIRSA-N 2 0 327.394 3.456 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423272438 309393612 /nfs/dbraw/zinc/39/36/12/309393612.db2.gz HZSZDTRNCGCFAC-OGHNNQOOSA-N 2 0 333.867 3.089 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000423292557 309394336 /nfs/dbraw/zinc/39/43/36/309394336.db2.gz NIEXVKNLZRDLOY-IAGOWNOFSA-N 3 0 341.499 3.498 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423394482 309398405 /nfs/dbraw/zinc/39/84/05/309398405.db2.gz MSYMFSJGLVFOHC-QNDFHXLGSA-N 2 0 327.516 3.017 10 0 EGAERP COCC1(C[NH2+][C@@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423395831 309398616 /nfs/dbraw/zinc/39/86/16/309398616.db2.gz AXMBFKVUUOPOGY-MRXNPFEDSA-N 2 0 338.879 3.160 10 0 EGAERP C[NH+](C)CCOc1cccc(NC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000426089130 309499249 /nfs/dbraw/zinc/49/92/49/309499249.db2.gz KVQOCKHLYHHTBS-UHFFFAOYSA-N 2 0 347.503 3.078 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)OCC)CC1 ZINC000436405593 309754716 /nfs/dbraw/zinc/75/47/16/309754716.db2.gz BERYAPWMGHCITA-UHFFFAOYSA-N 2 0 333.520 3.123 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)[C@@H](C)C1 ZINC000449032296 310031054 /nfs/dbraw/zinc/03/10/54/310031054.db2.gz WXXMQCOQHMPYHL-FUHWJXTLSA-N 2 0 332.488 3.400 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449074416 310034947 /nfs/dbraw/zinc/03/49/47/310034947.db2.gz BUHMQWNXMKVYBO-NSHDSACASA-N 2 0 336.332 3.171 10 0 EGAERP C[C@@H](Cc1ccoc1)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000449073015 310035029 /nfs/dbraw/zinc/03/50/29/310035029.db2.gz HEYPQIZGUXDJEK-GHTZIAJQSA-N 2 0 341.499 3.179 10 0 EGAERP CSC[C@H](CCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449163355 310041344 /nfs/dbraw/zinc/04/13/44/310041344.db2.gz VVCQFAACDKFESG-INIZCTEOSA-N 2 0 330.582 3.369 10 0 EGAERP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449178279 310042551 /nfs/dbraw/zinc/04/25/51/310042551.db2.gz XLLZWXJCOGKTCB-FFZOFVMBSA-N 2 0 330.516 3.485 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CCCO)CC1 ZINC000449199112 310044051 /nfs/dbraw/zinc/04/40/51/310044051.db2.gz BBTBYKFKVTUMNX-SFHVURJKSA-N 2 0 332.532 3.470 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450396578 310120136 /nfs/dbraw/zinc/12/01/36/310120136.db2.gz WEUNEKWQJCGCGS-CARGZBRESA-N 2 0 327.516 3.192 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC/C=C\c2ccccc2)CC1 ZINC000450396576 310120153 /nfs/dbraw/zinc/12/01/53/310120153.db2.gz WEUNEKWQJCGCGS-ANXBINHXSA-N 2 0 327.516 3.192 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccn(CCc3ccccc3)n2)[C@@H](C)C1 ZINC000450561312 310130257 /nfs/dbraw/zinc/13/02/57/310130257.db2.gz HCICJNDNRWZBEG-GHTZIAJQSA-N 2 0 340.515 3.288 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@H](C)C2(OC)CCOCC2)c1 ZINC000453057542 310254809 /nfs/dbraw/zinc/25/48/09/310254809.db2.gz FPBRBTFGFRPXBP-QGZVFWFLSA-N 2 0 334.504 3.202 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@H](C)C2(OC)CCOCC2)cc1 ZINC000453068619 310255733 /nfs/dbraw/zinc/25/57/33/310255733.db2.gz ASRRRENGXCLXRN-QGZVFWFLSA-N 2 0 334.504 3.202 10 0 EGAERP C[C@@H]([NH2+]CC1(CF)CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453304459 310270043 /nfs/dbraw/zinc/27/00/43/310270043.db2.gz GHLVTIABYRAEAE-MRXNPFEDSA-N 2 0 338.467 3.044 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496400717 311707575 /nfs/dbraw/zinc/70/75/75/311707575.db2.gz GJGHZOIXRWHWNN-XNIRIUNOSA-N 2 0 339.524 3.094 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513003823 312199736 /nfs/dbraw/zinc/19/97/36/312199736.db2.gz KQIKFMMCROJNIH-NOCRFKNCSA-N 2 0 335.923 3.359 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)n1 ZINC000513335578 312207407 /nfs/dbraw/zinc/20/74/07/312207407.db2.gz QMIQNSZTNASZLQ-QFBILLFUSA-N 2 0 331.504 3.265 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@H]2CCC[C@@H]21 ZINC000513697640 312215589 /nfs/dbraw/zinc/21/55/89/312215589.db2.gz PZQYZLOUYJPLPB-QYZOEREBSA-N 2 0 343.446 3.486 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029360 312359544 /nfs/dbraw/zinc/35/95/44/312359544.db2.gz JSIWNBBPKVSCGV-WOJBJXKFSA-N 2 0 327.516 3.115 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC(F)(F)C1 ZINC000529544408 313351587 /nfs/dbraw/zinc/35/15/87/313351587.db2.gz MZKJPERMJFXCIQ-AWEZNQCLSA-N 2 0 338.442 3.167 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529605106 313366771 /nfs/dbraw/zinc/36/67/71/313366771.db2.gz ANTFLQBGLGNVSW-OAHLLOKOSA-N 2 0 338.442 3.037 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@H]2Cc3cc(Cl)ccc3[C@@H]12 ZINC000530208639 313496750 /nfs/dbraw/zinc/49/67/50/313496750.db2.gz GIRLMBHDFCXUSZ-YWCBWXAZSA-N 2 0 327.859 3.491 10 0 EGAERP C[C@@H](CCc1ccccc1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249029 313505148 /nfs/dbraw/zinc/50/51/48/313505148.db2.gz SRNPPIOXDMJUFQ-GHTZIAJQSA-N 2 0 330.516 3.346 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCOc2c(C)cccc21 ZINC000530545653 313553092 /nfs/dbraw/zinc/55/30/92/313553092.db2.gz FSFDNIXUHQEVSS-LJQANCHMSA-N 2 0 334.423 3.498 10 0 EGAERP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000536427945 314113506 /nfs/dbraw/zinc/11/35/06/314113506.db2.gz YAGPPIWMVITSLL-SIKLNZKXSA-N 2 0 339.527 3.388 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1=CC[N@H+](C)CC1 ZINC000540606194 314391905 /nfs/dbraw/zinc/39/19/05/314391905.db2.gz HBTWHENJCNGLDE-LBPRGKRZSA-N 2 0 341.268 3.371 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc(Cl)cc1 ZINC000552247430 315209103 /nfs/dbraw/zinc/20/91/03/315209103.db2.gz OXROUGZCGHYPDB-AKHDSKFASA-N 2 0 335.923 3.405 10 0 EGAERP Cc1ccccc1[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)C ZINC000552946981 315238340 /nfs/dbraw/zinc/23/83/40/315238340.db2.gz DXMAUYJDGGLIDA-OAQYLSRUSA-N 2 0 343.515 3.025 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000562984400 315934849 /nfs/dbraw/zinc/93/48/49/315934849.db2.gz HFUBGYNQGPIXDS-CKEIUWERSA-N 2 0 344.421 3.177 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCSC2)CC1 ZINC000564115622 316114968 /nfs/dbraw/zinc/11/49/68/316114968.db2.gz ODVAOKRNEMAEGQ-SFHVURJKSA-N 2 0 347.572 3.451 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000570836312 317115360 /nfs/dbraw/zinc/11/53/60/317115360.db2.gz FPQGMRSHMVANLM-LJQANCHMSA-N 2 0 348.531 3.261 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000571073806 317148105 /nfs/dbraw/zinc/14/81/05/317148105.db2.gz DCDWLHXQSPDLLX-LJQANCHMSA-N 2 0 348.531 3.261 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC(C)=C[C@H](C)C3)cn2)CC1 ZINC000571334817 317184443 /nfs/dbraw/zinc/18/44/43/317184443.db2.gz UODOYPIQRMGNAV-FXAWDEMLSA-N 2 0 342.531 3.306 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[NH2+]1 ZINC000573545480 317499707 /nfs/dbraw/zinc/49/97/07/317499707.db2.gz HWBINMAZZRHFQJ-RDJZCZTQSA-N 2 0 339.487 3.290 10 0 EGAERP C[N@H+](CCCN[C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000382623711 324253032 /nfs/dbraw/zinc/25/30/32/324253032.db2.gz HHDUOHUPSZMJAO-PWRODBHTSA-N 2 0 329.532 3.409 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000578373066 324959731 /nfs/dbraw/zinc/95/97/31/324959731.db2.gz SOWCFEPRQXCXAY-LPHOPBHVSA-N 2 0 349.563 3.195 10 0 EGAERP Cn1nccc1[C@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000579462254 325113203 /nfs/dbraw/zinc/11/32/03/325113203.db2.gz WWRJRJJUZFYYOB-YBQNFFGRSA-N 2 0 342.531 3.190 10 0 EGAERP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(F)cc1 ZINC000579647354 325138418 /nfs/dbraw/zinc/13/84/18/325138418.db2.gz LKELZTCTQUHKAA-XVSDAANHSA-N 2 0 345.506 3.172 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000582056807 325410354 /nfs/dbraw/zinc/41/03/54/325410354.db2.gz NXGASLXZLVZYPS-JFIYKMOQSA-N 2 0 327.476 3.229 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809350 460569587 /nfs/dbraw/zinc/56/95/87/460569587.db2.gz OFOHIQMRIDNXKH-QAPCUYQASA-N 2 0 328.460 3.009 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCNc2cccc(Br)c2)CC1(C)C ZINC000623487771 460576469 /nfs/dbraw/zinc/57/64/69/460576469.db2.gz SAHLMTKDNQDZHI-OAHLLOKOSA-N 2 0 340.309 3.323 10 0 EGAERP C[N@@H+]1CC[C@H](N[C@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515583 460591597 /nfs/dbraw/zinc/59/15/97/460591597.db2.gz HHKLGJIBLPNAIN-RBUKOAKNSA-N 2 0 339.483 3.052 10 0 EGAERP C[N@@H+]1CC[C@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515582 460591869 /nfs/dbraw/zinc/59/18/69/460591869.db2.gz HHKLGJIBLPNAIN-OALUTQOASA-N 2 0 339.483 3.052 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968845 460598727 /nfs/dbraw/zinc/59/87/27/460598727.db2.gz RUSJVFCJMTZKQM-HNNXBMFYSA-N 2 0 346.302 3.054 10 0 EGAERP C[C@@H](CCc1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000069777292 454143626 /nfs/dbraw/zinc/14/36/26/454143626.db2.gz FZLQPGIORUSOGN-PZJWPPBQSA-N 2 0 329.532 3.110 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3[C@H]4CCO[C@@H]4C34CCCC4)CC2)cc[nH+]1 ZINC000095988026 454253206 /nfs/dbraw/zinc/25/32/06/454253206.db2.gz WBMNZFWPHWZWRA-AQNXPRMDSA-N 2 0 341.499 3.235 10 0 EGAERP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@@H](C)O[C@@H](C)C3)c2)[C@H](C)C1 ZINC000131761353 454283419 /nfs/dbraw/zinc/28/34/19/454283419.db2.gz QXDKOPVXNZVMBE-WIRSXHRWSA-N 2 0 345.531 3.438 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)ccn1 ZINC000132532718 454347174 /nfs/dbraw/zinc/34/71/74/454347174.db2.gz QSEPBDIKJIROJA-PMACEKPBSA-N 2 0 339.483 3.448 10 0 EGAERP CCCC[N@H+](C)CC1CCN(CC(=O)Nc2cccc(C)c2)CC1 ZINC000121492297 454441567 /nfs/dbraw/zinc/44/15/67/454441567.db2.gz QRQCVBITUZYNGD-UHFFFAOYSA-N 2 0 331.504 3.377 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000121647149 454461109 /nfs/dbraw/zinc/46/11/09/454461109.db2.gz WSJKHYNFAQMIKB-GOSISDBHSA-N 3 0 347.547 3.400 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(COC)CC2)CC1 ZINC000093103610 454683000 /nfs/dbraw/zinc/68/30/00/454683000.db2.gz HGQXCKSTYDZXKL-UHFFFAOYSA-N 2 0 345.531 3.077 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000161643729 454710188 /nfs/dbraw/zinc/71/01/88/454710188.db2.gz CVAKTOVGEPKPOY-KVSKMBFKSA-N 2 0 327.472 3.091 10 0 EGAERP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@H]1C ZINC000137645595 454783844 /nfs/dbraw/zinc/78/38/44/454783844.db2.gz OPMQCNUBUFDGFL-AEFFLSMTSA-N 2 0 347.503 3.076 10 0 EGAERP CC(C)c1ccc(CC[NH2+]C[C@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000138042065 454788244 /nfs/dbraw/zinc/78/82/44/454788244.db2.gz AROUADPMKPVUBB-OAQYLSRUSA-N 2 0 331.548 3.214 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)[C@H](C)C1 ZINC000162638775 454790591 /nfs/dbraw/zinc/79/05/91/454790591.db2.gz XPYLUPPLGFCBLE-DYESRHJHSA-N 2 0 346.515 3.202 10 0 EGAERP COCCN1CCC([NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154854463 454936200 /nfs/dbraw/zinc/93/62/00/454936200.db2.gz PULCDQSWLRBNFX-LJQANCHMSA-N 2 0 332.488 3.218 10 0 EGAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182355081 455495800 /nfs/dbraw/zinc/49/58/00/455495800.db2.gz WUKJVSDTSAQWGM-RTBURBONSA-N 2 0 327.472 3.076 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000127770593 454995745 /nfs/dbraw/zinc/99/57/45/454995745.db2.gz RKPQEXKLFIDNGR-QWHCGFSZSA-N 2 0 330.303 3.280 10 0 EGAERP c1c(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)nc2ccccn12 ZINC000264015046 455183191 /nfs/dbraw/zinc/18/31/91/455183191.db2.gz GZVDCZPUDGKJBI-GOSISDBHSA-N 2 0 326.488 3.422 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)[C@@H](C)C1 ZINC000245650565 455347918 /nfs/dbraw/zinc/34/79/18/455347918.db2.gz HGPAVKUCJZERCM-GOEBONIOSA-N 2 0 332.517 3.311 10 0 EGAERP OC[C@@H]1CCCC[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245669380 455352033 /nfs/dbraw/zinc/35/20/33/455352033.db2.gz HFORQWFBEHVEQY-ALGQRKQJSA-N 2 0 328.500 3.323 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCOC)c2)[C@@H](C)C1 ZINC000245723879 455365758 /nfs/dbraw/zinc/36/57/58/455365758.db2.gz IJUCOTPTYZIGLZ-PXNSSMCTSA-N 2 0 334.504 3.264 10 0 EGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(F)c1 ZINC000174252857 455374237 /nfs/dbraw/zinc/37/42/37/455374237.db2.gz HNYIBFFQRVZICF-KRWDZBQOSA-N 2 0 333.495 3.427 10 0 EGAERP C[C@H](c1cn(-c2ccccc2)nn1)N1CC[C@@H](CNc2ccccn2)C1 ZINC000246077880 455422245 /nfs/dbraw/zinc/42/22/45/455422245.db2.gz ZCKFOROGVMKYIP-SJORKVTESA-N 2 0 348.454 3.157 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[NH+]3C[C@H]2C)cc1)C(C)C ZINC000247508722 455613988 /nfs/dbraw/zinc/61/39/88/455613988.db2.gz VRAUUTCHVUVRDW-XLIONFOSSA-N 2 0 343.515 3.226 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)CC[C@H]21 ZINC000248130885 455685094 /nfs/dbraw/zinc/68/50/94/455685094.db2.gz OKIJDDKJXPFNTK-ZWKOTPCHSA-N 2 0 340.471 3.085 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271692885 455725098 /nfs/dbraw/zinc/72/50/98/455725098.db2.gz KPINZGCCIVOFKJ-JXFKEZNVSA-N 2 0 333.495 3.140 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268919939 455730166 /nfs/dbraw/zinc/73/01/66/455730166.db2.gz WKMOGQLROMFRRD-QIJUGHKUSA-N 2 0 338.495 3.394 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C[C@H]2CCC[NH2+]2)C2CC2)cc1)C(C)C ZINC000186561856 455793344 /nfs/dbraw/zinc/79/33/44/455793344.db2.gz NGSHRTHVAVXTER-LJQANCHMSA-N 2 0 343.515 3.274 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@@H]2CCC[C@@H]2C[NH3+])cc1 ZINC000261766744 455943454 /nfs/dbraw/zinc/94/34/54/455943454.db2.gz NZAARRKCWREBLO-SZVBFZGTSA-N 2 0 329.488 3.375 10 0 EGAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261928683 455972874 /nfs/dbraw/zinc/97/28/74/455972874.db2.gz SMDVVDSGAQIGPF-QRQLOZEOSA-N 2 0 329.488 3.388 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@@H](N3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000271238382 456186797 /nfs/dbraw/zinc/18/67/97/456186797.db2.gz DDZIGDAHRXAXNP-OAQYLSRUSA-N 2 0 327.516 3.211 10 0 EGAERP Cc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@@H]2CO)c2cc(F)ccc2[nH+]1 ZINC000301733028 456200504 /nfs/dbraw/zinc/20/05/04/456200504.db2.gz UACVTJIJHRDRNU-IAGOWNOFSA-N 2 0 343.446 3.108 10 0 EGAERP c1ccc(CC[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000271292175 456207847 /nfs/dbraw/zinc/20/78/47/456207847.db2.gz QJGYRPGPVZWMHR-QHCPKHFHSA-N 2 0 349.522 3.121 10 0 EGAERP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297406968 456211612 /nfs/dbraw/zinc/21/16/12/456211612.db2.gz CNZPKKBVSQYGKV-OAHLLOKOSA-N 2 0 336.439 3.404 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@]3(F)CC[N@@H+](C(C)(C)C)C3)n2)cc1 ZINC000290010678 456215218 /nfs/dbraw/zinc/21/52/18/456215218.db2.gz CTAXQHGCLDJMNX-IBGZPJMESA-N 2 0 346.450 3.467 10 0 EGAERP COc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)ccc1OC(C)C ZINC000297566652 456254162 /nfs/dbraw/zinc/25/41/62/456254162.db2.gz QXDKXCRVZOQVEA-UHFFFAOYSA-N 2 0 325.412 3.420 10 0 EGAERP CN1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@H]1c1ccc(F)c(F)c1 ZINC000340289021 456364906 /nfs/dbraw/zinc/36/49/06/456364906.db2.gz UBGJVXPZDVPDMW-RBUKOAKNSA-N 2 0 337.458 3.176 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)[C@H](C)C1 ZINC000282715413 456600959 /nfs/dbraw/zinc/60/09/59/456600959.db2.gz BSJDRGJZXMFDOC-PBHICJAKSA-N 2 0 332.517 3.311 10 0 EGAERP Clc1cc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322113020 456644530 /nfs/dbraw/zinc/64/45/30/456644530.db2.gz PFVSOFPEFMCRIJ-ZBFHGGJFSA-N 2 0 336.863 3.075 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000322107533 456644874 /nfs/dbraw/zinc/64/48/74/456644874.db2.gz NSVQTMVDCMDWPR-GDBMZVCRSA-N 2 0 335.879 3.051 10 0 EGAERP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000343573114 456716202 /nfs/dbraw/zinc/71/62/02/456716202.db2.gz AUWDYZGFJLLYQE-MLYOOKFZSA-N 2 0 349.563 3.124 10 0 EGAERP CCC1(C[NH2+]Cc2nccn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000338335293 456774608 /nfs/dbraw/zinc/77/46/08/456774608.db2.gz ZWTOYWOKHRKZMK-UHFFFAOYSA-N 2 0 326.488 3.202 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341435354 456863610 /nfs/dbraw/zinc/86/36/10/456863610.db2.gz RHINONLEEKYKSN-WSTZPKSXSA-N 2 0 345.531 3.449 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@H]1CCCOc2cc(Cl)ccc21 ZINC000341695660 456903670 /nfs/dbraw/zinc/90/36/70/456903670.db2.gz BTHFBTKINDOICA-RDJZCZTQSA-N 2 0 338.879 3.254 10 0 EGAERP CC[C@@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+](CC)CC ZINC000345799511 456994892 /nfs/dbraw/zinc/99/48/92/456994892.db2.gz NJLHDHDAZGRNAT-IBGZPJMESA-N 2 0 333.520 3.263 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@H]1CCCO1)C1CCCC1 ZINC000346223957 457024739 /nfs/dbraw/zinc/02/47/39/457024739.db2.gz QANKDAAKNLMAJH-HXUWFJFHSA-N 2 0 340.471 3.499 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000354404092 457200917 /nfs/dbraw/zinc/20/09/17/457200917.db2.gz MOLBXWIEYXOGTJ-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP C[C@@H]1C[C@@H](C)[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000397340085 457485990 /nfs/dbraw/zinc/48/59/90/457485990.db2.gz VIXOZUJHURYMGF-MGPQQGTHSA-N 2 0 334.489 3.036 10 0 EGAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000357845534 457708982 /nfs/dbraw/zinc/70/89/82/457708982.db2.gz DOACOQRDWSXDBQ-UEXGIBASSA-N 2 0 345.531 3.367 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ncccc1F ZINC000358343414 457947414 /nfs/dbraw/zinc/94/74/14/457947414.db2.gz HSFIEYLHZVQYGB-QFBILLFUSA-N 2 0 343.446 3.100 10 0 EGAERP CC(C)[NH+](CC[C@H](C)CC[N@H+](C(C)C)[C@H]1CCOC1)[C@@H]1CCOC1 ZINC000411747878 457969287 /nfs/dbraw/zinc/96/92/87/457969287.db2.gz QRYMONWQLGKXSM-ACDBMABISA-N 2 0 340.552 3.401 10 0 EGAERP CC1CC[NH+](CCCCNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000358612274 458108762 /nfs/dbraw/zinc/10/87/62/458108762.db2.gz DQYDRUAAGWJGPG-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000375895935 458112985 /nfs/dbraw/zinc/11/29/85/458112985.db2.gz RCVJAUVGCUDHIH-AITUJVMLSA-N 2 0 346.515 3.345 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000436303910 458285479 /nfs/dbraw/zinc/28/54/79/458285479.db2.gz CQGBENOXPRMYRO-NBMJBFSESA-N 2 0 336.520 3.351 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000459293640 458318482 /nfs/dbraw/zinc/31/84/82/458318482.db2.gz GAIZGEQGFHEKCP-NRFANRHFSA-N 2 0 329.532 3.315 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1csc(Cl)c1 ZINC000423505398 458446619 /nfs/dbraw/zinc/44/66/19/458446619.db2.gz HPQKCKBALUUDGR-LRVUVFPRSA-N 2 0 327.925 3.269 10 0 EGAERP [NH3+]C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512104 458447652 /nfs/dbraw/zinc/44/76/52/458447652.db2.gz UODMSAMUIJMLPS-BURNTYAHSA-N 2 0 327.516 3.289 10 0 EGAERP COc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C(C)C)cc1 ZINC000423520637 458450005 /nfs/dbraw/zinc/45/00/05/458450005.db2.gz RSESKOZAADWFHB-GZNCHQMQSA-N 2 0 345.531 3.198 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527082 458452448 /nfs/dbraw/zinc/45/24/48/458452448.db2.gz MBRMULPWGZKUFW-VBCSQTKFSA-N 2 0 332.532 3.325 10 0 EGAERP C[C@@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH3+] ZINC000437772658 458491074 /nfs/dbraw/zinc/49/10/74/458491074.db2.gz KGMGOCUJJRIFJK-VIFPVBQESA-N 2 0 337.773 3.014 10 0 EGAERP COC[C@@H]1CCC[NH+]([C@@H](C)CC[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110804 458495272 /nfs/dbraw/zinc/49/52/72/458495272.db2.gz ZZXOUMNMNWHODZ-XUVXKRRUSA-N 2 0 340.552 3.262 10 0 EGAERP C[C@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC000468773326 458534483 /nfs/dbraw/zinc/53/44/83/458534483.db2.gz AUCWQIKZQNQEKO-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCCOc1ccccc1 ZINC000438113956 458536057 /nfs/dbraw/zinc/53/60/57/458536057.db2.gz CYMFNZNIDVYVTB-HOJAQTOUSA-N 2 0 332.488 3.029 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562322 458589129 /nfs/dbraw/zinc/58/91/29/458589129.db2.gz BVEPJWDBZIRATI-PMACEKPBSA-N 2 0 345.531 3.450 10 0 EGAERP CCc1ccc(C[NH+]2CCN(CC[C@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000472569318 458801529 /nfs/dbraw/zinc/80/15/29/458801529.db2.gz ZBFXSTAUYTWVAB-QGZVFWFLSA-N 2 0 335.561 3.303 10 0 EGAERP C[C@@H](CCc1n[nH]c2ccccc21)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475555414 458951440 /nfs/dbraw/zinc/95/14/40/458951440.db2.gz LWKBCEJIDSKEKB-GTPINHCMSA-N 2 0 326.488 3.491 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)C2)c1 ZINC000556868554 459024123 /nfs/dbraw/zinc/02/41/23/459024123.db2.gz YYDTZGBYMHYSGQ-DVWBAYGPSA-N 2 0 343.515 3.126 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502114 459065627 /nfs/dbraw/zinc/06/56/27/459065627.db2.gz FJCHOIYHKHWYOM-BEFAXECRSA-N 2 0 330.472 3.172 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000594506753 459066994 /nfs/dbraw/zinc/06/69/94/459066994.db2.gz XTTMXAXHTDXICE-PHSGOXPASA-N 2 0 328.456 3.065 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCOCc2ccc(OC)cc2)CC1 ZINC000594724456 459142051 /nfs/dbraw/zinc/14/20/51/459142051.db2.gz STHHZUPRAJHGIM-UHFFFAOYSA-N 2 0 334.504 3.266 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000558652245 459188866 /nfs/dbraw/zinc/18/88/66/459188866.db2.gz HZVKPPRNWQEADA-MSOLQXFVSA-N 2 0 343.515 3.019 10 0 EGAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2ccc(F)cc21 ZINC000521921853 459194101 /nfs/dbraw/zinc/19/41/01/459194101.db2.gz SPXAJGLCHWCBAF-CEXWTWQISA-N 2 0 329.463 3.322 10 0 EGAERP Cc1c[nH+]ccc1N1CCC(c2nc(-c3ccc(C[NH3+])cc3)no2)CC1 ZINC000568509507 459299785 /nfs/dbraw/zinc/29/97/85/459299785.db2.gz MSOGDYFPQRAIRK-UHFFFAOYSA-N 2 0 349.438 3.283 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CCCc2cccc(C)c2)CC1 ZINC000483212312 459351650 /nfs/dbraw/zinc/35/16/50/459351650.db2.gz JQMOPESUXWDNFT-UHFFFAOYSA-N 2 0 325.456 3.153 10 0 EGAERP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)[NH+](C)C)cc1 ZINC000560531869 459367626 /nfs/dbraw/zinc/36/76/26/459367626.db2.gz FWQYRBIEWUCNLC-WOZUAGRISA-N 2 0 329.532 3.314 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000582841668 459437834 /nfs/dbraw/zinc/43/78/34/459437834.db2.gz UTNSCDJKUXLDQG-IBGZPJMESA-N 2 0 346.515 3.014 10 0 EGAERP Oc1cccc2c1CC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583198071 459500474 /nfs/dbraw/zinc/50/04/74/459500474.db2.gz CUSOKNPIYPHNCW-WFXMLNOXSA-N 2 0 336.435 3.225 10 0 EGAERP C[C@@H]1CC[N@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000562495784 459573149 /nfs/dbraw/zinc/57/31/49/459573149.db2.gz SYYQIVHUTSINLS-WLRLJWMZSA-N 2 0 327.516 3.113 10 0 EGAERP COC(=O)[C@@H](C)C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000592493894 459612881 /nfs/dbraw/zinc/61/28/81/459612881.db2.gz HRAPXJOWGLOCDY-KRWDZBQOSA-N 2 0 332.488 3.078 10 0 EGAERP COC(=O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595661 459689981 /nfs/dbraw/zinc/68/99/81/459689981.db2.gz ULCCLOQWTWHPTJ-FQEVSTJZSA-N 2 0 344.499 3.172 10 0 EGAERP CCOc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(F)cc1OC ZINC000527680849 459698074 /nfs/dbraw/zinc/69/80/74/459698074.db2.gz DLDDVGCKAIGUAQ-UHFFFAOYSA-N 2 0 338.467 3.443 10 0 EGAERP Cc1ccccc1-c1nc(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)no1 ZINC000584404994 459728934 /nfs/dbraw/zinc/72/89/34/459728934.db2.gz GOXPUAROEXURJX-OAHLLOKOSA-N 2 0 326.444 3.009 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)cn1 ZINC000527988516 459789133 /nfs/dbraw/zinc/78/91/33/459789133.db2.gz SWRXNONBILVABL-VQIMIIECSA-N 2 0 331.504 3.265 10 0 EGAERP CC1=CCN(CC[NH2+]C2CCN(CCc3ccc(F)cc3)CC2)CC1 ZINC000545159534 459804808 /nfs/dbraw/zinc/80/48/08/459804808.db2.gz OYRKGJWVUHTQDJ-UHFFFAOYSA-N 2 0 345.506 3.074 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043694 460168447 /nfs/dbraw/zinc/16/84/47/460168447.db2.gz IBJQMLZJQKDMPU-OAHLLOKOSA-N 2 0 330.394 3.428 10 0 EGAERP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]2CCC[C@@H]21 ZINC000599654137 460300117 /nfs/dbraw/zinc/30/01/17/460300117.db2.gz LWEWAAZNJDPIIB-QRVBRYPASA-N 2 0 339.439 3.036 10 0 EGAERP [NH3+]C1(c2noc([C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C3CC3)n2)CCC1 ZINC000634556146 460419299 /nfs/dbraw/zinc/41/92/99/460419299.db2.gz IAKMQOQNHBVIFQ-DLBZAZTESA-N 2 0 338.455 3.033 10 0 EGAERP CCC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(C)ccn1 ZINC000631578544 460454351 /nfs/dbraw/zinc/45/43/51/460454351.db2.gz VRKVKSRDWFFIGQ-LJQANCHMSA-N 2 0 332.536 3.094 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)C2)c1 ZINC000623423833 460540747 /nfs/dbraw/zinc/54/07/47/460540747.db2.gz TVZYSCXMNCVMKX-SJORKVTESA-N 2 0 331.504 3.126 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)CC1(C)C ZINC000623423512 460541560 /nfs/dbraw/zinc/54/15/60/460541560.db2.gz IURCPALEGOPIAI-HNNXBMFYSA-N 2 0 325.294 3.454 10 0 EGAERP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1F ZINC000629532392 460797972 /nfs/dbraw/zinc/79/79/72/460797972.db2.gz YPYHLTXJUBADRQ-MVWJERBFSA-N 2 0 345.231 3.205 10 0 EGAERP CC[C@@H]([NH2+]CCOCC[NH2+]C)c1ccc(Br)cc1Cl ZINC000629530766 460798285 /nfs/dbraw/zinc/79/82/85/460798285.db2.gz QLVWESJNHBELPF-CQSZACIVSA-N 2 0 349.700 3.379 10 0 EGAERP Cc1cccc([C@@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)C)c1 ZINC000629574261 460813644 /nfs/dbraw/zinc/81/36/44/460813644.db2.gz DLLGWIFOIIQXDP-ACRUOGEOSA-N 2 0 326.484 3.213 10 0 EGAERP C[C@@H]1C[C@@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)CC[NH2+]1 ZINC000629671939 460859889 /nfs/dbraw/zinc/85/98/89/460859889.db2.gz KRNPDCFBGSLKTD-NEPJUHHUSA-N 2 0 341.268 3.334 10 0 EGAERP C[NH2+][C@@H](CO)c1cccc(-c2cc(C[NH+]3CCCC3)ccc2F)c1 ZINC000629703144 460877103 /nfs/dbraw/zinc/87/71/03/460877103.db2.gz ZWXCDGLKRLFHEF-FQEVSTJZSA-N 2 0 328.431 3.341 10 0 EGAERP Cc1cc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)ncc1Br ZINC000628183447 461035132 /nfs/dbraw/zinc/03/51/32/461035132.db2.gz BVWDQFRBATZTNV-OCCSQVGLSA-N 2 0 326.282 3.067 10 0 EGAERP C[N@H+](CCN1CC[NH+](C[C@@]2(C)CCCS2)CC1)Cc1ccccc1 ZINC000628163667 461026904 /nfs/dbraw/zinc/02/69/04/461026904.db2.gz NATWEEBMDIXGNS-HXUWFJFHSA-N 2 0 347.572 3.022 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC3CC3)c2)[C@H](C)C1 ZINC000628182658 461034979 /nfs/dbraw/zinc/03/49/79/461034979.db2.gz CPROKZJPSDQRKG-CRAIPNDOSA-N 2 0 332.488 3.399 10 0 EGAERP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662251064 461145433 /nfs/dbraw/zinc/14/54/33/461145433.db2.gz XIIBRAWZVIEXHF-IUODEOHRSA-N 2 0 328.378 3.219 10 0 EGAERP c1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662260766 461148709 /nfs/dbraw/zinc/14/87/09/461148709.db2.gz CFAHHVFCWHCCAP-LJQANCHMSA-N 2 0 341.543 3.420 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280055 461162616 /nfs/dbraw/zinc/16/26/16/461162616.db2.gz BXDSYFNLKRIEJM-BBRMVZONSA-N 2 0 326.843 3.287 10 0 EGAERP c1ccc(C[C@@H]2c3ccccc3CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662279513 461163681 /nfs/dbraw/zinc/16/36/81/461163681.db2.gz KUANLRCBOXZTHJ-RBBKRZOGSA-N 2 0 348.490 3.350 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCSc3ccc(F)cc3)CC2)C1 ZINC000662282429 461166405 /nfs/dbraw/zinc/16/64/05/461166405.db2.gz UUCZGFUYQWAQKI-SJLPKXTDSA-N 2 0 338.492 3.136 10 0 EGAERP C[C@@H](CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)OCc1ccccc1 ZINC000662321895 461193676 /nfs/dbraw/zinc/19/36/76/461193676.db2.gz FTFYAEMMHURLMU-AZUAARDMSA-N 2 0 334.504 3.024 10 0 EGAERP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122057 461256552 /nfs/dbraw/zinc/25/65/52/461256552.db2.gz KJAFNZBQZOUCJE-VQTJNVASSA-N 2 0 327.516 3.321 10 0 EGAERP CC(C)[C@@H](O)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668686918 461383000 /nfs/dbraw/zinc/38/30/00/461383000.db2.gz AMKQYQXXGRXPNC-NHCUHLMSSA-N 2 0 339.483 3.398 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806234 461466514 /nfs/dbraw/zinc/46/65/14/461466514.db2.gz RXKHZSZVNMFZTM-TXPKVOOTSA-N 2 0 331.504 3.457 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C1CC1)[C@@H]1CCCCO1 ZINC000655812535 461470292 /nfs/dbraw/zinc/47/02/92/461470292.db2.gz QHYVSMDXIXIYOF-OALUTQOASA-N 2 0 326.444 3.013 10 0 EGAERP CC[N@H+](CCO[C@H]1CC1(F)F)CC1CCN(c2ccccn2)CC1 ZINC000659973845 461524642 /nfs/dbraw/zinc/52/46/42/461524642.db2.gz VODAQSDVIKNHRC-INIZCTEOSA-N 2 0 339.430 3.044 10 0 EGAERP CSc1cccc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000659974996 461525852 /nfs/dbraw/zinc/52/58/52/461525852.db2.gz SVMOUOHEDNYHDI-UHFFFAOYSA-N 2 0 334.529 3.485 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCc3c(F)cccc3F)CC2)C1 ZINC000655940654 461547501 /nfs/dbraw/zinc/54/75/01/461547501.db2.gz VHXASQAJLBZQQP-DNVCBOLYSA-N 2 0 338.442 3.116 10 0 EGAERP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCC(C[NH+](C)C)CC2)o1 ZINC000647196078 461557162 /nfs/dbraw/zinc/55/71/62/461557162.db2.gz OFYGVWROQLUSEY-UHFFFAOYSA-N 2 0 330.476 3.199 10 0 EGAERP COc1ccccc1C1([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000647233184 461577323 /nfs/dbraw/zinc/57/73/23/461577323.db2.gz ZIYBTOASHZHCKQ-UHFFFAOYSA-N 2 0 340.467 3.415 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000647249320 461587918 /nfs/dbraw/zinc/58/79/18/461587918.db2.gz RMFRXAUPYDPFPM-NCOADZHNSA-N 2 0 342.405 3.031 10 0 EGAERP Cc1nc2ccccn2c1C[NH2+]C[C@@H]1C[N@@H+](C)C[C@H]1c1ccccc1 ZINC000647248816 461589753 /nfs/dbraw/zinc/58/97/53/461589753.db2.gz IHNFGSZBNDLTMG-MOPGFXCFSA-N 2 0 334.467 3.078 10 0 EGAERP Cc1scc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1C ZINC000631162744 461601236 /nfs/dbraw/zinc/60/12/36/461601236.db2.gz GCRXMBKWZCYEKD-UHFFFAOYSA-N 2 0 344.524 3.482 10 0 EGAERP C[C@H]1C[C@H](C[N@@H+]2CCOc3cccc(Br)c3C2)CC[NH2+]1 ZINC000656194030 461640782 /nfs/dbraw/zinc/64/07/82/461640782.db2.gz BVVOLAVJDOSLBO-QWHCGFSZSA-N 2 0 339.277 3.032 10 0 EGAERP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201267 461646435 /nfs/dbraw/zinc/64/64/35/461646435.db2.gz MTQIZKJPYANQDQ-VPWXQRGCSA-N 2 0 332.488 3.283 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c1 ZINC000647480404 461726712 /nfs/dbraw/zinc/72/67/12/461726712.db2.gz MHSBACBUFSYVGY-UYAOXDASSA-N 2 0 332.488 3.066 10 0 EGAERP COc1cc2cc[nH+]c(N3CC[C@@H](C[NH+]4CCCC4)C3)c2cc1OC ZINC000663646827 461732932 /nfs/dbraw/zinc/73/29/32/461732932.db2.gz HJTDPHGBPQRDNX-HNNXBMFYSA-N 2 0 341.455 3.174 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)nc(C)c2Br)[C@H](C)C1 ZINC000663658559 461738926 /nfs/dbraw/zinc/73/89/26/461738926.db2.gz MWXMRUPGTZOVBD-ZWNOBZJWSA-N 2 0 341.297 3.022 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc(C[C@@H]3[NH2+]Cc4ccccc43)n2)cc1 ZINC000656560008 461785267 /nfs/dbraw/zinc/78/52/67/461785267.db2.gz FBNRPKOQVDBWRC-SFHVURJKSA-N 2 0 334.423 3.185 10 0 EGAERP c1nc(-c2ccccn2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786532 461898485 /nfs/dbraw/zinc/89/84/85/461898485.db2.gz UDDPEWIVUIKHEY-MRXNPFEDSA-N 2 0 342.512 3.417 10 0 EGAERP CSc1cc(Br)ccc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650712775 461905473 /nfs/dbraw/zinc/90/54/73/461905473.db2.gz UAUMSJPZEFJURO-UHFFFAOYSA-N 2 0 329.307 3.390 10 0 EGAERP c1cc(C[NH2+]CCCOCCc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657316733 462041596 /nfs/dbraw/zinc/04/15/96/462041596.db2.gz KNYWFYRQZUAEOU-UHFFFAOYSA-N 2 0 336.439 3.006 10 0 EGAERP c1ccc2c(c1)CCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000648457653 462128345 /nfs/dbraw/zinc/12/83/45/462128345.db2.gz WZDZQPSOMQHCGC-LAUBAEHRSA-N 2 0 328.500 3.025 10 0 EGAERP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536903 462171688 /nfs/dbraw/zinc/17/16/88/462171688.db2.gz TYCYKNUZNMFBFP-HNAYVOBHSA-N 2 0 332.488 3.384 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000657597025 462199311 /nfs/dbraw/zinc/19/93/11/462199311.db2.gz QTVQONXEHDBIIN-KKSFZXQISA-N 2 0 342.458 3.286 10 0 EGAERP c1cc(C[N@H+]2CC[C@H](COCc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667671733 462204903 /nfs/dbraw/zinc/20/49/03/462204903.db2.gz ZVDMISDXTUXRNI-IBGZPJMESA-N 2 0 348.450 3.306 10 0 EGAERP Cc1nn(C)cc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772305 462259105 /nfs/dbraw/zinc/25/91/05/462259105.db2.gz LQLNDRCQHHORFZ-FQEVSTJZSA-N 2 0 338.499 3.120 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)O1 ZINC000657773400 462261019 /nfs/dbraw/zinc/26/10/19/462261019.db2.gz RHVIWQPYXGZRBU-LFGUQSLTSA-N 2 0 328.500 3.444 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3[C@@H]4CCC[C@@H]4C3(C)C)cn2)CC1 ZINC000657839692 462292038 /nfs/dbraw/zinc/29/20/38/462292038.db2.gz ZBBPHSRMTUDKDQ-WSTZPKSXSA-N 2 0 342.531 3.138 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000658036983 462353679 /nfs/dbraw/zinc/35/36/79/462353679.db2.gz SSAQXLRMMMCXNT-HSALFYBXSA-N 2 0 342.527 3.428 10 0 EGAERP C[C@H](NC[C@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658053959 462360025 /nfs/dbraw/zinc/36/00/25/462360025.db2.gz CDZBJFWDAAHRBV-DFQSSKMNSA-N 2 0 329.532 3.359 10 0 EGAERP [NH3+]CC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000665276638 462379618 /nfs/dbraw/zinc/37/96/18/462379618.db2.gz IZWDFXMDSBHKPW-CKHPTIKVSA-N 3 0 341.543 3.396 10 0 EGAERP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277267 462381593 /nfs/dbraw/zinc/38/15/93/462381593.db2.gz XWUWDBWZBWHBRH-HMXCVIKNSA-N 2 0 341.543 3.409 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000665282101 462382702 /nfs/dbraw/zinc/38/27/02/462382702.db2.gz QUNOFSXGSPUZJQ-BQJUDKOJSA-N 3 0 329.532 3.393 10 0 EGAERP CCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCCCC1 ZINC000665285072 462384504 /nfs/dbraw/zinc/38/45/04/462384504.db2.gz BVIIGJVGAXGCPB-IBGZPJMESA-N 2 0 337.552 3.316 10 0 EGAERP Cc1nc(C(C)C)sc1[C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658109792 462390338 /nfs/dbraw/zinc/39/03/38/462390338.db2.gz XOQKTZMKEJECQM-GJZGRUSLSA-N 2 0 340.581 3.498 10 0 EGAERP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)[C@@H]2CCC[C@@H]21 ZINC000658137403 462400055 /nfs/dbraw/zinc/40/00/55/462400055.db2.gz KRSRCVSQJJVPAO-ZGXWSNOMSA-N 2 0 328.500 3.168 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)o1 ZINC000658137612 462402279 /nfs/dbraw/zinc/40/22/79/462402279.db2.gz KNTQILKJNJGPSS-BEFAXECRSA-N 2 0 328.456 3.314 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143125 462405209 /nfs/dbraw/zinc/40/52/09/462405209.db2.gz WSZXKIPRODJPJI-UTKZUKDTSA-N 2 0 340.442 3.169 10 0 EGAERP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658143214 462407107 /nfs/dbraw/zinc/40/71/07/462407107.db2.gz XRUUNNDLIRSCEH-UGSOOPFHSA-N 2 0 345.512 3.177 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000652150395 462451673 /nfs/dbraw/zinc/45/16/73/462451673.db2.gz VFLXILLKRNPOTE-INIZCTEOSA-N 2 0 339.886 3.084 10 0 EGAERP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)cc2)n1 ZINC000649415314 462503098 /nfs/dbraw/zinc/50/30/98/462503098.db2.gz UPMCDRGFFQUXIQ-PZJWPPBQSA-N 2 0 338.499 3.453 10 0 EGAERP Cc1c(C)c(C)c(C[NH+]2CCC([N@@H+]3CC[C@@H](O)C3)CC2)c(C)c1C ZINC000662159398 462532877 /nfs/dbraw/zinc/53/28/77/462532877.db2.gz ZRFYEJRNMTYVGZ-HXUWFJFHSA-N 2 0 330.516 3.260 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130484036 529143803 /nfs/dbraw/zinc/14/38/03/529143803.db2.gz HFNOPCVMNUXISO-SFTDATJTSA-N 2 0 329.532 3.330 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC(F)F ZINC000353439802 536897448 /nfs/dbraw/zinc/89/74/48/536897448.db2.gz IXCXNFHJWRFDMM-RRFJBIMHSA-N 2 0 340.414 3.259 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@@H]1c1cccs1 ZINC000166698070 546990033 /nfs/dbraw/zinc/99/00/33/546990033.db2.gz DXWSEZKRTLFARP-YWTNHNAXSA-N 2 0 333.545 3.347 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000340474452 547581563 /nfs/dbraw/zinc/58/15/63/547581563.db2.gz RVWXSJOQTHLLSQ-YLJYHZDGSA-N 2 0 341.503 3.221 10 0 EGAERP COc1cc2cc[nH+]c(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OC ZINC000392426814 547831927 /nfs/dbraw/zinc/83/19/27/547831927.db2.gz WYZCINONKJSYNO-GJZGRUSLSA-N 2 0 327.428 3.291 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683833261 550267053 /nfs/dbraw/zinc/26/70/53/550267053.db2.gz VKNOLCVDWAKDSA-FQEVSTJZSA-N 2 0 327.472 3.168 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817941 1292736135 /nfs/dbraw/zinc/73/61/35/1292736135.db2.gz LCVOWQJHALCINM-XJKSGUPXSA-N 2 0 325.294 3.454 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000098173158 1292965436 /nfs/dbraw/zinc/96/54/36/1292965436.db2.gz CTUGOZIRLOQDKZ-OAHLLOKOSA-N 2 0 330.394 3.449 10 0 EGAERP Cc1ccc(-c2ccc(C[NH2+]C[C@@H](C)N3CC[NH+](C)CC3)s2)cc1 ZINC000105464923 1293038665 /nfs/dbraw/zinc/03/86/65/1293038665.db2.gz CELYUORYNZTCNL-QGZVFWFLSA-N 2 0 343.540 3.449 10 0 EGAERP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000169789839 1294372986 /nfs/dbraw/zinc/37/29/86/1294372986.db2.gz BUMGRXBXNYVOEL-OAHLLOKOSA-N 2 0 340.870 3.269 10 0 EGAERP CC(C)(C)OC(=O)N1CCC[C@@H]([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC000183424664 1295118495 /nfs/dbraw/zinc/11/84/95/1295118495.db2.gz WEPUYIIXGRNUGQ-QGZVFWFLSA-N 2 0 339.524 3.242 10 0 EGAERP CCCCC[C@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000870020498 1295599065 /nfs/dbraw/zinc/59/90/65/1295599065.db2.gz RHSIJAYSHQYWJL-QRVBRYPASA-N 2 0 339.568 3.037 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000235318801 1296185014 /nfs/dbraw/zinc/18/50/14/1296185014.db2.gz MUNBEGOVTVEYGX-NFAWXSAZSA-N 2 0 325.294 3.297 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C[C@H](C)O1 ZINC000872044536 1296695144 /nfs/dbraw/zinc/69/51/44/1296695144.db2.gz BZJNMNRUPMTYJG-XMTFNYHQSA-N 2 0 326.525 3.059 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@H](C)O1 ZINC000872044535 1296695662 /nfs/dbraw/zinc/69/56/62/1296695662.db2.gz BZJNMNRUPMTYJG-XDNAFOTISA-N 2 0 326.525 3.059 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000872048850 1296699002 /nfs/dbraw/zinc/69/90/02/1296699002.db2.gz MTGUQQLGPSXERJ-FVQBIDKESA-N 2 0 336.442 3.465 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(N2CCCCC2)cc1 ZINC000872155185 1296773363 /nfs/dbraw/zinc/77/33/63/1296773363.db2.gz GGYDFFPDSXBCLN-UHFFFAOYSA-N 2 0 346.519 3.066 10 0 EGAERP CN(C(=O)OC(C)(C)C)C1CCC([NH2+]C[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000302112123 1296798788 /nfs/dbraw/zinc/79/87/88/1296798788.db2.gz PKJLRPIXAPSDCY-GTPINHCMSA-N 2 0 339.524 3.096 10 0 EGAERP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1C ZINC000872227439 1296831496 /nfs/dbraw/zinc/83/14/96/1296831496.db2.gz DWHBZCWGSJPKSL-OBXNSHGQSA-N 2 0 348.531 3.204 10 0 EGAERP c1cnc2cccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000873135433 1297291791 /nfs/dbraw/zinc/29/17/91/1297291791.db2.gz WNYNOEIPOFBAQE-UHFFFAOYSA-N 2 0 339.483 3.215 10 0 EGAERP OC1(C[NH2+]CCCc2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397624306 1297701219 /nfs/dbraw/zinc/70/12/19/1297701219.db2.gz JZPCKIBONFXQPP-UHFFFAOYSA-N 2 0 338.495 3.236 10 0 EGAERP O=C1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397656651 1297702931 /nfs/dbraw/zinc/70/29/31/1297702931.db2.gz YMZOSRNUYRARJX-BGYRXZFFSA-N 2 0 326.484 3.485 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)Cc1ccc(Br)cc1)C1CC[NH2+]CC1 ZINC000400701585 1297731617 /nfs/dbraw/zinc/73/16/17/1297731617.db2.gz BXUKZHOALRJGGP-QWHCGFSZSA-N 2 0 325.294 3.358 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709994713 1298254005 /nfs/dbraw/zinc/25/40/05/1298254005.db2.gz DSKFECRMPSGLQX-WMLDXEAASA-N 2 0 337.305 3.456 10 0 EGAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@H]4C[C@@]45CCOC5)C3)C2)cc1 ZINC000886202842 1303393434 /nfs/dbraw/zinc/39/34/34/1303393434.db2.gz GGUGWMFKHLEZCM-QHAWAJNXSA-N 2 0 326.484 3.011 10 0 EGAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](C[C@H]4C[C@]45CCOC5)C3)CC2)cc1 ZINC000886214969 1303396715 /nfs/dbraw/zinc/39/67/15/1303396715.db2.gz APLYYIOEEPCOIW-IRLDBZIGSA-N 2 0 340.511 3.401 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc[nH]1 ZINC000894366047 1306361824 /nfs/dbraw/zinc/36/18/24/1306361824.db2.gz KKPLNCJYYIEJFB-NSHDSACASA-N 2 0 337.370 3.249 10 0 EGAERP COC(=O)C(C)(C)CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894740186 1309045595 /nfs/dbraw/zinc/04/55/95/1309045595.db2.gz FZYQPGQXNPYJMV-FHWLQOOXSA-N 2 0 344.499 3.218 10 0 EGAERP COc1cc(C)cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000894779702 1309065606 /nfs/dbraw/zinc/06/56/06/1309065606.db2.gz MGNDKTIFGKEVBC-KRWDZBQOSA-N 2 0 332.488 3.176 10 0 EGAERP Cc1ccc(C2=NO[C@H](CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc1C ZINC000895501639 1309375249 /nfs/dbraw/zinc/37/52/49/1309375249.db2.gz INXJYOHNIXXDQO-MSOLQXFVSA-N 2 0 329.488 3.259 10 0 EGAERP COCC1(CNc2ccc(N3CC[N@@H+]4CCC[C@H]4C3)cc2)CCC1 ZINC000895647108 1309447291 /nfs/dbraw/zinc/44/72/91/1309447291.db2.gz LYCRYCMBHUAYCW-IBGZPJMESA-N 2 0 329.488 3.200 10 0 EGAERP CCC1([NH+]2CCC2)CCN(Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000895828533 1309542726 /nfs/dbraw/zinc/54/27/26/1309542726.db2.gz WLSHCLDOHNROBB-UHFFFAOYSA-N 2 0 345.531 3.077 10 0 EGAERP O=C(Nc1ccc(C[NH+]2CCCCCC2)cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895911616 1309590463 /nfs/dbraw/zinc/59/04/63/1309590463.db2.gz RTXJZYGOFHHXAM-NRFANRHFSA-N 2 0 341.499 3.487 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]CC[C@@H]4CCOC4)CC[C@@H]3C2)cc1 ZINC000898518424 1310774384 /nfs/dbraw/zinc/77/43/84/1310774384.db2.gz ILKGQZFWYMIGQR-MXEMCNAFSA-N 2 0 328.500 3.303 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000858194619 1328708553 /nfs/dbraw/zinc/70/85/53/1328708553.db2.gz ICRFKZSSAVEAQZ-DOMZBBRYSA-N 2 0 331.287 3.489 10 0 EGAERP CC(C)[NH2+]C1CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000929960071 1328750189 /nfs/dbraw/zinc/75/01/89/1328750189.db2.gz ACWUIUNGDQLAPB-WBVHZDCISA-N 2 0 339.524 3.142 10 0 EGAERP C(CC1CC[NH+](CCOC2CCSCC2)CC1)C[NH+]1CCCC1 ZINC000930080169 1328780195 /nfs/dbraw/zinc/78/01/95/1328780195.db2.gz SMNFAWASEMMBAC-UHFFFAOYSA-N 2 0 340.577 3.487 10 0 EGAERP Cn1nc2c(c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)CCC2 ZINC000921507875 1322333191 /nfs/dbraw/zinc/33/31/91/1322333191.db2.gz STOINAJWCLVQRG-UHFFFAOYSA-N 2 0 338.499 3.185 10 0 EGAERP CC1CC[NH+](Cc2cccc(C[NH2+]Cc3cc[nH]c(=O)c3)c2)CC1 ZINC000921689983 1322378734 /nfs/dbraw/zinc/37/87/34/1322378734.db2.gz XERFWWJKCWGUAT-UHFFFAOYSA-N 2 0 325.456 3.309 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)cnc2Cl)[C@@H](C)C1 ZINC000921747350 1322390263 /nfs/dbraw/zinc/39/02/63/1322390263.db2.gz NKZILUNPIUUHAK-RDJZCZTQSA-N 2 0 339.911 3.270 10 0 EGAERP C[C@H]1C[C@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000921928224 1322424151 /nfs/dbraw/zinc/42/41/51/1322424151.db2.gz SFYLPSCTUIDYBQ-LPHOPBHVSA-N 2 0 325.456 3.178 10 0 EGAERP CC(C)[C@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC000922388030 1322516339 /nfs/dbraw/zinc/51/63/39/1322516339.db2.gz NQFWOTWGGNBOJK-HNBVOPMISA-N 2 0 328.456 3.002 10 0 EGAERP CCCC[N@H+](C[C@@H]1C[C@H]2COC[C@@H]2O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033557 1329033995 /nfs/dbraw/zinc/03/39/95/1329033995.db2.gz IESVFCZPFUDLDE-SZMVWBNQSA-N 2 0 338.536 3.202 10 0 EGAERP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449544 1322753679 /nfs/dbraw/zinc/75/36/79/1322753679.db2.gz OWFJJBGLEKXWSA-GXTWGEPZSA-N 2 0 326.843 3.370 10 0 EGAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@@H]1C[NH3+] ZINC000923500398 1322762338 /nfs/dbraw/zinc/76/23/38/1322762338.db2.gz PXSSPSRKNFMSGT-DOTOQJQBSA-N 2 0 325.456 3.085 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@H]1C[NH3+] ZINC000923501467 1322763970 /nfs/dbraw/zinc/76/39/70/1322763970.db2.gz USNYCZZFHAYVDL-LPHOPBHVSA-N 2 0 337.467 3.356 10 0 EGAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924577148 1323060768 /nfs/dbraw/zinc/06/07/68/1323060768.db2.gz CJNVQTSMTMMJOR-GFCCVEGCSA-N 2 0 335.439 3.055 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924663060 1323101658 /nfs/dbraw/zinc/10/16/58/1323101658.db2.gz UJCNNZBGXHSXSY-CYBMUJFWSA-N 2 0 349.466 3.445 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)c3ccns3)cc2)CC1 ZINC000924692682 1323115415 /nfs/dbraw/zinc/11/54/15/1323115415.db2.gz QHXZEQATBLTGSY-INIZCTEOSA-N 2 0 344.528 3.131 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000924941577 1323223332 /nfs/dbraw/zinc/22/33/32/1323223332.db2.gz YJEYORUAJFPFQU-FCEUIQTBSA-N 2 0 342.527 3.346 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnnn2-c2ccccc2)CC1 ZINC000924955115 1323226907 /nfs/dbraw/zinc/22/69/07/1323226907.db2.gz LLXYJZLCYCMQSS-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1csc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000924964971 1323229716 /nfs/dbraw/zinc/22/97/16/1323229716.db2.gz MLBHBMLEIITINV-VXGBXAGGSA-N 2 0 335.439 3.053 10 0 EGAERP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000931355513 1329101150 /nfs/dbraw/zinc/10/11/50/1329101150.db2.gz SUNXWQKJPOYILM-CVEARBPZSA-N 2 0 339.524 3.096 10 0 EGAERP CC1(C)[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492747 1325174929 /nfs/dbraw/zinc/17/49/29/1325174929.db2.gz ICOLWZBBMSWLRA-XYVMCAHJSA-N 2 0 333.545 3.251 10 0 EGAERP COc1ccccc1[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500496 1325179458 /nfs/dbraw/zinc/17/94/58/1325179458.db2.gz CYLQJWLIMOYAQM-SCTDSRPQSA-N 2 0 345.531 3.328 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C12CCC2 ZINC000925505551 1325181921 /nfs/dbraw/zinc/18/19/21/1325181921.db2.gz TUWNZERUYWTGHT-IAGOWNOFSA-N 2 0 334.891 3.248 10 0 EGAERP COc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)ccc1OC(F)F ZINC000925510897 1325184779 /nfs/dbraw/zinc/18/47/79/1325184779.db2.gz BHOGMOXXLLWUFQ-QWHCGFSZSA-N 2 0 328.403 3.292 10 0 EGAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515996 1325186752 /nfs/dbraw/zinc/18/67/52/1325186752.db2.gz QWSDUFOPWYIHCA-UGFHNGPFSA-N 2 0 339.277 3.076 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515995 1325187199 /nfs/dbraw/zinc/18/71/99/1325187199.db2.gz QWSDUFOPWYIHCA-KCPJHIHWSA-N 2 0 339.277 3.076 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925524344 1325189763 /nfs/dbraw/zinc/18/97/63/1325189763.db2.gz RQVUYZGTIRABTO-BPQIPLTHSA-N 2 0 332.488 3.220 10 0 EGAERP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925524986 1325190396 /nfs/dbraw/zinc/19/03/96/1325190396.db2.gz CVGUGYVOPAAGBB-QWHCGFSZSA-N 2 0 347.450 3.462 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2CCCN(Cc3cccs3)C2)C[C@@H]([NH3+])C1 ZINC000925535477 1325196333 /nfs/dbraw/zinc/19/63/33/1325196333.db2.gz XUTZZPPBMQLDPT-BBWFWOEESA-N 2 0 335.561 3.456 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000925544635 1325200256 /nfs/dbraw/zinc/20/02/56/1325200256.db2.gz BXHCRQFXQWMJKY-CHWSQXEVSA-N 2 0 331.382 3.018 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925558772 1325208362 /nfs/dbraw/zinc/20/83/62/1325208362.db2.gz RDKHZPAZVBJXQF-UONOGXRCSA-N 2 0 342.430 3.335 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594269 1325225320 /nfs/dbraw/zinc/22/53/20/1325225320.db2.gz QDSLWMCOSWIOHD-DLBZAZTESA-N 2 0 334.891 3.248 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000925601701 1325228086 /nfs/dbraw/zinc/22/80/86/1325228086.db2.gz NCVRZTBQNAFZSF-LSDHHAIUSA-N 2 0 348.878 3.428 10 0 EGAERP CC1(C)[C@H]([NH2+][C@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648095 1325246155 /nfs/dbraw/zinc/24/61/55/1325246155.db2.gz OJYRCMFPDQTGHP-BRIYLRKRSA-N 2 0 332.463 3.412 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658282 1325251666 /nfs/dbraw/zinc/25/16/66/1325251666.db2.gz WHUULOFQISPSRJ-LSDHHAIUSA-N 2 0 328.378 3.030 10 0 EGAERP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CC2 ZINC000925658082 1325252153 /nfs/dbraw/zinc/25/21/53/1325252153.db2.gz NCLYNLXJBUJZBO-CEXWTWQISA-N 2 0 330.520 3.079 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)C12CCC2 ZINC000925665357 1325254328 /nfs/dbraw/zinc/25/43/28/1325254328.db2.gz DPQCJKHGQYFKDW-QLFBSQMISA-N 2 0 336.277 3.155 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925723442 1325271009 /nfs/dbraw/zinc/27/10/09/1325271009.db2.gz VPYBDBQQUWIUET-WOJBJXKFSA-N 3 0 327.516 3.148 10 0 EGAERP OC[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728722 1325271845 /nfs/dbraw/zinc/27/18/45/1325271845.db2.gz HBKUSOTWXUWZDU-UHOSZYNNSA-N 2 0 336.907 3.174 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCOC1 ZINC000925766510 1325291107 /nfs/dbraw/zinc/29/11/07/1325291107.db2.gz BBIHUXGAQMCHAZ-WOGUSJMUSA-N 2 0 330.472 3.037 10 0 EGAERP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809016 1325310227 /nfs/dbraw/zinc/31/02/27/1325310227.db2.gz GWSZLIRFIFXNMJ-AWEZNQCLSA-N 2 0 343.437 3.039 10 0 EGAERP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1 ZINC000925812874 1325312739 /nfs/dbraw/zinc/31/27/39/1325312739.db2.gz CYBOYHNESJTYEY-KRWDZBQOSA-N 2 0 341.503 3.478 10 0 EGAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000925840169 1325323335 /nfs/dbraw/zinc/32/33/35/1325323335.db2.gz HPIPDCGLSXIIDQ-XFQXTVEOSA-N 2 0 329.488 3.142 10 0 EGAERP O=C1O[C@@H](C[NH2+][C@H](c2cccs2)C2CCCC2)CC12CC[NH2+]CC2 ZINC000925857451 1325332990 /nfs/dbraw/zinc/33/29/90/1325332990.db2.gz ZTODFXBYSXIKCS-WBVHZDCISA-N 2 0 348.512 3.254 10 0 EGAERP CCCC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925856356 1325333186 /nfs/dbraw/zinc/33/31/86/1325333186.db2.gz XFELHQUTGLSECQ-MSOLQXFVSA-N 2 0 330.472 3.193 10 0 EGAERP CCC(C)(C)C1CCC([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925856036 1325333383 /nfs/dbraw/zinc/33/33/83/1325333383.db2.gz PBOKPIGMYHBDKC-OFLPRAFFSA-N 2 0 336.520 3.256 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1Br ZINC000925877905 1325339289 /nfs/dbraw/zinc/33/92/89/1325339289.db2.gz XTIASCDZYGNHDC-LOWVWBTDSA-N 2 0 327.266 3.236 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1C[NH+]1CCCCC1 ZINC000925882305 1325342509 /nfs/dbraw/zinc/34/25/09/1325342509.db2.gz KJVTZQAYUMETNV-QKLQHJQFSA-N 3 0 345.531 3.459 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000926707939 1327676263 /nfs/dbraw/zinc/67/62/63/1327676263.db2.gz VVKIZRKJMSERJC-ICSRJNTNSA-N 2 0 332.536 3.231 10 0 EGAERP C[C@H]([NH2+]CC1(CC(N)=O)CCCCC1)c1cccc(C[NH+](C)C)c1 ZINC000926729088 1327686938 /nfs/dbraw/zinc/68/69/38/1327686938.db2.gz JQCOUHQPELBMOH-INIZCTEOSA-N 2 0 331.504 3.225 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000926791608 1327719045 /nfs/dbraw/zinc/71/90/45/1327719045.db2.gz RWLXKWGBHDYQHF-LJQANCHMSA-N 2 0 332.488 3.030 10 0 EGAERP COc1cc(Br)cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)c1 ZINC000926904290 1327767542 /nfs/dbraw/zinc/76/75/42/1327767542.db2.gz FOZLBTNKSCKXCT-LBPRGKRZSA-N 2 0 341.293 3.278 10 0 EGAERP C[C@@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000926902634 1327765574 /nfs/dbraw/zinc/76/55/74/1327765574.db2.gz ZUBIFRCPRBTOMF-UTKZUKDTSA-N 2 0 340.515 3.487 10 0 EGAERP C[C@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926960474 1327798929 /nfs/dbraw/zinc/79/89/29/1327798929.db2.gz WACARTHNSBIQJQ-XJKSGUPXSA-N 2 0 331.426 3.281 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927016185 1327820963 /nfs/dbraw/zinc/82/09/63/1327820963.db2.gz JNEZVLOHJQRSDM-LPHOPBHVSA-N 2 0 332.488 3.127 10 0 EGAERP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927068971 1327840685 /nfs/dbraw/zinc/84/06/85/1327840685.db2.gz KKTQFBHOHRTCHO-NBHGPNQESA-N 2 0 346.515 3.483 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000863543413 1329561897 /nfs/dbraw/zinc/56/18/97/1329561897.db2.gz OFZNRKHRGPEVAV-ZYSHUDEJSA-N 2 0 333.520 3.328 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000863546266 1329562624 /nfs/dbraw/zinc/56/26/24/1329562624.db2.gz KNGKCPXMDZZCIO-OAHLLOKOSA-N 2 0 330.444 3.334 10 0 EGAERP CCC(CC)[C@H](C[NH2+]C1CCC(CNC(C)=O)CC1)[NH+]1CCCC1 ZINC000865410696 1329693156 /nfs/dbraw/zinc/69/31/56/1329693156.db2.gz FCWJVIWLQNLKII-UUKMXZOPSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865415894 1329694144 /nfs/dbraw/zinc/69/41/44/1329694144.db2.gz QJRIVLWEZFPTDT-GASCZTMLSA-N 2 0 331.460 3.381 10 0 EGAERP CC(C)[C@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865773974 1329736956 /nfs/dbraw/zinc/73/69/56/1329736956.db2.gz KVGJFCPUYLADOD-WOJBJXKFSA-N 2 0 330.516 3.443 10 0 EGAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866231034 1330081549 /nfs/dbraw/zinc/08/15/49/1330081549.db2.gz LXRKANISBIUMNJ-OAQYLSRUSA-N 2 0 337.511 3.444 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866233826 1330082074 /nfs/dbraw/zinc/08/20/74/1330082074.db2.gz YUYAFEZEFOEZGE-RZQQEMMASA-N 2 0 333.495 3.065 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866280390 1330090016 /nfs/dbraw/zinc/09/00/16/1330090016.db2.gz VFGIXJRHTSHMPM-STQMWFEESA-N 2 0 339.867 3.489 10 0 EGAERP C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866511907 1330120308 /nfs/dbraw/zinc/12/03/08/1330120308.db2.gz YBYLQADNASUOFK-NBHGPNQESA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000866515601 1330120578 /nfs/dbraw/zinc/12/05/78/1330120578.db2.gz DMPOXWDUJJULPF-OCDPCBSRSA-N 2 0 345.531 3.437 10 0 EGAERP CC(C)CNC(=O)c1cccc(C[N@@H+]2CC[C@@](C[NH3+])(C(C)(C)C)C2)c1 ZINC000866706772 1330143356 /nfs/dbraw/zinc/14/33/56/1330143356.db2.gz RDUDYGSHFGDWAZ-NRFANRHFSA-N 2 0 345.531 3.269 10 0 EGAERP COc1cc(C[NH+](C)C)ccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000868815908 1330352205 /nfs/dbraw/zinc/35/22/05/1330352205.db2.gz SGKMHNREUBDJCY-UHFFFAOYSA-N 2 0 347.503 3.207 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001323146970 1387302739 /nfs/dbraw/zinc/30/27/39/1387302739.db2.gz CZDWHSWTGNQWEF-ASIGSXEYSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001323158766 1387304181 /nfs/dbraw/zinc/30/41/81/1387304181.db2.gz IYYUNWBJECRLIP-QWCIBIBSSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001323471884 1387374104 /nfs/dbraw/zinc/37/41/04/1387374104.db2.gz HDIFNVFSXRDYIY-DLBZAZTESA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642519 1387416259 /nfs/dbraw/zinc/41/62/59/1387416259.db2.gz NHBRJYJVVDTJMN-KJBZUCPPSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001323671082 1387421270 /nfs/dbraw/zinc/42/12/70/1387421270.db2.gz YUERQUTWFGSIEO-YQQQUEKLSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001324097975 1387541125 /nfs/dbraw/zinc/54/11/25/1387541125.db2.gz OCKGNVPXJBMZKY-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001324555940 1387671002 /nfs/dbraw/zinc/67/10/02/1387671002.db2.gz CUTJHEISRYYKFZ-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001324632894 1387709760 /nfs/dbraw/zinc/70/97/60/1387709760.db2.gz OTJQDRPNCCPEDZ-PXDRNWIDSA-N 2 0 349.563 3.435 10 0 EGAERP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C[Si](C)(C)C)CC1 ZINC001192901167 1367900176 /nfs/dbraw/zinc/90/01/76/1367900176.db2.gz JLIPCFDNHFFUJD-OAHLLOKOSA-N 2 0 337.559 3.496 10 0 EGAERP C[C@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001197285345 1368780132 /nfs/dbraw/zinc/78/01/32/1368780132.db2.gz PAQDTABYJPQSGZ-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325426181 1387970008 /nfs/dbraw/zinc/97/00/08/1387970008.db2.gz DMYCJCPGRVRPOJ-JNVNVXKGSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001325445988 1387974707 /nfs/dbraw/zinc/97/47/07/1387974707.db2.gz CMSKKZILDUHHOM-PXNSSMCTSA-N 2 0 343.515 3.155 10 0 EGAERP c1cc(C[NH2+]CCCn2ccc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC001198919283 1369149641 /nfs/dbraw/zinc/14/96/41/1369149641.db2.gz WDNNMUUNGYXVQH-UHFFFAOYSA-N 2 0 331.423 3.402 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001325899775 1388072548 /nfs/dbraw/zinc/07/25/48/1388072548.db2.gz RAFWOLQGCWHZAZ-AQNXPRMDSA-N 2 0 349.563 3.362 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H]2CCC[C@@H]21 ZINC001117112354 1371012072 /nfs/dbraw/zinc/01/20/72/1371012072.db2.gz IGKNJZKONXXEOM-UFYCRDLUSA-N 2 0 331.479 3.257 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H]2CCC[C@@H]21 ZINC001117112351 1371012479 /nfs/dbraw/zinc/01/24/79/1371012479.db2.gz IGKNJZKONXXEOM-AABGKKOBSA-N 2 0 331.479 3.257 10 0 EGAERP COc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1F ZINC001118264989 1371154767 /nfs/dbraw/zinc/15/47/67/1371154767.db2.gz QMMFWTQCBUVLRP-MSOLQXFVSA-N 2 0 328.431 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC001326470233 1388206135 /nfs/dbraw/zinc/20/61/35/1388206135.db2.gz ZGHSJOACRFDFKX-XLIONFOSSA-N 2 0 345.531 3.484 10 0 EGAERP CC[NH+](CC)CC[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccccc1 ZINC001124126870 1372677417 /nfs/dbraw/zinc/67/74/17/1372677417.db2.gz GCDPTEOYHUNGBZ-CTNGQTDRSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1)[NH+](C)C ZINC001326542136 1388235697 /nfs/dbraw/zinc/23/56/97/1388235697.db2.gz RQONFIURXUJBTJ-SZMVWBNQSA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001326559052 1388240055 /nfs/dbraw/zinc/24/00/55/1388240055.db2.gz RUBIQCHUFHUFIJ-MKXGPGLRSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCc2c(CNC(=O)CCC[NH+](C)C)cccc2C1 ZINC001326676852 1388280693 /nfs/dbraw/zinc/28/06/93/1388280693.db2.gz XQXKMUCJYUUWCM-KRWDZBQOSA-N 2 0 345.531 3.049 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264122069 1377140057 /nfs/dbraw/zinc/14/00/57/1377140057.db2.gz FUFSKVJGENOSFF-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001265687833 1377159486 /nfs/dbraw/zinc/15/94/86/1377159486.db2.gz IAGJFHBLTLOAQO-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265707713 1377163034 /nfs/dbraw/zinc/16/30/34/1377163034.db2.gz FAJSAPOBRUAUAN-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707904 1377163085 /nfs/dbraw/zinc/16/30/85/1377163085.db2.gz GZHGAUCMZANXBE-PSCPARJHSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1C ZINC001265978433 1377174779 /nfs/dbraw/zinc/17/47/79/1377174779.db2.gz NDAULGUMLQZRIX-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001266116947 1377194461 /nfs/dbraw/zinc/19/44/61/1377194461.db2.gz PPDZIGXCWUMYMR-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266216651 1377231497 /nfs/dbraw/zinc/23/14/97/1377231497.db2.gz TVAKXBXYSFPSBH-RBUKOAKNSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001266223098 1377234448 /nfs/dbraw/zinc/23/44/48/1377234448.db2.gz JBWFCFIQTCVOPR-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001266240219 1377243013 /nfs/dbraw/zinc/24/30/13/1377243013.db2.gz RDCXAWIJEFTTAF-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001266251449 1377249201 /nfs/dbraw/zinc/24/92/01/1377249201.db2.gz CYZDLVAGNNMBKA-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)CCC1=CCCCC1 ZINC001266290955 1377260593 /nfs/dbraw/zinc/26/05/93/1377260593.db2.gz QHMVBGBIASXDKE-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CCCC1 ZINC001136797613 1377423697 /nfs/dbraw/zinc/42/36/97/1377423697.db2.gz OGTGQRULHDDARO-MSOLQXFVSA-N 2 0 345.531 3.354 10 0 EGAERP CCN1CCC([NH+]2CCC(C(=O)NCCCCC(C)C)CC2)CC1 ZINC001136898806 1377437756 /nfs/dbraw/zinc/43/77/56/1377437756.db2.gz ZDYRUPKYQZJHSG-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC001267521210 1377451207 /nfs/dbraw/zinc/45/12/07/1377451207.db2.gz WQAJKDFHNNUAHR-OALUTQOASA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001268164539 1377490548 /nfs/dbraw/zinc/49/05/48/1377490548.db2.gz AOZKEVUABHJGAZ-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001269730541 1377567191 /nfs/dbraw/zinc/56/71/91/1377567191.db2.gz RDSQUZDTTIOSPZ-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272782810 1378081304 /nfs/dbraw/zinc/08/13/04/1378081304.db2.gz PEQAXWSVNBAKNU-VQIMIIECSA-N 2 0 349.563 3.029 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001327480129 1388531838 /nfs/dbraw/zinc/53/18/38/1388531838.db2.gz VAYVSXMSFUAYJT-MOPGFXCFSA-N 2 0 347.547 3.164 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001275768220 1378156569 /nfs/dbraw/zinc/15/65/69/1378156569.db2.gz NTLWBZQFSFPFEQ-FDICQLOXSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001276885704 1378191702 /nfs/dbraw/zinc/19/17/02/1378191702.db2.gz AFXMOYIUIXUYPM-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+]1CCC(C(=O)NCCCCCC2CC[NH+](CC3CC3)CC2)CC1 ZINC001327499221 1388537424 /nfs/dbraw/zinc/53/74/24/1388537424.db2.gz HTMQPEZSEYRURQ-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001142068337 1378410395 /nfs/dbraw/zinc/41/03/95/1378410395.db2.gz FPBQENIHTJYLMD-IEBWSBKVSA-N 2 0 345.531 3.449 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001142068339 1378410519 /nfs/dbraw/zinc/41/05/19/1378410519.db2.gz FPBQENIHTJYLMD-PKOBYXMFSA-N 2 0 345.531 3.449 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)C=C1CCC(C)(C)CC1 ZINC001143140177 1378546082 /nfs/dbraw/zinc/54/60/82/1378546082.db2.gz LHJFJLMLTYGGIL-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001327696328 1388586648 /nfs/dbraw/zinc/58/66/48/1388586648.db2.gz QQROMIJSRJULFY-SJLPKXTDSA-N 2 0 343.515 3.006 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001283714878 1379138602 /nfs/dbraw/zinc/13/86/02/1379138602.db2.gz PYPKQDMKVOUIRY-ROUUACIJSA-N 2 0 345.531 3.403 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001283720694 1379142302 /nfs/dbraw/zinc/14/23/02/1379142302.db2.gz GIEIDJFVMBQNLE-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283924751 1379277103 /nfs/dbraw/zinc/27/71/03/1379277103.db2.gz ALYIEQSPCVRPOB-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c(C)c1 ZINC001283937190 1379287235 /nfs/dbraw/zinc/28/72/35/1379287235.db2.gz ATCRZHYBIKBSOX-QUCCMNQESA-N 2 0 345.531 3.031 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCC(C)C)[C@@H]2C)o1 ZINC001283938479 1379287833 /nfs/dbraw/zinc/28/78/33/1379287833.db2.gz IOLQABSOFDQQLG-FUHWJXTLSA-N 2 0 349.519 3.360 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]1C ZINC001283938783 1379288494 /nfs/dbraw/zinc/28/84/94/1379288494.db2.gz JXQSKCVVFQWOGK-FXAWDEMLSA-N 2 0 345.531 3.229 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCCC[NH+](C)C 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/nfs/dbraw/zinc/68/16/40/1379681640.db2.gz QMZNFYKEIYMDHZ-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001284603782 1380003986 /nfs/dbraw/zinc/00/39/86/1380003986.db2.gz JYEYQYMPLOXDCK-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001284702044 1380117172 /nfs/dbraw/zinc/11/71/72/1380117172.db2.gz JZMICIZTSPZHFZ-VZSQWMKGSA-N 2 0 349.563 3.435 10 0 EGAERP CC1CCC(C[NH2+]C2(C)CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001328022218 1388647009 /nfs/dbraw/zinc/64/70/09/1388647009.db2.gz HVYLVXJFMHUAFQ-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cccc(F)c1 ZINC001328288343 1388717408 /nfs/dbraw/zinc/71/74/08/1388717408.db2.gz ZJUMFABUEHMENS-QFBILLFUSA-N 2 0 349.494 3.027 10 0 EGAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291944844 1382162764 /nfs/dbraw/zinc/16/27/64/1382162764.db2.gz FGEWALDSKJCWEG-NSHGMRRFSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001292851387 1382220402 /nfs/dbraw/zinc/22/04/02/1382220402.db2.gz XXVVDHZZTLXLNE-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP [NH3+]C[C@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC001328577570 1388779778 /nfs/dbraw/zinc/77/97/78/1388779778.db2.gz OAYJHDQTPINRIV-IBGZPJMESA-N 2 0 341.430 3.103 10 0 EGAERP CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001328588706 1388784781 /nfs/dbraw/zinc/78/47/81/1388784781.db2.gz XYEXTTQJGWEVJY-RURPWVQCSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)[C@H]1C[C@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC001299822556 1383630548 /nfs/dbraw/zinc/63/05/48/1383630548.db2.gz QOCNYSCNGUIOJH-OALUTQOASA-N 2 0 343.515 3.131 10 0 EGAERP CC[C@@H]([NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001328869540 1388891642 /nfs/dbraw/zinc/89/16/42/1388891642.db2.gz QEMXXOUDNWMCOK-NKELODKYSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001316624835 1384490460 /nfs/dbraw/zinc/49/04/60/1384490460.db2.gz OSXGSQMYLHITJZ-ZSYWTGECSA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316655230 1384507614 /nfs/dbraw/zinc/50/76/14/1384507614.db2.gz MABHIAUJHCGUQE-ZWKOTPCHSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668657 1384513431 /nfs/dbraw/zinc/51/34/31/1384513431.db2.gz JUPLDZCKDMHBGS-MSOLQXFVSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C/C=C\c1ccccc1 ZINC001316742449 1384556069 /nfs/dbraw/zinc/55/60/69/1384556069.db2.gz NCNZYKVQHHDXTI-KLMKZAPQSA-N 2 0 343.515 3.009 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001316771358 1384570213 /nfs/dbraw/zinc/57/02/13/1384570213.db2.gz KFBDHGNYNCOILC-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001316772882 1384571107 /nfs/dbraw/zinc/57/11/07/1384571107.db2.gz LWBZDKCGMLHEKJ-XAVKZTDYSA-N 2 0 343.943 3.078 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)c1 ZINC001316868822 1384654699 /nfs/dbraw/zinc/65/46/99/1384654699.db2.gz AAWLEZYURSVJLD-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316869337 1384654891 /nfs/dbraw/zinc/65/48/91/1384654891.db2.gz GVZASYLBFTWXJQ-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)(C(=O)NCCC[N@H+](CC1CCC1)C1CC1)[NH+]1CCCCC1 ZINC001316915244 1384685942 /nfs/dbraw/zinc/68/59/42/1384685942.db2.gz OYWSCONPGCNEEM-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001316932865 1384703556 /nfs/dbraw/zinc/70/35/56/1384703556.db2.gz BLRVFCJQNTUEGU-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316999023 1384756361 /nfs/dbraw/zinc/75/63/61/1384756361.db2.gz SRIDBAIDXJTKGW-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001317005894 1384767597 /nfs/dbraw/zinc/76/75/97/1384767597.db2.gz NYDWMMLSJVKVAU-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001317008019 1384771514 /nfs/dbraw/zinc/77/15/14/1384771514.db2.gz UCIUJXQBXAAIJL-RBUKOAKNSA-N 2 0 343.515 3.060 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317035727 1384805466 /nfs/dbraw/zinc/80/54/66/1384805466.db2.gz NZXNGGXWBNHSQX-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317040916 1384813515 /nfs/dbraw/zinc/81/35/15/1384813515.db2.gz AKJIUQWGIWUKJV-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317099424 1384862566 /nfs/dbraw/zinc/86/25/66/1384862566.db2.gz DFLZQYMLMVBSCT-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001317164641 1384927511 /nfs/dbraw/zinc/92/75/11/1384927511.db2.gz ZGVCXRRVYRZHQF-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317192220 1384966295 /nfs/dbraw/zinc/96/62/95/1384966295.db2.gz CZYSMMQLKDUKTN-DSQZMVHQSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCCF)c1ccccc1 ZINC001317192522 1384966740 /nfs/dbraw/zinc/96/67/40/1384966740.db2.gz FLJKOHIBFCGTPE-RBUKOAKNSA-N 2 0 349.494 3.010 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317202593 1384979998 /nfs/dbraw/zinc/97/99/98/1384979998.db2.gz GKFZKKDUIGUYEV-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001317221709 1385001971 /nfs/dbraw/zinc/00/19/71/1385001971.db2.gz PVVPGGHONOVFJR-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001317289858 1385062435 /nfs/dbraw/zinc/06/24/35/1385062435.db2.gz PRZWXQKTIUHQMV-FXAWDEMLSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001317416941 1385126774 /nfs/dbraw/zinc/12/67/74/1385126774.db2.gz ZKFFYRPYTGNSNF-MJGOQNOKSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccsc1 ZINC001317429052 1385133894 /nfs/dbraw/zinc/13/38/94/1385133894.db2.gz FCIATQOBOFDQRN-ROUUACIJSA-N 2 0 349.544 3.093 10 0 EGAERP C[NH+](C)CCC(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001317437393 1385140114 /nfs/dbraw/zinc/14/01/14/1385140114.db2.gz UTRKOTMJZFPHJH-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001317437858 1385140420 /nfs/dbraw/zinc/14/04/20/1385140420.db2.gz YCIPUFZRYFYTDL-ICSRJNTNSA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CCCC2CCCC2)C1 ZINC001317467571 1385160836 /nfs/dbraw/zinc/16/08/36/1385160836.db2.gz VNWCWMGBYXFKJV-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001317509595 1385218690 /nfs/dbraw/zinc/21/86/90/1385218690.db2.gz QNQWHOCOLHZOPA-RTBURBONSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317835986 1385523794 /nfs/dbraw/zinc/52/37/94/1385523794.db2.gz JWGZHPCGFUDDTR-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317842549 1385529311 /nfs/dbraw/zinc/52/93/11/1385529311.db2.gz UDKZIINIHOMHNL-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001317855864 1385541185 /nfs/dbraw/zinc/54/11/85/1385541185.db2.gz ZADLGRAPJKPEFH-UXHICEINSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H]2CC[NH+](CCCC(C)C)C2)C1 ZINC001318425988 1385681929 /nfs/dbraw/zinc/68/19/29/1385681929.db2.gz RPDOAYKLJBFBIB-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001318482957 1385714161 /nfs/dbraw/zinc/71/41/61/1385714161.db2.gz OFDBRRWDBKIUMR-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001318543571 1385747225 /nfs/dbraw/zinc/74/72/25/1385747225.db2.gz XBOBLQJTDZJYJE-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cccc2ncccc21 ZINC001318614071 1385796718 /nfs/dbraw/zinc/79/67/18/1385796718.db2.gz JKZKEHKOGSSVNO-UHFFFAOYSA-N 2 0 329.363 3.376 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2(C[NH2+]CC3CCCC3)CCCC2)C1 ZINC001318665168 1385825499 /nfs/dbraw/zinc/82/54/99/1385825499.db2.gz SGWUENMWBNEUMG-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)CC[C@@H]2CCC[N@H+]2C)cc1 ZINC001318996135 1385916248 /nfs/dbraw/zinc/91/62/48/1385916248.db2.gz NUCVDYVBQSUYDR-FQEVSTJZSA-N 2 0 343.515 3.233 10 0 EGAERP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001319008747 1385922382 /nfs/dbraw/zinc/92/23/82/1385922382.db2.gz KIRLWWOMKBNDGW-PXNSSMCTSA-N 2 0 345.531 3.313 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001319405502 1386106721 /nfs/dbraw/zinc/10/67/21/1386106721.db2.gz OXLOPVNGKHEFJX-ZBTAVZRMSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@H+](CCC)C1)CC2 ZINC001319405264 1386106972 /nfs/dbraw/zinc/10/69/72/1386106972.db2.gz LFWFGZYEYCCYRZ-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001319413037 1386109465 /nfs/dbraw/zinc/10/94/65/1386109465.db2.gz WMNWRYNEGACWQU-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001319542197 1386171052 /nfs/dbraw/zinc/17/10/52/1386171052.db2.gz ZGTIUUXRJQUACS-SJLPKXTDSA-N 2 0 325.541 3.122 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001319642476 1386227131 /nfs/dbraw/zinc/22/71/31/1386227131.db2.gz IYHYOKLJBKCGJZ-PMACEKPBSA-N 2 0 345.531 3.182 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001319823662 1386319164 /nfs/dbraw/zinc/31/91/64/1386319164.db2.gz CREHBRWHECZVGQ-ICSRJNTNSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319906458 1386381622 /nfs/dbraw/zinc/38/16/22/1386381622.db2.gz OSBWNMLNHRLXLB-UXHICEINSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001319999164 1386444098 /nfs/dbraw/zinc/44/40/98/1386444098.db2.gz LVPFWJLWLAPRBT-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCc1ccccc1C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320084249 1386500611 /nfs/dbraw/zinc/50/06/11/1386500611.db2.gz FWZMSOSRDIJJSB-ROUUACIJSA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001320111844 1386520554 /nfs/dbraw/zinc/52/05/54/1386520554.db2.gz BGJMOCZBEGWKOS-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CCCC2)C1 ZINC001320112826 1386521262 /nfs/dbraw/zinc/52/12/62/1386521262.db2.gz WARAIECMYWSRTE-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001320147315 1386534805 /nfs/dbraw/zinc/53/48/05/1386534805.db2.gz POVBFWIYPTYVFS-WFRZBGSESA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416819 1386604289 /nfs/dbraw/zinc/60/42/89/1386604289.db2.gz WMBYHFILKQKTQP-SJORKVTESA-N 2 0 325.541 3.170 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001320515244 1386633909 /nfs/dbraw/zinc/63/39/09/1386633909.db2.gz DQVIBYGJIMQKNU-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP Cc1cc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001320523761 1386637033 /nfs/dbraw/zinc/63/70/33/1386637033.db2.gz QRWAYPDEQXOWQV-ICSRJNTNSA-N 2 0 345.531 3.081 10 0 EGAERP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320561462 1386650223 /nfs/dbraw/zinc/65/02/23/1386650223.db2.gz GWVQJYZZMMVXJZ-MSOLQXFVSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001320639258 1386675074 /nfs/dbraw/zinc/67/50/74/1386675074.db2.gz HTIJEHORBISKRK-QZTJIDSGSA-N 2 0 345.531 3.451 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001321281418 1386865653 /nfs/dbraw/zinc/86/56/53/1386865653.db2.gz QIJPWQDBXBUKAP-XDXAGZTOSA-N 2 0 343.515 3.050 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001321287060 1386866922 /nfs/dbraw/zinc/86/69/22/1386866922.db2.gz RKUODCWYFKLDED-KJBZUCPPSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001321936975 1387013618 /nfs/dbraw/zinc/01/36/18/1387013618.db2.gz CJENRSUZMUBALX-KRWDZBQOSA-N 2 0 335.536 3.236 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001322157301 1387080787 /nfs/dbraw/zinc/08/07/87/1387080787.db2.gz PISLAIHLVUXXHI-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001322173502 1387088055 /nfs/dbraw/zinc/08/80/55/1387088055.db2.gz AMGYBSIKFSGAKX-YJBOKZPZSA-N 2 0 349.544 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001322280974 1387136772 /nfs/dbraw/zinc/13/67/72/1387136772.db2.gz LLGHPAXAPYJTLG-UZLBHIALSA-N 2 0 345.531 3.087 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001698707000 1406348818 /nfs/dbraw/zinc/34/88/18/1406348818.db2.gz GSGFEENEZYCFTD-RTLRUIJZSA-N 2 0 335.536 3.233 10 0 EGAERP Cc1ccc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c(C)c1 ZINC001329242402 1389032744 /nfs/dbraw/zinc/03/27/44/1389032744.db2.gz ATVUDIQHKUDMJM-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC=C(C)C)CC1 ZINC001329256318 1389037227 /nfs/dbraw/zinc/03/72/27/1389037227.db2.gz AZLPHBUYEUXZPO-ACBHZAAOSA-N 2 0 335.536 3.186 10 0 EGAERP CCCC[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001329900716 1389250802 /nfs/dbraw/zinc/25/08/02/1389250802.db2.gz LBSSYMFELGFNLV-UYAOXDASSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001329951349 1389270953 /nfs/dbraw/zinc/27/09/53/1389270953.db2.gz GHMDKKBJUYIHLG-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+]([C@H](C)c2ccccc2F)C1 ZINC001330072389 1389299897 /nfs/dbraw/zinc/29/98/97/1389299897.db2.gz SXWSMJSIHVWOCW-HZPDHXFCSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2cccc(F)c2)CC1(C)C ZINC001330261362 1389368977 /nfs/dbraw/zinc/36/89/77/1389368977.db2.gz GFZHTMUJDAYTHX-QAPCUYQASA-N 2 0 349.494 3.054 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001698724529 1406373082 /nfs/dbraw/zinc/37/30/82/1406373082.db2.gz PLFFVRPOWOOKHR-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001330673849 1389493046 /nfs/dbraw/zinc/49/30/46/1389493046.db2.gz JNPYFFATZUPWHS-MXVIHJGJSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001330811155 1389534715 /nfs/dbraw/zinc/53/47/15/1389534715.db2.gz JKXFNIBJBHZMAS-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC(C)(C)C ZINC001331470741 1389761967 /nfs/dbraw/zinc/76/19/67/1389761967.db2.gz RIPUDZKLEJVUHJ-SJLPKXTDSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCCC(C)(C)C ZINC001331561237 1389799474 /nfs/dbraw/zinc/79/94/74/1389799474.db2.gz PWYQNVCIGFOADJ-MRXNPFEDSA-N 2 0 327.557 3.227 10 0 EGAERP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001331644443 1389842236 /nfs/dbraw/zinc/84/22/36/1389842236.db2.gz NGYGKTLEAXUGPR-GOSISDBHSA-N 2 0 335.536 3.189 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCc2c1cc(Cl)cc2Br ZINC001331756303 1389866939 /nfs/dbraw/zinc/86/69/39/1389866939.db2.gz RIDPUYTXGDJHFX-CQSZACIVSA-N 2 0 347.684 3.045 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001332117442 1389994389 /nfs/dbraw/zinc/99/43/89/1389994389.db2.gz MDESPCDINABIQI-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]2C1)C1CCC1 ZINC001332141748 1390005550 /nfs/dbraw/zinc/00/55/50/1390005550.db2.gz SSWDWFYGQXVBFG-QXAKKESOSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCc2cncn2C)[C@@H]1C ZINC001332221569 1390054269 /nfs/dbraw/zinc/05/42/69/1390054269.db2.gz YXQJDKZTBYKPII-XZJTZLQGSA-N 2 0 346.519 3.068 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389253 1390103467 /nfs/dbraw/zinc/10/34/67/1390103467.db2.gz XRLLEWKEIHQDKW-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[NH+]1CCN(c2ccc(F)cc2[C@H](C)[NH2+]C/C=C(\C)COC)CC1 ZINC001332700973 1390159883 /nfs/dbraw/zinc/15/98/83/1390159883.db2.gz QAUCNNOVLGOSID-BDBSJLECSA-N 2 0 349.494 3.211 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C(=O)[C@H]2CC[NH+](C)C2)C(C)C)c1 ZINC001332740615 1390176742 /nfs/dbraw/zinc/17/67/42/1390176742.db2.gz OHAVDTUEOKMYAF-QUCCMNQESA-N 2 0 345.531 3.177 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001332900244 1390212701 /nfs/dbraw/zinc/21/27/01/1390212701.db2.gz TXRSSMVLWVOELO-IAGOWNOFSA-N 2 0 325.541 3.026 10 0 EGAERP CC[C@H](c1ccccc1)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001332997118 1390232891 /nfs/dbraw/zinc/23/28/91/1390232891.db2.gz GACHALFUMJMJCX-FXAWDEMLSA-N 2 0 345.531 3.306 10 0 EGAERP C[N@H+](CCC(=O)NCC1=CC[NH+](CC2CCC2)CC1)C1CCCCC1 ZINC001333378768 1390292766 /nfs/dbraw/zinc/29/27/66/1390292766.db2.gz QJQDLKGHAOJSOG-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001333417295 1390298825 /nfs/dbraw/zinc/29/88/25/1390298825.db2.gz NDZGUQLYBSKZIX-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001333459128 1390309071 /nfs/dbraw/zinc/30/90/71/1390309071.db2.gz YJUSCZYFSXQHJV-HDICACEKSA-N 2 0 335.536 3.044 10 0 EGAERP COc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049938 1390467511 /nfs/dbraw/zinc/46/75/11/1390467511.db2.gz VKTPEDJBCZEFNP-JXXFODFXSA-N 2 0 344.499 3.241 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1Cc1ccc(C)c(C)c1 ZINC001479644438 1392304325 /nfs/dbraw/zinc/30/43/25/1392304325.db2.gz TVCWBGNDCKWVQJ-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001479685054 1392318068 /nfs/dbraw/zinc/31/80/68/1392318068.db2.gz AXAJUHSUMNMPCW-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)[NH+](CC)CC ZINC001479691594 1392322634 /nfs/dbraw/zinc/32/26/34/1392322634.db2.gz CQRLTCMWTDPQJJ-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC1CCC(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001479693067 1392324495 /nfs/dbraw/zinc/32/44/95/1392324495.db2.gz UHOJKTGKLSLQPL-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001479716957 1392335435 /nfs/dbraw/zinc/33/54/35/1392335435.db2.gz UWQQNCCHXWUQKU-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479821018 1392411728 /nfs/dbraw/zinc/41/17/28/1392411728.db2.gz DHIDGWQKMIDHBV-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479830296 1392416853 /nfs/dbraw/zinc/41/68/53/1392416853.db2.gz PSGYAPVEXPLLPB-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001479893832 1392463157 /nfs/dbraw/zinc/46/31/57/1392463157.db2.gz ZMABHDBQPQTZIB-SFHVURJKSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001479896582 1392465223 /nfs/dbraw/zinc/46/52/23/1392465223.db2.gz YGJIDERPZFCCDT-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001479963501 1392498978 /nfs/dbraw/zinc/49/89/78/1392498978.db2.gz IIFHOXBBNJTTNJ-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2)[NH+](CC)CC ZINC001479984620 1392517460 /nfs/dbraw/zinc/51/74/60/1392517460.db2.gz FPCAKFWMYQIDMX-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001480060462 1392556301 /nfs/dbraw/zinc/55/63/01/1392556301.db2.gz QTBFFRKJMCPRTA-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085158 1392575136 /nfs/dbraw/zinc/57/51/36/1392575136.db2.gz QBDKFABXYDDITM-IRXDYDNUSA-N 2 0 349.494 3.009 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001480089792 1392579694 /nfs/dbraw/zinc/57/96/94/1392579694.db2.gz VOOHZMJUPCGYML-FQEVSTJZSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001480144942 1392600554 /nfs/dbraw/zinc/60/05/54/1392600554.db2.gz GZSPDEVEJUBFTR-WKILWMFISA-N 2 0 328.460 3.073 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001480174125 1392608856 /nfs/dbraw/zinc/60/88/56/1392608856.db2.gz RUDYDCYMIGWSPI-VBSBHUPXSA-N 2 0 343.515 3.105 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001480255207 1392640558 /nfs/dbraw/zinc/64/05/58/1392640558.db2.gz RMFIMIADDROEHM-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001480272244 1392655493 /nfs/dbraw/zinc/65/54/93/1392655493.db2.gz PPYNJUQVKGKEPN-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480373314 1392715351 /nfs/dbraw/zinc/71/53/51/1392715351.db2.gz OXLIUSGIUQYXAC-RTBURBONSA-N 2 0 337.552 3.362 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001480374205 1392717119 /nfs/dbraw/zinc/71/71/19/1392717119.db2.gz VEWFTNYPLZKSJX-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001480403682 1392742048 /nfs/dbraw/zinc/74/20/48/1392742048.db2.gz RYYNFWMOKUFVDM-MHJFOBGBSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001480404688 1392742712 /nfs/dbraw/zinc/74/27/12/1392742712.db2.gz DBBFPAFFHKJFDT-OOHWJJMZSA-N 2 0 342.487 3.319 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001480727366 1392888396 /nfs/dbraw/zinc/88/83/96/1392888396.db2.gz VBCQMEGMMSSPGS-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001481045907 1393105448 /nfs/dbraw/zinc/10/54/48/1393105448.db2.gz DGMGRSPMDFRAML-WMZOPIPTSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481126933 1393126663 /nfs/dbraw/zinc/12/66/63/1393126663.db2.gz NMTDMHYFFUPXNX-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CC2(CCC2)C1 ZINC001481136579 1393130145 /nfs/dbraw/zinc/13/01/45/1393130145.db2.gz IQLACZPKLJTHMR-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](CC2=CCCCC2)C2CC2)C1 ZINC001481194388 1393147401 /nfs/dbraw/zinc/14/74/01/1393147401.db2.gz HFVQIMUDFJBBCP-AZUAARDMSA-N 2 0 347.547 3.188 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481245590 1393152927 /nfs/dbraw/zinc/15/29/27/1393152927.db2.gz KPPZADZOAGPRQM-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CCC1 ZINC001481350215 1393172978 /nfs/dbraw/zinc/17/29/78/1393172978.db2.gz GHCWKWMWYKLJTK-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1ccccc1 ZINC001490331853 1393175098 /nfs/dbraw/zinc/17/50/98/1393175098.db2.gz ZCOZPRJAQVIENO-KRWDZBQOSA-N 2 0 331.504 3.060 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001698921874 1406657120 /nfs/dbraw/zinc/65/71/20/1406657120.db2.gz YCCBADRKJWEJHU-CTNGQTDRSA-N 2 0 349.563 3.413 10 0 EGAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)cs1 ZINC001698922075 1406657349 /nfs/dbraw/zinc/65/73/49/1406657349.db2.gz ABJJADFWMSRSRE-SFHVURJKSA-N 2 0 349.544 3.013 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001698923007 1406658380 /nfs/dbraw/zinc/65/83/80/1406658380.db2.gz KIUCBUATLQVEMN-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481410543 1394268617 /nfs/dbraw/zinc/26/86/17/1394268617.db2.gz JJAHBPZOOIXSQY-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001490604503 1394279516 /nfs/dbraw/zinc/27/95/16/1394279516.db2.gz MFUXUCORPOFOJK-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001490764391 1394325555 /nfs/dbraw/zinc/32/55/55/1394325555.db2.gz VMZBCYBSISZUEL-PHWHVTFISA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001490775726 1394339540 /nfs/dbraw/zinc/33/95/40/1394339540.db2.gz DCEZOPWQGFIWEJ-IBGZPJMESA-N 2 0 337.552 3.223 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001698949622 1406689847 /nfs/dbraw/zinc/68/98/47/1406689847.db2.gz IWLPKQYTMXKJAJ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481509362 1394357951 /nfs/dbraw/zinc/35/79/51/1394357951.db2.gz OQOGJDVRZNLEFU-LJQANCHMSA-N 2 0 345.531 3.188 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001481526550 1394378157 /nfs/dbraw/zinc/37/81/57/1394378157.db2.gz MFDNOQOZHJPCLC-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490980113 1394390636 /nfs/dbraw/zinc/39/06/36/1394390636.db2.gz BTUYZTAIVZNDPQ-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCC3)CC[C@H]21 ZINC001490981755 1394392326 /nfs/dbraw/zinc/39/23/26/1394392326.db2.gz JTZYAKQJTDBODM-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481536803 1394395389 /nfs/dbraw/zinc/39/53/89/1394395389.db2.gz NBGZUJGUDJCCIU-ZBWOGFRMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491154021 1394452825 /nfs/dbraw/zinc/45/28/25/1394452825.db2.gz ZGXYANGZGMHYGM-RZZOZFHJSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001491230858 1394485972 /nfs/dbraw/zinc/48/59/72/1394485972.db2.gz QGPNLGOWJVRMRK-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001491235363 1394487804 /nfs/dbraw/zinc/48/78/04/1394487804.db2.gz DHBYDLXJIMKAQQ-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001491237791 1394490082 /nfs/dbraw/zinc/49/00/82/1394490082.db2.gz WPZNKQVQOFIPOR-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001481748412 1394493587 /nfs/dbraw/zinc/49/35/87/1394493587.db2.gz XBUZDXYKKPMSDB-UYAOXDASSA-N 2 0 345.531 3.321 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481753327 1394497275 /nfs/dbraw/zinc/49/72/75/1394497275.db2.gz SJIQYVRHZWXQCB-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@H](N(C)C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001481753014 1394497422 /nfs/dbraw/zinc/49/74/22/1394497422.db2.gz NAQYLUHVXXWHRO-FQEVSTJZSA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001491681282 1394525464 /nfs/dbraw/zinc/52/54/64/1394525464.db2.gz CVJKBFFWMDQPLN-IAGOWNOFSA-N 2 0 341.499 3.335 10 0 EGAERP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001698955893 1406703204 /nfs/dbraw/zinc/70/32/04/1406703204.db2.gz CXLLDXFIDCJLPV-IBGZPJMESA-N 2 0 339.568 3.179 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481964093 1394625404 /nfs/dbraw/zinc/62/54/04/1394625404.db2.gz OGISXPBJOXRSTG-NQIIRXRSSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001482006871 1394666698 /nfs/dbraw/zinc/66/66/98/1394666698.db2.gz KDQYHVJHYXNFFT-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001482018732 1394675496 /nfs/dbraw/zinc/67/54/96/1394675496.db2.gz QFDFARYYASNQLK-FHWLQOOXSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001482068598 1394729982 /nfs/dbraw/zinc/72/99/82/1394729982.db2.gz SWPCCXOUMRGEJI-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001482221507 1394814505 /nfs/dbraw/zinc/81/45/05/1394814505.db2.gz LPFWQQFYPIZMTN-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001482370030 1394932261 /nfs/dbraw/zinc/93/22/61/1394932261.db2.gz RAOHHELWJOYALF-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001482369535 1394932318 /nfs/dbraw/zinc/93/23/18/1394932318.db2.gz NDPMYMDZCNCDCR-GJZGRUSLSA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CCC(C)(C)C ZINC001698970566 1406734023 /nfs/dbraw/zinc/73/40/23/1406734023.db2.gz ACPISEMNNAMGNT-MRXNPFEDSA-N 2 0 327.557 3.131 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001482497339 1395049740 /nfs/dbraw/zinc/04/97/40/1395049740.db2.gz DRXQHOFCXTUAJF-AZUAARDMSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCCCC1 ZINC001482533606 1395074980 /nfs/dbraw/zinc/07/49/80/1395074980.db2.gz ZCHFPJGSGRIGFU-UXHICEINSA-N 2 0 349.563 3.029 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC(C)C)C2)C1 ZINC001483847163 1395113571 /nfs/dbraw/zinc/11/35/71/1395113571.db2.gz GCVMJWNELMLWTR-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001483935751 1395152109 /nfs/dbraw/zinc/15/21/09/1395152109.db2.gz YPSBZJNLPFMAJG-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483942791 1395154603 /nfs/dbraw/zinc/15/46/03/1395154603.db2.gz QPNTXHDTWKZAJY-UIHLLAOXSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC001484013386 1395186282 /nfs/dbraw/zinc/18/62/82/1395186282.db2.gz UPADCNPIXIDTEJ-AJEASFTHSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001484046842 1395211123 /nfs/dbraw/zinc/21/11/23/1395211123.db2.gz AIQJWRHGNZSNSW-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484145633 1395281782 /nfs/dbraw/zinc/28/17/82/1395281782.db2.gz XYRSVLGDKWXVMS-LIXSYLKWSA-N 2 0 349.563 3.293 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CCCCCC2)C1 ZINC001484151897 1395288183 /nfs/dbraw/zinc/28/81/83/1395288183.db2.gz GYKMAIMPBZJPER-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484560291 1395443514 /nfs/dbraw/zinc/44/35/14/1395443514.db2.gz YBKMFOYRQXNQDY-PXNSSMCTSA-N 2 0 345.531 3.484 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001484562186 1395448190 /nfs/dbraw/zinc/44/81/90/1395448190.db2.gz XHZPYSSPEBAPDS-DLBZAZTESA-N 2 0 343.515 3.095 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001484638201 1395458238 /nfs/dbraw/zinc/45/82/38/1395458238.db2.gz HMQIASKDMBCGGM-SFHVURJKSA-N 2 0 347.547 3.070 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001484654412 1395463707 /nfs/dbraw/zinc/46/37/07/1395463707.db2.gz JUZOAYTZLBHLNS-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001485186074 1395692853 /nfs/dbraw/zinc/69/28/53/1395692853.db2.gz BLYCFKZRMDJHKE-HZPDHXFCSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218221 1395713846 /nfs/dbraw/zinc/71/38/46/1395713846.db2.gz VVSWNIUICBWTPZ-SJORKVTESA-N 2 0 347.547 3.309 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001485239204 1395731783 /nfs/dbraw/zinc/73/17/83/1395731783.db2.gz DZLDAMCSTIZSHW-AOCRQIFASA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485240404 1395734061 /nfs/dbraw/zinc/73/40/61/1395734061.db2.gz AGVGFETWWDVVLA-VIQWUECVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001485582859 1396059317 /nfs/dbraw/zinc/05/93/17/1396059317.db2.gz VBIZYRXWDLIFAK-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485894895 1396161864 /nfs/dbraw/zinc/16/18/64/1396161864.db2.gz WMJABXBRQRUFSF-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001486090015 1396176692 /nfs/dbraw/zinc/17/66/92/1396176692.db2.gz FFYBQQRSBRSZOH-OXUXSNCKSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001486090016 1396176726 /nfs/dbraw/zinc/17/67/26/1396176726.db2.gz FFYBQQRSBRSZOH-PWBPZBFBSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001502751405 1396227880 /nfs/dbraw/zinc/22/78/80/1396227880.db2.gz PQUVUSGKQBPMHL-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C\c1ccccc1 ZINC001503290828 1396249947 /nfs/dbraw/zinc/24/99/47/1396249947.db2.gz QGQANUZOKUCTGY-SIINWDRPSA-N 2 0 343.515 3.059 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCC2)C1 ZINC001491959894 1396300955 /nfs/dbraw/zinc/30/09/55/1396300955.db2.gz QMIYGZPCCSPIOG-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCC1 ZINC001492050611 1396302316 /nfs/dbraw/zinc/30/23/16/1396302316.db2.gz UTVINMSISPHDBN-QGZVFWFLSA-N 2 0 335.536 3.070 10 0 EGAERP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001492156615 1396309394 /nfs/dbraw/zinc/30/93/94/1396309394.db2.gz HTJPYIJXXDHMRP-ICSRJNTNSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877988 1396327829 /nfs/dbraw/zinc/32/78/29/1396327829.db2.gz FHGQPUVMRWZXOW-APWZRJJASA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CC2(CCC2)C1 ZINC001492951483 1396329529 /nfs/dbraw/zinc/32/95/29/1396329529.db2.gz CYPLJDDEICUEST-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCCC3CCCC3)C2)C1 ZINC001494159177 1396390313 /nfs/dbraw/zinc/39/03/13/1396390313.db2.gz IEADSCHZVDQCPU-UYAOXDASSA-N 2 0 349.563 3.079 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001494876182 1396504794 /nfs/dbraw/zinc/50/47/94/1396504794.db2.gz NNBLDTFGVRIZBS-PMACEKPBSA-N 2 0 345.531 3.258 10 0 EGAERP C[C@H](C[NH2+]Cc1cc2ccccc2s1)N(C)C(=O)CCC[NH+](C)C ZINC001496145343 1396610998 /nfs/dbraw/zinc/61/09/98/1396610998.db2.gz PPKLHEOAXRJBPS-OAHLLOKOSA-N 2 0 347.528 3.180 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001496359898 1396666344 /nfs/dbraw/zinc/66/63/44/1396666344.db2.gz RYYRKZUHQIYGJZ-ZWKOTPCHSA-N 2 0 339.568 3.227 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001496432490 1396706403 /nfs/dbraw/zinc/70/64/03/1396706403.db2.gz YRDDODYMHIRUKA-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001497406455 1396756564 /nfs/dbraw/zinc/75/65/64/1396756564.db2.gz AWHKLJMLXUGUTN-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001497764585 1396834870 /nfs/dbraw/zinc/83/48/70/1396834870.db2.gz PIZNQRZCWXQWMN-AQWUKCDYSA-N 2 0 349.563 3.339 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001497993001 1396906833 /nfs/dbraw/zinc/90/68/33/1396906833.db2.gz LXWFOOXUYDWDSY-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001498145787 1396926590 /nfs/dbraw/zinc/92/65/90/1396926590.db2.gz FVGGLRFSPJTWHS-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001689197966 1396968342 /nfs/dbraw/zinc/96/83/42/1396968342.db2.gz KUVACJZKEWGPIV-XUVXKRRUSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1)[NH+](CC)CC ZINC001689267398 1396998459 /nfs/dbraw/zinc/99/84/59/1396998459.db2.gz JDUOJPCXUWJLPO-QHLFFQLOSA-N 2 0 343.943 3.220 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689906768 1404199643 /nfs/dbraw/zinc/19/96/43/1404199643.db2.gz UVMCCRYJLNJJKD-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CC2CCC2)CC1 ZINC001690136866 1404334541 /nfs/dbraw/zinc/33/45/41/1404334541.db2.gz VMBQLXWAHKWQJJ-HKUYNNGSSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001690199332 1404410122 /nfs/dbraw/zinc/41/01/22/1404410122.db2.gz PBTCWEJBJUCPSH-SLVIYJBESA-N 2 0 349.563 3.388 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690394379 1404536910 /nfs/dbraw/zinc/53/69/10/1404536910.db2.gz YRKLAXFXRVQCNO-MOPGFXCFSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1)CC(C)(C)C ZINC001690455357 1404583272 /nfs/dbraw/zinc/58/32/72/1404583272.db2.gz SNUFNSVBAYMGHQ-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505460 1404618254 /nfs/dbraw/zinc/61/82/54/1404618254.db2.gz SSBZEFNEAPSVHA-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690778329 1404727666 /nfs/dbraw/zinc/72/76/66/1404727666.db2.gz XYYCORHULHDURZ-ZWKOTPCHSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001690811434 1404748488 /nfs/dbraw/zinc/74/84/88/1404748488.db2.gz REBIQZAVIQWDSY-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001690814103 1404748647 /nfs/dbraw/zinc/74/86/47/1404748647.db2.gz AOBMVKKFPXAFAT-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001691083668 1405016971 /nfs/dbraw/zinc/01/69/71/1405016971.db2.gz ZCPFGTQJLMHXPZ-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001691107994 1405048614 /nfs/dbraw/zinc/04/86/14/1405048614.db2.gz XUPBSBSJHCKLIV-LMMKCTJWSA-N 2 0 343.515 3.106 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691146784 1405080394 /nfs/dbraw/zinc/08/03/94/1405080394.db2.gz DHGNGWMQUPOPLS-OKYOBFRVSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001691230593 1405169891 /nfs/dbraw/zinc/16/98/91/1405169891.db2.gz JYAVEXGFAUFTTK-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001691382154 1405221120 /nfs/dbraw/zinc/22/11/20/1405221120.db2.gz JPNFBEFJWJULGT-RLLQIKCJSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691457821 1405280392 /nfs/dbraw/zinc/28/03/92/1405280392.db2.gz AMYVGIDQAFRHAU-XSYGEPLQSA-N 2 0 349.563 3.314 10 0 EGAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001691500644 1405305191 /nfs/dbraw/zinc/30/51/91/1405305191.db2.gz RVCRIFSQPKFALU-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691604279 1405352734 /nfs/dbraw/zinc/35/27/34/1405352734.db2.gz KLGCFWOUGDVAKS-WWAPKCSDSA-N 2 0 347.547 3.236 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001691628875 1405366527 /nfs/dbraw/zinc/36/65/27/1405366527.db2.gz DQBXXONPIYRAFV-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001691629288 1405367383 /nfs/dbraw/zinc/36/73/83/1405367383.db2.gz KXOHTMJEUOZGOV-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691632613 1405369376 /nfs/dbraw/zinc/36/93/76/1405369376.db2.gz MTPDMGFGSBNMSI-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001691683241 1405419036 /nfs/dbraw/zinc/41/90/36/1405419036.db2.gz RIJDZIFFSKKASN-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001691733719 1405456330 /nfs/dbraw/zinc/45/63/30/1405456330.db2.gz SRPYOWVXXIGCIY-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCCC1CCC1 ZINC001691738084 1405460465 /nfs/dbraw/zinc/46/04/65/1405460465.db2.gz HJXINHQYSQVCCM-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001691823835 1405540068 /nfs/dbraw/zinc/54/00/68/1405540068.db2.gz YNCYFSOXCPAIMT-MSOLQXFVSA-N 2 0 339.568 3.226 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731415815 1427386481 /nfs/dbraw/zinc/38/64/81/1427386481.db2.gz IPTVKFVPSAJHMC-OALUTQOASA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001691922541 1405652787 /nfs/dbraw/zinc/65/27/87/1405652787.db2.gz POSIFMAIFPMVID-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691955562 1405673428 /nfs/dbraw/zinc/67/34/28/1405673428.db2.gz ZAHZNBPABJFQKT-OTWHNJEPSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(C)C ZINC001731749048 1427842192 /nfs/dbraw/zinc/84/21/92/1427842192.db2.gz HHERUMYVMJADSH-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001692188586 1405829972 /nfs/dbraw/zinc/82/99/72/1405829972.db2.gz ILTZZYMQXUVFFT-ZWKOTPCHSA-N 2 0 347.547 3.020 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001692257573 1405884934 /nfs/dbraw/zinc/88/49/34/1405884934.db2.gz JCCQVSCXXAWWHU-ZBWOGFRMSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CCCCCC1 ZINC001692368082 1405977777 /nfs/dbraw/zinc/97/77/77/1405977777.db2.gz GTNPPJSSPWLSRU-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CC1 ZINC001732008992 1428221506 /nfs/dbraw/zinc/22/15/06/1428221506.db2.gz GDQPTHNIUIEVME-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001732013543 1428228412 /nfs/dbraw/zinc/22/84/12/1428228412.db2.gz QTMQNYBDOFMCBR-JEJOPICUSA-N 2 0 343.943 3.219 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698569791 1406173510 /nfs/dbraw/zinc/17/35/10/1406173510.db2.gz PZIXKGXUCHIYFX-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001698574582 1406182377 /nfs/dbraw/zinc/18/23/77/1406182377.db2.gz QGUZOSIRTFEIRR-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580576 1406191808 /nfs/dbraw/zinc/19/18/08/1406191808.db2.gz DIMSZZMQEXQELP-RTBURBONSA-N 2 0 337.552 3.218 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001698581908 1406193947 /nfs/dbraw/zinc/19/39/47/1406193947.db2.gz PBGVWCLFFYPWLH-ZVJDNWNISA-N 2 0 349.563 3.386 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732071359 1428320023 /nfs/dbraw/zinc/32/00/23/1428320023.db2.gz MAIRYWSQQVNGSU-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001732080523 1428334886 /nfs/dbraw/zinc/33/48/86/1428334886.db2.gz UQLUKEFYTXTHHZ-RTBURBONSA-N 2 0 345.531 3.321 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CCCC2CCCC2)C1 ZINC001732082673 1428339259 /nfs/dbraw/zinc/33/92/59/1428339259.db2.gz DYUMAWYSEJCGCT-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP Cc1cccc([C@@H](C)[NH+](C)C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001732085039 1428344411 /nfs/dbraw/zinc/34/44/11/1428344411.db2.gz YGVVQEKXPOYYPY-RTBURBONSA-N 2 0 345.531 3.177 10 0 EGAERP CC[C@H](C(=O)N1CCC(C[N@H+](C)CC=C(C)C)CC1)[NH+](CC)CC ZINC001732087034 1428348387 /nfs/dbraw/zinc/34/83/87/1428348387.db2.gz IHLQEBZFQJHJHL-LJQANCHMSA-N 2 0 337.552 3.243 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732090216 1428355582 /nfs/dbraw/zinc/35/55/82/1428355582.db2.gz OAMZOANGSWDSBC-CQQBRXBZSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732147767 1428391252 /nfs/dbraw/zinc/39/12/52/1428391252.db2.gz BVVLMFXHQXPRLS-DSQZMVHQSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001732174768 1428419603 /nfs/dbraw/zinc/41/96/03/1428419603.db2.gz WIELYUUMYCZPIR-IRXDYDNUSA-N 2 0 325.541 3.076 10 0 EGAERP CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732213335 1428461425 /nfs/dbraw/zinc/46/14/25/1428461425.db2.gz YBWZDUSIBMHMNE-VQIMIIECSA-N 2 0 343.531 3.120 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CCC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001732258044 1428498645 /nfs/dbraw/zinc/49/86/45/1428498645.db2.gz BLSORWZEEQAGKJ-GHTZIAJQSA-N 2 0 349.563 3.317 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001732302739 1428520345 /nfs/dbraw/zinc/52/03/45/1428520345.db2.gz CZXPYTIGBSVUPP-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001732310477 1428523764 /nfs/dbraw/zinc/52/37/64/1428523764.db2.gz LTSLRUKLUKSMGH-DEHMMGLESA-N 2 0 347.547 3.377 10 0 EGAERP CC(C)(C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1)[NH+]1CCCC1 ZINC001732311067 1428524076 /nfs/dbraw/zinc/52/40/76/1428524076.db2.gz KQSQXYIPEKNHGC-QAQDUYKDSA-N 2 0 341.515 3.018 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732328697 1428535523 /nfs/dbraw/zinc/53/55/23/1428535523.db2.gz GIPHFKRHTQUTLP-WYNBNGFRSA-N 2 0 335.536 3.186 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]CC1CCCCC1 ZINC001732330295 1428536645 /nfs/dbraw/zinc/53/66/45/1428536645.db2.gz XPIDCVZYOUUEBU-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001732397465 1428564540 /nfs/dbraw/zinc/56/45/40/1428564540.db2.gz WVSORBXELJYSSS-SFHVURJKSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001732428171 1428576757 /nfs/dbraw/zinc/57/67/57/1428576757.db2.gz KOJDMUVIYJLIEN-HNNXBMFYSA-N 2 0 340.471 3.193 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733652314 1429845164 /nfs/dbraw/zinc/84/51/64/1429845164.db2.gz KHUFJVXAZRKMQS-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732467464 1428597024 /nfs/dbraw/zinc/59/70/24/1428597024.db2.gz XYIXFNDEEVWEDZ-OKZBNKHCSA-N 2 0 339.568 3.273 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001732491497 1428614183 /nfs/dbraw/zinc/61/41/83/1428614183.db2.gz QEUXZKWYCQMANA-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001732494322 1428616120 /nfs/dbraw/zinc/61/61/20/1428616120.db2.gz SKEOIVPNWCRRPA-XLIONFOSSA-N 2 0 345.531 3.235 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732508674 1428627823 /nfs/dbraw/zinc/62/78/23/1428627823.db2.gz YAMLIMGYKDFPGR-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001732513651 1428633092 /nfs/dbraw/zinc/63/30/92/1428633092.db2.gz FHCVOXLJYYDXDF-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699162861 1412545636 /nfs/dbraw/zinc/54/56/36/1412545636.db2.gz ZUUJPELSAGXHHN-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188927 1412561903 /nfs/dbraw/zinc/56/19/03/1412561903.db2.gz USKFGIAEFUGFOW-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699220126 1412584749 /nfs/dbraw/zinc/58/47/49/1412584749.db2.gz NBLHATCHYFJKGE-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001699314496 1412633336 /nfs/dbraw/zinc/63/33/36/1412633336.db2.gz NYFBFQUYRXOJSM-VOFKWLDRSA-N 2 0 343.515 3.022 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001699333873 1412645486 /nfs/dbraw/zinc/64/54/86/1412645486.db2.gz CDEQZMTTZAAMPZ-XFCCUVRLSA-N 2 0 349.906 3.005 10 0 EGAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699432669 1412751222 /nfs/dbraw/zinc/75/12/22/1412751222.db2.gz BMFAGCKJYWQXBZ-INIZCTEOSA-N 2 0 343.515 3.036 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001699444404 1412776212 /nfs/dbraw/zinc/77/62/12/1412776212.db2.gz CYIYFHUJVFYYQP-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699538486 1412912741 /nfs/dbraw/zinc/91/27/41/1412912741.db2.gz MMGYVPZJDMQWEB-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001699581095 1412937434 /nfs/dbraw/zinc/93/74/34/1412937434.db2.gz UVMNKNXBCCEWPI-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP O=C(N[C@@H](C[NH2+]CC1CCC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699590112 1412948257 /nfs/dbraw/zinc/94/82/57/1412948257.db2.gz SYYMMEOFUPJMMS-VQTJNVASSA-N 2 0 347.547 3.068 10 0 EGAERP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001699680367 1413074883 /nfs/dbraw/zinc/07/48/83/1413074883.db2.gz NVILNNVNAIDAJG-QQGXREIKSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001699682749 1413077166 /nfs/dbraw/zinc/07/71/66/1413077166.db2.gz RHKXEFMWZCBPGM-MGBKSAOESA-N 2 0 335.536 3.140 10 0 EGAERP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001699697792 1413108825 /nfs/dbraw/zinc/10/88/25/1413108825.db2.gz TVRBAFOFSZMGNS-NRFANRHFSA-N 2 0 349.563 3.367 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001699704583 1413119615 /nfs/dbraw/zinc/11/96/15/1413119615.db2.gz HWQFNSUCIGRFTN-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001699738971 1413150174 /nfs/dbraw/zinc/15/01/74/1413150174.db2.gz SFBDYMJHMXRUQB-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCC(C)C)C1 ZINC001699757368 1413164203 /nfs/dbraw/zinc/16/42/03/1413164203.db2.gz QUGSNEAUCKDCEZ-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001699806938 1413221391 /nfs/dbraw/zinc/22/13/91/1413221391.db2.gz WMPXQTYCKQUXIN-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001699806845 1413221682 /nfs/dbraw/zinc/22/16/82/1413221682.db2.gz UOMVPAHHAVACGV-YOXWTLATSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CCC2CCCC2)C1 ZINC001699827192 1413254353 /nfs/dbraw/zinc/25/43/53/1413254353.db2.gz VSMTUHNZRVCSQW-NRFANRHFSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699841514 1413269878 /nfs/dbraw/zinc/26/98/78/1413269878.db2.gz HGIHANVUAWCWTK-FQEVSTJZSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001699852631 1413281905 /nfs/dbraw/zinc/28/19/05/1413281905.db2.gz DZETXXHLLSMVGS-UYAOXDASSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001699978987 1413424016 /nfs/dbraw/zinc/42/40/16/1413424016.db2.gz JJFIEKLSAXSASD-IYARVYRRSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699983296 1413429691 /nfs/dbraw/zinc/42/96/91/1413429691.db2.gz ALWFWKJDUKMWDS-HXUWFJFHSA-N 2 0 345.531 3.134 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@@H]3[C@H]2CCCN3C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001700012246 1413455545 /nfs/dbraw/zinc/45/55/45/1413455545.db2.gz LYWLWXASOBJQIC-CSODTCANSA-N 2 0 349.563 3.076 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700068517 1413483742 /nfs/dbraw/zinc/48/37/42/1413483742.db2.gz OEVDOTNKPKGVFY-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001700104066 1413522135 /nfs/dbraw/zinc/52/21/35/1413522135.db2.gz AZYPWWJYQHKRBD-IRJFHVNHSA-N 2 0 345.531 3.427 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001700104887 1413523213 /nfs/dbraw/zinc/52/32/13/1413523213.db2.gz DWVGZJJSBBNINK-ZJOUEHCJSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1cc(C[NH2+]C2(CNC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CCC2)cs1 ZINC001700142799 1413564933 /nfs/dbraw/zinc/56/49/33/1413564933.db2.gz FIWMEYUVGXMMFL-GASCZTMLSA-N 2 0 349.544 3.058 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001700179209 1413590801 /nfs/dbraw/zinc/59/08/01/1413590801.db2.gz OJGSENFOUKGXBH-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001700179210 1413590908 /nfs/dbraw/zinc/59/09/08/1413590908.db2.gz OJGSENFOUKGXBH-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccccc2F)CC1 ZINC001700184382 1413602699 /nfs/dbraw/zinc/60/26/99/1413602699.db2.gz LQRTZOUADSQINA-SFHVURJKSA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001700187291 1413609656 /nfs/dbraw/zinc/60/96/56/1413609656.db2.gz OIGMNFBKGRNOQQ-UHFFFAOYSA-N 2 0 337.552 3.386 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187316 1413610329 /nfs/dbraw/zinc/61/03/29/1413610329.db2.gz OSLNPTMHJRXZNT-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001732554745 1428741678 /nfs/dbraw/zinc/74/16/78/1428741678.db2.gz JMIHCFWNIOLEAC-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700199725 1413643334 /nfs/dbraw/zinc/64/33/34/1413643334.db2.gz ZCNGJDFIXRKWRN-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700222726 1413671170 /nfs/dbraw/zinc/67/11/70/1413671170.db2.gz NHTWKFMTFSAFLL-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001700229786 1413687504 /nfs/dbraw/zinc/68/75/04/1413687504.db2.gz LVVVKQPUEBNYQF-IRUYWQDXSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCCC1 ZINC001732560713 1428750584 /nfs/dbraw/zinc/75/05/84/1428750584.db2.gz KCZHYOHSBYQJTP-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001700289586 1413739319 /nfs/dbraw/zinc/73/93/19/1413739319.db2.gz RABBSDGTYMFBOO-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700356550 1413858736 /nfs/dbraw/zinc/85/87/36/1413858736.db2.gz IHRJYCJVSZKVPY-MOPGFXCFSA-N 2 0 349.494 3.151 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)c1 ZINC001700365001 1413886870 /nfs/dbraw/zinc/88/68/70/1413886870.db2.gz SZPCOVYRCWQWCN-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP CC[C@@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C)c1ccc(F)cc1 ZINC001732571210 1428766487 /nfs/dbraw/zinc/76/64/87/1428766487.db2.gz ZIZYSJZRWRSWBJ-RTBURBONSA-N 2 0 349.494 3.103 10 0 EGAERP O=C(CCc1c[nH]cn1)NC1(C[NH2+]Cc2ccsc2)CCCCC1 ZINC001700512234 1414161694 /nfs/dbraw/zinc/16/16/94/1414161694.db2.gz RXRHHAFQUPVMPF-UHFFFAOYSA-N 2 0 346.500 3.013 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001700545546 1414214150 /nfs/dbraw/zinc/21/41/50/1414214150.db2.gz JGCIKNTUSCQTAN-LGYYHMKYSA-N 2 0 349.563 3.432 10 0 EGAERP CCc1cccc(C[N@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001732584973 1428797338 /nfs/dbraw/zinc/79/73/38/1428797338.db2.gz DWZQGBCBOCWNDC-HXUWFJFHSA-N 2 0 345.531 3.014 10 0 EGAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)cc1 ZINC001732585505 1428798132 /nfs/dbraw/zinc/79/81/32/1428798132.db2.gz QARNBCVKPXQZSE-HXUWFJFHSA-N 2 0 345.531 3.014 10 0 EGAERP C[C@H](CCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700662899 1414322104 /nfs/dbraw/zinc/32/21/04/1414322104.db2.gz ZJDKJPASCPLDEK-YLJYHZDGSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689323 1414341886 /nfs/dbraw/zinc/34/18/86/1414341886.db2.gz KNFLPQSPYNPAIX-QUCCMNQESA-N 2 0 345.531 3.244 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001700693369 1414346628 /nfs/dbraw/zinc/34/66/28/1414346628.db2.gz IASIWVPWBQNBIG-RTBURBONSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001700766852 1414442688 /nfs/dbraw/zinc/44/26/88/1414442688.db2.gz IDRLFMWRRUKKKJ-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC/C=C\c2ccccc2)[C@H]1C ZINC001700827297 1414482253 /nfs/dbraw/zinc/48/22/53/1414482253.db2.gz AVNVZJOESRUKSS-OFCQAKPVSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001700864171 1414514810 /nfs/dbraw/zinc/51/48/10/1414514810.db2.gz DRISJFOQLCZYRW-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001732591533 1428814998 /nfs/dbraw/zinc/81/49/98/1428814998.db2.gz VSUQNMFLRRSZHI-KRWDZBQOSA-N 2 0 347.528 3.132 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001700869891 1414523824 /nfs/dbraw/zinc/52/38/24/1414523824.db2.gz WSHHOHWBNJPBLX-WIYYLYMNSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001700872713 1414526035 /nfs/dbraw/zinc/52/60/35/1414526035.db2.gz HWKYLLUUPKSFCN-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)[C@H]1C ZINC001700884306 1414542127 /nfs/dbraw/zinc/54/21/27/1414542127.db2.gz CVVGPQMBKOZNDN-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001700888987 1414548140 /nfs/dbraw/zinc/54/81/40/1414548140.db2.gz RYTSPEFEVCMVKW-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001700972326 1414598509 /nfs/dbraw/zinc/59/85/09/1414598509.db2.gz FBOKUVVDVUPVTN-OALUTQOASA-N 2 0 339.568 3.322 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001701001578 1414654380 /nfs/dbraw/zinc/65/43/80/1414654380.db2.gz SFKVRENSFJIXQF-ZWKOTPCHSA-N 2 0 339.568 3.418 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001701007274 1414663901 /nfs/dbraw/zinc/66/39/01/1414663901.db2.gz VHYBPIQEFFYPQI-PWBPZBFBSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001701054675 1414710899 /nfs/dbraw/zinc/71/08/99/1414710899.db2.gz XUBRZSGZXAYOMU-AQIYZVDXSA-N 2 0 347.547 3.211 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001732621855 1428884949 /nfs/dbraw/zinc/88/49/49/1428884949.db2.gz VDVSXTOVFSVLHF-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732806206 1428985145 /nfs/dbraw/zinc/98/51/45/1428985145.db2.gz CXXRYSUBPHOTKC-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C(C)C)cc1)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001732808015 1428986400 /nfs/dbraw/zinc/98/64/00/1428986400.db2.gz XBCLMVPVTBQECT-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732825470 1428997734 /nfs/dbraw/zinc/99/77/34/1428997734.db2.gz MGYMUKBWJFUAIE-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1Cl ZINC001732863240 1429015675 /nfs/dbraw/zinc/01/56/75/1429015675.db2.gz QKSBTXMTGMCJGY-YVACAVLKSA-N 2 0 349.906 3.147 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001733028289 1429147296 /nfs/dbraw/zinc/14/72/96/1429147296.db2.gz VSTWCVHBQGOBNF-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)ccc2C)C1 ZINC001707119006 1417209107 /nfs/dbraw/zinc/20/91/07/1417209107.db2.gz IGOBHVMWFNGZJJ-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001707124355 1417210895 /nfs/dbraw/zinc/21/08/95/1417210895.db2.gz KHKFMVUGIYFQNM-QGZVFWFLSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001707193759 1417239537 /nfs/dbraw/zinc/23/95/37/1417239537.db2.gz SKRLVYMUGZHSCR-VMASUYHGSA-N 2 0 347.547 3.044 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1CC ZINC001707195693 1417240165 /nfs/dbraw/zinc/24/01/65/1417240165.db2.gz NNWMHRSNKCFGPO-RBUKOAKNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001707201956 1417243048 /nfs/dbraw/zinc/24/30/48/1417243048.db2.gz WEZFZAZJZGWVPT-PXIXMTEYSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001707234837 1417255990 /nfs/dbraw/zinc/25/59/90/1417255990.db2.gz PMMUXTVJEMONLT-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001707241630 1417261285 /nfs/dbraw/zinc/26/12/85/1417261285.db2.gz SEHHHNKXESQQPW-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)C)CC(C)(C)C1 ZINC001707282110 1417292440 /nfs/dbraw/zinc/29/24/40/1417292440.db2.gz UFLWTWUGJZOVDI-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001707419979 1417328188 /nfs/dbraw/zinc/32/81/88/1417328188.db2.gz ZTQCQHWELRAMNX-WOJBJXKFSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001707440382 1417344450 /nfs/dbraw/zinc/34/44/50/1417344450.db2.gz VARUAIOZXDHSRX-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450129 1417353994 /nfs/dbraw/zinc/35/39/94/1417353994.db2.gz ZGWXPSIMNMWBQL-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1=CCCCC1 ZINC001707452044 1417354861 /nfs/dbraw/zinc/35/48/61/1417354861.db2.gz NUDNDVOYLLCBTQ-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001712951655 1417510306 /nfs/dbraw/zinc/51/03/06/1417510306.db2.gz VXSGPOPWTMMHOM-SFHVURJKSA-N 2 0 331.504 3.060 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713095797 1417644546 /nfs/dbraw/zinc/64/45/46/1417644546.db2.gz SELMQFYFSHQIML-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001713098915 1417649403 /nfs/dbraw/zinc/64/94/03/1417649403.db2.gz YDYPPZYOWDDGPX-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CC[NH+](CC=C(C)C)CC1 ZINC001713100892 1417653761 /nfs/dbraw/zinc/65/37/61/1417653761.db2.gz JYEDCLUZXVAXOO-OALUTQOASA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713202465 1417772780 /nfs/dbraw/zinc/77/27/80/1417772780.db2.gz FKSIDMZLJIWYQY-FGTMMUONSA-N 2 0 337.552 3.312 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001713221977 1417807644 /nfs/dbraw/zinc/80/76/44/1417807644.db2.gz UTEKUQVSHGMVSL-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713252943 1417846484 /nfs/dbraw/zinc/84/64/84/1417846484.db2.gz JODFDUCUXDJFGT-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)=CC[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001713259635 1417867203 /nfs/dbraw/zinc/86/72/03/1417867203.db2.gz XNAJLTNYTUECIY-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713264911 1417872837 /nfs/dbraw/zinc/87/28/37/1417872837.db2.gz ZEJQEKIRQADKDC-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001713287845 1417914459 /nfs/dbraw/zinc/91/44/59/1417914459.db2.gz UIBMITBWFNJOAH-UHFFFAOYSA-N 2 0 337.533 3.240 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001713321140 1417945790 /nfs/dbraw/zinc/94/57/90/1417945790.db2.gz IXNJFCHVBBVRAA-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001713364543 1417978035 /nfs/dbraw/zinc/97/80/35/1417978035.db2.gz RCSOULFFGDOMBU-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@H](C(=O)NCC[N@H+](C)CCC1=CCCCC1)[NH+]1CCCCCC1 ZINC001713469643 1418136129 /nfs/dbraw/zinc/13/61/29/1418136129.db2.gz UBWYNEZDFTXXQO-GOSISDBHSA-N 2 0 335.536 3.189 10 0 EGAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733100737 1429241930 /nfs/dbraw/zinc/24/19/30/1429241930.db2.gz JTCBBXCDEWWFFY-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001713510838 1418239113 /nfs/dbraw/zinc/23/91/13/1418239113.db2.gz HTOLRNDCXIKLGY-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1=CCCCC1 ZINC001713641750 1418409182 /nfs/dbraw/zinc/40/91/82/1418409182.db2.gz WCBJHWWTILXPJL-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001713680295 1418432057 /nfs/dbraw/zinc/43/20/57/1418432057.db2.gz IVCHOKNCABOLNM-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001713684026 1418436895 /nfs/dbraw/zinc/43/68/95/1418436895.db2.gz GSTJXNCJXAEXBZ-CWHLKURSSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001713684696 1418437532 /nfs/dbraw/zinc/43/75/32/1418437532.db2.gz OCCBCRDHMPSOQZ-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001713740356 1418540376 /nfs/dbraw/zinc/54/03/76/1418540376.db2.gz RFYLTNUZGCIONJ-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)(C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCCC1 ZINC001733172457 1429275105 /nfs/dbraw/zinc/27/51/05/1429275105.db2.gz QPRATOJSCLATMY-SFHVURJKSA-N 2 0 349.563 3.172 10 0 EGAERP CCC(CC)C[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713909301 1418706256 /nfs/dbraw/zinc/70/62/56/1418706256.db2.gz OFTZBCGYYWAQIF-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001713910746 1418707223 /nfs/dbraw/zinc/70/72/23/1418707223.db2.gz PIWFUSOMZOQROT-VCHJUATPSA-N 2 0 347.547 3.138 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@@H]21 ZINC001713974438 1418754146 /nfs/dbraw/zinc/75/41/46/1418754146.db2.gz FKNKIELVZYZYBB-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCC3CCCCC3)CC[C@H]21 ZINC001713974440 1418754245 /nfs/dbraw/zinc/75/42/45/1418754245.db2.gz FKNKIELVZYZYBB-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713988685 1418765817 /nfs/dbraw/zinc/76/58/17/1418765817.db2.gz FPBPWVYCMZKNFH-VAJSFHODSA-N 2 0 347.547 3.377 10 0 EGAERP CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714040578 1418829927 /nfs/dbraw/zinc/82/99/27/1418829927.db2.gz RJKZSNXJUUWPLX-IRXDYDNUSA-N 2 0 343.531 3.025 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001714043779 1418835444 /nfs/dbraw/zinc/83/54/44/1418835444.db2.gz ZAZZVAPWKJHATP-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001714047849 1418844991 /nfs/dbraw/zinc/84/49/91/1418844991.db2.gz BRSBECFASBPLRY-NQIIRXRSSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081035 1418874551 /nfs/dbraw/zinc/87/45/51/1418874551.db2.gz QVSFDQDGFFTKNZ-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001714091608 1418885453 /nfs/dbraw/zinc/88/54/53/1418885453.db2.gz JXBHBLSWPMXOPY-HXUWFJFHSA-N 2 0 345.531 3.055 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCC1 ZINC001714106498 1418906116 /nfs/dbraw/zinc/90/61/16/1418906116.db2.gz AREQXMFYIXMFIV-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714156829 1418966911 /nfs/dbraw/zinc/96/69/11/1418966911.db2.gz QESSNCBOEQXZRB-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCCC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001714185414 1418992532 /nfs/dbraw/zinc/99/25/32/1418992532.db2.gz HSAHIBXIVJXQFV-RXVVDRJESA-N 2 0 349.563 3.317 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](CC[NH2+]CC3CCCC3)C2)CC1 ZINC001714231261 1419023719 /nfs/dbraw/zinc/02/37/19/1419023719.db2.gz BQDLFGSIZWYDTO-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001714239944 1419028878 /nfs/dbraw/zinc/02/88/78/1419028878.db2.gz YVEIZGNUQWGJJQ-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001733200270 1429304300 /nfs/dbraw/zinc/30/43/00/1429304300.db2.gz QLKWXKKNEGDAKQ-DXPXIUTNSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CCCC(C)(C)C ZINC001714259108 1419043215 /nfs/dbraw/zinc/04/32/15/1419043215.db2.gz YPKKQHKXYMVMLL-KRWDZBQOSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714350705 1419118481 /nfs/dbraw/zinc/11/84/81/1419118481.db2.gz AZKOFGAJHRFELZ-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001714364584 1419124921 /nfs/dbraw/zinc/12/49/21/1419124921.db2.gz WRTREOPBIYWHEY-WOJBJXKFSA-N 2 0 345.531 3.054 10 0 EGAERP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)CC2 ZINC001714366307 1419126519 /nfs/dbraw/zinc/12/65/19/1419126519.db2.gz NQQAHBOQLZUEOO-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714414041 1419152219 /nfs/dbraw/zinc/15/22/19/1419152219.db2.gz ZIBLYOHJCDOMGH-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001714414792 1419152755 /nfs/dbraw/zinc/15/27/55/1419152755.db2.gz YKEJGMUEZPZIFE-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714418892 1419155430 /nfs/dbraw/zinc/15/54/30/1419155430.db2.gz HMWWWWXCVSVNLO-FUHWJXTLSA-N 2 0 345.531 3.272 10 0 EGAERP CC[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714440389 1419172002 /nfs/dbraw/zinc/17/20/02/1419172002.db2.gz KILGVKOZNSPHJE-YJBOKZPZSA-N 2 0 342.487 3.225 10 0 EGAERP C[N@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714442198 1419174159 /nfs/dbraw/zinc/17/41/59/1419174159.db2.gz SCWDMYTXOHSCHS-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714447624 1419179638 /nfs/dbraw/zinc/17/96/38/1419179638.db2.gz HWTBPNGKYYIUCG-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001714449671 1419182527 /nfs/dbraw/zinc/18/25/27/1419182527.db2.gz YJKPQYPBUUCCHC-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001714492958 1419216675 /nfs/dbraw/zinc/21/66/75/1419216675.db2.gz BGQBFTNYQICYGR-XFHJGTJQSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001714495380 1419219474 /nfs/dbraw/zinc/21/94/74/1419219474.db2.gz MLXVRHHZKXSSTB-MSOLQXFVSA-N 2 0 345.531 3.136 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCCCC1 ZINC001714563346 1419291430 /nfs/dbraw/zinc/29/14/30/1419291430.db2.gz FVAAPBVKMIUMBR-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1ccccc1C ZINC001714589422 1419335600 /nfs/dbraw/zinc/33/56/00/1419335600.db2.gz ITOYTQDRZHDXOE-OTWHNJEPSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001714615818 1419378249 /nfs/dbraw/zinc/37/82/49/1419378249.db2.gz MQFFICMLTQNZBA-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001733216026 1429331780 /nfs/dbraw/zinc/33/17/80/1429331780.db2.gz KCPMJFNHSZWFOC-IPLHWJFFSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769675 1419500655 /nfs/dbraw/zinc/50/06/55/1419500655.db2.gz FKYJDRPGJVVGCR-SJLPKXTDSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001714810783 1419522166 /nfs/dbraw/zinc/52/21/66/1419522166.db2.gz DOLSHJXJPFBHTO-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CC(C)(C)C1 ZINC001714829943 1419540605 /nfs/dbraw/zinc/54/06/05/1419540605.db2.gz RYAZJRCYPDRQNL-NRFANRHFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714839740 1419552320 /nfs/dbraw/zinc/55/23/20/1419552320.db2.gz MONXBZMQFMRTAY-MOPGFXCFSA-N 2 0 331.504 3.105 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714839746 1419552466 /nfs/dbraw/zinc/55/24/66/1419552466.db2.gz MONXBZMQFMRTAY-RTBURBONSA-N 2 0 331.504 3.105 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001714863704 1419588596 /nfs/dbraw/zinc/58/85/96/1419588596.db2.gz VERSXDUVTKBPLT-ZWKOTPCHSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001714884812 1419624360 /nfs/dbraw/zinc/62/43/60/1419624360.db2.gz YHDHNPMKHRRBFV-ICSRJNTNSA-N 2 0 347.547 3.047 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001714980018 1419714717 /nfs/dbraw/zinc/71/47/17/1419714717.db2.gz XVNWXMALPLOQDR-WDSOQIARSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCCC2)C1 ZINC001714995985 1419728578 /nfs/dbraw/zinc/72/85/78/1419728578.db2.gz CTKPDGXXRLYTCR-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001715036893 1419772417 /nfs/dbraw/zinc/77/24/17/1419772417.db2.gz FDRMXYBRXZSDBO-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCC(C)(C)C ZINC001715066240 1419803195 /nfs/dbraw/zinc/80/31/95/1419803195.db2.gz FNIWRKAGKNXGCG-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001715139847 1419887449 /nfs/dbraw/zinc/88/74/49/1419887449.db2.gz ACQIMPDZRNUMOA-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715141417 1419888869 /nfs/dbraw/zinc/88/88/69/1419888869.db2.gz GQVGUMVDBSVNKJ-HNNXBMFYSA-N 2 0 337.533 3.052 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001715175865 1419911389 /nfs/dbraw/zinc/91/13/89/1419911389.db2.gz KHVJUVHUHOBZJT-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001715189857 1419922171 /nfs/dbraw/zinc/92/21/71/1419922171.db2.gz DQVKWZVOVOOAKM-FHWLQOOXSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001715192890 1419924952 /nfs/dbraw/zinc/92/49/52/1419924952.db2.gz XGJTVBXQICFQQP-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CCCCCC1 ZINC001715238178 1419968534 /nfs/dbraw/zinc/96/85/34/1419968534.db2.gz JMZXUNDTWATTSX-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715323053 1420030514 /nfs/dbraw/zinc/03/05/14/1420030514.db2.gz QYSKFKCUYNRRIC-QUCCMNQESA-N 2 0 345.531 3.135 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001715327061 1420033975 /nfs/dbraw/zinc/03/39/75/1420033975.db2.gz KEPVNWLEIXWWEY-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715333209 1420038429 /nfs/dbraw/zinc/03/84/29/1420038429.db2.gz UDNIACHQQBBNFT-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001715402984 1420102096 /nfs/dbraw/zinc/10/20/96/1420102096.db2.gz PMRVUYDVQRCRRY-MJGOQNOKSA-N 2 0 347.547 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1C ZINC001715449145 1420132552 /nfs/dbraw/zinc/13/25/52/1420132552.db2.gz XCHOQYICMHCHBM-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001715458444 1420139131 /nfs/dbraw/zinc/13/91/31/1420139131.db2.gz IMXXQRKSCUZISR-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001715468004 1420147106 /nfs/dbraw/zinc/14/71/06/1420147106.db2.gz SSTWRXQSGRCMOR-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)CC[C@@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001715489790 1420171180 /nfs/dbraw/zinc/17/11/80/1420171180.db2.gz HPAGZVKOILLHLB-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP CCC/C=C/CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001715496975 1420178327 /nfs/dbraw/zinc/17/83/27/1420178327.db2.gz BDPVYWIHWNKZDP-ROUKRRSUSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001715536291 1420231391 /nfs/dbraw/zinc/23/13/91/1420231391.db2.gz SLLJHJVNEQXXJA-GOSISDBHSA-N 2 0 333.520 3.096 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001715657329 1420281559 /nfs/dbraw/zinc/28/15/59/1420281559.db2.gz BSNWPESKAFCEJI-MSOLQXFVSA-N 2 0 325.541 3.027 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001715730785 1420315086 /nfs/dbraw/zinc/31/50/86/1420315086.db2.gz SAPDBRQTBSSEMS-QUCCMNQESA-N 2 0 345.531 3.191 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001715766261 1420332326 /nfs/dbraw/zinc/33/23/26/1420332326.db2.gz DSOPSXCULDRFJD-PMACEKPBSA-N 2 0 345.531 3.054 10 0 EGAERP CC1(C)CCC(C[NH2+]C/C=C/CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001715843720 1420364975 /nfs/dbraw/zinc/36/49/75/1420364975.db2.gz QNHCYVRFARQZBB-ONEGZZNKSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001715860432 1420370969 /nfs/dbraw/zinc/37/09/69/1420370969.db2.gz VRNHQIFSBGJYPA-OALUTQOASA-N 2 0 345.531 3.321 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001715861968 1420371908 /nfs/dbraw/zinc/37/19/08/1420371908.db2.gz GOFKPSRSVUANGE-DKRLNXSXSA-N 2 0 339.483 3.115 10 0 EGAERP CC1(C)CCC(C[NH2+]C/C=C\CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001715910775 1420393798 /nfs/dbraw/zinc/39/37/98/1420393798.db2.gz FIWUEHPECALQJF-PLNGDYQASA-N 2 0 349.563 3.341 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001716003850 1420457657 /nfs/dbraw/zinc/45/76/57/1420457657.db2.gz ZECNZWWVTTYULH-IRXDYDNUSA-N 2 0 343.515 3.061 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001716019545 1420474325 /nfs/dbraw/zinc/47/43/25/1420474325.db2.gz DMUPDWLHAPLAGX-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042574 1420505614 /nfs/dbraw/zinc/50/56/14/1420505614.db2.gz QQGKHWQSGRWLQP-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001716051533 1420515843 /nfs/dbraw/zinc/51/58/43/1420515843.db2.gz ZTAYFUVTAIPYSF-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001716168678 1420549030 /nfs/dbraw/zinc/54/90/30/1420549030.db2.gz QMVCETYAJZXMLB-AZUAARDMSA-N 2 0 345.531 3.101 10 0 EGAERP C[C@@H]([NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001716172894 1420550782 /nfs/dbraw/zinc/55/07/82/1420550782.db2.gz VUCLJFMYXCVXGA-DLBZAZTESA-N 2 0 347.547 3.481 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716410484 1420641177 /nfs/dbraw/zinc/64/11/77/1420641177.db2.gz XUVVSJOCAJRPPN-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001733269923 1429431532 /nfs/dbraw/zinc/43/15/32/1429431532.db2.gz SYKXXWAYWACSBJ-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001716496058 1420719921 /nfs/dbraw/zinc/71/99/21/1420719921.db2.gz NULCJBRBVSBBJD-KXBFYZLASA-N 2 0 343.531 3.072 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001716519931 1420748765 /nfs/dbraw/zinc/74/87/65/1420748765.db2.gz IERSYLRPELXVAN-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001716547958 1420757104 /nfs/dbraw/zinc/75/71/04/1420757104.db2.gz YMMFFXBVJARQGF-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)cc1 ZINC001716671273 1420827513 /nfs/dbraw/zinc/82/75/13/1420827513.db2.gz LVULGQDRLDAROQ-XLIONFOSSA-N 2 0 343.515 3.157 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716710919 1420863914 /nfs/dbraw/zinc/86/39/14/1420863914.db2.gz NZLBELRAGHUANX-PUROVWCESA-N 2 0 347.547 3.138 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCC[NH+](CC2CCCC2)C2CCCCCC2)C1 ZINC001716714629 1420869409 /nfs/dbraw/zinc/86/94/09/1420869409.db2.gz SIJAELGXVUOIIG-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001716723499 1420881175 /nfs/dbraw/zinc/88/11/75/1420881175.db2.gz KDUDVGYWOAAWEE-RXVVDRJESA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001716821753 1420947933 /nfs/dbraw/zinc/94/79/33/1420947933.db2.gz WRKIUADPUWCFCV-PXNSSMCTSA-N 2 0 345.531 3.272 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716851791 1420982981 /nfs/dbraw/zinc/98/29/81/1420982981.db2.gz RVMORVBVPJPLKQ-HCZHMGAMSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(C)CCC[NH+](CCC3CCCC3)C2)C1 ZINC001716901459 1421033235 /nfs/dbraw/zinc/03/32/35/1421033235.db2.gz IRCILQDAWGUZMT-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1 ZINC001717004449 1421073489 /nfs/dbraw/zinc/07/34/89/1421073489.db2.gz LTHFWFWHXBRROD-WGSAOQKQSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001717011549 1421077105 /nfs/dbraw/zinc/07/71/05/1421077105.db2.gz TVFAEZXXRBJIBH-KDURUIRLSA-N 2 0 349.563 3.221 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001717038776 1421092978 /nfs/dbraw/zinc/09/29/78/1421092978.db2.gz RDGDJWFZIAZDFY-PMACEKPBSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717038793 1421093211 /nfs/dbraw/zinc/09/32/11/1421093211.db2.gz RJPNXFKLQQFOCF-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001717039093 1421093703 /nfs/dbraw/zinc/09/37/03/1421093703.db2.gz SWKUCPKMKINTNY-OKZBNKHCSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2c(C)cccc2C)CC1)[NH+](C)C ZINC001717197059 1421163659 /nfs/dbraw/zinc/16/36/59/1421163659.db2.gz SBAORLRFVNMSOQ-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717212802 1421187498 /nfs/dbraw/zinc/18/74/98/1421187498.db2.gz NVCLUPZHWYPYRW-SFHVURJKSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCCN(C)C(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001717214733 1421191036 /nfs/dbraw/zinc/19/10/36/1421191036.db2.gz IUADBQKHQUVFIE-FQEVSTJZSA-N 2 0 345.531 3.042 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001733287468 1429462619 /nfs/dbraw/zinc/46/26/19/1429462619.db2.gz FXGLXLHOEYUKNY-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCCCC1)C2 ZINC001717270582 1421227609 /nfs/dbraw/zinc/22/76/09/1421227609.db2.gz DDFVKDRYRHUDKF-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP CCc1ccccc1C[NH2+]C1(C)CCN(C(=O)CC[N@@H+](C)CC)CC1 ZINC001717303037 1421244838 /nfs/dbraw/zinc/24/48/38/1421244838.db2.gz ANMJDJYQAOSRMF-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001717309078 1421251500 /nfs/dbraw/zinc/25/15/00/1421251500.db2.gz DWRLLVMERFRQPD-OKMMTOMJSA-N 2 0 349.563 3.290 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001717337997 1421275358 /nfs/dbraw/zinc/27/53/58/1421275358.db2.gz ONAZQTWJPJSQLP-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](CC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)CC(C)(C)C ZINC001717372976 1421313038 /nfs/dbraw/zinc/31/30/38/1421313038.db2.gz GBFGVJIGZFRDQN-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001717375889 1421317558 /nfs/dbraw/zinc/31/75/58/1421317558.db2.gz FXKYDMUUFQQJEC-OALUTQOASA-N 2 0 337.552 3.364 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001717424556 1421353643 /nfs/dbraw/zinc/35/36/43/1421353643.db2.gz HMPNYGXJQBEAOO-HOTGVXAUSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001717441650 1421370620 /nfs/dbraw/zinc/37/06/20/1421370620.db2.gz KJFYKLCSUDSOLQ-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC1CCCC1 ZINC001717471804 1421405169 /nfs/dbraw/zinc/40/51/69/1421405169.db2.gz GBHVCTOXRHAIIC-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001717474839 1421408677 /nfs/dbraw/zinc/40/86/77/1421408677.db2.gz UWVLMALGQUTFRQ-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP Cc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001717490023 1421427805 /nfs/dbraw/zinc/42/78/05/1421427805.db2.gz DMAQKIOSDKBPNO-QUCCMNQESA-N 2 0 345.531 3.194 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001717524014 1421459328 /nfs/dbraw/zinc/45/93/28/1421459328.db2.gz MYZVKZNQJLMEKF-ROUUACIJSA-N 2 0 335.536 3.212 10 0 EGAERP CCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001717525637 1421461269 /nfs/dbraw/zinc/46/12/69/1421461269.db2.gz XTBDTKUDEQEJMU-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717550664 1421488721 /nfs/dbraw/zinc/48/87/21/1421488721.db2.gz DPVSKKTXRKVUGX-YLJYHZDGSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001717558668 1421494706 /nfs/dbraw/zinc/49/47/06/1421494706.db2.gz JLIWGHMFCMSBEC-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1)c1ccccc1 ZINC001717560501 1421496657 /nfs/dbraw/zinc/49/66/57/1421496657.db2.gz SGRNCPGAQYRDNV-FXAWDEMLSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001717622533 1421531726 /nfs/dbraw/zinc/53/17/26/1421531726.db2.gz HWZHTBCOYFYSPG-FHWLQOOXSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001717630990 1421540520 /nfs/dbraw/zinc/54/05/20/1421540520.db2.gz LTPBTBYRGPMLIH-OYRHEFFESA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001717742612 1421606058 /nfs/dbraw/zinc/60/60/58/1421606058.db2.gz ZDMHHPQOKQOACW-UXHICEINSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001717745639 1421608634 /nfs/dbraw/zinc/60/86/34/1421608634.db2.gz ZPJZFVRTCKZEDQ-MSOLQXFVSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001717844937 1421659401 /nfs/dbraw/zinc/65/94/01/1421659401.db2.gz AHRCGYCCYJFWHI-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001717854091 1421665820 /nfs/dbraw/zinc/66/58/20/1421665820.db2.gz PKHBFLBIFNCJIG-IIFCEKJISA-N 2 0 335.536 3.186 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001717973832 1421745684 /nfs/dbraw/zinc/74/56/84/1421745684.db2.gz MMNWKBUPUZMPCP-LJQANCHMSA-N 2 0 347.547 3.264 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001717993072 1421761938 /nfs/dbraw/zinc/76/19/38/1421761938.db2.gz ZMSYFXWPXBUOHP-ACBHZAAOSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001718000384 1421767548 /nfs/dbraw/zinc/76/75/48/1421767548.db2.gz JQIZPKNGIPIHKW-SOAGJPPSSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CCC3=CCCCC3)CC2)CC1 ZINC001718003010 1421769464 /nfs/dbraw/zinc/76/94/64/1421769464.db2.gz BAVQNUGMCIXNIX-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001718003845 1421770286 /nfs/dbraw/zinc/77/02/86/1421770286.db2.gz SPSBBTZZZNBTDC-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001733336185 1429521088 /nfs/dbraw/zinc/52/10/88/1429521088.db2.gz RKNQRXPNKXQNCY-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001733358795 1429541185 /nfs/dbraw/zinc/54/11/85/1429541185.db2.gz UEYWAIBJAJLPAI-VOFKWLDRSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001733359508 1429541853 /nfs/dbraw/zinc/54/18/53/1429541853.db2.gz AZLIXOMVQUJQFQ-SFHVURJKSA-N 2 0 349.494 3.199 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001733363968 1429549671 /nfs/dbraw/zinc/54/96/71/1429549671.db2.gz XJBKLJFTKBVHGG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CCCC1 ZINC001733383982 1429569968 /nfs/dbraw/zinc/56/99/68/1429569968.db2.gz QMQRKLWASRAZIU-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@]2(C)CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001733444507 1429653292 /nfs/dbraw/zinc/65/32/92/1429653292.db2.gz BDCSUAONFABUOP-OAQYLSRUSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001722950577 1424273633 /nfs/dbraw/zinc/27/36/33/1424273633.db2.gz BCHXIFGVKOCUNK-QUCCMNQESA-N 2 0 345.531 3.020 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1CC ZINC001723369840 1424373988 /nfs/dbraw/zinc/37/39/88/1424373988.db2.gz FJHQJQJJWANJBI-WAQVGJNASA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001723371435 1424374706 /nfs/dbraw/zinc/37/47/06/1424374706.db2.gz MHMUIEXUWBZUPM-RBUKOAKNSA-N 2 0 349.563 3.412 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H]2CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001723430124 1424399055 /nfs/dbraw/zinc/39/90/55/1424399055.db2.gz WNPDPXHFUQFHLE-ACBHZAAOSA-N 2 0 349.563 3.268 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001723430125 1424399886 /nfs/dbraw/zinc/39/98/86/1424399886.db2.gz WNPDPXHFUQFHLE-CTWPCTMYSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001723594542 1424480712 /nfs/dbraw/zinc/48/07/12/1424480712.db2.gz GCOXGUWAROFEJO-MJGOQNOKSA-N 2 0 343.515 3.169 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001723595138 1424481417 /nfs/dbraw/zinc/48/14/17/1424481417.db2.gz MKRUFSFEWBFEKK-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001723618826 1424496313 /nfs/dbraw/zinc/49/63/13/1424496313.db2.gz YXGIKZABMVQNES-IHWFROFDSA-N 2 0 349.563 3.409 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733529147 1429736134 /nfs/dbraw/zinc/73/61/34/1429736134.db2.gz PHDBWTZICJLFSO-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001723690324 1424531141 /nfs/dbraw/zinc/53/11/41/1424531141.db2.gz HTIBGSNFSYKCMC-PZJWPPBQSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001723745543 1424557110 /nfs/dbraw/zinc/55/71/10/1424557110.db2.gz ORQFMOGZLOMSHX-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001723950295 1424609856 /nfs/dbraw/zinc/60/98/56/1424609856.db2.gz WPMCCNRKSFXWJX-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001724089965 1424656632 /nfs/dbraw/zinc/65/66/32/1424656632.db2.gz UCIHADSHSHMMQB-GOSISDBHSA-N 2 0 337.552 3.312 10 0 EGAERP CC1CC(C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C2CCCC2)C1 ZINC001724097542 1424661025 /nfs/dbraw/zinc/66/10/25/1424661025.db2.gz LLWBBFKWIBHGKH-FAFZWHIHSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001724173118 1424707758 /nfs/dbraw/zinc/70/77/58/1424707758.db2.gz BHOKEOCLHLVWJJ-WIYYLYMNSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724213619 1424736518 /nfs/dbraw/zinc/73/65/18/1424736518.db2.gz HWXYXISJAFMEAV-PVTFFILZSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001724330315 1424821603 /nfs/dbraw/zinc/82/16/03/1424821603.db2.gz NFUKTNAWJQUTIT-BJLQDIEVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001724558881 1424912924 /nfs/dbraw/zinc/91/29/24/1424912924.db2.gz LDYHTKYRUARDFE-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001724613135 1424955946 /nfs/dbraw/zinc/95/59/46/1424955946.db2.gz SAUGWNZTINUMMT-WGSAOQKQSA-N 2 0 337.552 3.031 10 0 EGAERP O=C(N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001724710818 1425066506 /nfs/dbraw/zinc/06/65/06/1425066506.db2.gz LUFCKHZCQOPXHP-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001724742473 1425108878 /nfs/dbraw/zinc/10/88/78/1425108878.db2.gz AMEUQJSDYHLPAK-APWZRJJASA-N 2 0 343.515 3.095 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001724753106 1425123188 /nfs/dbraw/zinc/12/31/88/1425123188.db2.gz XWKCPIPUBXYEQC-IRXDYDNUSA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3CC(C)C)C2)CC1 ZINC001724758937 1425129584 /nfs/dbraw/zinc/12/95/84/1425129584.db2.gz FJFSERRQNFQFHI-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724833208 1425178831 /nfs/dbraw/zinc/17/88/31/1425178831.db2.gz BXCXMSXDXRNNSN-QWNKOJSDSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001724902668 1425297003 /nfs/dbraw/zinc/29/70/03/1425297003.db2.gz XUPYYPKFUJWUMX-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC001724946539 1425331814 /nfs/dbraw/zinc/33/18/14/1425331814.db2.gz MQVQUMHHSBEWRC-PXNSSMCTSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001724968713 1425365009 /nfs/dbraw/zinc/36/50/09/1425365009.db2.gz FBAHAUCMJVDKEB-ZGKJDNBHSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001724991287 1425394401 /nfs/dbraw/zinc/39/44/01/1425394401.db2.gz CDERVXADWFBNED-JISXSJDESA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001724999035 1425407769 /nfs/dbraw/zinc/40/77/69/1425407769.db2.gz RHMRWALFYLNOLY-HEVSSNLLSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001725006486 1425420798 /nfs/dbraw/zinc/42/07/98/1425420798.db2.gz JBMHGDYEBHSXNN-HKUYNNGSSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001725056182 1425492796 /nfs/dbraw/zinc/49/27/96/1425492796.db2.gz AARINFPIACMJHF-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725057414 1425495563 /nfs/dbraw/zinc/49/55/63/1425495563.db2.gz HJSKCPSTCUHJCH-FQEVSTJZSA-N 2 0 343.515 3.251 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130528 1425599113 /nfs/dbraw/zinc/59/91/13/1425599113.db2.gz ROVFRUUOHGMMBB-HOTGVXAUSA-N 2 0 325.541 3.026 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725135248 1425608846 /nfs/dbraw/zinc/60/88/46/1425608846.db2.gz QBAKUUPWATXXQI-DDABTOOBSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC1CCCC1 ZINC001725174319 1425687132 /nfs/dbraw/zinc/68/71/32/1425687132.db2.gz QKPIGICWXQCNQT-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001725239335 1425836961 /nfs/dbraw/zinc/83/69/61/1425836961.db2.gz XJUDEAZUXUIBKK-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001725263273 1425895874 /nfs/dbraw/zinc/89/58/74/1425895874.db2.gz HZZIUZMQYZVICM-LPHOPBHVSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001725288895 1425930753 /nfs/dbraw/zinc/93/07/53/1425930753.db2.gz KATLGBIKXGOYQY-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001725344675 1425996471 /nfs/dbraw/zinc/99/64/71/1425996471.db2.gz RSEYZYZSBYANFN-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001725511045 1426198319 /nfs/dbraw/zinc/19/83/19/1426198319.db2.gz XBNUVHDHPHWHSK-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001725623349 1426288671 /nfs/dbraw/zinc/28/86/71/1426288671.db2.gz HKDWYURBTQGDRD-XLGQSGQMSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)(C(=O)N[C@@H]1CC[C@@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001725649284 1426332126 /nfs/dbraw/zinc/33/21/26/1426332126.db2.gz GKUPWUGQDCDMRE-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684635 1426372026 /nfs/dbraw/zinc/37/20/26/1426372026.db2.gz RPMRZQVXFFFUTK-CRAIPNDOSA-N 2 0 349.494 3.054 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001725734268 1426407902 /nfs/dbraw/zinc/40/79/02/1426407902.db2.gz ZCXDSQWNPOVFKX-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001731387509 1427335437 /nfs/dbraw/zinc/33/54/37/1427335437.db2.gz ITNVLKMTAHBPOO-GOSISDBHSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001731402403 1427363183 /nfs/dbraw/zinc/36/31/83/1427363183.db2.gz LFLPGTXKRQRILQ-VDGAXYAQSA-N 2 0 347.547 3.092 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731498974 1427477693 /nfs/dbraw/zinc/47/76/93/1427477693.db2.gz BNWHAGUEYPVZFT-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001731524186 1427512881 /nfs/dbraw/zinc/51/28/81/1427512881.db2.gz DTEJZPOKWSTRFV-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001731541054 1427548290 /nfs/dbraw/zinc/54/82/90/1427548290.db2.gz GITWAYXSNVHSTJ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731559833 1427592258 /nfs/dbraw/zinc/59/22/58/1427592258.db2.gz PPHJZQKQWLAPRO-SJORKVTESA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731559830 1427593101 /nfs/dbraw/zinc/59/31/01/1427593101.db2.gz PPHJZQKQWLAPRO-DLBZAZTESA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CCC(C)CC1 ZINC001731641601 1427701986 /nfs/dbraw/zinc/70/19/86/1427701986.db2.gz UIZALYHTJIARFJ-JLAWEPINSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC(C)C)C1 ZINC001731832227 1428043869 /nfs/dbraw/zinc/04/38/69/1428043869.db2.gz XBVRGAKUVCHXRK-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001731837908 1428055923 /nfs/dbraw/zinc/05/59/23/1428055923.db2.gz IVLFPMDPZRMDRZ-KKHYBRAUSA-N 2 0 343.515 3.299 10 0 EGAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731870672 1428126295 /nfs/dbraw/zinc/12/62/95/1428126295.db2.gz KYFIFEAFCHRWIA-IRXDYDNUSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001731882274 1428153779 /nfs/dbraw/zinc/15/37/79/1428153779.db2.gz JEELQGOYCMYSFY-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001731882277 1428153800 /nfs/dbraw/zinc/15/38/00/1428153800.db2.gz JEELQGOYCMYSFY-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CC/C=C/c1ccccc1 ZINC001731985776 1428197218 /nfs/dbraw/zinc/19/72/18/1428197218.db2.gz DNGZMOMZEOGESG-BZZHFGAJSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001733690263 1429906993 /nfs/dbraw/zinc/90/69/93/1429906993.db2.gz ZXWVISFYTNLXCD-BJLQDIEVSA-N 2 0 345.531 3.272 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001733718094 1429937410 /nfs/dbraw/zinc/93/74/10/1429937410.db2.gz HLYIJBVAABQJNN-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001733762832 1429980338 /nfs/dbraw/zinc/98/03/38/1429980338.db2.gz QJCZRMRHPPNZJJ-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001733810989 1430088446 /nfs/dbraw/zinc/08/84/46/1430088446.db2.gz BRLYAZRHDBCAEX-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001733811282 1430089729 /nfs/dbraw/zinc/08/97/29/1430089729.db2.gz CGZMZXRMHDYFRX-GVZHBMFQSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001733861582 1437691255 /nfs/dbraw/zinc/69/12/55/1437691255.db2.gz OZYYYVANUWYFHW-LPHOPBHVSA-N 2 0 345.531 3.235 10 0 EGAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001733862489 1437691722 /nfs/dbraw/zinc/69/17/22/1437691722.db2.gz CLVMYLISARWXTA-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001733879572 1437706265 /nfs/dbraw/zinc/70/62/65/1437706265.db2.gz SALDUBWASLMFSN-RURPWVQCSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001733901057 1437719405 /nfs/dbraw/zinc/71/94/05/1437719405.db2.gz MQSTYCNHDJGEPQ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001733907099 1437725320 /nfs/dbraw/zinc/72/53/20/1437725320.db2.gz KUDJLJNIOHULFN-PXNSSMCTSA-N 2 0 345.531 3.090 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC(CC)CC ZINC001733928737 1437741458 /nfs/dbraw/zinc/74/14/58/1437741458.db2.gz KYBYGHIFBIUJAS-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001733975043 1437774813 /nfs/dbraw/zinc/77/48/13/1437774813.db2.gz XQTZJTDYTQQSOI-DLBZAZTESA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@H](C)[NH2+]CC1CCCC1 ZINC001733980165 1437777740 /nfs/dbraw/zinc/77/77/40/1437777740.db2.gz BRLOVYDRFRMAAB-IRXDYDNUSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001733987232 1437783288 /nfs/dbraw/zinc/78/32/88/1437783288.db2.gz JNLKQWOYDVSMBG-QZTJIDSGSA-N 2 0 347.547 3.264 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001734432017 1438095139 /nfs/dbraw/zinc/09/51/39/1438095139.db2.gz YPPGPIINICKQFP-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001734455302 1438112737 /nfs/dbraw/zinc/11/27/37/1438112737.db2.gz DVGXYCSLEDITAD-MJGOQNOKSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001734482009 1438127495 /nfs/dbraw/zinc/12/74/95/1438127495.db2.gz QUTUREOZIWDDOU-RBUKOAKNSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001734489853 1438129965 /nfs/dbraw/zinc/12/99/65/1438129965.db2.gz XVQNCBSEKBTPMQ-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001734547761 1438143561 /nfs/dbraw/zinc/14/35/61/1438143561.db2.gz OOMVIRQALNGFEJ-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734553381 1438151652 /nfs/dbraw/zinc/15/16/52/1438151652.db2.gz BYLGAIFCEJEMGX-MOPGFXCFSA-N 2 0 339.568 3.466 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)c(C)c1 ZINC001734556117 1438155094 /nfs/dbraw/zinc/15/50/94/1438155094.db2.gz OKCKDMDMTBOIMU-RBUKOAKNSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001734563387 1438160193 /nfs/dbraw/zinc/16/01/93/1438160193.db2.gz XNQOCIQOJCYPJQ-RTBURBONSA-N 2 0 349.563 3.314 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001734574687 1438168200 /nfs/dbraw/zinc/16/82/00/1438168200.db2.gz CNOREZKTGBRAKL-SFHVURJKSA-N 2 0 333.520 3.282 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001734606011 1438186001 /nfs/dbraw/zinc/18/60/01/1438186001.db2.gz YVPCJIURLVKQFA-ACBHZAAOSA-N 2 0 337.552 3.122 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356830648 282080975 /nfs/dbraw/zinc/08/09/75/282080975.db2.gz ARRGCBZTMLASEH-UHFFFAOYSA-N 2 0 335.458 3.113 10 0 EGAERP C[C@H]([NH3+])c1ccc(OCC[C@H]2CCC[N@@H+]2C)c(Br)c1 ZINC000061699641 214673246 /nfs/dbraw/zinc/67/32/46/214673246.db2.gz LWPFGAMNPOQEBE-WCQYABFASA-N 2 0 327.266 3.332 10 0 EGAERP CCC[C@@](C)([NH3+])C(=O)Nc1ccc(OCC[NH+]2CCCCC2)cc1 ZINC000262092601 244799442 /nfs/dbraw/zinc/79/94/42/244799442.db2.gz ATUCZGDGHSDRKO-LJQANCHMSA-N 2 0 333.476 3.007 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@H](C)C[NH+]2CCCC2)cc1NC(C)=O ZINC000165320414 533109809 /nfs/dbraw/zinc/10/98/09/533109809.db2.gz ZVPSZWMHDFNCND-LSDHHAIUSA-N 2 0 333.476 3.036 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000237511383 141005640 /nfs/dbraw/zinc/00/56/40/141005640.db2.gz DJOOPKSEUJHNQS-WNHJNPCNSA-N 2 0 343.515 3.153 10 0 EGAERP C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000246840381 141037330 /nfs/dbraw/zinc/03/73/30/141037330.db2.gz CDEVSQYGTGHRSV-QZTJIDSGSA-N 2 0 333.520 3.152 10 0 EGAERP C[C@@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000246989456 141047736 /nfs/dbraw/zinc/04/77/36/141047736.db2.gz KDTRLSFNJTWRFW-QZTJIDSGSA-N 2 0 333.520 3.152 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000344550000 141172050 /nfs/dbraw/zinc/17/20/50/141172050.db2.gz QTBADUCVWTZBEV-NQIIRXRSSA-N 3 0 329.532 3.492 10 0 EGAERP c1cn(-c2csc(C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)c2)cn1 ZINC000346191340 141176923 /nfs/dbraw/zinc/17/69/23/141176923.db2.gz BBZASYFRDOVQAN-MRXNPFEDSA-N 2 0 330.501 3.384 10 0 EGAERP CCCN(CCC[NH+](C)C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000347902812 141213211 /nfs/dbraw/zinc/21/32/11/141213211.db2.gz JUAJHXUFSWEZDG-UHFFFAOYSA-N 2 0 331.504 3.086 10 0 EGAERP CN1CCC(CNC(=O)c2ccc(Cl)cc2)([NH+]2CCCCC2)CC1 ZINC000172754494 144027320 /nfs/dbraw/zinc/02/73/20/144027320.db2.gz JVDFNLAMZFVWPQ-UHFFFAOYSA-N 2 0 349.906 3.020 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194737325 153354843 /nfs/dbraw/zinc/35/48/43/153354843.db2.gz NWPGACGICVWTBF-QZTJIDSGSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737310 153354961 /nfs/dbraw/zinc/35/49/61/153354961.db2.gz NWPGACGICVWTBF-ZWKOTPCHSA-N 2 0 343.515 3.060 10 0 EGAERP CCN(C(=O)CN(CCC[NH3+])Cc1ccccc1)C1CCCCC1 ZINC000310036403 154139840 /nfs/dbraw/zinc/13/98/40/154139840.db2.gz KIBRNYPLVUHSCY-UHFFFAOYSA-N 2 0 331.504 3.019 10 0 EGAERP COc1cccc([C@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000370688923 286466059 /nfs/dbraw/zinc/46/60/59/286466059.db2.gz JXKASOFZDAPESU-SFHVURJKSA-N 2 0 345.531 3.247 10 0 EGAERP CC(C)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000341061507 155131175 /nfs/dbraw/zinc/13/11/75/155131175.db2.gz OVCAUUPCIZSZQB-HXUWFJFHSA-N 2 0 343.515 3.106 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000346860172 156166774 /nfs/dbraw/zinc/16/67/74/156166774.db2.gz IXHPDLQTZRHOPN-QGZVFWFLSA-N 2 0 345.531 3.455 10 0 EGAERP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc2c[nH+]cn2c1 ZINC000345892524 164289197 /nfs/dbraw/zinc/28/91/97/164289197.db2.gz UGWBXSRFPYYXAY-UHFFFAOYSA-N 2 0 328.460 3.061 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000350661466 165062863 /nfs/dbraw/zinc/06/28/63/165062863.db2.gz QDCYBUJCIIMYOB-UHFFFAOYSA-N 2 0 326.488 3.251 10 0 EGAERP CCC[N@H+](CC)C[C@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000359773245 167228476 /nfs/dbraw/zinc/22/84/76/167228476.db2.gz IEIUYXYRMSQEPK-KRWDZBQOSA-N 2 0 331.504 3.133 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@H]21 ZINC000367619850 168250192 /nfs/dbraw/zinc/25/01/92/168250192.db2.gz XFFRZKNDZBGXST-PCCBWWKXSA-N 3 0 327.516 3.245 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367617037 168250302 /nfs/dbraw/zinc/25/03/02/168250302.db2.gz PIYANVSVUCXGPA-ZCNNSNEGSA-N 2 0 343.515 3.131 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000367914921 168283854 /nfs/dbraw/zinc/28/38/54/168283854.db2.gz BHWNLALDXMAUTB-OAQYLSRUSA-N 2 0 343.515 3.192 10 0 EGAERP C[NH+]1CCC(O)(C[NH2+][C@@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000270023891 266403573 /nfs/dbraw/zinc/40/35/73/266403573.db2.gz OUVICAGGHVFBHB-GOSISDBHSA-N 2 0 344.499 3.259 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)CC1CC[NH+](C)CC1 ZINC000273264691 267009115 /nfs/dbraw/zinc/00/91/15/267009115.db2.gz UGKQSWJMUUUNFY-UHFFFAOYSA-N 2 0 347.503 3.078 10 0 EGAERP C[NH+]1CCC(CC(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC1 ZINC000273296134 267014926 /nfs/dbraw/zinc/01/49/26/267014926.db2.gz YWNKCMFAPZGCJP-UHFFFAOYSA-N 2 0 343.515 3.385 10 0 EGAERP C[C@H]1C[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000279255134 275316680 /nfs/dbraw/zinc/31/66/80/275316680.db2.gz UEGNSLDKAIAWLK-WMZOPIPTSA-N 2 0 329.488 3.341 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000354577735 281170213 /nfs/dbraw/zinc/17/02/13/281170213.db2.gz XYYGBTBDEXLDHV-FXAWDEMLSA-N 2 0 338.499 3.005 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000375861996 290216592 /nfs/dbraw/zinc/21/65/92/290216592.db2.gz QJUZROVZNKVQSR-SLFFLAALSA-N 2 0 328.500 3.197 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378870 307973568 /nfs/dbraw/zinc/97/35/68/307973568.db2.gz BLITXHXPZARUEY-YESZJQIVSA-N 2 0 339.524 3.096 10 0 EGAERP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248990551 308016587 /nfs/dbraw/zinc/01/65/87/308016587.db2.gz FTCHDYUQIVYZOT-WRTQPQOASA-N 2 0 328.500 3.444 10 0 EGAERP CC(C)[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000275406874 308067213 /nfs/dbraw/zinc/06/72/13/308067213.db2.gz AMXXBVPPZNESBN-NJYVYQBISA-N 2 0 329.532 3.184 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@@H](C)C2)CC1 ZINC000414498019 309084630 /nfs/dbraw/zinc/08/46/30/309084630.db2.gz LXJSAZOCVBJOLG-WMZOPIPTSA-N 2 0 333.545 3.202 10 0 EGAERP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414523034 309086282 /nfs/dbraw/zinc/08/62/82/309086282.db2.gz HRGZGBKCCKECEU-MOPGFXCFSA-N 2 0 348.556 3.133 10 0 EGAERP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414808128 309102710 /nfs/dbraw/zinc/10/27/10/309102710.db2.gz KGNHYMXDMVPFFW-CQSZACIVSA-N 2 0 336.439 3.395 10 0 EGAERP CCOc1c(OC)cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414811175 309102954 /nfs/dbraw/zinc/10/29/54/309102954.db2.gz OXDODVWAXABYPS-CQSZACIVSA-N 2 0 344.455 3.412 10 0 EGAERP CCCOc1ccc(Br)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824909 309103975 /nfs/dbraw/zinc/10/39/75/309103975.db2.gz BLMGZJQZVBKWSX-CYBMUJFWSA-N 2 0 341.293 3.327 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000327205414 308771240 /nfs/dbraw/zinc/77/12/40/308771240.db2.gz GFGFCKCSFHGNQD-FQEVSTJZSA-N 2 0 339.483 3.001 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000397687433 308904641 /nfs/dbraw/zinc/90/46/41/308904641.db2.gz ONOUTTLZSLKISH-INIZCTEOSA-N 2 0 330.497 3.426 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852239 309105655 /nfs/dbraw/zinc/10/56/55/309105655.db2.gz VUVBNURKUJUJPY-NRFANRHFSA-N 2 0 349.482 3.489 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414948469 309110720 /nfs/dbraw/zinc/11/07/20/309110720.db2.gz YLQBMRVHARSGNX-OXJNMPFZSA-N 2 0 347.466 3.022 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414954296 309111104 /nfs/dbraw/zinc/11/11/04/309111104.db2.gz KIVCXZDAWWIYKI-JOYOIKCWSA-N 2 0 349.219 3.138 10 0 EGAERP CCCCOc1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415056297 309117019 /nfs/dbraw/zinc/11/70/19/309117019.db2.gz PUTRHIABZQWXGK-UHFFFAOYSA-N 2 0 345.531 3.172 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415074507 309118554 /nfs/dbraw/zinc/11/85/54/309118554.db2.gz AHJWTQCFRSZJQC-GUDVDZBRSA-N 2 0 343.515 3.174 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000415081092 309118915 /nfs/dbraw/zinc/11/89/15/309118915.db2.gz JZWGKBAINPRMAU-KZNAEPCWSA-N 2 0 332.488 3.147 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[NH2+][C@H](C)C1 ZINC000415114885 309121251 /nfs/dbraw/zinc/12/12/51/309121251.db2.gz GJUSXBVRUSOKKI-SJORKVTESA-N 2 0 326.488 3.473 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000415961727 309151512 /nfs/dbraw/zinc/15/15/12/309151512.db2.gz WGAJKOBSMQWBID-WBVHZDCISA-N 2 0 332.492 3.133 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000417209895 309197507 /nfs/dbraw/zinc/19/75/07/309197507.db2.gz CVUWWCWUNYLXTA-QINHECLXSA-N 2 0 346.519 3.016 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000417209893 309197582 /nfs/dbraw/zinc/19/75/82/309197582.db2.gz CVUWWCWUNYLXTA-GUXCAODWSA-N 2 0 346.519 3.016 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CC3 ZINC000421365382 309320495 /nfs/dbraw/zinc/32/04/95/309320495.db2.gz AIKNOFICLAEDPM-HWOWSKLDSA-N 2 0 341.499 3.496 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422709452 309364179 /nfs/dbraw/zinc/36/41/79/309364179.db2.gz DJXXOQYECLWXTB-IBGZPJMESA-N 2 0 347.503 3.049 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000422757152 309366822 /nfs/dbraw/zinc/36/68/22/309366822.db2.gz IFFPXAYFENPQFO-HOTGVXAUSA-N 2 0 327.472 3.352 10 0 EGAERP CCN(CC)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(OC)c1 ZINC000422795814 309368896 /nfs/dbraw/zinc/36/88/96/309368896.db2.gz IDMOXWLNQSJOEY-NLPFYKDJSA-N 2 0 333.520 3.185 10 0 EGAERP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818903 309370102 /nfs/dbraw/zinc/37/01/02/309370102.db2.gz HJMLQAHQACNUMC-PWRODBHTSA-N 2 0 338.499 3.315 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837608 309371199 /nfs/dbraw/zinc/37/11/99/309371199.db2.gz MLENYILVGKNBHS-HXUWFJFHSA-N 2 0 340.467 3.132 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896988 309374883 /nfs/dbraw/zinc/37/48/83/309374883.db2.gz BCBXZFCEPDCKNU-QRVBRYPASA-N 2 0 345.531 3.422 10 0 EGAERP CC[C@H]([NH2+]CC1(c2cc(C)ccc2OC)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422898903 309374921 /nfs/dbraw/zinc/37/49/21/309374921.db2.gz NFECOCYQWSYIEN-OALUTQOASA-N 2 0 346.515 3.172 10 0 EGAERP [NH3+][C@H]1CCCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900637 309375105 /nfs/dbraw/zinc/37/51/05/309375105.db2.gz AQFWBZJWBUHOAU-KKURMSBHSA-N 2 0 327.516 3.432 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[NH2+]CC[C@H]2C)CCOCC1 ZINC000422901267 309375265 /nfs/dbraw/zinc/37/52/65/309375265.db2.gz RTZKWCBDAQQVEI-MJGOQNOKSA-N 2 0 346.515 3.030 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(OC)cc2)CCCCC1 ZINC000422903369 309375365 /nfs/dbraw/zinc/37/53/65/309375365.db2.gz OKWQOPXSDJZYRJ-GOSISDBHSA-N 2 0 334.504 3.241 10 0 EGAERP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916757 309376008 /nfs/dbraw/zinc/37/60/08/309376008.db2.gz DZPXARVFBWPVTJ-KHHDVDEJSA-N 2 0 334.463 3.463 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937828 309377263 /nfs/dbraw/zinc/37/72/63/309377263.db2.gz OZTAROYVXYSVKD-PZJWPPBQSA-N 2 0 342.483 3.437 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422962664 309378558 /nfs/dbraw/zinc/37/85/58/309378558.db2.gz GGUOCVRYRDRXGN-CQSZACIVSA-N 2 0 340.471 3.416 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC[C@H]1CCCCO1 ZINC000423029475 309381752 /nfs/dbraw/zinc/38/17/52/309381752.db2.gz ALQNTYDZPOWFAV-IMFGXOCKSA-N 2 0 330.472 3.181 10 0 EGAERP [NH3+][C@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093081 309385492 /nfs/dbraw/zinc/38/54/92/309385492.db2.gz FSJFIFOXWFAESN-GVARAGBVSA-N 2 0 327.241 3.304 10 0 EGAERP C[C@@H]([NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1C[NH2+]C1 ZINC000423108042 309386346 /nfs/dbraw/zinc/38/63/46/309386346.db2.gz QQRUOVNWFUDLGP-QETMAYKZSA-N 3 0 347.934 3.451 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423126058 309387155 /nfs/dbraw/zinc/38/71/55/309387155.db2.gz ANYHUGUSHUQJNX-LLVKDONJSA-N 2 0 338.377 3.156 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2ccc(C3CC3)cc2F)CC[NH2+]CC1 ZINC000423129806 309387382 /nfs/dbraw/zinc/38/73/82/309387382.db2.gz MIYRXULHMYJCTN-CQSZACIVSA-N 2 0 348.462 3.114 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423257647 309392611 /nfs/dbraw/zinc/39/26/11/309392611.db2.gz KMWXOZSGAKIIEY-WFASDCNBSA-N 2 0 327.394 3.457 10 0 EGAERP Cn1ccc([C@@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423259820 309392734 /nfs/dbraw/zinc/39/27/34/309392734.db2.gz PCHFYDBZRNPUDI-KDOFPFPSSA-N 2 0 332.879 3.142 10 0 EGAERP c1ccc(CCN2CCC([NH2+]Cc3ccc4c(c3)C[NH2+]C4)CC2)cc1 ZINC000423352764 309396548 /nfs/dbraw/zinc/39/65/48/309396548.db2.gz BOOZBWHKBNAOPJ-UHFFFAOYSA-N 2 0 335.495 3.087 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423542905 309405804 /nfs/dbraw/zinc/40/58/04/309405804.db2.gz GXKAFSRLUOGVLO-UGGKCQTMSA-N 3 0 341.543 3.060 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H]1CC[C@H](c2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000437788506 309799697 /nfs/dbraw/zinc/79/96/97/309799697.db2.gz UAMHRBCHNDJSAA-UFYCRDLUSA-N 2 0 345.531 3.005 10 0 EGAERP COc1cc(C[NH2+]CCCC[NH+]2CCOCC2)cc2ccccc21 ZINC000449082984 310035734 /nfs/dbraw/zinc/03/57/34/310035734.db2.gz RMHTYDDLVZSWEU-UHFFFAOYSA-N 2 0 328.456 3.050 10 0 EGAERP CC[N@@H+]1CC[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449088548 310036149 /nfs/dbraw/zinc/03/61/49/310036149.db2.gz HXSFETDHNPGZHZ-UYAOXDASSA-N 2 0 329.532 3.013 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000449130335 310039059 /nfs/dbraw/zinc/03/90/59/310039059.db2.gz YKNLZFHVGNVMKK-GOSISDBHSA-N 2 0 338.495 3.364 10 0 EGAERP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449176591 310042440 /nfs/dbraw/zinc/04/24/40/310042440.db2.gz QJFBNCXZBMCBCZ-QWFCFKBJSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CCOCC2)CC1 ZINC000449179177 310042602 /nfs/dbraw/zinc/04/26/02/310042602.db2.gz ZEEJZSNGNFZKDO-GOSISDBHSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449190112 310043415 /nfs/dbraw/zinc/04/34/15/310043415.db2.gz QIQAHPMDCSHIDI-SJLPKXTDSA-N 2 0 340.552 3.449 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(CO)CCOCC2)CC1 ZINC000449213435 310045035 /nfs/dbraw/zinc/04/50/35/310045035.db2.gz XAXIWCBQXIHGPN-UHFFFAOYSA-N 2 0 340.552 3.044 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCN2CCSCC2)CC1 ZINC000449220947 310045669 /nfs/dbraw/zinc/04/56/69/310045669.db2.gz FJXVASXYFMBMKR-UHFFFAOYSA-N 2 0 341.609 3.304 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000449332431 310054267 /nfs/dbraw/zinc/05/42/67/310054267.db2.gz DGQBBKRWINQICY-LAUBAEHRSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449490173 310066227 /nfs/dbraw/zinc/06/62/27/310066227.db2.gz WHHIDGAIVXCBJG-SFHVURJKSA-N 2 0 348.506 3.438 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000449688078 310080865 /nfs/dbraw/zinc/08/08/65/310080865.db2.gz FIQGGUSKSGRNME-UYAOXDASSA-N 2 0 330.516 3.488 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000507211441 312063461 /nfs/dbraw/zinc/06/34/61/312063461.db2.gz MFDRMMUGIGHQCC-UHFFFAOYSA-N 2 0 338.499 3.395 10 0 EGAERP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N1CCc2ccccc2C1 ZINC000514096585 312224713 /nfs/dbraw/zinc/22/47/13/312224713.db2.gz XBRNKNHNKCHSSI-MBDNFAEBSA-N 2 0 341.543 3.286 10 0 EGAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCCCC[C@@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165457 312268778 /nfs/dbraw/zinc/26/87/78/312268778.db2.gz HVSSCDAFPWUKRX-UFYCRDLUSA-N 2 0 339.483 3.254 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)NCC2CCCCC2)CC1 ZINC000520196853 312495374 /nfs/dbraw/zinc/49/53/74/312495374.db2.gz GSGNULUFWZQHBM-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000529722828 313399195 /nfs/dbraw/zinc/39/91/95/313399195.db2.gz NDGRBGFMXLTWCO-PXNSSMCTSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000535065275 314022510 /nfs/dbraw/zinc/02/25/10/314022510.db2.gz FSZJQRLJILSFOB-CQSZACIVSA-N 2 0 327.875 3.157 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1ccccc1)[C@H]1CCOC1 ZINC000541380015 314455567 /nfs/dbraw/zinc/45/55/67/314455567.db2.gz FCFBPFRJPOHYNX-GHTZIAJQSA-N 2 0 348.450 3.443 10 0 EGAERP c1cn(CCCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000548817892 315051601 /nfs/dbraw/zinc/05/16/01/315051601.db2.gz OUUBRVATTGDOQE-MZADTFQBSA-N 2 0 338.499 3.449 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000552046861 315192810 /nfs/dbraw/zinc/19/28/10/315192810.db2.gz UYGIOLUVNKXNBG-MYGLTJDJSA-N 2 0 341.543 3.013 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000552249715 315209274 /nfs/dbraw/zinc/20/92/74/315209274.db2.gz IJYIYHBMCLPXLZ-GUDVDZBRSA-N 2 0 343.515 3.126 10 0 EGAERP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[C@@H]2C2CCC2)c2ccccc2)CC1 ZINC000558696288 315594116 /nfs/dbraw/zinc/59/41/16/315594116.db2.gz DFUDFBNCYQAMEN-HKBOAZHASA-N 2 0 327.516 3.143 10 0 EGAERP Cc1cc(C[NH2+]CCCC[NH+]2CCN(C)CC2)ccc1C(F)(F)F ZINC000565938827 316391001 /nfs/dbraw/zinc/39/10/01/316391001.db2.gz NEHJXOGAVKSKMJ-UHFFFAOYSA-N 2 0 343.437 3.131 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000568248485 316749058 /nfs/dbraw/zinc/74/90/58/316749058.db2.gz SJJJSBBKWOXBRO-JTNHKYCSSA-N 2 0 325.250 3.132 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(F)F ZINC000571083722 317148741 /nfs/dbraw/zinc/14/87/41/317148741.db2.gz SOVWZZITINMPQG-IXDOHACOSA-N 2 0 338.442 3.178 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]3CN(Cc4ccc5c(c4)C[NH2+]CC5)C[C@H]32)cc1 ZINC000572008413 317279368 /nfs/dbraw/zinc/27/93/68/317279368.db2.gz WLEFUXAGERSTQC-JTHBVZDNSA-N 2 0 347.506 3.039 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(NC(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000172262875 323274578 /nfs/dbraw/zinc/27/45/78/323274578.db2.gz OMYBFSQNKQSMCW-QGZVFWFLSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@H](CCc1ccco1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397519234 324294882 /nfs/dbraw/zinc/29/48/82/324294882.db2.gz USFHKYLENLCDHR-GOSISDBHSA-N 2 0 342.483 3.217 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000105862663 454660783 /nfs/dbraw/zinc/66/07/83/454660783.db2.gz OEOPJRVCOSJLPA-KGLIPLIRSA-N 2 0 326.431 3.050 10 0 EGAERP Cc1nccn1C[C@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000178751491 454972784 /nfs/dbraw/zinc/97/27/84/454972784.db2.gz QFGIWHYMVPQBQT-LJQANCHMSA-N 2 0 340.471 3.418 10 0 EGAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000151954560 455053554 /nfs/dbraw/zinc/05/35/54/455053554.db2.gz BJNJPXKWWMQUCT-VQTJNVASSA-N 2 0 343.559 3.404 10 0 EGAERP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2cccs2)n1 ZINC000179685393 455067095 /nfs/dbraw/zinc/06/70/95/455067095.db2.gz LGNBVUQHYKJTAI-UHFFFAOYSA-N 2 0 344.528 3.456 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)[C@@H](C)C1 ZINC000245440556 455300252 /nfs/dbraw/zinc/30/02/52/455300252.db2.gz UQZJVRILSPNCGC-SXLOBPIMSA-N 2 0 348.531 3.014 10 0 EGAERP CCCn1c(C)nnc1CN[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183690116 455321235 /nfs/dbraw/zinc/32/12/35/455321235.db2.gz GKEAPVZAMKGNEU-AWEZNQCLSA-N 2 0 338.459 3.341 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000181944350 455403344 /nfs/dbraw/zinc/40/33/44/455403344.db2.gz GTSSNAUBNVJBTL-IBGZPJMESA-N 2 0 339.474 3.279 10 0 EGAERP Cc1cc(N2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccncc2)n1 ZINC000246328787 455472315 /nfs/dbraw/zinc/47/23/15/455472315.db2.gz LACGCYKYHFKBRA-PKOBYXMFSA-N 2 0 349.482 3.300 10 0 EGAERP O[C@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246866328 455531413 /nfs/dbraw/zinc/53/14/13/455531413.db2.gz AFHDGNREAYHFAJ-LEWJYISDSA-N 2 0 330.516 3.178 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000247039870 455549123 /nfs/dbraw/zinc/54/91/23/455549123.db2.gz MRCITWQARGGBEU-CHWSQXEVSA-N 2 0 328.403 3.289 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@@H](N3CCC[NH+](C4CCCC4)CC3)C2)cc1 ZINC000271364075 455612329 /nfs/dbraw/zinc/61/23/29/455612329.db2.gz NYHHTYMXSMMSJZ-OAQYLSRUSA-N 2 0 327.516 3.211 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000248119479 455683081 /nfs/dbraw/zinc/68/30/81/455683081.db2.gz NEGMABQUABPCEO-ZQOJQMTGSA-N 2 0 335.561 3.449 10 0 EGAERP C[N@@H+]1CCC[C@H]2CN(Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179564 455695787 /nfs/dbraw/zinc/69/57/87/455695787.db2.gz WEBFWCSMOSKKQR-SUMWQHHRSA-N 2 0 336.863 3.123 10 0 EGAERP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623724083 460691391 /nfs/dbraw/zinc/69/13/91/460691391.db2.gz SLSCIYRPICWQNE-MIALQEHNSA-N 2 0 332.488 3.063 10 0 EGAERP CCc1cccc(CC)c1NC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000285531812 455864736 /nfs/dbraw/zinc/86/47/36/455864736.db2.gz PFUNMKLUONUSQC-DFNIBXOVSA-N 2 0 343.515 3.307 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)[C@@H](C)C1 ZINC000280218187 455919872 /nfs/dbraw/zinc/91/98/72/455919872.db2.gz JMLUJALWJYYSPG-WMLDXEAASA-N 2 0 347.894 3.083 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261878996 455964085 /nfs/dbraw/zinc/96/40/85/455964085.db2.gz YGWNSLIZBIXQGR-UXHICEINSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)c1 ZINC000261946664 455976118 /nfs/dbraw/zinc/97/61/18/455976118.db2.gz NSCDHDSWYSHAHX-XUVXKRRUSA-N 2 0 346.515 3.110 10 0 EGAERP C[C@@]1(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]C1 ZINC000261951911 455977752 /nfs/dbraw/zinc/97/77/52/455977752.db2.gz GBOUFJNMSRBUDJ-BXUZGUMPSA-N 2 0 333.423 3.341 10 0 EGAERP OC[C@H](CC1CCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000281176004 456154753 /nfs/dbraw/zinc/15/47/53/456154753.db2.gz QHICJMDTZYIVAE-XSDIEEQYSA-N 2 0 328.500 3.323 10 0 EGAERP CC1CC[NH+](Cc2ccccc2CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000236631133 456161781 /nfs/dbraw/zinc/16/17/81/456161781.db2.gz YWCBFAXPTUIHKK-FXAWDEMLSA-N 2 0 343.515 3.052 10 0 EGAERP Nc1ncnc(NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)c1Cl ZINC000302884512 456426697 /nfs/dbraw/zinc/42/66/97/456426697.db2.gz KIMSEEXXIMMXLR-AWEZNQCLSA-N 2 0 331.851 3.179 10 0 EGAERP CSC1(C[NH2+]Cc2ncc(C(F)(F)F)s2)CC[NH+](C)CC1 ZINC000353220265 456568723 /nfs/dbraw/zinc/56/87/23/456568723.db2.gz CQYBVOCFVYDCTJ-UHFFFAOYSA-N 2 0 339.452 3.079 10 0 EGAERP COc1ccc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494669 456630427 /nfs/dbraw/zinc/63/04/27/456630427.db2.gz VPVHYTFVLMLSKZ-DZGCQCFKSA-N 2 0 338.879 3.321 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321279760 456636609 /nfs/dbraw/zinc/63/66/09/456636609.db2.gz IHDHPYHPPOADNJ-YOEHRIQHSA-N 2 0 335.879 3.051 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000338002734 456650376 /nfs/dbraw/zinc/65/03/76/456650376.db2.gz ZDHOQTRJOFDBNC-SFTDATJTSA-N 2 0 328.500 3.312 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000353494453 456714297 /nfs/dbraw/zinc/71/42/97/456714297.db2.gz CTEXHFGDJFMKMP-BRWVUGGUSA-N 2 0 348.487 3.065 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000353499418 456717450 /nfs/dbraw/zinc/71/74/50/456717450.db2.gz UESGPWHOCDCHEO-MRXNPFEDSA-N 2 0 327.476 3.040 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2ccc[nH]2)CC1 ZINC000354044163 457030183 /nfs/dbraw/zinc/03/01/83/457030183.db2.gz GKTJNPWKVPFQEQ-UHFFFAOYSA-N 2 0 326.488 3.179 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000347226102 457299013 /nfs/dbraw/zinc/29/90/13/457299013.db2.gz MDAZXNJQSTWSTN-YOEHRIQHSA-N 2 0 339.911 3.083 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cnn(Cc3ccccc3)c2)CC1 ZINC000339841913 457305945 /nfs/dbraw/zinc/30/59/45/457305945.db2.gz LGUIUYZKCSDHRV-UHFFFAOYSA-N 2 0 340.515 3.485 10 0 EGAERP C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404368097 457542338 /nfs/dbraw/zinc/54/23/38/457542338.db2.gz HNNVRHDLMOFVKO-CZZMKVDGSA-N 2 0 343.515 3.014 10 0 EGAERP Cc1ccccc1[C@@]1(F)CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000374339410 457591170 /nfs/dbraw/zinc/59/11/70/457591170.db2.gz XOVCSQCAVCPKHM-OAQYLSRUSA-N 2 0 347.522 3.282 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433057886 457655629 /nfs/dbraw/zinc/65/56/29/457655629.db2.gz NKCWTMQFWDNCCI-ICSRJNTNSA-N 2 0 342.527 3.429 10 0 EGAERP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374712515 457692436 /nfs/dbraw/zinc/69/24/36/457692436.db2.gz CZICHOIEDYAMOU-OPYAIIAOSA-N 2 0 347.522 3.105 10 0 EGAERP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CS1 ZINC000364862671 457708177 /nfs/dbraw/zinc/70/81/77/457708177.db2.gz RIKKQWZITKIRMJ-MSOLQXFVSA-N 2 0 339.593 3.056 10 0 EGAERP Cc1cn2cc(NC(=O)NCC[N@@H+](C)C3CCCCC3)ccc2n1 ZINC000443573228 457781601 /nfs/dbraw/zinc/78/16/01/457781601.db2.gz VPZAUZIEUBUFAL-UHFFFAOYSA-N 2 0 329.448 3.029 10 0 EGAERP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2c(s1)CCC2 ZINC000358231692 457874734 /nfs/dbraw/zinc/87/47/34/457874734.db2.gz AELXSTIQAPRSGX-CQSZACIVSA-N 2 0 345.512 3.423 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411413878 457880474 /nfs/dbraw/zinc/88/04/74/457880474.db2.gz LBCZFPQEBUCDEQ-GOSISDBHSA-N 2 0 343.515 3.277 10 0 EGAERP CC(CC[NH+](C(C)C)[C@@H]1CCOC1)CC[N@H+](C(C)C)[C@@H]1CCOC1 ZINC000411747882 457969404 /nfs/dbraw/zinc/96/94/04/457969404.db2.gz QRYMONWQLGKXSM-WOJBJXKFSA-N 2 0 340.552 3.401 10 0 EGAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000429535087 458341670 /nfs/dbraw/zinc/34/16/70/458341670.db2.gz HAMVNQHASYZHBQ-HZPDHXFCSA-N 2 0 344.421 3.025 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H](C[NH3+])C2CCCC2)CC1 ZINC000423495670 458443286 /nfs/dbraw/zinc/44/32/86/458443286.db2.gz CKHKMIZAKXNOLW-DYESRHJHSA-N 2 0 329.532 3.189 10 0 EGAERP CC(C)[C@@H](CCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519444 458450517 /nfs/dbraw/zinc/45/05/17/458450517.db2.gz PTFFJCFRRVKTBB-LZBANZJXSA-N 2 0 343.559 3.450 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[C@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC000423557514 458457047 /nfs/dbraw/zinc/45/70/47/458457047.db2.gz ZWPMTHGSNVUKSS-PMHZBBCSSA-N 3 0 339.527 3.160 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423563212 458458320 /nfs/dbraw/zinc/45/83/20/458458320.db2.gz RDPZOFIWBHGHKF-AWEZNQCLSA-N 2 0 327.241 3.307 10 0 EGAERP CCCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247960 458730409 /nfs/dbraw/zinc/73/04/09/458730409.db2.gz FJPXBEHRHMUGJK-FQEVSTJZSA-N 2 0 332.488 3.066 10 0 EGAERP CC1=CCN(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158594 458846718 /nfs/dbraw/zinc/84/67/18/458846718.db2.gz QHBRFIOOOXUVID-CTNGQTDRSA-N 2 0 327.516 3.139 10 0 EGAERP CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475024675 458912422 /nfs/dbraw/zinc/91/24/22/458912422.db2.gz TYBFHQBBRYQKGT-MOPGFXCFSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000576979501 458957797 /nfs/dbraw/zinc/95/77/97/458957797.db2.gz KABGWZBNASTKHP-GOSISDBHSA-N 2 0 348.531 3.261 10 0 EGAERP CN1CC[C@@H](Nc2cc(NC3CC3)ncn2)[C@H]1c1ccc(F)c(F)c1 ZINC000556840003 459019072 /nfs/dbraw/zinc/01/90/72/459019072.db2.gz KDRGVMRFQYFIFG-CRAIPNDOSA-N 2 0 345.397 3.186 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000521322572 459140835 /nfs/dbraw/zinc/14/08/35/459140835.db2.gz XZULLXCHRAYHTF-AZUAARDMSA-N 2 0 333.564 3.328 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000480146127 459185435 /nfs/dbraw/zinc/18/54/35/459185435.db2.gz VWZPZRLPZWRYLC-QUCCMNQESA-N 2 0 329.532 3.361 10 0 EGAERP CC1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000480615845 459209503 /nfs/dbraw/zinc/20/95/03/459209503.db2.gz UANUXUCLEMEBHT-FPOVZHCZSA-N 2 0 329.532 3.219 10 0 EGAERP C[C@H](CSCCF)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000595043182 459227139 /nfs/dbraw/zinc/22/71/39/459227139.db2.gz IPZBJASBDUJCHR-OAHLLOKOSA-N 2 0 340.508 3.340 10 0 EGAERP COc1cc2c(cc1C[NH2+]C1CCC(C[NH+](C)C)CC1)O[C@@H](C)C2 ZINC000533392266 459229474 /nfs/dbraw/zinc/22/94/74/459229474.db2.gz IUBNVRJIQAIXPW-SYJJWHGVSA-N 2 0 332.488 3.229 10 0 EGAERP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000481048326 459230064 /nfs/dbraw/zinc/23/00/64/459230064.db2.gz LPCSAANOQABQKD-IOASZLSFSA-N 2 0 325.294 3.310 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@@H]1CC2(CCCCC2)Oc2ccccc21 ZINC000581983221 459285806 /nfs/dbraw/zinc/28/58/06/459285806.db2.gz OAHBSAMXQXESKG-GOSISDBHSA-N 2 0 332.488 3.381 10 0 EGAERP c1cn(CCCC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)cn1 ZINC000582062053 459301150 /nfs/dbraw/zinc/30/11/50/459301150.db2.gz NKBKHZHDQGSSJS-HXUWFJFHSA-N 2 0 338.499 3.450 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000560514269 459363507 /nfs/dbraw/zinc/36/35/07/459363507.db2.gz VLGDLKQTFDMQPA-YPAWHYETSA-N 2 0 341.543 3.422 10 0 EGAERP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC000582955595 459457100 /nfs/dbraw/zinc/45/71/00/459457100.db2.gz YKDWSZJTDPAZJK-SFHVURJKSA-N 2 0 346.862 3.008 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000569719216 459498662 /nfs/dbraw/zinc/49/86/62/459498662.db2.gz PEJNLDIBIYJBRQ-MEDHRJKHSA-N 2 0 329.488 3.157 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc(C)cc3)no2)[C@H](C)C1 ZINC000562302903 459534401 /nfs/dbraw/zinc/53/44/01/459534401.db2.gz PJHXYRYZEYHRMV-NVXWUHKLSA-N 2 0 328.460 3.207 10 0 EGAERP OCCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCc2ccccc21 ZINC000584177650 459674530 /nfs/dbraw/zinc/67/45/30/459674530.db2.gz HWSAJXCGJTYJKU-QFIPXVFZSA-N 2 0 336.479 3.204 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(I)cc1 ZINC000596655900 459717229 /nfs/dbraw/zinc/71/72/29/459717229.db2.gz ZIOUTIIYYSWBQQ-SMDDNHRTSA-N 2 0 346.256 3.315 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[N@@H+]1C1CC1 ZINC000563120617 459718725 /nfs/dbraw/zinc/71/87/25/459718725.db2.gz AJENZUFOUJCFGL-RLLQIKCJSA-N 2 0 339.527 3.398 10 0 EGAERP COc1ccc(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000527988293 459789107 /nfs/dbraw/zinc/78/91/07/459789107.db2.gz CVSQUFQPIGUELV-YLJYHZDGSA-N 2 0 339.483 3.133 10 0 EGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011722 459795797 /nfs/dbraw/zinc/79/57/97/459795797.db2.gz IXJFMBOBIQRGFF-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000596968668 459806697 /nfs/dbraw/zinc/80/66/97/459806697.db2.gz AUXZYAZQSCOUPH-LJQANCHMSA-N 2 0 349.438 3.289 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000597199455 459873557 /nfs/dbraw/zinc/87/35/57/459873557.db2.gz CZFGIIGURUCYBD-FHWLQOOXSA-N 2 0 342.483 3.110 10 0 EGAERP [NH3+]CC12CCC(CC1)CN2Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000576412772 460137581 /nfs/dbraw/zinc/13/75/81/460137581.db2.gz QHIYVOANBYUKLW-UHFFFAOYSA-N 2 0 341.499 3.016 10 0 EGAERP Cc1cccc([C@@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)c1 ZINC000625984058 460326561 /nfs/dbraw/zinc/32/65/61/460326561.db2.gz JSLXDGBZCSXZDA-NRFANRHFSA-N 2 0 345.531 3.271 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCC2)o1 ZINC000628546237 460455694 /nfs/dbraw/zinc/45/56/94/460455694.db2.gz QONUZFSOPPSZBM-KRWDZBQOSA-N 2 0 347.503 3.258 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1(C)C ZINC000623379287 460518715 /nfs/dbraw/zinc/51/87/15/460518715.db2.gz HNDIDIRSNCOVQY-LSDHHAIUSA-N 2 0 337.458 3.254 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000623879268 460758387 /nfs/dbraw/zinc/75/83/87/460758387.db2.gz BSRZHWALMQDADU-UWJYYQICSA-N 2 0 346.515 3.454 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623901941 460768321 /nfs/dbraw/zinc/76/83/21/460768321.db2.gz XQWRFUIOTCQJCF-MRXNPFEDSA-N 2 0 337.471 3.139 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](c1ccc(OC)cc1)c1ccccc1Cl ZINC000629529807 460798047 /nfs/dbraw/zinc/79/80/47/460798047.db2.gz NFQPFSKLSQCMEW-LJQANCHMSA-N 2 0 348.874 3.264 10 0 EGAERP CC[C@H]([NH2+]CCOCC[NH2+]C)c1ccc(Br)cc1Cl ZINC000629530765 460798234 /nfs/dbraw/zinc/79/82/34/460798234.db2.gz QLVWESJNHBELPF-AWEZNQCLSA-N 2 0 349.700 3.379 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000629528782 460798270 /nfs/dbraw/zinc/79/82/70/460798270.db2.gz JBUHFJGPAAOKCD-CQSZACIVSA-N 2 0 333.501 3.314 10 0 EGAERP Fc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)co1 ZINC000629533668 460799809 /nfs/dbraw/zinc/79/98/09/460799809.db2.gz OBGVMANIOGDZEK-GOSISDBHSA-N 2 0 329.419 3.445 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629541497 460800651 /nfs/dbraw/zinc/80/06/51/460800651.db2.gz POFODNZKROXOJV-IBGZPJMESA-N 2 0 334.410 3.204 10 0 EGAERP CCSc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000629673416 460861052 /nfs/dbraw/zinc/86/10/52/460861052.db2.gz LQRLVJVLJBUPMU-SFHVURJKSA-N 2 0 334.529 3.389 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)cc1OC1CC1 ZINC000628147587 461017612 /nfs/dbraw/zinc/01/76/12/461017612.db2.gz SJJSITQLBYVNSZ-OAHLLOKOSA-N 2 0 327.428 3.339 10 0 EGAERP Fc1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c(F)c1 ZINC000662252544 461145519 /nfs/dbraw/zinc/14/55/19/461145519.db2.gz QBNQLWCAXRPZEO-QGZVFWFLSA-N 2 0 336.426 3.230 10 0 EGAERP Clc1ccccc1[C@@H]1C[NH2+]CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662272785 461160381 /nfs/dbraw/zinc/16/03/81/461160381.db2.gz PUSVZUTXSWUQRD-FQEVSTJZSA-N 2 0 341.886 3.132 10 0 EGAERP Fc1cccc(C[NH+]2CCC([C@@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000662272881 461160982 /nfs/dbraw/zinc/16/09/82/461160982.db2.gz JRAOMYIWFZJCCD-CYBMUJFWSA-N 2 0 328.378 3.249 10 0 EGAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000662279530 461162715 /nfs/dbraw/zinc/16/27/15/461162715.db2.gz AAHZMUCANQRAHX-MSOLQXFVSA-N 2 0 338.492 3.136 10 0 EGAERP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662283814 461166277 /nfs/dbraw/zinc/16/62/77/461166277.db2.gz VOTIXGZRFOLPGX-PXNSSMCTSA-N 2 0 340.442 3.220 10 0 EGAERP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662299140 461178189 /nfs/dbraw/zinc/17/81/89/461178189.db2.gz ZYHLCTJJQSLRSJ-QGZVFWFLSA-N 2 0 342.462 3.223 10 0 EGAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000646697066 461374937 /nfs/dbraw/zinc/37/49/37/461374937.db2.gz SSXRTFGVIZKFNF-GUDVDZBRSA-N 2 0 331.504 3.224 10 0 EGAERP CCN(C(=O)Nc1cccc(-c2nccn2C)c1)[C@@H]1CC[N@H+](CC)C1 ZINC000665975312 461384732 /nfs/dbraw/zinc/38/47/32/461384732.db2.gz LTFPQLHMANEMOY-QGZVFWFLSA-N 2 0 341.459 3.035 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CS1 ZINC000655751405 461418485 /nfs/dbraw/zinc/41/84/85/461418485.db2.gz MEOAVMXXKPEFBR-AYOQOUSVSA-N 2 0 334.529 3.017 10 0 EGAERP Cn1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(-c2cc3ccccc3o2)n1 ZINC000655827287 461482102 /nfs/dbraw/zinc/48/21/02/461482102.db2.gz QJKASKLGRNVHLK-KDYLLFBJSA-N 2 0 338.455 3.263 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659910842 461494080 /nfs/dbraw/zinc/49/40/80/461494080.db2.gz UVTYMVKWCQKXEG-NHCUHLMSSA-N 2 0 341.543 3.208 10 0 EGAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631043423 461495471 /nfs/dbraw/zinc/49/54/71/461495471.db2.gz VQRCRGNZCHTXMS-IRXDYDNUSA-N 2 0 332.536 3.147 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2Sc3ccccc3NC2=O)[C@H](C)C1 ZINC000660080827 461573530 /nfs/dbraw/zinc/57/35/30/461573530.db2.gz AZCNGBYYJQGBDE-UWWQBHOKSA-N 2 0 347.528 3.152 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCCO2)cc1 ZINC000656402401 461733331 /nfs/dbraw/zinc/73/33/31/461733331.db2.gz FYDOOAHZTSFSQQ-CUUWFGFTSA-N 2 0 340.511 3.398 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCOC2)cc1 ZINC000656402297 461734466 /nfs/dbraw/zinc/73/44/66/461734466.db2.gz MURXGHMGVBCERT-YHINDDMVSA-N 2 0 340.511 3.255 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCO2)cc1 ZINC000656405397 461736671 /nfs/dbraw/zinc/73/66/71/461736671.db2.gz PVVKKVHAZDSPHX-AFDCHOCNSA-N 2 0 326.484 3.008 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535489 461757134 /nfs/dbraw/zinc/75/71/34/461757134.db2.gz FFJNNFXSKHGJOW-KGLIPLIRSA-N 2 0 339.252 3.307 10 0 EGAERP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647977547 461919348 /nfs/dbraw/zinc/91/93/48/461919348.db2.gz DDTLTYYYMRVUNX-IRXDYDNUSA-N 2 0 342.462 3.223 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000650744809 461929204 /nfs/dbraw/zinc/92/92/04/461929204.db2.gz WDOZUZQBLOTUNW-GFCCVEGCSA-N 2 0 333.867 3.009 10 0 EGAERP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc2c(c1)OCCO2 ZINC000650758732 461939056 /nfs/dbraw/zinc/93/90/56/461939056.db2.gz WPVIAQWXOHWIKW-SFHVURJKSA-N 2 0 326.440 3.418 10 0 EGAERP c1cc(C[NH2+]C[C@H](c2ccccc2)N2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657287296 462018102 /nfs/dbraw/zinc/01/81/02/462018102.db2.gz XPTROKDWHYYJAK-OAQYLSRUSA-N 2 0 347.466 3.194 10 0 EGAERP CC[NH+](CC)[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)CC(C)C ZINC000657303442 462029643 /nfs/dbraw/zinc/02/96/43/462029643.db2.gz OVGCBAFZBAJZBE-LJQANCHMSA-N 2 0 329.492 3.113 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000657395306 462095409 /nfs/dbraw/zinc/09/54/09/462095409.db2.gz UDNMZEUANASFLJ-MJGOQNOKSA-N 2 0 347.466 3.020 10 0 EGAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000651198353 462131849 /nfs/dbraw/zinc/13/18/49/462131849.db2.gz BXDLNKCDRUIKPL-DOIPELPJSA-N 2 0 327.516 3.113 10 0 EGAERP CC[C@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)OCCc2ccccc21 ZINC000657468178 462142755 /nfs/dbraw/zinc/14/27/55/462142755.db2.gz KZCSYDQXXYORTN-OAQYLSRUSA-N 2 0 348.450 3.235 10 0 EGAERP COc1cccc(C2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000657469184 462143827 /nfs/dbraw/zinc/14/38/27/462143827.db2.gz VWCPJBYDYMFROK-UHFFFAOYSA-N 2 0 334.423 3.097 10 0 EGAERP COc1cccc([C@H]2C[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)C2)c1 ZINC000657486377 462152262 /nfs/dbraw/zinc/15/22/62/462152262.db2.gz YJJVZDVRHOVWOF-QAQDUYKDSA-N 2 0 334.423 3.312 10 0 EGAERP COC[C@H](C)Oc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000657488461 462153484 /nfs/dbraw/zinc/15/34/84/462153484.db2.gz PIDUJFHMIXPGQV-HNNXBMFYSA-N 2 0 325.412 3.038 10 0 EGAERP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000657593619 462195034 /nfs/dbraw/zinc/19/50/34/462195034.db2.gz AVGDSGIHJVNSMN-MOXGXCLJSA-N 2 0 340.467 3.259 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4cccnc43)cc2)C1 ZINC000657596834 462196610 /nfs/dbraw/zinc/19/66/10/462196610.db2.gz ZMTBOUXIKZLQAG-OAQYLSRUSA-N 2 0 347.462 3.091 10 0 EGAERP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000657666844 462222667 /nfs/dbraw/zinc/22/26/67/462222667.db2.gz UETTUFKOUNQJHP-XLIONFOSSA-N 2 0 332.488 3.208 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651675003 462299087 /nfs/dbraw/zinc/29/90/87/462299087.db2.gz HKBISSPMJQPNRT-INIZCTEOSA-N 2 0 339.886 3.082 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+]C2CC(CF)(CF)C2)cc1 ZINC000657866625 462301658 /nfs/dbraw/zinc/30/16/58/462301658.db2.gz DVHCMBVRUPNGQO-UHFFFAOYSA-N 2 0 326.431 3.195 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H](COC)CC2CCOCC2)c1 ZINC000657872963 462304860 /nfs/dbraw/zinc/30/48/60/462304860.db2.gz VAANFQUKJUZTEB-HXUWFJFHSA-N 2 0 334.504 3.060 10 0 EGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657891698 462309570 /nfs/dbraw/zinc/30/95/70/462309570.db2.gz ILTUFCALBVLJTM-HNNXBMFYSA-N 2 0 331.495 3.206 10 0 EGAERP CC[C@]1(C)CCC[C@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651728169 462317532 /nfs/dbraw/zinc/31/75/32/462317532.db2.gz NFCBXWLHXRREJO-YLJYHZDGSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C(C)(C)C(F)F ZINC000657970189 462331670 /nfs/dbraw/zinc/33/16/70/462331670.db2.gz YZRMRCLBLFBSBL-RHSMWYFYSA-N 2 0 340.458 3.413 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667970549 462354178 /nfs/dbraw/zinc/35/41/78/462354178.db2.gz MYYLCQFACAQVQZ-BIRZXAFVSA-N 2 0 340.511 3.444 10 0 EGAERP OC[C@@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCc2ccccc21 ZINC000651884248 462368331 /nfs/dbraw/zinc/36/83/31/462368331.db2.gz CBDIKXIYODNVQC-QFIPXVFZSA-N 2 0 342.527 3.250 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nsc2ccccc12 ZINC000665275214 462380128 /nfs/dbraw/zinc/38/01/28/462380128.db2.gz FKHRNKJQAXZHHP-KSSFIOAISA-N 2 0 325.481 3.387 10 0 EGAERP CC[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277050 462380735 /nfs/dbraw/zinc/38/07/35/462380735.db2.gz RTDUMTRDGRLIDX-ACRUOGEOSA-N 2 0 341.543 3.409 10 0 EGAERP CCC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)C1CCCCC1 ZINC000665285073 462384892 /nfs/dbraw/zinc/38/48/92/462384892.db2.gz BVIIGJVGAXGCPB-LJQANCHMSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cccc(C3CC3)c2)CC1 ZINC000665289321 462387241 /nfs/dbraw/zinc/38/72/41/462387241.db2.gz LJYJOOLSTYLDCM-MRXNPFEDSA-N 2 0 343.515 3.205 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(OC2CCCC2)CC1 ZINC000658109835 462390215 /nfs/dbraw/zinc/39/02/15/462390215.db2.gz ZEVQZJXEQNTFCN-ZJRDLVKKSA-N 2 0 339.568 3.118 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cn1 ZINC000658138863 462402186 /nfs/dbraw/zinc/40/21/86/462402186.db2.gz OQDGDCQCJSSKSH-KSSFIOAISA-N 2 0 345.874 3.152 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143129 462405434 /nfs/dbraw/zinc/40/54/34/462405434.db2.gz WUVKJXZGGMUWPT-KSSFIOAISA-N 2 0 346.421 3.382 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCCOCC3)C3(CCC3)C2)cc1 ZINC000658319513 462475427 /nfs/dbraw/zinc/47/54/27/462475427.db2.gz DQPXJZBNCAPXPH-WOJBJXKFSA-N 2 0 328.500 3.447 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339076 462480945 /nfs/dbraw/zinc/48/09/45/462480945.db2.gz PUOBONVYCNWFPJ-HKUYNNGSSA-N 2 0 349.563 3.445 10 0 EGAERP c1ccc(COC2CC([NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000658353573 462487725 /nfs/dbraw/zinc/48/77/25/462487725.db2.gz PHKRIYVUNYFVOB-UHFFFAOYSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274821 462495483 /nfs/dbraw/zinc/49/54/83/462495483.db2.gz WUSLMVGGZSNBFJ-APWZRJJASA-N 2 0 326.488 3.024 10 0 EGAERP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)cc2)n1 ZINC000649415315 462502903 /nfs/dbraw/zinc/50/29/03/462502903.db2.gz UPMCDRGFFQUXIQ-TZIWHRDSSA-N 2 0 338.499 3.453 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)C1(C)CC[NH+](Cc2ccccc2)CC1 ZINC000182129410 528262479 /nfs/dbraw/zinc/26/24/79/528262479.db2.gz ZTYWXNUNRHGKKB-GOSISDBHSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000182012876 547075485 /nfs/dbraw/zinc/07/54/85/547075485.db2.gz YYBYQIMJBYSEKQ-PXNSSMCTSA-N 2 0 339.483 3.065 10 0 EGAERP CCCn1nccc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000310941177 547461707 /nfs/dbraw/zinc/46/17/07/547461707.db2.gz JSOHOCAUFZFXOT-HMXCVIKNSA-N 2 0 338.499 3.293 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964244 547862297 /nfs/dbraw/zinc/86/22/97/547862297.db2.gz UMTYNSKETNCWPK-ABAIWWIYSA-N 2 0 334.261 3.085 10 0 EGAERP CC(C)N(CC[NH+]1CCCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC000672491508 548440133 /nfs/dbraw/zinc/44/01/33/548440133.db2.gz ALQPSEJNGGQVQF-UHFFFAOYSA-N 2 0 345.531 3.475 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000673042407 548520072 /nfs/dbraw/zinc/52/00/72/548520072.db2.gz SEQRJMFRRHQNIA-GOSISDBHSA-N 2 0 347.503 3.220 10 0 EGAERP COCc1ccc(C[NH2+][C@@H](Cc2nccn2C)c2ccccc2)o1 ZINC000675761921 548975577 /nfs/dbraw/zinc/97/55/77/548975577.db2.gz JSSCPEYNIQYGIT-SFHVURJKSA-N 2 0 325.412 3.233 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000675818684 548988470 /nfs/dbraw/zinc/98/84/70/548988470.db2.gz HEAYNFZMBYMQRF-CQSZACIVSA-N 2 0 333.476 3.036 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000684370229 550320795 /nfs/dbraw/zinc/32/07/95/550320795.db2.gz QENHKMBZIGBPKL-RBUKOAKNSA-N 2 0 334.504 3.454 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000067222690 1292155032 /nfs/dbraw/zinc/15/50/32/1292155032.db2.gz GNPZUPPDYNNVJJ-LJQANCHMSA-N 2 0 339.483 3.482 10 0 EGAERP CN(C(=O)OC(C)(C)C)C1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000227800552 1296149101 /nfs/dbraw/zinc/14/91/01/1296149101.db2.gz ALGCCYUFQZAEFK-UIDBIOKJSA-N 2 0 325.497 3.024 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638651 1297097517 /nfs/dbraw/zinc/09/75/17/1297097517.db2.gz GGEIWYWIWPGVCX-QZTJIDSGSA-N 2 0 347.503 3.326 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000873223351 1297363277 /nfs/dbraw/zinc/36/32/77/1297363277.db2.gz NMTBVVJKFUSCDM-PYCOLDLYSA-N 2 0 347.300 3.065 10 0 EGAERP CC[NH+]1CCC([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000378881339 1297524404 /nfs/dbraw/zinc/52/44/04/1297524404.db2.gz GWZTVBSUPRXQFY-GOSISDBHSA-N 2 0 347.503 3.326 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]C[C@@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000378902594 1297528114 /nfs/dbraw/zinc/52/81/14/1297528114.db2.gz ZEFFZKUBFFVRGP-KRWDZBQOSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@H]1C[C@@H](NCCC[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000379760292 1297541358 /nfs/dbraw/zinc/54/13/58/1297541358.db2.gz BAUYXZQKIVJEDH-PZJWPPBQSA-N 2 0 329.532 3.361 10 0 EGAERP CN(C[C@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000382755490 1297564715 /nfs/dbraw/zinc/56/47/15/1297564715.db2.gz MXUUGEKYHUVWQZ-OFNKIYASSA-N 2 0 349.522 3.155 10 0 EGAERP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000386487412 1297590514 /nfs/dbraw/zinc/59/05/14/1297590514.db2.gz XAOWFYKEOHQOSZ-VAMGGRTRSA-N 2 0 344.499 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000389808944 1297614080 /nfs/dbraw/zinc/61/40/80/1297614080.db2.gz MBHWFDSZUNNDMG-JKSUJKDBSA-N 2 0 339.524 3.096 10 0 EGAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397500676 1297701606 /nfs/dbraw/zinc/70/16/06/1297701606.db2.gz XFWUJNBXHOLVNB-SEJPIABJSA-N 3 0 327.516 3.113 10 0 EGAERP CCN(CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCC(F)(F)F ZINC000925649709 1325246927 /nfs/dbraw/zinc/24/69/27/1325246927.db2.gz IBYJKLPJZAPTDT-HZPDHXFCSA-N 2 0 335.458 3.019 10 0 EGAERP C[C@@](O)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000886532215 1303489134 /nfs/dbraw/zinc/48/91/34/1303489134.db2.gz GDTSHWCFYIBKTP-YOUFYPILSA-N 2 0 340.467 3.130 10 0 EGAERP CC[C@H](C[C@H](C)CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886534451 1303490373 /nfs/dbraw/zinc/49/03/73/1303490373.db2.gz IYXWOSNHLLLMEA-RQUKQETFSA-N 2 0 330.516 3.426 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+]Cc3cn4ccnc4s3)CC2)c1 ZINC000892752213 1305539000 /nfs/dbraw/zinc/53/90/00/1305539000.db2.gz CFTKKTVOEPFAFW-UHFFFAOYSA-N 2 0 346.525 3.459 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCC[C@@H]3CCO3)cc2)C[C@H](C)O1 ZINC000895739610 1309498985 /nfs/dbraw/zinc/49/89/85/1309498985.db2.gz DHHCOOGSKWVFND-LVCYWYKZSA-N 2 0 346.515 3.297 10 0 EGAERP c1ccc2c(c1)CCO[C@H]2CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000897235548 1310235878 /nfs/dbraw/zinc/23/58/78/1310235878.db2.gz ZCHOJPTULJAORZ-NRFANRHFSA-N 2 0 337.467 3.344 10 0 EGAERP Cc1nccn1CC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029343 1328664829 /nfs/dbraw/zinc/66/48/29/1328664829.db2.gz VZQUZKSBBLOMQG-GOSISDBHSA-N 2 0 326.444 3.007 10 0 EGAERP C[N@@H+]1CC[C@H](NCc2ccc(N3CCCCC3=O)cc2)CC1(C)C ZINC000858105672 1328683838 /nfs/dbraw/zinc/68/38/38/1328683838.db2.gz MAOYMIZJDISPJK-KRWDZBQOSA-N 2 0 329.488 3.166 10 0 EGAERP C[N@@H+](CCc1ccns1)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000930169916 1328803144 /nfs/dbraw/zinc/80/31/44/1328803144.db2.gz NGHOQRWFZFCTKU-UHFFFAOYSA-N 2 0 330.501 3.319 10 0 EGAERP CSCc1ccc(C[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3O)CC2)cc1 ZINC000921858264 1322413544 /nfs/dbraw/zinc/41/35/44/1322413544.db2.gz CJWPIMFTGRJMIZ-WOJBJXKFSA-N 2 0 348.556 3.407 10 0 EGAERP CCO[C@@H](CN[C@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754651 1322611016 /nfs/dbraw/zinc/61/10/16/1322611016.db2.gz QXURUMMXNKPUIO-MNOVXSKESA-N 2 0 335.311 3.128 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1C[C@H]2OC(C)(C)O[C@H]2C1 ZINC000922875161 1322638236 /nfs/dbraw/zinc/63/82/36/1322638236.db2.gz NWDNSMMCFZBHSN-LDLYASANSA-N 2 0 346.515 3.417 10 0 EGAERP CN1CC[C@@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000923378189 1322742168 /nfs/dbraw/zinc/74/21/68/1322742168.db2.gz IYCKPZZUQOAZBT-FKYGBLCMSA-N 2 0 349.469 3.220 10 0 EGAERP COC(=O)[C@H](C)[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000923376246 1322742255 /nfs/dbraw/zinc/74/22/55/1322742255.db2.gz JHQDNBVKIQMDQW-XEHBXRSQSA-N 2 0 330.472 3.047 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376101 1322742308 /nfs/dbraw/zinc/74/23/08/1322742308.db2.gz HVOPOSKTDBULLJ-UWVGGRQHSA-N 2 0 333.234 3.162 10 0 EGAERP COC(=O)[C@H](C)[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000923376143 1322742471 /nfs/dbraw/zinc/74/24/71/1322742471.db2.gz JHQDNBVKIQMDQW-DBKFYXDTSA-N 2 0 330.472 3.047 10 0 EGAERP C[C@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1C[NH3+] ZINC000923500883 1322763931 /nfs/dbraw/zinc/76/39/31/1322763931.db2.gz PRFJUKKZWVZUOC-FUHWJXTLSA-N 2 0 334.467 3.418 10 0 EGAERP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923507237 1322765698 /nfs/dbraw/zinc/76/56/98/1322765698.db2.gz JHZDIHFGFVZWKR-GRYCIOLGSA-N 2 0 344.286 3.237 10 0 EGAERP C[C@]1(Cc2cccs2)CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000923530992 1322770301 /nfs/dbraw/zinc/77/03/01/1322770301.db2.gz KPFLHHSKMWZGTE-SLFFLAALSA-N 2 0 344.524 3.076 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3cc(F)c(Br)cc3C2)C1 ZINC000923550948 1322775752 /nfs/dbraw/zinc/77/57/52/1322775752.db2.gz HLYJZOGMCKIRKO-GXFFZTMASA-N 2 0 327.241 3.074 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000924673367 1323105349 /nfs/dbraw/zinc/10/53/49/1323105349.db2.gz XCDZSVQEBZJYMV-ZWKOTPCHSA-N 2 0 349.588 3.345 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000924671574 1323105910 /nfs/dbraw/zinc/10/59/10/1323105910.db2.gz BAWSPQPRAULNCR-IBGZPJMESA-N 2 0 332.488 3.160 10 0 EGAERP CN1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000924746819 1323144144 /nfs/dbraw/zinc/14/41/44/1323144144.db2.gz HQBBWLOAWFJWQN-UDEWTMQYSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)C2)CO1 ZINC000924938313 1323221554 /nfs/dbraw/zinc/22/15/54/1323221554.db2.gz JRFPQYXZWOLJFT-IDGBJLRDSA-N 2 0 328.500 3.098 10 0 EGAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000924940666 1323222741 /nfs/dbraw/zinc/22/27/41/1323222741.db2.gz OAGBKQUILONLRR-UXHICEINSA-N 2 0 334.504 3.168 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924956149 1323226492 /nfs/dbraw/zinc/22/64/92/1323226492.db2.gz UBSMHHDFZOEYFW-QRWLVFNGSA-N 2 0 349.494 3.103 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000925052941 1323258297 /nfs/dbraw/zinc/25/82/97/1323258297.db2.gz WGPIITFTOKSVFP-IBGZPJMESA-N 2 0 332.488 3.304 10 0 EGAERP CC[N@H+](CCOC1CCSCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000931272061 1329083682 /nfs/dbraw/zinc/08/36/82/1329083682.db2.gz PYNVRRMILXCRHR-UHFFFAOYSA-N 2 0 336.545 3.482 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCc3c2nccc3Cl)C[C@H](C)O1 ZINC000925438459 1325149828 /nfs/dbraw/zinc/14/98/28/1325149828.db2.gz AXVBKEQQZVZBIR-JKIFEVAISA-N 2 0 337.895 3.201 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439575 1325150051 /nfs/dbraw/zinc/15/00/51/1325150051.db2.gz MTXMWYBEERQBHU-KZNAEPCWSA-N 2 0 348.535 3.223 10 0 EGAERP COc1ccc([C@@H](CN[C@@H]2CC[NH2+]C23CCCC3)[NH+]2CCCC2)cc1 ZINC000925509315 1325183536 /nfs/dbraw/zinc/18/35/36/1325183536.db2.gz LPBRAEARUINMEE-WOJBJXKFSA-N 2 0 343.515 3.096 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512932 1325185749 /nfs/dbraw/zinc/18/57/49/1325185749.db2.gz CXXWNHIEFJJFPX-BYCMXARLSA-N 2 0 339.277 3.076 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C12CCC2 ZINC000925533075 1325194989 /nfs/dbraw/zinc/19/49/89/1325194989.db2.gz JAAYXJLCMBFSAF-HUUCEWRRSA-N 2 0 328.378 3.125 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000925601700 1325228390 /nfs/dbraw/zinc/22/83/90/1325228390.db2.gz NCVRZTBQNAFZSF-HUUCEWRRSA-N 2 0 348.878 3.428 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000925616262 1325231114 /nfs/dbraw/zinc/23/11/14/1325231114.db2.gz LIGLVTYVBQSOPI-QLIIJSOBSA-N 2 0 344.499 3.171 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](O)c1c(Cl)cccc1Cl ZINC000925620409 1325235305 /nfs/dbraw/zinc/23/53/05/1325235305.db2.gz WBQICBMVUMDFHY-GCVYGYKWSA-N 2 0 329.271 3.275 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)C12CCC2 ZINC000925665355 1325254887 /nfs/dbraw/zinc/25/48/87/1325254887.db2.gz DPQCJKHGQYFKDW-ILXRZTDVSA-N 2 0 336.277 3.155 10 0 EGAERP Cn1ncc(C(F)(F)F)c1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925721760 1325269434 /nfs/dbraw/zinc/26/94/34/1325269434.db2.gz FNFWEKAUDPWLCT-AWEZNQCLSA-N 2 0 326.366 3.009 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1 ZINC000925723320 1325270486 /nfs/dbraw/zinc/27/04/86/1325270486.db2.gz PJIBMDXNGNYBLQ-LSDHHAIUSA-N 2 0 326.366 3.056 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C1 ZINC000925728225 1325272293 /nfs/dbraw/zinc/27/22/93/1325272293.db2.gz JYJVAHQIVSLANC-XSLAGTTESA-N 2 0 330.472 3.004 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]Cc1ccnc(-c2ccccn2)n1)c1ccccc1 ZINC000925762088 1325289480 /nfs/dbraw/zinc/28/94/80/1325289480.db2.gz GLOAWBCYWVAZGO-SFHVURJKSA-N 2 0 333.439 3.108 10 0 EGAERP CC1(C)CO[C@H](CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000925773536 1325293621 /nfs/dbraw/zinc/29/36/21/1325293621.db2.gz CVMDUOPVKNEWID-OXFYSEKESA-N 2 0 330.472 3.037 10 0 EGAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1OC ZINC000925799381 1325306351 /nfs/dbraw/zinc/30/63/51/1325306351.db2.gz UNQRURDTGPEYKR-ZHALLVOQSA-N 3 0 347.547 3.433 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]CCc1ccnn1-c1ccccc1)c1ccccc1 ZINC000925806244 1325308510 /nfs/dbraw/zinc/30/85/10/1325308510.db2.gz ZDSGTIPMSCWJLM-OAQYLSRUSA-N 2 0 334.467 3.485 10 0 EGAERP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925814318 1325313518 /nfs/dbraw/zinc/31/35/18/1325313518.db2.gz HSBGYUJERFBEGZ-LJQANCHMSA-N 2 0 343.540 3.353 10 0 EGAERP Cc1cccc([C@H]([NH2+]CCN2CCC([NH3+])CC2)c2cccc(F)c2)c1 ZINC000925817705 1325314942 /nfs/dbraw/zinc/31/49/42/1325314942.db2.gz VTKCUNFKKPWKHC-NRFANRHFSA-N 2 0 341.474 3.236 10 0 EGAERP Fc1ccc([C@@H](C[C@@H]2CCOC2)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925840104 1325324321 /nfs/dbraw/zinc/32/43/21/1325324321.db2.gz KPAFHXZMPBHNCY-YGWPLHOASA-N 2 0 332.463 3.415 10 0 EGAERP COc1ccc([C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C(C)C)cc1 ZINC000925846993 1325328565 /nfs/dbraw/zinc/32/85/65/1325328565.db2.gz ZEXDTZJBEUJKFP-HXUWFJFHSA-N 2 0 333.520 3.057 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2ccccc2s1 ZINC000925850005 1325329339 /nfs/dbraw/zinc/32/93/39/1325329339.db2.gz LKJHXJCXEQDMQP-ZFWWWQNUSA-N 2 0 344.480 3.237 10 0 EGAERP O=C1O[C@H](C[NH2+][C@H]2CCCC[C@H]2C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925850540 1325329401 /nfs/dbraw/zinc/32/94/01/1325329401.db2.gz JBXYWKOSKMBXTI-FHWLQOOXSA-N 2 0 348.531 3.400 10 0 EGAERP CCSc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925851719 1325330285 /nfs/dbraw/zinc/33/02/85/1325330285.db2.gz NGVFIAIXTGCPEQ-GOEBONIOSA-N 2 0 348.512 3.135 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000925880582 1325340778 /nfs/dbraw/zinc/34/07/78/1325340778.db2.gz TUKMSHQEMBHKQD-LUYSREMJSA-N 3 0 327.516 3.147 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1OC ZINC000925887731 1325344548 /nfs/dbraw/zinc/34/45/48/1325344548.db2.gz LCZFDGXMEBPWNX-UQASEVPWSA-N 2 0 340.467 3.414 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000926636128 1327646849 /nfs/dbraw/zinc/64/68/49/1327646849.db2.gz RVNSWCCNHGXUFG-WOZUAGRISA-N 2 0 328.500 3.127 10 0 EGAERP COC[C@@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000926680010 1327662640 /nfs/dbraw/zinc/66/26/40/1327662640.db2.gz JNBFKHAIJNBPTI-OTYNDTSQSA-N 2 0 346.515 3.213 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H](C3CCC3)[C@H]3CCOC3)CC2)ccn1 ZINC000926694206 1327669931 /nfs/dbraw/zinc/66/99/31/1327669931.db2.gz REIFLZLJABJCDL-SFTDATJTSA-N 2 0 343.515 3.088 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)C2)CO1 ZINC000926777571 1327711716 /nfs/dbraw/zinc/71/17/16/1327711716.db2.gz KGVMKIKEFSOUIO-CLCXNKSOSA-N 2 0 328.500 3.302 10 0 EGAERP CC(=O)N[C@H](c1ccccc1F)[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926794712 1327720748 /nfs/dbraw/zinc/72/07/48/1327720748.db2.gz BFCZWBQOKMFJCW-RDGXXEPHSA-N 2 0 349.494 3.244 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnnn1-c1ccccc1 ZINC000926798742 1327721521 /nfs/dbraw/zinc/72/15/21/1327721521.db2.gz WHBQSONPZVCTCI-MDCZIUGASA-N 2 0 327.476 3.181 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1cccc(C[NH+](C)C)c1 ZINC000926845826 1327739208 /nfs/dbraw/zinc/73/92/08/1327739208.db2.gz SHMDKIHXBMZHPI-PXNSSMCTSA-N 2 0 346.515 3.375 10 0 EGAERP C[C@@H]([NH2+]Cc1ccnc(-c2ccccn2)n1)c1cccc(C[NH+](C)C)c1 ZINC000926851588 1327739730 /nfs/dbraw/zinc/73/97/30/1327739730.db2.gz UMYDQXBVPOQKNH-MRXNPFEDSA-N 2 0 347.466 3.451 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@H]2C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876198 1327751164 /nfs/dbraw/zinc/75/11/64/1327751164.db2.gz IFTLYHRPBZGWCF-DWXZBXMZSA-N 2 0 346.515 3.371 10 0 EGAERP CC1CC[NH+](Cc2ccc(-c3noc(C4=CC[C@H]([NH3+])C4)n3)cc2)CC1 ZINC000863667412 1329572582 /nfs/dbraw/zinc/57/25/82/1329572582.db2.gz IFZSRYKNNVNBGJ-SFHVURJKSA-N 2 0 338.455 3.473 10 0 EGAERP COc1ccc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)cc1O ZINC000865774122 1329736803 /nfs/dbraw/zinc/73/68/03/1329736803.db2.gz PQIIQKTUOCUGHE-UHFFFAOYSA-N 2 0 340.467 3.154 10 0 EGAERP CC(C)c1ccccc1NC(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000866040554 1330058353 /nfs/dbraw/zinc/05/83/53/1330058353.db2.gz ADHSWRSAIDQJIP-IAGOWNOFSA-N 2 0 346.519 3.013 10 0 EGAERP CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000866661953 1330138866 /nfs/dbraw/zinc/13/88/66/1330138866.db2.gz XTQKNPXOXJNFIO-BHIYHBOVSA-N 2 0 329.488 3.176 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)CC1 ZINC001323086623 1387285793 /nfs/dbraw/zinc/28/57/93/1387285793.db2.gz AXNKVTXYDZBYCU-FQEVSTJZSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H]1CN(C(=O)Cc2cncn2C)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001323157522 1387303863 /nfs/dbraw/zinc/30/38/63/1387303863.db2.gz DONGTWOGFSNUEL-WMZOPIPTSA-N 2 0 348.535 3.006 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001323479797 1387374585 /nfs/dbraw/zinc/37/45/85/1387374585.db2.gz NGFLGDWCWLSPPS-UHFFFAOYSA-N 2 0 328.460 3.075 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001323569329 1387392178 /nfs/dbraw/zinc/39/21/78/1387392178.db2.gz ZRLDXLIZFLUUJV-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001323670667 1387421317 /nfs/dbraw/zinc/42/13/17/1387421317.db2.gz VEWVYYDCXSZBQA-RKCFZARGSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001324484504 1387643060 /nfs/dbraw/zinc/64/30/60/1387643060.db2.gz VVWPCDZNEHTVCD-RBUKOAKNSA-N 2 0 337.552 3.027 10 0 EGAERP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001324619019 1387701846 /nfs/dbraw/zinc/70/18/46/1387701846.db2.gz GVZQYDOGTMEOIU-FQEVSTJZSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001324742825 1387758976 /nfs/dbraw/zinc/75/89/76/1387758976.db2.gz TVJWZINXYWTIIS-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001324817904 1387783041 /nfs/dbraw/zinc/78/30/41/1387783041.db2.gz OUCUHHBWTNLPIZ-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001324868740 1387797635 /nfs/dbraw/zinc/79/76/35/1387797635.db2.gz NGFWKPRXCYVXGY-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001324958602 1387851919 /nfs/dbraw/zinc/85/19/19/1387851919.db2.gz VASDHVOGYQUVBQ-UYAOXDASSA-N 2 0 337.552 3.127 10 0 EGAERP COCC[N@H+](CC[C@H]1CCc2ccccc21)CC1CC[NH+](C)CC1 ZINC001196781789 1368684194 /nfs/dbraw/zinc/68/41/94/1368684194.db2.gz IWDGYRAUFBHACA-HXUWFJFHSA-N 2 0 330.516 3.397 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001325465647 1387982748 /nfs/dbraw/zinc/98/27/48/1387982748.db2.gz HYKYGNXCGNZVKL-FXAWDEMLSA-N 2 0 343.515 3.155 10 0 EGAERP Brc1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cn1 ZINC001202579571 1369812041 /nfs/dbraw/zinc/81/20/41/1369812041.db2.gz MDXUWSQCDYPLHR-UHFFFAOYSA-N 2 0 326.282 3.200 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001325918098 1388082131 /nfs/dbraw/zinc/08/21/31/1388082131.db2.gz DPDNZOMEPKZYAE-JNVNVXKGSA-N 2 0 335.536 3.140 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@H](C)C1 ZINC001119824241 1371409982 /nfs/dbraw/zinc/40/99/82/1371409982.db2.gz XAQZWHXTBGZHJO-UUAJXVIYSA-N 2 0 330.463 3.004 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001326521644 1388228436 /nfs/dbraw/zinc/22/84/36/1388228436.db2.gz MEUYZHZDACNGCP-GUDVDZBRSA-N 2 0 349.563 3.316 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@@H]3CCC[C@H]4CCC[N@@H+]43)CCC2)C1 ZINC001326900460 1388343485 /nfs/dbraw/zinc/34/34/85/1388343485.db2.gz UVVBNQMJGMJCIA-ROUUACIJSA-N 2 0 347.547 3.068 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327156491 1388410804 /nfs/dbraw/zinc/41/08/04/1388410804.db2.gz LQTRKNWAWNQENT-HMECNJMJSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)C(C)(C)C(F)F ZINC001327215080 1388448544 /nfs/dbraw/zinc/44/85/44/1388448544.db2.gz AUQLMFRZWWIWRX-AWEZNQCLSA-N 2 0 325.447 3.208 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001264122181 1377140027 /nfs/dbraw/zinc/14/00/27/1377140027.db2.gz HRSNDWNWYSSEAU-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001266039894 1377178611 /nfs/dbraw/zinc/17/86/11/1377178611.db2.gz CXUYKYJDOKSTQV-MHJFOBGBSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001266119873 1377196268 /nfs/dbraw/zinc/19/62/68/1377196268.db2.gz OGUHNYOISOFBAH-WOJBJXKFSA-N 2 0 345.531 3.401 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001266143500 1377205191 /nfs/dbraw/zinc/20/51/91/1377205191.db2.gz HJLLSPKENHMCSA-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001266251447 1377248561 /nfs/dbraw/zinc/24/85/61/1377248561.db2.gz CYZDLVAGNNMBKA-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](C)CCC1=CCCCC1 ZINC001266290956 1377260426 /nfs/dbraw/zinc/26/04/26/1377260426.db2.gz QHMVBGBIASXDKE-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C)CC1=CCCCC1)c1ccccc1 ZINC001266347912 1377287600 /nfs/dbraw/zinc/28/76/00/1377287600.db2.gz SGLHIYIZWFUYBG-FQEVSTJZSA-N 2 0 343.515 3.228 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001266382535 1377302106 /nfs/dbraw/zinc/30/21/06/1377302106.db2.gz RVHGSHZWRJKIKK-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266526459 1377327910 /nfs/dbraw/zinc/32/79/10/1377327910.db2.gz VNYLDIRTKQFNHQ-QZTJIDSGSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001266625076 1377349700 /nfs/dbraw/zinc/34/97/00/1377349700.db2.gz XHTGCTVFODATDW-IHPCNDPISA-N 2 0 349.563 3.458 10 0 EGAERP Cc1cc(C)c(C(=O)NCCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)n1 ZINC001136254954 1377368874 /nfs/dbraw/zinc/36/88/74/1377368874.db2.gz GESXTDULJKIIQG-GASCZTMLSA-N 2 0 331.504 3.495 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853817 1377395142 /nfs/dbraw/zinc/39/51/42/1377395142.db2.gz UJTUVOHBFKYLOQ-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267047141 1377408277 /nfs/dbraw/zinc/40/82/77/1377408277.db2.gz HYANOACHFWKTPC-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001137309999 1377514134 /nfs/dbraw/zinc/51/41/34/1377514134.db2.gz XGOZZEIMUGCANS-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001272093390 1377656985 /nfs/dbraw/zinc/65/69/85/1377656985.db2.gz PTQYBKCSKUTNTF-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327454375 1388523008 /nfs/dbraw/zinc/52/30/08/1388523008.db2.gz AGPBEUWEBFZYLC-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001327480133 1388531645 /nfs/dbraw/zinc/53/16/45/1388531645.db2.gz VAYVSXMSFUAYJT-RBUKOAKNSA-N 2 0 347.547 3.164 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]Cc2ccc(C)cc2)CC1 ZINC001327489097 1388533580 /nfs/dbraw/zinc/53/35/80/1388533580.db2.gz WHUXAGGJZOBYHC-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001275657224 1378150665 /nfs/dbraw/zinc/15/06/65/1378150665.db2.gz BYZUHOSQEHLKIW-PBHICJAKSA-N 2 0 347.528 3.178 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(F)cc1)[NH+](C)C ZINC001276313253 1378171048 /nfs/dbraw/zinc/17/10/48/1378171048.db2.gz ZXWSZNCEKRNZJJ-RTBURBONSA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001276885705 1378192016 /nfs/dbraw/zinc/19/20/16/1378192016.db2.gz AFXMOYIUIXUYPM-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001280488463 1378350701 /nfs/dbraw/zinc/35/07/01/1378350701.db2.gz XSJZWADQKMJHED-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC001282678223 1378550821 /nfs/dbraw/zinc/55/08/21/1378550821.db2.gz PQTPNIZFXQXNOY-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@H]1C(C)(C)C ZINC001144025341 1378673041 /nfs/dbraw/zinc/67/30/41/1378673041.db2.gz TVXDDGPUGCSEHY-IBGZPJMESA-N 2 0 343.515 3.085 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001282959298 1378686963 /nfs/dbraw/zinc/68/69/63/1378686963.db2.gz UKIJXVGMIFLFNC-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001283052293 1378718136 /nfs/dbraw/zinc/71/81/36/1378718136.db2.gz NWZFWXQONKUSLH-FHWLQOOXSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001283092221 1378729611 /nfs/dbraw/zinc/72/96/11/1378729611.db2.gz QKHCTNFUBZXLOM-UAPYVXQJSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H](CCC[NH2+]Cc1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001283213231 1378761663 /nfs/dbraw/zinc/76/16/63/1378761663.db2.gz BLSREZSCAPTSBC-MRXNPFEDSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001283679533 1379108808 /nfs/dbraw/zinc/10/88/08/1379108808.db2.gz WUYFSQWFIMBWTR-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(C)c1 ZINC001283937177 1379287155 /nfs/dbraw/zinc/28/71/55/1379287155.db2.gz ATCRZHYBIKBSOX-AZUAARDMSA-N 2 0 345.531 3.031 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCC(C)(C)CC1)CC2 ZINC001284066610 1379423552 /nfs/dbraw/zinc/42/35/52/1379423552.db2.gz HSUNDEBBTRNPBE-GHTZIAJQSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCCCC1)CC2 ZINC001284067267 1379425168 /nfs/dbraw/zinc/42/51/68/1379425168.db2.gz ATVWRUJJZNTMMM-PZJWPPBQSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@@H]12 ZINC001284072113 1379435999 /nfs/dbraw/zinc/43/59/99/1379435999.db2.gz PVMHLYQDHBYUCL-DYESRHJHSA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001284131667 1379513463 /nfs/dbraw/zinc/51/34/63/1379513463.db2.gz NJGCVOVWROTWKC-XOUUWWQPSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001284210008 1379599788 /nfs/dbraw/zinc/59/97/88/1379599788.db2.gz LGPUOQHENYEYCQ-QUCCMNQESA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C(C)C)c1 ZINC001284544074 1379950810 /nfs/dbraw/zinc/95/08/10/1379950810.db2.gz KTZYLRHNUDHIJB-LJQANCHMSA-N 2 0 345.531 3.006 10 0 EGAERP Cc1c(C(=O)N(CC[N@H+](C)CCC2CC2)C(C)C)ccc2c[nH+]cn21 ZINC001284544440 1379952172 /nfs/dbraw/zinc/95/21/72/1379952172.db2.gz QOPNWVFVALDWJC-UHFFFAOYSA-N 2 0 342.487 3.225 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001327995410 1388640971 /nfs/dbraw/zinc/64/09/71/1388640971.db2.gz LASIDTNXXJNRBS-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP CN(C(=O)C(C)(C)[NH+]1CCCC1)C1CC([NH2+]CCCC2CCC2)C1 ZINC001284784677 1380207525 /nfs/dbraw/zinc/20/75/25/1380207525.db2.gz PUQNRTVIFHGUOZ-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC1(C)C)[NH+](CC)CC ZINC001328102528 1388674235 /nfs/dbraw/zinc/67/42/35/1388674235.db2.gz NRRICWGAJWSULJ-ZWKOTPCHSA-N 2 0 337.552 3.290 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001328103655 1388675233 /nfs/dbraw/zinc/67/52/33/1388675233.db2.gz VLAMXMLDPYOJOP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001328112212 1388676215 /nfs/dbraw/zinc/67/62/15/1388676215.db2.gz CGTUMWJRJWITQJ-PKOBYXMFSA-N 2 0 345.531 3.305 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C/Cl ZINC001328389012 1388735165 /nfs/dbraw/zinc/73/51/65/1388735165.db2.gz UCKNAIVSHVOQCN-YKPUQYGBSA-N 2 0 341.927 3.020 10 0 EGAERP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC(C)CC1 ZINC001328460107 1388751446 /nfs/dbraw/zinc/75/14/46/1388751446.db2.gz YLNIHUPHJKLPRL-XBMUEBEBSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001328731819 1388829217 /nfs/dbraw/zinc/82/92/17/1388829217.db2.gz ALIYARNTJXRFOR-RBUKOAKNSA-N 2 0 346.519 3.359 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2)c1ccccc1 ZINC001168337416 1383877132 /nfs/dbraw/zinc/87/71/32/1383877132.db2.gz FDUBZGIBQOIJJN-QYZOEREBSA-N 2 0 343.515 3.059 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)C2)ccn1 ZINC001307955027 1384063401 /nfs/dbraw/zinc/06/34/01/1384063401.db2.gz OWKLAJODDRPPNH-UIFIKXQLSA-N 2 0 343.515 3.423 10 0 EGAERP COc1ccc([C@H](C)C[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001308073398 1384086250 /nfs/dbraw/zinc/08/62/50/1384086250.db2.gz PZCSDWMQXNBFKN-MRXNPFEDSA-N 2 0 332.488 3.032 10 0 EGAERP Brc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001308227889 1384110755 /nfs/dbraw/zinc/11/07/55/1384110755.db2.gz UOBRPNKXJDNBDJ-UHFFFAOYSA-N 2 0 343.228 3.320 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316610911 1384480870 /nfs/dbraw/zinc/48/08/70/1384480870.db2.gz MMMVJHWAZCIANY-HCZHMGAMSA-N 2 0 343.515 3.251 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001316652125 1384506394 /nfs/dbraw/zinc/50/63/94/1384506394.db2.gz YRCURTWRHDWOJN-ZSYWTGECSA-N 2 0 337.552 3.027 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001316772881 1384571574 /nfs/dbraw/zinc/57/15/74/1384571574.db2.gz LWBZDKCGMLHEKJ-SIJIIQCFSA-N 2 0 343.943 3.078 10 0 EGAERP CCc1cccc(C[N@H+](CC)CCCNC(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001316895675 1384674743 /nfs/dbraw/zinc/67/47/43/1384674743.db2.gz QZFMKVJTLNEFLT-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001316996948 1384754088 /nfs/dbraw/zinc/75/40/88/1384754088.db2.gz AYHRHRKEHCSUEF-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001317033068 1384802045 /nfs/dbraw/zinc/80/20/45/1384802045.db2.gz FBMXWMUOJFDFQH-VQTJNVASSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317140771 1384909340 /nfs/dbraw/zinc/90/93/40/1384909340.db2.gz QNEIIFCTFKTBES-SFHVURJKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001317164638 1384928053 /nfs/dbraw/zinc/92/80/53/1384928053.db2.gz ZGVCXRRVYRZHQF-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001317187011 1384961867 /nfs/dbraw/zinc/96/18/67/1384961867.db2.gz CKEOHQSEVQGWJT-LLHWWHOWSA-N 2 0 347.547 3.189 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001317195233 1384969608 /nfs/dbraw/zinc/96/96/08/1384969608.db2.gz YOTRIQRMNPMLFN-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317208257 1384983891 /nfs/dbraw/zinc/98/38/91/1384983891.db2.gz XRSUAKNRUBPBKC-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001317209569 1384988364 /nfs/dbraw/zinc/98/83/64/1384988364.db2.gz SRCROMCFPRYWOY-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355782 1385102193 /nfs/dbraw/zinc/10/21/93/1385102193.db2.gz MOABEPHNSXPUOV-SJORKVTESA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCCC1 ZINC001317423189 1385130159 /nfs/dbraw/zinc/13/01/59/1385130159.db2.gz LQRVPQGMZMUBDI-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccsc1 ZINC001317480212 1385176195 /nfs/dbraw/zinc/17/61/95/1385176195.db2.gz SIXDAVWLWFYABU-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CCC(C)CC1 ZINC001317547287 1385298164 /nfs/dbraw/zinc/29/81/64/1385298164.db2.gz KDFLNETVPCDBKR-GRERDSQWSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001317553456 1385316290 /nfs/dbraw/zinc/31/62/90/1385316290.db2.gz KUKYCVFFPDYHSW-IBGZPJMESA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723353 1385423844 /nfs/dbraw/zinc/42/38/44/1385423844.db2.gz GBEWVQNYTIGTQK-VQTJNVASSA-N 2 0 343.515 3.106 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001317725327 1385425408 /nfs/dbraw/zinc/42/54/08/1385425408.db2.gz SIHOHXVESRQQJJ-AZUAARDMSA-N 2 0 345.531 3.498 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@H](CCNC(=O)CC[NH+](C)C)C2)cc1 ZINC001317800766 1385494460 /nfs/dbraw/zinc/49/44/60/1385494460.db2.gz KDZUGNLLUDWJLP-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317810157 1385507640 /nfs/dbraw/zinc/50/76/40/1385507640.db2.gz YONOQZKCGYIUGI-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686712 1385840284 /nfs/dbraw/zinc/84/02/84/1385840284.db2.gz REQATFQTIRVXKC-PZJWPPBQSA-N 2 0 347.547 3.234 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001318897154 1385873988 /nfs/dbraw/zinc/87/39/88/1385873988.db2.gz YCWQTALKFWVDBW-PHWHVTFISA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001318956708 1385896357 /nfs/dbraw/zinc/89/63/57/1385896357.db2.gz PVFMTCDDLNZUNL-QAQDUYKDSA-N 2 0 349.544 3.407 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H]([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001318976661 1385905591 /nfs/dbraw/zinc/90/55/91/1385905591.db2.gz QTGDWZLUPJBOSJ-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH+]1CCC(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319046037 1385944709 /nfs/dbraw/zinc/94/47/09/1385944709.db2.gz XSWRELJMZTVPBT-WOQGQJNTSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001319044455 1385944775 /nfs/dbraw/zinc/94/47/75/1385944775.db2.gz QCQFPAONAPXZCL-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC2(CC[N@H+](CC3CCCC3)C2)CC1 ZINC001319145632 1385979009 /nfs/dbraw/zinc/97/90/09/1385979009.db2.gz VHAZOLAQXNIQLV-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001319405500 1386107108 /nfs/dbraw/zinc/10/71/08/1386107108.db2.gz OXLOPVNGKHEFJX-VJIACCKLSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001319478187 1386139845 /nfs/dbraw/zinc/13/98/45/1386139845.db2.gz RUCLXEZRVADUNJ-VQIMIIECSA-N 2 0 333.520 3.087 10 0 EGAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319516476 1386156771 /nfs/dbraw/zinc/15/67/71/1386156771.db2.gz XXENYSGIBHJCCK-PKOBYXMFSA-N 2 0 337.552 3.410 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592304 1386194705 /nfs/dbraw/zinc/19/47/05/1386194705.db2.gz IPJVPIHKSKHWAK-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319620833 1386214937 /nfs/dbraw/zinc/21/49/37/1386214937.db2.gz PZPNWDNFFLGCCG-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319635324 1386223291 /nfs/dbraw/zinc/22/32/91/1386223291.db2.gz HZDVYHMWJMTHFP-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC1(C[NH2+]C/C=C/Cl)CCCC1 ZINC001698635748 1406281059 /nfs/dbraw/zinc/28/10/59/1406281059.db2.gz DAZVBIFNNDNPSK-YRNVUSSQSA-N 2 0 341.927 3.024 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001319779478 1386293879 /nfs/dbraw/zinc/29/38/79/1386293879.db2.gz USJIAMYAALSBQW-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830799 1386324175 /nfs/dbraw/zinc/32/41/75/1386324175.db2.gz GPTBELDTPNCOSX-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001319944469 1386407485 /nfs/dbraw/zinc/40/74/85/1386407485.db2.gz PAMGGHHMLJWZNE-GOSISDBHSA-N 2 0 349.563 3.029 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320069225 1386489447 /nfs/dbraw/zinc/48/94/47/1386489447.db2.gz TUPYZTDFPVRXPB-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001320112175 1386520589 /nfs/dbraw/zinc/52/05/89/1386520589.db2.gz SJNRDMABCXBGCP-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2CCCC2)C1 ZINC001320112828 1386521366 /nfs/dbraw/zinc/52/13/66/1386521366.db2.gz WARAIECMYWSRTE-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N[C@](C)(C[NH2+]Cc1cc(C)ccc1C)C1CC1)[NH+](C)C ZINC001698651642 1406302036 /nfs/dbraw/zinc/30/20/36/1406302036.db2.gz IJLCGIJTBFXSAL-TZIWHRDSSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464638 1386617253 /nfs/dbraw/zinc/61/72/53/1386617253.db2.gz QMQKXMRNWPERRF-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001698658093 1406308939 /nfs/dbraw/zinc/30/89/39/1406308939.db2.gz BQBXPELPDDFJNH-UTKZUKDTSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCC[NH+]1CCCC1 ZINC001320645108 1386678005 /nfs/dbraw/zinc/67/80/05/1386678005.db2.gz PQMPCDUZGWCVQT-FXAWDEMLSA-N 2 0 343.515 3.034 10 0 EGAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320817817 1386726871 /nfs/dbraw/zinc/72/68/71/1386726871.db2.gz AKTSGUQSOLOOAH-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001698666379 1406317222 /nfs/dbraw/zinc/31/72/22/1406317222.db2.gz ZLALWOVQEHOLDL-DYESRHJHSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CC=C(C)C)CC2)C1 ZINC001698699585 1406342399 /nfs/dbraw/zinc/34/23/99/1406342399.db2.gz XIVGUJJKGIWAIH-FQEVSTJZSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001698704511 1406345858 /nfs/dbraw/zinc/34/58/58/1406345858.db2.gz QPZORKIOCWNTBY-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001322661172 1387221096 /nfs/dbraw/zinc/22/10/96/1387221096.db2.gz BMFSKLJDPDQISL-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001322725770 1387231123 /nfs/dbraw/zinc/23/11/23/1387231123.db2.gz DZNDYJUVVWJRQO-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP Cc1ccccc1C[NH2+]C1CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001329257237 1389038975 /nfs/dbraw/zinc/03/89/75/1389038975.db2.gz ZDDDIXANUJSLBK-UHFFFAOYSA-N 2 0 345.531 3.194 10 0 EGAERP CC[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001329341827 1389068420 /nfs/dbraw/zinc/06/84/20/1389068420.db2.gz HFDNXLJKPDSYPN-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001329591579 1389170751 /nfs/dbraw/zinc/17/07/51/1389170751.db2.gz CKCKINPJUIUQHE-OXQOHEQNSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001329749212 1389217285 /nfs/dbraw/zinc/21/72/85/1389217285.db2.gz GCPGIHJNSQMNTJ-SFHVURJKSA-N 2 0 337.552 3.290 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2CC2=CCCCC2)C1 ZINC001329940607 1389268555 /nfs/dbraw/zinc/26/85/55/1389268555.db2.gz ZEDYCRODKBQELB-QUCCMNQESA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001330536566 1389448073 /nfs/dbraw/zinc/44/80/73/1389448073.db2.gz ATNSSMMBITUEOS-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001330685716 1389496583 /nfs/dbraw/zinc/49/65/83/1389496583.db2.gz BDYXFCULWCSBEO-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001331017211 1389599008 /nfs/dbraw/zinc/59/90/08/1389599008.db2.gz XOFBCILVYPFDSY-OVKVCFKUSA-N 2 0 335.536 3.138 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC(C)C1 ZINC001331490615 1389768156 /nfs/dbraw/zinc/76/81/56/1389768156.db2.gz HBZSDFFEHVTPDK-CGZBRXJRSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001331516629 1389779387 /nfs/dbraw/zinc/77/93/87/1389779387.db2.gz BLLXMGAWGFEYKC-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001331517291 1389780119 /nfs/dbraw/zinc/78/01/19/1389780119.db2.gz FTRHEIJPZNRXRM-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCCCCC1 ZINC001331520876 1389781685 /nfs/dbraw/zinc/78/16/85/1389781685.db2.gz WBEZFJMNDTUMJL-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001332045897 1389955638 /nfs/dbraw/zinc/95/56/38/1389955638.db2.gz GJIHAFHSYOKVLY-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCCCC1)CC2 ZINC001332109290 1389987811 /nfs/dbraw/zinc/98/78/11/1389987811.db2.gz FSUUIHYJUUXBCA-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]21 ZINC001332141965 1390005037 /nfs/dbraw/zinc/00/50/37/1390005037.db2.gz UDEJRMCFPINWSE-GUDVDZBRSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001332710379 1390162876 /nfs/dbraw/zinc/16/28/76/1390162876.db2.gz DPUSCTUNYQVBAO-MOPGFXCFSA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001332972285 1390226773 /nfs/dbraw/zinc/22/67/73/1390226773.db2.gz JGSYAZXTJINDLV-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333182358 1390263363 /nfs/dbraw/zinc/26/33/63/1390263363.db2.gz YZMQYZBVVSAMFK-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CCC2CCCCC2)CC1 ZINC001333432455 1390303627 /nfs/dbraw/zinc/30/36/27/1390303627.db2.gz PJZVNGZMKPBANK-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C[C@@H]21 ZINC001333765860 1390396442 /nfs/dbraw/zinc/39/64/42/1390396442.db2.gz BDIOKRUWOWASMZ-WIYYGXSFSA-N 2 0 334.410 3.266 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798524 1406470543 /nfs/dbraw/zinc/47/05/43/1406470543.db2.gz QIJUHGRAADRILR-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001698802537 1406480712 /nfs/dbraw/zinc/48/07/12/1406480712.db2.gz GDWUWOMWJGMUDR-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001698802161 1406479591 /nfs/dbraw/zinc/47/95/91/1406479591.db2.gz BWFHVUNWTGJWKP-ZWKOTPCHSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001698803351 1406481359 /nfs/dbraw/zinc/48/13/59/1406481359.db2.gz MFCDHUYMDDVMFD-IBGZPJMESA-N 2 0 347.547 3.380 10 0 EGAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001349869842 1391378425 /nfs/dbraw/zinc/37/84/25/1391378425.db2.gz PEYAGDUXULSUGN-QUCCMNQESA-N 2 0 345.531 3.278 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC2(C[NH+](CC3=CCCCC3)C2)CC1 ZINC001698811165 1406498767 /nfs/dbraw/zinc/49/87/67/1406498767.db2.gz KIQNQFFQNJFDLB-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1c(F)cccc1F ZINC001351506264 1391646719 /nfs/dbraw/zinc/64/67/19/1391646719.db2.gz DCDVHAQPLXSYTH-ISTRZQFTSA-N 2 0 326.431 3.239 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001479389378 1392231381 /nfs/dbraw/zinc/23/13/81/1392231381.db2.gz AMYVGIDQAFRHAU-CGBFIWBNSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001479500461 1392257647 /nfs/dbraw/zinc/25/76/47/1392257647.db2.gz FWOQWIJVYHBFLT-HKVOBHHDSA-N 2 0 349.563 3.386 10 0 EGAERP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479695090 1392325897 /nfs/dbraw/zinc/32/58/97/1392325897.db2.gz VGEDPMBZORGMOD-MOPGFXCFSA-N 2 0 331.504 3.060 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001479708960 1392331953 /nfs/dbraw/zinc/33/19/53/1392331953.db2.gz CTRPRUZQXVJAJC-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479744494 1392359030 /nfs/dbraw/zinc/35/90/30/1392359030.db2.gz DJZGLQQFKFSKGI-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)cc1C ZINC001479815692 1392408585 /nfs/dbraw/zinc/40/85/85/1392408585.db2.gz LGZQVRCRXWBIQR-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CC(C)(C)C1 ZINC001479847209 1392429074 /nfs/dbraw/zinc/42/90/74/1392429074.db2.gz YBNWRJXUWUTFAW-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001479894893 1392464097 /nfs/dbraw/zinc/46/40/97/1392464097.db2.gz IORPOMWRADAMMG-ROUUACIJSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001479895948 1392464623 /nfs/dbraw/zinc/46/46/23/1392464623.db2.gz DZCWQDFTNSSTRM-OVKVCFKUSA-N 2 0 335.536 3.140 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479987531 1392519875 /nfs/dbraw/zinc/51/98/75/1392519875.db2.gz FOQUMSDBFURUFM-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480042928 1392548176 /nfs/dbraw/zinc/54/81/76/1392548176.db2.gz LLEFBMLHZORGGI-UXHICEINSA-N 2 0 347.547 3.234 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001480100682 1392585004 /nfs/dbraw/zinc/58/50/04/1392585004.db2.gz PGVTVLWXUVBFIS-BGYRXZFFSA-N 2 0 343.515 3.227 10 0 EGAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC(C)(C)CC1 ZINC001480182063 1392614096 /nfs/dbraw/zinc/61/40/96/1392614096.db2.gz HVAXSQNMRIDVDL-YQQQUEKLSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001480216517 1392624837 /nfs/dbraw/zinc/62/48/37/1392624837.db2.gz OBVQGNQYSOVXPP-HDICACEKSA-N 2 0 335.536 3.068 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480318397 1392677932 /nfs/dbraw/zinc/67/79/32/1392677932.db2.gz BKRKUBSETWNWCX-GOSISDBHSA-N 2 0 337.552 3.410 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001480330389 1392689684 /nfs/dbraw/zinc/68/96/84/1392689684.db2.gz COWPDRROTXPHQD-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]Cc2ccc(CF)cc2)CC1 ZINC001480412537 1392747728 /nfs/dbraw/zinc/74/77/28/1392747728.db2.gz JVEXVAZGBQNJOP-UHFFFAOYSA-N 2 0 349.494 3.013 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703349 1392866387 /nfs/dbraw/zinc/86/63/87/1392866387.db2.gz YGRWAHDYIUCIDN-MOPGFXCFSA-N 2 0 349.563 3.482 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480705708 1392868476 /nfs/dbraw/zinc/86/84/76/1392868476.db2.gz UGFZJIGNOBCPJE-XOIGSVRCSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480723278 1392885712 /nfs/dbraw/zinc/88/57/12/1392885712.db2.gz BOTAQBZUSRBYLC-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480736446 1392901559 /nfs/dbraw/zinc/90/15/59/1392901559.db2.gz FMICNVXCRHNFKI-MOPGFXCFSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001480772227 1392923960 /nfs/dbraw/zinc/92/39/60/1392923960.db2.gz CEVZLNPRCUGBBC-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCCC1 ZINC001481012246 1393088975 /nfs/dbraw/zinc/08/89/75/1393088975.db2.gz WANAMSRVKHBTFW-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)CC(C)C ZINC001698880753 1406609654 /nfs/dbraw/zinc/60/96/54/1406609654.db2.gz XIUGPRMGRIZYMO-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1=CCCCC1 ZINC001481151960 1393135639 /nfs/dbraw/zinc/13/56/39/1393135639.db2.gz YGSAXKMKHAIQDO-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481265135 1393155266 /nfs/dbraw/zinc/15/52/66/1393155266.db2.gz BMVMGXHZFHGCMB-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C/Cl)CC1)[NH+](CC)CC ZINC001481339961 1393167613 /nfs/dbraw/zinc/16/76/13/1393167613.db2.gz GILDJELRVPVRLB-BQWPMLRZSA-N 2 0 343.943 3.076 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001481405612 1394257713 /nfs/dbraw/zinc/25/77/13/1394257713.db2.gz KCTUIJHYTISHCR-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001490608978 1394280923 /nfs/dbraw/zinc/28/09/23/1394280923.db2.gz IGYUWMUEXYAKOV-ZRHASKPBSA-N 2 0 347.547 3.189 10 0 EGAERP O=C(NCC[C@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001481445307 1394298230 /nfs/dbraw/zinc/29/82/30/1394298230.db2.gz HCFJSNIBJAUZGC-ICSRJNTNSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001490808297 1394352380 /nfs/dbraw/zinc/35/23/80/1394352380.db2.gz BHUMTOAMLIJUHJ-KDURUIRLSA-N 2 0 335.536 3.118 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001481526551 1394378357 /nfs/dbraw/zinc/37/83/57/1394378357.db2.gz MFDNOQOZHJPCLC-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491126874 1394443812 /nfs/dbraw/zinc/44/38/12/1394443812.db2.gz VAVOTKKVAILERQ-RRFGBZISSA-N 2 0 349.563 3.293 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](CCCC2CCC2)C1 ZINC001481703666 1394461902 /nfs/dbraw/zinc/46/19/02/1394461902.db2.gz DDOSWMYBLYDYLV-GOSISDBHSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481744077 1394489589 /nfs/dbraw/zinc/48/95/89/1394489589.db2.gz JRURWBPKCVVTBH-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@@H](N(C)C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001481753015 1394497502 /nfs/dbraw/zinc/49/75/02/1394497502.db2.gz NAQYLUHVXXWHRO-HXUWFJFHSA-N 2 0 345.531 3.012 10 0 EGAERP CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1=CCCCC1 ZINC001481883801 1394577690 /nfs/dbraw/zinc/57/76/90/1394577690.db2.gz YXOXSZAXBQBNGN-FQEVSTJZSA-N 2 0 343.515 3.347 10 0 EGAERP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001698955894 1406703584 /nfs/dbraw/zinc/70/35/84/1406703584.db2.gz CXLLDXFIDCJLPV-LJQANCHMSA-N 2 0 339.568 3.179 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001481981581 1394642916 /nfs/dbraw/zinc/64/29/16/1394642916.db2.gz SWRQXRSLSKRQPD-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001482002238 1394661247 /nfs/dbraw/zinc/66/12/47/1394661247.db2.gz DHJLKMMWEXTBFN-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001482026053 1394683787 /nfs/dbraw/zinc/68/37/87/1394683787.db2.gz FJHRTLSLFVUOGD-VJANTYMQSA-N 2 0 335.536 3.090 10 0 EGAERP CC[C@@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001482035507 1394696715 /nfs/dbraw/zinc/69/67/15/1394696715.db2.gz CJRJFIXIUAXPAB-RTBURBONSA-N 2 0 349.494 3.015 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCC(C)C)C1 ZINC001482061882 1394723677 /nfs/dbraw/zinc/72/36/77/1394723677.db2.gz QUGSNEAUCKDCEZ-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001482385761 1394946302 /nfs/dbraw/zinc/94/63/02/1394946302.db2.gz BESGAINECUQWII-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001698967685 1406728316 /nfs/dbraw/zinc/72/83/16/1406728316.db2.gz FWGXNBGAODYGQA-VQTJNVASSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001482394375 1394955056 /nfs/dbraw/zinc/95/50/56/1394955056.db2.gz PRWMJNGMUWNSJT-IBGZPJMESA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001482455206 1395013831 /nfs/dbraw/zinc/01/38/31/1395013831.db2.gz LFGRUULBMCOZJG-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001482481644 1395035179 /nfs/dbraw/zinc/03/51/79/1395035179.db2.gz PAGSKPWYZCTBLK-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001483911825 1395141349 /nfs/dbraw/zinc/14/13/49/1395141349.db2.gz XQZIHMDYYGEBIR-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001483914005 1395142377 /nfs/dbraw/zinc/14/23/77/1395142377.db2.gz LNWCLTFWRFIEMP-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001483938439 1395153088 /nfs/dbraw/zinc/15/30/88/1395153088.db2.gz WFLALSXLJGMOMO-PKOBYXMFSA-N 2 0 345.531 3.031 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC(C)C ZINC001484018745 1395190536 /nfs/dbraw/zinc/19/05/36/1395190536.db2.gz CDWMUEVXCRZJGX-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001484047220 1395211601 /nfs/dbraw/zinc/21/16/01/1395211601.db2.gz ITHODJOBOAVUTN-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001484100476 1395250374 /nfs/dbraw/zinc/25/03/74/1395250374.db2.gz NHUFUMNULUOGBM-CTNGQTDRSA-N 2 0 349.563 3.269 10 0 EGAERP CC1CC(C[NH+]2CCC(C)(CNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001484138659 1395275618 /nfs/dbraw/zinc/27/56/18/1395275618.db2.gz IIIMXNLJHJZOBI-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484520270 1395414824 /nfs/dbraw/zinc/41/48/24/1395414824.db2.gz FLLAUAOMBRIMHZ-ZMBJWTFHSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484542865 1395424353 /nfs/dbraw/zinc/42/43/53/1395424353.db2.gz YWNNCZAZJLVIIZ-TZFVZSICSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001484553324 1395432743 /nfs/dbraw/zinc/43/27/43/1395432743.db2.gz CXGZZBYAXIRQAY-MBOZVWFJSA-N 2 0 345.531 3.121 10 0 EGAERP CC[C@H](C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001484553326 1395433108 /nfs/dbraw/zinc/43/31/08/1395433108.db2.gz CXGZZBYAXIRQAY-SQGPQFPESA-N 2 0 345.531 3.121 10 0 EGAERP CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001484556421 1395436239 /nfs/dbraw/zinc/43/62/39/1395436239.db2.gz WGQGILHGYYFVKW-UHFFFAOYSA-N 2 0 343.515 3.043 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001484560070 1395443303 /nfs/dbraw/zinc/44/33/03/1395443303.db2.gz CEUZZCDGDYHWJG-INIZCTEOSA-N 2 0 331.504 3.095 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698982324 1406761220 /nfs/dbraw/zinc/76/12/20/1406761220.db2.gz ZAMZRNOBVIVXSJ-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001484723910 1395487610 /nfs/dbraw/zinc/48/76/10/1395487610.db2.gz KYGGBTBVHVPTCF-UXHICEINSA-N 2 0 343.515 3.060 10 0 EGAERP CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)CC[NH+]1CCCCC1 ZINC001484769257 1395525861 /nfs/dbraw/zinc/52/58/61/1395525861.db2.gz QSNHWBYHFCSJTN-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[NH+](C)CCCCC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CCC1)C2 ZINC001484875802 1395579579 /nfs/dbraw/zinc/57/95/79/1395579579.db2.gz RUDNULRISKDHDH-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001484975848 1395615734 /nfs/dbraw/zinc/61/57/34/1395615734.db2.gz JNPHFHNYWDJJJN-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001485289346 1395766424 /nfs/dbraw/zinc/76/64/24/1395766424.db2.gz ZXPAWYDAWRDOOA-LPHOPBHVSA-N 2 0 345.531 3.015 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCCC1CCCC1 ZINC001485345996 1395818246 /nfs/dbraw/zinc/81/82/46/1395818246.db2.gz WZLPYYUIZOBWIV-SCTDSRPQSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1C[NH+](CCCC(C)(C)C)C1 ZINC001485510065 1395988585 /nfs/dbraw/zinc/98/85/85/1395988585.db2.gz MORUMVNLEWETOM-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001698997887 1406799068 /nfs/dbraw/zinc/79/90/68/1406799068.db2.gz CFRJUEKTJQGODH-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001485765376 1396140412 /nfs/dbraw/zinc/14/04/12/1396140412.db2.gz IBVPRKYKCYUBQZ-UHFFFAOYSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930740 1396170205 /nfs/dbraw/zinc/17/02/05/1396170205.db2.gz XQQSKQAIUYWFKK-WMZOPIPTSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960204 1396174072 /nfs/dbraw/zinc/17/40/72/1396174072.db2.gz BKQLVNLDUPEHMD-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001486235071 1396185699 /nfs/dbraw/zinc/18/56/99/1396185699.db2.gz RFRIOUXGBGPPNB-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccccc1C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001486365059 1396193566 /nfs/dbraw/zinc/19/35/66/1396193566.db2.gz ODCXFYLYXMJDHB-FQEVSTJZSA-N 2 0 345.531 3.012 10 0 EGAERP CC/C=C\CC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001502647152 1396211211 /nfs/dbraw/zinc/21/12/11/1396211211.db2.gz HEAKNOMEJJGJGM-BBIZLLLXSA-N 2 0 341.499 3.069 10 0 EGAERP Cc1ccccc1C[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491959640 1396300889 /nfs/dbraw/zinc/30/08/89/1396300889.db2.gz OICLKQKWCMGYLY-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492156654 1396309356 /nfs/dbraw/zinc/30/93/56/1396309356.db2.gz IBKRDQLQABRETL-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCCC1CCCC1)CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001492303207 1396318351 /nfs/dbraw/zinc/31/83/51/1396318351.db2.gz IGYSICBJCOTSSJ-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001494072823 1396351312 /nfs/dbraw/zinc/35/13/12/1396351312.db2.gz GJKGRNNGGXVDIW-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(C)cc2)C1 ZINC001496143982 1396610593 /nfs/dbraw/zinc/61/05/93/1396610593.db2.gz GOVWJOSNRSOSMM-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001496417123 1396700012 /nfs/dbraw/zinc/70/00/12/1396700012.db2.gz YUFDRGMMWBAHFM-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001497268723 1396740802 /nfs/dbraw/zinc/74/08/02/1396740802.db2.gz PDLWETPZKYFFQE-APWZRJJASA-N 2 0 347.547 3.309 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)C[N@H+](C)C1CCC1 ZINC001497400904 1396755462 /nfs/dbraw/zinc/75/54/62/1396755462.db2.gz MGVBLIIDTSEGOO-GOSISDBHSA-N 2 0 345.531 3.287 10 0 EGAERP Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001497878305 1396868407 /nfs/dbraw/zinc/86/84/07/1396868407.db2.gz PJIXOUXJRBHMPL-GOSISDBHSA-N 2 0 345.531 3.081 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001497969639 1396894004 /nfs/dbraw/zinc/89/40/04/1396894004.db2.gz ZIJDBZMTGMNUHD-SJLPKXTDSA-N 2 0 325.541 3.027 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001689271815 1397007486 /nfs/dbraw/zinc/00/74/86/1397007486.db2.gz QUOPGRNJIWCBNG-IBGZPJMESA-N 2 0 337.552 3.413 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001689292042 1397022768 /nfs/dbraw/zinc/02/27/68/1397022768.db2.gz PMBKYZQTIXXQRO-SQNIBIBYSA-N 2 0 337.552 3.265 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001498483180 1397029061 /nfs/dbraw/zinc/02/90/61/1397029061.db2.gz AGXFKAVWNAZUTE-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCCC1CCC1 ZINC001689318318 1397035008 /nfs/dbraw/zinc/03/50/08/1397035008.db2.gz DTMITGYAHLEJIY-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001689318828 1397035065 /nfs/dbraw/zinc/03/50/65/1397035065.db2.gz QWUHIZAWIRTQDP-UIVAWZFMSA-N 2 0 337.552 3.290 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001689348751 1397047657 /nfs/dbraw/zinc/04/76/57/1397047657.db2.gz INTRFGNVIJNOQT-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001689353668 1403685356 /nfs/dbraw/zinc/68/53/56/1403685356.db2.gz JVMFCYBBWSBEQT-QUCCMNQESA-N 2 0 345.531 3.402 10 0 EGAERP CC[C@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365347 1403704854 /nfs/dbraw/zinc/70/48/54/1403704854.db2.gz DJWSSNISXSUQPT-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@H](C)c2ccc(F)cc2)CC[N@@H+]1C ZINC001689803394 1404144429 /nfs/dbraw/zinc/14/44/29/1404144429.db2.gz HEMFVIZCRRDFPF-AYOQOUSVSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001689810423 1404150688 /nfs/dbraw/zinc/15/06/88/1404150688.db2.gz ABLFXTQQMLGMRQ-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689906772 1404199990 /nfs/dbraw/zinc/19/99/90/1404199990.db2.gz UVMCCRYJLNJJKD-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)c1ccccc1C ZINC001689950127 1404222408 /nfs/dbraw/zinc/22/24/08/1404222408.db2.gz DGFAETUDXBXFOF-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001690294258 1404454669 /nfs/dbraw/zinc/45/46/69/1404454669.db2.gz WZKZBESTJPKXMA-IYARVYRRSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+][C@H]2CCCc3ccccc32)C1 ZINC001690296477 1404456548 /nfs/dbraw/zinc/45/65/48/1404456548.db2.gz VEOIJGSMQOOYIL-BJLQDIEVSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001690370379 1404501248 /nfs/dbraw/zinc/50/12/48/1404501248.db2.gz UINRYZQOPSRAEJ-AHRSYUTCSA-N 2 0 345.531 3.448 10 0 EGAERP CC1(C)CCC(C[N@@H+]2CCC[C@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001690393436 1404534619 /nfs/dbraw/zinc/53/46/19/1404534619.db2.gz CNASOJSYTGRGAO-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001690427892 1404554352 /nfs/dbraw/zinc/55/43/52/1404554352.db2.gz XTXYBPQGTVCWGV-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001690446078 1404569586 /nfs/dbraw/zinc/56/95/86/1404569586.db2.gz JYQONEOKFOCYHJ-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001690475803 1404597747 /nfs/dbraw/zinc/59/77/47/1404597747.db2.gz DSXJBAKVNNHDOA-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001690498792 1404611458 /nfs/dbraw/zinc/61/14/58/1404611458.db2.gz LYUWBNUHBDLESH-HKVCONOFSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@H](C(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1)[NH+](C)C ZINC001690535371 1404624881 /nfs/dbraw/zinc/62/48/81/1404624881.db2.gz IKAOQFYYYIDHCQ-LFUZSFIQSA-N 2 0 343.515 3.057 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001690535182 1404624928 /nfs/dbraw/zinc/62/49/28/1404624928.db2.gz ACYVLHFOLPPLQN-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001690574909 1404637432 /nfs/dbraw/zinc/63/74/32/1404637432.db2.gz KMZGXZBJJPHLRF-JXFKEZNVSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCC1CCCC1 ZINC001690575705 1404637802 /nfs/dbraw/zinc/63/78/02/1404637802.db2.gz YOOOYKJMBRGRFZ-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001690708032 1404694785 /nfs/dbraw/zinc/69/47/85/1404694785.db2.gz IIVULGJHHPZIGZ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690951662 1404862210 /nfs/dbraw/zinc/86/22/10/1404862210.db2.gz VDHGGBRVMOYGGM-IBGZPJMESA-N 2 0 343.515 3.062 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC001690986447 1404901821 /nfs/dbraw/zinc/90/18/21/1404901821.db2.gz STXIYOMLCKBWEM-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](c1cccc2ccccc21)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690996609 1404913455 /nfs/dbraw/zinc/91/34/55/1404913455.db2.gz LRVAZJVMKAFHHN-KRWDZBQOSA-N 2 0 339.483 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC001691150859 1405084824 /nfs/dbraw/zinc/08/48/24/1405084824.db2.gz ADENYBRRSGQKHK-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001691183996 1405121197 /nfs/dbraw/zinc/12/11/97/1405121197.db2.gz WMRBSCBIGCLHPK-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001691183995 1405121643 /nfs/dbraw/zinc/12/16/43/1405121643.db2.gz WMRBSCBIGCLHPK-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001691228407 1405168237 /nfs/dbraw/zinc/16/82/37/1405168237.db2.gz KOIPTFJPAUPEFP-KSZLIROESA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001691244910 1405180287 /nfs/dbraw/zinc/18/02/87/1405180287.db2.gz FZDQNUZWVWAPMY-FRYIKTPZSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691304993 1405199008 /nfs/dbraw/zinc/19/90/08/1405199008.db2.gz IUJCMDKELQCCBV-AZUAARDMSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001691402668 1405240294 /nfs/dbraw/zinc/24/02/94/1405240294.db2.gz PWGPSXPWFCXVEZ-ROUUACIJSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001691402551 1405240563 /nfs/dbraw/zinc/24/05/63/1405240563.db2.gz NBWQABXWVJYYTG-RTBURBONSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001691475362 1405292512 /nfs/dbraw/zinc/29/25/12/1405292512.db2.gz OQWOHLIZFKOCGH-LNMLPRMJSA-N 2 0 335.536 3.185 10 0 EGAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691476819 1405293790 /nfs/dbraw/zinc/29/37/90/1405293790.db2.gz RIJWKQYKKLGODN-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691586277 1405347671 /nfs/dbraw/zinc/34/76/71/1405347671.db2.gz XRYPBVBUZZUIJL-XUVXKRRUSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CCCC1 ZINC001691736025 1405458279 /nfs/dbraw/zinc/45/82/79/1405458279.db2.gz GOZCZJMYOHAHCR-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691760316 1405476361 /nfs/dbraw/zinc/47/63/61/1405476361.db2.gz ROUFKWUVLMVWCI-XRMLWCHGSA-N 2 0 343.943 3.076 10 0 EGAERP Cc1ccc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C(C)C)c(C)c1 ZINC001691762641 1405476965 /nfs/dbraw/zinc/47/69/65/1405476965.db2.gz CLFSCOJOTKGJIQ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001691923814 1405655152 /nfs/dbraw/zinc/65/51/52/1405655152.db2.gz CRMGHJXLKHAKGF-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001691976205 1405691676 /nfs/dbraw/zinc/69/16/76/1405691676.db2.gz PBGGWPNOSGUWHZ-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001691999863 1405716203 /nfs/dbraw/zinc/71/62/03/1405716203.db2.gz PLSUNOHDIFYUTL-DNVCBOLYSA-N 2 0 342.487 3.273 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@@H+](C)C(C)C ZINC001692101668 1405771854 /nfs/dbraw/zinc/77/18/54/1405771854.db2.gz IXNNWHPLDTWHJC-XLIONFOSSA-N 2 0 345.531 3.052 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001692118317 1405780926 /nfs/dbraw/zinc/78/09/26/1405780926.db2.gz MAOBYWMUHRBVMC-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001692169809 1405819224 /nfs/dbraw/zinc/81/92/24/1405819224.db2.gz OFSJETOWEIFWGG-YZGWKJHDSA-N 2 0 349.563 3.409 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001692258006 1405887111 /nfs/dbraw/zinc/88/71/11/1405887111.db2.gz ZRCOAGAYZLTBIE-APWZRJJASA-N 2 0 349.494 3.151 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCCC1 ZINC001692260738 1405888796 /nfs/dbraw/zinc/88/87/96/1405888796.db2.gz PNIONMIESFFWLU-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692334587 1405954450 /nfs/dbraw/zinc/95/44/50/1405954450.db2.gz WMEPMUYRQXCKLX-PHWHVTFISA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698548054 1406144825 /nfs/dbraw/zinc/14/48/25/1406144825.db2.gz PUMYJHFFWXDULK-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601962 1406227376 /nfs/dbraw/zinc/22/73/76/1406227376.db2.gz XQTIMPYXTHEVFK-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698602313 1406228228 /nfs/dbraw/zinc/22/82/28/1406228228.db2.gz XIJHHHQJRMSMDM-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698603969 1406230397 /nfs/dbraw/zinc/23/03/97/1406230397.db2.gz ISDIXZNSKQCALO-MWWKQMNYSA-N 2 0 328.460 3.097 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732048083 1428285438 /nfs/dbraw/zinc/28/54/38/1428285438.db2.gz AHZZACNVAVIIQH-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001732051872 1428293020 /nfs/dbraw/zinc/29/30/20/1428293020.db2.gz AZNSLMWWRCTCET-GFQMDTTRSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001732051875 1428293051 /nfs/dbraw/zinc/29/30/51/1428293051.db2.gz AZNSLMWWRCTCET-RGOVZJGCSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001732085935 1428345208 /nfs/dbraw/zinc/34/52/08/1428345208.db2.gz BZSMMOBZMYVMHQ-YJJPMGAVSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732150174 1428393969 /nfs/dbraw/zinc/39/39/69/1428393969.db2.gz VTWNNRQZOAJWGW-PMACEKPBSA-N 2 0 343.515 3.083 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001732163846 1428406378 /nfs/dbraw/zinc/40/63/78/1428406378.db2.gz WCMHRJFMPDRXCU-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001732173632 1428418206 /nfs/dbraw/zinc/41/82/06/1428418206.db2.gz RNIDUFOVDXGVTD-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC3CCC(C)CC3)CCCC2)CC[N@@H+]1C ZINC001732229542 1428477070 /nfs/dbraw/zinc/47/70/70/1428477070.db2.gz SFNRHMXBZKLWOO-JWHDQAAXSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001732230223 1428477511 /nfs/dbraw/zinc/47/75/11/1428477511.db2.gz CPSYAPNHERTLSC-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001732303589 1428520694 /nfs/dbraw/zinc/52/06/94/1428520694.db2.gz VFPAYTDPPPOSCO-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCc1ccc(C[NH2+]CCF)cc1 ZINC001732316959 1428527846 /nfs/dbraw/zinc/52/78/46/1428527846.db2.gz AOXMUFVJTINSFG-UHFFFAOYSA-N 2 0 349.494 3.015 10 0 EGAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001732396093 1428563675 /nfs/dbraw/zinc/56/36/75/1428563675.db2.gz GRZORSWZCRGAOM-DLBZAZTESA-N 2 0 341.515 3.016 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732423977 1428575416 /nfs/dbraw/zinc/57/54/16/1428575416.db2.gz BSHHWEAZWXQZLX-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001732443593 1428583442 /nfs/dbraw/zinc/58/34/42/1428583442.db2.gz VHIXFVZSMKXXDA-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732459931 1428592188 /nfs/dbraw/zinc/59/21/88/1428592188.db2.gz NCPNCGDIHRNQKR-MSOLQXFVSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001732494318 1428616311 /nfs/dbraw/zinc/61/63/11/1428616311.db2.gz SKEOIVPNWCRRPA-FXAWDEMLSA-N 2 0 345.531 3.235 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001732508509 1428627748 /nfs/dbraw/zinc/62/77/48/1428627748.db2.gz XIQNBDWSNDDOPU-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001732510494 1428629790 /nfs/dbraw/zinc/62/97/90/1428629790.db2.gz JIXMAPDLCYUMRD-LJQANCHMSA-N 2 0 337.552 3.412 10 0 EGAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699105095 1412512353 /nfs/dbraw/zinc/51/23/53/1412512353.db2.gz BPEANODUIUOQJW-AEFFLSMTSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001699147147 1412535479 /nfs/dbraw/zinc/53/54/79/1412535479.db2.gz BMSXJPXPUYUOCD-GOSISDBHSA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188366 1412561268 /nfs/dbraw/zinc/56/12/68/1412561268.db2.gz JIFLHQTYUUYPAH-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699271255 1412607735 /nfs/dbraw/zinc/60/77/35/1412607735.db2.gz NITWVPTVQALVPB-RJCMGOLDSA-N 2 0 343.515 3.192 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001699273615 1412608668 /nfs/dbraw/zinc/60/86/68/1412608668.db2.gz YCRIUTVNDCWDAA-VZSQWMKGSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001699275280 1412610100 /nfs/dbraw/zinc/61/01/00/1412610100.db2.gz NGAVYEDGBSPYBM-OBNUAKFSSA-N 2 0 347.478 3.023 10 0 EGAERP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001699275681 1412610190 /nfs/dbraw/zinc/61/01/90/1412610190.db2.gz NGAVYEDGBSPYBM-WLMAVBAVSA-N 2 0 347.478 3.023 10 0 EGAERP C[NH+](C)CC1(C(=O)NC/C=C/C[NH2+]CC2CCCCC2)CCCCC1 ZINC001699319273 1412636602 /nfs/dbraw/zinc/63/66/02/1412636602.db2.gz NBIPIFDTLJJRCV-MDZDMXLPSA-N 2 0 349.563 3.341 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001699345924 1412654919 /nfs/dbraw/zinc/65/49/19/1412654919.db2.gz RKMHTIJEWUUTFE-UCFODXPJSA-N 2 0 333.520 3.013 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001699409648 1412723155 /nfs/dbraw/zinc/72/31/55/1412723155.db2.gz UFIDDVIOZUETQD-FXAWDEMLSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699421920 1412737093 /nfs/dbraw/zinc/73/70/93/1412737093.db2.gz DCKULLJNZIYDLR-HNAYVOBHSA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCC1 ZINC001699463407 1412822300 /nfs/dbraw/zinc/82/23/00/1412822300.db2.gz HGAHQIRAAPGCDP-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)cc1C ZINC001699474176 1412862559 /nfs/dbraw/zinc/86/25/59/1412862559.db2.gz KFWFIXGJIFDIKO-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001699488973 1412885707 /nfs/dbraw/zinc/88/57/07/1412885707.db2.gz UARYPUQKKHWVBI-WOJBJXKFSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC(C)C ZINC001699611214 1412975486 /nfs/dbraw/zinc/97/54/86/1412975486.db2.gz WDEYZNLFPMIEBN-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001699624553 1412990542 /nfs/dbraw/zinc/99/05/42/1412990542.db2.gz UVXHYPDULKTVOT-WEPWYQGCSA-N 2 0 347.547 3.330 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001699675323 1413068369 /nfs/dbraw/zinc/06/83/69/1413068369.db2.gz HQSXXJNLIPNECC-LJQANCHMSA-N 2 0 343.515 3.252 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001699682609 1413076970 /nfs/dbraw/zinc/07/69/70/1413076970.db2.gz PMMFLCODSGHNJH-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699754517 1413161140 /nfs/dbraw/zinc/16/11/40/1413161140.db2.gz AEWQPBJWNSTYIZ-UEKDZROGSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001699771288 1413177851 /nfs/dbraw/zinc/17/78/51/1413177851.db2.gz VEUYVSOEDCSLIS-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001699804697 1413217589 /nfs/dbraw/zinc/21/75/89/1413217589.db2.gz DEWASMHKROTIRX-IRUYWQDXSA-N 2 0 349.563 3.389 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001699805188 1413218332 /nfs/dbraw/zinc/21/83/32/1413218332.db2.gz NMEISQRBLQDPPJ-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001699847921 1413277219 /nfs/dbraw/zinc/27/72/19/1413277219.db2.gz ZSAXNCHOCKUKJT-HXUWFJFHSA-N 2 0 339.568 3.229 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001699933341 1413375637 /nfs/dbraw/zinc/37/56/37/1413375637.db2.gz KXJDCZQMNYIJHT-VQTJNVASSA-N 2 0 345.531 3.280 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001700064763 1413482116 /nfs/dbraw/zinc/48/21/16/1413482116.db2.gz DYUABQXMPSAKAP-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)CC1 ZINC001700102752 1413520449 /nfs/dbraw/zinc/52/04/49/1413520449.db2.gz AGNVPGPLSCLABE-WGSAOQKQSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001700178428 1413588402 /nfs/dbraw/zinc/58/84/02/1413588402.db2.gz HYCGVXLEFHDEPU-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP CN(CCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700190168 1413617694 /nfs/dbraw/zinc/61/76/94/1413617694.db2.gz KXFNOGQWGNIEFA-QRVBRYPASA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H](c1ccccc1Cl)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001700192721 1413624429 /nfs/dbraw/zinc/62/44/29/1413624429.db2.gz ZVMVTNCOOAGHEK-HNNXBMFYSA-N 2 0 339.911 3.133 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001700221721 1413668989 /nfs/dbraw/zinc/66/89/89/1413668989.db2.gz BEEFXTLGDWUOCM-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001700290793 1413742837 /nfs/dbraw/zinc/74/28/37/1413742837.db2.gz DKOWDMUGGPWGIC-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccsc1 ZINC001700328038 1413799278 /nfs/dbraw/zinc/79/92/78/1413799278.db2.gz FYWANMCHHYDDNK-HNNXBMFYSA-N 2 0 345.512 3.108 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001700524102 1414182627 /nfs/dbraw/zinc/18/26/27/1414182627.db2.gz DHWFDFQZJPIOJS-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](F)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001700527109 1414190549 /nfs/dbraw/zinc/19/05/49/1414190549.db2.gz QURSFHNYLGEWMS-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001700621207 1414290687 /nfs/dbraw/zinc/29/06/87/1414290687.db2.gz NHESHUOZKMKUQP-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001732584816 1428796337 /nfs/dbraw/zinc/79/63/37/1428796337.db2.gz CHVJCWMCPRASSD-APWZRJJASA-N 2 0 349.494 3.151 10 0 EGAERP C[C@H](CCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700671184 1414327251 /nfs/dbraw/zinc/32/72/51/1414327251.db2.gz ILIUCRDZHNZSOQ-HBFSDRIKSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001700709914 1414364979 /nfs/dbraw/zinc/36/49/79/1414364979.db2.gz YVHIZMCDTYOZSQ-MOPGFXCFSA-N 2 0 331.504 3.106 10 0 EGAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001700754745 1414425221 /nfs/dbraw/zinc/42/52/21/1414425221.db2.gz ZDQUOMQBYZUNIZ-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001700760156 1414432639 /nfs/dbraw/zinc/43/26/39/1414432639.db2.gz NRKLTJWRGNASDD-MJGOQNOKSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1F ZINC001700766469 1414441910 /nfs/dbraw/zinc/44/19/10/1414441910.db2.gz GDPCIYKGIAFLBB-APWZRJJASA-N 2 0 349.494 3.025 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767757 1414444176 /nfs/dbraw/zinc/44/41/76/1414444176.db2.gz LBJVTRXIWTXHAS-LPHOPBHVSA-N 2 0 349.494 3.025 10 0 EGAERP C[C@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700822086 1414478631 /nfs/dbraw/zinc/47/86/31/1414478631.db2.gz ISPUVVUXDJZFAW-FUHWJXTLSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001700860195 1414508571 /nfs/dbraw/zinc/50/85/71/1414508571.db2.gz RKWPOGOOVXKPNU-IEBWSBKVSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001700864432 1414515482 /nfs/dbraw/zinc/51/54/82/1414515482.db2.gz RRAFZHAMLLOFET-BJLQDIEVSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001700918127 1414570303 /nfs/dbraw/zinc/57/03/03/1414570303.db2.gz ZNYKNGCPMRRJNW-ZCNNSNEGSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001701007272 1414664013 /nfs/dbraw/zinc/66/40/13/1414664013.db2.gz VHYBPIQEFFYPQI-LXORQPIJSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001701012162 1414673289 /nfs/dbraw/zinc/67/32/89/1414673289.db2.gz KTNRFVORHWMRHS-RXVVDRJESA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001701019962 1414680940 /nfs/dbraw/zinc/68/09/40/1414680940.db2.gz TZXSTTPHAKSDAK-IOJLRTSASA-N 2 0 347.547 3.330 10 0 EGAERP C[C@H]1CCC[C@@H](CC[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001701061616 1414718270 /nfs/dbraw/zinc/71/82/70/1414718270.db2.gz SIWQZADEJRAQRH-OALUTQOASA-N 2 0 347.547 3.047 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732690402 1428911442 /nfs/dbraw/zinc/91/14/42/1428911442.db2.gz OVJSGKQLYFUFDO-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001732747600 1428944274 /nfs/dbraw/zinc/94/42/74/1428944274.db2.gz UHOSKKORPUJJBD-NQIIRXRSSA-N 2 0 349.563 3.317 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001732781323 1428967206 /nfs/dbraw/zinc/96/72/06/1428967206.db2.gz WQSQKVRXPKLAND-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732801008 1428980562 /nfs/dbraw/zinc/98/05/62/1428980562.db2.gz DXWNTVXGNWAVBZ-QZTJIDSGSA-N 2 0 349.544 3.012 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732802767 1428981927 /nfs/dbraw/zinc/98/19/27/1428981927.db2.gz UICQEDPDYKXJGA-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001732811958 1428990231 /nfs/dbraw/zinc/99/02/31/1428990231.db2.gz HJSRSFRKZJRBNA-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732969757 1429095414 /nfs/dbraw/zinc/09/54/14/1429095414.db2.gz XYIHGIPKILHXLX-VQIMIIECSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733001604 1429122801 /nfs/dbraw/zinc/12/28/01/1429122801.db2.gz IXXVHDKSKLZIAK-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC(C)C)C1 ZINC001707051758 1417164701 /nfs/dbraw/zinc/16/47/01/1417164701.db2.gz SSWWKYZEEZPUTA-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001707057666 1417173188 /nfs/dbraw/zinc/17/31/88/1417173188.db2.gz ARHYHBJPGXWBGT-KSZLIROESA-N 2 0 337.552 3.170 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001707121516 1417209516 /nfs/dbraw/zinc/20/95/16/1417209516.db2.gz CYAYNEKSLJZUOT-OTWHNJEPSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+]1CCCC1 ZINC001707186368 1417235680 /nfs/dbraw/zinc/23/56/80/1417235680.db2.gz NJEXZMXFOCYRQX-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001707193757 1417239200 /nfs/dbraw/zinc/23/92/00/1417239200.db2.gz SKRLVYMUGZHSCR-IVCWSTDESA-N 2 0 347.547 3.044 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@H](C)CC(C)C ZINC001707198056 1417240366 /nfs/dbraw/zinc/24/03/66/1417240366.db2.gz OQCQWALNGXSLGC-CEXWTWQISA-N 2 0 349.563 3.266 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCn2ccnc2)CC(C)(C)C1 ZINC001707281658 1417291616 /nfs/dbraw/zinc/29/16/16/1417291616.db2.gz JTPODGPAUVXRSR-SFHVURJKSA-N 2 0 348.535 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001707282892 1417294020 /nfs/dbraw/zinc/29/40/20/1417294020.db2.gz ZFQZYYVICURCBL-OXUXSNCKSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707438469 1417342783 /nfs/dbraw/zinc/34/27/83/1417342783.db2.gz IXQHODKTQKJRDJ-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001707470729 1417371837 /nfs/dbraw/zinc/37/18/37/1417371837.db2.gz AKYRSNXBGDCPFU-HKUYNNGSSA-N 2 0 349.494 3.057 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001713056999 1417611391 /nfs/dbraw/zinc/61/13/91/1417611391.db2.gz BGHKECRPHSDRHJ-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713094495 1417642667 /nfs/dbraw/zinc/64/26/67/1417642667.db2.gz HETYCJVQFLNHRG-YSNLUETFSA-N 2 0 347.547 3.044 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001733056706 1429200721 /nfs/dbraw/zinc/20/07/21/1429200721.db2.gz UOICZQLCPZIRAZ-MSOLQXFVSA-N 2 0 345.531 3.143 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001733056707 1429201076 /nfs/dbraw/zinc/20/10/76/1429201076.db2.gz UOICZQLCPZIRAZ-QZTJIDSGSA-N 2 0 345.531 3.143 10 0 EGAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001713194263 1417766328 /nfs/dbraw/zinc/76/63/28/1417766328.db2.gz BUQLOODNTMYMOP-KDURUIRLSA-N 2 0 347.547 3.070 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713195665 1417767366 /nfs/dbraw/zinc/76/73/66/1417767366.db2.gz YBGPFJLQZFICCQ-YKZUCCNHSA-N 2 0 340.471 3.240 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001713208314 1417778606 /nfs/dbraw/zinc/77/86/06/1417778606.db2.gz ISRGHBSLZXJMHF-KDURUIRLSA-N 2 0 331.504 3.035 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCCC[NH+]1CC1CCC1 ZINC001713252522 1417845622 /nfs/dbraw/zinc/84/56/22/1417845622.db2.gz AXMCUIUMCVNSGQ-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001713269049 1417878246 /nfs/dbraw/zinc/87/82/46/1417878246.db2.gz RGTACWDOVNSDGH-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001713270791 1417882407 /nfs/dbraw/zinc/88/24/07/1417882407.db2.gz VBORWUQAGCUOTA-ZWKOTPCHSA-N 2 0 349.544 3.045 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713275292 1417893680 /nfs/dbraw/zinc/89/36/80/1417893680.db2.gz GVTVQSFOLCZYDZ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001713291612 1417919027 /nfs/dbraw/zinc/91/90/27/1417919027.db2.gz RLSYGHQKENAORX-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713375957 1417986140 /nfs/dbraw/zinc/98/61/40/1417986140.db2.gz YGUDWIUFGLJMJF-ROUUACIJSA-N 2 0 335.536 3.212 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001713407346 1418030340 /nfs/dbraw/zinc/03/03/40/1418030340.db2.gz ATQNWSQDVOLBSF-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1c(C(=O)NC[C@@H]2CC[N@@H+](CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001713531476 1418279224 /nfs/dbraw/zinc/27/92/24/1418279224.db2.gz ASEYIGCZNITZEZ-KRWDZBQOSA-N 2 0 342.487 3.131 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713531305 1418279499 /nfs/dbraw/zinc/27/94/99/1418279499.db2.gz XKXQVUFJSSYRHJ-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001713543423 1418306757 /nfs/dbraw/zinc/30/67/57/1418306757.db2.gz LXLODFSQQVYMLM-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001713600150 1418389022 /nfs/dbraw/zinc/38/90/22/1418389022.db2.gz NHGWBMPKIBGAIK-GOSISDBHSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001713692478 1418446686 /nfs/dbraw/zinc/44/66/86/1418446686.db2.gz JOCOFDRPNXEFNR-SFHVURJKSA-N 2 0 325.541 3.122 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001713716357 1418481961 /nfs/dbraw/zinc/48/19/61/1418481961.db2.gz OHLXQJKUEJOUFI-NZSAHSFTSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001733145241 1429261974 /nfs/dbraw/zinc/26/19/74/1429261974.db2.gz OHVJTBVAYRXVSO-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001713730158 1418515907 /nfs/dbraw/zinc/51/59/07/1418515907.db2.gz KGEHXWWQBBGJPW-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001713749864 1418550306 /nfs/dbraw/zinc/55/03/06/1418550306.db2.gz NLLAHZVIQNLZTI-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1ccccc1)C1CC1 ZINC001713775417 1418591761 /nfs/dbraw/zinc/59/17/61/1418591761.db2.gz INDMWROXYSQMSL-ROUUACIJSA-N 2 0 343.515 3.030 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713965023 1418744688 /nfs/dbraw/zinc/74/46/88/1418744688.db2.gz UQXIDHHQOCKWLU-MUGJNUQGSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713974146 1418753359 /nfs/dbraw/zinc/75/33/59/1418753359.db2.gz ATQHXZPYMKVGHD-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001713975748 1418756102 /nfs/dbraw/zinc/75/61/02/1418756102.db2.gz JTMYHUUTPUPGNZ-IHWFROFDSA-N 2 0 347.547 3.164 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713981378 1418761797 /nfs/dbraw/zinc/76/17/97/1418761797.db2.gz HHWNVKVSKPCWES-MGBKSAOESA-N 2 0 335.536 3.186 10 0 EGAERP CCc1nccn1[C@@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001714000333 1418779680 /nfs/dbraw/zinc/77/96/80/1418779680.db2.gz AYGQAXKDKVPHBM-WMZOPIPTSA-N 2 0 348.535 3.366 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001714022452 1418806057 /nfs/dbraw/zinc/80/60/57/1418806057.db2.gz RUDYDCYMIGWSPI-IJXRJRJASA-N 2 0 343.515 3.105 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001714036308 1418825276 /nfs/dbraw/zinc/82/52/76/1418825276.db2.gz RXIGXTCKGZQHFY-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001714042391 1418833123 /nfs/dbraw/zinc/83/31/23/1418833123.db2.gz CYKQDGBTRJFREZ-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714116512 1418919416 /nfs/dbraw/zinc/91/94/16/1418919416.db2.gz NMYFUQOXCDDBNC-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCC[C@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001714117885 1418921842 /nfs/dbraw/zinc/92/18/42/1418921842.db2.gz FQZHOORIILWZSU-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001714135625 1418938698 /nfs/dbraw/zinc/93/86/98/1418938698.db2.gz VTARKDKERKAHSK-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCC2=CCCCC2)CCCC1 ZINC001714139223 1418941982 /nfs/dbraw/zinc/94/19/82/1418941982.db2.gz KZAKZWMBXQCBEX-IBGZPJMESA-N 2 0 347.547 3.380 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCC3CCCCC3)C2)C1 ZINC001714239000 1419028601 /nfs/dbraw/zinc/02/86/01/1419028601.db2.gz KBHNFFQDLJXYAE-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001714302696 1419082824 /nfs/dbraw/zinc/08/28/24/1419082824.db2.gz JCUALGJRCXWVEY-IYARVYRRSA-N 2 0 337.552 3.458 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2cccc(F)c2)CC1 ZINC001714313979 1419095183 /nfs/dbraw/zinc/09/51/83/1419095183.db2.gz ZOOVSLOPODIUPQ-WGSAOQKQSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001714321112 1419099340 /nfs/dbraw/zinc/09/93/40/1419099340.db2.gz NTQZEWBNHKAHIO-UWVAXJGDSA-N 2 0 345.531 3.169 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC001714323556 1419102153 /nfs/dbraw/zinc/10/21/53/1419102153.db2.gz LVCJXVYQBWYVFJ-LUUVYUSYSA-N 2 0 349.906 3.018 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001714330232 1419109767 /nfs/dbraw/zinc/10/97/67/1419109767.db2.gz GKDCHESKBQKYCH-HXUWFJFHSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001714364582 1419124769 /nfs/dbraw/zinc/12/47/69/1419124769.db2.gz WRTREOPBIYWHEY-UXHICEINSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001714368072 1419127556 /nfs/dbraw/zinc/12/75/56/1419127556.db2.gz WNPUSUZPAFTYCF-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001714380731 1419133936 /nfs/dbraw/zinc/13/39/36/1419133936.db2.gz VJBIMVPTFVEMOH-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714440387 1419172499 /nfs/dbraw/zinc/17/24/99/1419172499.db2.gz KILGVKOZNSPHJE-MAUKXSAKSA-N 2 0 342.487 3.225 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001714455160 1419187863 /nfs/dbraw/zinc/18/78/63/1419187863.db2.gz VJMGHRMNJMPYFC-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001714472760 1419197718 /nfs/dbraw/zinc/19/77/18/1419197718.db2.gz VPKIITPAXATDHK-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001714509704 1419236960 /nfs/dbraw/zinc/23/69/60/1419236960.db2.gz NKTBHGCVTNAROA-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714632206 1419403608 /nfs/dbraw/zinc/40/36/08/1419403608.db2.gz GNCCHRJHSRIZLP-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714636979 1419408310 /nfs/dbraw/zinc/40/83/10/1419408310.db2.gz KOZJIIDILNCTGG-BDUNBXCCSA-N 2 0 340.471 3.051 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714651532 1419429058 /nfs/dbraw/zinc/42/90/58/1419429058.db2.gz XAKNHNNURDINEK-DLBZAZTESA-N 2 0 349.494 3.057 10 0 EGAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001714761981 1419497465 /nfs/dbraw/zinc/49/74/65/1419497465.db2.gz ALXLFTOBPJIKOZ-SFHVURJKSA-N 2 0 345.531 3.062 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)C)c2ccccc2)CC[N@@H+]1C ZINC001714835103 1419546722 /nfs/dbraw/zinc/54/67/22/1419546722.db2.gz GPHMTKGOXISGJL-XUVXKRRUSA-N 2 0 345.531 3.210 10 0 EGAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714856734 1419574104 /nfs/dbraw/zinc/57/41/04/1419574104.db2.gz SJDDRMYJOVGLIT-PMACEKPBSA-N 2 0 349.563 3.077 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714856670 1419574391 /nfs/dbraw/zinc/57/43/91/1419574391.db2.gz RWRRPJCYSDNRJI-RBUKOAKNSA-N 2 0 335.536 3.138 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714857532 1419575397 /nfs/dbraw/zinc/57/53/97/1419575397.db2.gz XITPSKUEQCHWCN-GUDVDZBRSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714894230 1419633898 /nfs/dbraw/zinc/63/38/98/1419633898.db2.gz DOWJQYPVZXJWPS-ICSRJNTNSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714910175 1419655982 /nfs/dbraw/zinc/65/59/82/1419655982.db2.gz VBIILVBEQCYIKW-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714910811 1419657147 /nfs/dbraw/zinc/65/71/47/1419657147.db2.gz PERWINFVHPCMFU-YJJPMGAVSA-N 2 0 349.563 3.245 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CCCCC1 ZINC001714977987 1419712572 /nfs/dbraw/zinc/71/25/72/1419712572.db2.gz PISJRQXNPXGFLJ-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226542 1429352878 /nfs/dbraw/zinc/35/28/78/1429352878.db2.gz OLZZQGLILBSSSK-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001715077856 1419812923 /nfs/dbraw/zinc/81/29/23/1419812923.db2.gz WNAKLHUMBFITBF-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1c(C(=O)NC2(C[NH2+]CC[C@H](C)F)CCCC2)ccc2c[nH+]cn21 ZINC001715095114 1419835688 /nfs/dbraw/zinc/83/56/88/1419835688.db2.gz TVXIPTIPNKDQDG-AWEZNQCLSA-N 2 0 346.450 3.023 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001715099279 1419840315 /nfs/dbraw/zinc/84/03/15/1419840315.db2.gz PIPQWOOABKTXOH-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001715099282 1419840394 /nfs/dbraw/zinc/84/03/94/1419840394.db2.gz PIPQWOOABKTXOH-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001715141422 1419888849 /nfs/dbraw/zinc/88/88/49/1419888849.db2.gz GQVGUMVDBSVNKJ-OAHLLOKOSA-N 2 0 337.533 3.052 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001715142572 1419889558 /nfs/dbraw/zinc/88/95/58/1419889558.db2.gz JPBRGKXDHYOXCU-GHTZIAJQSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715151802 1419896166 /nfs/dbraw/zinc/89/61/66/1419896166.db2.gz DVWFLZQRCOLSNK-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001715210636 1419943540 /nfs/dbraw/zinc/94/35/40/1419943540.db2.gz SGDINAOYMZEXPZ-DHJFXDNESA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CCCCCC1 ZINC001715236381 1419967515 /nfs/dbraw/zinc/96/75/15/1419967515.db2.gz PRXVOFTUGHUVPI-MJGOQNOKSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001715237579 1419968051 /nfs/dbraw/zinc/96/80/51/1419968051.db2.gz WOZPPQXPESRHPM-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)CC2 ZINC001715313738 1420023296 /nfs/dbraw/zinc/02/32/96/1420023296.db2.gz JDSXCAUOUYBJMQ-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715364660 1420061939 /nfs/dbraw/zinc/06/19/39/1420061939.db2.gz DAEIJDHHKWQDLW-SJORKVTESA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1)c1ccccc1 ZINC001733248878 1429395895 /nfs/dbraw/zinc/39/58/95/1429395895.db2.gz GKSRATOHZCHGKK-GOSISDBHSA-N 2 0 341.499 3.005 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001715425612 1420116109 /nfs/dbraw/zinc/11/61/09/1420116109.db2.gz ZPTNKEKWKGSZPN-WFRZBGSESA-N 2 0 335.536 3.045 10 0 EGAERP CC1CCC(C[NH2+]CC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001715447334 1420131304 /nfs/dbraw/zinc/13/13/04/1420131304.db2.gz GNRZOBLEHWQDDG-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715458803 1420139215 /nfs/dbraw/zinc/13/92/15/1420139215.db2.gz CZYYVRSNBLTCLP-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001715489793 1420171106 /nfs/dbraw/zinc/17/11/06/1420171106.db2.gz HPAGZVKOILLHLB-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001715522917 1420210358 /nfs/dbraw/zinc/21/03/58/1420210358.db2.gz QAPVZUVPFCKEJV-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001715531936 1420223208 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BHIHXWGWFHEZCX-IEBWSBKVSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001733272171 1429434630 /nfs/dbraw/zinc/43/46/30/1429434630.db2.gz IOMCWBUDAWCKQT-FUVPAVLMSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001716712342 1420865104 /nfs/dbraw/zinc/86/51/04/1420865104.db2.gz HJNRQELWDDLQDJ-AQNXPRMDSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001716714913 1420870255 /nfs/dbraw/zinc/87/02/55/1420870255.db2.gz ZRHUGMMGVQVKJR-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001716726485 1420885443 /nfs/dbraw/zinc/88/54/43/1420885443.db2.gz MLGXJABXOKSANV-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001716795609 1420928649 /nfs/dbraw/zinc/92/86/49/1420928649.db2.gz XNXSUTTWMFRTGG-KBSZCIAZSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001716846987 1420975385 /nfs/dbraw/zinc/97/53/85/1420975385.db2.gz YFWCXSVASQNQJF-FQEVSTJZSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@]2(C)CC[NH+](CCCC(C)C)C2)C1 ZINC001716848050 1420976171 /nfs/dbraw/zinc/97/61/71/1420976171.db2.gz WKOXEQLGFYBWQP-ICSRJNTNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001716864093 1420993590 /nfs/dbraw/zinc/99/35/90/1420993590.db2.gz ACDLWNXYSPKXOW-XZZFYQAUSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001716901828 1421034455 /nfs/dbraw/zinc/03/44/55/1421034455.db2.gz QIDMXNNLKQXLPB-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)CC[N@@H+]1C ZINC001717001448 1421071403 /nfs/dbraw/zinc/07/14/03/1421071403.db2.gz ARTJHIRBMXCKAI-LWYYNNOASA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001717083866 1421103372 /nfs/dbraw/zinc/10/33/72/1421103372.db2.gz DCTZEGSIEJKEHL-MISYRCLQSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC001717117075 1421121150 /nfs/dbraw/zinc/12/11/50/1421121150.db2.gz ZUXDIRUALPICFD-LPHOPBHVSA-N 2 0 349.494 3.186 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001717213007 1421188219 /nfs/dbraw/zinc/18/82/19/1421188219.db2.gz VXISAKZEVICYOM-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC(C)C)CC1 ZINC001717215289 1421192708 /nfs/dbraw/zinc/19/27/08/1421192708.db2.gz FDVBEPVFVHCLSW-BGYRXZFFSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1sccc1Cl ZINC001717215400 1421193310 /nfs/dbraw/zinc/19/33/10/1421193310.db2.gz IBUVLSMUGPTFAN-UHFFFAOYSA-N 2 0 345.940 3.022 10 0 EGAERP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717235890 1421204282 /nfs/dbraw/zinc/20/42/82/1421204282.db2.gz CBNSAVGMGBSPPX-ACBHZAAOSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001717278108 1421231329 /nfs/dbraw/zinc/23/13/29/1421231329.db2.gz GDACOGYNAVZZPH-YZPMEYCISA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001717309076 1421251317 /nfs/dbraw/zinc/25/13/17/1421251317.db2.gz DWRLLVMERFRQPD-FORFBYLSSA-N 2 0 349.563 3.290 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001717394758 1421330495 /nfs/dbraw/zinc/33/04/95/1421330495.db2.gz SPCMHEPIUXOELW-SOAGJPPSSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717452412 1421381989 /nfs/dbraw/zinc/38/19/89/1421381989.db2.gz CMWZKKYORHXNTF-MRXNPFEDSA-N 2 0 343.531 3.073 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC1CCC(C)CC1 ZINC001717476975 1421411239 /nfs/dbraw/zinc/41/12/39/1421411239.db2.gz VKDXWVXTLQOZHU-JLAWEPINSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001717500847 1421444410 /nfs/dbraw/zinc/44/44/10/1421444410.db2.gz YRFCIROKVIGYMU-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001717539461 1421478683 /nfs/dbraw/zinc/47/86/83/1421478683.db2.gz WCJOWLYBJVKTQQ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC1CC(C[N@@H+]2CCCCC[C@@H]2CNC(=O)CCCC[NH+](C)C)C1 ZINC001717540054 1421479803 /nfs/dbraw/zinc/47/98/03/1421479803.db2.gz IIFSRIJPDKHEAN-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001717540569 1421481326 /nfs/dbraw/zinc/48/13/26/1421481326.db2.gz QLWXDBJOFPSAHR-ICSRJNTNSA-N 2 0 335.536 3.023 10 0 EGAERP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001717542892 1421483419 /nfs/dbraw/zinc/48/34/19/1421483419.db2.gz NUZBJYLVXMXAFQ-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2cccc(C)c2)CC1(C)C ZINC001717587839 1421516553 /nfs/dbraw/zinc/51/65/53/1421516553.db2.gz MXBVVVKKIMGTGJ-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CCCC1CCCC1)C2 ZINC001717630235 1421539542 /nfs/dbraw/zinc/53/95/42/1421539542.db2.gz JHPREKFPESUBSO-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001717679031 1421563014 /nfs/dbraw/zinc/56/30/14/1421563014.db2.gz PRGBYFQDMXXBPV-SFHVURJKSA-N 2 0 345.531 3.244 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717825255 1421640015 /nfs/dbraw/zinc/64/00/15/1421640015.db2.gz DFYAHHIDOOUYLC-LOYZYROESA-N 2 0 335.536 3.042 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001717856272 1421668653 /nfs/dbraw/zinc/66/86/53/1421668653.db2.gz QTPVXIMQBGMLME-QZTJIDSGSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001717875672 1421682491 /nfs/dbraw/zinc/68/24/91/1421682491.db2.gz TXMPGCNNWSUULF-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881865 1421685898 /nfs/dbraw/zinc/68/58/98/1421685898.db2.gz VXGFBADSRATXPJ-RBUKOAKNSA-N 2 0 349.563 3.339 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001717888144 1421689093 /nfs/dbraw/zinc/68/90/93/1421689093.db2.gz YVGFGAWPMCGZMG-LPHOPBHVSA-N 2 0 331.504 3.036 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001717905277 1421701042 /nfs/dbraw/zinc/70/10/42/1421701042.db2.gz OTYWDAFUEUVJSR-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001717905275 1421701130 /nfs/dbraw/zinc/70/11/30/1421701130.db2.gz OTYWDAFUEUVJSR-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001717952436 1421723829 /nfs/dbraw/zinc/72/38/29/1421723829.db2.gz HXDHJPMLTPKMPT-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C)C1 ZINC001717964656 1421735920 /nfs/dbraw/zinc/73/59/20/1421735920.db2.gz AYZPYRWLYSBYIH-ROUUACIJSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001717970444 1421742519 /nfs/dbraw/zinc/74/25/19/1421742519.db2.gz PTGASDIXJVVNJC-IBGZPJMESA-N 2 0 349.563 3.195 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001717970783 1421742958 /nfs/dbraw/zinc/74/29/58/1421742958.db2.gz BMAAYMOEMYXBSD-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001717984590 1421757109 /nfs/dbraw/zinc/75/71/09/1421757109.db2.gz FAONZVHAYJGQFQ-UEKDZROGSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001733345660 1429527409 /nfs/dbraw/zinc/52/74/09/1429527409.db2.gz QEIJPGNDQGWLDV-IBGZPJMESA-N 2 0 345.531 3.031 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001733348112 1429529369 /nfs/dbraw/zinc/52/93/69/1429529369.db2.gz YFEBXYSTXTWNNJ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733361942 1429546496 /nfs/dbraw/zinc/54/64/96/1429546496.db2.gz MBPPOBPQFQCSDS-SFHVURJKSA-N 2 0 345.531 3.367 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CCC(C)(NC(=O)C[NH+]3CCCC3)CC2)c1 ZINC001733362525 1429547323 /nfs/dbraw/zinc/54/73/23/1429547323.db2.gz VJJSXXPDOAPUEM-SFHVURJKSA-N 2 0 343.515 3.123 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001733419165 1429624112 /nfs/dbraw/zinc/62/41/12/1429624112.db2.gz TYLGGYGPLGFUOS-WIYYLYMNSA-N 2 0 345.531 3.287 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001733457439 1429676940 /nfs/dbraw/zinc/67/69/40/1429676940.db2.gz DKCLHMKQWNYWSA-WBWXQYNJSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC(C)C)C1 ZINC001733457698 1429677998 /nfs/dbraw/zinc/67/79/98/1429677998.db2.gz AOQLUQOKIOWCBY-AZUAARDMSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001733459040 1429680197 /nfs/dbraw/zinc/68/01/97/1429680197.db2.gz LAEDTEMYPMXKRF-VSQWLSRBSA-N 2 0 337.552 3.147 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1cc2ccccc2s1 ZINC001722916984 1424255288 /nfs/dbraw/zinc/25/52/88/1424255288.db2.gz QJEXSPPXBUSELS-OAHLLOKOSA-N 2 0 347.528 3.178 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001723024060 1424289500 /nfs/dbraw/zinc/28/95/00/1424289500.db2.gz XHOAAPVLPGCWHV-QFBILLFUSA-N 2 0 349.494 3.198 10 0 EGAERP CCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723606320 1424485485 /nfs/dbraw/zinc/48/54/85/1424485485.db2.gz DVPFGVJTFAYALJ-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001723906124 1424602805 /nfs/dbraw/zinc/60/28/05/1424602805.db2.gz LAJPVOGWNZVTOA-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001723906121 1424602944 /nfs/dbraw/zinc/60/29/44/1424602944.db2.gz LAJPVOGWNZVTOA-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C)[NH+](CC)CC ZINC001723969594 1424614469 /nfs/dbraw/zinc/61/44/69/1424614469.db2.gz DWZBNIBHCCTSJD-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724093572 1424657534 /nfs/dbraw/zinc/65/75/34/1424657534.db2.gz CLKYVNADECXAGN-VQTJNVASSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724213621 1424735944 /nfs/dbraw/zinc/73/59/44/1424735944.db2.gz HWXYXISJAFMEAV-QRMWTIMZSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001724646364 1425002382 /nfs/dbraw/zinc/00/23/82/1425002382.db2.gz ALSLYJVZLCDRLF-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001724712006 1425067663 /nfs/dbraw/zinc/06/76/63/1425067663.db2.gz PWIDRWLVWUKDEX-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001724758926 1425129552 /nfs/dbraw/zinc/12/95/52/1425129552.db2.gz FESIKTYCXCBFBK-MOPGFXCFSA-N 2 0 347.547 3.118 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001724782418 1425147882 /nfs/dbraw/zinc/14/78/82/1425147882.db2.gz BYOZOYSXIIWMIS-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724884733 1425267444 /nfs/dbraw/zinc/26/74/44/1425267444.db2.gz NNSYBANTSJIKEZ-SJLPKXTDSA-N 2 0 349.563 3.124 10 0 EGAERP CCC1([NH2+]CC2CCCC2)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001724891318 1425278868 /nfs/dbraw/zinc/27/88/68/1425278868.db2.gz QAJLCWGJFCFJQO-HDICACEKSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001724942392 1425326549 /nfs/dbraw/zinc/32/65/49/1425326549.db2.gz CULPHGKELVYJOV-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC(C)([NH2+]CCC3=CCCCC3)CC2)CC[N@@H+]1C ZINC001724954981 1425340562 /nfs/dbraw/zinc/34/05/62/1425340562.db2.gz HCQNDPFOHKKQAN-IEBWSBKVSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001724970022 1425368838 /nfs/dbraw/zinc/36/88/38/1425368838.db2.gz KIIXUMBGWXCFDW-DKFQHHCZSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC3=CCCCC3)CC2(C)C)CC1 ZINC001724970815 1425370871 /nfs/dbraw/zinc/37/08/71/1425370871.db2.gz KDZHQZYFLMDHAZ-GOSISDBHSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001724991746 1425394886 /nfs/dbraw/zinc/39/48/86/1425394886.db2.gz MBGMALNSNPDJDE-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725045511 1425475584 /nfs/dbraw/zinc/47/55/84/1425475584.db2.gz ZFOKRJIBHVVDOM-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)[NH+](CC)CC ZINC001725048958 1425479842 /nfs/dbraw/zinc/47/98/42/1425479842.db2.gz QERNIAVLYJLCLG-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001725055062 1425490298 /nfs/dbraw/zinc/49/02/98/1425490298.db2.gz FILTXWZNCSZKAZ-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCC1 ZINC001725060464 1425500815 /nfs/dbraw/zinc/50/08/15/1425500815.db2.gz URNBMDRLCQMCKN-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)(C)C ZINC001725061907 1425503049 /nfs/dbraw/zinc/50/30/49/1425503049.db2.gz ZQWPHELSXBIIOF-KRWDZBQOSA-N 2 0 325.541 3.076 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001725094461 1425537465 /nfs/dbraw/zinc/53/74/65/1425537465.db2.gz PDEFTGXFWRJKRE-JKSUJKDBSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001725111588 1425568013 /nfs/dbraw/zinc/56/80/13/1425568013.db2.gz KGXYAEGMXVRPLL-CVEARBPZSA-N 2 0 325.541 3.027 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001725118291 1425578890 /nfs/dbraw/zinc/57/88/90/1425578890.db2.gz OQSLAXPIQFROAQ-OALUTQOASA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001725132973 1425603680 /nfs/dbraw/zinc/60/36/80/1425603680.db2.gz XMGHAXUVQYVEJP-DLBZAZTESA-N 2 0 339.483 3.045 10 0 EGAERP Cc1cccc(C[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCCC2)c1 ZINC001725225960 1425793756 /nfs/dbraw/zinc/79/37/56/1425793756.db2.gz GLPIEUTYRDSRSG-UHFFFAOYSA-N 2 0 345.531 3.246 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001725242131 1425850318 /nfs/dbraw/zinc/85/03/18/1425850318.db2.gz SRTFKTYFDOJGPK-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001725263650 1425895135 /nfs/dbraw/zinc/89/51/35/1425895135.db2.gz ILBCEGZCIKLISA-ZWKOTPCHSA-N 2 0 347.547 3.188 10 0 EGAERP CC1(C)C[N@H+](CCCC2CCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001725297613 1425946891 /nfs/dbraw/zinc/94/68/91/1425946891.db2.gz LDBBFTLTHDVVRT-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001725344200 1425995217 /nfs/dbraw/zinc/99/52/17/1425995217.db2.gz PDYQAMUCZFQAMO-RTBURBONSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001725506280 1426189112 /nfs/dbraw/zinc/18/91/12/1426189112.db2.gz TUUUMMWEQCMIJW-LNLFQRSKSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1c(C(=O)N2C[C@H]([NH2+]CCCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001725585320 1426241398 /nfs/dbraw/zinc/24/13/98/1426241398.db2.gz DPOVXXPJZVWVIP-NVXWUHKLSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001725590158 1426245797 /nfs/dbraw/zinc/24/57/97/1426245797.db2.gz LPMGIYAIFNORNO-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001725660162 1426342967 /nfs/dbraw/zinc/34/29/67/1426342967.db2.gz FCTVISRJMGQLBX-JNVNVXKGSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1)[NH+](CC)CC ZINC001725786694 1426472768 /nfs/dbraw/zinc/47/27/68/1426472768.db2.gz NTCIKFOQZVUWKR-FAFZWHIHSA-N 2 0 349.494 3.025 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001725791852 1426477236 /nfs/dbraw/zinc/47/72/36/1426477236.db2.gz GFEDFKBCYGGQSM-VOFKWLDRSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001731294874 1427236691 /nfs/dbraw/zinc/23/66/91/1427236691.db2.gz CIXQVRGAISKHQP-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC001731313175 1427254095 /nfs/dbraw/zinc/25/40/95/1427254095.db2.gz BPKUMTKWLZADDU-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccc(C)cc1 ZINC001731324054 1427264136 /nfs/dbraw/zinc/26/41/36/1427264136.db2.gz OXFMWMBZEZTDEB-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001731352027 1427291686 /nfs/dbraw/zinc/29/16/86/1427291686.db2.gz JACFOKHYHQUASJ-QRMWTIMZSA-N 2 0 349.563 3.386 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001731355404 1427296208 /nfs/dbraw/zinc/29/62/08/1427296208.db2.gz KNHGTPIUQSTNCI-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]cn2)CC1 ZINC001731376090 1427309424 /nfs/dbraw/zinc/30/94/24/1427309424.db2.gz ATZSCMXTMIGFEH-WRFKIARRSA-N 2 0 344.503 3.059 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CC[N@@H+]1C ZINC001731391339 1427344473 /nfs/dbraw/zinc/34/44/73/1427344473.db2.gz GCTLIVZOALORFS-ATZDWAIDSA-N 2 0 349.563 3.027 10 0 EGAERP CC(C)C[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731423808 1427403541 /nfs/dbraw/zinc/40/35/41/1427403541.db2.gz CCCOXMXQOQMWSE-RBUKOAKNSA-N 2 0 339.568 3.179 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001731502414 1427483515 /nfs/dbraw/zinc/48/35/15/1427483515.db2.gz HFXKHKLQWVGRCO-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001731502413 1427483992 /nfs/dbraw/zinc/48/39/92/1427483992.db2.gz HFXKHKLQWVGRCO-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560008 1427593660 /nfs/dbraw/zinc/59/36/60/1427593660.db2.gz UKGHBBLIQBGVRU-XHHZUUQWSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCCC1 ZINC001731601095 1427644494 /nfs/dbraw/zinc/64/44/94/1427644494.db2.gz MYWJFSYZZQPTOZ-MRXNPFEDSA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CCCCC1 ZINC001731697154 1427747446 /nfs/dbraw/zinc/74/74/46/1427747446.db2.gz GCCFRYXTKUKOCT-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CCCCC1 ZINC001731697152 1427747634 /nfs/dbraw/zinc/74/76/34/1427747634.db2.gz GCCFRYXTKUKOCT-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001731710950 1427767753 /nfs/dbraw/zinc/76/77/53/1427767753.db2.gz MHHGMHNRXUGVLR-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731721288 1427791691 /nfs/dbraw/zinc/79/16/91/1427791691.db2.gz XFBWONJIGHBCPH-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1Cc1cccc(F)c1 ZINC001731761757 1427866244 /nfs/dbraw/zinc/86/62/44/1427866244.db2.gz YALKQKPTCRDGOA-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001731882630 1428154289 /nfs/dbraw/zinc/15/42/89/1428154289.db2.gz PTZOEUWIKCVWIL-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]Cc2ccccc2C(C)C)CC[N@@H+]1C ZINC001731914194 1428168925 /nfs/dbraw/zinc/16/89/25/1428168925.db2.gz YIRRPGYDUBHARS-VQTJNVASSA-N 2 0 345.531 3.088 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731962583 1428185375 /nfs/dbraw/zinc/18/53/75/1428185375.db2.gz XLZDDIJEOJMZSA-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731987922 1428198574 /nfs/dbraw/zinc/19/85/74/1428198574.db2.gz OQVKDVPAEDVNSO-QGZVFWFLSA-N 2 0 347.547 3.433 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001733599158 1429798846 /nfs/dbraw/zinc/79/88/46/1429798846.db2.gz MXJBZDIZZRMMIY-MSOLQXFVSA-N 2 0 335.536 3.116 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001733759957 1429974029 /nfs/dbraw/zinc/97/40/29/1429974029.db2.gz IQKQPHKYHRXYQJ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001733771682 1430005230 /nfs/dbraw/zinc/00/52/30/1430005230.db2.gz YBXUURVDHYCOJV-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733803458 1430071540 /nfs/dbraw/zinc/07/15/40/1430071540.db2.gz XYYKRLLIOPGVPW-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733863889 1437692269 /nfs/dbraw/zinc/69/22/69/1437692269.db2.gz GCJNTNQIOQTUII-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733870425 1437696734 /nfs/dbraw/zinc/69/67/34/1437696734.db2.gz YOJMCAUUBPNLCL-UHFFFAOYSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001733898888 1437716834 /nfs/dbraw/zinc/71/68/34/1437716834.db2.gz GAAFKZGFOHFAEG-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001733938227 1437753367 /nfs/dbraw/zinc/75/33/67/1437753367.db2.gz GWPUJCNKIVRARS-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1=CCCCC1 ZINC001734040463 1437829026 /nfs/dbraw/zinc/82/90/26/1437829026.db2.gz GOSOFPBFFQPPFF-YLJYHZDGSA-N 2 0 347.547 3.330 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734042718 1437830847 /nfs/dbraw/zinc/83/08/47/1437830847.db2.gz BQTPWWGRYZCJKP-HPFMTEOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)cc1 ZINC001734150028 1437917360 /nfs/dbraw/zinc/91/73/60/1437917360.db2.gz OHJFLMDYLHOOIP-IBGZPJMESA-N 2 0 345.531 3.088 10 0 EGAERP CC1CCC(C[N@@H+]2CCCC3(CN(C(=O)CCC[NH+](C)C)C3)C2)CC1 ZINC001734196586 1437937522 /nfs/dbraw/zinc/93/75/22/1437937522.db2.gz BWYGTIIQKVWNCH-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001734270990 1437999991 /nfs/dbraw/zinc/99/99/91/1437999991.db2.gz NAENHGKWEBNYGC-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001734272325 1438003197 /nfs/dbraw/zinc/00/31/97/1438003197.db2.gz LUWHPDTZZILTMU-LJQANCHMSA-N 2 0 349.494 3.151 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001734273222 1438004898 /nfs/dbraw/zinc/00/48/98/1438004898.db2.gz GSHOXFGWQISXJN-IBGZPJMESA-N 2 0 337.552 3.076 10 0 EGAERP C[N@H+](CC1CCCC1)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001734273230 1438004976 /nfs/dbraw/zinc/00/49/76/1438004976.db2.gz HBNSFNAMDKENTO-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CC(C)(C)C1 ZINC001734286532 1438014984 /nfs/dbraw/zinc/01/49/84/1438014984.db2.gz QVEJRSADCVVBCA-QGZVFWFLSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c(C)c1 ZINC001734287528 1438016761 /nfs/dbraw/zinc/01/67/61/1438016761.db2.gz VXMXHGLPUVLRDJ-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001734398038 1438081454 /nfs/dbraw/zinc/08/14/54/1438081454.db2.gz DIEMJLGUTPPCCK-IAGOWNOFSA-N 2 0 339.568 3.370 10 0 EGAERP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)cc1 ZINC001734401821 1438082968 /nfs/dbraw/zinc/08/29/68/1438082968.db2.gz CMXPIJCMNDSBKO-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H]1C ZINC001734403462 1438083807 /nfs/dbraw/zinc/08/38/07/1438083807.db2.gz GVOVGYBMXUDKJT-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734420707 1438089563 /nfs/dbraw/zinc/08/95/63/1438089563.db2.gz RYDUMXWISFLQLU-OXUXSNCKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001734456715 1438113973 /nfs/dbraw/zinc/11/39/73/1438113973.db2.gz IAWQVQWIQLMXKN-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)C)c1 ZINC001734546932 1438142675 /nfs/dbraw/zinc/14/26/75/1438142675.db2.gz DDBWSKYNZZWRPO-UYAOXDASSA-N 2 0 345.531 3.004 10 0 EGAERP CC1CCC(C[NH+]2CCC(C3(NC(=O)CC[NH+](C)C)CC3)CC2)CC1 ZINC001734607595 1438186532 /nfs/dbraw/zinc/18/65/32/1438186532.db2.gz YBUUZPUNTWINNX-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001734639779 1438198291 /nfs/dbraw/zinc/19/82/91/1438198291.db2.gz CVEKRDSJJNTJQD-SJLPKXTDSA-N 2 0 349.494 3.062 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001750928070 1440112132 /nfs/dbraw/zinc/11/21/32/1440112132.db2.gz CHXSVGDJEYDNRT-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC/C=C/c2ccccc2)[C@@H]1C ZINC001750930351 1440112680 /nfs/dbraw/zinc/11/26/80/1440112680.db2.gz HGSJVAZEVVHIAV-YBGNTVOFSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)[C@H](C)C1 ZINC000093639696 218236746 /nfs/dbraw/zinc/23/67/46/218236746.db2.gz NZDXNDPYGYBBBU-BEFAXECRSA-N 2 0 342.487 3.247 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1cccc(N2CCOCC2)c1 ZINC000268862783 252311440 /nfs/dbraw/zinc/31/14/40/252311440.db2.gz CAXQMFGWVZFUCG-KRWDZBQOSA-N 2 0 343.515 3.191 10 0 EGAERP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000354695422 141321248 /nfs/dbraw/zinc/32/12/48/141321248.db2.gz UZJDSXSHLJPANY-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@@H]2Cc2cccc(F)c2)CC1 ZINC000191463991 153198212 /nfs/dbraw/zinc/19/82/12/153198212.db2.gz WDIOTLHIVCRUBR-OAQYLSRUSA-N 2 0 347.522 3.249 10 0 EGAERP Cc1nc([C@@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cs1 ZINC000192832536 153261760 /nfs/dbraw/zinc/26/17/60/153261760.db2.gz GYYAZSZBQYIMOC-SFHVURJKSA-N 2 0 336.549 3.005 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CCN3CCCC[C@@H]3C2)cc1)C(C)C ZINC000194602315 153347566 /nfs/dbraw/zinc/34/75/66/153347566.db2.gz DEBWSHGPLZLNKD-HXUWFJFHSA-N 2 0 343.515 3.227 10 0 EGAERP CC(C)n1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000310831690 154144250 /nfs/dbraw/zinc/14/42/50/154144250.db2.gz LXJSWIJKOOAYNK-PCCBWWKXSA-N 2 0 338.499 3.464 10 0 EGAERP CC(C)n1cc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000310831691 154144666 /nfs/dbraw/zinc/14/46/66/154144666.db2.gz LXJSWIJKOOAYNK-PWRODBHTSA-N 2 0 338.499 3.464 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CCSC2CCCCC2)CC1 ZINC000337445249 154357843 /nfs/dbraw/zinc/35/78/43/154357843.db2.gz BUECZUMIRKQWNF-UHFFFAOYSA-N 2 0 335.517 3.278 10 0 EGAERP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337486060 154377746 /nfs/dbraw/zinc/37/77/46/154377746.db2.gz IEKMUGMAGPJOOB-AEFFLSMTSA-N 2 0 347.503 3.377 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@H](C)CCC[C@@H]3C)cn2)CC1 ZINC000360012787 156879487 /nfs/dbraw/zinc/87/94/87/156879487.db2.gz WOKQYHJJACKUGQ-YRWFTTLQSA-N 2 0 330.520 3.138 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000248132692 292367654 /nfs/dbraw/zinc/36/76/54/292367654.db2.gz ORHHNLTYZOSOFO-PKOBYXMFSA-N 2 0 332.488 3.035 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092753106 161979269 /nfs/dbraw/zinc/97/92/69/161979269.db2.gz KVFVKKDXUIKSLD-AWEZNQCLSA-N 2 0 339.549 3.413 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NC(C)(C)C ZINC000071124090 287041211 /nfs/dbraw/zinc/04/12/11/287041211.db2.gz FGQANVMNPUOGIK-MRXNPFEDSA-N 2 0 331.504 3.065 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOc1ccc(F)cc1 ZINC000346226510 164359701 /nfs/dbraw/zinc/35/97/01/164359701.db2.gz XAXAHNOYOTVUEF-UHFFFAOYSA-N 2 0 340.402 3.226 10 0 EGAERP CCn1nccc1CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@H](C)C1 ZINC000364955384 168005010 /nfs/dbraw/zinc/00/50/10/168005010.db2.gz NTMMJSPCDWRGAY-WIYYLYMNSA-N 2 0 340.515 3.430 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000366284202 168102243 /nfs/dbraw/zinc/10/22/43/168102243.db2.gz OKZZRQXMVJXDPZ-GHOZHQTGSA-N 2 0 327.516 3.113 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000367596979 168247413 /nfs/dbraw/zinc/24/74/13/168247413.db2.gz KWTTZJGBLHTDJF-SCTDSRPQSA-N 2 0 326.488 3.197 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000367975429 168291769 /nfs/dbraw/zinc/29/17/69/168291769.db2.gz YHIPTDFNLJLNMK-BBWFWOEESA-N 2 0 339.524 3.142 10 0 EGAERP C[C@@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737776 266142344 /nfs/dbraw/zinc/14/23/44/266142344.db2.gz QSIVCPBQBWLLLA-SFHVURJKSA-N 2 0 347.547 3.189 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194740410 266142666 /nfs/dbraw/zinc/14/26/66/266142666.db2.gz AGRCWHSYJLJGNT-SFHVURJKSA-N 2 0 343.515 3.236 10 0 EGAERP CCCCOC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195184151 275231093 /nfs/dbraw/zinc/23/10/93/275231093.db2.gz BDYWUGZZJMLZQY-ICSRJNTNSA-N 2 0 340.552 3.141 10 0 EGAERP C[C@@](O)(C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000278831070 275278968 /nfs/dbraw/zinc/27/89/68/275278968.db2.gz TZITVOLKMYOYJR-YYIAUSFCSA-N 2 0 342.405 3.085 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282988830 275689247 /nfs/dbraw/zinc/68/92/47/275689247.db2.gz FJFIEGUKZQFGTA-DXUGQKIESA-N 2 0 328.500 3.146 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372731 277173052 /nfs/dbraw/zinc/17/30/52/277173052.db2.gz XAMRMSZOPLRPDU-YDZRNGNQSA-N 2 0 333.907 3.302 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367617034 279083728 /nfs/dbraw/zinc/08/37/28/279083728.db2.gz PIYANVSVUCXGPA-AQNXPRMDSA-N 2 0 343.515 3.131 10 0 EGAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000349713908 279109212 /nfs/dbraw/zinc/10/92/12/279109212.db2.gz BUQPIKZJYOUUIV-IBGZPJMESA-N 2 0 334.504 3.465 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000340374426 280180156 /nfs/dbraw/zinc/18/01/56/280180156.db2.gz LJTVOJLHRAECPC-VAMGGRTRSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Cc1ccccc1 ZINC000248549739 308005362 /nfs/dbraw/zinc/00/53/62/308005362.db2.gz GAVSYVMRISSZNU-PGRDOPGGSA-N 2 0 338.495 3.222 10 0 EGAERP Fc1ccc(N2CC[C@@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000414564180 309089680 /nfs/dbraw/zinc/08/96/80/309089680.db2.gz CLZPDSHIABIJJZ-GOSISDBHSA-N 2 0 340.446 3.058 10 0 EGAERP CCCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)c1ccccc1 ZINC000414691036 309095598 /nfs/dbraw/zinc/09/55/98/309095598.db2.gz IKGIBVOAAMVPIF-ICSRJNTNSA-N 2 0 345.531 3.437 10 0 EGAERP Cc1cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)cc(C)c1O ZINC000298697708 308633812 /nfs/dbraw/zinc/63/38/12/308633812.db2.gz OCFYZZKVWDCGTI-UHFFFAOYSA-N 2 0 328.456 3.239 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414930382 309109868 /nfs/dbraw/zinc/10/98/68/309109868.db2.gz ASPVKCAODISQOH-UEKVPHQBSA-N 2 0 329.257 3.107 10 0 EGAERP COCC1(C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC[NH2+]CC1 ZINC000414983213 309112835 /nfs/dbraw/zinc/11/28/35/309112835.db2.gz ZEKOYZMNTTUBNE-UHFFFAOYSA-N 2 0 330.394 3.120 10 0 EGAERP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415052940 309116795 /nfs/dbraw/zinc/11/67/95/309116795.db2.gz JDOIHUGHCZBARH-CWTRNNRKSA-N 2 0 348.441 3.184 10 0 EGAERP c1ccc(C[C@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415060006 309117593 /nfs/dbraw/zinc/11/75/93/309117593.db2.gz VUMKOQHMKMGEIQ-BJTVZRGDSA-N 2 0 341.543 3.204 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](C2CCCC2)CC1 ZINC000415951590 309150887 /nfs/dbraw/zinc/15/08/87/309150887.db2.gz IQDNQFNCRWGOII-UHFFFAOYSA-N 2 0 344.503 3.325 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417862868 309225719 /nfs/dbraw/zinc/22/57/19/309225719.db2.gz DLEWVTPIBRERBO-KRWDZBQOSA-N 2 0 331.504 3.133 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](CC)C2)CC1 ZINC000421369935 309320973 /nfs/dbraw/zinc/32/09/73/309320973.db2.gz BLHYWIIVPWNJRA-VQTJNVASSA-N 2 0 345.531 3.266 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707019 309364069 /nfs/dbraw/zinc/36/40/69/309364069.db2.gz GLMCYCNKRNPIGE-UAFMIMERSA-N 2 0 333.495 3.329 10 0 EGAERP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000422740101 309366013 /nfs/dbraw/zinc/36/60/13/309366013.db2.gz MGUQRRXQNLGWCQ-WMQCIHAUSA-N 2 0 345.531 3.198 10 0 EGAERP COc1ccc(OC)c([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422771366 309367489 /nfs/dbraw/zinc/36/74/89/309367489.db2.gz REBGAVFIRVGJBQ-OCCSQVGLSA-N 2 0 329.444 3.278 10 0 EGAERP Fc1ccc(F)c(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816760 309369886 /nfs/dbraw/zinc/36/98/86/309369886.db2.gz BGXIZARGJZDUCN-QUCCMNQESA-N 2 0 344.405 3.353 10 0 EGAERP [NH3+]CC1CCC([NH2+]Cc2nccn2CCCc2ccccc2)CC1 ZINC000422825396 309370312 /nfs/dbraw/zinc/37/03/12/309370312.db2.gz ADWNMYCBSKEOQK-UHFFFAOYSA-N 2 0 326.488 3.123 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422887025 309374284 /nfs/dbraw/zinc/37/42/84/309374284.db2.gz XXEVTGZRWGBSFV-LVCYWYKZSA-N 3 0 347.547 3.008 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000422887027 309374304 /nfs/dbraw/zinc/37/43/04/309374304.db2.gz XXEVTGZRWGBSFV-UEXGIBASSA-N 3 0 347.547 3.008 10 0 EGAERP CC[C@@H]([NH2+]CC1(c2cc(C)ccc2OC)CCOCC1)[C@@H]1CCC[NH2+]1 ZINC000422898902 309374925 /nfs/dbraw/zinc/37/49/25/309374925.db2.gz NFECOCYQWSYIEN-MOPGFXCFSA-N 2 0 346.515 3.172 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900609 309375052 /nfs/dbraw/zinc/37/50/52/309375052.db2.gz AQFWBZJWBUHOAU-JAGQDSLRSA-N 2 0 327.516 3.432 10 0 EGAERP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH+]ccc1N ZINC000422913324 309375922 /nfs/dbraw/zinc/37/59/22/309375922.db2.gz YGOLVWSAEXEDTE-BPIHKTFHSA-N 2 0 336.483 3.340 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422915525 309376033 /nfs/dbraw/zinc/37/60/33/309376033.db2.gz BFBLLYLRNBFSIJ-ZIAGYGMSSA-N 2 0 343.471 3.148 10 0 EGAERP C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCCC[NH2+]1 ZINC000422956025 309378104 /nfs/dbraw/zinc/37/81/04/309378104.db2.gz OEWCBSGSAAVYGR-PFRQMTDMSA-N 2 0 331.504 3.238 10 0 EGAERP COc1ccc([C@@H](NC2CC([NH+]3CCCCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423099393 309385959 /nfs/dbraw/zinc/38/59/59/309385959.db2.gz UATWJCLCGBFWEB-RRIIRSAJSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@@H]1CC(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000423107831 309386381 /nfs/dbraw/zinc/38/63/81/309386381.db2.gz FINLATNTSDTHSE-HQEOYTPBSA-N 2 0 344.499 3.426 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2c(Br)cccc21 ZINC000423116890 309386919 /nfs/dbraw/zinc/38/69/19/309386919.db2.gz RZLUDMKGXDWXJR-BXUZGUMPSA-N 2 0 327.266 3.380 10 0 EGAERP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1C ZINC000423158225 309388664 /nfs/dbraw/zinc/38/86/64/309388664.db2.gz CMJFLXGZMGKSLS-PLACYPQZSA-N 2 0 330.516 3.107 10 0 EGAERP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CCC[NH3+])nc1 ZINC000423196432 309390136 /nfs/dbraw/zinc/39/01/36/309390136.db2.gz VIGOBGJQFGPBOF-IBGZPJMESA-N 2 0 331.891 3.390 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCC[C@@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423272435 309393675 /nfs/dbraw/zinc/39/36/75/309393675.db2.gz HZSZDTRNCGCFAC-AHIWAGSCSA-N 2 0 333.867 3.089 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423293636 309394253 /nfs/dbraw/zinc/39/42/53/309394253.db2.gz RUTIOFHACSIDQR-HZPDHXFCSA-N 2 0 325.456 3.238 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC[NH2+]1 ZINC000423373652 309397623 /nfs/dbraw/zinc/39/76/23/309397623.db2.gz HONLDPRJRZFTQR-BFVZDQMLSA-N 2 0 327.241 3.306 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000449026553 310030527 /nfs/dbraw/zinc/03/05/27/310030527.db2.gz GGZKPWYYDYTROL-HNAYVOBHSA-N 2 0 344.478 3.388 10 0 EGAERP C[C@H](CN1CCCC1=O)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449089780 310036122 /nfs/dbraw/zinc/03/61/22/310036122.db2.gz LJHXVTIQDBQSLH-MRXNPFEDSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](O)CC(C)(C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449155571 310040929 /nfs/dbraw/zinc/04/09/29/310040929.db2.gz BHRNGVQFLORQDD-ROUUACIJSA-N 2 0 332.532 3.469 10 0 EGAERP CS[C@H](CO)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449158925 310041176 /nfs/dbraw/zinc/04/11/76/310041176.db2.gz WERQLHYNQZPRIJ-GOEBONIOSA-N 2 0 330.582 3.368 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCO[C@@H]2CCOC2)CC1 ZINC000449189682 310043386 /nfs/dbraw/zinc/04/33/86/310043386.db2.gz MSMHKKXKXJGQET-GOSISDBHSA-N 2 0 340.552 3.451 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH+](C)C)CCC2)CC1 ZINC000449262563 310048483 /nfs/dbraw/zinc/04/84/83/310048483.db2.gz DNJOHDWKQUQSMH-SFHVURJKSA-N 2 0 329.532 3.156 10 0 EGAERP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449316871 310053008 /nfs/dbraw/zinc/05/30/08/310053008.db2.gz QNTOKFVSZWWNKF-KRWDZBQOSA-N 2 0 346.515 3.261 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCOC[C@H]2C)CC1 ZINC000449319788 310053104 /nfs/dbraw/zinc/05/31/04/310053104.db2.gz HGYYKRXKONQWEB-GGPKGHCWSA-N 2 0 330.516 3.344 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449403273 310059018 /nfs/dbraw/zinc/05/90/18/310059018.db2.gz PGNFHJYSQKTALE-PWRODBHTSA-N 2 0 326.484 3.223 10 0 EGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488245 310066229 /nfs/dbraw/zinc/06/62/29/310066229.db2.gz FCLPDYOEFRHWLS-WMZOPIPTSA-N 2 0 326.500 3.385 10 0 EGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488243 310066289 /nfs/dbraw/zinc/06/62/89/310066289.db2.gz FCLPDYOEFRHWLS-FUHWJXTLSA-N 2 0 326.500 3.385 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1 ZINC000449508075 310067827 /nfs/dbraw/zinc/06/78/27/310067827.db2.gz GNTVLKRZNDZAJE-OWYHZJEWSA-N 2 0 336.520 3.351 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@]2(CCSC2)C1 ZINC000449732651 310083063 /nfs/dbraw/zinc/08/30/63/310083063.db2.gz LYEAZAHUGQDIDY-GOSISDBHSA-N 2 0 328.485 3.295 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124900 310259470 /nfs/dbraw/zinc/25/94/70/310259470.db2.gz ITXZILBWDWWMSM-FUHWJXTLSA-N 2 0 344.503 3.095 10 0 EGAERP C[C@@H]([NH2+]CCCC[N@H+](C)C1CC1)c1ccc(-n2cncn2)cc1Cl ZINC000453420135 310276140 /nfs/dbraw/zinc/27/61/40/310276140.db2.gz ZGJBRPSQOPHJCR-CQSZACIVSA-N 2 0 347.894 3.446 10 0 EGAERP Cc1cc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)cc(C)c1O ZINC000459489370 310556025 /nfs/dbraw/zinc/55/60/25/310556025.db2.gz ALYQECCMGGPOBD-UHFFFAOYSA-N 2 0 325.456 3.205 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000514086747 312224597 /nfs/dbraw/zinc/22/45/97/312224597.db2.gz CMYOXOUOSLHOBO-FKBYEOEOSA-N 2 0 341.543 3.156 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000527680696 312909748 /nfs/dbraw/zinc/90/97/48/312909748.db2.gz BJDDRGWONBUGQS-UHFFFAOYSA-N 2 0 344.272 3.193 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527720933 312923092 /nfs/dbraw/zinc/92/30/92/312923092.db2.gz KQMJKNCXEMVEHO-VDGAXYAQSA-N 2 0 328.500 3.038 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](Nc2ccc(N3CCCC3)nc2)[C@@H](C)C1 ZINC000537455871 314182281 /nfs/dbraw/zinc/18/22/81/314182281.db2.gz GIEGAHACDWKDBU-HKUYNNGSSA-N 2 0 346.519 3.231 10 0 EGAERP CC(C)[C@H]1CC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552062014 315194362 /nfs/dbraw/zinc/19/43/62/315194362.db2.gz IKLNNUFAJGMWNZ-UXHICEINSA-N 2 0 343.515 3.036 10 0 EGAERP CC(C)[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552062015 315194378 /nfs/dbraw/zinc/19/43/78/315194378.db2.gz IKLNNUFAJGMWNZ-VQTJNVASSA-N 2 0 343.515 3.036 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247432 315209047 /nfs/dbraw/zinc/20/90/47/315209047.db2.gz OXROUGZCGHYPDB-WJFTUGDTSA-N 2 0 335.923 3.405 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000552248551 315209249 /nfs/dbraw/zinc/20/92/49/315209249.db2.gz KXWQWHCMZIYZCP-BODMPHMZSA-N 2 0 335.442 3.006 10 0 EGAERP CC[C@H](C)NC(=O)[C@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000564959586 316236874 /nfs/dbraw/zinc/23/68/74/316236874.db2.gz CWGFRVZHJSEMAP-LNLFQRSKSA-N 2 0 343.515 3.076 10 0 EGAERP CCC1(C[NH2+]C[C@H](O)COC(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000565945904 316392834 /nfs/dbraw/zinc/39/28/34/316392834.db2.gz BQPZABNHHNUSIC-FQEVSTJZSA-N 2 0 348.531 3.054 10 0 EGAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)c1ccc2c(c1)CC[NH2+]CC2 ZINC000567822359 316679443 /nfs/dbraw/zinc/67/94/43/316679443.db2.gz OMMCBXGOTYNEQS-UHFFFAOYSA-N 2 0 349.478 3.223 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000570202398 317021328 /nfs/dbraw/zinc/02/13/28/317021328.db2.gz ZDSIODGZWBZKJS-DLBZAZTESA-N 2 0 336.520 3.116 10 0 EGAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000570281878 317033238 /nfs/dbraw/zinc/03/32/38/317033238.db2.gz PAPWJADKAMHISA-UYAOXDASSA-N 2 0 343.515 3.149 10 0 EGAERP Cc1noc(CCC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)n1 ZINC000570631857 317083955 /nfs/dbraw/zinc/08/39/55/317083955.db2.gz SDZGAKNHVCPAHE-SFHVURJKSA-N 2 0 340.471 3.097 10 0 EGAERP COc1ccc(C[NH+](C)C)cc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000570775810 317105378 /nfs/dbraw/zinc/10/53/78/317105378.db2.gz ZYUYXKZGHZWSEL-UHFFFAOYSA-N 2 0 347.503 3.207 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](NC[C@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521336 317351149 /nfs/dbraw/zinc/35/11/49/317351149.db2.gz FMNAKSOQLDEWEL-WOJBJXKFSA-N 2 0 339.527 3.258 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000572614567 317365210 /nfs/dbraw/zinc/36/52/10/317365210.db2.gz BGKXIRSNKSLCIL-SJORKVTESA-N 2 0 329.488 3.341 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000572632887 317367900 /nfs/dbraw/zinc/36/79/00/317367900.db2.gz YBFORRZWOUJKCW-OALUTQOASA-N 2 0 348.531 3.404 10 0 EGAERP C[C@H]1C[C@@H](c2nc(-c3ccc(F)c(C[NH+](C)C)c3)no2)CC[N@@H+]1C ZINC000351211043 324196201 /nfs/dbraw/zinc/19/62/01/324196201.db2.gz NWXGGBZLGBPPMD-JSGCOSHPSA-N 2 0 332.423 3.135 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006904 325049717 /nfs/dbraw/zinc/04/97/17/325049717.db2.gz RUZYGKJXWXTQHW-FUHWJXTLSA-N 2 0 343.515 3.076 10 0 EGAERP Fc1cccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)c1OCC(F)(F)F ZINC000623527689 460597984 /nfs/dbraw/zinc/59/79/84/460597984.db2.gz BUKXWQWPHUMNSH-NSHDSACASA-N 2 0 343.324 3.137 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c(F)c2F)C1 ZINC000623560690 460611910 /nfs/dbraw/zinc/61/19/10/460611910.db2.gz PBFYGEZQTWHOLK-JGZJWPJOSA-N 2 0 333.220 3.157 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2[C@H]2CCC[N@@H+]2CC)o1 ZINC000069668206 454131803 /nfs/dbraw/zinc/13/18/03/454131803.db2.gz VRLUEJMYORVAPX-MSOLQXFVSA-N 2 0 347.503 3.210 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132882660 454374601 /nfs/dbraw/zinc/37/46/01/454374601.db2.gz ANLXUTIMBAQXIO-OAHLLOKOSA-N 2 0 327.394 3.409 10 0 EGAERP Clc1ccc2c(c1)C[C@@H]1[C@@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)[C@H]21 ZINC000623606206 460637287 /nfs/dbraw/zinc/63/72/87/460637287.db2.gz RFVGXHLYSSZRSK-IPMKNSEASA-N 2 0 336.826 3.349 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000105862666 454662006 /nfs/dbraw/zinc/66/20/06/454662006.db2.gz BHGSZMBMZPTHGS-KBPBESRZSA-N 2 0 326.431 3.050 10 0 EGAERP COCCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000152688634 454713482 /nfs/dbraw/zinc/71/34/82/454713482.db2.gz VJAHDLFECYCPRI-UHFFFAOYSA-N 2 0 332.488 3.020 10 0 EGAERP CC(C)n1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000124765210 454768150 /nfs/dbraw/zinc/76/81/50/454768150.db2.gz ZBNPIEJYKKNZIE-SFHVURJKSA-N 2 0 347.551 3.065 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425613 455047561 /nfs/dbraw/zinc/04/75/61/455047561.db2.gz OITKHJBRSZBBKR-QAPCUYQASA-N 2 0 345.512 3.239 10 0 EGAERP COC(=O)c1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)c(C)s1 ZINC000152009518 455060856 /nfs/dbraw/zinc/06/08/56/455060856.db2.gz PGGUDVUCOPXKHE-HNNXBMFYSA-N 2 0 333.457 3.013 10 0 EGAERP COc1cc(CN(C)C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000180080314 455128569 /nfs/dbraw/zinc/12/85/69/455128569.db2.gz SFGVJZHXUOQOTL-IBGZPJMESA-N 2 0 340.467 3.355 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCOC)c2)[C@@H](C)C1 ZINC000245723875 455365510 /nfs/dbraw/zinc/36/55/10/455365510.db2.gz IJUCOTPTYZIGLZ-FXAWDEMLSA-N 2 0 334.504 3.264 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)[C@@H](C)C1 ZINC000245764081 455375446 /nfs/dbraw/zinc/37/54/46/455375446.db2.gz QIIGHZROBPETGM-YOEHRIQHSA-N 2 0 326.431 3.493 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3ccccc3n2)cc1 ZINC000620514675 460673015 /nfs/dbraw/zinc/67/30/15/460673015.db2.gz UKYQFACUAGBOHJ-UHFFFAOYSA-N 2 0 335.451 3.465 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3c2cccc3Cl)CC1 ZINC000246815148 455527414 /nfs/dbraw/zinc/52/74/14/455527414.db2.gz UBYHMXLLTJLVII-LIRRHRJNSA-N 2 0 336.907 3.352 10 0 EGAERP C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)C[NH+]1CCO[C@H]2CCCC[C@H]21 ZINC000246853636 455530132 /nfs/dbraw/zinc/53/01/32/455530132.db2.gz DDVHPDARDNMAIT-ZRNYENFQSA-N 2 0 336.520 3.053 10 0 EGAERP c1cnn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000248400534 455713684 /nfs/dbraw/zinc/71/36/84/455713684.db2.gz LCJDYTFVAIFSAG-PWRODBHTSA-N 2 0 338.499 3.164 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CSCCS1 ZINC000268890300 455721068 /nfs/dbraw/zinc/72/10/68/455721068.db2.gz ACPPJINORRMKGF-NJAFHUGGSA-N 2 0 336.570 3.335 10 0 EGAERP COc1cc(CCC2CC[NH+](C[C@@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000261996847 455982679 /nfs/dbraw/zinc/98/26/79/455982679.db2.gz SVXZTVCPCFGXAQ-LJQANCHMSA-N 2 0 346.515 3.348 10 0 EGAERP [NH3+]CCCCCCC(=O)N(Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000262915253 456068875 /nfs/dbraw/zinc/06/88/75/456068875.db2.gz KGETZJYWBBLFOC-QGZVFWFLSA-N 2 0 349.544 3.128 10 0 EGAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000236934138 456204810 /nfs/dbraw/zinc/20/48/10/456204810.db2.gz BEEDBNMDBYTOKI-AABGKKOBSA-N 2 0 343.515 3.065 10 0 EGAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236939248 456205472 /nfs/dbraw/zinc/20/54/72/456205472.db2.gz SMDVVDSGAQIGPF-WDSOQIARSA-N 2 0 329.488 3.388 10 0 EGAERP COc1ccc2oc(C[NH2+][C@@H]3CCO[C@@H](c4cncn4C)C3)cc2c1 ZINC000275498242 456276377 /nfs/dbraw/zinc/27/63/77/456276377.db2.gz JMJKRAGJQOFCJT-AUUYWEPGSA-N 2 0 341.411 3.185 10 0 EGAERP Cc1ccc2[nH+]ccc(NC[C@@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000302140438 456298111 /nfs/dbraw/zinc/29/81/11/456298111.db2.gz DPBARNIJFWJBMH-FQEVSTJZSA-N 2 0 326.488 3.227 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000352836772 456350987 /nfs/dbraw/zinc/35/09/87/456350987.db2.gz XNOJMAFLQGFCCQ-LPHOPBHVSA-N 2 0 343.515 3.060 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000340477080 456483986 /nfs/dbraw/zinc/48/39/86/456483986.db2.gz WZHCFHRPOJHHDX-PXNSSMCTSA-N 2 0 341.503 3.221 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3COC4(CCC4)C3)cc2)C[C@@H](C)O1 ZINC000657825741 462285172 /nfs/dbraw/zinc/28/51/72/462285172.db2.gz BUMUWPLFETYDOK-HLIPFELVSA-N 2 0 344.499 3.097 10 0 EGAERP CC[NH+]1CCC(NC[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320346 462477465 /nfs/dbraw/zinc/47/74/65/462477465.db2.gz SGAKPMYYDREURE-HXUWFJFHSA-N 2 0 341.543 3.363 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)cn2)CC1 ZINC000337991549 456641778 /nfs/dbraw/zinc/64/17/78/456641778.db2.gz XBZRBEAERASEPC-RBUKOAKNSA-N 2 0 348.510 3.232 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000353396308 456673689 /nfs/dbraw/zinc/67/36/89/456673689.db2.gz SOJXKGWWSSPIRE-RSRIQPTJSA-N 2 0 327.516 3.112 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H]2CCC[C@H]21 ZINC000353410918 456683860 /nfs/dbraw/zinc/68/38/60/456683860.db2.gz XRVMZAFIUNAHNP-RWMBFGLXSA-N 2 0 329.307 3.473 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000348683304 456814697 /nfs/dbraw/zinc/81/46/97/456814697.db2.gz OUHWRIBREMFELY-ZPQVWODMSA-N 2 0 335.536 3.066 10 0 EGAERP CCc1oc(C[NH+]2CCC(C[NH+](CC)CC)CC2)cc1C(=O)OC ZINC000338949077 456870084 /nfs/dbraw/zinc/87/00/84/456870084.db2.gz ULOREHSUSNXOMS-UHFFFAOYSA-N 2 0 336.476 3.182 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COC)cc2)[C@@H](C)C1 ZINC000339097596 456939412 /nfs/dbraw/zinc/93/94/12/456939412.db2.gz YTILKCRZXDQJHS-FXAWDEMLSA-N 2 0 334.504 3.060 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351693089 457313915 /nfs/dbraw/zinc/31/39/15/457313915.db2.gz JMTUXRPWVLIICM-KRWDZBQOSA-N 2 0 326.488 3.251 10 0 EGAERP CC(C)n1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000385757142 457430149 /nfs/dbraw/zinc/43/01/49/457430149.db2.gz SVOGBXQPMHUOTB-SESVDKBCSA-N 2 0 338.499 3.464 10 0 EGAERP OC1(C[NH2+]Cc2cc(F)ccc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397600902 457490409 /nfs/dbraw/zinc/49/04/09/457490409.db2.gz UEBVNEFSLGKQPD-UHFFFAOYSA-N 2 0 346.421 3.082 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412684 457540046 /nfs/dbraw/zinc/54/00/46/457540046.db2.gz BYUDJSWJBAQNBH-HKUYNNGSSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H](CCC1CCCC1)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000358065851 457762388 /nfs/dbraw/zinc/76/23/88/457762388.db2.gz SUKUCONSORQSPB-QGZVFWFLSA-N 2 0 345.531 3.427 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358178640 457839490 /nfs/dbraw/zinc/83/94/90/457839490.db2.gz DKMUYKJBOOLOOS-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000411263091 457844843 /nfs/dbraw/zinc/84/48/43/457844843.db2.gz SDFIKJATLSYDHW-OAQYLSRUSA-N 2 0 327.516 3.341 10 0 EGAERP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375844049 458091828 /nfs/dbraw/zinc/09/18/28/458091828.db2.gz ZJGCYJSHWTUFJI-OTWHNJEPSA-N 2 0 344.503 3.179 10 0 EGAERP Cc1nccc(CN2CC[C@H]3[C@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152348 458102834 /nfs/dbraw/zinc/10/28/34/458102834.db2.gz AOZSEFAXQXBLDM-CTNGQTDRSA-N 2 0 336.483 3.272 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375896434 458113909 /nfs/dbraw/zinc/11/39/09/458113909.db2.gz WUADCPUKPSFXKW-AQNXPRMDSA-N 2 0 332.488 3.064 10 0 EGAERP CCO[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000446847466 458236778 /nfs/dbraw/zinc/23/67/78/458236778.db2.gz MUWDQZYIIKNOON-FQEVSTJZSA-N 2 0 336.439 3.443 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(NC3CC[NH+](C4CC4)CC3)c2)C[C@@H](C)O1 ZINC000459349299 458340004 /nfs/dbraw/zinc/34/00/04/458340004.db2.gz AXZKQQSGCGOJPG-IAGOWNOFSA-N 2 0 343.515 3.335 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000423521081 458450162 /nfs/dbraw/zinc/45/01/62/458450162.db2.gz SAVICWOZQYCOLW-IUDNXUCKSA-N 2 0 339.886 3.346 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CC12CCSCC2 ZINC000423552846 458457288 /nfs/dbraw/zinc/45/72/88/458457288.db2.gz QCZUEGMRODJMNV-RIFZZMRRSA-N 2 0 344.524 3.365 10 0 EGAERP CC1=CCC[C@H](C)[C@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377703595 458511525 /nfs/dbraw/zinc/51/15/25/458511525.db2.gz VGRJQOVQKDDGJG-JKMPKNINSA-N 2 0 331.548 3.222 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000431784411 458623939 /nfs/dbraw/zinc/62/39/39/458623939.db2.gz LOGYTEWDSRMWOU-SJORKVTESA-N 2 0 335.492 3.043 10 0 EGAERP C[NH+](C)C[C@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000530223432 458721981 /nfs/dbraw/zinc/72/19/81/458721981.db2.gz JPEAQXYZBXHWKK-CKQIIDDLSA-N 2 0 342.314 3.469 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc3[nH]ccc32)[C@H](C)C1 ZINC000503927936 458730752 /nfs/dbraw/zinc/73/07/52/458730752.db2.gz KUMLEIYWLJBUSN-YLJYHZDGSA-N 2 0 343.515 3.437 10 0 EGAERP CN(c1ccccc1C[NH2+]CCOC(C)(C)C)C1CC[NH+](C)CC1 ZINC000531595628 458942600 /nfs/dbraw/zinc/94/26/00/458942600.db2.gz VEQJOBAUXKEZAJ-UHFFFAOYSA-N 2 0 333.520 3.122 10 0 EGAERP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)[NH+](C)C)cc1 ZINC000556259934 458942945 /nfs/dbraw/zinc/94/29/45/458942945.db2.gz GBAHJJBTJNWRLH-WTGUMLROSA-N 2 0 347.572 3.474 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502117 459064392 /nfs/dbraw/zinc/06/43/92/459064392.db2.gz FJCHOIYHKHWYOM-KXBFYZLASA-N 2 0 330.472 3.172 10 0 EGAERP Fc1cccc(F)c1-c1ncc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)s1 ZINC000521187812 459126996 /nfs/dbraw/zinc/12/69/96/459126996.db2.gz WUQWRVAZYHJNGK-SNVBAGLBSA-N 2 0 346.406 3.459 10 0 EGAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCC(C(C)(C)C)CC1 ZINC000521430818 459151220 /nfs/dbraw/zinc/15/12/20/459151220.db2.gz DMDFUURJYKBDQS-UHFFFAOYSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000567794988 459169458 /nfs/dbraw/zinc/16/94/58/459169458.db2.gz SFTPCROAMWISBD-WTBLGDFPSA-N 2 0 341.543 3.423 10 0 EGAERP CC[N@H+](CCN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567852141 459178713 /nfs/dbraw/zinc/17/87/13/459178713.db2.gz SKGLMZHSYHAFLE-LJQANCHMSA-N 2 0 327.516 3.258 10 0 EGAERP O[C@@H]1CCCC[C@H]1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000568050776 459214685 /nfs/dbraw/zinc/21/46/85/459214685.db2.gz DZORGOYLJYYXEM-RCCFBDPRSA-N 2 0 334.529 3.243 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000560521476 459364554 /nfs/dbraw/zinc/36/45/54/459364554.db2.gz RZVZJUCKEZOWTN-PLACYPQZSA-N 2 0 327.516 3.286 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@@H]32)C1 ZINC000560531376 459367938 /nfs/dbraw/zinc/36/79/38/459367938.db2.gz XRWYPMRYKCWAFS-RSRIQPTJSA-N 2 0 327.516 3.284 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1C ZINC000540746734 459383881 /nfs/dbraw/zinc/38/38/81/459383881.db2.gz ADIHMIUWARDYGC-MJGOQNOKSA-N 2 0 333.520 3.047 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(OCC)cc2)CC[NH2+]CC1 ZINC000591567565 459402465 /nfs/dbraw/zinc/40/24/65/459402465.db2.gz YBQQNBDDODXVAJ-HOTGVXAUSA-N 2 0 348.487 3.057 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000541575039 459468907 /nfs/dbraw/zinc/46/89/07/459468907.db2.gz SGRWICGTZVUAMO-IEBWSBKVSA-N 2 0 345.531 3.324 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000596649112 459713948 /nfs/dbraw/zinc/71/39/48/459713948.db2.gz BIDMABSHKCCWQU-TXPKVOOTSA-N 2 0 344.499 3.139 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008528 459795006 /nfs/dbraw/zinc/79/50/06/459795006.db2.gz FKBSMTPVYJYVDG-YLJYHZDGSA-N 2 0 345.531 3.295 10 0 EGAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014594 459796635 /nfs/dbraw/zinc/79/66/35/459796635.db2.gz QIEVRUZKJJRTOU-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014596 459796734 /nfs/dbraw/zinc/79/67/34/459796734.db2.gz QIEVRUZKJJRTOU-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000575894970 460029442 /nfs/dbraw/zinc/02/94/42/460029442.db2.gz UPDIRLZPKGGXPT-NVXWUHKLSA-N 2 0 339.487 3.277 10 0 EGAERP COc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775705 460059418 /nfs/dbraw/zinc/05/94/18/460059418.db2.gz WXZSBTPKCYBWBX-WOJBJXKFSA-N 2 0 339.483 3.262 10 0 EGAERP CCOC(=O)c1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@H]2C)n1 ZINC000600122555 460391543 /nfs/dbraw/zinc/39/15/43/460391543.db2.gz BUZNRLCTVWZANG-MRXNPFEDSA-N 2 0 333.476 3.003 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21)C1CC[NH+](C)CC1 ZINC000631659273 460494207 /nfs/dbraw/zinc/49/42/07/460494207.db2.gz AUESTAMGXZUHAO-PHTTXTFCSA-N 2 0 349.316 3.407 10 0 EGAERP CC[NH+](CC)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355041 460507859 /nfs/dbraw/zinc/50/78/59/460507859.db2.gz VOXFURYLDZCXDM-WOJBJXKFSA-N 2 0 331.548 3.402 10 0 EGAERP CC[NH+](CC)CCOc1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623359970 460509870 /nfs/dbraw/zinc/50/98/70/460509870.db2.gz LWLUYVFABVROKC-LJQANCHMSA-N 2 0 347.547 3.370 10 0 EGAERP Cc1cc(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)ccn1 ZINC000623363044 460511635 /nfs/dbraw/zinc/51/16/35/460511635.db2.gz VPYHTTPFTAIRQN-UHFFFAOYSA-N 2 0 338.499 3.082 10 0 EGAERP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)C(F)F ZINC000631700208 460522053 /nfs/dbraw/zinc/52/20/53/460522053.db2.gz DQTTYQKVDUXIJL-BRSBDYLESA-N 2 0 338.442 3.035 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623425271 460542209 /nfs/dbraw/zinc/54/22/09/460542209.db2.gz WXNLHLUDIQTALO-HNNXBMFYSA-N 2 0 330.501 3.210 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(OC)c(OC3CC3)c2)CC1 ZINC000623431346 460546787 /nfs/dbraw/zinc/54/67/87/460546787.db2.gz BMASVELLODUQBJ-UHFFFAOYSA-N 2 0 332.488 3.448 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@H]2CCCCO2)cc1 ZINC000623865545 460750548 /nfs/dbraw/zinc/75/05/48/460750548.db2.gz UYSDOIUNEUDEJA-YLJYHZDGSA-N 2 0 334.504 3.454 10 0 EGAERP C/C=C\COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521415 460793930 /nfs/dbraw/zinc/79/39/30/460793930.db2.gz PFFKKLFGZFUWFU-CWIOURORSA-N 2 0 332.488 3.060 10 0 EGAERP [NH3+]C1(C[NH2+][C@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000629522341 460794930 /nfs/dbraw/zinc/79/49/30/460794930.db2.gz ZZLILFYXVPLJBW-HOTGVXAUSA-N 2 0 342.405 3.439 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000629541474 460800466 /nfs/dbraw/zinc/80/04/66/460800466.db2.gz PEQJNGWVVBFKQP-ZDUSSCGKSA-N 2 0 333.259 3.162 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3cccc(C)c3C2)[C@@H](C)C1 ZINC000624072087 460845537 /nfs/dbraw/zinc/84/55/37/460845537.db2.gz UANMWUKOUCBBOR-BJLQDIEVSA-N 2 0 346.515 3.025 10 0 EGAERP C[C@H](NC[C@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123182 460872828 /nfs/dbraw/zinc/87/28/28/460872828.db2.gz HJHXRFBMWYSSGH-DLBZAZTESA-N 2 0 326.488 3.470 10 0 EGAERP COc1ccc(CN2CC[C@H](C[NH+]3CCCC3)C2)cc1OC1CC1 ZINC000628182249 461036328 /nfs/dbraw/zinc/03/63/28/461036328.db2.gz LGBXPPWSKRVSHU-QGZVFWFLSA-N 2 0 330.472 3.154 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000646250116 461151273 /nfs/dbraw/zinc/15/12/73/461151273.db2.gz DOGUYXJUDSFLBA-IBGZPJMESA-N 2 0 343.515 3.014 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(Cl)cc2)C1 ZINC000652361200 461154376 /nfs/dbraw/zinc/15/43/76/461154376.db2.gz ZLWUHPNUHPUGSK-NXHRZFHOSA-N 2 0 338.879 3.080 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCOc2cccc(Cl)c2)C1 ZINC000652360329 461155725 /nfs/dbraw/zinc/15/57/25/461155725.db2.gz FLYMBDHZPWSDBY-NXHRZFHOSA-N 2 0 338.879 3.080 10 0 EGAERP Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363786 461157973 /nfs/dbraw/zinc/15/79/73/461157973.db2.gz NLEOOFIYVOJKFB-IPMKNSEASA-N 2 0 332.488 3.043 10 0 EGAERP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299046 461177612 /nfs/dbraw/zinc/17/76/12/461177612.db2.gz ZIMPTFGUOUHPIR-RDJZCZTQSA-N 2 0 347.478 3.173 10 0 EGAERP c1ccc(N2CC[C@@H](C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106085 461243200 /nfs/dbraw/zinc/24/32/00/461243200.db2.gz YKTZDBXMUZJZFI-PZJWPPBQSA-N 2 0 327.516 3.463 10 0 EGAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCC[NH2+]C3CCCCCC3)cc21 ZINC000659293443 461279054 /nfs/dbraw/zinc/27/90/54/461279054.db2.gz HURHMELISFMRBS-SFHVURJKSA-N 2 0 343.515 3.107 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292442 461279134 /nfs/dbraw/zinc/27/91/34/461279134.db2.gz PLKCYFCXMZKIFN-UXHICEINSA-N 2 0 343.515 3.094 10 0 EGAERP [NH3+][C@@H](CCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000662593066 461309342 /nfs/dbraw/zinc/30/93/42/461309342.db2.gz GWMQYKYNYIVGKQ-PMACEKPBSA-N 2 0 349.563 3.303 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662721173 461357170 /nfs/dbraw/zinc/35/71/70/461357170.db2.gz KULUUBGGEVKSLJ-MRXNPFEDSA-N 2 0 341.499 3.003 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000655804561 461463433 /nfs/dbraw/zinc/46/34/33/461463433.db2.gz ZNMHZHLEBYTQIT-HYEGPXJVSA-N 2 0 336.907 3.360 10 0 EGAERP C[C@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000655827666 461481860 /nfs/dbraw/zinc/48/18/60/461481860.db2.gz XFQAWDKZJAYHMO-IOASZLSFSA-N 2 0 325.294 3.482 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000660006846 461541478 /nfs/dbraw/zinc/54/14/78/461541478.db2.gz VRIGJSUWXGHLTC-QGZVFWFLSA-N 2 0 340.577 3.221 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]Cc2cccc(-n3cccn3)c2)[C@H](c2ccccc2)C1 ZINC000647249229 461587737 /nfs/dbraw/zinc/58/77/37/461587737.db2.gz LEFHCBWOBYCWBN-IRLDBZIGSA-N 2 0 346.478 3.307 10 0 EGAERP Cc1cccc2ncc(C[NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)n21 ZINC000647248960 461588960 /nfs/dbraw/zinc/58/89/60/461588960.db2.gz TTXZQMJKAFKTKQ-QUCCMNQESA-N 2 0 334.467 3.078 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCO[C@@H](C(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000647249322 461589208 /nfs/dbraw/zinc/58/92/08/461589208.db2.gz RMFRXAUPYDPFPM-WCXIOVBPSA-N 2 0 342.405 3.031 10 0 EGAERP CC(C)C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000647295648 461619122 /nfs/dbraw/zinc/61/91/22/461619122.db2.gz QSEDLIPQRMJSJY-LJQANCHMSA-N 2 0 342.487 3.294 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(-n2ccc(C(F)(F)F)n2)cc1 ZINC000663499767 461672638 /nfs/dbraw/zinc/67/26/38/461672638.db2.gz MGDIZSWBJNTSFN-OAHLLOKOSA-N 2 0 340.393 3.354 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000663500379 461674601 /nfs/dbraw/zinc/67/46/01/461674601.db2.gz QUQVWJYTOQIJJL-OAHLLOKOSA-N 2 0 336.277 3.460 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H]2CCC(C)C)CC1 ZINC000663504830 461676392 /nfs/dbraw/zinc/67/63/92/461676392.db2.gz AMLXGSNWICMNGD-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000631256776 461678800 /nfs/dbraw/zinc/67/88/00/461678800.db2.gz XEVVPJFIAJZTTF-RBUKOAKNSA-N 2 0 326.444 3.013 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCOC2)cc1 ZINC000656402293 461734784 /nfs/dbraw/zinc/73/47/84/461734784.db2.gz MURXGHMGVBCERT-ITBHCLRTSA-N 2 0 340.511 3.255 10 0 EGAERP CC[C@@H](C)Oc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000647544512 461758838 /nfs/dbraw/zinc/75/88/38/461758838.db2.gz BYBZIOCJRSDAIS-NXHRZFHOSA-N 2 0 332.488 3.304 10 0 EGAERP c1c(C[NH2+][C@H]2CCC[NH2+]CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000666857802 461839131 /nfs/dbraw/zinc/83/91/31/461839131.db2.gz JRZHMNOHZRWOLE-KRWDZBQOSA-N 2 0 339.487 3.292 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN(C3CC3)[C@H](c3ccccc3)C2)C1 ZINC000639309766 461854832 /nfs/dbraw/zinc/85/48/32/461854832.db2.gz DVLLSOMIMFJGMM-YRLHULLVSA-N 2 0 327.516 3.284 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647901677 461875709 /nfs/dbraw/zinc/87/57/09/461875709.db2.gz STWRMUBAUZLMJC-ROUUACIJSA-N 2 0 340.471 3.133 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1 ZINC000647901872 461876375 /nfs/dbraw/zinc/87/63/75/461876375.db2.gz WWHUNEYWPAMMEX-PBHICJAKSA-N 2 0 335.879 3.133 10 0 EGAERP FC(F)(F)COc1cccc(C[NH2+][C@@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998353 461905535 /nfs/dbraw/zinc/90/55/35/461905535.db2.gz OYHNOVFHCHJTRK-CQSZACIVSA-N 2 0 328.378 3.392 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)cc2c1O[C@@H](C)C2 ZINC000650718247 461909091 /nfs/dbraw/zinc/90/90/91/461909091.db2.gz DRTOXUIEYQKQIQ-AWEZNQCLSA-N 2 0 326.440 3.028 10 0 EGAERP CCCOc1ccc(C[NH2+]Cc2ccccc2C[NH2+]C)cc1OC ZINC000650718264 461909964 /nfs/dbraw/zinc/90/99/64/461909964.db2.gz FGYAMLLLRWYASH-UHFFFAOYSA-N 2 0 328.456 3.493 10 0 EGAERP Cc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000664011576 461912315 /nfs/dbraw/zinc/91/23/15/461912315.db2.gz PBNHTAICHIIBAO-UHFFFAOYSA-N 2 0 343.446 3.373 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650722806 461914752 /nfs/dbraw/zinc/91/47/52/461914752.db2.gz BRBPUTJLEBORIV-IPMKNSEASA-N 2 0 332.488 3.173 10 0 EGAERP C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000650750794 461933854 /nfs/dbraw/zinc/93/38/54/461933854.db2.gz LDUKXFOUBBBBSK-QFBILLFUSA-N 2 0 339.483 3.314 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1ccc2c(c1)OC(F)(F)O2 ZINC000650761103 461940025 /nfs/dbraw/zinc/94/00/25/461940025.db2.gz SAZQOTRLMVLKPF-LLVKDONJSA-N 2 0 349.381 3.064 10 0 EGAERP O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545359 461979162 /nfs/dbraw/zinc/97/91/62/461979162.db2.gz LFSCOKKIQLVVMJ-NHCUHLMSSA-N 2 0 330.516 3.082 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657309192 462032871 /nfs/dbraw/zinc/03/28/71/462032871.db2.gz BQGUAZXCBPORPZ-GOSISDBHSA-N 2 0 329.532 3.460 10 0 EGAERP CC[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336710 462057159 /nfs/dbraw/zinc/05/71/59/462057159.db2.gz YMIRTZMJFYJOSD-RTBURBONSA-N 2 0 332.488 3.064 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@@H](C)COC)cc2)CC1 ZINC000657348520 462064066 /nfs/dbraw/zinc/06/40/66/462064066.db2.gz YQLHROQYHVMUMT-KRWDZBQOSA-N 2 0 334.504 3.312 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(CC)CC ZINC000657390499 462092438 /nfs/dbraw/zinc/09/24/38/462092438.db2.gz WSDZLEIDSFJWPS-ROUUACIJSA-N 2 0 328.460 3.341 10 0 EGAERP CCC(CC)[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657429100 462116556 /nfs/dbraw/zinc/11/65/56/462116556.db2.gz PFOCNBOCIVDQJU-LPHOPBHVSA-N 2 0 328.460 3.341 10 0 EGAERP CC(C)(C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1 ZINC000657536249 462170592 /nfs/dbraw/zinc/17/05/92/462170592.db2.gz ZCDRZRVKUNRZRQ-UHFFFAOYSA-N 2 0 330.516 3.445 10 0 EGAERP Cc1ccc2cc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)[nH]c2c1 ZINC000657597440 462199782 /nfs/dbraw/zinc/19/97/82/462199782.db2.gz OKXYXKULDDKGJK-NRFANRHFSA-N 2 0 349.478 3.333 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000657838193 462291381 /nfs/dbraw/zinc/29/13/81/462291381.db2.gz OREQITUBQAYZJY-HKUYNNGSSA-N 2 0 326.525 3.062 10 0 EGAERP Cc1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066990 462365357 /nfs/dbraw/zinc/36/53/57/462365357.db2.gz JCTXEUDVKIESAS-CYBMUJFWSA-N 2 0 337.533 3.302 10 0 EGAERP CO[C@@H](c1ccccc1)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069235 462366411 /nfs/dbraw/zinc/36/64/11/462366411.db2.gz DRCSSWHHMIWUPH-DYESRHJHSA-N 2 0 346.515 3.243 10 0 EGAERP CC[N@H+](CCCNCc1ncc(COC)s1)C1CCCCC1 ZINC000651910026 462377547 /nfs/dbraw/zinc/37/75/47/462377547.db2.gz DYHAHHVPTRSESF-UHFFFAOYSA-N 2 0 325.522 3.424 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@@H]1CCc2cc(N)ccc21 ZINC000665269727 462378423 /nfs/dbraw/zinc/37/84/23/462378423.db2.gz LWNMIYOTPVZCAX-GQWLDOHISA-N 2 0 336.483 3.151 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000665287825 462385932 /nfs/dbraw/zinc/38/59/32/462385932.db2.gz VRAJGAMDWKLNEE-FQEVSTJZSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(C)c1 ZINC000665289017 462387117 /nfs/dbraw/zinc/38/71/17/462387117.db2.gz DAMHNYZHEXGZDI-IBGZPJMESA-N 2 0 331.504 3.026 10 0 EGAERP CCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccsc1 ZINC000665289763 462387366 /nfs/dbraw/zinc/38/73/66/462387366.db2.gz WQHWGWPOEUSANA-KRWDZBQOSA-N 2 0 337.533 3.170 10 0 EGAERP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139933 462403777 /nfs/dbraw/zinc/40/37/77/462403777.db2.gz OPIIORWRJHSXOM-HNAYVOBHSA-N 2 0 330.497 3.036 10 0 EGAERP COC1([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CCCCC1 ZINC000658142526 462405523 /nfs/dbraw/zinc/40/55/23/462405523.db2.gz ZSFVXIHUIGEIPL-PXNSSMCTSA-N 2 0 346.515 3.081 10 0 EGAERP COC1(C[C@@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000658168422 462415864 /nfs/dbraw/zinc/41/58/64/462415864.db2.gz WZHVIEFGNAZZRJ-QGZVFWFLSA-N 2 0 331.504 3.231 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000155015767 546898305 /nfs/dbraw/zinc/89/83/05/546898305.db2.gz WPKCVEAYRZFCAK-DENIHFKCSA-N 2 0 343.559 3.404 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@H]1c1cccs1 ZINC000339067060 547568659 /nfs/dbraw/zinc/56/86/59/547568659.db2.gz DXWSEZKRTLFARP-VXNCWWDNSA-N 2 0 333.545 3.347 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CN[C@@H](C)C[NH+](CC)CC)CC1 ZINC000344219132 547609539 /nfs/dbraw/zinc/60/95/39/547609539.db2.gz MXOJBDHXBUPEIG-IBGZPJMESA-N 2 0 346.563 3.039 10 0 EGAERP C[C@]1(CNC2CC[NH+](C3CC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398112023 547837330 /nfs/dbraw/zinc/83/73/30/547837330.db2.gz RYCOFCVPVHKLPL-OAQYLSRUSA-N 2 0 327.516 3.258 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000678350393 549474264 /nfs/dbraw/zinc/47/42/64/549474264.db2.gz VZKPNTKZFZBJKI-XZOQPEGZSA-N 2 0 349.522 3.467 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000678609191 549531188 /nfs/dbraw/zinc/53/11/88/549531188.db2.gz HQANRLFNOVKKCA-BKTGTZMESA-N 2 0 337.458 3.030 10 0 EGAERP c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+][C@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000679022337 549616961 /nfs/dbraw/zinc/61/69/61/549616961.db2.gz DATYIKYOXODCCE-SLFFLAALSA-N 2 0 348.494 3.217 10 0 EGAERP CC(C)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000679768900 549774407 /nfs/dbraw/zinc/77/44/07/549774407.db2.gz WNSZJZSXDQZZKL-GOSISDBHSA-N 2 0 339.474 3.278 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCSC2)CC1 ZINC000684111496 550292645 /nfs/dbraw/zinc/29/26/45/550292645.db2.gz XSDJKAIGKLSTHZ-QGZVFWFLSA-N 2 0 333.545 3.061 10 0 EGAERP C[C@@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684410901 550326616 /nfs/dbraw/zinc/32/66/16/550326616.db2.gz COIKAJMACYNKNT-CJNGLKHVSA-N 2 0 330.394 3.400 10 0 EGAERP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684967659 550389684 /nfs/dbraw/zinc/38/96/84/550389684.db2.gz JXAKLRDYOYSMMZ-FQEVSTJZSA-N 2 0 342.487 3.088 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000685841032 550447121 /nfs/dbraw/zinc/44/71/21/550447121.db2.gz VFMYQGCWTVIGRB-LJQANCHMSA-N 2 0 345.575 3.390 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000728571361 574759259 /nfs/dbraw/zinc/75/92/59/574759259.db2.gz CCSZZQDDJCEINT-GOSISDBHSA-N 2 0 326.431 3.050 10 0 EGAERP C[NH+](C)Cc1ccc(C[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000114770756 1293178276 /nfs/dbraw/zinc/17/82/76/1293178276.db2.gz RDGTYUURDIKMIR-GOSISDBHSA-N 2 0 347.503 3.237 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3ccccc3o2)ccn1 ZINC000136232672 1293812619 /nfs/dbraw/zinc/81/26/19/1293812619.db2.gz FFSDYQGFLLWZQO-UHFFFAOYSA-N 2 0 325.412 3.058 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH+](C)C(C)(C)CC2)cc1 ZINC000871153282 1296243722 /nfs/dbraw/zinc/24/37/22/1296243722.db2.gz JVHOPUZLPQBKFN-UHFFFAOYSA-N 2 0 345.531 3.475 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)C(=O)N(C)c1ccc(C)cc1 ZINC000871886148 1296595571 /nfs/dbraw/zinc/59/55/71/1296595571.db2.gz BQHRCQONHZCNIS-LJQANCHMSA-N 2 0 336.439 3.174 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000872086738 1296725956 /nfs/dbraw/zinc/72/59/56/1296725956.db2.gz XKKCJAVSCLVVCF-SJORKVTESA-N 2 0 344.421 3.464 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC(C)C)CCC2)[C@@H](C)C1 ZINC000872117576 1296744542 /nfs/dbraw/zinc/74/45/42/1296744542.db2.gz SOUSRGGDIRTYHF-ZWKOTPCHSA-N 2 0 326.525 3.061 10 0 EGAERP Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000872132531 1296756103 /nfs/dbraw/zinc/75/61/03/1296756103.db2.gz GEYDIGOIMUYNNL-GOEBONIOSA-N 2 0 328.460 3.137 10 0 EGAERP Brc1ccc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)nc1 ZINC000873232790 1297374739 /nfs/dbraw/zinc/37/47/39/1297374739.db2.gz MJPURCGWKBZMSG-HNNXBMFYSA-N 2 0 338.293 3.246 10 0 EGAERP c1ccc(C[NH+]2CCC3(CCN([C@@H]4CCCC[NH2+]C4)C3)CC2)cc1 ZINC000383522441 1297572755 /nfs/dbraw/zinc/57/27/55/1297572755.db2.gz OAYIVRNLGUGRKT-HXUWFJFHSA-N 2 0 327.516 3.117 10 0 EGAERP CN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388261664 1297599266 /nfs/dbraw/zinc/59/92/66/1297599266.db2.gz BCBMTPZTSVULJK-GOTSBHOMSA-N 2 0 349.522 3.297 10 0 EGAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@H]1CCCN(Cc2ccccc2)C1 ZINC000388337948 1297601688 /nfs/dbraw/zinc/60/16/88/1297601688.db2.gz GFSAJFVLZFHOIK-QHCPKHFHSA-N 2 0 349.522 3.429 10 0 EGAERP C[C@@H]1CCCC[C@@H]1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397588439 1297701131 /nfs/dbraw/zinc/70/11/31/1297701131.db2.gz KQUDWFGRBXPCIC-UYAOXDASSA-N 2 0 330.516 3.429 10 0 EGAERP c1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCCC4(C3)OCCO4)CC2)cc1 ZINC000712819863 1298268245 /nfs/dbraw/zinc/26/82/45/1298268245.db2.gz BIIDHBRZGFCSBH-FQEVSTJZSA-N 2 0 344.499 3.174 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000715277594 1298280297 /nfs/dbraw/zinc/28/02/97/1298280297.db2.gz NNRAVBPYHCEBOS-GTPINHCMSA-N 2 0 339.524 3.096 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284258 1298280308 /nfs/dbraw/zinc/28/03/08/1298280308.db2.gz WXYGHKFQJMXAFE-IXDOHACOSA-N 2 0 339.524 3.238 10 0 EGAERP c1cc(N2CC[NH+]3CCC[C@@H]3C2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883346655 1302404851 /nfs/dbraw/zinc/40/48/51/1302404851.db2.gz DTLTZLFEXGMEQE-HMXCVIKNSA-N 2 0 340.515 3.010 10 0 EGAERP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@]45CCOC5)CC[C@H]32)cc1 ZINC000886043665 1303332004 /nfs/dbraw/zinc/33/20/04/1303332004.db2.gz HORZTEMEOLHASR-MBDNFAEBSA-N 2 0 340.511 3.400 10 0 EGAERP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886593918 1303516183 /nfs/dbraw/zinc/51/61/83/1303516183.db2.gz BQJLTJKZBDRGCP-WHZJULEDSA-N 2 0 328.500 3.180 10 0 EGAERP Cc1n[nH]c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c1C ZINC000893996060 1306169416 /nfs/dbraw/zinc/16/94/16/1306169416.db2.gz RPWCQPZBJIPGFZ-UHFFFAOYSA-N 2 0 326.488 3.371 10 0 EGAERP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cs1 ZINC000894154407 1306248217 /nfs/dbraw/zinc/24/82/17/1306248217.db2.gz WSRNHVJDSJNSKA-UHFFFAOYSA-N 2 0 344.480 3.420 10 0 EGAERP CCOP(=O)(CCC[NH+]1CCC(C)([NH+]2CCC2)CC1)OCC ZINC000895670079 1309457411 /nfs/dbraw/zinc/45/74/11/1309457411.db2.gz BBZHGUNXEDLQBB-UHFFFAOYSA-N 2 0 332.425 3.203 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC[C@@H]3CCOC3)cc2)C[C@H](C)O1 ZINC000895739809 1309498477 /nfs/dbraw/zinc/49/84/77/1309498477.db2.gz HVTDKYHQMUQNNM-LVCYWYKZSA-N 2 0 346.515 3.154 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)C[C@@H]3CCCOC3)cc2)C[C@H](C)O1 ZINC000895740301 1309498586 /nfs/dbraw/zinc/49/85/86/1309498586.db2.gz QFTOGNPJKURKAS-UEXGIBASSA-N 2 0 346.515 3.154 10 0 EGAERP C[NH+](C)C[C@H]1CCN(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000929637626 1328653523 /nfs/dbraw/zinc/65/35/23/1328653523.db2.gz LQYJOOSUKRPYIK-UKPHBRMFSA-N 2 0 342.405 3.052 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029607 1328664851 /nfs/dbraw/zinc/66/48/51/1328664851.db2.gz ZFZRNLXZPTVGIY-RBUKOAKNSA-N 2 0 329.488 3.287 10 0 EGAERP C[NH+](C)Cc1ccc(NC(=O)C2(C[NH+](C)C)CC2)cc1C(F)(F)F ZINC000899671860 1317129299 /nfs/dbraw/zinc/12/92/99/1317129299.db2.gz GFYBYDUYCKEZDJ-UHFFFAOYSA-N 2 0 343.393 3.047 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000858164237 1328700826 /nfs/dbraw/zinc/70/08/26/1328700826.db2.gz UOKRGPLFVBKMJO-GJZGRUSLSA-N 2 0 330.394 3.201 10 0 EGAERP C[NH+](C)C1(C)CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000913392409 1319023760 /nfs/dbraw/zinc/02/37/60/1319023760.db2.gz CWPMLRSSYGMTLO-UHFFFAOYSA-N 2 0 343.515 3.229 10 0 EGAERP C[N@H+](CCC1(C(=O)OC(C)(C)C)CCC1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000930461447 1328862750 /nfs/dbraw/zinc/86/27/50/1328862750.db2.gz XEFZOEVTPNPBGA-SJPCQFCGSA-N 2 0 336.520 3.446 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1csc(-c2ccn(C)n2)n1 ZINC000921536353 1322344859 /nfs/dbraw/zinc/34/48/59/1322344859.db2.gz OYGCSDLFUHUVCC-OAHLLOKOSA-N 2 0 347.532 3.288 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c3c(nn2C)CCC3)c1 ZINC000921550927 1322349262 /nfs/dbraw/zinc/34/92/62/1322349262.db2.gz ZOELBZNCWKRKBS-UHFFFAOYSA-N 2 0 326.488 3.040 10 0 EGAERP CCCC[N@H+](C[C@@H]1C[C@@H]2COC[C@@H]2O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033554 1329033621 /nfs/dbraw/zinc/03/36/21/1329033621.db2.gz IESVFCZPFUDLDE-NJAFHUGGSA-N 2 0 338.536 3.202 10 0 EGAERP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451852 1322754456 /nfs/dbraw/zinc/75/44/56/1322754456.db2.gz PYGUPEFUCQPLFB-OAHLLOKOSA-N 2 0 347.484 3.041 10 0 EGAERP [NH3+]CC[C@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000923482162 1322759686 /nfs/dbraw/zinc/75/96/86/1322759686.db2.gz CGTCTWGXOGLQRX-LBPRGKRZSA-N 2 0 334.261 3.168 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000924631585 1323083902 /nfs/dbraw/zinc/08/39/02/1323083902.db2.gz IGCZUWBMTMMBII-KRWDZBQOSA-N 2 0 349.588 3.345 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1csc(C(F)(F)F)c1 ZINC000924658884 1323098562 /nfs/dbraw/zinc/09/85/62/1323098562.db2.gz NITHEKJFUNMKGB-ZDUSSCGKSA-N 2 0 349.466 3.445 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000924660129 1323099153 /nfs/dbraw/zinc/09/91/53/1323099153.db2.gz NTCKEFDPJNXFGC-UHFFFAOYSA-N 2 0 347.572 3.317 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(-n3cnnc3)c2)CC1 ZINC000924953844 1323227124 /nfs/dbraw/zinc/22/71/24/1323227124.db2.gz DTXVFAWTYDOBLG-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+]C2CC3(C2)COC(C)(C)C3)cc1 ZINC000924970923 1323233865 /nfs/dbraw/zinc/23/38/65/1323233865.db2.gz UWXFPXWEDFOABO-UHFFFAOYSA-N 2 0 346.515 3.107 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC4CCC3CC4)cc2)CC1 ZINC000924970489 1323233883 /nfs/dbraw/zinc/23/38/83/1323233883.db2.gz OVWMEMCWYLNUMD-VFIGECHUSA-N 2 0 328.500 3.312 10 0 EGAERP Cc1ncc(C[NH+](C)[C@H]2CC[C@H]([N@H+](C)Cc3cnc(C)o3)CC2)o1 ZINC000931737057 1329174954 /nfs/dbraw/zinc/17/49/54/1329174954.db2.gz FQUHUWRRRUVVID-WKILWMFISA-N 2 0 332.448 3.154 10 0 EGAERP CCOc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)ccc1OC(F)F ZINC000925477270 1325167491 /nfs/dbraw/zinc/16/74/91/1325167491.db2.gz PTBWROMYJIPYCM-CABCVRRESA-N 2 0 326.387 3.046 10 0 EGAERP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1OC ZINC000925488254 1325174435 /nfs/dbraw/zinc/17/44/35/1325174435.db2.gz ITUASHMKHUALMA-QZTJIDSGSA-N 2 0 332.488 3.352 10 0 EGAERP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1OC ZINC000925488253 1325174485 /nfs/dbraw/zinc/17/44/85/1325174485.db2.gz ITUASHMKHUALMA-MSOLQXFVSA-N 2 0 332.488 3.352 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c(OC)c1 ZINC000925513757 1325185777 /nfs/dbraw/zinc/18/57/77/1325185777.db2.gz AUKIGKMJQMZGRZ-RBUKOAKNSA-N 2 0 332.488 3.004 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512936 1325185914 /nfs/dbraw/zinc/18/59/14/1325185914.db2.gz CXXWNHIEFJJFPX-KCPJHIHWSA-N 2 0 339.277 3.076 10 0 EGAERP CN(C)c1ccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518364 1325187355 /nfs/dbraw/zinc/18/73/55/1325187355.db2.gz QEHFGABXSUFSOB-SJLPKXTDSA-N 2 0 344.547 3.217 10 0 EGAERP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1OC ZINC000925544373 1325200281 /nfs/dbraw/zinc/20/02/81/1325200281.db2.gz QLRFGVRTYIBXEY-MSOLQXFVSA-N 2 0 332.488 3.352 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565227 1325212145 /nfs/dbraw/zinc/21/21/45/1325212145.db2.gz YLGPRENPNMZXHC-AZUAARDMSA-N 2 0 329.532 3.455 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C12CCC2 ZINC000925584302 1325221038 /nfs/dbraw/zinc/22/10/38/1325221038.db2.gz KUXOBGBCSPZVOM-SJORKVTESA-N 2 0 334.891 3.248 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000925601699 1325228889 /nfs/dbraw/zinc/22/88/89/1325228889.db2.gz NCVRZTBQNAFZSF-GJZGRUSLSA-N 2 0 348.878 3.428 10 0 EGAERP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C12CCC2 ZINC000925637881 1325242495 /nfs/dbraw/zinc/24/24/95/1325242495.db2.gz UKUNSDOHBGYIIW-QSUVIHHLSA-N 2 0 339.527 3.147 10 0 EGAERP CCN(CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)CCC(F)(F)F ZINC000925649707 1325247320 /nfs/dbraw/zinc/24/73/20/1325247320.db2.gz IBYJKLPJZAPTDT-CVEARBPZSA-N 2 0 335.458 3.019 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C1 ZINC000925652777 1325249325 /nfs/dbraw/zinc/24/93/25/1325249325.db2.gz ANGVNVVXHQTQBI-CHWSQXEVSA-N 2 0 331.382 3.018 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925677048 1325259145 /nfs/dbraw/zinc/25/91/45/1325259145.db2.gz MZVOXQJQGVPOHD-HOTGVXAUSA-N 2 0 341.421 3.401 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CC1 ZINC000925814609 1325314103 /nfs/dbraw/zinc/31/41/03/1325314103.db2.gz KJGBXYHAZGLYNN-KRWDZBQOSA-N 2 0 341.421 3.169 10 0 EGAERP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816361 1325314990 /nfs/dbraw/zinc/31/49/90/1325314990.db2.gz FLVYVXJBZFAOSL-MRXNPFEDSA-N 2 0 342.531 3.237 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)c(Cl)c1 ZINC000925847533 1325328455 /nfs/dbraw/zinc/32/84/55/1325328455.db2.gz YTLVOQMDLRHNJJ-CQSZACIVSA-N 2 0 327.875 3.205 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3cc(Br)ccc32)C1 ZINC000925875258 1325338469 /nfs/dbraw/zinc/33/84/69/1325338469.db2.gz DVIOIAIRZJNJKT-NJZAAPMLSA-N 2 0 339.277 3.380 10 0 EGAERP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c(OC)c1 ZINC000925888498 1325344653 /nfs/dbraw/zinc/34/46/53/1325344653.db2.gz UYWMWQUGBFWHKV-CEQIKUNHSA-N 2 0 340.467 3.414 10 0 EGAERP CC[NH+](CC)CCOCC[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000926150292 1325449144 /nfs/dbraw/zinc/44/91/44/1325449144.db2.gz JRNAXJRIVCMQSR-INIZCTEOSA-N 2 0 325.884 3.060 10 0 EGAERP C[C@@H]1[C@H](NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000926337344 1325519329 /nfs/dbraw/zinc/51/93/29/1325519329.db2.gz NZKICEXSAFYFKO-WYNBGMTASA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H]1CC2(CC([NH2+]C[C@]3(C)CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926350745 1325523980 /nfs/dbraw/zinc/52/39/80/1325523980.db2.gz GMZVZXVLRWEATG-AFVILVPDSA-N 2 0 328.500 3.446 10 0 EGAERP CSC1(C[NH2+][C@H]2CCC[C@@H]2Cc2ccccn2)CC[NH+](C)CC1 ZINC000926447930 1325558533 /nfs/dbraw/zinc/55/85/33/1325558533.db2.gz IRUSPAUEUSQAIO-AEFFLSMTSA-N 2 0 333.545 3.210 10 0 EGAERP C[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc2c1OCO2 ZINC000926636175 1327646682 /nfs/dbraw/zinc/64/66/82/1327646682.db2.gz SRVPQJOLIFIBII-WDYCEAGBSA-N 2 0 338.451 3.411 10 0 EGAERP CC[C@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(OC)n1 ZINC000926636614 1327646804 /nfs/dbraw/zinc/64/68/04/1327646804.db2.gz VZBUPCFXOZBFRH-QYZOEREBSA-N 2 0 339.483 3.476 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C)C2)CO1 ZINC000926777572 1327711233 /nfs/dbraw/zinc/71/12/33/1327711233.db2.gz KGVMKIKEFSOUIO-NZORSZKFSA-N 2 0 328.500 3.302 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC(C)([NH+](C)C)CC2)n(C)n1 ZINC000926794667 1327720559 /nfs/dbraw/zinc/72/05/59/1327720559.db2.gz AJGQBFDNLIKCBX-YMPIPDKKSA-N 2 0 332.536 3.292 10 0 EGAERP CCN1CC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926857597 1327742376 /nfs/dbraw/zinc/74/23/76/1327742376.db2.gz FKNCEOZUVKCBQK-VTHDOGFWSA-N 2 0 327.516 3.256 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCC3(CCC3)O2)[C@H](C)C1 ZINC000927015563 1327821545 /nfs/dbraw/zinc/82/15/45/1327821545.db2.gz JIVZZHJGEAACCP-QYZOEREBSA-N 2 0 338.536 3.205 10 0 EGAERP C[C@H]([NH2+][C@H](C1CC1)[C@H]1CCCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000927067761 1327839400 /nfs/dbraw/zinc/83/94/00/1327839400.db2.gz FFHJLLNNOPCEHU-NBHGPNQESA-N 2 0 346.515 3.483 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]Cc2cnc(Cl)c(F)c2)ccc1F ZINC000865465252 1329700965 /nfs/dbraw/zinc/70/09/65/1329700965.db2.gz XBCINZHTYPBEDC-UHFFFAOYSA-N 2 0 325.790 3.365 10 0 EGAERP CC(C)n1ncnc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865718262 1329732282 /nfs/dbraw/zinc/73/22/82/1329732282.db2.gz XAKJOJRJGAHABE-UHFFFAOYSA-N 2 0 341.503 3.251 10 0 EGAERP COc1cc2c(c(C[NH2+]C3CCC(C)([NH+](C)C)CC3)c1)O[C@@H](C)C2 ZINC000865765943 1329736450 /nfs/dbraw/zinc/73/64/50/1329736450.db2.gz TWGBDYTUNVYYQX-JTOQLSFASA-N 2 0 332.488 3.371 10 0 EGAERP Cn1ncc(C2CC2)c1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865775102 1329737156 /nfs/dbraw/zinc/73/71/56/1329737156.db2.gz QRFMQCDNTXGUMZ-UHFFFAOYSA-N 2 0 338.499 3.051 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1OC ZINC000866517076 1330120962 /nfs/dbraw/zinc/12/09/62/1330120962.db2.gz VZLJAFNVPIXSAA-FVWXCPNNSA-N 2 0 334.504 3.487 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1)c1ccc(F)cc1 ZINC000866703587 1330142538 /nfs/dbraw/zinc/14/25/38/1330142538.db2.gz KFWJXEZYBCVPCG-AVYPCKFXSA-N 2 0 349.494 3.088 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001323163390 1387304958 /nfs/dbraw/zinc/30/49/58/1387304958.db2.gz TYNBTRKPBISBAY-RLWBPELLSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001323471886 1387374037 /nfs/dbraw/zinc/37/40/37/1387374037.db2.gz HDIFNVFSXRDYIY-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CCC[NH+](C)C)CC1 ZINC001323693807 1387422975 /nfs/dbraw/zinc/42/29/75/1387422975.db2.gz RWEUTLOMTKVTOT-TUNPWDSISA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CCCC[NH+](C)C ZINC001324097606 1387540336 /nfs/dbraw/zinc/54/03/36/1387540336.db2.gz LNHBZXAXWCLNDB-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001324100402 1387542510 /nfs/dbraw/zinc/54/25/10/1387542510.db2.gz XGQQSPAPPLIMAE-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP O=C(N1CCC[C@H]1C[NH2+]CCC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001324186966 1387553365 /nfs/dbraw/zinc/55/33/65/1387553365.db2.gz NKXGDYCRTFZIKI-IBGZPJMESA-N 2 0 347.547 3.166 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1)CC(C)(C)C ZINC001324224533 1387561825 /nfs/dbraw/zinc/56/18/25/1387561825.db2.gz CETBIKBKEXVKDV-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001324484502 1387643162 /nfs/dbraw/zinc/64/31/62/1387643162.db2.gz VVWPCDZNEHTVCD-OALUTQOASA-N 2 0 337.552 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CCCC1 ZINC001324493301 1387645910 /nfs/dbraw/zinc/64/59/10/1387645910.db2.gz ASMGLAQJNAAKSD-VQTJNVASSA-N 2 0 347.547 3.236 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCC2CCCC2)C2CCCC2)C1 ZINC001324511230 1387657439 /nfs/dbraw/zinc/65/74/39/1387657439.db2.gz ZDZVLVSKYXRHHM-UYAOXDASSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCC1 ZINC001324517152 1387658247 /nfs/dbraw/zinc/65/82/47/1387658247.db2.gz DMGLSNHUCSEEGR-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCC1 ZINC001324517149 1387658474 /nfs/dbraw/zinc/65/84/74/1387658474.db2.gz DMGLSNHUCSEEGR-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001324640967 1387713582 /nfs/dbraw/zinc/71/35/82/1387713582.db2.gz HCCHCACPIJURNF-UYAOXDASSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001324647784 1387717684 /nfs/dbraw/zinc/71/76/84/1387717684.db2.gz QNVGYARTQQKWNV-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001324727249 1387754021 /nfs/dbraw/zinc/75/40/21/1387754021.db2.gz GLKAFIRARVSDKR-SJVRRUCOSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001324886135 1387806697 /nfs/dbraw/zinc/80/66/97/1387806697.db2.gz HQJWPYKYGBAXMI-SFHVURJKSA-N 2 0 345.531 3.226 10 0 EGAERP c1c(CNC[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001202227842 1369718217 /nfs/dbraw/zinc/71/82/17/1369718217.db2.gz PDCLIUYAAWDOOT-GOSISDBHSA-N 2 0 347.466 3.083 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC001325919792 1388084197 /nfs/dbraw/zinc/08/41/97/1388084197.db2.gz IWHCDVKTAHFTML-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001325942135 1388093177 /nfs/dbraw/zinc/09/31/77/1388093177.db2.gz HEGPPJBLBNGCEQ-XUVXKRRUSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CC[C@@]2(CC[NH+](CCc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001326129254 1388117462 /nfs/dbraw/zinc/11/74/62/1388117462.db2.gz QCHPCWPGQXNPPA-MRXNPFEDSA-N 2 0 328.378 3.155 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCC3)C2)CC1 ZINC001326378698 1388170822 /nfs/dbraw/zinc/17/08/22/1388170822.db2.gz ABBYXJJZOBAZNP-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[C@H]1[NH3+] ZINC001326408796 1388180363 /nfs/dbraw/zinc/18/03/63/1388180363.db2.gz OMZXYDYZAABAJF-LSTHTHJFSA-N 2 0 343.515 3.195 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001326437360 1388188409 /nfs/dbraw/zinc/18/84/09/1388188409.db2.gz LRHOPDIQTSAIAU-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]CCCF)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001326478309 1388206898 /nfs/dbraw/zinc/20/68/98/1388206898.db2.gz ATFVDVSDOXKEQF-MRXNPFEDSA-N 2 0 349.494 3.045 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001326512637 1388225336 /nfs/dbraw/zinc/22/53/36/1388225336.db2.gz JLNRJELRKGLSSW-VJANTYMQSA-N 2 0 337.552 3.170 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001326555445 1388238015 /nfs/dbraw/zinc/23/80/15/1388238015.db2.gz ROSPLWYSJDPZHP-VJANTYMQSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001326736603 1388295125 /nfs/dbraw/zinc/29/51/25/1388295125.db2.gz SWJSPRPHWOUZBF-YSIASYRMSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)[NH+]1CCCCCC1 ZINC001326900386 1388343693 /nfs/dbraw/zinc/34/36/93/1388343693.db2.gz SBGKSOKVFDMTCM-GOSISDBHSA-N 2 0 347.547 3.380 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001326912936 1388348153 /nfs/dbraw/zinc/34/81/53/1388348153.db2.gz DSTJBMZJYFDAAS-PJHKVULZSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001327148919 1388406023 /nfs/dbraw/zinc/40/60/23/1388406023.db2.gz WIYZPIZEDDGAAK-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265707712 1377163260 /nfs/dbraw/zinc/16/32/60/1377163260.db2.gz FAJSAPOBRUAUAN-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1c(C(=O)NC2CCC([NH2+]CCC(C)C)CC2)ccc2c[nH+]cn21 ZINC001265736406 1377164301 /nfs/dbraw/zinc/16/43/01/1377164301.db2.gz SPPLSZSEWICZDJ-UHFFFAOYSA-N 2 0 342.487 3.319 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001266143651 1377206509 /nfs/dbraw/zinc/20/65/09/1377206509.db2.gz SRFYVEDBHNMQLY-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CCC1CCCCC1)C1CC1 ZINC001266145380 1377206935 /nfs/dbraw/zinc/20/69/35/1377206935.db2.gz RVECKPAXTOSXKE-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001266234681 1377241021 /nfs/dbraw/zinc/24/10/21/1377241021.db2.gz IZDPSULEPNMSGW-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001266853143 1377394572 /nfs/dbraw/zinc/39/45/72/1377394572.db2.gz GODLTMCFVNVGCD-BGEOSOQGSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001267831527 1377473362 /nfs/dbraw/zinc/47/33/62/1377473362.db2.gz RGFPBPOCWOTFOC-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001268194792 1377491145 /nfs/dbraw/zinc/49/11/45/1377491145.db2.gz XNZUUOJLWWEDIG-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001268589946 1377513499 /nfs/dbraw/zinc/51/34/99/1377513499.db2.gz AIHPRZSZIDHURA-LKGOPFMKSA-N 2 0 345.531 3.296 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC1CCC1 ZINC001269681593 1377563745 /nfs/dbraw/zinc/56/37/45/1377563745.db2.gz PEBNSDIUTGSFOU-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001269730542 1377566978 /nfs/dbraw/zinc/56/69/78/1377566978.db2.gz RDSQUZDTTIOSPZ-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001269787314 1377571727 /nfs/dbraw/zinc/57/17/27/1377571727.db2.gz ZJEFZTDKVGHQIL-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001271585442 1377641297 /nfs/dbraw/zinc/64/12/97/1377641297.db2.gz OHFZZFOYAPSJFC-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001272465727 1378074339 /nfs/dbraw/zinc/07/43/39/1378074339.db2.gz JHWXLARCTPKGOJ-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413815 1378124241 /nfs/dbraw/zinc/12/42/41/1378124241.db2.gz ORXGEMUXQBUGAZ-RTRPANQVSA-N 2 0 349.544 3.083 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1CCC2(CC2)CC1)C(=O)C[NH+]1CCCC1 ZINC001275742529 1378155720 /nfs/dbraw/zinc/15/57/20/1378155720.db2.gz ZPBZSFAZEGEQIK-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001275768224 1378156236 /nfs/dbraw/zinc/15/62/36/1378156236.db2.gz NTLWBZQFSFPFEQ-ZBKUBXTQSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC001141063742 1378225332 /nfs/dbraw/zinc/22/53/32/1378225332.db2.gz CBENDDNAMURHHY-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001327529554 1388551249 /nfs/dbraw/zinc/55/12/49/1388551249.db2.gz IPUNXWCIAHHJOE-PZJWPPBQSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC1CCC(C)CC1 ZINC001281968816 1378465757 /nfs/dbraw/zinc/46/57/57/1378465757.db2.gz PFEXEIQGZDHUEW-ACBHZAAOSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001282129993 1378478718 /nfs/dbraw/zinc/47/87/18/1378478718.db2.gz VRLZACZURQMEOL-QZTJIDSGSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282666956 1378539280 /nfs/dbraw/zinc/53/92/80/1378539280.db2.gz VBAPZUILVPYWJB-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001282682315 1378555870 /nfs/dbraw/zinc/55/58/70/1378555870.db2.gz OPLLPNZLLJWIHS-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001282833820 1378634666 /nfs/dbraw/zinc/63/46/66/1378634666.db2.gz NVTTVGPYKLYPNA-IEBWSBKVSA-N 2 0 345.531 3.223 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001283351573 1378837348 /nfs/dbraw/zinc/83/73/48/1378837348.db2.gz XSZUHEBUJZYZTD-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001327694758 1388584499 /nfs/dbraw/zinc/58/44/99/1388584499.db2.gz CALYZWCYGAMPJR-IAGOWNOFSA-N 2 0 343.515 3.006 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283623935 1379061438 /nfs/dbraw/zinc/06/14/38/1379061438.db2.gz XRKLRIADZUBSOH-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001283714881 1379138274 /nfs/dbraw/zinc/13/82/74/1379138274.db2.gz PYPKQDMKVOUIRY-ZWKOTPCHSA-N 2 0 345.531 3.403 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001283938497 1379287537 /nfs/dbraw/zinc/28/75/37/1379287537.db2.gz IOZRIYSFJWDQBV-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001284014993 1379363933 /nfs/dbraw/zinc/36/39/33/1379363933.db2.gz DDLFAZVCKVZYJX-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284059839 1379413163 /nfs/dbraw/zinc/41/31/63/1379413163.db2.gz YEKKGYIODIWHNG-SFHLNBCPSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001327878840 1388612535 /nfs/dbraw/zinc/61/25/35/1388612535.db2.gz CUZHUDPENMEQEL-ZYHOBAKYSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001327957060 1388633216 /nfs/dbraw/zinc/63/32/16/1388633216.db2.gz HRARIKURCURHMW-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)CC1CCC(C)CC1)C(C)C)[NH+](C)C ZINC001284553590 1379961445 /nfs/dbraw/zinc/96/14/45/1379961445.db2.gz PXTCJRLETLLNGC-ACBHZAAOSA-N 2 0 339.568 3.322 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001284558484 1379967478 /nfs/dbraw/zinc/96/74/78/1379967478.db2.gz MPDQEAOOSQAQTD-FUHWJXTLSA-N 2 0 349.494 3.007 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597599 1379998808 /nfs/dbraw/zinc/99/88/08/1379998808.db2.gz IVQQYDUVDKOFPH-MOPGFXCFSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CCC1 ZINC001284600063 1380001148 /nfs/dbraw/zinc/00/11/48/1380001148.db2.gz YPQUOXBRGJVOLG-QGZVFWFLSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1 ZINC001327990500 1388639896 /nfs/dbraw/zinc/63/98/96/1388639896.db2.gz GAKNCVZRRXHCSJ-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C)[NH+]1CCCC1 ZINC001284652601 1380067074 /nfs/dbraw/zinc/06/70/74/1380067074.db2.gz KRQJBAMLUZKITD-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001284781343 1380204614 /nfs/dbraw/zinc/20/46/14/1380204614.db2.gz PQSHYXYMWSGSCN-AOCRQIFASA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328084592 1388666879 /nfs/dbraw/zinc/66/68/79/1388666879.db2.gz YZTKTUSRXNWYPE-LKGOPFMKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001328266329 1388704361 /nfs/dbraw/zinc/70/43/61/1388704361.db2.gz IQRWWQKHSUNKJT-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001290351286 1382084279 /nfs/dbraw/zinc/08/42/79/1382084279.db2.gz NWZOLJSBDKEICI-HXUWFJFHSA-N 2 0 343.515 3.019 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001297931141 1383295773 /nfs/dbraw/zinc/29/57/73/1383295773.db2.gz WUSKUCSUDLUXJC-QGZVFWFLSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H]2CC[NH+](CC=C(C)C)C2)C1 ZINC001328805409 1388872089 /nfs/dbraw/zinc/87/20/89/1388872089.db2.gz FBHYQICKUYHKGX-UXHICEINSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001302852464 1383771049 /nfs/dbraw/zinc/77/10/49/1383771049.db2.gz NIWRKOCMTDKWIQ-UYAOXDASSA-N 2 0 345.531 3.087 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CC[C@@H]3C[C@H]3C3CC3)C2)ccn1 ZINC001307955026 1384063241 /nfs/dbraw/zinc/06/32/41/1384063241.db2.gz OWKLAJODDRPPNH-QMMLZNLJSA-N 2 0 343.515 3.423 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H]2CN(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001316609990 1384480009 /nfs/dbraw/zinc/48/00/09/1384480009.db2.gz GQFLPXDHQBGSPE-MHJFOBGBSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316610912 1384480653 /nfs/dbraw/zinc/48/06/53/1384480653.db2.gz MMMVJHWAZCIANY-PXDRNWIDSA-N 2 0 343.515 3.251 10 0 EGAERP CCCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316717465 1384536056 /nfs/dbraw/zinc/53/60/56/1384536056.db2.gz SMYSJLMGZWIQPE-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001316772160 1384570844 /nfs/dbraw/zinc/57/08/44/1384570844.db2.gz IHAJMVIKUKQDEK-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001316806337 1384598562 /nfs/dbraw/zinc/59/85/62/1384598562.db2.gz GDXYBDGKMXEVMM-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001316812470 1384611336 /nfs/dbraw/zinc/61/13/36/1384611336.db2.gz WTGZTSWWVRYRPS-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316830990 1384623631 /nfs/dbraw/zinc/62/36/31/1384623631.db2.gz VQPBHGSAHYNLLF-SFHVURJKSA-N 2 0 349.494 3.199 10 0 EGAERP CN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001316934408 1384705293 /nfs/dbraw/zinc/70/52/93/1384705293.db2.gz OZHPTIJSXJRANN-UHFFFAOYSA-N 2 0 347.547 3.284 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001316942373 1384713332 /nfs/dbraw/zinc/71/33/32/1384713332.db2.gz BRUVRZGZBNXRDO-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001316995287 1384752711 /nfs/dbraw/zinc/75/27/11/1384752711.db2.gz VGWZAARMHBRSLA-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317004358 1384764132 /nfs/dbraw/zinc/76/41/32/1384764132.db2.gz UWJIWUGTCPOLMO-GHOSXJJBSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030572 1384797760 /nfs/dbraw/zinc/79/77/60/1384797760.db2.gz UZNUNIBGPQHNLF-XLIONFOSSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)C/C=C\Cl)C1)[NH+](CC)CC ZINC001317040756 1384813353 /nfs/dbraw/zinc/81/33/53/1384813353.db2.gz GACFFQHRESUXMT-AITIYTRBSA-N 2 0 343.943 3.030 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC2CCCCC2)C1 ZINC001317041294 1384814594 /nfs/dbraw/zinc/81/45/94/1384814594.db2.gz AZGJFYWVEGFNJJ-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CCCC3CCC3)C2)C1 ZINC001317042946 1384816860 /nfs/dbraw/zinc/81/68/60/1384816860.db2.gz LNVUGHCUYCRVDM-ICSRJNTNSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317059763 1384832408 /nfs/dbraw/zinc/83/24/08/1384832408.db2.gz YTCJSMGHTPZDRC-OXUXSNCKSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001317084702 1384847568 /nfs/dbraw/zinc/84/75/68/1384847568.db2.gz VTCNCMSWNYMBAQ-KZNAEPCWSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317099423 1384862538 /nfs/dbraw/zinc/86/25/38/1384862538.db2.gz DFLZQYMLMVBSCT-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCCC3)CC[C@H]21 ZINC001317106213 1384870519 /nfs/dbraw/zinc/87/05/19/1384870519.db2.gz SNSPYVNIUSXLQF-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001317140782 1384909292 /nfs/dbraw/zinc/90/92/92/1384909292.db2.gz QYBZYKGZAUSHAB-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001317186109 1384960988 /nfs/dbraw/zinc/96/09/88/1384960988.db2.gz HZOCHYYKJSZUKS-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001317190202 1384963807 /nfs/dbraw/zinc/96/38/07/1384963807.db2.gz NNCGUDLXTXIDJN-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC1=CCCCC1 ZINC001317243887 1385017048 /nfs/dbraw/zinc/01/70/48/1385017048.db2.gz YRXKZQWJKKDSGF-QGZVFWFLSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001317247093 1385019645 /nfs/dbraw/zinc/01/96/45/1385019645.db2.gz ZJTIWQIQXJUTTQ-AWEZNQCLSA-N 2 0 349.544 3.098 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001317259518 1385029486 /nfs/dbraw/zinc/02/94/86/1385029486.db2.gz LQKLVNDEHCTOEK-IEBWSBKVSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317267173 1385036411 /nfs/dbraw/zinc/03/64/11/1385036411.db2.gz VYROIOLWFVQZGB-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001317284868 1385056672 /nfs/dbraw/zinc/05/66/72/1385056672.db2.gz YPVCLIMIPVOBGD-IRXDYDNUSA-N 2 0 343.515 3.061 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317359788 1385103871 /nfs/dbraw/zinc/10/38/71/1385103871.db2.gz PUUFMMAFQQFIJD-IAGOWNOFSA-N 2 0 340.471 3.240 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317361507 1385104250 /nfs/dbraw/zinc/10/42/50/1385104250.db2.gz USWBAUUABRNZIJ-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001317383880 1385108673 /nfs/dbraw/zinc/10/86/73/1385108673.db2.gz QICDDNPDGSSTKL-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001317406590 1385118965 /nfs/dbraw/zinc/11/89/65/1385118965.db2.gz DKEZTNRUBDRINK-IRXDYDNUSA-N 2 0 349.494 3.075 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001317414972 1385125379 /nfs/dbraw/zinc/12/53/79/1385125379.db2.gz GIPZRYCCGQXLKV-AZUAARDMSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001317415908 1385125971 /nfs/dbraw/zinc/12/59/71/1385125971.db2.gz PGZCNSQURXLBHQ-ROUUACIJSA-N 2 0 333.520 3.189 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC1 ZINC001317430956 1385135590 /nfs/dbraw/zinc/13/55/90/1385135590.db2.gz CSHGOUMTTWBQBG-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CCCCCC1 ZINC001317449109 1385149444 /nfs/dbraw/zinc/14/94/44/1385149444.db2.gz ISWMIMRQSKWPHV-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001317490614 1385190717 /nfs/dbraw/zinc/19/07/17/1385190717.db2.gz CLQWUYLFDJQQDA-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001317500653 1385201891 /nfs/dbraw/zinc/20/18/91/1385201891.db2.gz BASQKAKMWBSLPN-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317512058 1385224513 /nfs/dbraw/zinc/22/45/13/1385224513.db2.gz XCMFRCAONHPODZ-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001317636926 1385368029 /nfs/dbraw/zinc/36/80/29/1385368029.db2.gz SSZJFEGJGHVTIZ-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CC2(CCC2)C1 ZINC001317693066 1385401678 /nfs/dbraw/zinc/40/16/78/1385401678.db2.gz GYIJRNYCTYCSPE-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001317798730 1385493368 /nfs/dbraw/zinc/49/33/68/1385493368.db2.gz XSVMRUKSLLNDJC-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317842550 1385528491 /nfs/dbraw/zinc/52/84/91/1385528491.db2.gz UDKZIINIHOMHNL-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317842447 1385528709 /nfs/dbraw/zinc/52/87/09/1385528709.db2.gz RIEVUSNMDXJWQY-KRWDZBQOSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317842551 1385529026 /nfs/dbraw/zinc/52/90/26/1385529026.db2.gz UDKZIINIHOMHNL-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317861867 1385546104 /nfs/dbraw/zinc/54/61/04/1385546104.db2.gz FFDIDENLEJXPBG-PXIXMTEYSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317974978 1385594896 /nfs/dbraw/zinc/59/48/96/1385594896.db2.gz FXXPPXJTWPWCBZ-KRWDZBQOSA-N 2 0 337.552 3.410 10 0 EGAERP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001318485102 1385717960 /nfs/dbraw/zinc/71/79/60/1385717960.db2.gz OMIQAEVMUQCZHP-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524805 1385734736 /nfs/dbraw/zinc/73/47/36/1385734736.db2.gz PSYQFUJHRYRWCL-PMACEKPBSA-N 2 0 345.531 3.161 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318608168 1385792686 /nfs/dbraw/zinc/79/26/86/1385792686.db2.gz UXGCSQSFIKSRAO-UXHICEINSA-N 2 0 345.531 3.108 10 0 EGAERP CCc1ccccc1C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001318983188 1385908722 /nfs/dbraw/zinc/90/87/22/1385908722.db2.gz FPWANQQMCCDLJI-MXVIHJGJSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001319285039 1386042619 /nfs/dbraw/zinc/04/26/19/1386042619.db2.gz JDXRSGRDNDZIIC-LSDHHAIUSA-N 2 0 339.911 3.083 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)C)CCCC1 ZINC001319389184 1386098480 /nfs/dbraw/zinc/09/84/80/1386098480.db2.gz ITNQALRQPAHSEM-SFHVURJKSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)cc1 ZINC001319472817 1386137167 /nfs/dbraw/zinc/13/71/67/1386137167.db2.gz LHRVEWZPVAELSX-KRWDZBQOSA-N 2 0 345.531 3.231 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001319594353 1386196050 /nfs/dbraw/zinc/19/60/50/1386196050.db2.gz UIMJINKCDHAROI-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001319649117 1386231943 /nfs/dbraw/zinc/23/19/43/1386231943.db2.gz VWIDHTFCMIZKII-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCC1)C1CCCCC1 ZINC001319649594 1386232942 /nfs/dbraw/zinc/23/29/42/1386232942.db2.gz ZNNVNFLHVVVAJY-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C2CCCCC2)CC[N@@H+]1C ZINC001319658847 1386238704 /nfs/dbraw/zinc/23/87/04/1386238704.db2.gz BQGWIZURVLAVSM-FFZOFVMBSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319749589 1386279779 /nfs/dbraw/zinc/27/97/79/1386279779.db2.gz GURGHTDWINEPHM-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001319788448 1386296228 /nfs/dbraw/zinc/29/62/28/1386296228.db2.gz NSFDWRKDHQZLAS-MJGOQNOKSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CC2)CC1 ZINC001319788856 1386296959 /nfs/dbraw/zinc/29/69/59/1386296959.db2.gz UPDRHUATLCVCPA-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001319864176 1386343359 /nfs/dbraw/zinc/34/33/59/1386343359.db2.gz MSCTZLQTAMHWLY-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CC(C)(C)C2)C2CC2)CC[N@@H+]1C ZINC001698642899 1406291037 /nfs/dbraw/zinc/29/10/37/1406291037.db2.gz KFGFKWMBFARTII-WAOWUJCRSA-N 2 0 349.563 3.027 10 0 EGAERP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC(C)CC1 ZINC001319919499 1386392071 /nfs/dbraw/zinc/39/20/71/1386392071.db2.gz VSSUACDAGWVLLX-ABHNRTSZSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001319935889 1386402546 /nfs/dbraw/zinc/40/25/46/1386402546.db2.gz MPFOWURODMTEHM-OALUTQOASA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001319936945 1386403176 /nfs/dbraw/zinc/40/31/76/1386403176.db2.gz SFAZSCYGWHEPEJ-YTQUADARSA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C)[NH+](C)C ZINC001319955028 1386414960 /nfs/dbraw/zinc/41/49/60/1386414960.db2.gz BTWVIEQDZPUXEF-ZWKOTPCHSA-N 2 0 339.568 3.273 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@H]21 ZINC001320104292 1386515879 /nfs/dbraw/zinc/51/58/79/1386515879.db2.gz QHHKPXAIUDXZAM-WYTZPYIFSA-N 2 0 347.547 3.140 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001320104291 1386516226 /nfs/dbraw/zinc/51/62/26/1386516226.db2.gz QHHKPXAIUDXZAM-OANMOWAGSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001320150807 1386536869 /nfs/dbraw/zinc/53/68/69/1386536869.db2.gz LUQXBKUKUFJDLH-ICSRJNTNSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416815 1386604330 /nfs/dbraw/zinc/60/43/30/1386604330.db2.gz WMBYHFILKQKTQP-IAGOWNOFSA-N 2 0 325.541 3.170 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001320475684 1386620187 /nfs/dbraw/zinc/62/01/87/1386620187.db2.gz ZMUGIJISPJZNST-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320864297 1386742403 /nfs/dbraw/zinc/74/24/03/1386742403.db2.gz NJLRDBBNPSGGCE-UHFFFAOYSA-N 2 0 345.512 3.062 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001321419323 1386900513 /nfs/dbraw/zinc/90/05/13/1386900513.db2.gz OUSFCJPANYAUQZ-DDRDIHNTSA-N 2 0 343.515 3.192 10 0 EGAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001321661761 1386952477 /nfs/dbraw/zinc/95/24/77/1386952477.db2.gz BOJCWTOJQXTBGO-PBHHLJAZSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321847935 1386995575 /nfs/dbraw/zinc/99/55/75/1386995575.db2.gz CNWKVULYUXEUJM-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001322281522 1387137677 /nfs/dbraw/zinc/13/76/77/1387137677.db2.gz PWAFHVDNHVBRAC-HKUYNNGSSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001698704472 1406346219 /nfs/dbraw/zinc/34/62/19/1406346219.db2.gz PBYSEBIMNMDLRL-SFHVURJKSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001329244462 1389034813 /nfs/dbraw/zinc/03/48/13/1389034813.db2.gz YYCGXCQZRMSWGC-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1cc(C)c(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001329475279 1389123531 /nfs/dbraw/zinc/12/35/31/1389123531.db2.gz UZBSKHVRTZLZFQ-AZUAARDMSA-N 2 0 345.531 3.033 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCCC1)[NH+](C)C ZINC001329861342 1389238764 /nfs/dbraw/zinc/23/87/64/1389238764.db2.gz RAZODTNJQYGKDF-IBGZPJMESA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCCC1 ZINC001329936649 1389264961 /nfs/dbraw/zinc/26/49/61/1389264961.db2.gz IZZUFZLFZAFARQ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001329937661 1389266004 /nfs/dbraw/zinc/26/60/04/1389266004.db2.gz NNOZCVZVGDTEAH-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330086397 1389305538 /nfs/dbraw/zinc/30/55/38/1389305538.db2.gz QEIRTQLVUAVXPN-KQPGTDLCSA-N 2 0 349.563 3.290 10 0 EGAERP CC1CC(C[NH+]2CCC(CCNC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001698722782 1406369648 /nfs/dbraw/zinc/36/96/48/1406369648.db2.gz KXCUUVCRHADCHO-LYBXBRPPSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001330485613 1389427194 /nfs/dbraw/zinc/42/71/94/1389427194.db2.gz INARGPCLXLVTDU-UEKDZROGSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC001331088820 1389626462 /nfs/dbraw/zinc/62/64/62/1389626462.db2.gz XJWNHFWGBUMAJP-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001331491716 1389769740 /nfs/dbraw/zinc/76/97/40/1389769740.db2.gz OSFFPPMVPDREKQ-INIZCTEOSA-N 2 0 325.541 3.122 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001331491823 1389770152 /nfs/dbraw/zinc/77/01/52/1389770152.db2.gz WWORHSVSZJHFQB-VQIMIIECSA-N 2 0 347.547 3.261 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001331575261 1389807532 /nfs/dbraw/zinc/80/75/32/1389807532.db2.gz FBMVPLLMGDLHDL-IRXDYDNUSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCCCF)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001332031319 1389952441 /nfs/dbraw/zinc/95/24/41/1389952441.db2.gz KOLKOWUWCQCUKY-VQIMIIECSA-N 2 0 349.494 3.081 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccccc1)CC2 ZINC001332114787 1389992185 /nfs/dbraw/zinc/99/21/85/1389992185.db2.gz AISDXQKSNTVQCN-PZJWPPBQSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001332183695 1390025811 /nfs/dbraw/zinc/02/58/11/1390025811.db2.gz FEUYHZDIQUXLKW-QFBILLFUSA-N 2 0 342.487 3.416 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001332322662 1390086198 /nfs/dbraw/zinc/08/61/98/1390086198.db2.gz MOZJBRCNSQYGGG-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)[NH+](C)C ZINC001332809406 1390192109 /nfs/dbraw/zinc/19/21/09/1390192109.db2.gz YAINEQYFNHWVQW-IRXDYDNUSA-N 2 0 339.568 3.129 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C(C)(C)C)C1 ZINC001332897248 1390211469 /nfs/dbraw/zinc/21/14/69/1390211469.db2.gz ASVRGGVAWMMSRV-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001332960986 1390225668 /nfs/dbraw/zinc/22/56/68/1390225668.db2.gz QRRXWSFGVAABFW-IEBWSBKVSA-N 2 0 339.568 3.226 10 0 EGAERP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001332996384 1390233091 /nfs/dbraw/zinc/23/30/91/1390233091.db2.gz AGCFGNMDEXBKGL-KRWDZBQOSA-N 2 0 339.568 3.227 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333182120 1390263356 /nfs/dbraw/zinc/26/33/56/1390263356.db2.gz WKOSLZSEBFGPPV-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NCC1=CC[N@H+](CC2CCCC2)CC1 ZINC001333448994 1390307075 /nfs/dbraw/zinc/30/70/75/1390307075.db2.gz XEAYSZGQAJQUHI-UHFFFAOYSA-N 2 0 347.547 3.191 10 0 EGAERP CCO[C@@H](C(=O)Nc1c[nH+]ccc1-n1ccnc1C)C1CCCC1 ZINC001335507419 1390695786 /nfs/dbraw/zinc/69/57/86/1390695786.db2.gz REMRHVSKIYGDCK-QGZVFWFLSA-N 2 0 328.416 3.110 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698834621 1406529612 /nfs/dbraw/zinc/52/96/12/1406529612.db2.gz FHZKKGQCRVOFJR-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001354019179 1392115453 /nfs/dbraw/zinc/11/54/53/1392115453.db2.gz KUIPPRFKFLXESS-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479249161 1392199552 /nfs/dbraw/zinc/19/95/52/1392199552.db2.gz FCJQPHPFCITLQO-IEBWSBKVSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001479478890 1392252790 /nfs/dbraw/zinc/25/27/90/1392252790.db2.gz FOAUYFHOUNPWHL-XMLJFVSMSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CCC1CCCCC1 ZINC001479647452 1392306308 /nfs/dbraw/zinc/30/63/08/1392306308.db2.gz PJPIGENDTWUHFT-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001479685051 1392317880 /nfs/dbraw/zinc/31/78/80/1392317880.db2.gz AXAJUHSUMNMPCW-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001479724178 1392339496 /nfs/dbraw/zinc/33/94/96/1392339496.db2.gz BBAXBVRGELRFCN-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001479734165 1392345591 /nfs/dbraw/zinc/34/55/91/1392345591.db2.gz AJYGCWMVOSZJCG-VOFKWLDRSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC(C)(C)C1 ZINC001479748674 1392366654 /nfs/dbraw/zinc/36/66/54/1392366654.db2.gz ZXJBIORCPINCOK-LJQANCHMSA-N 2 0 345.531 3.134 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001479778810 1392383581 /nfs/dbraw/zinc/38/35/81/1392383581.db2.gz YBLCFSDPFJZOEJ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479830761 1392417306 /nfs/dbraw/zinc/41/73/06/1392417306.db2.gz RDIZDUKPCDODFW-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCC1 ZINC001479845060 1392426775 /nfs/dbraw/zinc/42/67/75/1392426775.db2.gz NLMKLQNWQMUTCY-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001480267249 1392650791 /nfs/dbraw/zinc/65/07/91/1392650791.db2.gz JKRZHZXEKQXVLY-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480276494 1392656950 /nfs/dbraw/zinc/65/69/50/1392656950.db2.gz MAIYCUMUGRPWSP-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001480412193 1392747695 /nfs/dbraw/zinc/74/76/95/1392747695.db2.gz BRIRYSZYXQTWCC-ACBHZAAOSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001480621072 1392824517 /nfs/dbraw/zinc/82/45/17/1392824517.db2.gz JVMYVXKDGCFKPF-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001480727365 1392889080 /nfs/dbraw/zinc/88/90/80/1392889080.db2.gz VBCQMEGMMSSPGS-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480828308 1392967565 /nfs/dbraw/zinc/96/75/65/1392967565.db2.gz ODNFQJWJOYTYTE-FHWLQOOXSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480832258 1392972389 /nfs/dbraw/zinc/97/23/89/1392972389.db2.gz VBSHIYHPACVRBE-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1)[NH+]1CCCC1 ZINC001698880358 1406608766 /nfs/dbraw/zinc/60/87/66/1406608766.db2.gz DZXNUOPZZBVQBZ-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CCCCC1 ZINC001481150539 1393135109 /nfs/dbraw/zinc/13/51/09/1393135109.db2.gz KKRYZAIIVCUEPM-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001481239604 1393152692 /nfs/dbraw/zinc/15/26/92/1393152692.db2.gz UFIRWFUZAVCPDW-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001481271951 1393155872 /nfs/dbraw/zinc/15/58/72/1393155872.db2.gz NCGLHKVYOVRFQA-IEZWGBDMSA-N 2 0 349.494 3.055 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001481279127 1393157232 /nfs/dbraw/zinc/15/72/32/1393157232.db2.gz FPLJXHYBXHKKBP-GOSISDBHSA-N 2 0 347.547 3.390 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001698895505 1406628424 /nfs/dbraw/zinc/62/84/24/1406628424.db2.gz YOGJWUVZTDJXNQ-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccc(C)c1 ZINC001698919550 1406654358 /nfs/dbraw/zinc/65/43/58/1406654358.db2.gz DZOGUVHOSOEOSC-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[NH+]2CCCC2)cs1 ZINC001698922074 1406657312 /nfs/dbraw/zinc/65/73/12/1406657312.db2.gz ABJJADFWMSRSRE-GOSISDBHSA-N 2 0 349.544 3.013 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001481361537 1394200539 /nfs/dbraw/zinc/20/05/39/1394200539.db2.gz ZMBUZKZSNWVAEP-RBUKOAKNSA-N 2 0 331.504 3.061 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001490560984 1394261162 /nfs/dbraw/zinc/26/11/62/1394261162.db2.gz IURPMCRLGMQZRB-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(NC[C@@H]([NH2+]CC1CCC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001490698573 1394298332 /nfs/dbraw/zinc/29/83/32/1394298332.db2.gz HRSJPSUSSLFSCX-WOJBJXKFSA-N 2 0 347.547 3.068 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490770179 1394333096 /nfs/dbraw/zinc/33/30/96/1394333096.db2.gz CDVHIEGKPGZPJW-IRXDYDNUSA-N 2 0 349.494 3.009 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001490785251 1394345188 /nfs/dbraw/zinc/34/51/88/1394345188.db2.gz YNHWJIUGIDYTHS-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001491082771 1394421981 /nfs/dbraw/zinc/42/19/81/1394421981.db2.gz LROHMTFUFFULSK-HSALFYBXSA-N 2 0 347.547 3.234 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001491125902 1394442287 /nfs/dbraw/zinc/44/22/87/1394442287.db2.gz QUBFKKVMTXKUQE-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCC(C)(C)C)CC(C)(C)C ZINC001491223041 1394480192 /nfs/dbraw/zinc/48/01/92/1394480192.db2.gz VMPILQXIMFANIM-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740937 1394486974 /nfs/dbraw/zinc/48/69/74/1394486974.db2.gz GMVKTAWYCPJUBQ-UXHICEINSA-N 2 0 345.531 3.148 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001491270494 1394498933 /nfs/dbraw/zinc/49/89/33/1394498933.db2.gz CVTKAENBSMLLSJ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481781354 1394525813 /nfs/dbraw/zinc/52/58/13/1394525813.db2.gz CDJBHYYXUJDPGW-VQTJNVASSA-N 2 0 343.515 3.156 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001491682876 1394526468 /nfs/dbraw/zinc/52/64/68/1394526468.db2.gz PUNAXNXTPNFHLT-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856156 1394561351 /nfs/dbraw/zinc/56/13/51/1394561351.db2.gz PHKJPTSLWGVKOI-PKOBYXMFSA-N 2 0 335.536 3.236 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001481959718 1394620225 /nfs/dbraw/zinc/62/02/25/1394620225.db2.gz ATPHKNQIGOFYMX-VQANUHDPSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC(CC[NH2+]CCCC3CCCC3)CC2)C1 ZINC001482008343 1394668343 /nfs/dbraw/zinc/66/83/43/1394668343.db2.gz PDRMQCDFJRQOQC-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001482033607 1394693382 /nfs/dbraw/zinc/69/33/82/1394693382.db2.gz XDAFLBOQXKFEGN-UHFFFAOYSA-N 2 0 331.504 3.067 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001482039471 1394701843 /nfs/dbraw/zinc/70/18/43/1394701843.db2.gz GNDCUZQLMOQICV-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](c1cccc(F)c1)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001482045327 1394707212 /nfs/dbraw/zinc/70/72/12/1394707212.db2.gz FGRPONGQKYWGSW-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001482223002 1394816946 /nfs/dbraw/zinc/81/69/46/1394816946.db2.gz NWEXQCYZAXIJCF-OAHLLOKOSA-N 2 0 342.487 3.321 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338067 1394906128 /nfs/dbraw/zinc/90/61/28/1394906128.db2.gz DOKQXWBJEUWZQE-KRWDZBQOSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482386089 1394947667 /nfs/dbraw/zinc/94/76/67/1394947667.db2.gz DMHQTBCIKPEUSG-RDJZCZTQSA-N 2 0 344.503 3.423 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482398495 1394960069 /nfs/dbraw/zinc/96/00/69/1394960069.db2.gz LLDLNCNSZMPPCM-IBGZPJMESA-N 2 0 337.552 3.194 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001482422750 1394984729 /nfs/dbraw/zinc/98/47/29/1394984729.db2.gz GSCKPGBIQRYVFN-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001482480048 1395034256 /nfs/dbraw/zinc/03/42/56/1395034256.db2.gz TXZLGXCWTSWMPN-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001483338368 1395098862 /nfs/dbraw/zinc/09/88/62/1395098862.db2.gz DQMOJELZCQLTCG-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1c(C(=O)N2CCC[C@H]2C[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001483936782 1395152077 /nfs/dbraw/zinc/15/20/77/1395152077.db2.gz UXTOSRBTMOVFEH-KRWDZBQOSA-N 2 0 342.487 3.273 10 0 EGAERP CC1CCC(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C2CCCC2)CC1 ZINC001484011223 1395184667 /nfs/dbraw/zinc/18/46/67/1395184667.db2.gz BSGQLBUUPUDFOJ-QLOJAFMTSA-N 2 0 349.563 3.173 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484142251 1395278646 /nfs/dbraw/zinc/27/86/46/1395278646.db2.gz WLYZRYKLVKILQO-LIXSYLKWSA-N 2 0 349.563 3.293 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCCC2)C1 ZINC001484151898 1395287957 /nfs/dbraw/zinc/28/79/57/1395287957.db2.gz GYKMAIMPBZJPER-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001484170189 1395309581 /nfs/dbraw/zinc/30/95/81/1395309581.db2.gz LINNHLWRRHWEAR-RXVVDRJESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001484398123 1395368503 /nfs/dbraw/zinc/36/85/03/1395368503.db2.gz WLLJBUHOJOJFBO-VAMGGRTRSA-N 2 0 349.563 3.031 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001484522994 1395415253 /nfs/dbraw/zinc/41/52/53/1395415253.db2.gz OCVXVXHEQKYXGW-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001484559273 1395442421 /nfs/dbraw/zinc/44/24/21/1395442421.db2.gz PCBZCOSVAOSILO-OXJNMPFZSA-N 2 0 343.515 3.238 10 0 EGAERP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001484559294 1395442552 /nfs/dbraw/zinc/44/25/52/1395442552.db2.gz PGUKDLOLYMFFNZ-INIZCTEOSA-N 2 0 331.504 3.238 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1=CCCCC1 ZINC001484744138 1395499459 /nfs/dbraw/zinc/49/94/59/1395499459.db2.gz LVVCQNACCWDJBH-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CCC(C)(C)C ZINC001484743661 1395499578 /nfs/dbraw/zinc/49/95/78/1395499578.db2.gz FQINQBBZMWQOTO-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP CCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1 ZINC001484810777 1395546509 /nfs/dbraw/zinc/54/65/09/1395546509.db2.gz KNDSDBIGEUHWDM-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCC(C)C)C2)C1)[NH+](C)C ZINC001484833179 1395569801 /nfs/dbraw/zinc/56/98/01/1395569801.db2.gz YHXNFVPCANQBMM-ICSRJNTNSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001484938058 1395596839 /nfs/dbraw/zinc/59/68/39/1395596839.db2.gz UIQMUHFSWOGDOI-PKOBYXMFSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001484982647 1395623023 /nfs/dbraw/zinc/62/30/23/1395623023.db2.gz TYRJIKOHQQRVTE-FUHWJXTLSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001485186076 1395692699 /nfs/dbraw/zinc/69/26/99/1395692699.db2.gz BLYCFKZRMDJHKE-JKSUJKDBSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001485209661 1395707026 /nfs/dbraw/zinc/70/70/26/1395707026.db2.gz XYOBSBQAGNTONG-SJORKVTESA-N 2 0 335.536 3.090 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218218 1395714026 /nfs/dbraw/zinc/71/40/26/1395714026.db2.gz VVSWNIUICBWTPZ-DLBZAZTESA-N 2 0 347.547 3.309 10 0 EGAERP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001485260548 1395746484 /nfs/dbraw/zinc/74/64/84/1395746484.db2.gz RWFMSVCXARZRRK-SJORKVTESA-N 2 0 343.531 3.072 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCCC1 ZINC001485456960 1395928121 /nfs/dbraw/zinc/92/81/21/1395928121.db2.gz FDFMQXGTTMGQTI-RBUKOAKNSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001485484634 1395970855 /nfs/dbraw/zinc/97/08/55/1395970855.db2.gz JHNGWKRRONSQQG-GOSISDBHSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC2=CCCCC2)CC1 ZINC001485766670 1396143340 /nfs/dbraw/zinc/14/33/40/1396143340.db2.gz MOWZRADEYVMCTM-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001485892690 1396161937 /nfs/dbraw/zinc/16/19/37/1396161937.db2.gz CDVYJRXBZBTKKG-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001486089217 1396176514 /nfs/dbraw/zinc/17/65/14/1396176514.db2.gz OXCJBTHGHTZZMX-FXAWDEMLSA-N 2 0 345.531 3.174 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001501392144 1396193703 /nfs/dbraw/zinc/19/37/03/1396193703.db2.gz WFVSEZVDYNQXGN-PTWHKANQSA-N 2 0 347.547 3.282 10 0 EGAERP CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001501393351 1396193940 /nfs/dbraw/zinc/19/39/40/1396193940.db2.gz AFFKKHXTNQNTGZ-OALUTQOASA-N 2 0 335.536 3.116 10 0 EGAERP CC[C@@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491964847 1396301149 /nfs/dbraw/zinc/30/11/49/1396301149.db2.gz CHZOMJQPODDJBW-RTBURBONSA-N 2 0 349.494 3.033 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491965972 1396301376 /nfs/dbraw/zinc/30/13/76/1396301376.db2.gz WIEQAXOCDGIDGO-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001492092606 1396303899 /nfs/dbraw/zinc/30/38/99/1396303899.db2.gz XDWLCHVDEVCXKK-PKOBYXMFSA-N 2 0 335.536 3.234 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCCC2CCCC2)C1 ZINC001492179012 1396313124 /nfs/dbraw/zinc/31/31/24/1396313124.db2.gz UMDXVBWBDDBAHR-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CCCC2CCCC2)C1 ZINC001492179011 1396313167 /nfs/dbraw/zinc/31/31/67/1396313167.db2.gz UMDXVBWBDDBAHR-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001493134875 1396337336 /nfs/dbraw/zinc/33/73/36/1396337336.db2.gz GDJNLAPMFLLBRP-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001493140988 1396338230 /nfs/dbraw/zinc/33/82/30/1396338230.db2.gz VENCISWOUJBJSB-ZMBJWTFHSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001494320282 1396431165 /nfs/dbraw/zinc/43/11/65/1396431165.db2.gz NQPABXOIFAEYMP-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001495817289 1396564199 /nfs/dbraw/zinc/56/41/99/1396564199.db2.gz YBTNLTWYKALCFH-CABCVRRESA-N 2 0 339.911 3.083 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001495948479 1396574478 /nfs/dbraw/zinc/57/44/78/1396574478.db2.gz QTOGOHCEJQKXDV-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001496078435 1396596473 /nfs/dbraw/zinc/59/64/73/1396596473.db2.gz DVVLIZSWOGWSAX-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496104861 1396601554 /nfs/dbraw/zinc/60/15/54/1396601554.db2.gz YUJPUXCIDHGYGD-KRWDZBQOSA-N 2 0 347.547 3.022 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001496323589 1396650233 /nfs/dbraw/zinc/65/02/33/1396650233.db2.gz AKIZNLORTXOELS-FQEVSTJZSA-N 2 0 347.547 3.237 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001496406034 1396693252 /nfs/dbraw/zinc/69/32/52/1396693252.db2.gz GLPFXOQXERVUOQ-QGZVFWFLSA-N 2 0 342.487 3.417 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C)cc1 ZINC001496418916 1396701558 /nfs/dbraw/zinc/70/15/58/1396701558.db2.gz LMXILMCNRQDDQP-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001496492672 1396710215 /nfs/dbraw/zinc/71/02/15/1396710215.db2.gz XJQNVCHZCZNBHE-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CC[NH2+]CCCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497297514 1396745262 /nfs/dbraw/zinc/74/52/62/1396745262.db2.gz LFMOLSKVGQQMPE-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001689058634 1396860400 /nfs/dbraw/zinc/86/04/00/1396860400.db2.gz MQIJCGXMXPPYRX-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001497985775 1396903605 /nfs/dbraw/zinc/90/36/05/1396903605.db2.gz KFURFESGRIECMD-JLAWEPINSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2[C@H](C1)[C@@H]1CC[C@H]2C[NH+]1C(C)C ZINC001689149534 1396949272 /nfs/dbraw/zinc/94/92/72/1396949272.db2.gz BUDVSULQZJZMFY-YRPNKDGESA-N 2 0 349.563 3.076 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001498457538 1397006482 /nfs/dbraw/zinc/00/64/82/1397006482.db2.gz RRTPDERAXNVZOY-XLIONFOSSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699029068 1406866862 /nfs/dbraw/zinc/86/68/62/1406866862.db2.gz OETUEKUSPOPDLS-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689821028 1404160022 /nfs/dbraw/zinc/16/00/22/1404160022.db2.gz LQVPHJKHSBLNTH-INIZCTEOSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001689891415 1404188211 /nfs/dbraw/zinc/18/82/11/1404188211.db2.gz ZHODIULVUAOKAO-IBGZPJMESA-N 2 0 345.531 3.370 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001689909190 1404201681 /nfs/dbraw/zinc/20/16/81/1404201681.db2.gz LXTUGBOWKFKTTC-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001690046588 1404280845 /nfs/dbraw/zinc/28/08/45/1404280845.db2.gz MFVUHAXULVGGSJ-ZYHOBAKYSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001690131129 1404326410 /nfs/dbraw/zinc/32/64/10/1404326410.db2.gz NVSYEAHMZCLIGO-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001690199334 1404410473 /nfs/dbraw/zinc/41/04/73/1404410473.db2.gz PBTCWEJBJUCPSH-ZBWOGFRMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001690215488 1404422968 /nfs/dbraw/zinc/42/29/68/1404422968.db2.gz RVLRDXGYEFXGGR-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690317493 1404473751 /nfs/dbraw/zinc/47/37/51/1404473751.db2.gz HGIZMVZFLWVLBY-RBUKOAKNSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](CC3CCCCCC3)C2)C1 ZINC001690392364 1404533829 /nfs/dbraw/zinc/53/38/29/1404533829.db2.gz VVHAYAZCIPDFHN-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001690455486 1404583256 /nfs/dbraw/zinc/58/32/56/1404583256.db2.gz ULSXMBJBTYCSAU-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001690454935 1404583309 /nfs/dbraw/zinc/58/33/09/1404583309.db2.gz OCDXXUNPMUOWCO-IBGZPJMESA-N 2 0 345.531 3.232 10 0 EGAERP CC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001690638015 1404669917 /nfs/dbraw/zinc/66/99/17/1404669917.db2.gz AWYYOFNJVSIZBB-OXQOHEQNSA-N 2 0 341.499 3.083 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001690718223 1404696723 /nfs/dbraw/zinc/69/67/23/1404696723.db2.gz DCXRDLHQGUFJRB-INIZCTEOSA-N 2 0 342.487 3.131 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690823428 1404760245 /nfs/dbraw/zinc/76/02/45/1404760245.db2.gz YFLSXFYFBXCXDA-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001690825376 1404763693 /nfs/dbraw/zinc/76/36/93/1404763693.db2.gz XGZINQYZKJYODK-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCC1 ZINC001690860335 1404781776 /nfs/dbraw/zinc/78/17/76/1404781776.db2.gz XGKLGZXPYWBJFE-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690881453 1404794836 /nfs/dbraw/zinc/79/48/36/1404794836.db2.gz UGKULMSCWLULSQ-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001691062628 1404987318 /nfs/dbraw/zinc/98/73/18/1404987318.db2.gz UNJDIHHMHXOXBE-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001691157664 1405092905 /nfs/dbraw/zinc/09/29/05/1405092905.db2.gz YNVVGMJJJZPMQE-ROUUACIJSA-N 2 0 345.531 3.261 10 0 EGAERP CCC[N@H+](CCNC(=O)c1ccc2c[nH+]cn2c1C)C[C@@H](C)CC ZINC001691186266 1405123696 /nfs/dbraw/zinc/12/36/96/1405123696.db2.gz LTNOLPGQMYIWSX-HNNXBMFYSA-N 2 0 330.476 3.131 10 0 EGAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001725784250 1426468764 /nfs/dbraw/zinc/46/87/64/1426468764.db2.gz BLISJOWCICDBIC-CTWPCTMYSA-N 2 0 337.552 3.265 10 0 EGAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691302779 1405198040 /nfs/dbraw/zinc/19/80/40/1405198040.db2.gz ZWFWQIRYVJFZGL-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691304837 1405199193 /nfs/dbraw/zinc/19/91/93/1405199193.db2.gz GQHXXIODRBAZRT-CFPAGDMOSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001691306530 1405200351 /nfs/dbraw/zinc/20/03/51/1405200351.db2.gz VDKVKLMRKHCADS-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691407076 1405245284 /nfs/dbraw/zinc/24/52/84/1405245284.db2.gz XXQGTKWFLZSZJD-FQEVSTJZSA-N 2 0 345.531 3.331 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691457818 1405280747 /nfs/dbraw/zinc/28/07/47/1405280747.db2.gz AMYVGIDQAFRHAU-FTEYMNFISA-N 2 0 349.563 3.314 10 0 EGAERP CN(CC[NH2+]Cc1ccccc1C1CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691476692 1405293710 /nfs/dbraw/zinc/29/37/10/1405293710.db2.gz OYOUQZKXBCBYRH-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CC2CCCCCC2)CC1 ZINC001691538104 1405329508 /nfs/dbraw/zinc/32/95/08/1405329508.db2.gz COCWGLPUTMWRQZ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691604278 1405352435 /nfs/dbraw/zinc/35/24/35/1405352435.db2.gz KLGCFWOUGDVAKS-WFRZBGSESA-N 2 0 347.547 3.236 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001691683234 1405418858 /nfs/dbraw/zinc/41/88/58/1405418858.db2.gz RIJDZIFFSKKASN-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCCC(C)(C)C ZINC001691727721 1405451402 /nfs/dbraw/zinc/45/14/02/1405451402.db2.gz XBYJSIUNOXVBCW-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1CC[NH2+]CC1CCC1 ZINC001691731645 1405454709 /nfs/dbraw/zinc/45/47/09/1405454709.db2.gz DXCMTEBCNWIUJR-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001691765083 1405478686 /nfs/dbraw/zinc/47/86/86/1405478686.db2.gz KGUGINIJTMKVBE-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691889894 1405613271 /nfs/dbraw/zinc/61/32/71/1405613271.db2.gz MSCHZSQHLXQODR-BHYGNILZSA-N 2 0 342.487 3.177 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001691893334 1405615687 /nfs/dbraw/zinc/61/56/87/1405615687.db2.gz PAKUSMZMPTWWDN-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001691955100 1405673757 /nfs/dbraw/zinc/67/37/57/1405673757.db2.gz IITJLPALMLSOIT-QLLBUPAMSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001692009986 1405728337 /nfs/dbraw/zinc/72/83/37/1405728337.db2.gz ROKGJQOTINQGKC-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1Cc1csc(C)c1 ZINC001692188302 1405829202 /nfs/dbraw/zinc/82/92/02/1405829202.db2.gz CRXPRRXGVQBFPF-ZWKOTPCHSA-N 2 0 349.544 3.010 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)CC(C)(C)C2)C1 ZINC001692275507 1405907622 /nfs/dbraw/zinc/90/76/22/1405907622.db2.gz IYLDQOBRIWLGQY-DAWZGUTISA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692333222 1405952849 /nfs/dbraw/zinc/95/28/49/1405952849.db2.gz LRPFTALEGVVBIS-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001732018496 1428235447 /nfs/dbraw/zinc/23/54/47/1428235447.db2.gz WNNGCGTUXVLAPL-PXNSSMCTSA-N 2 0 345.531 3.309 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001732021127 1428238397 /nfs/dbraw/zinc/23/83/97/1428238397.db2.gz BLEMTWKFUQMVIP-IBGZPJMESA-N 2 0 345.531 3.495 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2C)C1 ZINC001732080520 1428334954 /nfs/dbraw/zinc/33/49/54/1428334954.db2.gz UQLUKEFYTXTHHZ-MOPGFXCFSA-N 2 0 345.531 3.321 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH+]2CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001732118351 1428370245 /nfs/dbraw/zinc/37/02/45/1428370245.db2.gz DJUTUGSSXSHTKJ-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001732167711 1428411046 /nfs/dbraw/zinc/41/10/46/1428411046.db2.gz ZGQGAMZHNGYXPV-IBGZPJMESA-N 2 0 335.536 3.140 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187885 1428439098 /nfs/dbraw/zinc/43/90/98/1428439098.db2.gz VSUXLWCFBMAPDB-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCC2CCC2)C1 ZINC001732271376 1428507612 /nfs/dbraw/zinc/50/76/12/1428507612.db2.gz GHPNCQWEVZIDKE-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001732278702 1428511438 /nfs/dbraw/zinc/51/14/38/1428511438.db2.gz SXTMZEPEHCDYGH-KPDZFXRVSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001732313473 1428525481 /nfs/dbraw/zinc/52/54/81/1428525481.db2.gz UDIXGKLKGKRLEC-MISYRCLQSA-N 2 0 345.531 3.413 10 0 EGAERP O=C(NCCC1CC[NH+](CC2CCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732326010 1428534799 /nfs/dbraw/zinc/53/47/99/1428534799.db2.gz NMZFEUPDKGBDMN-PMACEKPBSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001732329863 1428536636 /nfs/dbraw/zinc/53/66/36/1428536636.db2.gz DRIQDIQCJYYDMY-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001732397568 1428564630 /nfs/dbraw/zinc/56/46/30/1428564630.db2.gz QAXNMUGUIVHZBN-MOPGFXCFSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCCCC1 ZINC001732478378 1428604190 /nfs/dbraw/zinc/60/41/90/1428604190.db2.gz UHLWIBGUIZIBNK-XLIONFOSSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001732490590 1428613647 /nfs/dbraw/zinc/61/36/47/1428613647.db2.gz NQUDSPNWVITBKB-IEBWSBKVSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001732497621 1428619264 /nfs/dbraw/zinc/61/92/64/1428619264.db2.gz CGQWTEBNZLAJBP-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699099460 1412509527 /nfs/dbraw/zinc/50/95/27/1412509527.db2.gz KLYROQVLFQFURD-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699101383 1412510111 /nfs/dbraw/zinc/51/01/11/1412510111.db2.gz WGPZQQFAZJURGQ-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001699210006 1412576131 /nfs/dbraw/zinc/57/61/31/1412576131.db2.gz CAQZUBRZSAGRJU-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001699257031 1412600714 /nfs/dbraw/zinc/60/07/14/1412600714.db2.gz JOIUIKAPBDIFAH-GFOMBABLSA-N 2 0 343.515 3.274 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001699273611 1412608654 /nfs/dbraw/zinc/60/86/54/1412608654.db2.gz YCRIUTVNDCWDAA-HMECNJMJSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001699294343 1412620670 /nfs/dbraw/zinc/62/06/70/1412620670.db2.gz NGAVYEDGBSPYBM-WYNBNGFRSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699365825 1412672551 /nfs/dbraw/zinc/67/25/51/1412672551.db2.gz YESIFNLRNVHTFR-SJLPKXTDSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699369342 1412675649 /nfs/dbraw/zinc/67/56/49/1412675649.db2.gz YUYNQXVYAQUKER-MRXNPFEDSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001699456526 1412801231 /nfs/dbraw/zinc/80/12/31/1412801231.db2.gz XTRWSQWPMJLGNU-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001699487615 1412883463 /nfs/dbraw/zinc/88/34/63/1412883463.db2.gz MAQIEKWLWARRQP-OALUTQOASA-N 2 0 335.536 3.093 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001699531009 1412908558 /nfs/dbraw/zinc/90/85/58/1412908558.db2.gz SQBTTZSWTJKAMM-IEBWSBKVSA-N 2 0 333.520 3.080 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001699579846 1412935906 /nfs/dbraw/zinc/93/59/06/1412935906.db2.gz STXVXINPRSIECO-MOPGFXCFSA-N 2 0 349.563 3.027 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001699605127 1412968461 /nfs/dbraw/zinc/96/84/61/1412968461.db2.gz IIDLJJFAFCSBIS-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCCC1 ZINC001699622318 1412986549 /nfs/dbraw/zinc/98/65/49/1412986549.db2.gz QMFPVYYONUBXAN-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001699633429 1413006566 /nfs/dbraw/zinc/00/65/66/1413006566.db2.gz MSHMUSCBCCCAEW-OXJNMPFZSA-N 2 0 339.483 3.043 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1)[NH+](CC)CC ZINC001699676041 1413070033 /nfs/dbraw/zinc/07/00/33/1413070033.db2.gz GQHJWVHLERMEHQ-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001699689256 1413092437 /nfs/dbraw/zinc/09/24/37/1413092437.db2.gz NGXFSIXAXOMHKL-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001699700252 1413112614 /nfs/dbraw/zinc/11/26/14/1413112614.db2.gz NJCXOZCWFNVWIT-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699706209 1413122803 /nfs/dbraw/zinc/12/28/03/1413122803.db2.gz OPVGEISCLLTJIR-GHTZIAJQSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699766320 1413171205 /nfs/dbraw/zinc/17/12/05/1413171205.db2.gz FLZGYNGOLIDBPI-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1)CC(C)(C)C ZINC001699773427 1413181551 /nfs/dbraw/zinc/18/15/51/1413181551.db2.gz RZXSERLYQDSNAB-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001699806842 1413221117 /nfs/dbraw/zinc/22/11/17/1413221117.db2.gz UOMVPAHHAVACGV-SHTLVRLNSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824704 1413249532 /nfs/dbraw/zinc/24/95/32/1413249532.db2.gz RIVLQPOECJRGKG-BEFAXECRSA-N 2 0 349.906 3.077 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001699842213 1413270774 /nfs/dbraw/zinc/27/07/74/1413270774.db2.gz LWJZJULPZDNEQX-YLJYHZDGSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001732545156 1428719483 /nfs/dbraw/zinc/71/94/83/1428719483.db2.gz SPNYREYDQGUIKR-WYTZPYIFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+]([C@H](C)c3ccccc3)C[C@H]21 ZINC001700020555 1413468387 /nfs/dbraw/zinc/46/83/87/1413468387.db2.gz ZPAVARUZVDZTEU-YZGWKJHDSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094338 1413508680 /nfs/dbraw/zinc/50/86/80/1413508680.db2.gz SMMLEHJIODKHQJ-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700099805 1413517033 /nfs/dbraw/zinc/51/70/33/1413517033.db2.gz QFAALWFCYHHCSV-HOQHSMRBSA-N 2 0 343.515 3.261 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001700101711 1413519704 /nfs/dbraw/zinc/51/97/04/1413519704.db2.gz PBZPXEIZMBPUCV-VAMGGRTRSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001700103489 1413521495 /nfs/dbraw/zinc/52/14/95/1413521495.db2.gz BEXUCNINCLTKSE-KESTWPANSA-N 2 0 345.531 3.100 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700179476 1413590247 /nfs/dbraw/zinc/59/02/47/1413590247.db2.gz QQHWLKGNJJHBOF-QRTFGMIHSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700179475 1413590943 /nfs/dbraw/zinc/59/09/43/1413590943.db2.gz QQHWLKGNJJHBOF-IOIJZZRGSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001700184847 1413603504 /nfs/dbraw/zinc/60/35/04/1413603504.db2.gz OXTJDDDZUAMYIZ-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CCC(CC)C[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700187333 1413610438 /nfs/dbraw/zinc/61/04/38/1413610438.db2.gz PIINACBYQYMWBQ-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001700205785 1413651564 /nfs/dbraw/zinc/65/15/64/1413651564.db2.gz YTHLJQPCKPUGKE-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC1CCC1 ZINC001732556653 1428744644 /nfs/dbraw/zinc/74/46/44/1428744644.db2.gz HYEHORNVMCJNAB-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CC1([NH2+]CC2CCCC2)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001700289462 1413739406 /nfs/dbraw/zinc/73/94/06/1413739406.db2.gz MPERHWFRVONYAN-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700341586 1413824177 /nfs/dbraw/zinc/82/41/77/1413824177.db2.gz WVSDERHICDDJRQ-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566285 1428758327 /nfs/dbraw/zinc/75/83/27/1428758327.db2.gz LRVBMHDIBCJIBW-IEBWSBKVSA-N 2 0 349.563 3.029 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001700352563 1413847550 /nfs/dbraw/zinc/84/75/50/1413847550.db2.gz BEJAQYOXPVMXRY-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700359122 1413867833 /nfs/dbraw/zinc/86/78/33/1413867833.db2.gz HBKWLRVARJKAJE-QGZVFWFLSA-N 2 0 339.568 3.323 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001700363950 1413884369 /nfs/dbraw/zinc/88/43/69/1413884369.db2.gz IFSHEMXBELMWPI-SLVIYJBESA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC(C)(C)CC1 ZINC001732571244 1428766833 /nfs/dbraw/zinc/76/68/33/1428766833.db2.gz ACRCEXDSVNNQAR-SFHVURJKSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]CCC(C)(C)C ZINC001700401198 1413936358 /nfs/dbraw/zinc/93/63/58/1413936358.db2.gz QWYCRIYZFVNWGX-UONOGXRCSA-N 2 0 339.549 3.342 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700463767 1414067582 /nfs/dbraw/zinc/06/75/82/1414067582.db2.gz MJVLEVAXTTXDSZ-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001700465551 1414071197 /nfs/dbraw/zinc/07/11/97/1414071197.db2.gz GKCCKRAEJXVDML-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001700498846 1414145514 /nfs/dbraw/zinc/14/55/14/1414145514.db2.gz GWBBMDQERWAPMH-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001700527540 1414191451 /nfs/dbraw/zinc/19/14/51/1414191451.db2.gz WBLDQJYMPVRTNV-AWTIPJNISA-N 2 0 337.552 3.290 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001700620445 1414289264 /nfs/dbraw/zinc/28/92/64/1414289264.db2.gz WJGWXJDXLAUVJV-FPLPWBNLSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001700662769 1414321837 /nfs/dbraw/zinc/32/18/37/1414321837.db2.gz XAWIGJUHAZKOBE-NLWGTHIKSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700672410 1414328622 /nfs/dbraw/zinc/32/86/22/1414328622.db2.gz PEQSFVLVZFVDFE-LNLFQRSKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001700709587 1414364199 /nfs/dbraw/zinc/36/41/99/1414364199.db2.gz PUESHQOPCMXJCI-IHPCNDPISA-N 2 0 345.531 3.352 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CCCCCC1 ZINC001700751674 1414421154 /nfs/dbraw/zinc/42/11/54/1414421154.db2.gz INKGNKWFERIAOR-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001700760157 1414432607 /nfs/dbraw/zinc/43/26/07/1414432607.db2.gz NRKLTJWRGNASDD-PKOBYXMFSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001700779372 1414461142 /nfs/dbraw/zinc/46/11/42/1414461142.db2.gz AQVSBBRJJBVKSC-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001700781487 1414463893 /nfs/dbraw/zinc/46/38/93/1414463893.db2.gz XCGSYHBLFCLDKV-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700822087 1414478731 /nfs/dbraw/zinc/47/87/31/1414478731.db2.gz ISPUVVUXDJZFAW-SJLPKXTDSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001700880817 1414536746 /nfs/dbraw/zinc/53/67/46/1414536746.db2.gz HENFIJDQTZWAOL-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001700891707 1414550836 /nfs/dbraw/zinc/55/08/36/1414550836.db2.gz NMWYALLEIJEHCH-NVXWUHKLSA-N 2 0 349.544 3.098 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001701001262 1414653796 /nfs/dbraw/zinc/65/37/96/1414653796.db2.gz NUOFUEVALJHBCF-SJLPKXTDSA-N 2 0 333.520 3.208 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001701058039 1414714275 /nfs/dbraw/zinc/71/42/75/1414714275.db2.gz OMONAANABUSDHJ-GOSISDBHSA-N 2 0 347.547 3.047 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001732812213 1428990089 /nfs/dbraw/zinc/99/00/89/1428990089.db2.gz MIOVBESALAYYNO-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001707062435 1417177704 /nfs/dbraw/zinc/17/77/04/1417177704.db2.gz NEMXOCRYJAMZLQ-KJYWSYJISA-N 2 0 349.563 3.386 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001707076464 1417187505 /nfs/dbraw/zinc/18/75/05/1417187505.db2.gz ZDKQIRVUKUXZGF-QGZVKYPTSA-N 2 0 349.563 3.314 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001707088805 1417195054 /nfs/dbraw/zinc/19/50/54/1417195054.db2.gz MGCYRXYNKHCYIG-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001707108319 1417204363 /nfs/dbraw/zinc/20/43/63/1417204363.db2.gz VKBBBNYADOURSH-IPMKNSEASA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707163494 1417226115 /nfs/dbraw/zinc/22/61/15/1417226115.db2.gz SGSHDWSURNXMAI-OANMOWAGSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001707168768 1417227935 /nfs/dbraw/zinc/22/79/35/1417227935.db2.gz RSKPSRWUGKJJQN-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001707278933 1417286907 /nfs/dbraw/zinc/28/69/07/1417286907.db2.gz BIWNDUXEXBBXGK-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707440621 1417344761 /nfs/dbraw/zinc/34/47/61/1417344761.db2.gz DGMKGGZVPNHAOR-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1ccccc1 ZINC001713016416 1417569200 /nfs/dbraw/zinc/56/92/00/1417569200.db2.gz YMURYSBXKXZJRK-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713094493 1417642551 /nfs/dbraw/zinc/64/25/51/1417642551.db2.gz HETYCJVQFLNHRG-IWOQZAADSA-N 2 0 347.547 3.044 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001713101704 1417655399 /nfs/dbraw/zinc/65/53/99/1417655399.db2.gz XLKNTBSUTMGWFB-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CCCCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001713101931 1417656083 /nfs/dbraw/zinc/65/60/83/1417656083.db2.gz GMSHSNVNTIJCDZ-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713131938 1417706629 /nfs/dbraw/zinc/70/66/29/1417706629.db2.gz OVKFACXSJUBAGQ-QGZVFWFLSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001713144533 1417727314 /nfs/dbraw/zinc/72/73/14/1417727314.db2.gz ZVCNCUXGDXIPKI-OTWHNJEPSA-N 2 0 335.536 3.115 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001713149779 1417729907 /nfs/dbraw/zinc/72/99/07/1417729907.db2.gz MCNLKAMYBWGSOU-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001713181089 1417755426 /nfs/dbraw/zinc/75/54/26/1417755426.db2.gz DEUOXDOCFATPNW-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC001713203144 1417774067 /nfs/dbraw/zinc/77/40/67/1417774067.db2.gz BHGCXBGVRUUMCZ-HDICACEKSA-N 2 0 331.504 3.035 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001713242301 1417828369 /nfs/dbraw/zinc/82/83/69/1417828369.db2.gz OVHPXKUUEHSFSW-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CCC(C)C ZINC001713271564 1417884802 /nfs/dbraw/zinc/88/48/02/1417884802.db2.gz KVISTPFIMUAXRK-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001713286921 1417914281 /nfs/dbraw/zinc/91/42/81/1417914281.db2.gz INCPXFBEQIFMTO-PSTGNYPNSA-N 2 0 347.547 3.092 10 0 EGAERP CCC[NH2+]CCc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001713386107 1417996500 /nfs/dbraw/zinc/99/65/00/1417996500.db2.gz QKGINMYGVWOFKM-HXUWFJFHSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C/Cl ZINC001713415032 1418038479 /nfs/dbraw/zinc/03/84/79/1418038479.db2.gz UCKNAIVSHVOQCN-KSLMAGSDSA-N 2 0 341.927 3.020 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417352 1418041578 /nfs/dbraw/zinc/04/15/78/1418041578.db2.gz OQHLWCABDUQZID-XANICSHESA-N 2 0 341.515 3.040 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001713434793 1418064634 /nfs/dbraw/zinc/06/46/34/1418064634.db2.gz IVTHQAQDBQRQJK-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001713438695 1418071602 /nfs/dbraw/zinc/07/16/02/1418071602.db2.gz IKLKKIZYWKLFTQ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713438354 1418071716 /nfs/dbraw/zinc/07/17/16/1418071716.db2.gz AHNPIFBDNABSGK-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001713478363 1418161803 /nfs/dbraw/zinc/16/18/03/1418161803.db2.gz YULHDLVPPLUUCC-QGZVFWFLSA-N 2 0 339.911 3.179 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001713494350 1418197989 /nfs/dbraw/zinc/19/79/89/1418197989.db2.gz SDRWSRRCKKQOSX-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC1CC(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001733100738 1429242176 /nfs/dbraw/zinc/24/21/76/1429242176.db2.gz JTCBBXCDEWWFFY-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001713561286 1418361770 /nfs/dbraw/zinc/36/17/70/1418361770.db2.gz LRRFMYGSIPIKPH-FQEVSTJZSA-N 2 0 349.563 3.410 10 0 EGAERP CN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001713619762 1418396734 /nfs/dbraw/zinc/39/67/34/1418396734.db2.gz QMTULIQLAANMGT-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@H](C)c1cccc2ccccc21 ZINC001713666807 1418422325 /nfs/dbraw/zinc/42/23/25/1418422325.db2.gz DNGCFXPCCQHJFU-QGZVFWFLSA-N 2 0 341.499 3.289 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001713689848 1418442950 /nfs/dbraw/zinc/44/29/50/1418442950.db2.gz XDRPISPYPKCUCB-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP CC1(C)CCC(C[N@@H+]2CC[C@H](CCNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001713740374 1418541417 /nfs/dbraw/zinc/54/14/17/1418541417.db2.gz RNSRDSQFPKZFDS-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713755239 1418558941 /nfs/dbraw/zinc/55/89/41/1418558941.db2.gz XJXPPAUAIJANRK-UCFODXPJSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CCC1)C1CC1 ZINC001713773743 1418589521 /nfs/dbraw/zinc/58/95/21/1418589521.db2.gz YKGWHHOJQFNNAU-LJQANCHMSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001713900168 1418699999 /nfs/dbraw/zinc/69/99/99/1418699999.db2.gz RCYAFYPZLCYYEL-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCC[NH+](C)C)c1 ZINC001713941490 1418730002 /nfs/dbraw/zinc/73/00/02/1418730002.db2.gz YUOYNJXORPVMHR-HOJAQTOUSA-N 2 0 343.515 3.073 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714006279 1418785866 /nfs/dbraw/zinc/78/58/66/1418785866.db2.gz KMXLGPMAWYEGKH-GHOSXJJBSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714034239 1418823287 /nfs/dbraw/zinc/82/32/87/1418823287.db2.gz OKOSZRONAIJGJR-GLCUZYPYSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714034241 1418823317 /nfs/dbraw/zinc/82/33/17/1418823317.db2.gz OKOSZRONAIJGJR-KJYWSYJISA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714070596 1418866179 /nfs/dbraw/zinc/86/61/79/1418866179.db2.gz LOJZUAIVYLSLAL-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCCC[NH+]1CCC1CC1 ZINC001714109184 1418910024 /nfs/dbraw/zinc/91/00/24/1418910024.db2.gz VGMMKIGWGXFUEM-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC(C)C ZINC001714117738 1418921952 /nfs/dbraw/zinc/92/19/52/1418921952.db2.gz CNQMFXKKKRTDBV-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001714136539 1418939849 /nfs/dbraw/zinc/93/98/49/1418939849.db2.gz GVXATHDBRNJBAK-XJDXJNMNSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001714143415 1418945721 /nfs/dbraw/zinc/94/57/21/1418945721.db2.gz BRNGZBLYVJPMLG-OALUTQOASA-N 2 0 335.536 3.118 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]C/C=C/Cl)CCCC2)cc1 ZINC001714145222 1418949191 /nfs/dbraw/zinc/94/91/91/1418949191.db2.gz UJNXFJLZBPXNEF-LFYBBSHMSA-N 2 0 349.906 3.133 10 0 EGAERP C[NH+](C)CCC(=O)NC1CCC([NH2+][C@H]2CCCc3ccccc32)CC1 ZINC001714194471 1418999978 /nfs/dbraw/zinc/99/99/78/1418999978.db2.gz LOIYGIAMNFVXHD-QLOJAFMTSA-N 2 0 343.515 3.033 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001714234940 1419025710 /nfs/dbraw/zinc/02/57/10/1419025710.db2.gz JRVWWJWARPXVHA-VQTJNVASSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001714239947 1419029126 /nfs/dbraw/zinc/02/91/26/1419029126.db2.gz YVEIZGNUQWGJJQ-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001714302007 1419082280 /nfs/dbraw/zinc/08/22/80/1419082280.db2.gz MCRRLCVHRQVILQ-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714386396 1419136710 /nfs/dbraw/zinc/13/67/10/1419136710.db2.gz WIQKMKFEMRMPMA-SFHVURJKSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001714417836 1419154829 /nfs/dbraw/zinc/15/48/29/1419154829.db2.gz RBCFYCFNIVZNJC-WLTZFMEZSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001714434654 1419167522 /nfs/dbraw/zinc/16/75/22/1419167522.db2.gz CTQUOXAYXYTCFL-ROUUACIJSA-N 2 0 337.552 3.218 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001714615802 1419378190 /nfs/dbraw/zinc/37/81/90/1419378190.db2.gz MQFFICMLTQNZBA-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001714772380 1419501723 /nfs/dbraw/zinc/50/17/23/1419501723.db2.gz OSOUPELAXWAYTA-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714813197 1419524411 /nfs/dbraw/zinc/52/44/11/1419524411.db2.gz FQGPDJCPWVPMFW-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714856738 1419574110 /nfs/dbraw/zinc/57/41/10/1419574110.db2.gz SJDDRMYJOVGLIT-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714910281 1419656369 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YUIVYXFKEBDQPN-LJQANCHMSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715032326 1419765381 /nfs/dbraw/zinc/76/53/81/1419765381.db2.gz QLOXPDBTHAUTOU-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001715062087 1419800537 /nfs/dbraw/zinc/80/05/37/1419800537.db2.gz GFZZIGJNRCMPKL-QZTJIDSGSA-N 2 0 345.531 3.333 10 0 EGAERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715088907 1419829000 /nfs/dbraw/zinc/82/90/00/1419829000.db2.gz XBZDZDAGOMSPKC-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157006 1419899959 /nfs/dbraw/zinc/89/99/59/1419899959.db2.gz SZPHUWBPGYBWGM-QUCCMNQESA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715189535 1419921700 /nfs/dbraw/zinc/92/17/00/1419921700.db2.gz HMXCZUPGJPCUPS-FGAQLQNGSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CC2CCCCC2)CC1 ZINC001715204222 1419937951 /nfs/dbraw/zinc/93/79/51/1419937951.db2.gz OEWIVFGATOKAFX-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCC1 ZINC001715213530 1419945480 /nfs/dbraw/zinc/94/54/80/1419945480.db2.gz CUEBENZIHJPJJN-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001715256809 1419979311 /nfs/dbraw/zinc/97/93/11/1419979311.db2.gz OTZSPKQMHCJRCC-MSOLQXFVSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715326318 1420033212 /nfs/dbraw/zinc/03/32/12/1420033212.db2.gz INUXJKYNKSHNFB-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001715376561 1420072590 /nfs/dbraw/zinc/07/25/90/1420072590.db2.gz ITFNRHUJGSFQOS-UYAOXDASSA-N 2 0 345.531 3.134 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715402783 1420101618 /nfs/dbraw/zinc/10/16/18/1420101618.db2.gz XFJGCXVSHPRHTA-MVSSULDISA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CC1 ZINC001733247313 1429393315 /nfs/dbraw/zinc/39/33/15/1429393315.db2.gz AHXQFZXHAHDNQQ-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715464922 1420144549 /nfs/dbraw/zinc/14/45/49/1420144549.db2.gz XXWXQMHLZGXBHR-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715471471 1420150465 /nfs/dbraw/zinc/15/04/65/1420150465.db2.gz IQDXXOQANMLWEY-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCC(C)CC1 ZINC001715585835 1420261298 /nfs/dbraw/zinc/26/12/98/1420261298.db2.gz GWXHYMJVZHRGHU-TVPLGVNVSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001715668652 1420287086 /nfs/dbraw/zinc/28/70/86/1420287086.db2.gz BFFIYIYNFNOFPI-ROUUACIJSA-N 2 0 345.531 3.415 10 0 EGAERP CCN(CC[NH2+]CC[C@H]1CCC[C@H](C)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001715740062 1420319656 /nfs/dbraw/zinc/31/96/56/1420319656.db2.gz NYSCRGWIWJVGNP-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC)CC[NH2+]CC2CCCCC2)C1 ZINC001715752043 1420324932 /nfs/dbraw/zinc/32/49/32/1420324932.db2.gz KRCLZOPFISKXJO-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001715763426 1420331449 /nfs/dbraw/zinc/33/14/49/1420331449.db2.gz PASJSMZTABFATM-UHFFFAOYSA-N 2 0 339.483 3.000 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829334 1420359287 /nfs/dbraw/zinc/35/92/87/1420359287.db2.gz SQFBPRAYYLZKKQ-AJLCRXFPSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCCCCC1)[NH+]1CCCCCC1 ZINC001715874888 1420378344 /nfs/dbraw/zinc/37/83/44/1420378344.db2.gz FAUPIKADAQFNCE-SGQUHAKNSA-N 2 0 349.563 3.483 10 0 EGAERP CN(CC[N@H+](C)Cc1cc2ccccc2s1)C(=O)CCC[NH+](C)C ZINC001715936983 1420407924 /nfs/dbraw/zinc/40/79/24/1420407924.db2.gz DBDFHVKJVUMUKY-UHFFFAOYSA-N 2 0 347.528 3.133 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001716010582 1420463789 /nfs/dbraw/zinc/46/37/89/1420463789.db2.gz ZSPNHBRMPBYOCH-DLBZAZTESA-N 2 0 331.504 3.061 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001716048647 1420512146 /nfs/dbraw/zinc/51/21/46/1420512146.db2.gz CQSLURCZUQRICA-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075935 1420530415 /nfs/dbraw/zinc/53/04/15/1420530415.db2.gz TUQGTVOJJRAPBH-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+]CC[C@H](C)NC(=O)CC[NH+](C)C)c(C)c1C ZINC001716170168 1420549417 /nfs/dbraw/zinc/54/94/17/1420549417.db2.gz DURAZCLCEQIJQC-AWEZNQCLSA-N 2 0 347.547 3.165 10 0 EGAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001716224281 1420571406 /nfs/dbraw/zinc/57/14/06/1420571406.db2.gz OXHKTFROYDBEBB-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)s1 ZINC001716329974 1420606465 /nfs/dbraw/zinc/60/64/65/1420606465.db2.gz MVOQNHHZJYWRPG-AATRIKPKSA-N 2 0 349.544 3.001 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001716465808 1420678714 /nfs/dbraw/zinc/67/87/14/1420678714.db2.gz KWLDUGHUWNESKM-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716482528 1420699946 /nfs/dbraw/zinc/69/99/46/1420699946.db2.gz LWPXRSLRXXYRSV-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001716492850 1420715051 /nfs/dbraw/zinc/71/50/51/1420715051.db2.gz XITXIXSWDOJDMR-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C[N@H+](C)[C@H](C)c1ccc2ccccc2c1)NC(=O)CC[NH+](C)C ZINC001716494092 1420716200 /nfs/dbraw/zinc/71/62/00/1420716200.db2.gz XTOPCKGFESDXKX-IAGOWNOFSA-N 2 0 341.499 3.289 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001716507200 1420738262 /nfs/dbraw/zinc/73/82/62/1420738262.db2.gz BNZNYNSQMFFNBF-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CN(CCC[NH2+]C/C=C/c1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001716559097 1420760306 /nfs/dbraw/zinc/76/03/06/1420760306.db2.gz ADRVGVXJHIDDAF-UKTHLTGXSA-N 2 0 343.515 3.012 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001716563088 1420761521 /nfs/dbraw/zinc/76/15/21/1420761521.db2.gz GUGQYGGJTJXPJA-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]CCC2CCCC2)CC1 ZINC001716576729 1420766039 /nfs/dbraw/zinc/76/60/39/1420766039.db2.gz BUJPQXZDWACVKK-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001733272065 1429434650 /nfs/dbraw/zinc/43/46/50/1429434650.db2.gz GCKNPFNRFQHLBH-WRDDNVDJSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001716715277 1420871193 /nfs/dbraw/zinc/87/11/93/1420871193.db2.gz RMWJEDBGZICJNJ-UHFFFAOYSA-N 2 0 346.519 3.046 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001716727861 1420886201 /nfs/dbraw/zinc/88/62/01/1420886201.db2.gz KGSNZXJWAGNBBU-BQYQJAHWSA-N 2 0 349.563 3.389 10 0 EGAERP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)cc1 ZINC001716770190 1420914393 /nfs/dbraw/zinc/91/43/93/1420914393.db2.gz WMKYCKYTHSRLFH-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001716790863 1420924631 /nfs/dbraw/zinc/92/46/31/1420924631.db2.gz POSFOSXDIODCEZ-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)(C)CC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001716799552 1420932665 /nfs/dbraw/zinc/93/26/65/1420932665.db2.gz YAVJFFHGYMLLGO-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001716830417 1420957789 /nfs/dbraw/zinc/95/77/89/1420957789.db2.gz PBXIBLDOMCNFJM-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001716850723 1420980579 /nfs/dbraw/zinc/98/05/79/1420980579.db2.gz QBRNZDKTZRCICQ-IBGZPJMESA-N 2 0 325.541 3.125 10 0 EGAERP C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CC2=CCCCC2)C1 ZINC001716853713 1420985110 /nfs/dbraw/zinc/98/51/10/1420985110.db2.gz HAKXVUJJVRLBST-NRFANRHFSA-N 2 0 347.547 3.334 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)[NH+](CC)CC ZINC001716999625 1421069620 /nfs/dbraw/zinc/06/96/20/1421069620.db2.gz LWNUREQFKXHDEG-FCGDIQPGSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717007074 1421074707 /nfs/dbraw/zinc/07/47/07/1421074707.db2.gz OKMMRKYKVPNUNB-WOJBJXKFSA-N 2 0 343.515 3.030 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001717036563 1421090060 /nfs/dbraw/zinc/09/00/60/1421090060.db2.gz FSBLSYAUVFAUPH-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCC3)C2)CC1 ZINC001717103858 1421111548 /nfs/dbraw/zinc/11/15/48/1421111548.db2.gz LZGVRCYBXPEYSV-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@H+]2C)CC1 ZINC001717121645 1421124851 /nfs/dbraw/zinc/12/48/51/1421124851.db2.gz IPEHBTMUTWJCLG-FHWLQOOXSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001733286674 1429461344 /nfs/dbraw/zinc/46/13/44/1429461344.db2.gz BNZKDDQAVDUWHS-RMUOZIPVSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001717201382 1421169035 /nfs/dbraw/zinc/16/90/35/1421169035.db2.gz AVUKHUHJQFWXON-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001717201750 1421169997 /nfs/dbraw/zinc/16/99/97/1421169997.db2.gz GLWHIIXIOWHQTA-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717242280 1421210646 /nfs/dbraw/zinc/21/06/46/1421210646.db2.gz SKBWHNYKUZGZST-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001717242393 1421210791 /nfs/dbraw/zinc/21/07/91/1421210791.db2.gz YCEJJVMZGJFHDG-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001717309378 1421251786 /nfs/dbraw/zinc/25/17/86/1421251786.db2.gz LMRNMANMFXBRDF-PXEQJPNCSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001717337998 1421275470 /nfs/dbraw/zinc/27/54/70/1421275470.db2.gz ONAZQTWJPJSQLP-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001717448156 1421378001 /nfs/dbraw/zinc/37/80/01/1421378001.db2.gz YIYPPTOFJZZBQW-UHFFFAOYSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC1CCCC1 ZINC001717471808 1421404923 /nfs/dbraw/zinc/40/49/23/1421404923.db2.gz GBHVCTOXRHAIIC-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001717490549 1421429381 /nfs/dbraw/zinc/42/93/81/1421429381.db2.gz PCTLBAPSUPKEMP-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001717500056 1421443167 /nfs/dbraw/zinc/44/31/67/1421443167.db2.gz ONTKMSUDUQJGCM-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717552847 1421489877 /nfs/dbraw/zinc/48/98/77/1421489877.db2.gz MPVFNUMHMNJNPU-NFAHFFEMSA-N 2 0 340.471 3.049 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001717558666 1421494788 /nfs/dbraw/zinc/49/47/88/1421494788.db2.gz JLIWGHMFCMSBEC-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001717652686 1421552037 /nfs/dbraw/zinc/55/20/37/1421552037.db2.gz QYTSJIAJQDAQDR-UFYCRDLUSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001717704689 1421579182 /nfs/dbraw/zinc/57/91/82/1421579182.db2.gz RKPAHBXYNVAOSC-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001717738715 1421602585 /nfs/dbraw/zinc/60/25/85/1421602585.db2.gz QCAZHUNVQTYNCR-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717825603 1421640043 /nfs/dbraw/zinc/64/00/43/1421640043.db2.gz IAZVQTSSBHMFTE-QFBILLFUSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001717854934 1421667235 /nfs/dbraw/zinc/66/72/35/1421667235.db2.gz AHIBWOGNZPUYGN-YSKLNCTFSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001717861111 1421674137 /nfs/dbraw/zinc/67/41/37/1421674137.db2.gz TYHOAQOJXJXDSI-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001717874225 1421681769 /nfs/dbraw/zinc/68/17/69/1421681769.db2.gz AEOAYGAQOMZGNP-ROUUACIJSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2cccc(C)c2)C(C)(C)C1 ZINC001717905060 1421701004 /nfs/dbraw/zinc/70/10/04/1421701004.db2.gz FREFSIJCSQGBRP-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C)CC1 ZINC001717959417 1421730923 /nfs/dbraw/zinc/73/09/23/1421730923.db2.gz CQDBXRYZYKSXIN-LEOMRAHMSA-N 2 0 348.535 3.289 10 0 EGAERP CC[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717979425 1421750765 /nfs/dbraw/zinc/75/07/65/1421750765.db2.gz AVOHMQBTDNHFCK-DLBZAZTESA-N 2 0 339.568 3.227 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001717985385 1421758186 /nfs/dbraw/zinc/75/81/86/1421758186.db2.gz IERAMFHSDXMWGI-AQIYZVDXSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C2CC(N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001717998665 1421766248 /nfs/dbraw/zinc/76/62/48/1421766248.db2.gz FQGYOYRWOCDUEF-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001718003512 1421769838 /nfs/dbraw/zinc/76/98/38/1421769838.db2.gz WMDXLSRUHMLTBW-IEBWSBKVSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001733323668 1429508762 /nfs/dbraw/zinc/50/87/62/1429508762.db2.gz AZWAPZALMXLFGF-HNGSOEQISA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001733359304 1429542039 /nfs/dbraw/zinc/54/20/39/1429542039.db2.gz AZQMKRWASGFYOP-MJRGOJFPSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001733361564 1429545795 /nfs/dbraw/zinc/54/57/95/1429545795.db2.gz ANIWHUCUOSOEHB-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384166 1429570556 /nfs/dbraw/zinc/57/05/56/1429570556.db2.gz RXSOEQDENUQHPW-HNAYVOBHSA-N 2 0 349.494 3.103 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1=CCCCC1 ZINC001733390358 1429579928 /nfs/dbraw/zinc/57/99/28/1429579928.db2.gz IDSDPXNZSQACIN-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001733422636 1429630071 /nfs/dbraw/zinc/63/00/71/1429630071.db2.gz LHYXYQIJYALHGJ-PZJWPPBQSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001733458489 1429679677 /nfs/dbraw/zinc/67/96/77/1429679677.db2.gz LIIMQNUHSYTLSN-YFVAEKQCSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733469654 1429704052 /nfs/dbraw/zinc/70/40/52/1429704052.db2.gz YDYRAWQPFNLKPZ-KTBYTZPXSA-N 2 0 349.563 3.437 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001722945857 1424272023 /nfs/dbraw/zinc/27/20/23/1424272023.db2.gz RYTPUEVNNRHHEV-RBUKOAKNSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001723313002 1424346743 /nfs/dbraw/zinc/34/67/43/1424346743.db2.gz VVLKJGFCMRXWRZ-PMACEKPBSA-N 2 0 347.547 3.092 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)C ZINC001723390268 1424383239 /nfs/dbraw/zinc/38/32/39/1424383239.db2.gz VRQIQPQSTLJBMW-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001723633094 1424499733 /nfs/dbraw/zinc/49/97/33/1424499733.db2.gz DBLFHDFIWDOLDJ-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001723860420 1424589139 /nfs/dbraw/zinc/58/91/39/1424589139.db2.gz LZKXFAQXQZDTMV-PKOBYXMFSA-N 2 0 345.531 3.231 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1=CCCCC1 ZINC001724119184 1424673024 /nfs/dbraw/zinc/67/30/24/1424673024.db2.gz VCSZCWLVVFXHMQ-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001724161808 1424697977 /nfs/dbraw/zinc/69/79/77/1424697977.db2.gz KTMGRQIKAXJZJP-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724182378 1424715374 /nfs/dbraw/zinc/71/53/74/1424715374.db2.gz AFEDQLXYFPPMCG-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724182380 1424715958 /nfs/dbraw/zinc/71/59/58/1424715958.db2.gz AFEDQLXYFPPMCG-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724213617 1424736190 /nfs/dbraw/zinc/73/61/90/1424736190.db2.gz HWXYXISJAFMEAV-GGVAOPBYSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724300994 1424784573 /nfs/dbraw/zinc/78/45/73/1424784573.db2.gz MAZNOUMGOALCIG-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001724301825 1424785491 /nfs/dbraw/zinc/78/54/91/1424785491.db2.gz GILDYOXDEKNRAY-MOPGFXCFSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC1)C2 ZINC001724500962 1424877539 /nfs/dbraw/zinc/87/75/39/1424877539.db2.gz JJZHFICTEKNEHA-LNLFQRSKSA-N 2 0 347.547 3.019 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)C)[NH+](C)C ZINC001733563171 1429761789 /nfs/dbraw/zinc/76/17/89/1429761789.db2.gz KTDUQTQBPGZAEM-FCGDIQPGSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724556283 1424911322 /nfs/dbraw/zinc/91/13/22/1424911322.db2.gz XDDKVUQYEPEMLZ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001733565246 1429766406 /nfs/dbraw/zinc/76/64/06/1429766406.db2.gz DWZOZHFVUYAISP-YSTOQKLRSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724609376 1424947160 /nfs/dbraw/zinc/94/71/60/1424947160.db2.gz CYTKRPKGYMMBKB-GUDVDZBRSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724721680 1425073619 /nfs/dbraw/zinc/07/36/19/1425073619.db2.gz DXZGAFAJLOCHSL-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001724739685 1425103683 /nfs/dbraw/zinc/10/36/83/1425103683.db2.gz CLLUPBCSJMTBIZ-HXUWFJFHSA-N 2 0 345.531 3.123 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001724745385 1425113882 /nfs/dbraw/zinc/11/38/82/1425113882.db2.gz STJDADSWWADSHJ-MISYRCLQSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001724797939 1425166064 /nfs/dbraw/zinc/16/60/64/1425166064.db2.gz XJSJBCMLHUFPLK-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001724851727 1425216394 /nfs/dbraw/zinc/21/63/94/1425216394.db2.gz LIIPYWZXIHAQAN-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001724859426 1425241744 /nfs/dbraw/zinc/24/17/44/1425241744.db2.gz DWBWDOQJKHLBRI-MRXNPFEDSA-N 2 0 337.483 3.007 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001725050430 1425482916 /nfs/dbraw/zinc/48/29/16/1425482916.db2.gz ASTVCNJRRHRAMF-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001725059766 1425500077 /nfs/dbraw/zinc/50/00/77/1425500077.db2.gz SHHPBQMZEBJPSY-VZSQWMKGSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001725129604 1425597229 /nfs/dbraw/zinc/59/72/29/1425597229.db2.gz BJICKZPMCYHCBJ-LMDPOFIKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001725167162 1425672114 /nfs/dbraw/zinc/67/21/14/1425672114.db2.gz USNUNTNUPHTKIO-ROUUACIJSA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCC2)CCCCC1 ZINC001725223833 1425793290 /nfs/dbraw/zinc/79/32/90/1425793290.db2.gz NOXCSNFIDBEZHH-SFHVURJKSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001725244697 1425859403 /nfs/dbraw/zinc/85/94/03/1425859403.db2.gz AQFONUUNTNCRLO-LFAOLKIESA-N 2 0 349.544 3.216 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001725272109 1425907360 /nfs/dbraw/zinc/90/73/60/1425907360.db2.gz ROWNPWXUQCRYJU-ROUUACIJSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001725290591 1425934417 /nfs/dbraw/zinc/93/44/17/1425934417.db2.gz POJKCYJGTQMZAZ-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001725339305 1425987902 /nfs/dbraw/zinc/98/79/02/1425987902.db2.gz SHBOOOHFFVYKQC-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1F ZINC001725387858 1426034531 /nfs/dbraw/zinc/03/45/31/1426034531.db2.gz ODGPUPKKMAXSQK-LPHOPBHVSA-N 2 0 349.494 3.073 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001725389345 1426035495 /nfs/dbraw/zinc/03/54/95/1426035495.db2.gz MEWMSMJNSOJAHQ-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1[C@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001725574225 1426232105 /nfs/dbraw/zinc/23/21/05/1426232105.db2.gz JGGYKCISCZWLPS-IEYVCLCVSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1c(C(=O)N2C[C@@H]([NH2+]CCCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001725585324 1426241241 /nfs/dbraw/zinc/24/12/41/1426241241.db2.gz DPOVXXPJZVWVIP-RDJZCZTQSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588773 1426244110 /nfs/dbraw/zinc/24/41/10/1426244110.db2.gz JIYYRFLQQVGNKD-SJLPKXTDSA-N 2 0 349.544 3.093 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@@H]12 ZINC001725608119 1426265845 /nfs/dbraw/zinc/26/58/45/1426265845.db2.gz CZCNHRXFBVYJDW-QYIKYWQXSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001725627778 1426295187 /nfs/dbraw/zinc/29/51/87/1426295187.db2.gz KPCLGTTXRUZRLY-CUWPLCDZSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001725649555 1426332077 /nfs/dbraw/zinc/33/20/77/1426332077.db2.gz HSCVXCSRCISGIA-MOPGFXCFSA-N 2 0 349.563 3.339 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001725660163 1426342899 /nfs/dbraw/zinc/34/28/99/1426342899.db2.gz FCTVISRJMGQLBX-YZBXUTEPSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001725668046 1426351998 /nfs/dbraw/zinc/35/19/98/1426351998.db2.gz ZOOBOAWPSNNGFH-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001725779123 1426463306 /nfs/dbraw/zinc/46/33/06/1426463306.db2.gz AVBBPLIHEJBNSY-UHFFFAOYSA-N 2 0 347.547 3.020 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001725791851 1426477143 /nfs/dbraw/zinc/47/71/43/1426477143.db2.gz GFEDFKBCYGGQSM-UEKDZROGSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001725794207 1426479459 /nfs/dbraw/zinc/47/94/59/1426479459.db2.gz KPHQSSOPOANHER-ZMGAVLDPSA-N 2 0 347.547 3.044 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001725824794 1426499600 /nfs/dbraw/zinc/49/96/00/1426499600.db2.gz JEODMBIKYHTSSZ-INIZCTEOSA-N 2 0 346.519 3.163 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001731239503 1427196625 /nfs/dbraw/zinc/19/66/25/1427196625.db2.gz ANIJDRQZUANJDP-QUCCMNQESA-N 2 0 345.531 3.367 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001731262212 1427210351 /nfs/dbraw/zinc/21/03/51/1427210351.db2.gz GBJTYVJWHDXMHH-BJLQDIEVSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731278468 1427223333 /nfs/dbraw/zinc/22/33/33/1427223333.db2.gz UZBRGVWLTOLLCT-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CCc1ccc(C[N@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001731285456 1427229059 /nfs/dbraw/zinc/22/90/59/1427229059.db2.gz XUICFWVTQNCGGC-ROUUACIJSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CC1CCC(C)(C)CC1 ZINC001731323496 1427263943 /nfs/dbraw/zinc/26/39/43/1427263943.db2.gz YRPHIOQROLPTOV-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccsc1)C1CC1 ZINC001731346277 1427283739 /nfs/dbraw/zinc/28/37/39/1427283739.db2.gz LVFDIWPKJQRENB-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001731382484 1427321375 /nfs/dbraw/zinc/32/13/75/1427321375.db2.gz FYRHUTNAAAKUGZ-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001731384159 1427325556 /nfs/dbraw/zinc/32/55/56/1427325556.db2.gz AXCXTJXWEGSUGO-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001731387121 1427334197 /nfs/dbraw/zinc/33/41/97/1427334197.db2.gz GFPZNADUGXCOHT-IBGZPJMESA-N 2 0 337.552 3.364 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001731387474 1427335523 /nfs/dbraw/zinc/33/55/23/1427335523.db2.gz HTWDNMIBVGSJDA-UYAOXDASSA-N 2 0 349.563 3.362 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001731388219 1427337668 /nfs/dbraw/zinc/33/76/68/1427337668.db2.gz YOEZDLXPTGZNHO-ICSRJNTNSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)(C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1)[NH+]1CCCC1 ZINC001731401930 1427362090 /nfs/dbraw/zinc/36/20/90/1427362090.db2.gz LRIGTZYVPFMYLG-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001731416815 1427389128 /nfs/dbraw/zinc/38/91/28/1427389128.db2.gz NPRUFAVFHZWFGC-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731425110 1427405926 /nfs/dbraw/zinc/40/59/26/1427405926.db2.gz MLFUVYDSEOHFJJ-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)CC[N@@H+]1C ZINC001731464107 1427441491 /nfs/dbraw/zinc/44/14/91/1427441491.db2.gz FFPKYHXSNKLKTP-DWBSNAHUSA-N 2 0 349.563 3.265 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1)C1CCCCC1 ZINC001731480841 1427456840 /nfs/dbraw/zinc/45/68/40/1427456840.db2.gz JNTYSEKMIPJPND-KDURUIRLSA-N 2 0 343.515 3.078 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731517429 1427504755 /nfs/dbraw/zinc/50/47/55/1427504755.db2.gz JHCNXDWLBOZNNT-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001731522572 1427511576 /nfs/dbraw/zinc/51/15/76/1427511576.db2.gz DXDWRACPVWYXRC-LKGOPFMKSA-N 2 0 337.552 3.149 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555032 1427580317 /nfs/dbraw/zinc/58/03/17/1427580317.db2.gz QFCZAXGENDZBLT-PKOBYXMFSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001731696260 1427746467 /nfs/dbraw/zinc/74/64/67/1427746467.db2.gz AESXHZNGCYPTBS-OALUTQOASA-N 2 0 349.494 3.075 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001731701141 1427752814 /nfs/dbraw/zinc/75/28/14/1427752814.db2.gz UOVYTZPBWBNESF-RTBURBONSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccsc1 ZINC001731737574 1427820215 /nfs/dbraw/zinc/82/02/15/1427820215.db2.gz RWEUBDIRRIEUQF-OAHLLOKOSA-N 2 0 345.512 3.108 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001731760442 1427864917 /nfs/dbraw/zinc/86/49/17/1427864917.db2.gz DXBYUNIGKKBHGE-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001731761170 1427866569 /nfs/dbraw/zinc/86/65/69/1427866569.db2.gz QYXJFNFYKWGGRD-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)CC1=CCCCC1 ZINC001731777585 1427896121 /nfs/dbraw/zinc/89/61/21/1427896121.db2.gz FWVIDWMFFIMYFK-UHFFFAOYSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001731788116 1427924352 /nfs/dbraw/zinc/92/43/52/1427924352.db2.gz SVXCUORBILJFKV-OXQOHEQNSA-N 2 0 349.494 3.008 10 0 EGAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731870670 1428125909 /nfs/dbraw/zinc/12/59/09/1428125909.db2.gz KYFIFEAFCHRWIA-DLBZAZTESA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001733606461 1429820042 /nfs/dbraw/zinc/82/00/42/1429820042.db2.gz IZTWRLFBMLHAGD-IPMKNSEASA-N 2 0 349.563 3.076 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001733607774 1429825051 /nfs/dbraw/zinc/82/50/51/1429825051.db2.gz VYYWSXQOOUMCJF-SLFFLAALSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733651212 1429844018 /nfs/dbraw/zinc/84/40/18/1429844018.db2.gz DBIHOZOORQPZJH-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCC3)C2)CC1 ZINC001733660619 1429853347 /nfs/dbraw/zinc/85/33/47/1429853347.db2.gz DWQXOAAVYLOLJR-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001733691511 1429908201 /nfs/dbraw/zinc/90/82/01/1429908201.db2.gz IRIJTQRKMYYTFX-GUKTUGNZSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCC2)C1 ZINC001733725505 1429950796 /nfs/dbraw/zinc/95/07/96/1429950796.db2.gz APNQBCRGYSRPBO-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCC1 ZINC001733728355 1429958426 /nfs/dbraw/zinc/95/84/26/1429958426.db2.gz SNLHBVNYVQQUJW-UHFFFAOYSA-N 2 0 345.531 3.279 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001733804090 1430072289 /nfs/dbraw/zinc/07/22/89/1430072289.db2.gz XTHIGYUYOJDXCG-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP CCC1([NH2+]CC2CCCC2)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733806981 1430078334 /nfs/dbraw/zinc/07/83/34/1430078334.db2.gz HYLDQOBPJMXZNW-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCC(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)(C)C)C2 ZINC001733836352 1430110036 /nfs/dbraw/zinc/11/00/36/1430110036.db2.gz VBGHFUIKDSAICX-UHFFFAOYSA-N 2 0 345.531 3.396 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001733899122 1437716402 /nfs/dbraw/zinc/71/64/02/1437716402.db2.gz KCQKYDQVGGKTCP-MOPGFXCFSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001733907681 1437726651 /nfs/dbraw/zinc/72/66/51/1437726651.db2.gz UJSNVNXIFNOMBL-WOJBJXKFSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001733928392 1437741774 /nfs/dbraw/zinc/74/17/74/1437741774.db2.gz ISLLPFUFCVHDLO-QGZVFWFLSA-N 2 0 349.544 3.312 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733936731 1437751215 /nfs/dbraw/zinc/75/12/15/1437751215.db2.gz JTOGIKLKFMGUEY-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)C(C)C)c1ccccc1 ZINC001733937438 1437752280 /nfs/dbraw/zinc/75/22/80/1437752280.db2.gz IXKMXHVVUVSRNC-RTBURBONSA-N 2 0 331.504 3.011 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001733987233 1437783419 /nfs/dbraw/zinc/78/34/19/1437783419.db2.gz JNLKQWOYDVSMBG-ROUUACIJSA-N 2 0 347.547 3.264 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C)C1 ZINC001734050683 1437840574 /nfs/dbraw/zinc/84/05/74/1437840574.db2.gz FSJBGTIZOXSSHG-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001734095666 1437879573 /nfs/dbraw/zinc/87/95/73/1437879573.db2.gz ALHMQRSAEPTZJO-RBUKOAKNSA-N 2 0 337.552 3.173 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001734103267 1437888266 /nfs/dbraw/zinc/88/82/66/1437888266.db2.gz IGNWRQFRIFLMOF-KKHYBRAUSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001734118726 1437900195 /nfs/dbraw/zinc/90/01/95/1437900195.db2.gz IBAYNAJHHMYWQX-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734124728 1437903863 /nfs/dbraw/zinc/90/38/63/1437903863.db2.gz XOCUUFUJKKXJPJ-LXXRFIIISA-N 2 0 343.515 3.155 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001734196847 1437937836 /nfs/dbraw/zinc/93/78/36/1437937836.db2.gz HWOAKHCSVYSJSV-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2)[NH+](CC)CC ZINC001734196791 1437937973 /nfs/dbraw/zinc/93/79/73/1437937973.db2.gz GAIHQWZKSPJEPK-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001734197210 1437938559 /nfs/dbraw/zinc/93/85/59/1437938559.db2.gz MZFCYDKWEDCPEW-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001734327656 1438052173 /nfs/dbraw/zinc/05/21/73/1438052173.db2.gz YWEYWPAZGDYAOR-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001734327655 1438052189 /nfs/dbraw/zinc/05/21/89/1438052189.db2.gz YWEYWPAZGDYAOR-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001734332490 1438055544 /nfs/dbraw/zinc/05/55/44/1438055544.db2.gz UXALKMQOMLUHDQ-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734338875 1438059802 /nfs/dbraw/zinc/05/98/02/1438059802.db2.gz JGKOSSSCHWNQIW-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001734352419 1438070446 /nfs/dbraw/zinc/07/04/46/1438070446.db2.gz OIJSWETVYNXTEF-OAHLLOKOSA-N 2 0 347.528 3.180 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001734394686 1438080292 /nfs/dbraw/zinc/08/02/92/1438080292.db2.gz JVTPTKFAQBAIJJ-QFBILLFUSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001734398376 1438081685 /nfs/dbraw/zinc/08/16/85/1438081685.db2.gz GTYKNCMJZMTEIM-IEBWSBKVSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734420705 1438089755 /nfs/dbraw/zinc/08/97/55/1438089755.db2.gz RYDUMXWISFLQLU-LXORQPIJSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001734444802 1438106089 /nfs/dbraw/zinc/10/60/89/1438106089.db2.gz KEWHAPJPTSEDEL-GBESFXJTSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734476473 1438125516 /nfs/dbraw/zinc/12/55/16/1438125516.db2.gz NWJOFYCQGMVBQT-ROUUACIJSA-N 2 0 349.563 3.480 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734482342 1438127647 /nfs/dbraw/zinc/12/76/47/1438127647.db2.gz OBRDYLCOUIJWKI-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001734490145 1438130321 /nfs/dbraw/zinc/13/03/21/1438130321.db2.gz ZQMCUFBQDNKXKU-PMACEKPBSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001734503654 1438136415 /nfs/dbraw/zinc/13/64/15/1438136415.db2.gz FUACRYQOBRTJGT-IBGZPJMESA-N 2 0 345.531 3.235 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC001734507197 1438137429 /nfs/dbraw/zinc/13/74/29/1438137429.db2.gz HMQLKZQBRYYGTJ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)CC[NH+](C)C ZINC001734551724 1438149584 /nfs/dbraw/zinc/14/95/84/1438149584.db2.gz VNRDVZUMGJNDGS-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CC(=O)NC1(C2CC[NH+](CC3CCCC3)CC2)CC1)C1CCC1 ZINC001734606393 1438185874 /nfs/dbraw/zinc/18/58/74/1438185874.db2.gz WLVNWOQWZOPNGP-UHFFFAOYSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001734632657 1438193791 /nfs/dbraw/zinc/19/37/91/1438193791.db2.gz OCYNESZSHFRYFB-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+](CC)CC ZINC001750945002 1440117814 /nfs/dbraw/zinc/11/78/14/1440117814.db2.gz QGYIONVBOYGGIZ-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000368575878 168376070 /nfs/dbraw/zinc/37/60/70/168376070.db2.gz PBENTIOYUNJYRK-DZFGPLHGSA-N 2 0 330.516 3.223 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3occc32)(N2CCCCC2)CC1 ZINC000192906910 282695724 /nfs/dbraw/zinc/69/57/24/282695724.db2.gz QRQFSSPVRWEVLE-GOSISDBHSA-N 2 0 331.504 3.197 10 0 EGAERP CC[NH+](CC)CCn1c2ccc(C(F)(F)F)cc2nc1CCC[NH3+] ZINC000040405774 213299333 /nfs/dbraw/zinc/29/93/33/213299333.db2.gz KQWFHQOVGKUAEV-UHFFFAOYSA-N 2 0 342.409 3.288 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@@H](C)OC)CC1 ZINC000361017415 283349370 /nfs/dbraw/zinc/34/93/70/283349370.db2.gz NHAFPMIOQODBGR-GOSISDBHSA-N 2 0 333.520 3.075 10 0 EGAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262627524 296068952 /nfs/dbraw/zinc/06/89/52/296068952.db2.gz CLEQIFGTVGCFEA-FYQPLNBISA-N 2 0 347.547 3.022 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000242191261 243011975 /nfs/dbraw/zinc/01/19/75/243011975.db2.gz XEDNBZSHQADMMQ-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP COc1c(C)cnc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1C ZINC000110030844 220010292 /nfs/dbraw/zinc/01/02/92/220010292.db2.gz HNLCJJOORUMMDD-KRWDZBQOSA-N 2 0 340.471 3.344 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccsc1 ZINC000262088630 284820799 /nfs/dbraw/zinc/82/07/99/284820799.db2.gz CFFXQRBBPZKHHY-NRSFXHEJSA-N 2 0 349.544 3.168 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)[C@@H](C)C1 ZINC000246578211 141017172 /nfs/dbraw/zinc/01/71/72/141017172.db2.gz YLCFDUIHRMTKRM-XJKSGUPXSA-N 2 0 348.878 3.252 10 0 EGAERP FC(F)Cn1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000351349495 144262823 /nfs/dbraw/zinc/26/28/23/144262823.db2.gz HQHGKDRASJMWCE-INIZCTEOSA-N 2 0 340.462 3.236 10 0 EGAERP Cc1nccc(N2CC[NH+](C[C@H](C)c3cccc(Cl)c3)CC2)n1 ZINC000351592603 144284880 /nfs/dbraw/zinc/28/48/80/144284880.db2.gz KPNKEISAZGXUBV-AWEZNQCLSA-N 2 0 330.863 3.364 10 0 EGAERP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CC[C@@H](C)C1 ZINC000361643854 144342062 /nfs/dbraw/zinc/34/20/62/144342062.db2.gz NWQOBJJEDFXRDT-BEFAXECRSA-N 2 0 328.460 3.213 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249065522 286280445 /nfs/dbraw/zinc/28/04/45/286280445.db2.gz ZJCKIQJYJSETNJ-GUDVDZBRSA-N 2 0 338.536 3.062 10 0 EGAERP CC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)OCCCO1 ZINC000248950395 163046590 /nfs/dbraw/zinc/04/65/90/163046590.db2.gz BBPXXABRCOUSJL-VAMGGRTRSA-N 2 0 344.499 3.030 10 0 EGAERP O=C(CC[NH+]1CCC(c2ncc[nH]2)CC1)Nc1ccccc1Cl ZINC000345769512 164261728 /nfs/dbraw/zinc/26/17/28/164261728.db2.gz KVZTVYNJBCBQOR-UHFFFAOYSA-N 2 0 332.835 3.271 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOc1cccc(C)c1 ZINC000346134708 164346247 /nfs/dbraw/zinc/34/62/47/164346247.db2.gz NRQFLVIYPCLJLQ-UHFFFAOYSA-N 2 0 336.439 3.395 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@H](C)C3)cn2)CC1 ZINC000350897120 165078743 /nfs/dbraw/zinc/07/87/43/165078743.db2.gz NXBCSTKRYOVTIH-ZWKOTPCHSA-N 2 0 330.520 3.139 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1cccc(C[NH+]2CCCC2)c1 ZINC000350920380 165082643 /nfs/dbraw/zinc/08/26/43/165082643.db2.gz RCBVOHXFMDATAX-FQEVSTJZSA-N 2 0 343.515 3.163 10 0 EGAERP CC(C)[NH+]1CCC(N(C)Cc2ccc3c(c2)OC(F)(F)O3)CC1 ZINC000352122388 165246600 /nfs/dbraw/zinc/24/66/00/165246600.db2.gz BVTYESMPFOARGK-UHFFFAOYSA-N 2 0 326.387 3.313 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000367585587 168245302 /nfs/dbraw/zinc/24/53/02/168245302.db2.gz DQSQSESIQPPARG-GBESFXJTSA-N 2 0 328.504 3.034 10 0 EGAERP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367597285 168247389 /nfs/dbraw/zinc/24/73/89/168247389.db2.gz BJSYUAVMNPSXKH-XHSDSOJGSA-N 2 0 340.414 3.259 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CCC2CC[NH+](C)CC2)cc1NC(C)=O ZINC000125424269 222560943 /nfs/dbraw/zinc/56/09/43/222560943.db2.gz DBWLFSYNEOAQQQ-CQSZACIVSA-N 2 0 333.476 3.036 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)C1 ZINC000286969876 276064689 /nfs/dbraw/zinc/06/46/89/276064689.db2.gz IIGNRTHCXVQRBX-YYWHXJBOSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000289348363 276325589 /nfs/dbraw/zinc/32/55/89/276325589.db2.gz FXBXDKUIPGWKCL-INIZCTEOSA-N 2 0 329.463 3.267 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[C@H](C)O1 ZINC000353249510 288160239 /nfs/dbraw/zinc/16/02/39/288160239.db2.gz MSUGNZHWPPGMRH-PXTPFGJHSA-N 2 0 338.536 3.061 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C[C@@H](C)O1 ZINC000353249508 288160478 /nfs/dbraw/zinc/16/04/78/288160478.db2.gz MSUGNZHWPPGMRH-OUUBHVDSSA-N 2 0 338.536 3.061 10 0 EGAERP Cc1ccc([C@@H](CCn2cncn2)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414190408 309065882 /nfs/dbraw/zinc/06/58/82/309065882.db2.gz RPMLXGKKQVYAKN-HXUWFJFHSA-N 2 0 346.438 3.155 10 0 EGAERP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)ccc1C(F)(F)F ZINC000414354327 309074793 /nfs/dbraw/zinc/07/47/93/309074793.db2.gz XHAYMAQKUKXDGO-INIZCTEOSA-N 2 0 344.421 3.340 10 0 EGAERP C[N@H+](C[C@@H](O)C1CCCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000249032517 308017304 /nfs/dbraw/zinc/01/73/04/308017304.db2.gz FKXAEAJWXROPLE-PZJWPPBQSA-N 2 0 330.516 3.382 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H](C)O[C@H]2C)CC1 ZINC000414513392 309085752 /nfs/dbraw/zinc/08/57/52/309085752.db2.gz KDNPYDIWXPUHKP-HBFSDRIKSA-N 2 0 345.531 3.122 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCOCC2)[C@H]1C(C)C ZINC000414531821 309086748 /nfs/dbraw/zinc/08/67/48/309086748.db2.gz CWGOXFFMJNQSQM-LJQANCHMSA-N 2 0 340.471 3.213 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295872005 308369650 /nfs/dbraw/zinc/36/96/50/308369650.db2.gz GGOWZQSDIQEKJP-ZMWHVPEISA-N 2 0 327.516 3.112 10 0 EGAERP CCCC[N@H+](C[C@H]1CCCN(C(=O)C[NH3+])C1)[C@@H](CC)c1ccccc1 ZINC000414691037 309095603 /nfs/dbraw/zinc/09/56/03/309095603.db2.gz IKGIBVOAAMVPIF-QUCCMNQESA-N 2 0 345.531 3.437 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000414816265 309103395 /nfs/dbraw/zinc/10/33/95/309103395.db2.gz ZSVJTWCBAPANGW-UONOGXRCSA-N 2 0 329.419 3.352 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414822597 309103762 /nfs/dbraw/zinc/10/37/62/309103762.db2.gz NDZLKSWBGYSJHF-DYEKYZERSA-N 2 0 343.284 3.497 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414826576 309104121 /nfs/dbraw/zinc/10/41/21/309104121.db2.gz FSIXWVKJPBSBEE-RYUDHWBXSA-N 2 0 329.257 3.108 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000397571580 308904591 /nfs/dbraw/zinc/90/45/91/308904591.db2.gz YVCUWUXNKYSJQI-QWFCFKBJSA-N 2 0 330.516 3.428 10 0 EGAERP c1ccc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415046994 309116386 /nfs/dbraw/zinc/11/63/86/309116386.db2.gz DGDFMECOGXHPFR-XBCQCDMNSA-N 2 0 341.543 3.204 10 0 EGAERP c1nc(C2CCCC2)sc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415048215 309116406 /nfs/dbraw/zinc/11/64/06/309116406.db2.gz FXLBVAABWDGLOL-UHFFFAOYSA-N 2 0 348.560 3.107 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415057074 309117113 /nfs/dbraw/zinc/11/71/13/309117113.db2.gz TVJBWXVGAXHEQX-IEZWGBDMSA-N 2 0 334.479 3.477 10 0 EGAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000415103021 309120643 /nfs/dbraw/zinc/12/06/43/309120643.db2.gz FIUUPJNPGIMVOL-UXHICEINSA-N 2 0 332.488 3.064 10 0 EGAERP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000415131027 309122750 /nfs/dbraw/zinc/12/27/50/309122750.db2.gz RSTDEYZVFBMGGE-PZJWPPBQSA-N 2 0 344.499 3.194 10 0 EGAERP C[C@@H](CCC(F)(F)F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137935 309123254 /nfs/dbraw/zinc/12/32/54/309123254.db2.gz UMVODKBMQKTMGT-HNNXBMFYSA-N 2 0 343.437 3.301 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)N2CC[C@H]3CC[C@@H](C2)[N@@H+]3C(C)C)c1 ZINC000415900353 309146844 /nfs/dbraw/zinc/14/68/44/309146844.db2.gz ABOMMXLYEQUMFL-MOPGFXCFSA-N 2 0 344.503 3.275 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C(CC)CC)[NH+](C)C ZINC000415962235 309151445 /nfs/dbraw/zinc/15/14/45/309151445.db2.gz WXYZDASACVAQGH-SFHVURJKSA-N 2 0 334.508 3.284 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000415994814 309153683 /nfs/dbraw/zinc/15/36/83/309153683.db2.gz ISTMLNDYTWLCPB-OAHLLOKOSA-N 2 0 330.476 3.066 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000421880183 309344818 /nfs/dbraw/zinc/34/48/18/309344818.db2.gz QCWUORVXHDPUDH-NFOMZHRRSA-N 2 0 347.894 3.444 10 0 EGAERP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422703100 309363901 /nfs/dbraw/zinc/36/39/01/309363901.db2.gz HAMVHYOADVYECS-VRXWPRPYSA-N 2 0 343.515 3.174 10 0 EGAERP CCOc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)ccc1OC ZINC000422727392 309365258 /nfs/dbraw/zinc/36/52/58/309365258.db2.gz HIJVHLUBDLEGRC-CYBMUJFWSA-N 2 0 329.444 3.107 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422743744 309366259 /nfs/dbraw/zinc/36/62/59/309366259.db2.gz JFEPJIRDMQFWKK-ZIAGYGMSSA-N 2 0 338.879 3.312 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752650 309366683 /nfs/dbraw/zinc/36/66/83/309366683.db2.gz CVAVMOVEGOMZIO-QAPCUYQASA-N 2 0 342.462 3.307 10 0 EGAERP C[C@H](Cc1cccc(Br)c1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422753074 309366716 /nfs/dbraw/zinc/36/67/16/309366716.db2.gz DJOUVBMWYSDQKU-VEAWUBTESA-N 2 0 325.294 3.487 10 0 EGAERP COc1ccc([C@H](NC2CC[NH+](CC(C)C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422816928 309369851 /nfs/dbraw/zinc/36/98/51/309369851.db2.gz GMFGQODUJQDHNU-RTWAWAEBSA-N 2 0 345.531 3.198 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC(C)(C)c1ccc2c(c1)OCO2 ZINC000422818253 309370170 /nfs/dbraw/zinc/37/01/70/309370170.db2.gz FUPILCVWGROANO-CYBMUJFWSA-N 2 0 341.455 3.206 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818232 309370210 /nfs/dbraw/zinc/37/02/10/309370210.db2.gz FSFYGKYYUFMQMB-OAHLLOKOSA-N 2 0 330.520 3.296 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871269 309373008 /nfs/dbraw/zinc/37/30/08/309373008.db2.gz YNGOXMBOUKHEIU-UKRRQHHQSA-N 2 0 346.425 3.056 10 0 EGAERP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422879165 309373602 /nfs/dbraw/zinc/37/36/02/309373602.db2.gz UUQLPDPQXRKHCX-CIRFHOKZSA-N 2 0 348.922 3.214 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CCCCC[C@H]2[NH3+])CCOCC1 ZINC000422895719 309374918 /nfs/dbraw/zinc/37/49/18/309374918.db2.gz GKFFYHURCIAVSO-MOPGFXCFSA-N 2 0 346.515 3.301 10 0 EGAERP C[C@H]1CC[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422901435 309375257 /nfs/dbraw/zinc/37/52/57/309375257.db2.gz CAGYNNQMIJPTDZ-XCDJFROHSA-N 2 0 327.516 3.160 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422911862 309375717 /nfs/dbraw/zinc/37/57/17/309375717.db2.gz UPBJYQYGDAOBNC-OAHLLOKOSA-N 2 0 332.410 3.327 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422921668 309376162 /nfs/dbraw/zinc/37/61/62/309376162.db2.gz OOMKFVXBMVBTNF-HBGVWJBISA-N 2 0 343.515 3.240 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000422919108 309376184 /nfs/dbraw/zinc/37/61/84/309376184.db2.gz JKOXKXBTXNRESS-LJQANCHMSA-N 2 0 328.456 3.206 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422921667 309376186 /nfs/dbraw/zinc/37/61/86/309376186.db2.gz OOMKFVXBMVBTNF-CZAAIQMYSA-N 2 0 343.515 3.240 10 0 EGAERP COC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422953601 309377780 /nfs/dbraw/zinc/37/77/80/309377780.db2.gz FULBWUHJMDAEAB-SVFBPWRDSA-N 2 0 338.451 3.220 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033683 309381968 /nfs/dbraw/zinc/38/19/68/309381968.db2.gz ZPCRZRFPAVLKGL-PKOBYXMFSA-N 2 0 347.890 3.362 10 0 EGAERP COc1ccc([C@H](NC2CC([NH+]3CCCCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423099390 309385903 /nfs/dbraw/zinc/38/59/03/309385903.db2.gz UATWJCLCGBFWEB-FMFRFZGHSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423125894 309387188 /nfs/dbraw/zinc/38/71/88/309387188.db2.gz IIIWNMCXWNKWJE-DNVCBOLYSA-N 2 0 328.431 3.349 10 0 EGAERP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423176255 309389197 /nfs/dbraw/zinc/38/91/97/309389197.db2.gz FYYLRSBBZQENAK-PSGMQZRDSA-N 2 0 325.456 3.312 10 0 EGAERP C[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000423204934 309390308 /nfs/dbraw/zinc/39/03/08/309390308.db2.gz AVRACNIWZKUSSD-QEJZJMRPSA-N 2 0 337.305 3.284 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(N2CCOCC2)c1 ZINC000423291960 309394050 /nfs/dbraw/zinc/39/40/50/309394050.db2.gz KTRAWEQPJOJROJ-DLBZAZTESA-N 2 0 339.483 3.394 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423293652 309394324 /nfs/dbraw/zinc/39/43/24/309394324.db2.gz RUXORLAOARHCHD-XGHQBKJUSA-N 3 0 338.499 3.102 10 0 EGAERP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423295988 309394377 /nfs/dbraw/zinc/39/43/77/309394377.db2.gz YCPMEUNMELJRSV-GJZGRUSLSA-N 2 0 342.439 3.109 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400344 309398540 /nfs/dbraw/zinc/39/85/40/309398540.db2.gz VBJDDRMOGVXLAW-MRVWCRGKSA-N 2 0 347.450 3.112 10 0 EGAERP COC[C@]1(CNC2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCC[NH2+]1 ZINC000423412268 309399129 /nfs/dbraw/zinc/39/91/29/309399129.db2.gz HLIYCQZXHBURFP-HXUWFJFHSA-N 2 0 339.568 3.024 10 0 EGAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423521191 309404569 /nfs/dbraw/zinc/40/45/69/309404569.db2.gz FZOPHZQTXWEQAR-OALUTQOASA-N 2 0 329.532 3.394 10 0 EGAERP CS[C@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000425362647 309476120 /nfs/dbraw/zinc/47/61/20/309476120.db2.gz VKQUDUZROGBNHQ-MOPGFXCFSA-N 2 0 334.529 3.187 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449071989 310034686 /nfs/dbraw/zinc/03/46/86/310034686.db2.gz CZRVZQDRAIUNCR-QUCCMNQESA-N 2 0 341.543 3.156 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084976 310035778 /nfs/dbraw/zinc/03/57/78/310035778.db2.gz ZKDAETUJLGYCSG-WOJBJXKFSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449123662 310038800 /nfs/dbraw/zinc/03/88/00/310038800.db2.gz OCARZCSXHPNBHD-HHXXYDBFSA-N 2 0 335.923 3.202 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](C)[N@H+](C)C2CC2)CC1 ZINC000449133105 310039343 /nfs/dbraw/zinc/03/93/43/310039343.db2.gz CMJKLTFRACNMRZ-MSOLQXFVSA-N 2 0 329.532 3.154 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@@H]2CCO)CC1 ZINC000449261755 310048173 /nfs/dbraw/zinc/04/81/73/310048173.db2.gz FEFTVDVXZJCTOK-YFVAEKQCSA-N 2 0 330.516 3.223 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000453070778 310255889 /nfs/dbraw/zinc/25/58/89/310255889.db2.gz CCEVMADPVZCLNN-QGZVFWFLSA-N 2 0 334.504 3.202 10 0 EGAERP Cn1ccc([C@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccc(F)cc2)n1 ZINC000453389310 310274378 /nfs/dbraw/zinc/27/43/78/310274378.db2.gz CBGXELKTHRXVBH-LJQANCHMSA-N 2 0 330.451 3.113 10 0 EGAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000494881711 311519992 /nfs/dbraw/zinc/51/99/92/311519992.db2.gz WYWCABNYSLJTHJ-LJQANCHMSA-N 2 0 343.515 3.209 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccnc(C)c3)CC2)cc1 ZINC000527647660 312897755 /nfs/dbraw/zinc/89/77/55/312897755.db2.gz OOPIOGTVUGMSBS-UHFFFAOYSA-N 2 0 339.483 3.400 10 0 EGAERP C[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)c(F)c1 ZINC000535777546 314072970 /nfs/dbraw/zinc/07/29/70/314072970.db2.gz JOKWKYXSPVIIPY-DZGCQCFKSA-N 2 0 328.859 3.367 10 0 EGAERP Cc1cc([C@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C2CC2)ccc1F ZINC000539164607 314299442 /nfs/dbraw/zinc/29/94/42/314299442.db2.gz XGLPYCSTVIFNKV-HXUWFJFHSA-N 2 0 333.495 3.202 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000547431853 314901315 /nfs/dbraw/zinc/90/13/15/314901315.db2.gz APSJZMVASQUYJA-KGLIPLIRSA-N 2 0 327.875 3.156 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000552245400 315208815 /nfs/dbraw/zinc/20/88/15/315208815.db2.gz ZJOJGCVZRUEPPF-BVBHFADKSA-N 2 0 333.907 3.381 10 0 EGAERP COc1ccc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1OCC(C)C ZINC000565481079 316329718 /nfs/dbraw/zinc/32/97/18/316329718.db2.gz NNYNZSARNPEEIN-HXUWFJFHSA-N 2 0 332.488 3.306 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000570310206 317038493 /nfs/dbraw/zinc/03/84/93/317038493.db2.gz QRGIAFURLCUYIH-VHDGCEQUSA-N 2 0 344.286 3.230 10 0 EGAERP COc1ccc([C@@H](NCC2([NH3+])CCCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000570507830 317065542 /nfs/dbraw/zinc/06/55/42/317065542.db2.gz BRPMTOAZWPKESJ-RBUKOAKNSA-N 2 0 331.504 3.130 10 0 EGAERP COCC[NH2+]C1CCN([C@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000570808719 317111074 /nfs/dbraw/zinc/11/10/74/317111074.db2.gz XPRAPXJQLXFAHN-CYBMUJFWSA-N 2 0 346.393 3.347 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CC(C)=C[C@@H](C)C3)cn2)CC1 ZINC000571334823 317184726 /nfs/dbraw/zinc/18/47/26/317184726.db2.gz UODOYPIQRMGNAV-YLJYHZDGSA-N 2 0 342.531 3.306 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006905 325049463 /nfs/dbraw/zinc/04/94/63/325049463.db2.gz RUZYGKJXWXTQHW-SJLPKXTDSA-N 2 0 343.515 3.076 10 0 EGAERP Cc1nnc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000580681225 325282025 /nfs/dbraw/zinc/28/20/25/325282025.db2.gz SXOHPMQBXDVLER-BCDXTJNWSA-N 2 0 342.512 3.174 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC1(C)C ZINC000623450027 460555572 /nfs/dbraw/zinc/55/55/72/460555572.db2.gz UDLHCXXGHZIKRP-LBPRGKRZSA-N 2 0 332.275 3.230 10 0 EGAERP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245575226 455333612 /nfs/dbraw/zinc/33/36/12/455333612.db2.gz HOVWNMZFYVOKJM-ROUUACIJSA-N 2 0 334.508 3.195 10 0 EGAERP c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2)nc1 ZINC000631890785 460591167 /nfs/dbraw/zinc/59/11/67/460591167.db2.gz VGRZEYMGVKMCJZ-WIYYLYMNSA-N 2 0 337.467 3.235 10 0 EGAERP CCS(=O)(=O)c1ccc([C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517582 460592557 /nfs/dbraw/zinc/59/25/57/460592557.db2.gz KQKPDLREXPMMCY-GOEBONIOSA-N 2 0 338.517 3.004 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)c1OC ZINC000623532496 460600242 /nfs/dbraw/zinc/60/02/42/460600242.db2.gz VUVUKKPPDDEXCI-CQSZACIVSA-N 2 0 340.895 3.362 10 0 EGAERP O[C@@H](C[NH+]1CCC(C[NH2+]CCc2cccs2)CC1)c1ccccc1 ZINC000075603047 453909981 /nfs/dbraw/zinc/90/99/81/453909981.db2.gz AOZAQSMTZCBSPZ-FQEVSTJZSA-N 2 0 344.524 3.326 10 0 EGAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000119732037 454217094 /nfs/dbraw/zinc/21/70/94/454217094.db2.gz BQZBLIHFDDZTTI-GOSISDBHSA-N 2 0 345.531 3.409 10 0 EGAERP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000132982137 454383137 /nfs/dbraw/zinc/38/31/37/454383137.db2.gz BEYODAMWDUZQLX-CABCVRRESA-N 2 0 334.529 3.388 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CC3 ZINC000123112408 454602971 /nfs/dbraw/zinc/60/29/71/454602971.db2.gz FBERTKIUFGLSGX-HOTGVXAUSA-N 2 0 341.499 3.355 10 0 EGAERP Clc1cc(CN2CC[C@H](C[NH+]3CCCC3)C2)c2c(c1)COCO2 ZINC000150808653 454895454 /nfs/dbraw/zinc/89/54/54/454895454.db2.gz QIYQWHGLEXYONV-CQSZACIVSA-N 2 0 336.863 3.124 10 0 EGAERP CC[C@@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cccc(OC)c1 ZINC000154463285 454898641 /nfs/dbraw/zinc/89/86/41/454898641.db2.gz ICRDECGIAXJRPJ-HXUWFJFHSA-N 2 0 333.520 3.154 10 0 EGAERP O[C@H](CN[C@@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287724 454963507 /nfs/dbraw/zinc/96/35/07/454963507.db2.gz WQYKNPMNJPQUNI-GDBMZVCRSA-N 2 0 340.920 3.313 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CCOCC1 ZINC000180170918 455144272 /nfs/dbraw/zinc/14/42/72/455144272.db2.gz OEZASGMLTOSAMM-LRGNLBRXSA-N 2 0 328.500 3.302 10 0 EGAERP Cc1cc(C[C@@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000245646288 455346425 /nfs/dbraw/zinc/34/64/25/455346425.db2.gz BNWVZZDBFDLJCE-SKBHOOIQSA-N 2 0 338.499 3.434 10 0 EGAERP Clc1nc2ccccn2c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245720459 455363626 /nfs/dbraw/zinc/36/36/26/455363626.db2.gz DHCZQZXOXXWHOB-GOEBONIOSA-N 2 0 344.890 3.436 10 0 EGAERP CC[C@@H](C)NC(=O)CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737187 455368759 /nfs/dbraw/zinc/36/87/59/455368759.db2.gz QZCCXLBFKXVQNT-AFYVEPGGSA-N 2 0 343.515 3.076 10 0 EGAERP COc1cc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC(C)C ZINC000245750863 455373097 /nfs/dbraw/zinc/37/30/97/455373097.db2.gz HCTCOCPLHACBAQ-ROUUACIJSA-N 2 0 332.488 3.399 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC[N@@H+](Cc2cnn(C)c2)CC1 ZINC000185298882 455536076 /nfs/dbraw/zinc/53/60/76/455536076.db2.gz HGVOAEPDXGSCOF-UHFFFAOYSA-N 2 0 349.482 3.297 10 0 EGAERP COc1cccc(-c2nc(CN3CC[C@]4(CC[N@H+](C)C4)C3)cs2)c1 ZINC000292241797 455606557 /nfs/dbraw/zinc/60/65/57/455606557.db2.gz WVPPLRZZOHLTTA-IBGZPJMESA-N 2 0 343.496 3.346 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247497204 455613359 /nfs/dbraw/zinc/61/33/59/455613359.db2.gz USOAHBSVUHRXGZ-UHOSZYNNSA-N 2 0 331.504 3.011 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000268895085 455722276 /nfs/dbraw/zinc/72/22/76/455722276.db2.gz ARVQBOHEEHUCCW-WLRLJWMZSA-N 2 0 329.532 3.359 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268906586 455725426 /nfs/dbraw/zinc/72/54/26/455725426.db2.gz QCOGDVVLGBSVGD-GOSISDBHSA-N 2 0 345.531 3.296 10 0 EGAERP CO[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000249156194 455745804 /nfs/dbraw/zinc/74/58/04/455745804.db2.gz IHKBPJMWKWQVDX-LAUBAEHRSA-N 2 0 345.531 3.074 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCOCC2 ZINC000186336144 455746328 /nfs/dbraw/zinc/74/63/28/455746328.db2.gz ZSEPHGBDKYDUCS-RTBURBONSA-N 2 0 338.536 3.206 10 0 EGAERP C[C@H]1c2ccc(F)cc2CCN1C[C@@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606540409 460693498 /nfs/dbraw/zinc/69/34/98/460693498.db2.gz NARKVQWHTXTGHK-JXFKEZNVSA-N 2 0 342.458 3.238 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C[C@@H](C)c2cccc(Cl)c2)CC1 ZINC000187221088 455883863 /nfs/dbraw/zinc/88/38/63/455883863.db2.gz PZUYTMSNTSELQP-CVEARBPZSA-N 2 0 338.923 3.468 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCNc2ccccn2)C3)cc1 ZINC000272373301 455930129 /nfs/dbraw/zinc/93/01/29/455930129.db2.gz CFUKPDOYBJDWNM-ACDBMABISA-N 2 0 336.483 3.279 10 0 EGAERP CN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000261694480 455930440 /nfs/dbraw/zinc/93/04/40/455930440.db2.gz HZSNQIWZWBQLCW-SWLSCSKDSA-N 2 0 339.277 3.204 10 0 EGAERP C[C@]1(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000261778823 455946252 /nfs/dbraw/zinc/94/62/52/455946252.db2.gz NTMYYKRLSAFBJE-FQEVSTJZSA-N 2 0 327.447 3.265 10 0 EGAERP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)c1 ZINC000261946662 455976123 /nfs/dbraw/zinc/97/61/23/455976123.db2.gz NSCDHDSWYSHAHX-VAMGGRTRSA-N 2 0 346.515 3.110 10 0 EGAERP Fc1ccc(C2=CC[C@H]([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000272589753 456005344 /nfs/dbraw/zinc/00/53/44/456005344.db2.gz WHZGENQWNFDTPC-FQEVSTJZSA-N 2 0 332.463 3.464 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272688711 456039679 /nfs/dbraw/zinc/03/96/79/456039679.db2.gz OZLWRFBMXLFJOE-PCCBWWKXSA-N 3 0 329.532 3.219 10 0 EGAERP C[C@H](C1CC[NH+](C)CC1)N(C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000270986075 456087853 /nfs/dbraw/zinc/08/78/53/456087853.db2.gz WHEJJCLNOAGKDW-QGZVFWFLSA-N 2 0 343.515 3.085 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCN2CC=CCC2)C3)cc1 ZINC000280959775 456092841 /nfs/dbraw/zinc/09/28/41/456092841.db2.gz KJABGBXCQGAYKS-WKCHPHFGSA-N 2 0 325.500 3.034 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000229435581 456128351 /nfs/dbraw/zinc/12/83/51/456128351.db2.gz JVFLPFFXCOVRMI-SJORKVTESA-N 2 0 332.492 3.044 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CNCC[N@H+](C)[C@@H](C)CC)CC1 ZINC000236783251 456183680 /nfs/dbraw/zinc/18/36/80/456183680.db2.gz ALUBVCBTRFCLSZ-IBGZPJMESA-N 2 0 346.563 3.039 10 0 EGAERP c1ccc(CC[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)cc1 ZINC000271292171 456208639 /nfs/dbraw/zinc/20/86/39/456208639.db2.gz QJGYRPGPVZWMHR-HSZRJFAPSA-N 2 0 349.522 3.121 10 0 EGAERP CCCc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301789299 456214793 /nfs/dbraw/zinc/21/47/93/456214793.db2.gz MLXNDFQGETVRQQ-HZPDHXFCSA-N 2 0 327.472 3.079 10 0 EGAERP C[NH+](C)CCCC[NH2+]CC1=Cc2cc(Br)ccc2OC1 ZINC000263804450 456227988 /nfs/dbraw/zinc/22/79/88/456227988.db2.gz KVJBYDRBPQIKKV-UHFFFAOYSA-N 2 0 339.277 3.156 10 0 EGAERP Cc1nc2scc(C3CC3)n2c1CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000297847066 456308177 /nfs/dbraw/zinc/30/81/77/456308177.db2.gz OHGZCDMMWDRVJW-SWLSCSKDSA-N 2 0 332.517 3.496 10 0 EGAERP Cn1cncc1CC[N@H+](CCCO)C(c1ccccc1)c1ccccc1 ZINC000298411824 456449231 /nfs/dbraw/zinc/44/92/31/456449231.db2.gz MEYGCNCIAAHPAZ-UHFFFAOYSA-N 2 0 349.478 3.437 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@H]3C(C)(C)C)cn2)CC1 ZINC000348082988 456465173 /nfs/dbraw/zinc/46/51/73/456465173.db2.gz JHHWPOJPEBYXQL-QZTJIDSGSA-N 2 0 330.520 3.138 10 0 EGAERP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281925 462382447 /nfs/dbraw/zinc/38/24/47/462382447.db2.gz MIFIRNWZEYVKTL-WOJBJXKFSA-N 2 0 327.472 3.337 10 0 EGAERP CC(C)n1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)cn1 ZINC000282740199 456610089 /nfs/dbraw/zinc/61/00/89/456610089.db2.gz NDIGSSWJOYPQTJ-QGZVFWFLSA-N 2 0 327.476 3.376 10 0 EGAERP COC1(C[C@@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000277057218 456666867 /nfs/dbraw/zinc/66/68/67/456666867.db2.gz HRXIMQXTPHKXEL-UYAOXDASSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C[N@@H+]1Cc1ccccc1 ZINC000353396300 456673403 /nfs/dbraw/zinc/67/34/03/456673403.db2.gz SOJXKGWWSSPIRE-PPQDBTBKSA-N 2 0 327.516 3.112 10 0 EGAERP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccc(Cl)c1 ZINC000341304088 456837491 /nfs/dbraw/zinc/83/74/91/456837491.db2.gz STRYMGAWJMRMGH-GOSISDBHSA-N 2 0 349.906 3.124 10 0 EGAERP Cc1cc(C)c(NC(=O)CCC[NH+]2CC[C@@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292151627 456869450 /nfs/dbraw/zinc/86/94/50/456869450.db2.gz NNRCYKXSXKPZTO-OAQYLSRUSA-N 2 0 343.515 3.358 10 0 EGAERP CCC1(C[NH2+]C2CCN(C)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000362644062 457021991 /nfs/dbraw/zinc/02/19/91/457021991.db2.gz YYEJGYDJWSGRGX-UHFFFAOYSA-N 2 0 329.532 3.363 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC1CC[NH+](Cc2ccccc2)CC1 ZINC000349970702 457126519 /nfs/dbraw/zinc/12/65/19/457126519.db2.gz XVDBUDRARMDKMK-HXUWFJFHSA-N 2 0 343.515 3.032 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000355413781 457371579 /nfs/dbraw/zinc/37/15/79/457371579.db2.gz UVSYXSUMXMYYJM-WSTZPKSXSA-N 2 0 343.515 3.030 10 0 EGAERP Cc1ccccc1[C@]1(F)CC[N@@H+](CCCN2CC[NH+](C(C)C)CC2)C1 ZINC000374339407 457591135 /nfs/dbraw/zinc/59/11/35/457591135.db2.gz XOVCSQCAVCPKHM-NRFANRHFSA-N 2 0 347.522 3.282 10 0 EGAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620817 457683464 /nfs/dbraw/zinc/68/34/64/457683464.db2.gz XWXDDAIKWAIZIM-UTKZUKDTSA-N 2 0 342.527 3.149 10 0 EGAERP Cc1cnn(CC[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)c1 ZINC000370682684 457699752 /nfs/dbraw/zinc/69/97/52/457699752.db2.gz GWOOOFVCSUVQPJ-UHFFFAOYSA-N 2 0 338.499 3.180 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC(n2ccnc2)CC1 ZINC000366467692 457816825 /nfs/dbraw/zinc/81/68/25/457816825.db2.gz HWNARBSRKFWHST-UHFFFAOYSA-N 2 0 326.375 3.421 10 0 EGAERP Cc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)oc1C ZINC000367077531 457926395 /nfs/dbraw/zinc/92/63/95/457926395.db2.gz JSCCQCOVLCSJIT-KRWDZBQOSA-N 2 0 333.520 3.497 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000427451238 457989841 /nfs/dbraw/zinc/98/98/41/457989841.db2.gz PEBYFWXRHCKKSO-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CC(C)(C)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000412030680 458052973 /nfs/dbraw/zinc/05/29/73/458052973.db2.gz ACQZRZFKDFCANV-KRWDZBQOSA-N 2 0 343.515 3.019 10 0 EGAERP CCN(C(=O)c1coc(C[NH3+])c1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000372904899 458345645 /nfs/dbraw/zinc/34/56/45/458345645.db2.gz LGZXEKYNSJGAJR-MAUKXSAKSA-N 2 0 341.455 3.036 10 0 EGAERP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459656803 458437981 /nfs/dbraw/zinc/43/79/81/458437981.db2.gz HEOJAJZCCHTSHI-WBVHZDCISA-N 2 0 329.444 3.326 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000423480205 458439194 /nfs/dbraw/zinc/43/91/94/458439194.db2.gz NEOPHJHKNULJDB-DAWZGUTISA-N 2 0 337.458 3.016 10 0 EGAERP Cc1cc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)ccc1F ZINC000423505942 458446116 /nfs/dbraw/zinc/44/61/16/458446116.db2.gz IFHXQODUWQVRKF-GZNCHQMQSA-N 2 0 345.506 3.391 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2CC[C@@H]4C[NH2+]C[C@H]4C2)C3)cc1 ZINC000423557515 458457072 /nfs/dbraw/zinc/45/70/72/458457072.db2.gz ZWPMTHGSNVUKSS-PYXMZCFHSA-N 3 0 339.527 3.160 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CCC[NH2+]C1CC1 ZINC000423563214 458458466 /nfs/dbraw/zinc/45/84/66/458458466.db2.gz RDPZOFIWBHGHKF-CQSZACIVSA-N 2 0 327.241 3.307 10 0 EGAERP OCCN1CCCC[C@@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000453273256 458522996 /nfs/dbraw/zinc/52/29/96/458522996.db2.gz VNKNMABJPJXLLU-CJNGLKHVSA-N 2 0 340.920 3.313 10 0 EGAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431790230 458624784 /nfs/dbraw/zinc/62/47/84/458624784.db2.gz FRMLCYDUDNYQRV-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(OC)C2CC2)CC1 ZINC000462903854 458666358 /nfs/dbraw/zinc/66/63/58/458666358.db2.gz DDCCWZBRZUYBDS-NRFANRHFSA-N 2 0 345.531 3.123 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)[C@@H]3CCC[C@@H]32)cc1 ZINC000530217232 458719267 /nfs/dbraw/zinc/71/92/67/458719267.db2.gz SJNRGUQCOSCOSF-XSDIEEQYSA-N 2 0 339.527 3.304 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000476264359 458990146 /nfs/dbraw/zinc/99/01/46/458990146.db2.gz VRWABNWOBMBHNU-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000520044973 459029008 /nfs/dbraw/zinc/02/90/08/459029008.db2.gz LPWVTZGKCHRJPH-GOSISDBHSA-N 2 0 349.563 3.364 10 0 EGAERP c1c(C[NH2+]C[C@H]2CCC[NH2+]C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000520197332 459038149 /nfs/dbraw/zinc/03/81/49/459038149.db2.gz JCVFJLVWBSSOGC-INIZCTEOSA-N 2 0 339.487 3.149 10 0 EGAERP CCOC(=O)c1oc2c(c1C)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000594508067 459068550 /nfs/dbraw/zinc/06/85/50/459068550.db2.gz AHFBSWRDGLSPJU-ZNMIVQPWSA-N 2 0 334.460 3.072 10 0 EGAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c2ccc(F)cc21 ZINC000521921855 459193580 /nfs/dbraw/zinc/19/35/80/459193580.db2.gz SPXAJGLCHWCBAF-FHWLQOOXSA-N 2 0 329.463 3.322 10 0 EGAERP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)Cc1ccc(C(F)(F)F)cc1 ZINC000578436262 459200580 /nfs/dbraw/zinc/20/05/80/459200580.db2.gz JCUBMQKHXHQWBP-QGZVFWFLSA-N 2 0 349.356 3.046 10 0 EGAERP COc1ccncc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582605605 459393424 /nfs/dbraw/zinc/39/34/24/459393424.db2.gz HNXWZGJFUMCNIX-LJQANCHMSA-N 2 0 337.467 3.377 10 0 EGAERP C[C@H]1CC[N@H+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000562495783 459572894 /nfs/dbraw/zinc/57/28/94/459572894.db2.gz SYYQIVHUTSINLS-WJMWBRGCSA-N 2 0 327.516 3.113 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(C[N@H+](C)C(C)C)CC1 ZINC000572942877 459599294 /nfs/dbraw/zinc/59/92/94/459599294.db2.gz UFPJWTVXROOZEX-UHFFFAOYSA-N 2 0 346.519 3.380 10 0 EGAERP CC(C)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000543774423 459698244 /nfs/dbraw/zinc/69/82/44/459698244.db2.gz MWNPBUXNLFQCQY-LJQANCHMSA-N 2 0 339.474 3.279 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000527692248 459703451 /nfs/dbraw/zinc/70/34/51/459703451.db2.gz RFVBNRRIADENMA-ZEWNOJEFSA-N 2 0 328.500 3.168 10 0 EGAERP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[N@@H+]1C1CC1 ZINC000563120614 459718413 /nfs/dbraw/zinc/71/84/13/459718413.db2.gz AJENZUFOUJCFGL-HOJAQTOUSA-N 2 0 339.527 3.398 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527924200 459774060 /nfs/dbraw/zinc/77/40/60/459774060.db2.gz HOEJFJJFOCNOKG-QUCCMNQESA-N 2 0 330.516 3.488 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000544846676 459787663 /nfs/dbraw/zinc/78/76/63/459787663.db2.gz FMIOFOYCELMMPP-QGZVFWFLSA-N 2 0 327.472 3.480 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000584752516 459794585 /nfs/dbraw/zinc/79/45/85/459794585.db2.gz ZPVBGMGNYFDHNN-GOSISDBHSA-N 2 0 331.548 3.142 10 0 EGAERP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000593614367 459933891 /nfs/dbraw/zinc/93/38/91/459933891.db2.gz ROBQYDPLRLJLGS-MRXNPFEDSA-N 2 0 326.525 3.456 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575195075 459946549 /nfs/dbraw/zinc/94/65/49/459946549.db2.gz ASSVTGVHCQBHRF-KJWYOANISA-N 2 0 339.886 3.474 10 0 EGAERP C[NH+](C)CCC1CC[NH+](Cc2ccnn2CCc2ccccc2)CC1 ZINC000621713614 460019698 /nfs/dbraw/zinc/01/96/98/460019698.db2.gz PEVPYQMKLQTMNX-UHFFFAOYSA-N 2 0 340.515 3.290 10 0 EGAERP CCn1nccc1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000576055227 460060196 /nfs/dbraw/zinc/06/01/96/460060196.db2.gz KWWZVIVTSZNGBH-SFHVURJKSA-N 2 0 332.536 3.422 10 0 EGAERP COc1cccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)c1 ZINC000623338128 460495520 /nfs/dbraw/zinc/49/55/20/460495520.db2.gz MIKXSOZIMFAMDP-QUCCMNQESA-N 2 0 345.531 3.295 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)CC1(C)C ZINC000623356538 460507011 /nfs/dbraw/zinc/50/70/11/460507011.db2.gz WEKNNTKZJZXWHO-FQEVSTJZSA-N 3 0 329.532 3.156 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623383175 460519293 /nfs/dbraw/zinc/51/92/93/460519293.db2.gz HPGOFXDXFPWMSW-PMACEKPBSA-N 3 0 329.532 3.361 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386360 460522011 /nfs/dbraw/zinc/52/20/11/460522011.db2.gz SRRUGVPICFFCOX-IAGOWNOFSA-N 2 0 335.561 3.423 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000629513407 460788913 /nfs/dbraw/zinc/78/89/13/460788913.db2.gz IKAAUDJCHFFVEE-AUYOJAJCSA-N 2 0 341.293 3.196 10 0 EGAERP [NH3+]C1(C[NH2+][C@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000629518919 460792103 /nfs/dbraw/zinc/79/21/03/460792103.db2.gz COEFXIAOZPMPPD-HOCLYGCPSA-N 2 0 342.405 3.439 10 0 EGAERP C[C@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521237 460793644 /nfs/dbraw/zinc/79/36/44/460793644.db2.gz OHFHEYPIUVABCH-OAHLLOKOSA-N 2 0 329.488 3.322 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629527169 460795486 /nfs/dbraw/zinc/79/54/86/460795486.db2.gz MICYMYCLORHBOM-XDWAVFMPSA-N 2 0 327.516 3.017 10 0 EGAERP COc1cccc(C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc2)c1 ZINC000629525564 460796351 /nfs/dbraw/zinc/79/63/51/460796351.db2.gz WINMEXGTCYIHEM-HXUWFJFHSA-N 2 0 340.467 3.077 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000629529985 460797300 /nfs/dbraw/zinc/79/73/00/460797300.db2.gz SADXPCBEEAOWSR-CYBMUJFWSA-N 2 0 333.259 3.033 10 0 EGAERP Brc1cnccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532071 460797615 /nfs/dbraw/zinc/79/76/15/460797615.db2.gz KMVLPZMHUXIGNF-KBPBESRZSA-N 2 0 338.293 3.056 10 0 EGAERP Cc1nc(-c2cc([C@H](C)[NH2+]CCOCCC[NH3+])cs2)cs1 ZINC000629542382 460801179 /nfs/dbraw/zinc/80/11/79/460801179.db2.gz YQOSKSODBQDMDD-NSHDSACASA-N 2 0 325.503 3.196 10 0 EGAERP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629538679 460801425 /nfs/dbraw/zinc/80/14/25/460801425.db2.gz MTVJIGQEFWSFCJ-NWDGAFQWSA-N 2 0 335.275 3.104 10 0 EGAERP C[C@]12C[NH2+]C[C@@]1(C)C[N@H+](CCCOc1cccc(C(F)(F)F)c1)C2 ZINC000629585637 460815450 /nfs/dbraw/zinc/81/54/50/460815450.db2.gz ZRAPLFHULXIMAZ-CALCHBBNSA-N 2 0 342.405 3.406 10 0 EGAERP Cc1csc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000624000478 460815924 /nfs/dbraw/zinc/81/59/24/460815924.db2.gz CVGIGYKMFASMGO-MRXNPFEDSA-N 2 0 345.512 3.129 10 0 EGAERP Cc1csc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)n1 ZINC000624000477 460816094 /nfs/dbraw/zinc/81/60/94/460816094.db2.gz CVGIGYKMFASMGO-INIZCTEOSA-N 2 0 345.512 3.129 10 0 EGAERP C[C@@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123185 460873184 /nfs/dbraw/zinc/87/31/84/460873184.db2.gz HJHXRFBMWYSSGH-SJORKVTESA-N 2 0 326.488 3.470 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@@H]2CC[NH+](C)C2)cc1 ZINC000617556031 460905012 /nfs/dbraw/zinc/90/50/12/460905012.db2.gz IHQDBKRUNVZTCY-LJQANCHMSA-N 2 0 331.504 3.085 10 0 EGAERP C[C@@]1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCS1 ZINC000628235957 461057456 /nfs/dbraw/zinc/05/74/56/461057456.db2.gz KLWBCEUGIMSFCR-SFHVURJKSA-N 2 0 326.550 3.097 10 0 EGAERP Cc1ccc2ccnc(NC[C@@H]3CN(Cc4ccncc4)CCO3)c2c1 ZINC000624705532 461096317 /nfs/dbraw/zinc/09/63/17/461096317.db2.gz KHILTNYSPOALHU-LJQANCHMSA-N 2 0 348.450 3.251 10 0 EGAERP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000668109567 461108722 /nfs/dbraw/zinc/10/87/22/461108722.db2.gz GTTWTLUEQULSDB-AQNXPRMDSA-N 2 0 328.500 3.444 10 0 EGAERP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1cccc2c1CC[NH2+]C2 ZINC000662248868 461141802 /nfs/dbraw/zinc/14/18/02/461141802.db2.gz LJRUBDPNXLCQRC-MRXNPFEDSA-N 2 0 347.466 3.106 10 0 EGAERP c1ccc2c(c1)COC21CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662258400 461147380 /nfs/dbraw/zinc/14/73/80/461147380.db2.gz XBVYRSZYPPHZMW-UHFFFAOYSA-N 2 0 334.463 3.354 10 0 EGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652361802 461154091 /nfs/dbraw/zinc/15/40/91/461154091.db2.gz PMWWWNYTYWRGHV-SFHLNBCPSA-N 2 0 346.515 3.433 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccccc2Cl)C1 ZINC000652360356 461154697 /nfs/dbraw/zinc/15/46/97/461154697.db2.gz FYUFYSUOEDEEPH-QGPMSJSTSA-N 2 0 338.879 3.080 10 0 EGAERP Cc1cc(C)cc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360915 461155194 /nfs/dbraw/zinc/15/51/94/461155194.db2.gz TVSISTHKXMOUDX-SXLOBPIMSA-N 2 0 332.488 3.043 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)cc3cccnc32)C1 ZINC000652363039 461156690 /nfs/dbraw/zinc/15/66/90/461156690.db2.gz VZYLBQCLAWGHLC-QRVBRYPASA-N 2 0 343.446 3.235 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)c(Cl)cc1Cl ZINC000662280825 461163484 /nfs/dbraw/zinc/16/34/84/461163484.db2.gz GBQMUBRVDPRWTE-ZJUUUORDSA-N 2 0 333.234 3.304 10 0 EGAERP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCSc3ccc(F)cc3)CC2)C1 ZINC000662282428 461165348 /nfs/dbraw/zinc/16/53/48/461165348.db2.gz UUCZGFUYQWAQKI-FUHWJXTLSA-N 2 0 338.492 3.136 10 0 EGAERP CCn1c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc2cc(F)ccc21 ZINC000662293777 461171846 /nfs/dbraw/zinc/17/18/46/461171846.db2.gz NSIKHLFMIKZKLE-INIZCTEOSA-N 2 0 344.478 3.407 10 0 EGAERP c1cc(C[N@@H+]2CC3(CCOCC3)[C@@H]3CCC[C@@H]32)n(-c2cc[nH+]cc2)n1 ZINC000668217825 461185664 /nfs/dbraw/zinc/18/56/64/461185664.db2.gz SXUDQVAVGSSMDM-MOPGFXCFSA-N 2 0 338.455 3.048 10 0 EGAERP CC(C)O[C@@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662324802 461192858 /nfs/dbraw/zinc/19/28/58/461192858.db2.gz YBFIFTFZMTWHDX-UXHICEINSA-N 2 0 334.504 3.195 10 0 EGAERP Cc1ccc(CN(Cc2ccnn2-c2cc[nH+]cc2)CC2CC2)cn1 ZINC000668274308 461219261 /nfs/dbraw/zinc/21/92/61/461219261.db2.gz ZZSXBODUDQMXEZ-UHFFFAOYSA-N 2 0 333.439 3.383 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662402028 461232468 /nfs/dbraw/zinc/23/24/68/461232468.db2.gz FGNUIARWZXWRNA-GPMSIDNRSA-N 2 0 343.515 3.094 10 0 EGAERP c1ccc(N2CC[C@H](C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106036 461243308 /nfs/dbraw/zinc/24/33/08/461243308.db2.gz YKTZDBXMUZJZFI-CTNGQTDRSA-N 2 0 327.516 3.463 10 0 EGAERP C[NH+](C)C1(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)CCCCC1 ZINC000662442746 461244235 /nfs/dbraw/zinc/24/42/35/461244235.db2.gz SSGPBTIQLOCKDQ-SFHVURJKSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)OC[C@H]([NH3+])C(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000659277950 461268033 /nfs/dbraw/zinc/26/80/33/461268033.db2.gz ICODUBAJCXEUMC-SFHVURJKSA-N 2 0 347.503 3.142 10 0 EGAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288735 461275845 /nfs/dbraw/zinc/27/58/45/461275845.db2.gz QAHLCGCEIIMWHX-PZJWPPBQSA-N 2 0 349.478 3.002 10 0 EGAERP C[NH+](C)CC[C@@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C(C)(C)C ZINC000659292438 461278800 /nfs/dbraw/zinc/27/88/00/461278800.db2.gz PKDCYIYOUXTVGB-PKOBYXMFSA-N 2 0 345.531 3.161 10 0 EGAERP c1ccc([C@H]2C[C@@H]2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000668439735 461282290 /nfs/dbraw/zinc/28/22/90/461282290.db2.gz DBANAGSLSDDTDF-TZIWHRDSSA-N 2 0 328.500 3.271 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CCC(c2ccc(O)cc2)CC1 ZINC000668475438 461297121 /nfs/dbraw/zinc/29/71/21/461297121.db2.gz QRWISXIWLAIRDX-ZJRDLVKKSA-N 2 0 347.547 3.280 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)Cc1ccccc1 ZINC000668489129 461302791 /nfs/dbraw/zinc/30/27/91/461302791.db2.gz CQHRHFYCQIHPJA-AVRDEDQJSA-N 2 0 338.495 3.222 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713324 461391840 /nfs/dbraw/zinc/39/18/40/461391840.db2.gz MQESQTKLGUAKAU-PCCBWWKXSA-N 2 0 340.511 3.446 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+]CC[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713299 461392967 /nfs/dbraw/zinc/39/29/67/461392967.db2.gz LWBMBVOCCNURJN-UXHICEINSA-N 2 0 328.500 3.305 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000655827631 461482203 /nfs/dbraw/zinc/48/22/03/461482203.db2.gz VOITYFCWCLSUNX-IZAXUBKRSA-N 2 0 325.456 3.090 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631043421 461495926 /nfs/dbraw/zinc/49/59/26/461495926.db2.gz VQRCRGNZCHTXMS-CALCHBBNSA-N 2 0 332.536 3.147 10 0 EGAERP CC[NH+]1CCC(C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631065498 461517096 /nfs/dbraw/zinc/51/70/96/461517096.db2.gz ZXZBKJUBFAGLNS-UHFFFAOYSA-N 2 0 346.700 3.319 10 0 EGAERP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655940057 461547033 /nfs/dbraw/zinc/54/70/33/461547033.db2.gz OJPPRXYKWHZEMZ-OALUTQOASA-N 2 0 338.442 3.116 10 0 EGAERP Cc1scc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)c1C ZINC000631109277 461558225 /nfs/dbraw/zinc/55/82/25/461558225.db2.gz BUSXOEVQPDWFDX-LJQANCHMSA-N 2 0 330.497 3.221 10 0 EGAERP CSc1cccc(C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000660149150 461609904 /nfs/dbraw/zinc/60/99/04/461609904.db2.gz BGYVGBLAMRAALO-UHFFFAOYSA-N 2 0 347.572 3.399 10 0 EGAERP CC(C)C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000647295647 461620166 /nfs/dbraw/zinc/62/01/66/461620166.db2.gz QSEDLIPQRMJSJY-IBGZPJMESA-N 2 0 342.487 3.294 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc(C)n1 ZINC000643293849 461671482 /nfs/dbraw/zinc/67/14/82/461671482.db2.gz FNDLXWIOUNHXCS-UHFFFAOYSA-N 2 0 339.483 3.463 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CC(C)(C)CC(C)(C)C2)CC1 ZINC000663505866 461677321 /nfs/dbraw/zinc/67/73/21/461677321.db2.gz OQIXQLMBLYOAGY-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP COc1ccc(C(C)C)cc1CN1CCC([N@H+](C)CCCO)CC1 ZINC000653556880 461720695 /nfs/dbraw/zinc/72/06/95/461720695.db2.gz NSNOQSUKOHCYCO-UHFFFAOYSA-N 2 0 334.504 3.097 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCCO2)cc1 ZINC000656402403 461732995 /nfs/dbraw/zinc/73/29/95/461732995.db2.gz FYDOOAHZTSFSQQ-MNVIUDHYSA-N 2 0 340.511 3.398 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522513 461753172 /nfs/dbraw/zinc/75/31/72/461753172.db2.gz OJMDYUHVOUWPRG-UKRRQHHQSA-N 2 0 339.277 3.395 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643548983 461761114 /nfs/dbraw/zinc/76/11/14/461761114.db2.gz YSINNNXLADUNLA-GHTZIAJQSA-N 2 0 341.543 3.346 10 0 EGAERP COc1cc2cc[nH+]c(N3CCC[C@@H]4C[N@H+](C)CC[C@@H]43)c2cc1OC ZINC000663729530 461776567 /nfs/dbraw/zinc/77/65/67/461776567.db2.gz QLGQCZIEVMXISJ-WBVHZDCISA-N 2 0 341.455 3.173 10 0 EGAERP c1cnn(C2CC([NH2+]C[C@H]3CCCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000639196396 461796890 /nfs/dbraw/zinc/79/68/90/461796890.db2.gz ZPLCYTFYLCPKEF-QNGMFEMESA-N 2 0 338.499 3.479 10 0 EGAERP c1cc(C[NH+]2CCC3(CCSCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000639374792 461894607 /nfs/dbraw/zinc/89/46/07/461894607.db2.gz KOFBLJRJZANUPG-UHFFFAOYSA-N 2 0 328.485 3.377 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC[C@H](O)C2)CC1 ZINC000647962122 461910001 /nfs/dbraw/zinc/91/00/01/461910001.db2.gz NLSDCYLKJWAFBN-SFTDATJTSA-N 2 0 330.516 3.382 10 0 EGAERP Cc1ccc(-c2nn(C)cc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000648001952 461931575 /nfs/dbraw/zinc/93/15/75/461931575.db2.gz STYBGQLJPQQQSK-UHFFFAOYSA-N 2 0 342.487 3.296 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650757975 461938518 /nfs/dbraw/zinc/93/85/18/461938518.db2.gz FWLMNWFNOUBHKH-AWEZNQCLSA-N 2 0 337.467 3.487 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](Oc2ccccc2)C1 ZINC000648050623 461958450 /nfs/dbraw/zinc/95/84/50/461958450.db2.gz NTPBYVNKRHTCFA-FQEVSTJZSA-N 2 0 334.423 3.229 10 0 EGAERP FC1(F)Oc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2O1 ZINC000648052104 461959773 /nfs/dbraw/zinc/95/97/73/461959773.db2.gz MDJLDSARVHOARB-UHFFFAOYSA-N 2 0 347.365 3.162 10 0 EGAERP COc1cc(C[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc2ccccc21 ZINC000648072097 461969530 /nfs/dbraw/zinc/96/95/30/461969530.db2.gz LBULPKDLPCGEDY-UHFFFAOYSA-N 2 0 340.467 3.145 10 0 EGAERP Oc1cccc2c(NCc3ccc(C[N@H+]4CC[C@H](O)C4)cc3)cc[nH+]c12 ZINC000664236725 461992996 /nfs/dbraw/zinc/99/29/96/461992996.db2.gz MQYPQHQFRURYBB-KRWDZBQOSA-N 2 0 349.434 3.119 10 0 EGAERP CCCCO[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657387159 462089648 /nfs/dbraw/zinc/08/96/48/462089648.db2.gz RWVQRHMGPIDKRU-ROUUACIJSA-N 2 0 328.460 3.341 10 0 EGAERP COC[C@H](C)Oc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000657414655 462107491 /nfs/dbraw/zinc/10/74/91/462107491.db2.gz SICOAKXLUVKXLA-IVMQYODDSA-N 2 0 334.504 3.310 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000657414433 462107652 /nfs/dbraw/zinc/10/76/52/462107652.db2.gz ONNDFFXOLURULK-AFMYVXGZSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@H]1C[C@H](CC[NH2+]Cc2cc3n(n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414550 462107909 /nfs/dbraw/zinc/10/79/09/462107909.db2.gz BDQKTOWEFZIUPS-HKUYNNGSSA-N 2 0 338.499 3.220 10 0 EGAERP Cn1ncc(C2CCC2)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000657425990 462115400 /nfs/dbraw/zinc/11/54/00/462115400.db2.gz UCYPAWWXVVYPGP-UHFFFAOYSA-N 2 0 339.487 3.089 10 0 EGAERP COc1ccc([C@@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667569658 462149811 /nfs/dbraw/zinc/14/98/11/462149811.db2.gz PGVMHRIPBGUKME-QGZVFWFLSA-N 2 0 334.423 3.265 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3F)cc2)C1 ZINC000657595484 462196059 /nfs/dbraw/zinc/19/60/59/462196059.db2.gz QBVPZAWLTOQBMM-QGZVFWFLSA-N 2 0 348.849 3.336 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)C1 ZINC000657596626 462197921 /nfs/dbraw/zinc/19/79/21/462197921.db2.gz XZVRMXRUFGFICT-FQEVSTJZSA-N 2 0 335.451 3.024 10 0 EGAERP Cc1ccc2cc(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)[nH]c2c1 ZINC000657597441 462198611 /nfs/dbraw/zinc/19/86/11/462198611.db2.gz OKXYXKULDDKGJK-OAQYLSRUSA-N 2 0 349.478 3.333 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CCO[C@H]1CC1(F)F ZINC000657619172 462206734 /nfs/dbraw/zinc/20/67/34/462206734.db2.gz STOXOUQDCXJMPR-INIZCTEOSA-N 2 0 326.431 3.158 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000657838553 462291541 /nfs/dbraw/zinc/29/15/41/462291541.db2.gz CNSHAXCWHSYXFE-GGPKGHCWSA-N 2 0 340.552 3.166 10 0 EGAERP CN1CC[NH+](CCCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676841 462299675 /nfs/dbraw/zinc/29/96/75/462299675.db2.gz PKIQLDZGPMARJE-MRXNPFEDSA-N 2 0 339.886 3.084 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C(C)(C)C(F)F ZINC000657872871 462303937 /nfs/dbraw/zinc/30/39/37/462303937.db2.gz JBLZRLISBPJCJQ-CQSZACIVSA-N 2 0 340.458 3.413 10 0 EGAERP COCCc1ccc(OC[C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000667912793 462318308 /nfs/dbraw/zinc/31/83/08/462318308.db2.gz NOGJGZCHSZTPEY-KKXNLOMOSA-N 2 0 348.531 3.353 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068103 462366654 /nfs/dbraw/zinc/36/66/54/462366654.db2.gz UGUQAWWKWZREGO-IERDGZPVSA-N 2 0 328.500 3.401 10 0 EGAERP CO[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000658071348 462367317 /nfs/dbraw/zinc/36/73/17/462367317.db2.gz HLGXLSLMDHNSQU-GKYDQMIMSA-N 2 0 346.515 3.071 10 0 EGAERP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273209 462378576 /nfs/dbraw/zinc/37/85/76/462378576.db2.gz RQLRFOLUQUJEQE-ZJOUEHCJSA-N 2 0 335.451 3.102 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000665276023 462379786 /nfs/dbraw/zinc/37/97/86/462379786.db2.gz XBCOIIVKOUJXDD-GFCCVEGCSA-N 2 0 326.469 3.352 10 0 EGAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277270 462381100 /nfs/dbraw/zinc/38/11/00/462381100.db2.gz XWUWDBWZBWHBRH-SESVDKBCSA-N 2 0 341.543 3.409 10 0 EGAERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1cccc(C)c1 ZINC000665289018 462387632 /nfs/dbraw/zinc/38/76/32/462387632.db2.gz DAMHNYZHEXGZDI-LJQANCHMSA-N 2 0 331.504 3.026 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1nccc2ccccc21 ZINC000658109308 462390495 /nfs/dbraw/zinc/39/04/95/462390495.db2.gz VOQGYIGFYTZNFA-IRXDYDNUSA-N 2 0 328.504 3.157 10 0 EGAERP CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658136617 462400670 /nfs/dbraw/zinc/40/06/70/462400670.db2.gz DOHZJGBFIGYCHO-RTBURBONSA-N 2 0 344.524 3.426 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cn1 ZINC000658139218 462401773 /nfs/dbraw/zinc/40/17/73/462401773.db2.gz PMFGVYJJEVOSTE-RBUKOAKNSA-N 2 0 343.446 3.028 10 0 EGAERP C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139932 462403371 /nfs/dbraw/zinc/40/33/71/462403371.db2.gz OPIIORWRJHSXOM-DNVCBOLYSA-N 2 0 330.497 3.036 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)C1 ZINC000658141954 462405650 /nfs/dbraw/zinc/40/56/50/462405650.db2.gz YEMQRNNFXBVGSB-MJGOQNOKSA-N 2 0 326.440 3.013 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658141773 462405716 /nfs/dbraw/zinc/40/57/16/462405716.db2.gz UOENIQXOBPJIJI-MAUKXSAKSA-N 2 0 330.497 3.474 10 0 EGAERP OCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000652037254 462412320 /nfs/dbraw/zinc/41/23/20/462412320.db2.gz KKZALUVHEUCRBT-QHAWAJNXSA-N 2 0 342.527 3.429 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000658257043 462445773 /nfs/dbraw/zinc/44/57/73/462445773.db2.gz YOAYQCRQCFGAQE-PXNSSMCTSA-N 2 0 330.516 3.080 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000130434122 528467052 /nfs/dbraw/zinc/46/70/52/528467052.db2.gz AMXXBVPPZNESBN-PCCBWWKXSA-N 2 0 329.532 3.184 10 0 EGAERP C[C@H]([NH2+]Cc1cc(F)cc(Br)c1)C1CC[NH+](C)CC1 ZINC000129179352 546785638 /nfs/dbraw/zinc/78/56/38/546785638.db2.gz UXLCWLPXMNEKQJ-NSHDSACASA-N 2 0 329.257 3.408 10 0 EGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](Cc1ccccc1)C1CCCCC1 ZINC000155015424 546898491 /nfs/dbraw/zinc/89/84/91/546898491.db2.gz WPKCVEAYRZFCAK-UGKGYDQZSA-N 2 0 343.559 3.404 10 0 EGAERP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C1 ZINC000339069555 547568489 /nfs/dbraw/zinc/56/84/89/547568489.db2.gz XGMFALINTRIVHL-ULQDDVLXSA-N 2 0 349.469 3.146 10 0 EGAERP CC(C)n1cncc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000385757138 547823497 /nfs/dbraw/zinc/82/34/97/547823497.db2.gz SVOGBXQPMHUOTB-CEWLAPEOSA-N 2 0 338.499 3.464 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542563 547823708 /nfs/dbraw/zinc/82/37/08/547823708.db2.gz RMXMIUOQRVMBNL-VLCRHTCISA-N 2 0 339.527 3.113 10 0 EGAERP COc1c(O)cccc1C[NH+]1CCC(C[NH+]2CCCCCC2)CC1 ZINC000679329050 549688813 /nfs/dbraw/zinc/68/88/13/549688813.db2.gz PKLUUDYGQDPGBT-UHFFFAOYSA-N 2 0 332.488 3.489 10 0 EGAERP C[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1F ZINC000679357786 549695173 /nfs/dbraw/zinc/69/51/73/549695173.db2.gz BCWRAGUAVCAGGF-LPHOPBHVSA-N 2 0 333.495 3.397 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)[C@@H](C)O1 ZINC000682169097 550081591 /nfs/dbraw/zinc/08/15/91/550081591.db2.gz NUFPSBMSZIFPHW-KZNAEPCWSA-N 2 0 332.488 3.159 10 0 EGAERP Cc1cc([C@@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000678682599 576168968 /nfs/dbraw/zinc/16/89/68/576168968.db2.gz BPHNFGGFNPFNEB-IBGZPJMESA-N 2 0 333.495 3.201 10 0 EGAERP c1cncc(C[N@@H+]2CC[C@@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000169749228 1294370412 /nfs/dbraw/zinc/37/04/12/1294370412.db2.gz BOTNQWURTUWDOI-OAQYLSRUSA-N 2 0 336.483 3.211 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+])c1cc2ccccc2o1 ZINC000872155687 1296771487 /nfs/dbraw/zinc/77/14/87/1296771487.db2.gz YLQSZLGTVCWDEY-HZPDHXFCSA-N 2 0 345.487 3.449 10 0 EGAERP COc1ccc(Cl)cc1NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155093 1296773438 /nfs/dbraw/zinc/77/34/38/1296773438.db2.gz LDYNHNXCGQLWHJ-CYBMUJFWSA-N 2 0 341.883 3.127 10 0 EGAERP C[C@@H](C(=O)Nc1cc(Cl)ccc1F)[N@H+](C)CCCCCC[NH3+] ZINC000872155069 1296774413 /nfs/dbraw/zinc/77/44/13/1296774413.db2.gz KUVGTGRUCAVDNB-LBPRGKRZSA-N 2 0 329.847 3.257 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378910369 1297527618 /nfs/dbraw/zinc/52/76/18/1297527618.db2.gz IJBSHIDBXAOUON-KRWDZBQOSA-N 2 0 339.524 3.240 10 0 EGAERP C[C@@](O)(C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000385512496 1297585254 /nfs/dbraw/zinc/58/52/54/1297585254.db2.gz BBIPHWHRVMVFNP-IFMALSPDSA-N 2 0 338.495 3.396 10 0 EGAERP OC1(C[NH2+]CCC2=CCCCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000397616109 1297700491 /nfs/dbraw/zinc/70/04/91/1297700491.db2.gz UDEVNKQLTAFVOH-UHFFFAOYSA-N 2 0 328.500 3.494 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000405940758 1297766651 /nfs/dbraw/zinc/76/66/51/1297766651.db2.gz LOTKWDHAUJGIIX-UHFFFAOYSA-N 2 0 341.540 3.390 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000700565181 1298176632 /nfs/dbraw/zinc/17/66/32/1298176632.db2.gz YTMSEGYMWCRHQC-MRXNPFEDSA-N 2 0 327.513 3.145 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550656 1298280613 /nfs/dbraw/zinc/28/06/13/1298280613.db2.gz CIUUUOITUJHYHX-NCOADZHNSA-N 2 0 339.524 3.237 10 0 EGAERP COCc1c(C)cc(C)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1C ZINC000894016504 1306175599 /nfs/dbraw/zinc/17/55/99/1306175599.db2.gz DZMIFPSWQWDOQB-UHFFFAOYSA-N 2 0 348.531 3.301 10 0 EGAERP C[NH+](C)CC1CC[NH+](CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC000929282199 1328555852 /nfs/dbraw/zinc/55/58/52/1328555852.db2.gz IYPXADKLUCPRDN-UHFFFAOYSA-N 2 0 339.524 3.050 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858111866 1328685961 /nfs/dbraw/zinc/68/59/61/1328685961.db2.gz WHJXEFDMPUPULJ-JKSUJKDBSA-N 2 0 339.524 3.238 10 0 EGAERP CC(=O)NCCCCC[NH+]1CCC(CC[N@H+]2CCCC[C@@H]2C)CC1 ZINC000929841599 1328716918 /nfs/dbraw/zinc/71/69/18/1328716918.db2.gz OQIXLKXSJQPCHP-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP c1nc(-c2ccccc2)oc1C[N@@H+]1CCCN(c2cc[nH+]cc2)CC1 ZINC000930806041 1328976698 /nfs/dbraw/zinc/97/66/98/1328976698.db2.gz MBXLSYIXLRYTDK-UHFFFAOYSA-N 2 0 334.423 3.449 10 0 EGAERP CSCc1ccc(C[NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)cc1 ZINC000921753507 1322392627 /nfs/dbraw/zinc/39/26/27/1322392627.db2.gz DEINKIDGWMYXRH-SFHVURJKSA-N 2 0 334.529 3.140 10 0 EGAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000922505071 1322544263 /nfs/dbraw/zinc/54/42/63/1322544263.db2.gz QCWHBRHVKSRKLN-UHFFFAOYSA-N 3 0 339.487 3.154 10 0 EGAERP CCCC[N@H+](C[C@H]1CCc2ncnn21)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032891 1329033838 /nfs/dbraw/zinc/03/38/38/1329033838.db2.gz BAZAGMKYOCHVCF-OAHLLOKOSA-N 2 0 333.524 3.177 10 0 EGAERP c1ccc(CN2CC[C@H]([NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)CC23CC3)cc1 ZINC000922716476 1322601297 /nfs/dbraw/zinc/60/12/97/1322601297.db2.gz ABHNIWUYMJBMCA-WOZUAGRISA-N 2 0 338.495 3.364 10 0 EGAERP COC(=O)c1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(F)c1 ZINC000922846578 1322631583 /nfs/dbraw/zinc/63/15/83/1322631583.db2.gz NKDRALTZSWCEFT-UHFFFAOYSA-N 2 0 334.435 3.109 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@]2(C)CCOc3ccccc32)cc1 ZINC000923027145 1322677669 /nfs/dbraw/zinc/67/76/69/1322677669.db2.gz ZSCPKWKWYVXPAV-OAQYLSRUSA-N 2 0 340.467 3.415 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923413874 1322746986 /nfs/dbraw/zinc/74/69/86/1322746986.db2.gz JJBIRGGZSHQQGJ-RDJZCZTQSA-N 2 0 328.859 3.209 10 0 EGAERP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)c2cc1Cl ZINC000923496588 1322761390 /nfs/dbraw/zinc/76/13/90/1322761390.db2.gz HYLQSEJCTMZWRY-GXTWGEPZSA-N 2 0 348.874 3.426 10 0 EGAERP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495689 1322761933 /nfs/dbraw/zinc/76/19/33/1322761933.db2.gz DZLXKBZRYHYQFR-IPYPFGDCSA-N 2 0 348.878 3.292 10 0 EGAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@H]1C[NH3+] ZINC000923510870 1322766392 /nfs/dbraw/zinc/76/63/92/1322766392.db2.gz XTFBPHCBPPRFOE-APWZRJJASA-N 2 0 337.467 3.209 10 0 EGAERP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccns1 ZINC000924644040 1323090662 /nfs/dbraw/zinc/09/06/62/1323090662.db2.gz RARAHTUUYHJPBM-FUHWJXTLSA-N 2 0 344.528 3.173 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)c1 ZINC000924672578 1323105980 /nfs/dbraw/zinc/10/59/80/1323105980.db2.gz UELSSKCJQMRBJJ-SFTDATJTSA-N 2 0 346.515 3.346 10 0 EGAERP Cc1nccn1-c1ccc(C[NH2+][C@@H](C)c2cnn(C3CCC3)c2)cn1 ZINC000924722920 1323133720 /nfs/dbraw/zinc/13/37/20/1323133720.db2.gz JADQYNFXQGWYOZ-AWEZNQCLSA-N 2 0 336.443 3.348 10 0 EGAERP C[C@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000924855729 1323189782 /nfs/dbraw/zinc/18/97/82/1323189782.db2.gz XXHRQXZKDISADK-FNOBOGDDSA-N 2 0 328.500 3.446 10 0 EGAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924968617 1323232559 /nfs/dbraw/zinc/23/25/59/1323232559.db2.gz BTKDGZPVGBJACY-FPOVZHCZSA-N 2 0 348.531 3.063 10 0 EGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]C3CC(Sc4ccccc4)C3)C2)CC1 ZINC000925040694 1323254562 /nfs/dbraw/zinc/25/45/62/1323254562.db2.gz KREUWZCAXIWYDM-ZRZPHAQCSA-N 2 0 345.556 3.068 10 0 EGAERP C[C@H]1O[C@@H](C)[C@@H]([NH2+]CCCCCC[NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)[C@H]1C ZINC000859828525 1329089082 /nfs/dbraw/zinc/08/90/82/1329089082.db2.gz ANSHAQDXNZGSTR-GHSAMEMESA-N 2 0 340.552 3.350 10 0 EGAERP CC(C)C[N@H+](C[C@H]1CC[C@@H](C(F)(F)F)O1)CC1CC[NH+](C)CC1 ZINC000931565543 1329146286 /nfs/dbraw/zinc/14/62/86/1329146286.db2.gz QPHHAUJCBYWAMU-CVEARBPZSA-N 2 0 336.442 3.396 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+]C2C[C@H]3CC[C@@H](C2)S3)CC1 ZINC000925220749 1325085959 /nfs/dbraw/zinc/08/59/59/1325085959.db2.gz JFBDKIZZBXHONZ-CTXDPNEZSA-N 2 0 346.540 3.160 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C[C@@H]([NH3+])C1 ZINC000925478067 1325167509 /nfs/dbraw/zinc/16/75/09/1325167509.db2.gz HBTKDDZBDWLXBL-MJGOQNOKSA-N 2 0 333.495 3.286 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481985 1325169678 /nfs/dbraw/zinc/16/96/78/1325169678.db2.gz PKIICUNHKATGMF-IMJJTQAJSA-N 2 0 331.460 3.200 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccc(F)c1 ZINC000925495764 1325177442 /nfs/dbraw/zinc/17/74/42/1325177442.db2.gz WOCPJRGOAABFIX-XUVXKRRUSA-N 2 0 333.495 3.186 10 0 EGAERP C[C@H](C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512940 1325185728 /nfs/dbraw/zinc/18/57/28/1325185728.db2.gz CXXWNHIEFJJFPX-UGFHNGPFSA-N 2 0 339.277 3.076 10 0 EGAERP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925516570 1325186683 /nfs/dbraw/zinc/18/66/83/1325186683.db2.gz DQSTYWNSBANNFF-ROUUACIJSA-N 2 0 326.488 3.103 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C[C@@H]([NH3+])C1 ZINC000925527412 1325191592 /nfs/dbraw/zinc/19/15/92/1325191592.db2.gz QPAFOHHTGVNGMZ-AEFFLSMTSA-N 2 0 329.488 3.421 10 0 EGAERP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925536085 1325196525 /nfs/dbraw/zinc/19/65/25/1325196525.db2.gz MWUZLJGHLNVWRU-RTWAWAEBSA-N 2 0 338.499 3.173 10 0 EGAERP COc1ccccc1N1CC[C@H](C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925539702 1325199136 /nfs/dbraw/zinc/19/91/36/1325199136.db2.gz CTQFJIUTJMGSAS-BRWVUGGUSA-N 2 0 331.504 3.017 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)c1 ZINC000925545653 1325201140 /nfs/dbraw/zinc/20/11/40/1325201140.db2.gz BLNUPTVZRSMZQL-HSALFYBXSA-N 2 0 346.515 3.106 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925567188 1325215162 /nfs/dbraw/zinc/21/51/62/1325215162.db2.gz BGLUHJSLZMUFEC-JLSDUUJJSA-N 2 0 342.512 3.114 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C12CCC2 ZINC000925586918 1325222164 /nfs/dbraw/zinc/22/21/64/1325222164.db2.gz VVSGIIZUOMOMKX-IRXDYDNUSA-N 2 0 342.512 3.125 10 0 EGAERP CC(C)n1ncc2c1C[C@@H]([NH2+][C@H](CCC[NH3+])c1ccccc1)CC2 ZINC000925658141 1325251362 /nfs/dbraw/zinc/25/13/62/1325251362.db2.gz NIOXZPJMRDHDDO-RBUKOAKNSA-N 2 0 326.488 3.391 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658281 1325251842 /nfs/dbraw/zinc/25/18/42/1325251842.db2.gz WHUULOFQISPSRJ-HUUCEWRRSA-N 2 0 328.378 3.030 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(Br)cn1 ZINC000925662304 1325252837 /nfs/dbraw/zinc/25/28/37/1325252837.db2.gz GNIOHLDBLOICAY-WCFLWFBJSA-N 2 0 326.282 3.401 10 0 EGAERP CC1(C)C[C@@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925666506 1325254825 /nfs/dbraw/zinc/25/48/25/1325254825.db2.gz QCVZRBOMIOCCAD-CEXWTWQISA-N 2 0 339.483 3.085 10 0 EGAERP FC(F)(F)c1ccnc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925678733 1325259112 /nfs/dbraw/zinc/25/91/12/1325259112.db2.gz WZMVJVQGDCFMOX-IRXDYDNUSA-N 2 0 341.421 3.401 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12 ZINC000925726431 1325270718 /nfs/dbraw/zinc/27/07/18/1325270718.db2.gz SRUKDFRNDXGVSZ-SKORESGDSA-N 2 0 347.300 3.193 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cc(C(F)(F)F)cc(Cl)n1 ZINC000925732276 1325275073 /nfs/dbraw/zinc/27/50/73/1325275073.db2.gz XLUAHQBJDVSXOB-FOCQTFQBSA-N 2 0 333.785 3.359 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1OC ZINC000925799388 1325306661 /nfs/dbraw/zinc/30/66/61/1325306661.db2.gz UNQRURDTGPEYKR-ZIFCJYIRSA-N 3 0 347.547 3.433 10 0 EGAERP CCOC(=O)[C@H]1CC[C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc21 ZINC000925802957 1325307535 /nfs/dbraw/zinc/30/75/35/1325307535.db2.gz KPLJSRAIQYCLQR-VVWQDTPRSA-N 2 0 330.472 3.003 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925810128 1325310778 /nfs/dbraw/zinc/31/07/78/1325310778.db2.gz WJJRBJDPCPDDAK-INIZCTEOSA-N 2 0 329.513 3.313 10 0 EGAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000925843965 1325324664 /nfs/dbraw/zinc/32/46/64/1325324664.db2.gz INPOPCCFIWAEHM-SFHVURJKSA-N 2 0 325.447 3.081 10 0 EGAERP Fc1ccc([C@H]2CCC[C@H]2[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925847013 1325328604 /nfs/dbraw/zinc/32/86/04/1325328604.db2.gz ZFJYNFITJHAEPY-WOJBJXKFSA-N 2 0 333.495 3.127 10 0 EGAERP O=C1O[C@H](C[NH2+][C@@H]2CCCC[C@@H]2C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925850542 1325329695 /nfs/dbraw/zinc/32/96/95/1325329695.db2.gz JBXYWKOSKMBXTI-IPMKNSEASA-N 2 0 348.531 3.400 10 0 EGAERP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851938 1325330505 /nfs/dbraw/zinc/33/05/05/1325330505.db2.gz UBPIFWMEEMRZJJ-VQIMIIECSA-N 2 0 344.499 3.221 10 0 EGAERP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855769 1325332021 /nfs/dbraw/zinc/33/20/21/1325332021.db2.gz QBNJIUAPOMSSQP-VQIMIIECSA-N 2 0 344.499 3.221 10 0 EGAERP O=C1O[C@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)CC12CC[NH2+]CC2 ZINC000925857439 1325333159 /nfs/dbraw/zinc/33/31/59/1325333159.db2.gz ZTODFXBYSXIKCS-DOTOQJQBSA-N 2 0 348.512 3.254 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875915 1325339783 /nfs/dbraw/zinc/33/97/83/1325339783.db2.gz OZFUPAQYMLCLPD-RTXFEEFZSA-N 2 0 329.257 3.236 10 0 EGAERP Cc1nc2c(s1)[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)CCC2 ZINC000925887686 1325344033 /nfs/dbraw/zinc/34/40/33/1325344033.db2.gz JVNLMNHWOXLULC-SUMDDJOVSA-N 2 0 327.497 3.478 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000925888946 1325345458 /nfs/dbraw/zinc/34/54/58/1325345458.db2.gz WWOMVWVHGMYNBV-WQFQCULDSA-N 2 0 349.478 3.281 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)n(C)n1 ZINC000926274952 1325500433 /nfs/dbraw/zinc/50/04/33/1325500433.db2.gz MEZPVGYLDDNUNW-MJGOQNOKSA-N 2 0 332.536 3.151 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)cc1 ZINC000926402091 1325541129 /nfs/dbraw/zinc/54/11/29/1325541129.db2.gz RZBPJIYWSKGWFE-WOJBJXKFSA-N 2 0 332.488 3.208 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCCC[C@H]2CCCO)[C@H](c2ccccc2)C1 ZINC000926634142 1327644712 /nfs/dbraw/zinc/64/47/12/1327644712.db2.gz DNPXXUKKIVKDQD-WOZUAGRISA-N 2 0 330.516 3.253 10 0 EGAERP CC[C@@H](NC[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1cccc(OC)n1 ZINC000926636609 1327646876 /nfs/dbraw/zinc/64/68/76/1327646876.db2.gz VZBUPCFXOZBFRH-CEXWTWQISA-N 2 0 339.483 3.476 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000926636127 1327647410 /nfs/dbraw/zinc/64/74/10/1327647410.db2.gz RVNSWCCNHGXUFG-MXEMCNAFSA-N 2 0 328.500 3.127 10 0 EGAERP COc1cc(C[C@@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ccn1 ZINC000926890560 1327759851 /nfs/dbraw/zinc/75/98/51/1327759851.db2.gz VFVXPKPPPLGRCK-PPDQVPDSSA-N 2 0 331.504 3.408 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]C[C@@H]2C=C[C@H]4C[C@@H]2CO4)C3)cc1 ZINC000926936635 1327785016 /nfs/dbraw/zinc/78/50/16/1327785016.db2.gz LEZYDSHATSJWFG-NALHQMNBSA-N 2 0 338.495 3.363 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926938175 1327785390 /nfs/dbraw/zinc/78/53/90/1327785390.db2.gz SVANKGRCSACTHF-PPQDBTBKSA-N 2 0 326.484 3.078 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000926949289 1327791067 /nfs/dbraw/zinc/79/10/67/1327791067.db2.gz MLDHUEVMDWGJSQ-IVMMDQJWSA-N 2 0 330.394 3.476 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000927036179 1327825327 /nfs/dbraw/zinc/82/53/27/1327825327.db2.gz FRBKTIIASYEZOX-PCVOSPCESA-N 2 0 343.471 3.075 10 0 EGAERP CCc1noc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)n1 ZINC000927052009 1327831233 /nfs/dbraw/zinc/83/12/33/1327831233.db2.gz IPFUTBGNYAVMNV-WBVHZDCISA-N 2 0 334.508 3.368 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccnc(F)c2C)CC1 ZINC000862249892 1329471411 /nfs/dbraw/zinc/47/14/11/1329471411.db2.gz GCCLGTURJUEHOW-UHFFFAOYSA-N 2 0 337.483 3.100 10 0 EGAERP Cc1ccnc(C[NH2+]C(C)(C)CCC[NH+](C)C)c1Br ZINC000865591005 1329717278 /nfs/dbraw/zinc/71/72/78/1329717278.db2.gz ZNDDLKNNKNOFKL-UHFFFAOYSA-N 2 0 328.298 3.363 10 0 EGAERP CC[C@H]1C[C@@H](C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865774390 1329736974 /nfs/dbraw/zinc/73/69/74/1329736974.db2.gz VECNHLABLBPXPZ-ICSRJNTNSA-N 2 0 330.516 3.445 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000866238290 1330083197 /nfs/dbraw/zinc/08/31/97/1330083197.db2.gz ONIXLAXJQYVTFS-WOJBJXKFSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516998 1330121134 /nfs/dbraw/zinc/12/11/34/1330121134.db2.gz UOQNPYZISCFOBD-KJJOEJEFSA-N 2 0 344.547 3.145 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+][C@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000866517866 1330121533 /nfs/dbraw/zinc/12/15/33/1330121533.db2.gz PRWISQDYTRLCAB-HFCFLWKCSA-N 2 0 330.451 3.491 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](NCc2noc3cc(F)ccc23)[C@@H](C)C1 ZINC000866611781 1330132873 /nfs/dbraw/zinc/13/28/73/1330132873.db2.gz WUIDMKGTAVZXLD-YOEHRIQHSA-N 2 0 349.450 3.194 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000868164340 1330257469 /nfs/dbraw/zinc/25/74/69/1330257469.db2.gz WIUCWDRXDLQZTD-UHFFFAOYSA-N 2 0 332.492 3.181 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001323000817 1387263257 /nfs/dbraw/zinc/26/32/57/1387263257.db2.gz QWZRULJZFDZLMT-AZUAARDMSA-N 2 0 347.547 3.092 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001323569325 1387391771 /nfs/dbraw/zinc/39/17/71/1387391771.db2.gz ZRLDXLIZFLUUJV-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001324096566 1387539465 /nfs/dbraw/zinc/53/94/65/1387539465.db2.gz COVAPPPCFUMFQB-IEBWSBKVSA-N 2 0 349.563 3.266 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001324237121 1387564439 /nfs/dbraw/zinc/56/44/39/1387564439.db2.gz TZMCNPBIAPAHEE-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)[NH+](C)C ZINC001324496896 1387650448 /nfs/dbraw/zinc/65/04/48/1387650448.db2.gz DNXBWOBMFJZQSC-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001324658375 1387720462 /nfs/dbraw/zinc/72/04/62/1387720462.db2.gz VIFPYXFPMNZLJF-RXVVDRJESA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001324769125 1387764413 /nfs/dbraw/zinc/76/44/13/1387764413.db2.gz BOGLAQHETXQWSC-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001324787360 1387773138 /nfs/dbraw/zinc/77/31/38/1387773138.db2.gz DZETXXHLLSMVGS-AZUAARDMSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH+]1CCC(C)(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001324905396 1387814832 /nfs/dbraw/zinc/81/48/32/1387814832.db2.gz TYWWVTOTUILLNT-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001324904911 1387814978 /nfs/dbraw/zinc/81/49/78/1387814978.db2.gz OCTHXLGEEPPBOP-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC001325271700 1387925997 /nfs/dbraw/zinc/92/59/97/1387925997.db2.gz DEMMWKRIJNWXFT-SJORKVTESA-N 2 0 348.560 3.406 10 0 EGAERP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001325302786 1387930402 /nfs/dbraw/zinc/93/04/02/1387930402.db2.gz JOUBYVRZHAPLKE-AWEZNQCLSA-N 2 0 329.410 3.259 10 0 EGAERP CC1(C)[C@@H](O)CC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001194627225 1368299185 /nfs/dbraw/zinc/29/91/85/1368299185.db2.gz WRNOAOGKVMTMCC-FQEVSTJZSA-N 2 0 330.516 3.176 10 0 EGAERP CCCC[N@H+](C[C@@H](O)C1(O)CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544251 1368636150 /nfs/dbraw/zinc/63/61/50/1368636150.db2.gz CLAAMUWBMTXITQ-QGZVFWFLSA-N 2 0 340.552 3.064 10 0 EGAERP C[C@H]1CCCC[C@@H]1N(C)C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001197285185 1368780536 /nfs/dbraw/zinc/78/05/36/1368780536.db2.gz PAQDTABYJPQSGZ-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CO[C@@H](C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1)c1ccc(F)cc1 ZINC001197378422 1368801170 /nfs/dbraw/zinc/80/11/70/1368801170.db2.gz ZFUDIUDMVAVLSP-BEFAXECRSA-N 2 0 329.419 3.119 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001325402969 1387962035 /nfs/dbraw/zinc/96/20/35/1387962035.db2.gz AADNTVOHXLDDGG-CVEARBPZSA-N 2 0 349.544 3.216 10 0 EGAERP CN1CCC[C@@H]2[C@H]1CC[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001197498157 1368827135 /nfs/dbraw/zinc/82/71/35/1368827135.db2.gz XLRISIUHZRGJOG-NHCUHLMSSA-N 2 0 327.516 3.341 10 0 EGAERP CC(C)(C)OC(=O)N[C@@H]1CN(CCC[NH+]2CCCCC2)CC1(C)C ZINC001197728929 1368882223 /nfs/dbraw/zinc/88/22/23/1368882223.db2.gz RILSVOILCURLMO-MRXNPFEDSA-N 2 0 339.524 3.098 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+]([C@H]2CCc3c2cccc3F)CC1 ZINC001198613011 1369073142 /nfs/dbraw/zinc/07/31/42/1369073142.db2.gz UOSGRVPLHVOQBC-IBGZPJMESA-N 2 0 332.463 3.126 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC001325917976 1388081431 /nfs/dbraw/zinc/08/14/31/1388081431.db2.gz CPVZQXPWLVINCI-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)CC1 ZINC001116510959 1370927460 /nfs/dbraw/zinc/92/74/60/1370927460.db2.gz FJJHERATLFLEKA-WOJBJXKFSA-N 2 0 327.516 3.497 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)CCN1c1cc[nH+]cc1 ZINC001119516240 1371360158 /nfs/dbraw/zinc/36/01/58/1371360158.db2.gz SETZZAGLSLFERT-KRWDZBQOSA-N 2 0 347.466 3.193 10 0 EGAERP C[N@@H+]1C[C@@H]2C[NH+](CCc3ccc(OC(F)(F)F)cc3)C[C@]2(C)C1 ZINC001119952556 1371430649 /nfs/dbraw/zinc/43/06/49/1371430649.db2.gz WOPACFQXAVVYOG-ZBFHGGJFSA-N 2 0 328.378 3.011 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001326303041 1388147205 /nfs/dbraw/zinc/14/72/05/1388147205.db2.gz KFYSHDBCONFTJY-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCc2c(CNC(=O)[C@@H](CC)[NH+](C)C)cccc2C1 ZINC001326675713 1388279554 /nfs/dbraw/zinc/27/95/54/1388279554.db2.gz RFPZPPAQSYFDCV-OXQOHEQNSA-N 2 0 345.531 3.047 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001327130544 1388393837 /nfs/dbraw/zinc/39/38/37/1388393837.db2.gz MVSIOTAYOKWQDH-ACBHZAAOSA-N 2 0 349.563 3.268 10 0 EGAERP CN(c1ccccc1C[NH2+]C1CC2(CC2(F)F)C1)C1CC[NH+](C)CC1 ZINC001327210808 1388443485 /nfs/dbraw/zinc/44/34/85/1388443485.db2.gz UYZLWEJECLAMLJ-UHFFFAOYSA-N 2 0 349.469 3.494 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001265707855 1377162879 /nfs/dbraw/zinc/16/28/79/1377162879.db2.gz GRIZZWJSDKTCOO-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001266374203 1377299059 /nfs/dbraw/zinc/29/90/59/1377299059.db2.gz ULAZMXUMYQKIRS-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741034 1377371171 /nfs/dbraw/zinc/37/11/71/1377371171.db2.gz HZEORJXBPDBBGX-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001266741033 1377371361 /nfs/dbraw/zinc/37/13/61/1377371361.db2.gz HZEORJXBPDBBGX-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266842677 1377390424 /nfs/dbraw/zinc/39/04/24/1377390424.db2.gz SDXHRFBMXVKUCL-WYNBNGFRSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001266971956 1377406165 /nfs/dbraw/zinc/40/61/65/1377406165.db2.gz RSGWSJJHLDYHKS-MRXNPFEDSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001267473601 1377446462 /nfs/dbraw/zinc/44/64/62/1377446462.db2.gz LKBRXWYDJHJJQK-CALCHBBNSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001137309990 1377513887 /nfs/dbraw/zinc/51/38/87/1377513887.db2.gz XGOZZEIMUGCANS-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001269799276 1377573432 /nfs/dbraw/zinc/57/34/32/1377573432.db2.gz UCBWYFLZQAJCDQ-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[C@H](C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1)n1ccnc1 ZINC001270851307 1377615927 /nfs/dbraw/zinc/61/59/27/1377615927.db2.gz KPHIKMCDDYFWRW-GOSISDBHSA-N 2 0 346.519 3.051 10 0 EGAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001270982295 1377620265 /nfs/dbraw/zinc/62/02/65/1377620265.db2.gz HPIVOCMFEQYSAB-PZJWPPBQSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CCC[C@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001278521425 1378278187 /nfs/dbraw/zinc/27/81/87/1378278187.db2.gz NNQKRGWCIGLRSP-ICSRJNTNSA-N 2 0 345.531 3.033 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH+]2CC[C@@H](F)C2)cc1 ZINC001141770348 1378374300 /nfs/dbraw/zinc/37/43/00/1378374300.db2.gz OJZYPVXLTZSBMC-FUHWJXTLSA-N 2 0 347.478 3.433 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283172351 1378752423 /nfs/dbraw/zinc/75/24/23/1378752423.db2.gz BJNAWVZHCWESDO-FXAWDEMLSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283230921 1378766485 /nfs/dbraw/zinc/76/64/85/1378766485.db2.gz XIMLVIODIUNQHJ-AOIWGVFYSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001283259082 1378774232 /nfs/dbraw/zinc/77/42/32/1378774232.db2.gz FFGSCHRQJFGRRM-OALUTQOASA-N 2 0 345.531 3.020 10 0 EGAERP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001283318013 1378802754 /nfs/dbraw/zinc/80/27/54/1378802754.db2.gz UNDMFVUEASIPRQ-AATRIKPKSA-N 2 0 347.547 3.284 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001283434756 1378926617 /nfs/dbraw/zinc/92/66/17/1378926617.db2.gz SMLKEBPUSFHOHO-IBGZPJMESA-N 2 0 343.515 3.110 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001283623968 1379061412 /nfs/dbraw/zinc/06/14/12/1379061412.db2.gz XUGPRTLQKPWZJR-QFBILLFUSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001283664965 1379094139 /nfs/dbraw/zinc/09/41/39/1379094139.db2.gz QQKUNWPLCXJRFW-MSOLQXFVSA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284056694 1379408106 /nfs/dbraw/zinc/40/81/06/1379408106.db2.gz IHWKYFOGPRLACJ-WSTZPKSXSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001284088132 1379454548 /nfs/dbraw/zinc/45/45/48/1379454548.db2.gz UGUWYEPMFGQXPO-GUDVDZBRSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001284149888 1379544434 /nfs/dbraw/zinc/54/44/34/1379544434.db2.gz ZNWNBOHLDGTFJR-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001284247109 1379630534 /nfs/dbraw/zinc/63/05/34/1379630534.db2.gz PVDUIBOTAVXEIT-HKUYNNGSSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCC1=CCCCC1 ZINC001327905563 1388620518 /nfs/dbraw/zinc/62/05/18/1388620518.db2.gz VOVLHFNCMWNGTD-PKOBYXMFSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001284334787 1379729765 /nfs/dbraw/zinc/72/97/65/1379729765.db2.gz HFJPQYIAJMQDBL-IEBWSBKVSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)Cc1cc(C)ccc1C)C(C)C)[NH+](C)C ZINC001284538887 1379946026 /nfs/dbraw/zinc/94/60/26/1379946026.db2.gz YQBNHJHCZJBVBB-HXUWFJFHSA-N 2 0 347.547 3.312 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)[C@H]1CCc2ccccc21)C(C)C)[NH+](C)C ZINC001284554078 1379962941 /nfs/dbraw/zinc/96/29/41/1379962941.db2.gz YRTRIYRYIOZKTC-PMACEKPBSA-N 2 0 345.531 3.183 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH]cn1 ZINC001284596625 1379997692 /nfs/dbraw/zinc/99/76/92/1379997692.db2.gz ACDNRHGSEVOCAU-SFHVURJKSA-N 2 0 348.535 3.433 10 0 EGAERP C[C@H](CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[NH+]1CCCCC1 ZINC001154078589 1380200706 /nfs/dbraw/zinc/20/07/06/1380200706.db2.gz OIZZSKNBASRAAV-MRXNPFEDSA-N 2 0 342.487 3.285 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001328048358 1388653243 /nfs/dbraw/zinc/65/32/43/1388653243.db2.gz GUBHRWLTNJAXPT-KRWDZBQOSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001328353972 1388728463 /nfs/dbraw/zinc/72/84/63/1388728463.db2.gz KNXNGZQXBMNXMS-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001328588703 1388784277 /nfs/dbraw/zinc/78/42/77/1388784277.db2.gz XYEXTTQJGWEVJY-GHOSXJJBSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001328662161 1388801742 /nfs/dbraw/zinc/80/17/42/1388801742.db2.gz PXBHAMCVRWZISA-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)[NH+](C)C ZINC001296530907 1383012152 /nfs/dbraw/zinc/01/21/52/1383012152.db2.gz WVYUTLRNIDUHMZ-XEYPJELSSA-N 2 0 343.515 3.119 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001167601536 1383686711 /nfs/dbraw/zinc/68/67/11/1383686711.db2.gz DGVBIIHEYUKSPN-QHAWAJNXSA-N 2 0 346.515 3.339 10 0 EGAERP CC(C)[C@H](CCO)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001169103150 1384107349 /nfs/dbraw/zinc/10/73/49/1384107349.db2.gz SMYPTRZLSNXLKN-NRFANRHFSA-N 2 0 332.532 3.328 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001316774480 1384573241 /nfs/dbraw/zinc/57/32/41/1384573241.db2.gz UCFZKYWCXIXOKM-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001316804513 1384595005 /nfs/dbraw/zinc/59/50/05/1384595005.db2.gz OTABXTQWMULHJI-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC001316804869 1384595298 /nfs/dbraw/zinc/59/52/98/1384595298.db2.gz DKLNNCUIVABQGR-ZWKOTPCHSA-N 2 0 325.541 3.076 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316811692 1384609205 /nfs/dbraw/zinc/60/92/05/1384609205.db2.gz OABXCKWSHHIHIL-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001171808350 1384644923 /nfs/dbraw/zinc/64/49/23/1384644923.db2.gz UVSYXSUMXMYYJM-CMKODMSKSA-N 2 0 343.515 3.030 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001316944142 1384716026 /nfs/dbraw/zinc/71/60/26/1384716026.db2.gz JWXSZVWWOIMOSH-DAWZGUTISA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001316948353 1384719443 /nfs/dbraw/zinc/71/94/43/1384719443.db2.gz RHHLFWHARPQDLE-FQEVSTJZSA-N 2 0 345.531 3.175 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317035439 1384805779 /nfs/dbraw/zinc/80/57/79/1384805779.db2.gz UDVVZUZYCYQOKU-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317037599 1384809107 /nfs/dbraw/zinc/80/91/07/1384809107.db2.gz WJLLCIKVMGJZJF-QUCCMNQESA-N 2 0 349.563 3.079 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001317065015 1384835384 /nfs/dbraw/zinc/83/53/84/1384835384.db2.gz NXGKFSRMNGHZBX-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCC3)C2)CCCCC1 ZINC001317117330 1384876872 /nfs/dbraw/zinc/87/68/72/1384876872.db2.gz SHDNDLFTGFCCJC-KDURUIRLSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001317140785 1384909007 /nfs/dbraw/zinc/90/90/07/1384909007.db2.gz QYBZYKGZAUSHAB-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317142355 1384910947 /nfs/dbraw/zinc/91/09/47/1384910947.db2.gz AUTYRQIEKYRGBH-UEKDZROGSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001317142710 1384911290 /nfs/dbraw/zinc/91/12/90/1384911290.db2.gz GHKHKWGBEXPQBR-WOJBJXKFSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317153419 1384919387 /nfs/dbraw/zinc/91/93/87/1384919387.db2.gz QONHNLUJTXNDAS-XHHZUUQWSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317187532 1384961966 /nfs/dbraw/zinc/96/19/66/1384961966.db2.gz FWVPGEWXEXMSNW-SFHVURJKSA-N 2 0 335.536 3.166 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317191240 1384965377 /nfs/dbraw/zinc/96/53/77/1384965377.db2.gz YOVVUGODASXBIZ-UXHICEINSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001317264809 1385034613 /nfs/dbraw/zinc/03/46/13/1385034613.db2.gz LRUOTNXHHDPUSF-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001317284866 1385056564 /nfs/dbraw/zinc/05/65/64/1385056564.db2.gz YPVCLIMIPVOBGD-DLBZAZTESA-N 2 0 343.515 3.061 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001317295053 1385067794 /nfs/dbraw/zinc/06/77/94/1385067794.db2.gz UMDXCBCGHLQBHX-RTBURBONSA-N 2 0 345.531 3.335 10 0 EGAERP C[C@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407037 1385119296 /nfs/dbraw/zinc/11/92/96/1385119296.db2.gz VFDVUKUPQCAWLW-DNVCBOLYSA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)(C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCCC1 ZINC001317423188 1385130176 /nfs/dbraw/zinc/13/01/76/1385130176.db2.gz LQRVPQGMZMUBDI-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001317434167 1385137906 /nfs/dbraw/zinc/13/79/06/1385137906.db2.gz JUFXMXTVWCBHFV-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001317478815 1385174654 /nfs/dbraw/zinc/17/46/54/1385174654.db2.gz XZEKCDARZWQDRX-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317502254 1385205070 /nfs/dbraw/zinc/20/50/70/1385205070.db2.gz IDCWIWMXFHNZLQ-VZSQWMKGSA-N 2 0 347.547 3.189 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)C12CCC[NH+](CCC1)C2 ZINC001317554068 1385318633 /nfs/dbraw/zinc/31/86/33/1385318633.db2.gz SMJZSFXYOWQYJZ-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CCc1ccc(NC(=O)C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC001175600863 1385346118 /nfs/dbraw/zinc/34/61/18/1385346118.db2.gz DJVKTBUAVZDVLJ-UHFFFAOYSA-N 2 0 345.531 3.487 10 0 EGAERP CCc1ccc(C[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C(C)C)cc1 ZINC001317698127 1385404964 /nfs/dbraw/zinc/40/49/64/1385404964.db2.gz JLNCSZGVHXYGOD-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccc(C(C)C)cc1 ZINC001317714190 1385415745 /nfs/dbraw/zinc/41/57/45/1385415745.db2.gz NQDITVCZEOATOS-IBGZPJMESA-N 2 0 331.504 3.063 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317837701 1385523605 /nfs/dbraw/zinc/52/36/05/1385523605.db2.gz UOBHLFTXNCDRGT-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317861790 1385546574 /nfs/dbraw/zinc/54/65/74/1385546574.db2.gz DCMJCSKQTDOBRG-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317917252 1385567784 /nfs/dbraw/zinc/56/77/84/1385567784.db2.gz YUELVVVTEAIRFF-DXPXIUTNSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317975596 1385594787 /nfs/dbraw/zinc/59/47/87/1385594787.db2.gz PGFQIVWDUYUCDB-XOUUWWQPSA-N 2 0 349.563 3.434 10 0 EGAERP O=C([C@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001318916893 1385881818 /nfs/dbraw/zinc/88/18/18/1385881818.db2.gz HWQKPJCSIKKRTB-WOJBJXKFSA-N 2 0 347.547 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001318929575 1385885316 /nfs/dbraw/zinc/88/53/16/1385885316.db2.gz SGQQGLCYQIHJIP-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001318938060 1385888771 /nfs/dbraw/zinc/88/87/71/1385888771.db2.gz RRXNDUJKJNSBRB-PRPIBZDOSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001319251399 1386025458 /nfs/dbraw/zinc/02/54/58/1386025458.db2.gz SAFUFOQRRZBTGC-SJORKVTESA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CC(C)(C)C1 ZINC001319251396 1386025926 /nfs/dbraw/zinc/02/59/26/1386025926.db2.gz SAFUFOQRRZBTGC-DLBZAZTESA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001319376704 1386089323 /nfs/dbraw/zinc/08/93/23/1386089323.db2.gz AZJOKRCCNNYYBD-SNAWJCMRSA-N 2 0 335.536 3.093 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001698633504 1406277256 /nfs/dbraw/zinc/27/72/56/1406277256.db2.gz LDNQLJZXBGNAHB-SNAWJCMRSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001319591996 1386194471 /nfs/dbraw/zinc/19/44/71/1386194471.db2.gz GDLDYTIKEGEXDU-KRWDZBQOSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319609371 1386207644 /nfs/dbraw/zinc/20/76/44/1386207644.db2.gz LLVQNSNHDRDXMB-QZTJIDSGSA-N 2 0 339.568 3.416 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319658111 1386237876 /nfs/dbraw/zinc/23/78/76/1386237876.db2.gz WDKWNQVLWNCATG-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCCC2CCCC2)CCCC1 ZINC001698636102 1406281900 /nfs/dbraw/zinc/28/19/00/1406281900.db2.gz JHBKJDDBNGLADM-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CCCC2)CC1 ZINC001319775542 1386291929 /nfs/dbraw/zinc/29/19/29/1386291929.db2.gz WOTSWPTUNOCWBO-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001319882158 1386357805 /nfs/dbraw/zinc/35/78/05/1386357805.db2.gz RCGCQXAHVFSDGO-FQEVSTJZSA-N 2 0 343.515 3.012 10 0 EGAERP CCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001319888321 1386364386 /nfs/dbraw/zinc/36/43/86/1386364386.db2.gz NYFAWHXNWPEAEA-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001319922724 1386393549 /nfs/dbraw/zinc/39/35/49/1386393549.db2.gz RBWYFIJBMLDDSQ-QGZVFWFLSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001319934969 1386401909 /nfs/dbraw/zinc/40/19/09/1386401909.db2.gz HIOTZFYWMMXWJQ-OALUTQOASA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001319969359 1386425962 /nfs/dbraw/zinc/42/59/62/1386425962.db2.gz YHOZLWIWBLYKMP-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001320639259 1386675103 /nfs/dbraw/zinc/67/51/03/1386675103.db2.gz HTIJEHORBISKRK-ROUUACIJSA-N 2 0 345.531 3.451 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001320646397 1386678071 /nfs/dbraw/zinc/67/80/71/1386678071.db2.gz XDGGDVYOWVMJBC-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(C)C)C1 ZINC001698672917 1406322186 /nfs/dbraw/zinc/32/21/86/1406322186.db2.gz MSRXOZQPSNEMLF-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1F ZINC001321250417 1386856675 /nfs/dbraw/zinc/85/66/75/1386856675.db2.gz NNQVAJGOUSPKPQ-QWGSZXSUSA-N 2 0 349.494 3.127 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CC2CCCCCC2)CC1 ZINC001321314698 1386873965 /nfs/dbraw/zinc/87/39/65/1386873965.db2.gz JFFQNTQNWCKMME-FPLPWBNLSA-N 2 0 349.563 3.339 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001698678316 1406326258 /nfs/dbraw/zinc/32/62/58/1406326258.db2.gz WTKDRWQSVMJQSA-PXNSSMCTSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321628530 1386944627 /nfs/dbraw/zinc/94/46/27/1386944627.db2.gz YDTIKQSBNGCDMT-MSIWKICXSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001321663553 1386953319 /nfs/dbraw/zinc/95/33/19/1386953319.db2.gz QPIFDYDNRZIXJS-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1)c1ccccc1 ZINC001322042252 1387037484 /nfs/dbraw/zinc/03/74/84/1387037484.db2.gz OVSFVMKREOZOSI-YJBOKZPZSA-N 2 0 345.512 3.035 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001322159026 1387081998 /nfs/dbraw/zinc/08/19/98/1387081998.db2.gz XWTPYRVFRXUSFR-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001322175329 1387088572 /nfs/dbraw/zinc/08/85/72/1387088572.db2.gz JUZHJWUPOAQCJV-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC(CC[NH2+]CC3=CCCCC3)CC2)CC1 ZINC001698698734 1406341587 /nfs/dbraw/zinc/34/15/87/1406341587.db2.gz IYUFGCRSZDEAEG-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322257794 1387124245 /nfs/dbraw/zinc/12/42/45/1387124245.db2.gz ICHCNHRRODDIER-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001322281524 1387138046 /nfs/dbraw/zinc/13/80/46/1387138046.db2.gz PWAFHVDNHVBRAC-MJGOQNOKSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322346622 1387165883 /nfs/dbraw/zinc/16/58/83/1387165883.db2.gz PFAIHLOMYWCXAT-WLMAVBAVSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)N(C)C(=O)OC(C)(C)C ZINC001322444136 1387187646 /nfs/dbraw/zinc/18/76/46/1387187646.db2.gz BDSKZAJYNNUMOZ-TWMKSMIVSA-N 2 0 339.524 3.094 10 0 EGAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001322843528 1387245122 /nfs/dbraw/zinc/24/51/22/1387245122.db2.gz CHXXMAKZLLLHAB-ROUUACIJSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001322852605 1387246740 /nfs/dbraw/zinc/24/67/40/1387246740.db2.gz SGGSPNPPWQDKLI-PMACEKPBSA-N 2 0 345.531 3.450 10 0 EGAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329291397 1389051846 /nfs/dbraw/zinc/05/18/46/1389051846.db2.gz TVDGFJBGRBVCPB-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001698714165 1406356952 /nfs/dbraw/zinc/35/69/52/1406356952.db2.gz CMGGMNMBWJGVEK-IYARVYRRSA-N 2 0 349.544 3.141 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CCCC1CCC1 ZINC001329462533 1389119132 /nfs/dbraw/zinc/11/91/32/1389119132.db2.gz YOHFQTAYYFMYJA-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1)c1ccccc1 ZINC001329861453 1389238846 /nfs/dbraw/zinc/23/88/46/1389238846.db2.gz SJPUVECHTCKDKF-IEBWSBKVSA-N 2 0 343.515 3.108 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001329886650 1389245886 /nfs/dbraw/zinc/24/58/86/1389245886.db2.gz FMDAJATZWCKSHT-RBUKOAKNSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001330075373 1389301664 /nfs/dbraw/zinc/30/16/64/1389301664.db2.gz UOTQYCHBMJWBGR-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330242415 1389359234 /nfs/dbraw/zinc/35/92/34/1389359234.db2.gz BOGVPYDMHOTVDU-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001331053713 1389611715 /nfs/dbraw/zinc/61/17/15/1389611715.db2.gz LRFYCKZCHYNABS-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2cccc(F)c2)CC1 ZINC001331075260 1389622054 /nfs/dbraw/zinc/62/20/54/1389622054.db2.gz UATWENYABVGYPV-INIZCTEOSA-N 2 0 349.494 3.150 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001331176544 1389643369 /nfs/dbraw/zinc/64/33/69/1389643369.db2.gz LPNBBWGTWRWEDQ-SFHVURJKSA-N 2 0 331.504 3.108 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001331439954 1389749525 /nfs/dbraw/zinc/74/95/25/1389749525.db2.gz PTILJTROUJONFK-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748724 1406399228 /nfs/dbraw/zinc/39/92/28/1406399228.db2.gz PALFMNDWTAUXPK-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001331900480 1389903064 /nfs/dbraw/zinc/90/30/64/1389903064.db2.gz BLMQGWTVOFTWED-MAUKXSAKSA-N 2 0 328.460 3.026 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001331926660 1389913664 /nfs/dbraw/zinc/91/36/64/1389913664.db2.gz MJADZQAKFPKGSZ-WAQVGJNASA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCC1=CCCCC1 ZINC001698755448 1406407826 /nfs/dbraw/zinc/40/78/26/1406407826.db2.gz OVXONVUALQMVDO-GOSISDBHSA-N 2 0 347.547 3.095 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001331940794 1389919209 /nfs/dbraw/zinc/91/92/09/1389919209.db2.gz SFVFQHAPNJKMHI-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332806110 1390191000 /nfs/dbraw/zinc/19/10/00/1390191000.db2.gz FPOBLWFXEWFOKG-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)[NH+](C)C ZINC001332809408 1390191976 /nfs/dbraw/zinc/19/19/76/1390191976.db2.gz YAINEQYFNHWVQW-SJORKVTESA-N 2 0 339.568 3.129 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001332971995 1390226832 /nfs/dbraw/zinc/22/68/32/1390226832.db2.gz GVJJSPJWGBDUJC-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001332992754 1390232349 /nfs/dbraw/zinc/23/23/49/1390232349.db2.gz QTBIKTWWPVDAFJ-KRWDZBQOSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001333071693 1390245073 /nfs/dbraw/zinc/24/50/73/1390245073.db2.gz YWIZNNGIROORSR-ACBHZAAOSA-N 2 0 335.536 3.019 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001333459129 1390309265 /nfs/dbraw/zinc/30/92/65/1390309265.db2.gz YJUSCZYFSXQHJV-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[N@H+]2C1 ZINC001349929906 1391387111 /nfs/dbraw/zinc/38/71/11/1391387111.db2.gz LQMCBKPJWKDSJO-ZTFGCOKTSA-N 2 0 329.488 3.116 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001698823069 1406515015 /nfs/dbraw/zinc/51/50/15/1406515015.db2.gz BVTZBZCSIYIEOM-CQSZACIVSA-N 2 0 339.549 3.296 10 0 EGAERP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H](O)c1c(F)cccc1F ZINC001351506693 1391646881 /nfs/dbraw/zinc/64/68/81/1391646881.db2.gz DCDVHAQPLXSYTH-YLQAJVPDSA-N 2 0 326.431 3.239 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001488852214 1391735247 /nfs/dbraw/zinc/73/52/47/1391735247.db2.gz WHOHLHCVOBPQPO-ZWOKBUDYSA-N 2 0 345.531 3.307 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479523518 1392268009 /nfs/dbraw/zinc/26/80/09/1392268009.db2.gz FQSYGJYGQLIXBF-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001479572079 1392278683 /nfs/dbraw/zinc/27/86/83/1392278683.db2.gz GOYSZHGRPVHIHM-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC(C)(C)C ZINC001479640345 1392301895 /nfs/dbraw/zinc/30/18/95/1392301895.db2.gz IEBHFVVJAJYPRZ-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)[NH+](CC)CC ZINC001479691598 1392322894 /nfs/dbraw/zinc/32/28/94/1392322894.db2.gz CQRLTCMWTDPQJJ-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001479740413 1392353433 /nfs/dbraw/zinc/35/34/33/1392353433.db2.gz LHSQHKGLPFVOIF-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP Cc1ccc(C)c(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001479772412 1392379617 /nfs/dbraw/zinc/37/96/17/1392379617.db2.gz OMPJRLTUWQOCAR-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@H]1CCc2ccccc21 ZINC001479796023 1392395398 /nfs/dbraw/zinc/39/53/98/1392395398.db2.gz ALZREPAWKRILMQ-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001479877586 1392453894 /nfs/dbraw/zinc/45/38/94/1392453894.db2.gz VKNMDXJCQSYJAF-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001479893831 1392463156 /nfs/dbraw/zinc/46/31/56/1392463156.db2.gz ZMABHDBQPQTZIB-GOSISDBHSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)=CC[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001479896200 1392464701 /nfs/dbraw/zinc/46/47/01/1392464701.db2.gz JFARABOJPOEFJD-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001479905264 1392472931 /nfs/dbraw/zinc/47/29/31/1392472931.db2.gz YWYLMIMVVRVPJH-AZUAARDMSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001480103306 1392587084 /nfs/dbraw/zinc/58/70/84/1392587084.db2.gz KGPFLMFNYBZWGB-KDURUIRLSA-N 2 0 335.536 3.118 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)c1 ZINC001480122226 1392595269 /nfs/dbraw/zinc/59/52/69/1392595269.db2.gz XCGYOFRJBYLJFK-FQEVSTJZSA-N 2 0 343.515 3.133 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480266460 1392651017 /nfs/dbraw/zinc/65/10/17/1392651017.db2.gz STYRCSPWLYFXIX-TZFVZSICSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)C)C1 ZINC001480357585 1392703787 /nfs/dbraw/zinc/70/37/87/1392703787.db2.gz ACLMDOGURAWBNY-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001480461841 1392759835 /nfs/dbraw/zinc/75/98/35/1392759835.db2.gz OWRGZYDBDSZSJB-QGZVFWFLSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CNC(=O)CC[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC001480530379 1392781095 /nfs/dbraw/zinc/78/10/95/1392781095.db2.gz FVUIQJABTINACS-NWDGAFQWSA-N 2 0 346.302 3.100 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001480597273 1392812254 /nfs/dbraw/zinc/81/22/54/1392812254.db2.gz OIBOUFNQEBRQCL-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001480705248 1392868218 /nfs/dbraw/zinc/86/82/18/1392868218.db2.gz OLEDTUJHDZEOFX-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480730535 1392893637 /nfs/dbraw/zinc/89/36/37/1392893637.db2.gz KEGRTEUQLSYAJG-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2cc(C)ccc2C)CC[N@@H+]1C ZINC001480765778 1392920767 /nfs/dbraw/zinc/92/07/67/1392920767.db2.gz UVNVDYRYGCXWKC-YSIASYRMSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCC1CCCCCC1 ZINC001480806937 1392946200 /nfs/dbraw/zinc/94/62/00/1392946200.db2.gz UECYNOBRXRVLHO-NQIIRXRSSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480825146 1392963784 /nfs/dbraw/zinc/96/37/84/1392963784.db2.gz ZIGYSHVUONONKW-UWCDRFHNSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@H](C)c1ccccc1C ZINC001480980071 1393064296 /nfs/dbraw/zinc/06/42/96/1393064296.db2.gz IHQOIJVKWVRBLG-MOPGFXCFSA-N 2 0 345.531 3.369 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@H](C)c1ccccc1 ZINC001481136424 1393130060 /nfs/dbraw/zinc/13/00/60/1393130060.db2.gz CSXCWUYHFBCXIX-YZGWKJHDSA-N 2 0 345.531 3.306 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CC1CCC(C)CC1 ZINC001481141047 1393131712 /nfs/dbraw/zinc/13/17/12/1393131712.db2.gz CHBTZXLVOJMSIS-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CC1 ZINC001490344487 1393177302 /nfs/dbraw/zinc/17/73/02/1393177302.db2.gz UIIJGJACZPKKPF-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001698884610 1406617500 /nfs/dbraw/zinc/61/75/00/1406617500.db2.gz OJWRKRHFVZQZEY-MOPGFXCFSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)CC1 ZINC001698918572 1406653697 /nfs/dbraw/zinc/65/36/97/1406653697.db2.gz ZMVBJZVRVSWRRU-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)C1 ZINC001481372577 1394214150 /nfs/dbraw/zinc/21/41/50/1394214150.db2.gz OUGNIUKNUKPFJQ-HKUYNNGSSA-N 2 0 345.531 3.212 10 0 EGAERP CCCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481409166 1394265570 /nfs/dbraw/zinc/26/55/70/1394265570.db2.gz JEJGOAZTQCVMLF-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481410992 1394268964 /nfs/dbraw/zinc/26/89/64/1394268964.db2.gz RZIDBJCYJNCWBU-IAGOWNOFSA-N 2 0 325.541 3.076 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001490901278 1394370317 /nfs/dbraw/zinc/37/03/17/1394370317.db2.gz BKMOHAUIOKTOJC-FHWLQOOXSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[NH+](C)CCC1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001698951439 1406691498 /nfs/dbraw/zinc/69/14/98/1406691498.db2.gz CVKSBUBKUWMSPO-HXUWFJFHSA-N 2 0 349.563 3.386 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001491236923 1394488725 /nfs/dbraw/zinc/48/87/25/1394488725.db2.gz PWRADWDOXWCERY-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001481747836 1394492726 /nfs/dbraw/zinc/49/27/26/1394492726.db2.gz TYEJYAWEFFEVGX-WOJBJXKFSA-N 2 0 345.531 3.183 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC(CC[N@H+](C)CCC(C)(C)C)CC1 ZINC001698954323 1406699346 /nfs/dbraw/zinc/69/93/46/1406699346.db2.gz RRJARMCYABPMAT-UHFFFAOYSA-N 2 0 339.568 3.325 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(C3CC3)cc2)CCCC1 ZINC001481904473 1394589436 /nfs/dbraw/zinc/58/94/36/1394589436.db2.gz GDPJWEVLSYMHNC-UHFFFAOYSA-N 2 0 343.515 3.034 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960110 1394620871 /nfs/dbraw/zinc/62/08/71/1394620871.db2.gz BAJGFCYXCREPNO-UWJYYQICSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001481976818 1394637986 /nfs/dbraw/zinc/63/79/86/1394637986.db2.gz MFKRTPFBXUNLJO-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1)c1cccc(F)c1 ZINC001482003577 1394663112 /nfs/dbraw/zinc/66/31/12/1394663112.db2.gz IDQXKXUIDKMRRI-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001482003348 1394663287 /nfs/dbraw/zinc/66/32/87/1394663287.db2.gz CFQSZNGGIXPSKG-UHFFFAOYSA-N 2 0 345.531 3.033 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001482016528 1394673927 /nfs/dbraw/zinc/67/39/27/1394673927.db2.gz HDZRJMBFNRYHSS-UFYCRDLUSA-N 2 0 349.563 3.458 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001482027985 1394686684 /nfs/dbraw/zinc/68/66/84/1394686684.db2.gz WORCOLWRUQCWHU-KZNAEPCWSA-N 2 0 341.515 3.018 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CC3CC4(CCC4)C3)CCCC2)CCC1 ZINC001482222037 1394815479 /nfs/dbraw/zinc/81/54/79/1394815479.db2.gz UNHQOLYOPPKJJS-UHFFFAOYSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001698965694 1406723768 /nfs/dbraw/zinc/72/37/68/1406723768.db2.gz JKCQDHSPEWXJQE-UXHICEINSA-N 2 0 349.563 3.338 10 0 EGAERP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001482317968 1394889650 /nfs/dbraw/zinc/88/96/50/1394889650.db2.gz SWKIGOIYLDSZQN-PKOBYXMFSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482323443 1394894729 /nfs/dbraw/zinc/89/47/29/1394894729.db2.gz JQMGFMQJUJNIHH-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482386632 1394947321 /nfs/dbraw/zinc/94/73/21/1394947321.db2.gz HTUKALOSRUEFGR-INIZCTEOSA-N 2 0 325.541 3.168 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CCCCC2)CCC1 ZINC001482406732 1394970564 /nfs/dbraw/zinc/97/05/64/1394970564.db2.gz TXANVYNMHXPERN-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001482451047 1395009800 /nfs/dbraw/zinc/00/98/00/1395009800.db2.gz QVPCHTAMFLMUDT-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]Cc1ccccc1 ZINC001482497340 1395049695 /nfs/dbraw/zinc/04/96/95/1395049695.db2.gz DRXQHOFCXTUAJF-ICSRJNTNSA-N 2 0 345.531 3.135 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001482497548 1395049748 /nfs/dbraw/zinc/04/97/48/1395049748.db2.gz HEITUKVXUUEQLU-DXPXIUTNSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001482564921 1395091321 /nfs/dbraw/zinc/09/13/21/1395091321.db2.gz HXTOUPVJMFYEPV-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001483845045 1395111954 /nfs/dbraw/zinc/11/19/54/1395111954.db2.gz FQFACRURHMRDHW-ZJOUEHCJSA-N 2 0 349.563 3.077 10 0 EGAERP Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001483917665 1395144529 /nfs/dbraw/zinc/14/45/29/1395144529.db2.gz WYQIMZFCRASBQC-QUCCMNQESA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001483935235 1395151510 /nfs/dbraw/zinc/15/15/10/1395151510.db2.gz QRXOZPLGIMDXGH-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001483938437 1395152920 /nfs/dbraw/zinc/15/29/20/1395152920.db2.gz WFLALSXLJGMOMO-IEBWSBKVSA-N 2 0 345.531 3.031 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001483959405 1395163214 /nfs/dbraw/zinc/16/32/14/1395163214.db2.gz SWPCCXOUMRGEJI-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cc(C)c(C[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001484071697 1395233655 /nfs/dbraw/zinc/23/36/55/1395233655.db2.gz RKYFCNKHAOKLJR-OAQYLSRUSA-N 2 0 345.531 3.033 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001484111263 1395257199 /nfs/dbraw/zinc/25/71/99/1395257199.db2.gz YSKIOVJXIUGLNR-FQEVSTJZSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001484138646 1395275331 /nfs/dbraw/zinc/27/53/31/1395275331.db2.gz ICAVABFSXYNKPK-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCCC1)C2 ZINC001484321432 1395339564 /nfs/dbraw/zinc/33/95/64/1395339564.db2.gz KIZXCYLKTGTMIT-UFYCRDLUSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C(C)C ZINC001698980788 1406757793 /nfs/dbraw/zinc/75/77/93/1406757793.db2.gz NCLNNDBZBIZYOL-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)CC1CCCC1)[NH+](C)C ZINC001484553251 1395433070 /nfs/dbraw/zinc/43/30/70/1395433070.db2.gz BNGBMUJEDBDKGA-HXUWFJFHSA-N 2 0 345.531 3.265 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819644 1395553722 /nfs/dbraw/zinc/55/37/22/1395553722.db2.gz SHFIYQLVHHVYMN-IPLHWJFFSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC001484829623 1395567290 /nfs/dbraw/zinc/56/72/90/1395567290.db2.gz HMBKCMBQOIHNPQ-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001485323879 1395799393 /nfs/dbraw/zinc/79/93/93/1395799393.db2.gz WBGCQRDTONJUAA-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436844 1395903915 /nfs/dbraw/zinc/90/39/15/1395903915.db2.gz ADYSKZQZLYEYMM-MOPGFXCFSA-N 2 0 339.568 3.368 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960203 1396174055 /nfs/dbraw/zinc/17/40/55/1396174055.db2.gz BKQLVNLDUPEHMD-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC001503014904 1396241029 /nfs/dbraw/zinc/24/10/29/1396241029.db2.gz QAOYSKBCCLIQEV-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001492818169 1396325089 /nfs/dbraw/zinc/32/50/89/1396325089.db2.gz ZPEZQACVQWKOSB-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001493134873 1396337414 /nfs/dbraw/zinc/33/74/14/1396337414.db2.gz GDJNLAPMFLLBRP-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001494083060 1396357920 /nfs/dbraw/zinc/35/79/20/1396357920.db2.gz LUNMUVQYZKUFEU-IAGOWNOFSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001495602564 1396548363 /nfs/dbraw/zinc/54/83/63/1396548363.db2.gz PAMOJIDZQFJWLB-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001495948470 1396574850 /nfs/dbraw/zinc/57/48/50/1396574850.db2.gz QTOGOHCEJQKXDV-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001495948467 1396574861 /nfs/dbraw/zinc/57/48/61/1396574861.db2.gz QTOGOHCEJQKXDV-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001496350364 1396661173 /nfs/dbraw/zinc/66/11/73/1396661173.db2.gz HKDQEUROGHPEOE-WWAPKCSDSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001496366163 1396670095 /nfs/dbraw/zinc/67/00/95/1396670095.db2.gz AJTIGFHFONVJOU-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001496426233 1396704006 /nfs/dbraw/zinc/70/40/06/1396704006.db2.gz HADVBEOUHUTHTO-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001496428353 1396704395 /nfs/dbraw/zinc/70/43/95/1396704395.db2.gz NBADCEJCAZFJTL-UYAOXDASSA-N 2 0 343.515 3.204 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001496490830 1396708869 /nfs/dbraw/zinc/70/88/69/1396708869.db2.gz JCDQQZFLBUEQFG-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC(C)(C)C1 ZINC001496571741 1396716334 /nfs/dbraw/zinc/71/63/34/1396716334.db2.gz UEJGNSXTZPPDEC-SFHVURJKSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)[NH+]1CCCC1 ZINC001699011225 1406841728 /nfs/dbraw/zinc/84/17/28/1406841728.db2.gz RRCFIBLSDBFYBP-GOSISDBHSA-N 2 0 339.568 3.323 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585869 1396770928 /nfs/dbraw/zinc/77/09/28/1396770928.db2.gz NOKSHUMYPOVXJX-KWNLBSCQSA-N 2 0 349.906 3.003 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001497765652 1396835862 /nfs/dbraw/zinc/83/58/62/1396835862.db2.gz SRHBUSDCMVPCAA-LLYBFZRZSA-N 2 0 337.895 3.003 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]CC2CC2)CC1 ZINC001689055596 1396855733 /nfs/dbraw/zinc/85/57/33/1396855733.db2.gz JUVKRLPOQOAQFX-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001497992914 1396906837 /nfs/dbraw/zinc/90/68/37/1396906837.db2.gz ITBHBIOXVYBJLG-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001498316737 1396964548 /nfs/dbraw/zinc/96/45/48/1396964548.db2.gz NGEXCDITPDMLCH-OXJNMPFZSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001498454994 1397001902 /nfs/dbraw/zinc/00/19/02/1397001902.db2.gz HBCQHTNFBMWTBK-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001689271548 1397006719 /nfs/dbraw/zinc/00/67/19/1397006719.db2.gz LYSIOUVMWALXIL-LJQANCHMSA-N 2 0 337.552 3.413 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001731999548 1428209677 /nfs/dbraw/zinc/20/96/77/1428209677.db2.gz FSUBQDHIVZKRQB-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001689362518 1403698132 /nfs/dbraw/zinc/69/81/32/1403698132.db2.gz ALIVALHYKISOHG-LKGOPFMKSA-N 2 0 337.552 3.291 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001689807788 1404148552 /nfs/dbraw/zinc/14/85/52/1404148552.db2.gz IAUKCPFRQBBZLV-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001690030176 1404268909 /nfs/dbraw/zinc/26/89/09/1404268909.db2.gz URKNKJJEBZKXFY-HKUYNNGSSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001690207361 1404415365 /nfs/dbraw/zinc/41/53/65/1404415365.db2.gz VJBSEAGTDIVJRF-UVRCQCPESA-N 2 0 347.547 3.282 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001690227379 1404428507 /nfs/dbraw/zinc/42/85/07/1404428507.db2.gz RBGHHLKKHLMDKW-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1 ZINC001690281949 1404444765 /nfs/dbraw/zinc/44/47/65/1404444765.db2.gz OITNZGCEFOQFRI-IYARVYRRSA-N 2 0 349.563 3.457 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001690394205 1404537282 /nfs/dbraw/zinc/53/72/82/1404537282.db2.gz VCPKUJIGWCLUKC-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001690407734 1404543372 /nfs/dbraw/zinc/54/33/72/1404543372.db2.gz PURBRJVBADLLQM-MRXNPFEDSA-N 2 0 349.544 3.218 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001690427794 1404554394 /nfs/dbraw/zinc/55/43/94/1404554394.db2.gz VYENXKCMVCEAMV-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001690435341 1404558491 /nfs/dbraw/zinc/55/84/91/1404558491.db2.gz AGWRWPLNANIMFL-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690436978 1404559460 /nfs/dbraw/zinc/55/94/60/1404559460.db2.gz UKAGVILNZNTUNM-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCC(C)CC1 ZINC001690457681 1404586509 /nfs/dbraw/zinc/58/65/09/1404586509.db2.gz PFTSZIWBKYMEDA-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001690473407 1404597003 /nfs/dbraw/zinc/59/70/03/1404597003.db2.gz SYQYSMJGYIYAMW-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001690541627 1404627274 /nfs/dbraw/zinc/62/72/74/1404627274.db2.gz IXXHEDOJYXNUEJ-SNAWJCMRSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@H](C[NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001690713203 1404695761 /nfs/dbraw/zinc/69/57/61/1404695761.db2.gz LXEUKVMJLMKRNB-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001690815476 1404750381 /nfs/dbraw/zinc/75/03/81/1404750381.db2.gz UTQZTIYXPTWOJF-RURPWVQCSA-N 2 0 335.536 3.140 10 0 EGAERP CC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001690818323 1404753199 /nfs/dbraw/zinc/75/31/99/1404753199.db2.gz DXBXMVOFOUYSOI-RLWBPELLSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001690824799 1404761439 /nfs/dbraw/zinc/76/14/39/1404761439.db2.gz LQYFHIRYBZPDKR-NQIIRXRSSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1CCC2(CC2)CC1 ZINC001691055609 1404975492 /nfs/dbraw/zinc/97/54/92/1404975492.db2.gz FMDDXVYURUJGLI-HDICACEKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)Cc1ccccc1C ZINC001691055985 1404976809 /nfs/dbraw/zinc/97/68/09/1404976809.db2.gz KYFFIURUNDGXAA-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691065835 1404992178 /nfs/dbraw/zinc/99/21/78/1404992178.db2.gz GXMQLGSZOWSYKX-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691082352 1405016429 /nfs/dbraw/zinc/01/64/29/1405016429.db2.gz IJMDWQNVMKZSPD-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691100719 1405039896 /nfs/dbraw/zinc/03/98/96/1405039896.db2.gz BXBPACVDJMIUCC-HSALFYBXSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691149285 1405083068 /nfs/dbraw/zinc/08/30/68/1405083068.db2.gz PKLFSYNTOZVYJU-QWFCFKBJSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001691230595 1405169414 /nfs/dbraw/zinc/16/94/14/1405169414.db2.gz JYAVEXGFAUFTTK-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001691427946 1405260924 /nfs/dbraw/zinc/26/09/24/1405260924.db2.gz HAVTZHNULMSZGY-NEWSRXKRSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001691442073 1405271789 /nfs/dbraw/zinc/27/17/89/1405271789.db2.gz VBCMPRMNHFKHKV-WOJBJXKFSA-N 2 0 345.531 3.103 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001691508204 1405310372 /nfs/dbraw/zinc/31/03/72/1405310372.db2.gz HCXIVQJWDKRCFS-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691585949 1405347429 /nfs/dbraw/zinc/34/74/29/1405347429.db2.gz LXHNPJRWHLVRTK-GPXQEHKYSA-N 2 0 335.536 3.090 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001691620098 1405360700 /nfs/dbraw/zinc/36/07/00/1405360700.db2.gz GTZWZTAVQYGGKX-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691632807 1405369627 /nfs/dbraw/zinc/36/96/27/1405369627.db2.gz QOGURMUONOGQJS-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CC2CC2)C1 ZINC001691636630 1405372499 /nfs/dbraw/zinc/37/24/99/1405372499.db2.gz JVRXKBVCMCDAAE-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCCC2)C1 ZINC001691661609 1405395328 /nfs/dbraw/zinc/39/53/28/1405395328.db2.gz VWPZRHUGERGJPH-AZUAARDMSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001691667665 1405401239 /nfs/dbraw/zinc/40/12/39/1405401239.db2.gz XTZDXSIZQVODPB-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001691692458 1405426894 /nfs/dbraw/zinc/42/68/94/1405426894.db2.gz PGHRHFRDMKYPOE-ROUUACIJSA-N 2 0 339.568 3.226 10 0 EGAERP C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001691731644 1405454951 /nfs/dbraw/zinc/45/49/51/1405454951.db2.gz DXCMTEBCNWIUJR-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001691745764 1405466416 /nfs/dbraw/zinc/46/64/16/1405466416.db2.gz PXRUFILOKNDLIW-ZSYWTGECSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691790115 1405499475 /nfs/dbraw/zinc/49/94/75/1405499475.db2.gz LOVLKCWORZFUIA-ZHALLVOQSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001691792260 1405502156 /nfs/dbraw/zinc/50/21/56/1405502156.db2.gz MHHWDRLNOALHIZ-PSCPARJHSA-N 2 0 343.515 3.274 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001691796718 1405508143 /nfs/dbraw/zinc/50/81/43/1405508143.db2.gz MQDXNOZLANLOLM-YLJYHZDGSA-N 2 0 349.494 3.056 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C ZINC001691798286 1405509585 /nfs/dbraw/zinc/50/95/85/1405509585.db2.gz BWJLCDCEUQUPLM-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001691837290 1405549740 /nfs/dbraw/zinc/54/97/40/1405549740.db2.gz VNSWCXIBVMMJFS-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898496 1405620857 /nfs/dbraw/zinc/62/08/57/1405620857.db2.gz QNKJIGNKPAWUKK-VZSQWMKGSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001692027215 1405746322 /nfs/dbraw/zinc/74/63/22/1405746322.db2.gz QAKGRPOZDBKBAF-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](C)Cc2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001731771146 1427881172 /nfs/dbraw/zinc/88/11/72/1427881172.db2.gz JGFRAUVHPQILFD-VQTJNVASSA-N 2 0 345.531 3.088 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001692194862 1405833871 /nfs/dbraw/zinc/83/38/71/1405833871.db2.gz MZGRLHHKSUEXFC-HMTUNPETSA-N 2 0 347.547 3.330 10 0 EGAERP CCCc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]2C)cc1 ZINC001692224375 1405855207 /nfs/dbraw/zinc/85/52/07/1405855207.db2.gz XWEKMJUMIFPNOQ-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001692246368 1405870864 /nfs/dbraw/zinc/87/08/64/1405870864.db2.gz DNQZUCGJTZMDBU-PMACEKPBSA-N 2 0 347.547 3.284 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001692280424 1405916686 /nfs/dbraw/zinc/91/66/86/1405916686.db2.gz WANSQANTDBOKOB-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CC[C@@H]3CCC[NH+]3C)[C@H]2C)cs1 ZINC001692368387 1405977692 /nfs/dbraw/zinc/97/76/92/1405977692.db2.gz QQHYXVWTCSMKQA-NJAFHUGGSA-N 2 0 349.544 3.010 10 0 EGAERP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001698584234 1406199102 /nfs/dbraw/zinc/19/91/02/1406199102.db2.gz ZFNYMGLSYKFXJR-QLOJAFMTSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732021477 1428238762 /nfs/dbraw/zinc/23/87/62/1428238762.db2.gz DSSSGJXNGRGPAB-PKOBYXMFSA-N 2 0 343.515 3.108 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732067888 1428315867 /nfs/dbraw/zinc/31/58/67/1428315867.db2.gz BCQVWUKQUMLCTF-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001732076232 1428327516 /nfs/dbraw/zinc/32/75/16/1428327516.db2.gz NIQFHAJTMMWQCM-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC(C[N@H+](C)CCC(C)(C)C)CC2)CCC1 ZINC001732085326 1428344872 /nfs/dbraw/zinc/34/48/72/1428344872.db2.gz IDGZBKWEILZPDP-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732166988 1428410147 /nfs/dbraw/zinc/41/01/47/1428410147.db2.gz SMASGLUXJGZKPN-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001732231494 1428478214 /nfs/dbraw/zinc/47/82/14/1428478214.db2.gz QLTIQMQEEAFMIY-QVOQXLMASA-N 2 0 347.547 3.378 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001732289724 1428515928 /nfs/dbraw/zinc/51/59/28/1428515928.db2.gz XVIFBSTXEOFOIH-ZVDOUQERSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001732298130 1428518604 /nfs/dbraw/zinc/51/86/04/1428518604.db2.gz SULKSZKAQUAUPC-AATRIKPKSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001732311290 1428524414 /nfs/dbraw/zinc/52/44/14/1428524414.db2.gz YYXPKXJTQHCXLK-NCXUSEDFSA-N 2 0 335.536 3.211 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCC(C)(C)C ZINC001732346526 1428543120 /nfs/dbraw/zinc/54/31/20/1428543120.db2.gz WGSLTEVNBXCCHK-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001732392974 1428561660 /nfs/dbraw/zinc/56/16/60/1428561660.db2.gz XSUKARCZKXAIDW-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001732399891 1428566101 /nfs/dbraw/zinc/56/61/01/1428566101.db2.gz IZCBXOBNSMNRJV-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732470022 1428598569 /nfs/dbraw/zinc/59/85/69/1428598569.db2.gz PRTOSJXSGZVAKQ-ZWKOTPCHSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732474199 1428600983 /nfs/dbraw/zinc/60/09/83/1428600983.db2.gz YQQHTDPJBYFIBD-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001732477769 1428603728 /nfs/dbraw/zinc/60/37/28/1428603728.db2.gz OQXLSQQAXLHNIJ-GNAXCBTBSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001732496124 1428617846 /nfs/dbraw/zinc/61/78/46/1428617846.db2.gz QIYSKTLAGBFZER-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732508676 1428627903 /nfs/dbraw/zinc/62/79/03/1428627903.db2.gz YAMLIMGYKDFPGR-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCC2)C1 ZINC001732516089 1428635243 /nfs/dbraw/zinc/63/52/43/1428635243.db2.gz DQZNFPKVMDCABW-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001699101850 1412510914 /nfs/dbraw/zinc/51/09/14/1412510914.db2.gz YFGDDVKFLUHART-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001699188926 1412561808 /nfs/dbraw/zinc/56/18/08/1412561808.db2.gz USKFGIAEFUGFOW-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001699236451 1412592933 /nfs/dbraw/zinc/59/29/33/1412592933.db2.gz KQGGKUPDLNKWSW-OEIHOAGASA-N 2 0 343.515 3.227 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001699346903 1412655500 /nfs/dbraw/zinc/65/55/00/1412655500.db2.gz WJXBMZYQFHTGOR-BQYQJAHWSA-N 2 0 345.531 3.086 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001699431512 1412749332 /nfs/dbraw/zinc/74/93/32/1412749332.db2.gz LZDKYGWBIFAMNA-DLBZAZTESA-N 2 0 345.531 3.235 10 0 EGAERP C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001699461189 1412815332 /nfs/dbraw/zinc/81/53/32/1412815332.db2.gz HJZOTEGBMAPHAR-AOIWGVFYSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699466953 1412836744 /nfs/dbraw/zinc/83/67/44/1412836744.db2.gz GWMQQIXXYFYXMP-INIZCTEOSA-N 2 0 345.531 3.235 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1C ZINC001699553747 1412921002 /nfs/dbraw/zinc/92/10/02/1412921002.db2.gz HQPVVVYHLQGALJ-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCC(C)C ZINC001699608720 1412972506 /nfs/dbraw/zinc/97/25/06/1412972506.db2.gz WSBXUTRQBDSGGI-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCC(C)C ZINC001699608718 1412972679 /nfs/dbraw/zinc/97/26/79/1412972679.db2.gz WSBXUTRQBDSGGI-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001699657063 1413039463 /nfs/dbraw/zinc/03/94/63/1413039463.db2.gz CGUKVOGNRRXQHI-ACBHZAAOSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001699670180 1413059673 /nfs/dbraw/zinc/05/96/73/1413059673.db2.gz HYQUGGQFHSHODN-GOSISDBHSA-N 2 0 343.515 3.170 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC001699672207 1413062538 /nfs/dbraw/zinc/06/25/38/1413062538.db2.gz SPSNXKHFGSUSLW-KRWDZBQOSA-N 2 0 349.906 3.125 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001699672711 1413062843 /nfs/dbraw/zinc/06/28/43/1413062843.db2.gz CUMFFXZNWPMFJI-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC001699676155 1413069654 /nfs/dbraw/zinc/06/96/54/1413069654.db2.gz PKEKQFYGPIPTDJ-INIZCTEOSA-N 2 0 347.478 3.001 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC001699693232 1413100113 /nfs/dbraw/zinc/10/01/13/1413100113.db2.gz SSHDBOPVSOQSLH-QRVBRYPASA-N 2 0 337.552 3.076 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001699732571 1413144404 /nfs/dbraw/zinc/14/44/04/1413144404.db2.gz HFJQFKKGWGDULE-IKSUFZCESA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001699742540 1413153549 /nfs/dbraw/zinc/15/35/49/1413153549.db2.gz HJRJTOACCABYEN-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699751559 1413159174 /nfs/dbraw/zinc/15/91/74/1413159174.db2.gz YTXGDYVQOPQNCW-OXUXSNCKSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001699753388 1413160773 /nfs/dbraw/zinc/16/07/73/1413160773.db2.gz PHQWGZXKQDUBAV-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699767958 1413173091 /nfs/dbraw/zinc/17/30/91/1413173091.db2.gz YTFXTMGHXRUOGZ-KKHYBRAUSA-N 2 0 343.515 3.299 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001699798480 1413208884 /nfs/dbraw/zinc/20/88/84/1413208884.db2.gz CCIXYMLEIUCNEJ-LJQANCHMSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001699804696 1413216877 /nfs/dbraw/zinc/21/68/77/1413216877.db2.gz DEWASMHKROTIRX-BXKJMJEDSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001699828207 1413256182 /nfs/dbraw/zinc/25/61/82/1413256182.db2.gz ZSJLFOPGPKTIBH-HXUWFJFHSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001699876442 1413334912 /nfs/dbraw/zinc/33/49/12/1413334912.db2.gz YATJNBUEISSIIG-RRFGBZISSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699876865 1413336323 /nfs/dbraw/zinc/33/63/23/1413336323.db2.gz LAEDTEMYPMXKRF-YDFHMDALSA-N 2 0 337.552 3.147 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001700011336 1413453260 /nfs/dbraw/zinc/45/32/60/1413453260.db2.gz HIGGCQCSTDWPIS-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001700053375 1413475123 /nfs/dbraw/zinc/47/51/23/1413475123.db2.gz LMQVIBVZHVTMNE-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001700079188 1413492582 /nfs/dbraw/zinc/49/25/82/1413492582.db2.gz FEGYLPJWNPGYOU-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001700142620 1413565018 /nfs/dbraw/zinc/56/50/18/1413565018.db2.gz BPHNUIYGKMXRKG-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CCC1)[NH+]1CCCCC1 ZINC001700142982 1413565872 /nfs/dbraw/zinc/56/58/72/1413565872.db2.gz KSXUCWNNZWXQSY-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001700178251 1413588242 /nfs/dbraw/zinc/58/82/42/1413588242.db2.gz INVAJHFNFWZNHS-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001700179207 1413590356 /nfs/dbraw/zinc/59/03/56/1413590356.db2.gz OJGSENFOUKGXBH-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](C/C=C\c2ccccc2)CC1 ZINC001700183338 1413599334 /nfs/dbraw/zinc/59/93/34/1413599334.db2.gz DLDMIEGCKBMZCM-QRGKHIHXSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001700199716 1413643228 /nfs/dbraw/zinc/64/32/28/1413643228.db2.gz ZCDGSBXLLGXFKA-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC001700221314 1413667616 /nfs/dbraw/zinc/66/76/16/1413667616.db2.gz NJVCEMPVDBUWIV-UHFFFAOYSA-N 2 0 344.503 3.204 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001700229369 1413686385 /nfs/dbraw/zinc/68/63/85/1413686385.db2.gz IYFHZCMKGUXDRC-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001700229501 1413687641 /nfs/dbraw/zinc/68/76/41/1413687641.db2.gz KLTPHKUVPFAMNS-FQEVSTJZSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001700286411 1413733713 /nfs/dbraw/zinc/73/37/13/1413733713.db2.gz RSNPXWHLEYXXDH-LXORQPIJSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001700359292 1413867186 /nfs/dbraw/zinc/86/71/86/1413867186.db2.gz KSZYVMDTKHXRMV-OALUTQOASA-N 2 0 335.536 3.138 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCCC2CCC2)CC1)[NH+](C)C ZINC001700437608 1414006139 /nfs/dbraw/zinc/00/61/39/1414006139.db2.gz KBNRBTVAOMTZFH-ACBHZAAOSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001700437657 1414006314 /nfs/dbraw/zinc/00/63/14/1414006314.db2.gz LXGWYFBQHAFJND-VIQWUECVSA-N 2 0 337.552 3.124 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)C1CCC([NH2+]Cc2ccccc2)CC1 ZINC001700438085 1414007475 /nfs/dbraw/zinc/00/74/75/1414007475.db2.gz VCEDYJVWTHIGIK-UHFFFAOYSA-N 2 0 345.531 3.278 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC1=CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001700448404 1414027520 /nfs/dbraw/zinc/02/75/20/1414027520.db2.gz KZXIGYZWBIKIIA-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001700505868 1414153820 /nfs/dbraw/zinc/15/38/20/1414153820.db2.gz HHZUNZXTYWTKOF-ROUUACIJSA-N 2 0 325.541 3.120 10 0 EGAERP C[C@H](CC(=O)N[C@H]1C[N@H+](CCC(C)(C)C)CC1(C)C)n1ccnc1 ZINC001700577026 1414252003 /nfs/dbraw/zinc/25/20/03/1414252003.db2.gz UZNPMOCQDLTKSS-CVEARBPZSA-N 2 0 334.508 3.097 10 0 EGAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@]2(C)C1 ZINC001700624148 1414296002 /nfs/dbraw/zinc/29/60/02/1414296002.db2.gz SMKHWMUOEXZFBO-BGYRXZFFSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001700677740 1414332309 /nfs/dbraw/zinc/33/23/09/1414332309.db2.gz GTPGDKFHCRSYOL-ZWKOTPCHSA-N 2 0 345.531 3.415 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1 ZINC001700780636 1414463233 /nfs/dbraw/zinc/46/32/33/1414463233.db2.gz OBNYMRKXRCIGGS-MSOLQXFVSA-N 2 0 333.520 3.141 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001700850015 1414498428 /nfs/dbraw/zinc/49/84/28/1414498428.db2.gz BIRCQXQHOZOPCZ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700853569 1414500714 /nfs/dbraw/zinc/50/07/14/1414500714.db2.gz KEVHFRFVDADFMQ-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001700853917 1414501317 /nfs/dbraw/zinc/50/13/17/1414501317.db2.gz OFJVQOMOVMNGGQ-CVEARBPZSA-N 2 0 335.492 3.114 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C)CCC[C@@H]12 ZINC001700862085 1414511157 /nfs/dbraw/zinc/51/11/57/1414511157.db2.gz AEVZAMZNAINAKQ-SFHLNBCPSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001700886675 1414545286 /nfs/dbraw/zinc/54/52/86/1414545286.db2.gz DPBWORIGAKRTFB-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001700914397 1414567452 /nfs/dbraw/zinc/56/74/52/1414567452.db2.gz XKXYAVMVWYVLJL-WOJBJXKFSA-N 2 0 349.563 3.317 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001700995548 1414643167 /nfs/dbraw/zinc/64/31/67/1414643167.db2.gz QZEDLIBTKPMEAP-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)c1ccc(C[N@H+]2CC=C(CNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001701056011 1414711633 /nfs/dbraw/zinc/71/16/33/1414711633.db2.gz RZXYWZJCNVLMBX-UHFFFAOYSA-N 2 0 343.515 3.010 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001732604859 1428858561 /nfs/dbraw/zinc/85/85/61/1428858561.db2.gz GJFSFLROTDVUDY-ZSQQTYLHSA-N 2 0 349.563 3.243 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001732733496 1428934414 /nfs/dbraw/zinc/93/44/14/1428934414.db2.gz MLQNHQZWORCXJY-SFHVURJKSA-N 2 0 345.531 3.020 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732803039 1428982036 /nfs/dbraw/zinc/98/20/36/1428982036.db2.gz UICQEDPDYKXJGA-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001732915388 1429045730 /nfs/dbraw/zinc/04/57/30/1429045730.db2.gz USOCUYFHQZDTRP-PXPVJAHISA-N 2 0 343.515 3.050 10 0 EGAERP CN(C[C@@H]1CC[N@@H+]1CCCC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001707049213 1417161009 /nfs/dbraw/zinc/16/10/09/1417161009.db2.gz XGTWRAFOHKFSEP-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001707069951 1417182553 /nfs/dbraw/zinc/18/25/53/1417182553.db2.gz PXXLJQKELSYYLB-XLAORIBOSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001707173529 1417229013 /nfs/dbraw/zinc/22/90/13/1417229013.db2.gz JTGOECMEJXBHLP-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001707203886 1417243816 /nfs/dbraw/zinc/24/38/16/1417243816.db2.gz NFCZYLMLSTXTTI-UUAOQSGWSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1C/C=C\c1ccccc1 ZINC001707207143 1417245131 /nfs/dbraw/zinc/24/51/31/1417245131.db2.gz ZOUUHZQSQANOOS-KLMKZAPQSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001707234145 1417255067 /nfs/dbraw/zinc/25/50/67/1417255067.db2.gz KHUTXUYTONJLFR-OJBOGMDESA-N 2 0 335.536 3.188 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001707237788 1417258661 /nfs/dbraw/zinc/25/86/61/1417258661.db2.gz NSKJRHRFXNOXAP-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001707374392 1417299838 /nfs/dbraw/zinc/29/98/38/1417299838.db2.gz HUGVDOLMENFAHS-XUVXKRRUSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)c1ccccc1C ZINC001707455192 1417357689 /nfs/dbraw/zinc/35/76/89/1417357689.db2.gz DGFAETUDXBXFOF-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001712950209 1417508606 /nfs/dbraw/zinc/50/86/06/1417508606.db2.gz FWENVHOTCCDBDK-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001712998064 1417550212 /nfs/dbraw/zinc/55/02/12/1417550212.db2.gz CBHOEHBNCSWCIA-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001712998950 1417550778 /nfs/dbraw/zinc/55/07/78/1417550778.db2.gz IPUCONDOUBBGQN-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001713005005 1417559653 /nfs/dbraw/zinc/55/96/53/1417559653.db2.gz ZTGAWVJWTRURFC-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CCCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713102131 1417656330 /nfs/dbraw/zinc/65/63/30/1417656330.db2.gz MYMGJOYMKNUCJT-QZTJIDSGSA-N 2 0 349.563 3.362 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001733056709 1429200811 /nfs/dbraw/zinc/20/08/11/1429200811.db2.gz UOICZQLCPZIRAZ-ZWKOTPCHSA-N 2 0 345.531 3.143 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001713134697 1417712353 /nfs/dbraw/zinc/71/23/53/1417712353.db2.gz SEEAUCZMVKSKAD-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713144417 1417726796 /nfs/dbraw/zinc/72/67/96/1417726796.db2.gz YXZRPHXXPUVXBW-GBESFXJTSA-N 2 0 335.536 3.116 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001713181088 1417755157 /nfs/dbraw/zinc/75/51/57/1417755157.db2.gz DEUOXDOCFATPNW-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001713205526 1417776254 /nfs/dbraw/zinc/77/62/54/1417776254.db2.gz MTSOLFJERSTHPK-KDURUIRLSA-N 2 0 345.531 3.081 10 0 EGAERP CC(C)=CC[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001713259636 1417867343 /nfs/dbraw/zinc/86/73/43/1417867343.db2.gz XNAJLTNYTUECIY-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1)[NH+](CC)CC ZINC001713266406 1417875459 /nfs/dbraw/zinc/87/54/59/1417875459.db2.gz UTEWAQBEPOPNLW-UXHICEINSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713278913 1417903232 /nfs/dbraw/zinc/90/32/32/1417903232.db2.gz JDBOOOUYSWMZCG-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713292547 1417919977 /nfs/dbraw/zinc/91/99/77/1417919977.db2.gz FTXCJGFGTSVRLD-CTWPCTMYSA-N 2 0 335.536 3.090 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713356745 1417973359 /nfs/dbraw/zinc/97/33/59/1417973359.db2.gz KLYOYPLXGRLUDP-DHJFXDNESA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001713373791 1417983895 /nfs/dbraw/zinc/98/38/95/1417983895.db2.gz FVHDNZVXTLXZHA-DLBZAZTESA-N 2 0 337.552 3.314 10 0 EGAERP Cc1cccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001713400045 1418021435 /nfs/dbraw/zinc/02/14/35/1418021435.db2.gz YSYCNZNGEJZEBF-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417351 1418040531 /nfs/dbraw/zinc/04/05/31/1418040531.db2.gz OQHLWCABDUQZID-WHJOBHEISA-N 2 0 341.515 3.040 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001713492975 1418194212 /nfs/dbraw/zinc/19/42/12/1418194212.db2.gz RPQVNUDHVJYVKP-IEBWSBKVSA-N 2 0 345.531 3.144 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713508080 1418232598 /nfs/dbraw/zinc/23/25/98/1418232598.db2.gz BRYHLPLKNFJBCT-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)CC1 ZINC001713517631 1418255230 /nfs/dbraw/zinc/25/52/30/1418255230.db2.gz NOFDQWZSSHVZSM-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001713644750 1418409428 /nfs/dbraw/zinc/40/94/28/1418409428.db2.gz OTNFETRXRLDJSQ-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713683996 1418437140 /nfs/dbraw/zinc/43/71/40/1418437140.db2.gz GNYUAGXMNSHGBP-ROUUACIJSA-N 2 0 345.531 3.305 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001713705436 1418465483 /nfs/dbraw/zinc/46/54/83/1418465483.db2.gz YSIFZVBRFLLNDO-ICSRJNTNSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001713750730 1418551866 /nfs/dbraw/zinc/55/18/66/1418551866.db2.gz FRSJVOXVFJGLAH-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713785191 1418601796 /nfs/dbraw/zinc/60/17/96/1418601796.db2.gz MQZRBOCTAJLFSS-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804928 1418617796 /nfs/dbraw/zinc/61/77/96/1418617796.db2.gz UENRHNCUKVTCMU-DSQZMVHQSA-N 2 0 335.536 3.044 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001713858815 1418655614 /nfs/dbraw/zinc/65/56/14/1418655614.db2.gz SGKVIURFZBSSPV-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713994610 1418772802 /nfs/dbraw/zinc/77/28/02/1418772802.db2.gz ZWQGURBRMWBPAU-CALCHBBNSA-N 2 0 337.552 3.312 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001714007344 1418786345 /nfs/dbraw/zinc/78/63/45/1418786345.db2.gz JVMICGKOMFAVCO-NSHGMRRFSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001714043782 1418835465 /nfs/dbraw/zinc/83/54/65/1418835465.db2.gz ZAZZVAPWKJHATP-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP CCc1cccc(C[N@H+]2CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001714054147 1418852805 /nfs/dbraw/zinc/85/28/05/1418852805.db2.gz TTZXBPLOVWPEFS-FQEVSTJZSA-N 2 0 345.531 3.012 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001714116511 1418919512 /nfs/dbraw/zinc/91/95/12/1418919512.db2.gz NMYFUQOXCDDBNC-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001714117448 1418921176 /nfs/dbraw/zinc/92/11/76/1418921176.db2.gz WXDIJWWTRDUNIA-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCC2)c1 ZINC001714152677 1418959658 /nfs/dbraw/zinc/95/96/58/1418959658.db2.gz YGAQQMDLIOQORM-SFHVURJKSA-N 2 0 345.531 3.415 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714155723 1418965928 /nfs/dbraw/zinc/96/59/28/1418965928.db2.gz JURSPJOMXWEKDH-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001714167437 1418976399 /nfs/dbraw/zinc/97/63/99/1418976399.db2.gz SAJNQZWPHBOEGE-HXUWFJFHSA-N 2 0 340.471 3.097 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001714173411 1418981362 /nfs/dbraw/zinc/98/13/62/1418981362.db2.gz ASCSVXUXBSRHNO-OXQOHEQNSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)cc1C ZINC001714179096 1418987308 /nfs/dbraw/zinc/98/73/08/1418987308.db2.gz YRRXHXMHXWQCHA-NRFANRHFSA-N 2 0 345.531 3.018 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001714193290 1418999276 /nfs/dbraw/zinc/99/92/76/1418999276.db2.gz QVAUQXIQJFLWMS-LMDPOFIKSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)CCC1 ZINC001714210306 1419010361 /nfs/dbraw/zinc/01/03/61/1419010361.db2.gz LUVOTNRPTYYBRP-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001714277316 1419057180 /nfs/dbraw/zinc/05/71/80/1419057180.db2.gz VHYLPPNCSBMLBG-YZKSSJSGSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCCC(C)C ZINC001733202922 1429308256 /nfs/dbraw/zinc/30/82/56/1429308256.db2.gz TXLJEVZLNBHLFD-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001714368071 1419127597 /nfs/dbraw/zinc/12/75/97/1419127597.db2.gz WNPUSUZPAFTYCF-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714414040 1419152157 /nfs/dbraw/zinc/15/21/57/1419152157.db2.gz ZIBLYOHJCDOMGH-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001714455162 1419187682 /nfs/dbraw/zinc/18/76/82/1419187682.db2.gz VJMGHRMNJMPYFC-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(C[NH+](CC3CCC(C)(C)CC3)C2)CC1 ZINC001714523121 1419249223 /nfs/dbraw/zinc/24/92/23/1419249223.db2.gz FJLLHRQFCJOUQC-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC2 ZINC001714523286 1419249257 /nfs/dbraw/zinc/24/92/57/1419249257.db2.gz IRKQRWQPXNRQJD-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001714613455 1419373863 /nfs/dbraw/zinc/37/38/63/1419373863.db2.gz NZOCWIAGGNPIBW-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001714616235 1419378760 /nfs/dbraw/zinc/37/87/60/1419378760.db2.gz ANZUPVOFRPDQJA-RTBURBONSA-N 2 0 345.531 3.369 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714632203 1419403636 /nfs/dbraw/zinc/40/36/36/1419403636.db2.gz GNCCHRJHSRIZLP-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCC1 ZINC001714676198 1419468836 /nfs/dbraw/zinc/46/88/36/1419468836.db2.gz KWOJORPOUCMGPM-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714754475 1419495054 /nfs/dbraw/zinc/49/50/54/1419495054.db2.gz YFZUSIQDQWMQRJ-QFBILLFUSA-N 2 0 343.531 3.216 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001714857530 1419575331 /nfs/dbraw/zinc/57/53/31/1419575331.db2.gz XITPSKUEQCHWCN-CEXWTWQISA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714859645 1419580255 /nfs/dbraw/zinc/58/02/55/1419580255.db2.gz IRCNZEZLDKXGJB-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001714915137 1419664731 /nfs/dbraw/zinc/66/47/31/1419664731.db2.gz ZCNAAQBPEUFOAK-HCZHMGAMSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001714921856 1419674319 /nfs/dbraw/zinc/67/43/19/1419674319.db2.gz XZUZHIAMWBLEDD-ASIGSXEYSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001714942535 1419687381 /nfs/dbraw/zinc/68/73/81/1419687381.db2.gz BGZYJKBJEJGYEA-LJQANCHMSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001715062185 1419800590 /nfs/dbraw/zinc/80/05/90/1419800590.db2.gz FIQUGWYFCUFYRP-HKUYNNGSSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001715065129 1419802645 /nfs/dbraw/zinc/80/26/45/1419802645.db2.gz SZHJXGHOLIJPRP-UYAOXDASSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCC(C)(C)C ZINC001715066241 1419803156 /nfs/dbraw/zinc/80/31/56/1419803156.db2.gz FNIWRKAGKNXGCG-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001715069015 1419804388 /nfs/dbraw/zinc/80/43/88/1419804388.db2.gz COAKMWJSHQXIQW-DAWZGUTISA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715151798 1419896285 /nfs/dbraw/zinc/89/62/85/1419896285.db2.gz DVWFLZQRCOLSNK-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715154037 1419897558 /nfs/dbraw/zinc/89/75/58/1419897558.db2.gz MRFNKPWRIIHETM-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3=CCCCC3)CC2)CCC1 ZINC001715184023 1419916985 /nfs/dbraw/zinc/91/69/85/1419916985.db2.gz RIXAAFKMLLWQAP-WGSAOQKQSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2cccc(F)c2)CC1 ZINC001715191423 1419923498 /nfs/dbraw/zinc/92/34/98/1419923498.db2.gz OGJALTHEPCFBNC-ATZDWAIDSA-N 2 0 349.494 3.244 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001715202669 1419936135 /nfs/dbraw/zinc/93/61/35/1419936135.db2.gz XRBAKAGTUQSKSR-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715211271 1419944196 /nfs/dbraw/zinc/94/41/96/1419944196.db2.gz SGHCKIAWIHRIRZ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001715213783 1419945462 /nfs/dbraw/zinc/94/54/62/1419945462.db2.gz OBOZPGCIGJJKIE-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715215892 1419948006 /nfs/dbraw/zinc/94/80/06/1419948006.db2.gz UYXZNRQCPVYTFR-OJBOGMDESA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001715223626 1419957198 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1420805615 /nfs/dbraw/zinc/80/56/15/1420805615.db2.gz BAZDPFDCOKMQGS-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001716712464 1420864990 /nfs/dbraw/zinc/86/49/90/1420864990.db2.gz LVPNIBQEBNEMKU-AQNXPRMDSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001716821755 1420948094 /nfs/dbraw/zinc/94/80/94/1420948094.db2.gz WRKIUADPUWCFCV-YLJYHZDGSA-N 2 0 345.531 3.272 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001716889059 1421013026 /nfs/dbraw/zinc/01/30/26/1421013026.db2.gz VNBQRVWLTFWBIL-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCC3CC3)C2)C1 ZINC001716897840 1421026372 /nfs/dbraw/zinc/02/63/72/1421026372.db2.gz KFWZBALDTWBYPI-FPOVZHCZSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001717035109 1421088397 /nfs/dbraw/zinc/08/83/97/1421088397.db2.gz GHBSKRKPRZDFOM-ROUUACIJSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717112746 1421116497 /nfs/dbraw/zinc/11/64/97/1421116497.db2.gz NHBLECAGCGKSGV-FQEVSTJZSA-N 2 0 345.531 3.263 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001717130134 1421131010 /nfs/dbraw/zinc/13/10/10/1421131010.db2.gz LKRLUHFYSHFKJQ-SFFCAUCYSA-N 2 0 347.547 3.142 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001717152469 1421143187 /nfs/dbraw/zinc/14/31/87/1421143187.db2.gz CQIIRSVDNDXISU-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H]2CCC[NH+](CCCC(C)C)CC2)CC[N@@H+]1C ZINC001717195975 1421162482 /nfs/dbraw/zinc/16/24/82/1421162482.db2.gz SUVKPPSQNJGVGF-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717197794 1421164364 /nfs/dbraw/zinc/16/43/64/1421164364.db2.gz FSUFUCFEAPEANH-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001717201381 1421169303 /nfs/dbraw/zinc/16/93/03/1421169303.db2.gz AVUKHUHJQFWXON-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001717278107 1421231425 /nfs/dbraw/zinc/23/14/25/1421231425.db2.gz GDACOGYNAVZZPH-AWTIPJNISA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001733762177 1429978013 /nfs/dbraw/zinc/97/80/13/1429978013.db2.gz HWBBPAARFVDRSE-CXLTZZKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CC(C)C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001717357262 1421292837 /nfs/dbraw/zinc/29/28/37/1421292837.db2.gz FORCMTKRNGSVFG-QZTJIDSGSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001717422375 1421352082 /nfs/dbraw/zinc/35/20/82/1421352082.db2.gz FPZPEDOWJSGTOF-MSOLQXFVSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001717433367 1421361607 /nfs/dbraw/zinc/36/16/07/1421361607.db2.gz SLJKNEAHZJOPAS-MSOLQXFVSA-N 2 0 349.563 3.480 10 0 EGAERP Cc1c(C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl)ccc2c[nH+]cn21 ZINC001717454532 1421383994 /nfs/dbraw/zinc/38/39/94/1421383994.db2.gz FQGSVZAENWSCIC-VMPITWQZSA-N 2 0 348.878 3.083 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717530611 1421467246 /nfs/dbraw/zinc/46/72/46/1421467246.db2.gz TUEGWUVAPNPYES-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001717540330 1421480655 /nfs/dbraw/zinc/48/06/55/1421480655.db2.gz NNANYAOTWMXPGB-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCCCCC2)C1 ZINC001717551693 1421489632 /nfs/dbraw/zinc/48/96/32/1421489632.db2.gz XZLIHRSQAQIAPJ-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001717582946 1421508806 /nfs/dbraw/zinc/50/88/06/1421508806.db2.gz SXARHOCTCBNWLI-KNJKRIMISA-N 2 0 337.552 3.146 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[NH+](CCC2CC2)CC1(C)C)C1CCCCC1 ZINC001717583866 1421510094 /nfs/dbraw/zinc/51/00/94/1421510094.db2.gz MIYZPXIFKHBQBN-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001717628479 1421536900 /nfs/dbraw/zinc/53/69/00/1421536900.db2.gz WTSBSJZVGIIBJK-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668048 1421558494 /nfs/dbraw/zinc/55/84/94/1421558494.db2.gz RZBYASZCYLXEDA-PKOBYXMFSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001717686674 1421566198 /nfs/dbraw/zinc/56/61/98/1421566198.db2.gz HLXMTBTWPZLSGO-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695335 1421569665 /nfs/dbraw/zinc/56/96/65/1421569665.db2.gz FOHRALSDRDFOEL-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696515 1421570583 /nfs/dbraw/zinc/57/05/83/1421570583.db2.gz VLJPVAAQIFMUMI-AZUAARDMSA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001717839308 1421653718 /nfs/dbraw/zinc/65/37/18/1421653718.db2.gz FYOYCZWHVINNNU-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001717839956 1421654639 /nfs/dbraw/zinc/65/46/39/1421654639.db2.gz DZKOFZLGRAVBJI-NQIIRXRSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001717840995 1421656051 /nfs/dbraw/zinc/65/60/51/1421656051.db2.gz MSFGVNGLWUOHEC-BJLQDIEVSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCC1CCCCC1 ZINC001717858206 1421670659 /nfs/dbraw/zinc/67/06/59/1421670659.db2.gz QEUGWTHADANWJZ-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001717875671 1421682500 /nfs/dbraw/zinc/68/25/00/1421682500.db2.gz TXMPGCNNWSUULF-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C)[NH+](C)C ZINC001717970801 1421742939 /nfs/dbraw/zinc/74/29/39/1421742939.db2.gz BQOCHNTUVPHIJW-SJORKVTESA-N 2 0 337.552 3.027 10 0 EGAERP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717984244 1421756721 /nfs/dbraw/zinc/75/67/21/1421756721.db2.gz VPSGPOUOPGTWSR-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC=C(CNC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001718028716 1421782148 /nfs/dbraw/zinc/78/21/48/1421782148.db2.gz SUMIQEUMCQQKTJ-UXHICEINSA-N 2 0 343.515 3.226 10 0 EGAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001718032051 1421784056 /nfs/dbraw/zinc/78/40/56/1421784056.db2.gz HJYXAXSAYATSDT-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH+](CCCC(C)C)CC1 ZINC001718033514 1421785535 /nfs/dbraw/zinc/78/55/35/1421785535.db2.gz MLIUEYOVVMYWTD-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733452621 1429665873 /nfs/dbraw/zinc/66/58/73/1429665873.db2.gz LEPDIHUDSRPMDF-RBUKOAKNSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001733462996 1429690568 /nfs/dbraw/zinc/69/05/68/1429690568.db2.gz YYZAHSGOPIDJSK-ICSRJNTNSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001722954710 1424276493 /nfs/dbraw/zinc/27/64/93/1424276493.db2.gz OAJGGGZBNDUCNG-SJORKVTESA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@@H](C(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1)[NH+](CC)CC ZINC001723558627 1424464314 /nfs/dbraw/zinc/46/43/14/1424464314.db2.gz QBXDKJAMDVDAIE-OALUTQOASA-N 2 0 343.515 3.033 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)C1CCCCCC1 ZINC001723640841 1424507420 /nfs/dbraw/zinc/50/74/20/1424507420.db2.gz SRETZTWYTTXQAT-QZTJIDSGSA-N 2 0 337.552 3.410 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001723698844 1424535799 /nfs/dbraw/zinc/53/57/99/1424535799.db2.gz WAARLHUZGVZZNC-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C(=O)N(C)C1C[NH+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001723794177 1424567626 /nfs/dbraw/zinc/56/76/26/1424567626.db2.gz BKFWYJODNDCIGY-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733530566 1429737269 /nfs/dbraw/zinc/73/72/69/1429737269.db2.gz AUYFQNTVMXHCOS-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)cc1 ZINC001723862361 1424591034 /nfs/dbraw/zinc/59/10/34/1424591034.db2.gz SLGLAGWMYOWXCS-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1)[NH+]1CCCC1 ZINC001723981592 1424616925 /nfs/dbraw/zinc/61/69/25/1424616925.db2.gz IEQBAQJXLSWDEY-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001723982396 1424617885 /nfs/dbraw/zinc/61/78/85/1424617885.db2.gz XPMJUFKTLJCYDT-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724213615 1424736249 /nfs/dbraw/zinc/73/62/49/1424736249.db2.gz HWXYXISJAFMEAV-AQIYZVDXSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001724313814 1424797513 /nfs/dbraw/zinc/79/75/13/1424797513.db2.gz PPHTWZWTNCJTOB-CWHLKURSSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001724532033 1424896423 /nfs/dbraw/zinc/89/64/23/1424896423.db2.gz MYBDZYLLXOPAKK-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C(C)=C\C(=O)NCCN1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001724628378 1424983472 /nfs/dbraw/zinc/98/34/72/1424983472.db2.gz DHNKJHYPPNEERJ-ICFOKQHNSA-N 2 0 343.515 3.022 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001733567027 1429769245 /nfs/dbraw/zinc/76/92/45/1429769245.db2.gz ZGKZZRGUMDFJEX-BJLQDIEVSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001724710049 1425065716 /nfs/dbraw/zinc/06/57/16/1425065716.db2.gz XVNYFSMFMKDEBO-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001724747336 1425117032 /nfs/dbraw/zinc/11/70/32/1425117032.db2.gz PAGSFTJFQBGWBI-QGZVFWFLSA-N 2 0 343.515 3.239 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724752843 1425123168 /nfs/dbraw/zinc/12/31/68/1425123168.db2.gz VMMXUKPEOMIZDJ-BJLQDIEVSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001724753127 1425123775 /nfs/dbraw/zinc/12/37/75/1425123775.db2.gz YFVKBZXTZNEWDM-OALUTQOASA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001724759519 1425130546 /nfs/dbraw/zinc/13/05/46/1425130546.db2.gz JRNFFINQTLZZOI-WAYWQWQTSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001724798154 1425166596 /nfs/dbraw/zinc/16/65/96/1425166596.db2.gz UULWJLVSJPNGFE-BZSNNMDCSA-N 2 0 337.552 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001724836679 1425184827 /nfs/dbraw/zinc/18/48/27/1425184827.db2.gz IJDLHSFWTAFMAI-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001724886910 1425271815 /nfs/dbraw/zinc/27/18/15/1425271815.db2.gz OROSNTPNBJGFEM-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001724946535 1425331454 /nfs/dbraw/zinc/33/14/54/1425331454.db2.gz MQVQUMHHSBEWRC-FXAWDEMLSA-N 2 0 345.531 3.088 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)C1 ZINC001724980249 1425380956 /nfs/dbraw/zinc/38/09/56/1425380956.db2.gz SDXXXCBSAVPPTQ-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001725002404 1425412365 /nfs/dbraw/zinc/41/23/65/1425412365.db2.gz LFPVLTZJUSROAA-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1c2ccccc2CC[NH+]1CCC(C)C ZINC001725013307 1425431561 /nfs/dbraw/zinc/43/15/61/1425431561.db2.gz NPQVYXUVCFCTSI-HXUWFJFHSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C1CC1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001725094458 1425537532 /nfs/dbraw/zinc/53/75/32/1425537532.db2.gz PDEFTGXFWRJKRE-CVEARBPZSA-N 2 0 343.515 3.031 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001725131153 1425600547 /nfs/dbraw/zinc/60/05/47/1425600547.db2.gz QCSDAFCTYMUFLT-GMKYLDQASA-N 2 0 335.536 3.042 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCCC1 ZINC001725174317 1425686963 /nfs/dbraw/zinc/68/69/63/1425686963.db2.gz QKPIGICWXQCNQT-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCCC2CCC2)C1 ZINC001725241321 1425847373 /nfs/dbraw/zinc/84/73/73/1425847373.db2.gz OMQBBZCAXIJSHA-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247369 1425866567 /nfs/dbraw/zinc/86/65/67/1425866567.db2.gz IMUFGYQUHDZQRW-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725293185 1425940008 /nfs/dbraw/zinc/94/00/08/1425940008.db2.gz XTRWZHFBFKJRQM-JTHGQSKGSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001725341555 1425991872 /nfs/dbraw/zinc/99/18/72/1425991872.db2.gz HDAZNGMGGWUTHE-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725455099 1426121286 /nfs/dbraw/zinc/12/12/86/1426121286.db2.gz MROGFNWRHHSMNT-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471842 1426143310 /nfs/dbraw/zinc/14/33/10/1426143310.db2.gz JWVICTSVZQFUEV-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CCCC(C)(C)C ZINC001725519178 1426210814 /nfs/dbraw/zinc/21/08/14/1426210814.db2.gz BCUHMQTZVQCTLO-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001725606923 1426263541 /nfs/dbraw/zinc/26/35/41/1426263541.db2.gz BANVSMGHZOQXBC-ZJOUEHCJSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001725609066 1426266916 /nfs/dbraw/zinc/26/69/16/1426266916.db2.gz GEIOYQZVZPZKHA-LDAUWSKPSA-N 2 0 347.547 3.186 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@H]21 ZINC001725623345 1426289209 /nfs/dbraw/zinc/28/92/09/1426289209.db2.gz HKDWYURBTQGDRD-KNPSKYOESA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001725644733 1426326567 /nfs/dbraw/zinc/32/65/67/1426326567.db2.gz YPBTZZVMHVKHFB-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C(C)(C)C1 ZINC001725678004 1426365099 /nfs/dbraw/zinc/36/50/99/1426365099.db2.gz OUGXBSOPNUTEGF-IEBWSBKVSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@H]([NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001725680808 1426368949 /nfs/dbraw/zinc/36/89/49/1426368949.db2.gz WPAMKSRPUNATCU-HKUYNNGSSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)Cc1ccc(C)cc1)C(C)C)[NH+](C)C ZINC001725729020 1426396303 /nfs/dbraw/zinc/39/63/03/1426396303.db2.gz XYHSYWNILUNZLC-LJQANCHMSA-N 2 0 333.520 3.004 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC1CCCC1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001725729313 1426396718 /nfs/dbraw/zinc/39/67/18/1426396718.db2.gz VLPONGQZLKPSAL-IEBWSBKVSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)N(CC[N@@H+](C)CC[C@@H](C)F)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725734398 1426407829 /nfs/dbraw/zinc/40/78/29/1426407829.db2.gz YYZLGQPAYZTFKX-QZTJIDSGSA-N 2 0 343.531 3.168 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)C1CCC1 ZINC001725736587 1426411057 /nfs/dbraw/zinc/41/10/57/1426411057.db2.gz CWQHWDMAOFBEEO-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001725756443 1426435706 /nfs/dbraw/zinc/43/57/06/1426435706.db2.gz JTQOYHBEVITCCA-XDIYQJDNSA-N 2 0 337.552 3.338 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001725763380 1426445080 /nfs/dbraw/zinc/44/50/80/1426445080.db2.gz TYRDJQCNBFPTHW-WYTZPYIFSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001725764310 1426446472 /nfs/dbraw/zinc/44/64/72/1426446472.db2.gz SZVBQDLQQNDAOE-GOSISDBHSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001725771251 1426455567 /nfs/dbraw/zinc/45/55/67/1426455567.db2.gz LDDIMGJIIFJGPF-PXNSSMCTSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001725789403 1426475101 /nfs/dbraw/zinc/47/51/01/1426475101.db2.gz HVCSEAFOLVCKIZ-CTWPCTMYSA-N 2 0 335.536 3.042 10 0 EGAERP CCCCCC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@H](C)C3)CC2)CC1 ZINC001725793251 1426478577 /nfs/dbraw/zinc/47/85/77/1426478577.db2.gz CFKKRUIXBPSMEG-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830483 1426508930 /nfs/dbraw/zinc/50/89/30/1426508930.db2.gz RONPJHLZZKGJBQ-FQEVSTJZSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001725830561 1426509327 /nfs/dbraw/zinc/50/93/27/1426509327.db2.gz UAVKLARYNDLXOJ-FQEVSTJZSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001731262213 1427210253 /nfs/dbraw/zinc/21/02/53/1427210253.db2.gz GBJTYVJWHDXMHH-NSHGMRRFSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731318046 1427258745 /nfs/dbraw/zinc/25/87/45/1427258745.db2.gz XJKZRQMGCVIDER-IAGOWNOFSA-N 2 0 349.494 3.057 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001731363822 1427297734 /nfs/dbraw/zinc/29/77/34/1427297734.db2.gz OTCYWGIMWWHEDS-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731427671 1427408678 /nfs/dbraw/zinc/40/86/78/1427408678.db2.gz VPJRFRYFDKJXTR-IWHMKIPHSA-N 2 0 347.547 3.138 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001731445704 1427423155 /nfs/dbraw/zinc/42/31/55/1427423155.db2.gz XDCCXMLXCUELQP-FHWLQOOXSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H]2CCc3ccccc32)C1)[NH+](CC)CC ZINC001731486818 1427461086 /nfs/dbraw/zinc/46/10/86/1427461086.db2.gz WSZANBWXUOBOMI-BWPNAZKDSA-N 2 0 343.515 3.031 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001731489540 1427464071 /nfs/dbraw/zinc/46/40/71/1427464071.db2.gz LBWNQEWXMZTJSC-QRQLOZEOSA-N 2 0 331.504 3.025 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001731544551 1427560998 /nfs/dbraw/zinc/56/09/98/1427560998.db2.gz WFFCNFYARQTHPK-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC=C(C)C ZINC001731552174 1427573726 /nfs/dbraw/zinc/57/37/26/1427573726.db2.gz RCNPTZLWBGOFTN-RTBURBONSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001731571483 1427613021 /nfs/dbraw/zinc/61/30/21/1427613021.db2.gz ICEOOWKZMCLUHL-ACBHZAAOSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001731639314 1427697286 /nfs/dbraw/zinc/69/72/86/1427697286.db2.gz FWMCNRJEGFTTLF-JXFKEZNVSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001731661530 1427713297 /nfs/dbraw/zinc/71/32/97/1427713297.db2.gz DLYAATUCWZBRGI-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001731704665 1427757610 /nfs/dbraw/zinc/75/76/10/1427757610.db2.gz UJOSOBLBBTUNPW-UXHICEINSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001731738208 1427821629 /nfs/dbraw/zinc/82/16/29/1427821629.db2.gz QLUWIZIWAQKPFP-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001731750343 1427844738 /nfs/dbraw/zinc/84/47/38/1427844738.db2.gz GWNLICYGORYQCV-MJGOQNOKSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001731754887 1427853530 /nfs/dbraw/zinc/85/35/30/1427853530.db2.gz DVUZSVRBAIGESE-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001731882279 1428153507 /nfs/dbraw/zinc/15/35/07/1428153507.db2.gz JEELQGOYCMYSFY-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC/C=C\c1ccccc1 ZINC001731985778 1428197120 /nfs/dbraw/zinc/19/71/20/1428197120.db2.gz DNGZMOMZEOGESG-OFIWPEFUSA-N 2 0 343.515 3.011 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)CC)cccc2C1 ZINC001733708400 1429921745 /nfs/dbraw/zinc/92/17/45/1429921745.db2.gz CSOIKPFJTRJZQZ-KRWDZBQOSA-N 2 0 345.531 3.049 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001733771684 1430005619 /nfs/dbraw/zinc/00/56/19/1430005619.db2.gz YBXUURVDHYCOJV-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001733779285 1430036252 /nfs/dbraw/zinc/03/62/52/1430036252.db2.gz MOOGXOVPKQTVHG-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001733779962 1430039542 /nfs/dbraw/zinc/03/95/42/1430039542.db2.gz ZXGTZXXREKLOFY-RTBURBONSA-N 2 0 349.563 3.220 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001733804639 1430073793 /nfs/dbraw/zinc/07/37/93/1430073793.db2.gz DRWJAYWBWVYILJ-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001733813891 1430093855 /nfs/dbraw/zinc/09/38/55/1430093855.db2.gz RSILPLIVSMPPJB-NRFANRHFSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001733867975 1437695010 /nfs/dbraw/zinc/69/50/10/1437695010.db2.gz SJCMSQOLAPQBQD-IBGZPJMESA-N 2 0 345.531 3.278 10 0 EGAERP CC[N@H+](CCC1CC1)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001733920132 1437733631 /nfs/dbraw/zinc/73/36/31/1437733631.db2.gz WLUCPPGPMPAWFH-PXNSSMCTSA-N 2 0 349.563 3.077 10 0 EGAERP Cc1c(C(=O)N2CCC[C@H]2C[N@@H+](C)CCC(C)C)ccc2c[nH+]cn21 ZINC001733932626 1437745751 /nfs/dbraw/zinc/74/57/51/1437745751.db2.gz PVKHFYPTMHEHSD-SFHVURJKSA-N 2 0 342.487 3.225 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001733942528 1437758564 /nfs/dbraw/zinc/75/85/64/1437758564.db2.gz YLDAFINDKWBKOQ-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001734034229 1437822282 /nfs/dbraw/zinc/82/22/82/1437822282.db2.gz ICQCELFABLALJU-PKOBYXMFSA-N 2 0 349.563 3.266 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001734089371 1437874166 /nfs/dbraw/zinc/87/41/66/1437874166.db2.gz ZZGQSQSHCRBLDG-PWBPZBFBSA-N 2 0 349.563 3.482 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001734099198 1437883315 /nfs/dbraw/zinc/88/33/15/1437883315.db2.gz HTOWVKZDXOXLFQ-GBESFXJTSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CCCC1CCC1 ZINC001734107317 1437894071 /nfs/dbraw/zinc/89/40/71/1437894071.db2.gz VMNHAEFFTZQDSB-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001734150252 1437917864 /nfs/dbraw/zinc/91/78/64/1437917864.db2.gz QQGVTHQITFKUNH-MJGOQNOKSA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC3CCCC3)C[C@H]2C1 ZINC001734194668 1437935493 /nfs/dbraw/zinc/93/54/93/1437935493.db2.gz UENFPZDYPYWNER-XUVXKRRUSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001734237843 1437953725 /nfs/dbraw/zinc/95/37/25/1437953725.db2.gz PWRITPTWFMVLJF-YSIASYRMSA-N 2 0 345.531 3.100 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001734308200 1438040092 /nfs/dbraw/zinc/04/00/92/1438040092.db2.gz HJCFQKUWBWRJEW-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001734350911 1438068991 /nfs/dbraw/zinc/06/89/91/1438068991.db2.gz LFDTXPFCXMXRMG-PKOBYXMFSA-N 2 0 345.531 3.088 10 0 EGAERP CCc1cccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001734426634 1438091944 /nfs/dbraw/zinc/09/19/44/1438091944.db2.gz MBNNLBOGZGQYCF-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC/C=C\c2ccccc2)C[C@@H]1C ZINC001734427067 1438092380 /nfs/dbraw/zinc/09/23/80/1438092380.db2.gz OBYVZXVEMOKMST-TYLQSNEBSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c1 ZINC001734456890 1438114623 /nfs/dbraw/zinc/11/46/23/1438114623.db2.gz JEIWZYVNOMPFSA-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001734547475 1438143236 /nfs/dbraw/zinc/14/32/36/1438143236.db2.gz KTEQVDVQHVUDGS-ZWKOTPCHSA-N 2 0 325.541 3.074 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001734572341 1438166159 /nfs/dbraw/zinc/16/61/59/1438166159.db2.gz YNRPXSQOUIFATL-VHOZVPPSSA-N 2 0 337.552 3.194 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC001734575106 1438168571 /nfs/dbraw/zinc/16/85/71/1438168571.db2.gz GMMLPTWVMLQWTB-QHSLDKKCSA-N 2 0 345.531 3.161 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001734600302 1438182717 /nfs/dbraw/zinc/18/27/17/1438182717.db2.gz SQSVXNCVHYCTTM-HDYDNRTBSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001734630665 1438193362 /nfs/dbraw/zinc/19/33/62/1438193362.db2.gz CNQWBUSGLFLCPT-HBFSDRIKSA-N 2 0 349.563 3.147 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001734639777 1438198264 /nfs/dbraw/zinc/19/82/64/1438198264.db2.gz CVEKRDSJJNTJQD-AEFFLSMTSA-N 2 0 349.494 3.062 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001750935920 1440115102 /nfs/dbraw/zinc/11/51/02/1440115102.db2.gz GVUBZIBWWHPCJF-FNYRVFDFSA-N 2 0 335.536 3.140 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000171746299 529865846 /nfs/dbraw/zinc/86/58/46/529865846.db2.gz OWAYXHIPBGSYPJ-LEWJYISDSA-N 2 0 328.500 3.473 10 0 EGAERP CC[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCC[NH+](C)C ZINC000104199364 219359278 /nfs/dbraw/zinc/35/92/78/219359278.db2.gz BGQHIINEBBFIED-OCCSQVGLSA-N 2 0 348.354 3.173 10 0 EGAERP CN(Cc1cc(F)ccc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747092 213382380 /nfs/dbraw/zinc/38/23/80/213382380.db2.gz VLSOEAJFNFQECE-PBWFPOADSA-N 2 0 327.241 3.303 10 0 EGAERP Cc1cccc(CCC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c1 ZINC000181104450 234087041 /nfs/dbraw/zinc/08/70/41/234087041.db2.gz SJGLSGRRIKMXMH-NRFANRHFSA-N 2 0 329.532 3.030 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCS1 ZINC000131377862 223227372 /nfs/dbraw/zinc/22/73/72/223227372.db2.gz KSFPVKJRYKPXLA-INIZCTEOSA-N 2 0 333.545 3.154 10 0 EGAERP CC[N@@H+]1CC[C@@H](CNCc2c(F)ccc(Br)c2F)C1 ZINC000230306868 242257636 /nfs/dbraw/zinc/25/76/36/242257636.db2.gz ZEAQXKUBBMSYAZ-JTQLQIEISA-N 2 0 333.220 3.159 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000242191262 243011526 /nfs/dbraw/zinc/01/15/26/243011526.db2.gz XEDNBZSHQADMMQ-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP C[C@H](CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377714110 169067663 /nfs/dbraw/zinc/06/76/63/169067663.db2.gz FAGZDKFYSZZYCB-VMSMKEMKSA-N 2 0 341.543 3.423 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000268834065 252283625 /nfs/dbraw/zinc/28/36/25/252283625.db2.gz LGMWCZCUIBLQND-IERDGZPVSA-N 2 0 342.458 3.318 10 0 EGAERP Cc1nccc(N2CC[NH+](C[C@@H](C)c3cccc(Cl)c3)CC2)n1 ZINC000351592604 144284712 /nfs/dbraw/zinc/28/47/12/144284712.db2.gz KPNKEISAZGXUBV-CQSZACIVSA-N 2 0 330.863 3.364 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000119643241 152220039 /nfs/dbraw/zinc/22/00/39/152220039.db2.gz FSMMJXVUKANEPG-WCRBZPEASA-N 2 0 327.516 3.046 10 0 EGAERP c1sc(-c2ccccn2)nc1CN1CC[C@@H](Oc2ccncc2)C1 ZINC000120201090 152257854 /nfs/dbraw/zinc/25/78/54/152257854.db2.gz DHQKGLVJXVALFE-MRXNPFEDSA-N 2 0 338.436 3.253 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341557340 155351438 /nfs/dbraw/zinc/35/14/38/155351438.db2.gz DFDZJNHFYSOAFG-ROUUACIJSA-N 2 0 349.544 3.002 10 0 EGAERP CCCn1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310280870 154143092 /nfs/dbraw/zinc/14/30/92/154143092.db2.gz WKKFEZBHTQYPMM-XLIONFOSSA-N 2 0 326.488 3.293 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C)c(C)o3)cn2)CC1 ZINC000337390653 154328286 /nfs/dbraw/zinc/32/82/86/154328286.db2.gz KTPPBMZKOBCHGG-INIZCTEOSA-N 2 0 342.487 3.284 10 0 EGAERP CC[NH+](CC)CCSCC(=O)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC000368827035 157299236 /nfs/dbraw/zinc/29/92/36/157299236.db2.gz UPEUBBUPPJDOPN-UHFFFAOYSA-N 2 0 347.528 3.178 10 0 EGAERP C[N@H+](CCOc1ccc(Cl)cc1Br)CC(C)(C)C[NH3+] ZINC000093873996 162032423 /nfs/dbraw/zinc/03/24/23/162032423.db2.gz OLMSOFAMNPXDQN-UHFFFAOYSA-N 2 0 349.700 3.398 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](Cc2cnc(OC)nc2C)CC1 ZINC000337208422 163163380 /nfs/dbraw/zinc/16/33/80/163163380.db2.gz QOLHDSVRADKCID-UHFFFAOYSA-N 2 0 334.508 3.128 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000355598385 166256505 /nfs/dbraw/zinc/25/65/05/166256505.db2.gz JGZJVKUIFPJWBU-ZHALLVOQSA-N 2 0 348.535 3.016 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](Cc2cc(C)nc3ccccc23)CC1 ZINC000355650385 166272244 /nfs/dbraw/zinc/27/22/44/166272244.db2.gz NIDVOIDHCDZIOK-UHFFFAOYSA-N 2 0 348.450 3.269 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](Cc2ccc3nc(C)ccc3c2)CC1 ZINC000355659343 166276028 /nfs/dbraw/zinc/27/60/28/166276028.db2.gz YLEOEOSMFXJJCK-UHFFFAOYSA-N 2 0 348.450 3.269 10 0 EGAERP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367612664 168249436 /nfs/dbraw/zinc/24/94/36/168249436.db2.gz DSVHXYSRHVUDIX-AQNXPRMDSA-N 2 0 332.488 3.064 10 0 EGAERP CC(C)(C)CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271356215 266647863 /nfs/dbraw/zinc/64/78/63/266647863.db2.gz MJWFTQAVBZUDPL-HXUWFJFHSA-N 2 0 329.532 3.315 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000278452131 268016307 /nfs/dbraw/zinc/01/63/07/268016307.db2.gz LPQMBZWPXBBFSD-DQLDELGASA-N 2 0 342.458 3.359 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000358947722 274101995 /nfs/dbraw/zinc/10/19/95/274101995.db2.gz IKGFFIUTVIJVKG-AWEZNQCLSA-N 2 0 329.419 3.447 10 0 EGAERP Cc1ccc(OCCC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1C ZINC000106124881 275167937 /nfs/dbraw/zinc/16/79/37/275167937.db2.gz SULHCGOLDFIKOY-IBGZPJMESA-N 2 0 348.531 3.097 10 0 EGAERP FC(F)(F)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000287788896 276157165 /nfs/dbraw/zinc/15/71/65/276157165.db2.gz SPTHVWGBBLYQAZ-IRXDYDNUSA-N 2 0 342.405 3.482 10 0 EGAERP CC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccc(F)cc2C1 ZINC000184522841 278052224 /nfs/dbraw/zinc/05/22/24/278052224.db2.gz UZHSYCBLWOPBIU-HXUWFJFHSA-N 2 0 347.478 3.081 10 0 EGAERP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562109 278344677 /nfs/dbraw/zinc/34/46/77/278344677.db2.gz TZEGYJBNWOOEFH-IAGOWNOFSA-N 2 0 339.524 3.240 10 0 EGAERP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000119468366 307496005 /nfs/dbraw/zinc/49/60/05/307496005.db2.gz SRNBIQFFYNLJFS-JQIJEIRASA-N 2 0 335.923 3.359 10 0 EGAERP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200478 309066531 /nfs/dbraw/zinc/06/65/31/309066531.db2.gz XWQFULUZPHVDEK-GJZGRUSLSA-N 2 0 347.894 3.303 10 0 EGAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccncc1 ZINC000414294312 309071182 /nfs/dbraw/zinc/07/11/82/309071182.db2.gz BYAUMIFGFLJUAK-HXUWFJFHSA-N 2 0 339.483 3.149 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@@H](O)C(C)C ZINC000414302785 309071669 /nfs/dbraw/zinc/07/16/69/309071669.db2.gz BWIHVTOZNXVCBA-QMMLZNLJSA-N 2 0 332.532 3.467 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H](CO)C2)CC1 ZINC000414330059 309073313 /nfs/dbraw/zinc/07/33/13/309073313.db2.gz DMVYXKYZWWLHFE-LMNJBCLMSA-N 2 0 330.516 3.223 10 0 EGAERP OC[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414337750 309073723 /nfs/dbraw/zinc/07/37/23/309073723.db2.gz KYXWYJDSJOSAGU-SSSFQFABSA-N 2 0 328.500 3.323 10 0 EGAERP C[C@H](Cc1ccccc1)C[NH+]1CCN(CC[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000248537618 308005241 /nfs/dbraw/zinc/00/52/41/308005241.db2.gz AABXUNXETWZRNG-HKBOAZHASA-N 2 0 343.559 3.356 10 0 EGAERP CCCCOC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248638824 308008034 /nfs/dbraw/zinc/00/80/34/308008034.db2.gz BDYWUGZZJMLZQY-UYAOXDASSA-N 2 0 340.552 3.141 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccc(Cl)cc2)CC1 ZINC000254952631 308035276 /nfs/dbraw/zinc/03/52/76/308035276.db2.gz WIFGPXDORMBWJM-MJSXRHKHSA-N 2 0 336.907 3.378 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000293696349 308153715 /nfs/dbraw/zinc/15/37/15/308153715.db2.gz CHDAIMHXLOQWEQ-GXTWGEPZSA-N 2 0 326.282 3.006 10 0 EGAERP C[C@@H]1C[C@H](C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)CC[NH2+]1 ZINC000414768234 309099656 /nfs/dbraw/zinc/09/96/56/309099656.db2.gz UOHIOBRWVGYEIW-HZPDHXFCSA-N 2 0 331.479 3.041 10 0 EGAERP CCc1noc(C2CCC([NH2+]Cc3ccc([C@H](C)[NH3+])cc3)CC2)n1 ZINC000414811654 309103043 /nfs/dbraw/zinc/10/30/43/309103043.db2.gz QDDNOQXXRSPGID-IGEOTXOUSA-N 2 0 328.460 3.468 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000414816007 309103384 /nfs/dbraw/zinc/10/33/84/309103384.db2.gz YVEUQANGNQILCQ-HNNXBMFYSA-N 2 0 331.504 3.223 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817792 309103450 /nfs/dbraw/zinc/10/34/50/309103450.db2.gz BSSWOKREZWDFQG-IPYPFGDCSA-N 2 0 325.294 3.358 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414822596 309103876 /nfs/dbraw/zinc/10/38/76/309103876.db2.gz NDZLKSWBGYSJHF-BZPMIXESSA-N 2 0 343.284 3.497 10 0 EGAERP [NH3+]CCCC[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414897201 309108086 /nfs/dbraw/zinc/10/80/86/309108086.db2.gz BHHXMFYUBQKXEY-UHFFFAOYSA-N 2 0 340.290 3.401 10 0 EGAERP C[C@@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414884951 309107103 /nfs/dbraw/zinc/10/71/03/309107103.db2.gz OPISLZLBIXAKDT-JTQLQIEISA-N 2 0 340.290 3.400 10 0 EGAERP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OCC(F)(F)F ZINC000414938926 309110120 /nfs/dbraw/zinc/11/01/20/309110120.db2.gz ITPWMAVWEKYHKL-JSGCOSHPSA-N 2 0 346.393 3.114 10 0 EGAERP CC(C)C[C@H]([NH3+])C[NH2+][C@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076570 309118419 /nfs/dbraw/zinc/11/84/19/309118419.db2.gz CVZGVYCJRIRETL-YPMHNXCESA-N 2 0 331.273 3.482 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415074506 309118506 /nfs/dbraw/zinc/11/85/06/309118506.db2.gz AHJWTQCFRSZJQC-GBESFXJTSA-N 2 0 343.515 3.174 10 0 EGAERP CC(C)C[C@@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076569 309118556 /nfs/dbraw/zinc/11/85/56/309118556.db2.gz CVZGVYCJRIRETL-WCQYABFASA-N 2 0 331.273 3.482 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)Cc1ccsc1 ZINC000415897183 309146676 /nfs/dbraw/zinc/14/66/76/309146676.db2.gz FKRWIZXAPAIYLG-UHFFFAOYSA-N 2 0 346.500 3.063 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](C2CCC(C)CC2)CC1 ZINC000415908895 309147687 /nfs/dbraw/zinc/14/76/87/309147687.db2.gz FBPXARYROQMLBP-UHFFFAOYSA-N 2 0 344.503 3.134 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000415933394 309149735 /nfs/dbraw/zinc/14/97/35/309149735.db2.gz PZPKAJNJYIUQCI-UHFFFAOYSA-N 2 0 332.492 3.136 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415950255 309150918 /nfs/dbraw/zinc/15/09/18/309150918.db2.gz HFTXFPZWDYKESY-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415953978 309151013 /nfs/dbraw/zinc/15/10/13/309151013.db2.gz LRBMIUGBHOYAIX-BBWFWOEESA-N 2 0 346.519 3.284 10 0 EGAERP CN(C(=O)c1cccc(C[NH+]2CCCC2)c1)C(C)(C)C[NH+]1CCCC1 ZINC000416335904 309169268 /nfs/dbraw/zinc/16/92/68/309169268.db2.gz XIAKSCFTTHZGNU-UHFFFAOYSA-N 2 0 343.515 3.229 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCC(OC)CC2)CC1 ZINC000419784503 309272044 /nfs/dbraw/zinc/27/20/44/309272044.db2.gz QTWJWAXQZOMYGM-UHFFFAOYSA-N 2 0 345.531 3.266 10 0 EGAERP COCc1cccc(OCC2(C[N@@H+]3CC[C@H](C)[C@@H](C[NH3+])C3)CCC2)c1 ZINC000420406373 309286731 /nfs/dbraw/zinc/28/67/31/309286731.db2.gz NUVWQHJXUYRTON-HKUYNNGSSA-N 2 0 346.515 3.299 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707015 309364056 /nfs/dbraw/zinc/36/40/56/309364056.db2.gz GLMCYCNKRNPIGE-IYWMVGAKSA-N 2 0 333.495 3.329 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777048 309367678 /nfs/dbraw/zinc/36/76/78/309367678.db2.gz DXYPBOPGYOWHGJ-UONOGXRCSA-N 2 0 341.455 3.249 10 0 EGAERP COc1ccc([C@H](NC2CC[NH+](CC(C)C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422816929 309370023 /nfs/dbraw/zinc/37/00/23/309370023.db2.gz GMFGQODUJQDHNU-SFTDATJTSA-N 2 0 345.531 3.198 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000422886475 309374364 /nfs/dbraw/zinc/37/43/64/309374364.db2.gz JDRAIYJRNLUJEH-GDBMZVCRSA-N 2 0 335.455 3.446 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940556 309377341 /nfs/dbraw/zinc/37/73/41/309377341.db2.gz GZOFEARZKAAFAW-QUCCMNQESA-N 2 0 346.446 3.267 10 0 EGAERP CCCC(O)(CCC)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974386 309379120 /nfs/dbraw/zinc/37/91/20/309379120.db2.gz DWJQSTOJEGSMPV-YLJYHZDGSA-N 2 0 332.488 3.163 10 0 EGAERP COc1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422985120 309379435 /nfs/dbraw/zinc/37/94/35/309379435.db2.gz CEVAAQOCLINHGG-VAMGGRTRSA-N 2 0 332.488 3.112 10 0 EGAERP CCC1(C[NH2+][C@H]2CCC[C@@H]2C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423003907 309380388 /nfs/dbraw/zinc/38/03/88/309380388.db2.gz NONPNEQOEDFWTQ-UXHICEINSA-N 3 0 329.532 3.396 10 0 EGAERP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423142833 309388183 /nfs/dbraw/zinc/38/81/83/309388183.db2.gz BJDBXDRNAIOMTG-OQIJWPOYSA-N 2 0 336.426 3.089 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]CCCNCc1cccnc1)CCCO2 ZINC000423186003 309389496 /nfs/dbraw/zinc/38/94/96/309389496.db2.gz KJTCJICNLUIOQZ-LJQANCHMSA-N 2 0 325.456 3.373 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214553 309390832 /nfs/dbraw/zinc/39/08/32/309390832.db2.gz PCLDOKJXZZFPII-QMTHXVAHSA-N 2 0 327.241 3.165 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423276929 309393529 /nfs/dbraw/zinc/39/35/29/309393529.db2.gz NPQDGOPZYPZXQW-ALGQRKQJSA-N 2 0 327.516 3.289 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2NCC[NH2+]C1CCCCCC1 ZINC000423281244 309393853 /nfs/dbraw/zinc/39/38/53/309393853.db2.gz BAPJCBGPTVKNPV-CTNGQTDRSA-N 2 0 343.515 3.144 10 0 EGAERP Brc1cccc2c1C[C@@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CC2 ZINC000423284953 309393966 /nfs/dbraw/zinc/39/39/66/309393966.db2.gz ZAGAQGVOSWKMKV-HIFRSBDPSA-N 2 0 337.305 3.286 10 0 EGAERP COc1ccc([C@H](NCc2ccc([C@H](C)[NH3+])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423290958 309394128 /nfs/dbraw/zinc/39/41/28/309394128.db2.gz GBSLBARUWQXWII-JHVJFLLYSA-N 2 0 339.483 3.298 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1NC(C)=O ZINC000423422942 309399756 /nfs/dbraw/zinc/39/97/56/309399756.db2.gz LISALPHTPIWYSR-FVQBIDKESA-N 2 0 333.476 3.069 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447722633 309986699 /nfs/dbraw/zinc/98/66/99/309986699.db2.gz JZXIXEMUOJRPBH-CZUORRHYSA-N 2 0 333.476 3.177 10 0 EGAERP CC[N@@H+]1CCC[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449108863 310037627 /nfs/dbraw/zinc/03/76/27/310037627.db2.gz WJQMVXXNTFGYBD-FPOVZHCZSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000449131016 310039202 /nfs/dbraw/zinc/03/92/02/310039202.db2.gz JOKOKXQFUKRNPU-KPFFTGBYSA-N 2 0 349.950 3.449 10 0 EGAERP CCC[N@H+](CC)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449180046 310042614 /nfs/dbraw/zinc/04/26/14/310042614.db2.gz YIDGJDNFUXQALO-LJQANCHMSA-N 2 0 331.548 3.404 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@]2(O)CCSC2)CC1 ZINC000449192050 310043441 /nfs/dbraw/zinc/04/34/41/310043441.db2.gz XVASNXCVEBEQJE-GOSISDBHSA-N 2 0 328.566 3.123 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000449252238 310047714 /nfs/dbraw/zinc/04/77/14/310047714.db2.gz UNIHDYJFYHQEQT-SFHVURJKSA-N 2 0 330.516 3.224 10 0 EGAERP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000449294219 310051004 /nfs/dbraw/zinc/05/10/04/310051004.db2.gz YHUKDQKIKJMHMZ-QZTJIDSGSA-N 2 0 340.552 3.449 10 0 EGAERP COC(=O)C(C)(C)CC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449316872 310053049 /nfs/dbraw/zinc/05/30/49/310053049.db2.gz QNTOKFVSZWWNKF-QGZVFWFLSA-N 2 0 346.515 3.261 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000449332432 310054131 /nfs/dbraw/zinc/05/41/31/310054131.db2.gz DGQBBKRWINQICY-UTKZUKDTSA-N 2 0 330.516 3.223 10 0 EGAERP COC[C@](C)(O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449383370 310057885 /nfs/dbraw/zinc/05/78/85/310057885.db2.gz GUBRVGICJDVWBM-LJQANCHMSA-N 2 0 328.541 3.043 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@]2(CCSC2)C1 ZINC000449732652 310083088 /nfs/dbraw/zinc/08/30/88/310083088.db2.gz LYEAZAHUGQDIDY-SFHVURJKSA-N 2 0 328.485 3.295 10 0 EGAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453200627 310263690 /nfs/dbraw/zinc/26/36/90/310263690.db2.gz VIOLSXAGPWRAOY-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1CC1(C)C ZINC000487305168 311019833 /nfs/dbraw/zinc/01/98/33/311019833.db2.gz MJCLYWPATKPHEU-LPHOPBHVSA-N 2 0 343.515 3.036 10 0 EGAERP CC(C)C1CC([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)C1 ZINC000488447848 311066294 /nfs/dbraw/zinc/06/62/94/311066294.db2.gz XXIRNUZCBYLIKS-CBNMVNINSA-N 2 0 329.532 3.389 10 0 EGAERP CCC(C)(C)NC(=O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000489678414 311116240 /nfs/dbraw/zinc/11/62/40/311116240.db2.gz NQCVQNAGDWORSJ-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@H]21 ZINC000514100013 312224890 /nfs/dbraw/zinc/22/48/90/312224890.db2.gz SLYZNDFORUJPJP-SLFFLAALSA-N 2 0 342.531 3.424 10 0 EGAERP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OCC ZINC000514100449 312225092 /nfs/dbraw/zinc/22/50/92/312225092.db2.gz VZHDRQZIGKLBQI-QRVBRYPASA-N 2 0 346.515 3.489 10 0 EGAERP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OCC ZINC000514100448 312225298 /nfs/dbraw/zinc/22/52/98/312225298.db2.gz VZHDRQZIGKLBQI-OTWHNJEPSA-N 2 0 346.515 3.489 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H]2CCC[C@H]21 ZINC000552248850 315209023 /nfs/dbraw/zinc/20/90/23/315209023.db2.gz VKVBCRQOIIOEOJ-FGTMMUONSA-N 2 0 344.499 3.198 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc(Cl)cc1 ZINC000552247433 315209128 /nfs/dbraw/zinc/20/91/28/315209128.db2.gz OXROUGZCGHYPDB-ZSYWTGECSA-N 2 0 335.923 3.405 10 0 EGAERP OC1(C[NH2+]Cc2cccc3cc[nH]c32)CC[NH+](Cc2ccccc2)CC1 ZINC000397530552 324294822 /nfs/dbraw/zinc/29/48/22/324294822.db2.gz HIDJKAKPRTTZIP-UHFFFAOYSA-N 2 0 349.478 3.285 10 0 EGAERP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000579462251 325113076 /nfs/dbraw/zinc/11/30/76/325113076.db2.gz WWRJRJJUZFYYOB-CBQXQHFASA-N 2 0 342.531 3.190 10 0 EGAERP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C1 ZINC000579462252 325113109 /nfs/dbraw/zinc/11/31/09/325113109.db2.gz WWRJRJJUZFYYOB-LWJCUCHCSA-N 2 0 342.531 3.190 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)CC(F)(F)F ZINC000189956318 455260100 /nfs/dbraw/zinc/26/01/00/455260100.db2.gz IYDWUPXPYPIPQH-NUCGDHGJSA-N 2 0 344.421 3.046 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)CC1(C)C ZINC000623507239 460587268 /nfs/dbraw/zinc/58/72/68/460587268.db2.gz AGCDZRCDGVHZHU-IRFCIJBXSA-N 2 0 348.506 3.362 10 0 EGAERP CCOC(=O)CC[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000612397836 460617888 /nfs/dbraw/zinc/61/78/88/460617888.db2.gz WTIKFXLKCDCOFP-OAHLLOKOSA-N 2 0 347.484 3.489 10 0 EGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000067389309 453928194 /nfs/dbraw/zinc/92/81/94/453928194.db2.gz AWBZDIYHPRGINT-QGZVFWFLSA-N 2 0 348.535 3.010 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1(C)C ZINC000623575132 460621380 /nfs/dbraw/zinc/62/13/80/460621380.db2.gz LWLQTEQFFRWHFM-WOJBJXKFSA-N 2 0 346.515 3.345 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000090937044 454351987 /nfs/dbraw/zinc/35/19/87/454351987.db2.gz OSIKKTYRVRTCRS-QGZVFWFLSA-N 2 0 328.460 3.048 10 0 EGAERP C[C@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971109 454426222 /nfs/dbraw/zinc/42/62/22/454426222.db2.gz IJRICHSQDOUPSO-GOSISDBHSA-N 2 0 343.515 3.014 10 0 EGAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccc(Cl)cc1 ZINC000103482395 454559853 /nfs/dbraw/zinc/55/98/53/454559853.db2.gz GIOZZWMMZUSYOG-UHFFFAOYSA-N 2 0 349.906 3.476 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000122769790 454568348 /nfs/dbraw/zinc/56/83/48/454568348.db2.gz WPARYTRIURCZSH-OAHLLOKOSA-N 2 0 347.503 3.426 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000123424757 454635423 /nfs/dbraw/zinc/63/54/23/454635423.db2.gz QIAANHJBGPTIED-UHFFFAOYSA-N 2 0 327.472 3.082 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)COc2ccc(C)cc2)CC1 ZINC000052209205 454661597 /nfs/dbraw/zinc/66/15/97/454661597.db2.gz DYCOCBGTDSZOLU-FQEVSTJZSA-N 2 0 348.531 3.179 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000106126382 454681665 /nfs/dbraw/zinc/68/16/65/454681665.db2.gz SPDDODVEYKICHU-CYBMUJFWSA-N 2 0 328.859 3.004 10 0 EGAERP CCC[C@@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C)[NH+](C)C ZINC000161843143 454729232 /nfs/dbraw/zinc/72/92/32/454729232.db2.gz LUGKMMZMPHWVLZ-SFHVURJKSA-N 2 0 349.544 3.213 10 0 EGAERP CC(C)c1ccc(CC[NH2+]C[C@@H](C(C)C)N2CC[NH+](C)CC2)cc1 ZINC000138041980 454788339 /nfs/dbraw/zinc/78/83/39/454788339.db2.gz AROUADPMKPVUBB-NRFANRHFSA-N 2 0 331.548 3.214 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000111684410 454871454 /nfs/dbraw/zinc/87/14/54/454871454.db2.gz HZBWPWXKROOQPF-UHFFFAOYSA-N 2 0 341.499 3.472 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@H+]1CC(=O)Nc1ccc(C(C)C)cc1 ZINC000178751479 454972694 /nfs/dbraw/zinc/97/26/94/454972694.db2.gz QFGIWHYMVPQBQT-IBGZPJMESA-N 2 0 340.471 3.418 10 0 EGAERP CCc1nccn1[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000155231431 454977604 /nfs/dbraw/zinc/97/76/04/454977604.db2.gz ICJPKPVXYFJWPW-WMZOPIPTSA-N 2 0 346.519 3.262 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000127770171 454995350 /nfs/dbraw/zinc/99/53/50/454995350.db2.gz RKPQEXKLFIDNGR-STQMWFEESA-N 2 0 330.303 3.280 10 0 EGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1cnc(C)n1-c1ccccc1 ZINC000180127052 455136509 /nfs/dbraw/zinc/13/65/09/455136509.db2.gz YBYKTDVBZBPHOM-LJQANCHMSA-N 2 0 335.455 3.350 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccccc2Cl)CC1 ZINC000181831318 455387203 /nfs/dbraw/zinc/38/72/03/455387203.db2.gz XUWITSUXTSPUIP-INIZCTEOSA-N 2 0 338.923 3.297 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246703211 455517926 /nfs/dbraw/zinc/51/79/26/455517926.db2.gz WJKUXCBNEUAJRK-WOJBJXKFSA-N 2 0 345.531 3.442 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266975 455612827 /nfs/dbraw/zinc/61/28/27/455612827.db2.gz ZDXJBJPAKACJMJ-UTKZUKDTSA-N 2 0 343.515 3.473 10 0 EGAERP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266952 455613126 /nfs/dbraw/zinc/61/31/26/455613126.db2.gz ZDDFSUYSJPJRNM-UGSOOPFHSA-N 2 0 346.862 3.479 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000248050862 455675355 /nfs/dbraw/zinc/67/53/55/455675355.db2.gz WHKSMGGALAUVLN-RHSMWYFYSA-N 2 0 335.879 3.085 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CSCCS1 ZINC000268890294 455720468 /nfs/dbraw/zinc/72/04/68/455720468.db2.gz ACPPJINORRMKGF-BPQIPLTHSA-N 2 0 336.570 3.335 10 0 EGAERP Cn1cc(CN(Cc2ccc(Cl)cc2)C[C@@]2(C)CC[NH2+]C2)cn1 ZINC000261946367 455975444 /nfs/dbraw/zinc/97/54/44/455975444.db2.gz FHYQXWUQZHUBPO-SFHVURJKSA-N 2 0 332.879 3.075 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC000281033320 456115505 /nfs/dbraw/zinc/11/55/05/456115505.db2.gz PKSJKIGOKQVDDW-UHFFFAOYSA-N 2 0 343.515 3.032 10 0 EGAERP CCc1cc(N2CC[N@H+](C[C@@H](C)O)[C@@H](CC)C2)c2ccccc2[nH+]1 ZINC000301775127 456210898 /nfs/dbraw/zinc/21/08/98/456210898.db2.gz GFADBIDPGWZVRQ-WBVHZDCISA-N 2 0 327.472 3.079 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000298283264 456414029 /nfs/dbraw/zinc/41/40/29/456414029.db2.gz GYFUZBBRPMFKIV-QRVBRYPASA-N 2 0 334.529 3.281 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340450144 456468867 /nfs/dbraw/zinc/46/88/67/456468867.db2.gz GSKPAFLOBGTTKL-FCEWJHQRSA-N 2 0 325.456 3.348 10 0 EGAERP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)ccc2n1 ZINC000276476304 456492909 /nfs/dbraw/zinc/49/29/09/456492909.db2.gz ZNOZGEWENBYOPD-IEBWSBKVSA-N 2 0 349.438 3.210 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc1OCC(C)C ZINC000353235013 456576148 /nfs/dbraw/zinc/57/61/48/456576148.db2.gz APOHOVJXGZBKDV-OAHLLOKOSA-N 2 0 329.444 3.100 10 0 EGAERP C[C@@H]1C[C@@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC[N@@H+]1C ZINC000658320037 462477084 /nfs/dbraw/zinc/47/70/84/462477084.db2.gz MLZCUWRJMQQBQT-GIVPXCGWSA-N 2 0 341.543 3.361 10 0 EGAERP CC[NH+]1CCC(NC[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658320224 462477244 /nfs/dbraw/zinc/47/72/44/462477244.db2.gz SGAKPMYYDREURE-FQEVSTJZSA-N 2 0 341.543 3.363 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000353633387 456817781 /nfs/dbraw/zinc/81/77/81/456817781.db2.gz XGICZDOEBFHSDZ-OAHLLOKOSA-N 2 0 338.455 3.354 10 0 EGAERP CCC[C@H](NC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072467 456846998 /nfs/dbraw/zinc/84/69/98/456846998.db2.gz DSURQKCHDCKZRL-CUWPLCDZSA-N 2 0 343.515 3.060 10 0 EGAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000349713912 457023906 /nfs/dbraw/zinc/02/39/06/457023906.db2.gz BUQPIKZJYOUUIV-LJQANCHMSA-N 2 0 334.504 3.465 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000354101941 457063697 /nfs/dbraw/zinc/06/36/97/457063697.db2.gz XSZVJHYBIFPJII-LHUXKHBRSA-N 2 0 332.488 3.141 10 0 EGAERP OCC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000347414149 457411977 /nfs/dbraw/zinc/41/19/77/457411977.db2.gz DHONIHFWKCCXJL-AFQACZAZSA-N 2 0 328.500 3.323 10 0 EGAERP c1ccc(C[NH+](CCCNC2CC[NH2+]CC2)Cc2ccccc2)cc1 ZINC000390602406 457440109 /nfs/dbraw/zinc/44/01/09/457440109.db2.gz YNCZIADZZIPTEI-UHFFFAOYSA-N 2 0 337.511 3.421 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000397983651 457494632 /nfs/dbraw/zinc/49/46/32/457494632.db2.gz NNFSIMSXIUGJTB-DUXKGJEZSA-N 2 0 330.516 3.428 10 0 EGAERP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@@H]1CC[NH2+]C1 ZINC000398349171 457497403 /nfs/dbraw/zinc/49/74/03/457497403.db2.gz RDRNONWHNOQFNM-SECBINFHSA-N 2 0 337.183 3.167 10 0 EGAERP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000425355848 457516307 /nfs/dbraw/zinc/51/63/07/457516307.db2.gz LRXQWKKFTGAAGX-PMACEKPBSA-N 2 0 347.572 3.381 10 0 EGAERP CCCCOC(=O)[C@@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000374320160 457583226 /nfs/dbraw/zinc/58/32/26/457583226.db2.gz GCUIBDKWGPAFDC-HZPDHXFCSA-N 2 0 333.476 3.131 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425541192 457591054 /nfs/dbraw/zinc/59/10/54/457591054.db2.gz FZWUABMQRYZHFC-INIZCTEOSA-N 2 0 338.459 3.123 10 0 EGAERP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374712511 457692542 /nfs/dbraw/zinc/69/25/42/457692542.db2.gz CZICHOIEDYAMOU-LQWHRVPQSA-N 2 0 347.522 3.105 10 0 EGAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000357845532 457708918 /nfs/dbraw/zinc/70/89/18/457708918.db2.gz DOACOQRDWSXDBQ-OPYAIIAOSA-N 2 0 345.531 3.367 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300674 457920620 /nfs/dbraw/zinc/92/06/20/457920620.db2.gz NVHPZGZCUVNRSC-XKQJLSEDSA-N 2 0 334.529 3.265 10 0 EGAERP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000361929508 457961083 /nfs/dbraw/zinc/96/10/83/457961083.db2.gz NQWHWSNWOLDRJM-PXNSSMCTSA-N 2 0 339.483 3.133 10 0 EGAERP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC000411756860 457971416 /nfs/dbraw/zinc/97/14/16/457971416.db2.gz JUZDUGWSAKEOAV-OAQYLSRUSA-N 2 0 327.516 3.200 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000375895938 458113051 /nfs/dbraw/zinc/11/30/51/458113051.db2.gz RCVJAUVGCUDHIH-KANFNMMFSA-N 2 0 346.515 3.345 10 0 EGAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423441260 458433805 /nfs/dbraw/zinc/43/38/05/458433805.db2.gz BEOLEOYOXUQHED-MQIPJXDCSA-N 2 0 341.293 3.242 10 0 EGAERP COCCC[C@H](N[C@@H](C)[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423453489 458435834 /nfs/dbraw/zinc/43/58/34/458435834.db2.gz XSOJJVNIQNINPF-XUJVJEKNSA-N 2 0 329.282 3.242 10 0 EGAERP CC(C)[C@@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519743 458449712 /nfs/dbraw/zinc/44/97/12/458449712.db2.gz QJYVTCCCPQAGQA-XVAXZDLZSA-N 2 0 347.522 3.199 10 0 EGAERP CC(C)Oc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423524318 458450874 /nfs/dbraw/zinc/45/08/74/458450874.db2.gz WYFNEPFDCJJOFI-KKXNLOMOSA-N 2 0 345.531 3.341 10 0 EGAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521677 458451491 /nfs/dbraw/zinc/45/14/91/458451491.db2.gz GLCKDLHMCKNUSZ-XJDHANQYSA-N 2 0 341.499 3.147 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423534758 458453965 /nfs/dbraw/zinc/45/39/65/458453965.db2.gz AVHHOTSIABSFJZ-HNNXBMFYSA-N 2 0 325.378 3.377 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c(C[NH+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459790884 458480248 /nfs/dbraw/zinc/48/02/48/458480248.db2.gz HPMXSBFPGZFEOZ-XSLAGTTESA-N 2 0 332.538 3.066 10 0 EGAERP C[C@H]1C[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[N@@H+]1C1CC1 ZINC000373490621 458508294 /nfs/dbraw/zinc/50/82/94/458508294.db2.gz QPFZKVJOEBVASV-IDSHBHDBSA-N 2 0 345.453 3.007 10 0 EGAERP C[C@@H]1C[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[N@@H+]1C1CC1 ZINC000373490622 458508444 /nfs/dbraw/zinc/50/84/44/458508444.db2.gz QPFZKVJOEBVASV-RDAFDQFTSA-N 2 0 345.453 3.007 10 0 EGAERP C[C@H]1CC2(C[N@@H+]1CCCc1nc(-c3cccs3)no1)CC[NH2+]CC2 ZINC000424288607 458605328 /nfs/dbraw/zinc/60/53/28/458605328.db2.gz KTXYRIMOORYSFC-AWEZNQCLSA-N 2 0 346.500 3.195 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494888364 458761728 /nfs/dbraw/zinc/76/17/28/458761728.db2.gz YLEFXPVCUZOKSF-VQIMIIECSA-N 2 0 343.515 3.065 10 0 EGAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000495058019 458790648 /nfs/dbraw/zinc/79/06/48/458790648.db2.gz HTZCLXNTYDLBAQ-IBGZPJMESA-N 2 0 343.515 3.209 10 0 EGAERP CC(C)[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475146833 458924468 /nfs/dbraw/zinc/92/44/68/458924468.db2.gz ZEYAYXWNMMXKKR-XUVXKRRUSA-N 2 0 345.531 3.210 10 0 EGAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683417 458961222 /nfs/dbraw/zinc/96/12/22/458961222.db2.gz JSTGRJGEFHGDBB-IIMDRIAPSA-N 2 0 329.532 3.204 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000476264362 458990318 /nfs/dbraw/zinc/99/03/18/458990318.db2.gz VRWABNWOBMBHNU-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCC2 ZINC000594504908 459066488 /nfs/dbraw/zinc/06/64/88/459066488.db2.gz OBMXBLUBMOGXQP-SFHVURJKSA-N 2 0 330.472 3.172 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000594512120 459071506 /nfs/dbraw/zinc/07/15/06/459071506.db2.gz UCWLMSYLHIEFHT-WTLGNFPFSA-N 2 0 330.472 3.098 10 0 EGAERP CC(C)(C)OC(=O)C(C)(C)CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000594949476 459189190 /nfs/dbraw/zinc/18/91/90/459189190.db2.gz DUAIUHRRXQGFAH-UHFFFAOYSA-N 2 0 344.459 3.115 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559580907 459266088 /nfs/dbraw/zinc/26/60/88/459266088.db2.gz DDNAPTWUGAZOQW-QGZVFWFLSA-N 2 0 348.531 3.449 10 0 EGAERP c1ccc(CN2CCCO[C@H](C[NH+]3C[C@H]4CCCC[C@@H]4C3)C2)cc1 ZINC000560158885 459306663 /nfs/dbraw/zinc/30/66/63/459306663.db2.gz FPSRMACRRCAZFX-NJYVYQBISA-N 2 0 328.500 3.400 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)CC2)CC1 ZINC000560546341 459371165 /nfs/dbraw/zinc/37/11/65/459371165.db2.gz ZOCHGHOYTWTOLQ-DPVAKWRKSA-N 2 0 333.564 3.492 10 0 EGAERP CCCC1CCC([N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000484871941 459433253 /nfs/dbraw/zinc/43/32/53/459433253.db2.gz HJDGUDGZYGRSTM-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000569719214 459499209 /nfs/dbraw/zinc/49/92/09/459499209.db2.gz PEJNLDIBIYJBRQ-JUGMSXHOSA-N 2 0 329.488 3.157 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000569940866 459535827 /nfs/dbraw/zinc/53/58/27/459535827.db2.gz IYBIOPXDJIMBTO-URLYELCFSA-N 2 0 341.421 3.099 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(c2ccc3c(c2)OCO3)CC1 ZINC000542309728 459545996 /nfs/dbraw/zinc/54/59/96/459545996.db2.gz DILLZBKDADTHLI-UHFFFAOYSA-N 2 0 348.406 3.083 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1(C(=O)OC)CCC1 ZINC000592401121 459593629 /nfs/dbraw/zinc/59/36/29/459593629.db2.gz AMTSFZKECZHVHW-CEXWTWQISA-N 2 0 344.499 3.043 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]CC1 ZINC000592470816 459608689 /nfs/dbraw/zinc/60/86/89/459608689.db2.gz JVWMPZRLRJTORI-HNNXBMFYSA-N 2 0 348.462 3.116 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)ccn1 ZINC000527635117 459679455 /nfs/dbraw/zinc/67/94/55/459679455.db2.gz VDILTUWEAVEQPQ-HDICACEKSA-N 2 0 339.483 3.289 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000527810194 459744995 /nfs/dbraw/zinc/74/49/95/459744995.db2.gz VCCXGUIZHDQKRT-SLYNCCJLSA-N 2 0 327.516 3.428 10 0 EGAERP CCC[N@@H+]1CC[C@@H](CN[C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849981 459758354 /nfs/dbraw/zinc/75/83/54/459758354.db2.gz JPLZXCRNNABCCR-SJORKVTESA-N 2 0 326.488 3.470 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751688 460050163 /nfs/dbraw/zinc/05/01/63/460050163.db2.gz LWUJMFRAKUKVGA-IBGZPJMESA-N 2 0 329.488 3.196 10 0 EGAERP C[C@@H](CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625976884 460322935 /nfs/dbraw/zinc/32/29/35/460322935.db2.gz RMIMQFVIKFBKDD-NFZMNTBDSA-N 2 0 340.552 3.206 10 0 EGAERP COc1cc([C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623357950 460507595 /nfs/dbraw/zinc/50/75/95/460507595.db2.gz IKRPYVJAZOVYHT-UKRRQHHQSA-N 2 0 336.476 3.236 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629517946 460791090 /nfs/dbraw/zinc/79/10/90/460791090.db2.gz BGEHJPPFFDBDMW-YYWHXJBOSA-N 2 0 349.478 3.101 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2cccc(Br)c21 ZINC000629519608 460793109 /nfs/dbraw/zinc/79/31/09/460793109.db2.gz BVULYQBBDGNMIM-RISCZKNCSA-N 2 0 339.277 3.095 10 0 EGAERP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521288 460794637 /nfs/dbraw/zinc/79/46/37/460794637.db2.gz PINOFTLTWYWUEX-CYBMUJFWSA-N 2 0 330.394 3.124 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2c1cc(Br)cc2Cl ZINC000629535429 460799948 /nfs/dbraw/zinc/79/99/48/460799948.db2.gz CNNHVSADQFIONE-AWEZNQCLSA-N 2 0 347.684 3.045 10 0 EGAERP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000629555529 460805807 /nfs/dbraw/zinc/80/58/07/460805807.db2.gz WIJRXKMLKRNZFD-BRWVUGGUSA-N 2 0 342.405 3.038 10 0 EGAERP C[C@@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC000629702353 460875070 /nfs/dbraw/zinc/87/50/70/460875070.db2.gz LXYSSUSYLMLGDW-QGZVFWFLSA-N 2 0 336.483 3.143 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621342932 460998951 /nfs/dbraw/zinc/99/89/51/460998951.db2.gz PJDFPBIRZBKBKD-UHFFFAOYSA-N 2 0 340.515 3.336 10 0 EGAERP C[C@@]1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCS1 ZINC000628236642 461057316 /nfs/dbraw/zinc/05/73/16/461057316.db2.gz JPTVUFXGZFMRLJ-OALUTQOASA-N 2 0 334.529 3.019 10 0 EGAERP FC(F)(F)c1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1 ZINC000662251146 461143181 /nfs/dbraw/zinc/14/31/81/461143181.db2.gz ZZUWDNSERLMINZ-INIZCTEOSA-N 2 0 340.389 3.191 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662260359 461147989 /nfs/dbraw/zinc/14/79/89/461147989.db2.gz KHGGBGDBBAXWAN-UHFFFAOYSA-N 3 0 341.543 3.420 10 0 EGAERP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000662279533 461162460 /nfs/dbraw/zinc/16/24/60/461162460.db2.gz AAHZMUCANQRAHX-ZWKOTPCHSA-N 2 0 338.492 3.136 10 0 EGAERP C[C@H](CC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)OCc1ccccc1 ZINC000662321901 461193159 /nfs/dbraw/zinc/19/31/59/461193159.db2.gz FTFYAEMMHURLMU-UYAOXDASSA-N 2 0 334.504 3.024 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000630581386 461201817 /nfs/dbraw/zinc/20/18/17/461201817.db2.gz JISHUCCNMWJWKC-VQTJNVASSA-N 2 0 343.515 3.019 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000659293863 461278998 /nfs/dbraw/zinc/27/89/98/461278998.db2.gz YXFKTVNKWXGJSV-IFXJQAMLSA-N 2 0 337.467 3.015 10 0 EGAERP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H]4[C@H](CCCN4C4CC4)C3)C2)cc1 ZINC000638178070 461287634 /nfs/dbraw/zinc/28/76/34/461287634.db2.gz DZBOPANVEHYOIX-KNKQGSTJSA-N 2 0 339.527 3.462 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CO[C@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713323 461392496 /nfs/dbraw/zinc/39/24/96/461392496.db2.gz MQESQTKLGUAKAU-HBMCJLEFSA-N 2 0 340.511 3.446 10 0 EGAERP CCC1([NH+](C)C)CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000634122923 461427338 /nfs/dbraw/zinc/42/73/38/461427338.db2.gz ACOKQHNEMHPXHG-GOSISDBHSA-N 2 0 331.504 3.012 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000655804562 461463472 /nfs/dbraw/zinc/46/34/72/461463472.db2.gz ZNMHZHLEBYTQIT-IWKCEXAMSA-N 2 0 336.907 3.360 10 0 EGAERP CN(c1ncnc2[nH]c3cc(F)ccc3c21)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000642266523 461482690 /nfs/dbraw/zinc/48/26/90/461482690.db2.gz WQBWICRDVSNJDD-PBWFPOADSA-N 2 0 339.418 3.312 10 0 EGAERP C[N@H+](CCN1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1)Cc1ccccc1 ZINC000659913408 461494664 /nfs/dbraw/zinc/49/46/64/461494664.db2.gz YZDSWVBMHDFASF-BHIFYINESA-N 2 0 341.543 3.172 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1)C(C)C ZINC000653169518 461533723 /nfs/dbraw/zinc/53/37/23/461533723.db2.gz TWIIANRSGCFWLF-UHFFFAOYSA-N 2 0 343.515 3.260 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCc2c(F)cccc2F)C1 ZINC000655941816 461546908 /nfs/dbraw/zinc/54/69/08/461546908.db2.gz DGXPIBPCUKSPJP-CCKFTAQKSA-N 2 0 338.442 3.258 10 0 EGAERP c1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)sn1 ZINC000638734962 461554758 /nfs/dbraw/zinc/55/47/58/461554758.db2.gz IKNPZULJVQNFAU-UHFFFAOYSA-N 2 0 345.512 3.304 10 0 EGAERP C[C@@H](C[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1)CC(F)F ZINC000647226695 461574111 /nfs/dbraw/zinc/57/41/11/461574111.db2.gz TXKJHEBEMWVFHR-CYBMUJFWSA-N 2 0 345.865 3.473 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000660154140 461609743 /nfs/dbraw/zinc/60/97/43/461609743.db2.gz JGBDLQBAUNVOJA-NQIIRXRSSA-N 2 0 343.559 3.442 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)CCC2CCCCC2)CC1 ZINC000663505316 461676809 /nfs/dbraw/zinc/67/68/09/461676809.db2.gz HNBRUHNSTWKXGJ-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](c2ccccc2)C(C)C)CC1 ZINC000663506861 461677752 /nfs/dbraw/zinc/67/77/52/461677752.db2.gz WEGGQHJLCPXLCH-HXUWFJFHSA-N 2 0 345.531 3.006 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOC2CCC2)cc1 ZINC000656407180 461735755 /nfs/dbraw/zinc/73/57/55/461735755.db2.gz RAEZBDWCZOMFAO-FKVLARQCSA-N 2 0 340.511 3.398 10 0 EGAERP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000643466583 461736939 /nfs/dbraw/zinc/73/69/39/461736939.db2.gz CZSIIIYYOXNKRF-LMNJBCLMSA-N 2 0 344.499 3.427 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000663655479 461737172 /nfs/dbraw/zinc/73/71/72/461737172.db2.gz NTFBSYCMAKZMOJ-KRWDZBQOSA-N 2 0 340.556 3.061 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535494 461756370 /nfs/dbraw/zinc/75/63/70/461756370.db2.gz FFJNNFXSKHGJOW-ZIAGYGMSSA-N 2 0 339.252 3.307 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)C[C@H](C)O1 ZINC000647792290 461836605 /nfs/dbraw/zinc/83/66/05/461836605.db2.gz YNGNGXCOCAGXMO-KVNUXVDHSA-N 2 0 343.515 3.096 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647801263 461843026 /nfs/dbraw/zinc/84/30/26/461843026.db2.gz SZTYOCHKHBZSCK-RYQLBKOJSA-N 2 0 342.508 3.478 10 0 EGAERP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786497 461897829 /nfs/dbraw/zinc/89/78/29/461897829.db2.gz TWFZEAKRQRAAEJ-GOSISDBHSA-N 2 0 342.462 3.223 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000647962119 461909518 /nfs/dbraw/zinc/90/95/18/461909518.db2.gz NLSDCYLKJWAFBN-LEWJYISDSA-N 2 0 330.516 3.382 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000650722807 461914362 /nfs/dbraw/zinc/91/43/62/461914362.db2.gz BRBPUTJLEBORIV-OTWHNJEPSA-N 2 0 332.488 3.173 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000650758711 461938688 /nfs/dbraw/zinc/93/86/88/461938688.db2.gz WEJAJMUIRKAPKY-QGZVFWFLSA-N 3 0 341.499 3.197 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OCCOC)cc1 ZINC000650758145 461939354 /nfs/dbraw/zinc/93/93/54/461939354.db2.gz KCZKEZHTTORZFP-INIZCTEOSA-N 2 0 328.456 3.282 10 0 EGAERP O[C@@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545358 461979501 /nfs/dbraw/zinc/97/95/01/461979501.db2.gz LFSCOKKIQLVVMJ-LEWJYISDSA-N 2 0 330.516 3.082 10 0 EGAERP CCC(CC)[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCCC1 ZINC000657305145 462030795 /nfs/dbraw/zinc/03/07/95/462030795.db2.gz XIKNIUGAWDDSGD-HXUWFJFHSA-N 2 0 341.503 3.258 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311955 462037181 /nfs/dbraw/zinc/03/71/81/462037181.db2.gz ACGHOVAROIIGMS-HDICACEKSA-N 2 0 341.503 3.115 10 0 EGAERP CC(C)(C)[C@@H]1OCCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657363792 462073435 /nfs/dbraw/zinc/07/34/35/462073435.db2.gz CCSKLFMKENRALZ-MAUKXSAKSA-N 2 0 328.460 3.198 10 0 EGAERP COc1ccccc1C[C@@H]1CCC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667564618 462146066 /nfs/dbraw/zinc/14/60/66/462146066.db2.gz RZOGFBRAFAQJSB-IBGZPJMESA-N 2 0 348.450 3.483 10 0 EGAERP CC(C)(C)N1CC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657524463 462167398 /nfs/dbraw/zinc/16/73/98/462167398.db2.gz OZBARRCTSRQKPD-LJQANCHMSA-N 2 0 345.531 3.124 10 0 EGAERP CC(C)Oc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657535171 462170673 /nfs/dbraw/zinc/17/06/73/462170673.db2.gz HJLBQSWHZIXBGT-UHFFFAOYSA-N 2 0 346.515 3.454 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)C1 ZINC000657596841 462198861 /nfs/dbraw/zinc/19/88/61/462198861.db2.gz ZOAWGPANMTWEAQ-LJQANCHMSA-N 2 0 335.451 3.024 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cc2)C1 ZINC000657597000 462199384 /nfs/dbraw/zinc/19/93/84/462199384.db2.gz QHXLNLJNQADKOM-IBGZPJMESA-N 2 0 348.849 3.336 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000648714970 462241692 /nfs/dbraw/zinc/24/16/92/462241692.db2.gz VEEZVOBFXCRVDQ-ZCNNSNEGSA-N 2 0 340.471 3.091 10 0 EGAERP Cc1cccnc1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000648736987 462252503 /nfs/dbraw/zinc/25/25/03/462252503.db2.gz PWHNMVMCCBZFID-UHFFFAOYSA-N 2 0 339.483 3.197 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+]CC3=CCCOC3)C3(CCC3)C2)cc1 ZINC000657771320 462259392 /nfs/dbraw/zinc/25/93/92/462259392.db2.gz BFTYTYOTIWLSDO-FQEVSTJZSA-N 2 0 326.484 3.225 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667788971 462263059 /nfs/dbraw/zinc/26/30/59/462263059.db2.gz AQOOUYYNJPUBIV-ICSRJNTNSA-N 2 0 332.488 3.064 10 0 EGAERP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCCSCC2)[C@@H](c2ccccc2)C1 ZINC000657834616 462289211 /nfs/dbraw/zinc/28/92/11/462289211.db2.gz LTPQGKFFVFRBIS-VQTJNVASSA-N 2 0 347.572 3.241 10 0 EGAERP c1ccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657849244 462295482 /nfs/dbraw/zinc/29/54/82/462295482.db2.gz DTZKGMVKZFGMKU-IBGZPJMESA-N 2 0 347.572 3.464 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@H]1COC2(CCC2)C1 ZINC000657907027 462313332 /nfs/dbraw/zinc/31/33/32/462313332.db2.gz DYBBBMUUQOJXSA-ZHALLVOQSA-N 2 0 328.500 3.444 10 0 EGAERP CO[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000658071350 462367628 /nfs/dbraw/zinc/36/76/28/462367628.db2.gz HLGXLSLMDHNSQU-UEKLYDJUSA-N 2 0 346.515 3.071 10 0 EGAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CCc1nsc2ccccc12 ZINC000665275213 462379808 /nfs/dbraw/zinc/37/98/08/462379808.db2.gz FKHRNKJQAXZHHP-KDOFPFPSSA-N 2 0 325.481 3.387 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277225 462380036 /nfs/dbraw/zinc/38/00/36/462380036.db2.gz XAODXVIMWVOBQF-ACRUOGEOSA-N 3 0 341.543 3.396 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCCc3ccccc32)CC1 ZINC000665287660 462385766 /nfs/dbraw/zinc/38/57/66/462385766.db2.gz QYPFKGTUYJMCEK-HXUWFJFHSA-N 2 0 343.515 3.034 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658135852 462398875 /nfs/dbraw/zinc/39/88/75/462398875.db2.gz BDZPQHQYDOSRBG-KSSFIOAISA-N 2 0 346.421 3.382 10 0 EGAERP C[C@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137432 462400106 /nfs/dbraw/zinc/40/01/06/462400106.db2.gz GRESMZXLXUMEIL-CRAIPNDOSA-N 2 0 330.497 3.036 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)oc1C ZINC000658137181 462401045 /nfs/dbraw/zinc/40/10/45/462401045.db2.gz JMNOWEFPWBPLQD-KXBFYZLASA-N 2 0 328.456 3.314 10 0 EGAERP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138886 462401585 /nfs/dbraw/zinc/40/15/85/462401585.db2.gz ORWCPFSGVFJXLW-RHSMWYFYSA-N 2 0 344.421 3.464 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142195 462404623 /nfs/dbraw/zinc/40/46/23/462404623.db2.gz VDCDQPPRVIWVFR-TZIWHRDSSA-N 2 0 340.442 3.169 10 0 EGAERP C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143019 462405845 /nfs/dbraw/zinc/40/58/45/462405845.db2.gz GBDGLUVGURNLMR-AVRDEDQJSA-N 2 0 338.495 3.364 10 0 EGAERP CCN1C[C@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000652017091 462407717 /nfs/dbraw/zinc/40/77/17/462407717.db2.gz OEBBTNPVPOFRCM-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658144343 462407790 /nfs/dbraw/zinc/40/77/90/462407790.db2.gz LRQADRPKIKRZPQ-YADHBBJMSA-N 2 0 338.495 3.364 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000658257045 462445980 /nfs/dbraw/zinc/44/59/80/462445980.db2.gz YOAYQCRQCFGAQE-YLJYHZDGSA-N 2 0 330.516 3.080 10 0 EGAERP Cc1cncc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000658262364 462446951 /nfs/dbraw/zinc/44/69/51/462446951.db2.gz QZSPUFSOXINHPG-WKCHPHFGSA-N 2 0 336.483 3.113 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000646106134 462518492 /nfs/dbraw/zinc/51/84/92/462518492.db2.gz PSQLKZYOCIIILO-AABGKKOBSA-N 2 0 343.515 3.017 10 0 EGAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2csc(-c3ccccc3)n2)CC1 ZINC000344640658 535165032 /nfs/dbraw/zinc/16/50/32/535165032.db2.gz MQSXMTKRSIBKPX-UHFFFAOYSA-N 2 0 345.512 3.135 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(C(=O)NC)c2)CC1 ZINC000182783768 547084858 /nfs/dbraw/zinc/08/48/58/547084858.db2.gz FARVWHXDQCJFPL-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP C[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000317097996 547466480 /nfs/dbraw/zinc/46/64/80/547466480.db2.gz JVDQPNISVZIKOY-ZDUSSCGKSA-N 2 0 327.875 3.156 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@@H]3C2)[C@H]1c1cccs1 ZINC000339067058 547568724 /nfs/dbraw/zinc/56/87/24/547568724.db2.gz DXWSEZKRTLFARP-MTNOOBJLSA-N 2 0 333.545 3.347 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC(c4ccccc4)C3)cc2)C1 ZINC000658140000 548169940 /nfs/dbraw/zinc/16/99/40/548169940.db2.gz RRNWEEXHWLZZAE-HRTMPFAESA-N 2 0 336.479 3.289 10 0 EGAERP Cc1cc2c(cc1C)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCO2 ZINC000675742119 548971650 /nfs/dbraw/zinc/97/16/50/548971650.db2.gz KGLDTZZQOQAZLT-LJQANCHMSA-N 2 0 345.531 3.133 10 0 EGAERP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000677127497 549213382 /nfs/dbraw/zinc/21/33/82/549213382.db2.gz JUHNFBGBNVPVCS-ICFOKQHNSA-N 2 0 335.923 3.361 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(F)c1 ZINC000678115209 549399433 /nfs/dbraw/zinc/39/94/33/549399433.db2.gz UPMTZHVSVJLBDP-UKRRQHHQSA-N 2 0 339.886 3.298 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C(C)(C)C(=O)Nc1ccccc1 ZINC000680119878 549823658 /nfs/dbraw/zinc/82/36/58/549823658.db2.gz NRXPZMARLLJSOH-UHFFFAOYSA-N 2 0 349.438 3.083 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000682077792 550070251 /nfs/dbraw/zinc/07/02/51/550070251.db2.gz QRVXKVRLGWWPMG-NRFANRHFSA-N 2 0 327.516 3.164 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCSC2)CC1 ZINC000684111495 550292406 /nfs/dbraw/zinc/29/24/06/550292406.db2.gz XSDJKAIGKLSTHZ-KRWDZBQOSA-N 2 0 333.545 3.061 10 0 EGAERP c1cc(COc2ccc(C[NH2+]C[C@H]3CC[N@@H+](C4CC4)C3)cc2)ccn1 ZINC000075780431 1292411099 /nfs/dbraw/zinc/41/10/99/1292411099.db2.gz ABAAIFRQHMJKGX-LJQANCHMSA-N 2 0 337.467 3.235 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000091062312 1292812739 /nfs/dbraw/zinc/81/27/39/1292812739.db2.gz ICBLNCQBIDJWPP-UHFFFAOYSA-N 2 0 345.531 3.020 10 0 EGAERP COc1cc(Br)ccc1C[N@@H+]1CCC2(C1)CC[NH2+]CC2 ZINC000261681683 1296597789 /nfs/dbraw/zinc/59/77/89/1296597789.db2.gz AGZBTGPUEBRQQZ-UHFFFAOYSA-N 2 0 339.277 3.033 10 0 EGAERP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000872019957 1296662310 /nfs/dbraw/zinc/66/23/10/1296662310.db2.gz AYQRXMZENBLVJJ-HNNXBMFYSA-N 2 0 344.425 3.044 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(O)c1F ZINC000872037679 1296687928 /nfs/dbraw/zinc/68/79/28/1296687928.db2.gz DRBIIPMQRYKRBC-MRXNPFEDSA-N 2 0 349.494 3.132 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155627 1296772327 /nfs/dbraw/zinc/77/23/27/1296772327.db2.gz WZBFNLYKQKJYTB-AWEZNQCLSA-N 2 0 325.884 3.426 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000873223345 1297365081 /nfs/dbraw/zinc/36/50/81/1297365081.db2.gz NMTBVVJKFUSCDM-DIYNQGNDSA-N 2 0 347.300 3.065 10 0 EGAERP Brc1sccc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000388738393 1297604574 /nfs/dbraw/zinc/60/45/74/1297604574.db2.gz IHNASMVFWQJWHX-UHFFFAOYSA-N 2 0 329.307 3.476 10 0 EGAERP OC1(C[NH2+]Cc2c[nH]c3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000397550150 1297701158 /nfs/dbraw/zinc/70/11/58/1297701158.db2.gz SDTKFYMEOKKXHT-UHFFFAOYSA-N 2 0 349.478 3.285 10 0 EGAERP O[C@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000397552189 1297701289 /nfs/dbraw/zinc/70/12/89/1297701289.db2.gz XPFQLWNERKENGZ-OAQYLSRUSA-N 2 0 342.458 3.361 10 0 EGAERP CC(C)[C@@H](CN(C)Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000397994307 1297707928 /nfs/dbraw/zinc/70/79/28/1297707928.db2.gz BJPDQNFJJMWCEY-OTYNDTSQSA-N 2 0 329.532 3.358 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)C1CC[NH2+]CC1 ZINC000400701586 1297731371 /nfs/dbraw/zinc/73/13/71/1297731371.db2.gz BXUKZHOALRJGGP-STQMWFEESA-N 2 0 325.294 3.358 10 0 EGAERP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@H]1CC[NH2+]C(C)(C)C1 ZINC000719964891 1298325406 /nfs/dbraw/zinc/32/54/06/1298325406.db2.gz ZJJFPOKCURWNOP-FQEVSTJZSA-N 3 0 329.532 3.361 10 0 EGAERP CC[C@H](C)[C@@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886526096 1303487359 /nfs/dbraw/zinc/48/73/59/1303487359.db2.gz FDCDPLKFHRWVAD-RQUKQETFSA-N 2 0 330.516 3.426 10 0 EGAERP C[C@@H](CC(=O)O[C@@H](C[N@H+](C)Cc1ccccc1)C1CC1)n1ccnc1 ZINC000893696355 1306032900 /nfs/dbraw/zinc/03/29/00/1306032900.db2.gz GWMSKLNGVGDBAI-LPHOPBHVSA-N 2 0 341.455 3.288 10 0 EGAERP CCc1[nH]c(C[NH2+]Cc2cccc(C[N@@H+](C)CC)c2)cc1C(=O)OC ZINC000894242102 1306298678 /nfs/dbraw/zinc/29/86/78/1306298678.db2.gz SBAOXKFOAPHWPC-UHFFFAOYSA-N 2 0 343.471 3.105 10 0 EGAERP COCc1c(C)cc(C)c(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000895351980 1309295193 /nfs/dbraw/zinc/29/51/93/1309295193.db2.gz LABFLMKWCJKKQB-IBGZPJMESA-N 2 0 348.531 3.301 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858119065 1328687456 /nfs/dbraw/zinc/68/74/56/1328687456.db2.gz LDJWMZHNRKXRNO-CVEARBPZSA-N 2 0 339.524 3.096 10 0 EGAERP CC(C)N(CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858129711 1328690213 /nfs/dbraw/zinc/69/02/13/1328690213.db2.gz PEUQZYMCRDYKPH-MRXNPFEDSA-N 2 0 341.540 3.484 10 0 EGAERP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133109 1328691894 /nfs/dbraw/zinc/69/18/94/1328691894.db2.gz KTQJCJLHPMWYHL-CVEARBPZSA-N 2 0 341.540 3.388 10 0 EGAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000930117723 1328790128 /nfs/dbraw/zinc/79/01/28/1328790128.db2.gz WHUACIFZNTWRMO-JKSUJKDBSA-N 2 0 330.394 3.290 10 0 EGAERP Cn1nc2c(c1C[NH2+]Cc1ccc(C[NH+]3CCCCC3)cc1)CCC2 ZINC000921508677 1322333231 /nfs/dbraw/zinc/33/32/31/1322333231.db2.gz XYQCHYRGXZVNIO-UHFFFAOYSA-N 2 0 338.499 3.185 10 0 EGAERP CCc1[nH]nc(Cl)c1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000922316079 1322499040 /nfs/dbraw/zinc/49/90/40/1322499040.db2.gz IRHHYHOIRVAQCW-UHFFFAOYSA-N 2 0 346.906 3.379 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@@H]2CCC3(CCC3)O2)cc1 ZINC000922970029 1322665550 /nfs/dbraw/zinc/66/55/50/1322665550.db2.gz ZMFHBFGYRSIMEG-IBGZPJMESA-N 2 0 332.488 3.208 10 0 EGAERP c1nc2ccccc2n1C[C@@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923372606 1322742073 /nfs/dbraw/zinc/74/20/73/1322742073.db2.gz HSWRZZVVISVIFB-IPQPSQTFSA-N 2 0 338.499 3.421 10 0 EGAERP CN1CC[C@@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000923378192 1322742162 /nfs/dbraw/zinc/74/21/62/1322742162.db2.gz IYCKPZZUQOAZBT-HZQQKPRPSA-N 2 0 349.469 3.220 10 0 EGAERP C[C@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000923375820 1322742333 /nfs/dbraw/zinc/74/23/33/1322742333.db2.gz GAVIGNDXWMFPEB-HNNXBMFYSA-N 2 0 338.455 3.127 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)cc1Cl)CC2 ZINC000923449639 1322753724 /nfs/dbraw/zinc/75/37/24/1322753724.db2.gz PNYIGYVEKACFIX-CQSZACIVSA-N 2 0 329.271 3.323 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(Cl)ccc1Cl)CC2 ZINC000923451395 1322754222 /nfs/dbraw/zinc/75/42/22/1322754222.db2.gz ATMKBSQSDLBVEA-AWEZNQCLSA-N 2 0 329.271 3.323 10 0 EGAERP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499352 1322762612 /nfs/dbraw/zinc/76/26/12/1322762612.db2.gz MYUWQBHVSOZXSL-MPGHIAIKSA-N 2 0 331.504 3.055 10 0 EGAERP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)cs2)cc1 ZINC000923501280 1322763743 /nfs/dbraw/zinc/76/37/43/1322763743.db2.gz PRZCGMJECGPSPH-HIFRSBDPSA-N 2 0 331.485 3.235 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924962749 1323229342 /nfs/dbraw/zinc/22/93/42/1323229342.db2.gz GFSXIODQXRUYEZ-OAHLLOKOSA-N 2 0 338.293 3.153 10 0 EGAERP Cn1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000925075996 1323268143 /nfs/dbraw/zinc/26/81/43/1323268143.db2.gz VKLAXVRHAYNPQZ-FXAWDEMLSA-N 2 0 344.478 3.122 10 0 EGAERP CC(C)Oc1ccc(CN2CCC([N@@H+]3CCCOCC3)CC2)cc1 ZINC000931290131 1329086997 /nfs/dbraw/zinc/08/69/97/1329086997.db2.gz IMTYDAZDLPLXIV-UHFFFAOYSA-N 2 0 332.488 3.161 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[NH+]1C[C@H]2CC[N@@H+](C)C[C@H]2C1 ZINC000931439297 1329118488 /nfs/dbraw/zinc/11/84/88/1329118488.db2.gz UAJCLNQTCKJOOE-MOPGFXCFSA-N 2 0 340.515 3.399 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC(OCc3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000931684468 1329164133 /nfs/dbraw/zinc/16/41/33/1329164133.db2.gz SQVGWNXXQFFIAW-MDMXATFFSA-N 2 0 337.467 3.340 10 0 EGAERP CCOc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])C23CCC3)ccc1OC(F)F ZINC000925477305 1325167458 /nfs/dbraw/zinc/16/74/58/1325167458.db2.gz PTBWROMYJIPYCM-HUUCEWRRSA-N 2 0 326.387 3.046 10 0 EGAERP COc1ccccc1[C@H](CN[C@H]1CC[NH2+]C12CCCC2)[NH+]1CCCC1 ZINC000925500154 1325179401 /nfs/dbraw/zinc/17/94/01/1325179401.db2.gz AHFRZMIBLLAZMO-ICSRJNTNSA-N 2 0 343.515 3.096 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000925508251 1325182969 /nfs/dbraw/zinc/18/29/69/1325182969.db2.gz PQWVLWDPQZRSOZ-ROUUACIJSA-N 2 0 334.479 3.370 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(OC)c1 ZINC000925513759 1325185544 /nfs/dbraw/zinc/18/55/44/1325185544.db2.gz AUKIGKMJQMZGRZ-RTBURBONSA-N 2 0 332.488 3.004 10 0 EGAERP C[NH+](C)CCOc1cccc(N[C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925572535 1325216135 /nfs/dbraw/zinc/21/61/35/1325216135.db2.gz JHKYJFNUEHBBKJ-VQTJNVASSA-N 2 0 331.504 3.207 10 0 EGAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925620809 1325235315 /nfs/dbraw/zinc/23/53/15/1325235315.db2.gz BHEGFOAHRMQGBO-WOJBJXKFSA-N 3 0 339.483 3.271 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000925641904 1325243668 /nfs/dbraw/zinc/24/36/68/1325243668.db2.gz CVNPLNXZIJILER-UONOGXRCSA-N 2 0 345.409 3.061 10 0 EGAERP [NH3+]CCC[C@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccccc1 ZINC000925653446 1325248891 /nfs/dbraw/zinc/24/88/91/1325248891.db2.gz HAYCRNDLWDKFLM-AABGKKOBSA-N 2 0 343.515 3.237 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000925787044 1325302478 /nfs/dbraw/zinc/30/24/78/1325302478.db2.gz YTXIAQOTUAAULF-DOMZBBRYSA-N 2 0 339.386 3.065 10 0 EGAERP c1cc(CN2CCC([NH2+]CCCCCC3CC[NH2+]CC3)CC2)ccn1 ZINC000925817819 1325314564 /nfs/dbraw/zinc/31/45/64/1325314564.db2.gz RGTIMEFOIGWWMJ-UHFFFAOYSA-N 2 0 344.547 3.196 10 0 EGAERP CC(C)[C@@H]1C[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925849656 1325329820 /nfs/dbraw/zinc/32/98/20/1325329820.db2.gz JNPKIJIUCZNCRD-MNEFBYGVSA-N 2 0 342.483 3.146 10 0 EGAERP CC(C)C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925854339 1325331909 /nfs/dbraw/zinc/33/19/09/1325331909.db2.gz RINVVLWZQQFRLC-ZWKOTPCHSA-N 2 0 330.472 3.049 10 0 EGAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)n1 ZINC000925874125 1325338873 /nfs/dbraw/zinc/33/88/73/1325338873.db2.gz WDUYCJJADZVNNF-IXDOHACOSA-N 2 0 328.460 3.338 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2cc(Br)cc3F)C1 ZINC000925876317 1325339294 /nfs/dbraw/zinc/33/92/94/1325339294.db2.gz UFCHUXPIIWMSNH-ISOBSLSZSA-N 2 0 327.241 3.293 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3c(Br)cccc32)C1 ZINC000925876371 1325340192 /nfs/dbraw/zinc/34/01/92/1325340192.db2.gz WDYSAYDAICOKNO-ZOWXZIJZSA-N 2 0 339.277 3.380 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000925880585 1325340827 /nfs/dbraw/zinc/34/08/27/1325340827.db2.gz TUKMSHQEMBHKQD-SRHPJPHMSA-N 3 0 327.516 3.147 10 0 EGAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000925883412 1325342608 /nfs/dbraw/zinc/34/26/08/1325342608.db2.gz WEAQXVSCKMDEDN-MDZRGWNJSA-N 3 0 333.520 3.315 10 0 EGAERP COC[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000925886372 1325342915 /nfs/dbraw/zinc/34/29/15/1325342915.db2.gz FQWIZMLVPVRZFH-AHRSYUTCSA-N 2 0 346.421 3.301 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccnnc1 ZINC000926135232 1325442544 /nfs/dbraw/zinc/44/25/44/1325442544.db2.gz BBOONMOTIFXFQG-LLUDDFSJSA-N 2 0 336.483 3.428 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC2(C[NH+](C)C)CCCC2)n(C)n1 ZINC000926168994 1325455755 /nfs/dbraw/zinc/45/57/55/1325455755.db2.gz CDIXJSXZTMDGLR-HKUYNNGSSA-N 2 0 332.536 3.151 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n(C)n1 ZINC000926337459 1325519664 /nfs/dbraw/zinc/51/96/64/1325519664.db2.gz PFNFBXHOFMFVTN-CLPROHDKSA-N 2 0 330.520 3.046 10 0 EGAERP CSC1(C[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)CC[NH+](C)CC1 ZINC000926447933 1325558028 /nfs/dbraw/zinc/55/80/28/1325558028.db2.gz IRUSPAUEUSQAIO-SJLPKXTDSA-N 2 0 333.545 3.210 10 0 EGAERP Cn1cnc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000926562638 1327618044 /nfs/dbraw/zinc/61/80/44/1327618044.db2.gz ZICVAOYTQJTRQT-SEJPIABJSA-N 2 0 338.499 3.138 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)C2)CO1 ZINC000926777576 1327711859 /nfs/dbraw/zinc/71/18/59/1327711859.db2.gz KGVMKIKEFSOUIO-UMCPIABWSA-N 2 0 328.500 3.302 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+]CCOC(F)(F)C(F)(F)F)CC1 ZINC000926832037 1327735775 /nfs/dbraw/zinc/73/57/75/1327735775.db2.gz VKJIOKCMXMKZFR-UHFFFAOYSA-N 2 0 332.357 3.258 10 0 EGAERP C[C@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000926902633 1327765548 /nfs/dbraw/zinc/76/55/48/1327765548.db2.gz ZUBIFRCPRBTOMF-LAUBAEHRSA-N 2 0 340.515 3.487 10 0 EGAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036576 1327826440 /nfs/dbraw/zinc/82/64/40/1327826440.db2.gz DBIDDANAQUQMMK-ZJRDLVKKSA-N 2 0 335.536 3.164 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@@]3(C)CCCS3)C2)ccn1 ZINC000862423262 1329485252 /nfs/dbraw/zinc/48/52/52/1329485252.db2.gz QKCMKXVAPVXCHY-RBUKOAKNSA-N 2 0 349.544 3.272 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C[C@@H]1CCCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482238 1329489949 /nfs/dbraw/zinc/48/99/49/1329489949.db2.gz FURPEANQCBQRGF-IRXDYDNUSA-N 2 0 341.540 3.247 10 0 EGAERP CC(C)C[C@H](C[NH2+]C[C@H]1CCCC[N@H+](C)C1)NC(=O)OC(C)(C)C ZINC000862482205 1329490333 /nfs/dbraw/zinc/49/03/33/1329490333.db2.gz FURPEANQCBQRGF-IAGOWNOFSA-N 2 0 341.540 3.247 10 0 EGAERP FC(F)n1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000863545077 1329562533 /nfs/dbraw/zinc/56/25/33/1329562533.db2.gz GSMBUCWHVWPWON-GVDBMIGSSA-N 2 0 349.425 3.283 10 0 EGAERP CC(=O)NCC1CCC([NH2+]CC(C)(C)[NH+]2C[C@@H](C)C[C@H](C)C2)CC1 ZINC000865428646 1329696054 /nfs/dbraw/zinc/69/60/54/1329696054.db2.gz XYPHPMWBTFXZNR-XYCLOBBJSA-N 2 0 337.552 3.027 10 0 EGAERP CC(=O)NCC1CCC([NH2+]C2CCC([NH+]3CCCCC3)CC2)CC1 ZINC000865484283 1329703879 /nfs/dbraw/zinc/70/38/79/1329703879.db2.gz DYJMTQGQIWGFNL-UHFFFAOYSA-N 2 0 335.536 3.068 10 0 EGAERP C[N@@H+]1C[C@@H]2CN(Cc3ccc(OCc4ccncc4)cc3)C[C@]2(C)C1 ZINC000933739996 1329918372 /nfs/dbraw/zinc/91/83/72/1329918372.db2.gz FRPMROQOBOYGOW-CTNGQTDRSA-N 2 0 337.467 3.044 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866228013 1330081062 /nfs/dbraw/zinc/08/10/62/1330081062.db2.gz YAHPOXJYFIROJL-HXUWFJFHSA-N 2 0 337.511 3.443 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866233824 1330081882 /nfs/dbraw/zinc/08/18/82/1330081882.db2.gz YUYAFEZEFOEZGE-QINHECLXSA-N 2 0 333.495 3.065 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000866289738 1330091238 /nfs/dbraw/zinc/09/12/38/1330091238.db2.gz JGVJXWLUNWWEJT-UXHICEINSA-N 2 0 329.488 3.235 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866538387 1330123672 /nfs/dbraw/zinc/12/36/72/1330123672.db2.gz RNRCPRLHVKCQTL-LRQRDZAKSA-N 2 0 346.515 3.340 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@@H]2c2cncc(C)c2)cc1 ZINC000866719711 1330144665 /nfs/dbraw/zinc/14/46/65/1330144665.db2.gz BWXXHSLNUAMZDD-UYAOXDASSA-N 2 0 325.456 3.278 10 0 EGAERP C[NH+](C)CCc1ccccc1C(=O)NCC1([NH2+]CCC(C)(C)C)CC1 ZINC001323500003 1387378525 /nfs/dbraw/zinc/37/85/25/1387378525.db2.gz ARYCJKXWDNILBT-UHFFFAOYSA-N 2 0 345.531 3.079 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001324496027 1387649649 /nfs/dbraw/zinc/64/96/49/1387649649.db2.gz SPRNETOQMUMAPD-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001324658368 1387720270 /nfs/dbraw/zinc/72/02/70/1387720270.db2.gz VIFPYXFPMNZLJF-GHTZIAJQSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001324791381 1387774459 /nfs/dbraw/zinc/77/44/59/1387774459.db2.gz WBGCSSWQVHPJOY-ICSRJNTNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC1CCCC1)C2 ZINC001325351732 1387947588 /nfs/dbraw/zinc/94/75/88/1387947588.db2.gz NQISAKKOLZYQNP-ZCNNSNEGSA-N 2 0 349.563 3.266 10 0 EGAERP COCC[N@@H+](Cc1cc(Cl)ccc1F)CC1CC[NH+](C)CC1 ZINC001196782462 1368684159 /nfs/dbraw/zinc/68/41/59/1368684159.db2.gz RELFXZBZQXEAKU-UHFFFAOYSA-N 2 0 328.859 3.269 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CC=C(C)C)CC2)CC[N@@H+]1C ZINC001325656893 1388023194 /nfs/dbraw/zinc/02/31/94/1388023194.db2.gz YVURJYLJWJLJMZ-LWYYNNOASA-N 2 0 349.563 3.195 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCn1ccnc1 ZINC001325894345 1388067789 /nfs/dbraw/zinc/06/77/89/1388067789.db2.gz APSLISIGUVJDDV-NYQZOWANSA-N 2 0 344.503 3.085 10 0 EGAERP COc1ccc(C[C@@H](C)[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001118636434 1371209350 /nfs/dbraw/zinc/20/93/50/1371209350.db2.gz PRAVRZHKODSRLA-MRXNPFEDSA-N 2 0 336.439 3.339 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC001119623462 1371377482 /nfs/dbraw/zinc/37/74/82/1371377482.db2.gz IHOUNKCGIIGDBV-OAHLLOKOSA-N 2 0 343.446 3.134 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC001326470231 1388205992 /nfs/dbraw/zinc/20/59/92/1388205992.db2.gz ZGHSJOACRFDFKX-FXAWDEMLSA-N 2 0 345.531 3.484 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326479567 1388209274 /nfs/dbraw/zinc/20/92/74/1388209274.db2.gz IOBRJUOIYACXGF-RSLBVYTFSA-N 2 0 343.515 3.404 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])CCCC1)c1ccccc1 ZINC001326687779 1388283477 /nfs/dbraw/zinc/28/34/77/1388283477.db2.gz LBCWERUNANQJLJ-WDSOQIARSA-N 2 0 343.515 3.284 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327164844 1388418375 /nfs/dbraw/zinc/41/83/75/1388418375.db2.gz XMJFILVQHLFNCS-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001264121949 1377140025 /nfs/dbraw/zinc/14/00/25/1377140025.db2.gz CSXIQKPECZFGKQ-ROUUACIJSA-N 2 0 325.541 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001265707852 1377162802 /nfs/dbraw/zinc/16/28/02/1377162802.db2.gz GRIZZWJSDKTCOO-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001265707853 1377162818 /nfs/dbraw/zinc/16/28/18/1377162818.db2.gz GRIZZWJSDKTCOO-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001265793899 1377166372 /nfs/dbraw/zinc/16/63/72/1377166372.db2.gz CNMWNSZGLLJXHU-AWEZNQCLSA-N 2 0 330.476 3.177 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119511 1377195314 /nfs/dbraw/zinc/19/53/14/1377195314.db2.gz GSELDDULLJULKH-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001327299939 1388491744 /nfs/dbraw/zinc/49/17/44/1388491744.db2.gz RDSJKKVNVXNQFR-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001266741031 1377371079 /nfs/dbraw/zinc/37/10/79/1377371079.db2.gz HZEORJXBPDBBGX-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001266842678 1377391284 /nfs/dbraw/zinc/39/12/84/1377391284.db2.gz SDXHRFBMXVKUCL-YSKLNCTFSA-N 2 0 335.536 3.186 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001136465792 1377396686 /nfs/dbraw/zinc/39/66/86/1377396686.db2.gz VWYMINKZLOMGDL-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@H+](CC)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250334 1377431634 /nfs/dbraw/zinc/43/16/34/1377431634.db2.gz KJZYMUXXKVJCRN-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001267386607 1377444021 /nfs/dbraw/zinc/44/40/21/1377444021.db2.gz OBGKDTRTFDFMPX-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1=CCCCC1 ZINC001267393574 1377444219 /nfs/dbraw/zinc/44/42/19/1377444219.db2.gz LZUKQJXYAKZKOF-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001267831526 1377473493 /nfs/dbraw/zinc/47/34/93/1377473493.db2.gz RGFPBPOCWOTFOC-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001268589947 1377513659 /nfs/dbraw/zinc/51/36/59/1377513659.db2.gz AIHPRZSZIDHURA-ZEVQVBBLSA-N 2 0 345.531 3.296 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)c1ccccc1 ZINC001269544915 1377558363 /nfs/dbraw/zinc/55/83/63/1377558363.db2.gz XKOGZRUFSYRBOW-MOPGFXCFSA-N 2 0 343.515 3.251 10 0 EGAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001270850674 1377615848 /nfs/dbraw/zinc/61/58/48/1377615848.db2.gz CCGNZOWJSKYSOX-PXPVJAHISA-N 2 0 347.547 3.142 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001327448386 1388521901 /nfs/dbraw/zinc/52/19/01/1388521901.db2.gz ANKOTHOHLWJIPK-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001327467197 1388526727 /nfs/dbraw/zinc/52/67/27/1388526727.db2.gz JPYXJOOZZANDHO-UHFFFAOYSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCC1 ZINC001273166337 1378090587 /nfs/dbraw/zinc/09/05/87/1378090587.db2.gz OYFYOEYYWLWQLH-QGZVFWFLSA-N 2 0 349.544 3.140 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001327492638 1388535301 /nfs/dbraw/zinc/53/53/01/1388535301.db2.gz MBZBZWXMPJKDNR-CALCHBBNSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282653847 1378525726 /nfs/dbraw/zinc/52/57/26/1378525726.db2.gz USKKVRUQEDMEGT-VQTJNVASSA-N 2 0 345.531 3.020 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001282653850 1378525873 /nfs/dbraw/zinc/52/58/73/1378525873.db2.gz USKKVRUQEDMEGT-WOJBJXKFSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001282736385 1378586727 /nfs/dbraw/zinc/58/67/27/1378586727.db2.gz BLOIRAIEQYAPID-VQIMIIECSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001283187011 1378756438 /nfs/dbraw/zinc/75/64/38/1378756438.db2.gz RXATTWSOEREYNC-IRXDYDNUSA-N 2 0 331.504 3.106 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC(C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001283234073 1378767901 /nfs/dbraw/zinc/76/79/01/1378767901.db2.gz YYHWDLDNSZWMLS-ADKAHSJRSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CC2CCCC2)CC1 ZINC001283258573 1378774196 /nfs/dbraw/zinc/77/41/96/1378774196.db2.gz BGAJEENFTXFLAR-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH+]1CCC(C(=O)N2CC[NH+](C3CCC(C)CC3)CC2)CC1 ZINC001146821603 1378928772 /nfs/dbraw/zinc/92/87/72/1378928772.db2.gz FOTWMPAPQBLYNB-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001283613623 1379053880 /nfs/dbraw/zinc/05/38/80/1379053880.db2.gz YOBJVXZSXQUGAY-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001283619126 1379057979 /nfs/dbraw/zinc/05/79/79/1379057979.db2.gz YOOFRAJZTNRWMU-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001283624157 1379062034 /nfs/dbraw/zinc/06/20/34/1379062034.db2.gz ZJEUBHSRSKWCPX-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001283629495 1379065185 /nfs/dbraw/zinc/06/51/85/1379065185.db2.gz JJXVJYJJTUTAGQ-MJGOQNOKSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001283664967 1379094005 /nfs/dbraw/zinc/09/40/05/1379094005.db2.gz QQKUNWPLCXJRFW-ROUUACIJSA-N 2 0 345.531 3.143 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001283725111 1379147426 /nfs/dbraw/zinc/14/74/26/1379147426.db2.gz XEAHPNFPRKVUBD-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@H]12 ZINC001284066155 1379422007 /nfs/dbraw/zinc/42/20/07/1379422007.db2.gz FFPGBSMQOVBOHC-BBTUJRGHSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001284067066 1379424719 /nfs/dbraw/zinc/42/47/19/1379424719.db2.gz JWJNTNNVCQDSNV-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001284072466 1379437193 /nfs/dbraw/zinc/43/71/93/1379437193.db2.gz RPUUYKMMLRQUFJ-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001284098073 1379466053 /nfs/dbraw/zinc/46/60/53/1379466053.db2.gz WVZYPLHGKSAOPE-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001284293163 1379681548 /nfs/dbraw/zinc/68/15/48/1379681548.db2.gz MUDXRIGZKSXGGX-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297484 1379685275 /nfs/dbraw/zinc/68/52/75/1379685275.db2.gz URLGYJUXLJDDOI-IRXDYDNUSA-N 2 0 337.552 3.122 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001284554053 1379963006 /nfs/dbraw/zinc/96/30/06/1379963006.db2.gz YFPUHUILBQFVBE-GOSISDBHSA-N 2 0 339.568 3.322 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(C)C)[NH+](C)C ZINC001284554082 1379963142 /nfs/dbraw/zinc/96/31/42/1379963142.db2.gz YRTRIYRYIOZKTC-WOJBJXKFSA-N 2 0 345.531 3.183 10 0 EGAERP CCCCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001284603784 1380004149 /nfs/dbraw/zinc/00/41/49/1380004149.db2.gz JYEYQYMPLOXDCK-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001284624496 1380024996 /nfs/dbraw/zinc/02/49/96/1380024996.db2.gz HARSDMSIBSKLRZ-AEFFLSMTSA-N 2 0 333.520 3.128 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001284632347 1380037333 /nfs/dbraw/zinc/03/73/33/1380037333.db2.gz RSIGZTVKJCBVQZ-INIZCTEOSA-N 2 0 327.557 3.131 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001284723216 1380144033 /nfs/dbraw/zinc/14/40/33/1380144033.db2.gz IPSCOVIRAVNKQC-DNHKSYLJSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001328050599 1388654206 /nfs/dbraw/zinc/65/42/06/1388654206.db2.gz OYWYWAJSYKQRKU-HDICACEKSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001328083031 1388664871 /nfs/dbraw/zinc/66/48/71/1388664871.db2.gz RUSGNRXDWWNTKB-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001328097936 1388669594 /nfs/dbraw/zinc/66/95/94/1388669594.db2.gz JKSXLDQGAGBZAH-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CC[NH+](C(C)C)CC1(C)C)c1ccccc1 ZINC001328099359 1388671551 /nfs/dbraw/zinc/67/15/51/1388671551.db2.gz UMGDQMBWQJIKHZ-RBUKOAKNSA-N 2 0 345.531 3.305 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001328284344 1388715205 /nfs/dbraw/zinc/71/52/05/1388715205.db2.gz ONBXITZUEURVGZ-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001328351689 1388727708 /nfs/dbraw/zinc/72/77/08/1388727708.db2.gz JZHVZNKZDNMEGF-ROUUACIJSA-N 2 0 345.531 3.333 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001328586340 1388782188 /nfs/dbraw/zinc/78/21/88/1388782188.db2.gz AKKSFIKRALJJDO-SFHVURJKSA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@@H+]1CCC[C@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC001328789687 1388864835 /nfs/dbraw/zinc/86/48/35/1388864835.db2.gz VTRMBKHTEYBZSA-MRXNPFEDSA-N 2 0 337.471 3.141 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)[C@H]1C ZINC001300230503 1383654789 /nfs/dbraw/zinc/65/47/89/1383654789.db2.gz ZOBWCPKMYQSFSN-YDZRNGNQSA-N 2 0 345.531 3.084 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCN1CCN(C(=O)OC(C)(C)C)CCC1(C)C ZINC001308013636 1384074036 /nfs/dbraw/zinc/07/40/36/1384074036.db2.gz ABBRUBSGIUWVON-MRXNPFEDSA-N 2 0 339.524 3.192 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC001171155660 1384456446 /nfs/dbraw/zinc/45/64/46/1384456446.db2.gz HZPZJOYSLCNSES-MRXNPFEDSA-N 2 0 339.524 3.240 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601462 1384468094 /nfs/dbraw/zinc/46/80/94/1384468094.db2.gz PWDQUSPNVGNYPW-ROUUACIJSA-N 2 0 337.552 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001316603872 1384471848 /nfs/dbraw/zinc/47/18/48/1384471848.db2.gz CIQLDDOXNGLTOT-OALUTQOASA-N 2 0 345.531 3.239 10 0 EGAERP CC(C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCCCCF)C1)[NH+](C)C ZINC001316773030 1384571188 /nfs/dbraw/zinc/57/11/88/1384571188.db2.gz RTSNAGOMQWIOSN-QZTJIDSGSA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001316775063 1384574315 /nfs/dbraw/zinc/57/43/15/1384574315.db2.gz WONLRYFUSCILBT-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001316790327 1384583757 /nfs/dbraw/zinc/58/37/57/1384583757.db2.gz CHPIBLLFNJGHKF-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C)[NH+](CC)CC ZINC001316792821 1384586073 /nfs/dbraw/zinc/58/60/73/1384586073.db2.gz MQMCWGPYVPLKGU-IKGGRYGDSA-N 2 0 325.541 3.122 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C/C=C\Cl)[NH+](CC)CC ZINC001316804441 1384594245 /nfs/dbraw/zinc/59/42/45/1384594245.db2.gz LCNBRVMQCNTLDY-YWXYRXPLSA-N 2 0 343.943 3.172 10 0 EGAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001316833646 1384624729 /nfs/dbraw/zinc/62/47/29/1384624729.db2.gz FEDMVELWUNOCQH-QGZVFWFLSA-N 2 0 347.528 3.180 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001316843286 1384633013 /nfs/dbraw/zinc/63/30/13/1384633013.db2.gz BHAOXJBMDHNHNI-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316875494 1384660621 /nfs/dbraw/zinc/66/06/21/1384660621.db2.gz AFCQOHNTGXZFAY-XZZFYQAUSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001316915452 1384685425 /nfs/dbraw/zinc/68/54/25/1384685425.db2.gz XXCTUAWXYFRHOJ-FXAWDEMLSA-N 2 0 343.515 3.121 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001316915455 1384685804 /nfs/dbraw/zinc/68/58/04/1384685804.db2.gz XXCTUAWXYFRHOJ-YLJYHZDGSA-N 2 0 343.515 3.121 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316983966 1384741415 /nfs/dbraw/zinc/74/14/15/1384741415.db2.gz ZADDRFVMUTWWRM-HKUYNNGSSA-N 2 0 335.536 3.164 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001316997140 1384753989 /nfs/dbraw/zinc/75/39/89/1384753989.db2.gz CKNBVPBXZXMSRZ-MSOLQXFVSA-N 2 0 335.536 3.020 10 0 EGAERP CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001317005282 1384765977 /nfs/dbraw/zinc/76/59/77/1384765977.db2.gz GYHHKHNRVXSSPE-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317050858 1384827306 /nfs/dbraw/zinc/82/73/06/1384827306.db2.gz ZIIJSFKOILPKQY-ZCNNSNEGSA-N 2 0 349.563 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001317077474 1384842790 /nfs/dbraw/zinc/84/27/90/1384842790.db2.gz HNQLHHOOXIFCND-FHWLQOOXSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001317097895 1384860016 /nfs/dbraw/zinc/86/00/16/1384860016.db2.gz HMMJFCLZTMYQBH-NXEWRWPSSA-N 2 0 349.563 3.265 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3=CCCCC3)CC[C@H]21 ZINC001317100900 1384864408 /nfs/dbraw/zinc/86/44/08/1384864408.db2.gz ZAIGIWJDBBQRKA-VQTJNVASSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317102948 1384866819 /nfs/dbraw/zinc/86/68/19/1384866819.db2.gz CSZOYFUXPOBLFW-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001317121480 1384879602 /nfs/dbraw/zinc/87/96/02/1384879602.db2.gz IHDKXNOHCLJKIJ-AHRSYUTCSA-N 2 0 345.531 3.450 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317124449 1384882269 /nfs/dbraw/zinc/88/22/69/1384882269.db2.gz MPRFXASJVBKUAM-GBESFXJTSA-N 2 0 345.531 3.333 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001317142706 1384911902 /nfs/dbraw/zinc/91/19/02/1384911902.db2.gz GHKHKWGBEXPQBR-UXHICEINSA-N 2 0 347.547 3.047 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317171486 1384938406 /nfs/dbraw/zinc/93/84/06/1384938406.db2.gz BHTTZKCYXMBHJX-IOIJZZRGSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001317173833 1384943275 /nfs/dbraw/zinc/94/32/75/1384943275.db2.gz QQVNPDWHLVKYPI-WYNBNGFRSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205861 1384982115 /nfs/dbraw/zinc/98/21/15/1384982115.db2.gz BJJQDHFWLCEBAO-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001317209572 1384987722 /nfs/dbraw/zinc/98/77/22/1384987722.db2.gz SRCROMCFPRYWOY-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]C/C=C\c2ccccc2)CC1 ZINC001317221235 1385001570 /nfs/dbraw/zinc/00/15/70/1385001570.db2.gz BQKQQEVPDBPTAF-YFHOEESVSA-N 2 0 343.515 3.057 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)[NH2+]CCCC1CCCC1)[NH+]1CCCCCC1 ZINC001317270670 1385041339 /nfs/dbraw/zinc/04/13/39/1385041339.db2.gz JQWVSKPUNNOVSY-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317293180 1385066012 /nfs/dbraw/zinc/06/60/12/1385066012.db2.gz FFGPLWNCCYBMOL-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001317396535 1385113118 /nfs/dbraw/zinc/11/31/18/1385113118.db2.gz PFVXTTCAFWPAEZ-QFBILLFUSA-N 2 0 349.563 3.314 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317402168 1385116745 /nfs/dbraw/zinc/11/67/45/1385116745.db2.gz UYFKGXQOSUWQQA-KRWDZBQOSA-N 2 0 345.531 3.108 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1=CCCCC1 ZINC001317478250 1385174016 /nfs/dbraw/zinc/17/40/16/1385174016.db2.gz DEPUQBSPEKOLHE-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001317504943 1385210070 /nfs/dbraw/zinc/21/00/70/1385210070.db2.gz KTQAHJHUMBIXDE-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317517224 1385233529 /nfs/dbraw/zinc/23/35/29/1385233529.db2.gz RUWKTZFHIQYHRB-CRAIPNDOSA-N 2 0 349.906 3.077 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317519894 1385238304 /nfs/dbraw/zinc/23/83/04/1385238304.db2.gz HLQGZPHCWAKENL-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001317547023 1385297756 /nfs/dbraw/zinc/29/77/56/1385297756.db2.gz UFTRKBYXBVGECY-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001317551350 1385311216 /nfs/dbraw/zinc/31/12/16/1385311216.db2.gz KNJKNHHIJABXCD-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001317683154 1385392721 /nfs/dbraw/zinc/39/27/21/1385392721.db2.gz NRWKGDXGXRTGST-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccc(C(C)C)cc1 ZINC001317714347 1385415771 /nfs/dbraw/zinc/41/57/71/1385415771.db2.gz PNOWYIFNHVUYHO-PMACEKPBSA-N 2 0 345.531 3.451 10 0 EGAERP CC[NH2+][C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccc(C(C)C)cc1 ZINC001317714823 1385417331 /nfs/dbraw/zinc/41/73/31/1385417331.db2.gz VAJUDCYRTYEDQC-CTNGQTDRSA-N 2 0 343.515 3.063 10 0 EGAERP C[N@@H+]1CCC[C@@H]2[C@H]1CCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001175882578 1385429654 /nfs/dbraw/zinc/42/96/54/1385429654.db2.gz JIYKTTSZOZKVLG-NHCUHLMSSA-N 2 0 327.516 3.341 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001317811989 1385511802 /nfs/dbraw/zinc/51/18/02/1385511802.db2.gz TYVFBXSEFUVPGV-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317812278 1385512200 /nfs/dbraw/zinc/51/22/00/1385512200.db2.gz XDKUWPSMLSKUPQ-MSOLQXFVSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317835983 1385523516 /nfs/dbraw/zinc/52/35/16/1385523516.db2.gz JWGZHPCGFUDDTR-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001317855865 1385540285 /nfs/dbraw/zinc/54/02/85/1385540285.db2.gz ZADLGRAPJKPEFH-VQTJNVASSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)C[C@H](C)CC)CC1 ZINC001317869642 1385551729 /nfs/dbraw/zinc/55/17/29/1385551729.db2.gz FRXRVHZWUSWHDE-IEBWSBKVSA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329154118 1388993459 /nfs/dbraw/zinc/99/34/59/1388993459.db2.gz WIYUQWWXOKUBLA-HZPDHXFCSA-N 2 0 325.541 3.026 10 0 EGAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)[NH+](CC)CC ZINC001318217283 1385630577 /nfs/dbraw/zinc/63/05/77/1385630577.db2.gz ZCNASYOKUQVWPD-SLFFLAALSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001318276772 1385640470 /nfs/dbraw/zinc/64/04/70/1385640470.db2.gz SIIHHRFMNAPHDC-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001318403420 1385674298 /nfs/dbraw/zinc/67/42/98/1385674298.db2.gz RPRRRRNOKCHKIN-ROUUACIJSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001698612172 1406242010 /nfs/dbraw/zinc/24/20/10/1406242010.db2.gz GFJNNSIZCACIJB-HKUYNNGSSA-N 2 0 345.531 3.136 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001318483058 1385713679 /nfs/dbraw/zinc/71/36/79/1385713679.db2.gz OUOKEVUXFBVGPO-LJQANCHMSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001318543569 1385747264 /nfs/dbraw/zinc/74/72/64/1385747264.db2.gz XBOBLQJTDZJYJE-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318636293 1385808274 /nfs/dbraw/zinc/80/82/74/1385808274.db2.gz OQSKJWSTRYICHV-HMECNJMJSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319085288 1385956197 /nfs/dbraw/zinc/95/61/97/1385956197.db2.gz NTABVXWRQSNAID-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCC2)CC1 ZINC001319113663 1385964356 /nfs/dbraw/zinc/96/43/56/1385964356.db2.gz OCALYUDRURPBEE-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001319197936 1386002413 /nfs/dbraw/zinc/00/24/13/1386002413.db2.gz QVGCIADAMRXSQI-PXNSSMCTSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]CCC(C)(C)C ZINC001319256646 1386027750 /nfs/dbraw/zinc/02/77/50/1386027750.db2.gz HXZSGWJSMKNSEY-INIZCTEOSA-N 2 0 333.520 3.140 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001319376919 1386090316 /nfs/dbraw/zinc/09/03/16/1386090316.db2.gz DCOZHHUCFVLSTK-SFHVURJKSA-N 2 0 337.552 3.314 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC2(C[NH+](CCC(C)(C)C)C2)CC1 ZINC001319407348 1386107394 /nfs/dbraw/zinc/10/73/94/1386107394.db2.gz HLMHAFRXTDUSHW-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccccc1C(C)C)[NH+](C)C ZINC001319478186 1386139905 /nfs/dbraw/zinc/13/99/05/1386139905.db2.gz RUCLXEZRVADUNJ-QFBILLFUSA-N 2 0 333.520 3.087 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCC1 ZINC001698635696 1406280911 /nfs/dbraw/zinc/28/09/11/1406280911.db2.gz CBFDFHODVUNYJC-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC(C)C)[C@H](C)C2)ccc2c[nH+]cn21 ZINC001319690176 1386253498 /nfs/dbraw/zinc/25/34/98/1386253498.db2.gz IDFBCWCQQCYVSL-BEFAXECRSA-N 2 0 342.487 3.129 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001319771242 1386290168 /nfs/dbraw/zinc/29/01/68/1386290168.db2.gz ZBUSPFCMWWBKFI-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)cc1 ZINC001319782452 1386294741 /nfs/dbraw/zinc/29/47/41/1386294741.db2.gz YDTIHBHVLHPJCV-HXUWFJFHSA-N 2 0 343.515 3.133 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCC2CC2)CC1 ZINC001319788855 1386296920 /nfs/dbraw/zinc/29/69/20/1386296920.db2.gz UPDRHUATLCVCPA-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319794524 1386300107 /nfs/dbraw/zinc/30/01/07/1386300107.db2.gz YNXUTKZYAIZVAU-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001319887622 1386362745 /nfs/dbraw/zinc/36/27/45/1386362745.db2.gz HHLYLTRJXFPLCW-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001319969357 1386426229 /nfs/dbraw/zinc/42/62/29/1386426229.db2.gz YHOZLWIWBLYKMP-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001321281032 1386865817 /nfs/dbraw/zinc/86/58/17/1386865817.db2.gz PRWAKLNBOIKLFB-DKFQHHCZSA-N 2 0 343.515 3.050 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)c1ccc2ccccc2c1 ZINC001322080067 1387047292 /nfs/dbraw/zinc/04/72/92/1387047292.db2.gz QGEXUOSLWWSYGV-DLBZAZTESA-N 2 0 339.483 3.091 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001322244474 1387117345 /nfs/dbraw/zinc/11/73/45/1387117345.db2.gz NKVVSUBBSNDJEI-MSOLQXFVSA-N 2 0 345.531 3.088 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001322852357 1387247117 /nfs/dbraw/zinc/24/71/17/1387247117.db2.gz MYWWQTVOPUNJAC-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001698715283 1406358736 /nfs/dbraw/zinc/35/87/36/1406358736.db2.gz UQVIMJGSSIQGCP-KWCQTOMTSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCCC1)[NH+](C)C ZINC001329845928 1389235168 /nfs/dbraw/zinc/23/51/68/1389235168.db2.gz MGBVUTYDWXJDTN-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001330511730 1389436746 /nfs/dbraw/zinc/43/67/46/1389436746.db2.gz FZVZQSCQCNPIFM-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC001330528037 1389445469 /nfs/dbraw/zinc/44/54/69/1389445469.db2.gz DVEIKKXKOZVRNC-BGYRXZFFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001698730215 1406379821 /nfs/dbraw/zinc/37/98/21/1406379821.db2.gz NCFKKEXMGABGBW-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001731998491 1428208465 /nfs/dbraw/zinc/20/84/65/1428208465.db2.gz VHJCCKBWOGSIEV-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001330811162 1389534487 /nfs/dbraw/zinc/53/44/87/1389534487.db2.gz JKXFNIBJBHZMAS-MJGOQNOKSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC2CCC3(CC3)CC2)CC1 ZINC001331074065 1389621259 /nfs/dbraw/zinc/62/12/59/1389621259.db2.gz JDFAGVDOSSTKMF-UHFFFAOYSA-N 2 0 349.563 3.220 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001331176543 1389643492 /nfs/dbraw/zinc/64/34/92/1389643492.db2.gz LPNBBWGTWRWEDQ-GOSISDBHSA-N 2 0 331.504 3.108 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1CCC1 ZINC001331223570 1389659459 /nfs/dbraw/zinc/65/94/59/1389659459.db2.gz HLIBHQPFZCONKQ-LJQANCHMSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001331944886 1389922090 /nfs/dbraw/zinc/92/20/90/1389922090.db2.gz WFPDDVMBXTUMCV-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332109705 1389987706 /nfs/dbraw/zinc/98/77/06/1389987706.db2.gz GYQZYUYFBSBQIW-FBBABVLZSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)[C@H]1C ZINC001332219102 1390050408 /nfs/dbraw/zinc/05/04/08/1390050408.db2.gz MRWWUCHKNUVOLQ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001332301311 1390080628 /nfs/dbraw/zinc/08/06/28/1390080628.db2.gz LEIRSIXVXISPHC-UYAOXDASSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1)[NH+](C)C ZINC001332422410 1390112045 /nfs/dbraw/zinc/11/20/45/1390112045.db2.gz HXYBJXCWDDJUQQ-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001332434908 1390115690 /nfs/dbraw/zinc/11/56/90/1390115690.db2.gz STIWHMWALSVFJE-AQNXPRMDSA-N 2 0 326.871 3.456 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001332438374 1390117542 /nfs/dbraw/zinc/11/75/42/1390117542.db2.gz RTYARXFMJOYWFB-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001332507764 1390129482 /nfs/dbraw/zinc/12/94/82/1390129482.db2.gz SWROIASRUMWKRN-KBAYOESNSA-N 2 0 349.906 3.111 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(C)C)[NH+](C)C ZINC001332711833 1390164672 /nfs/dbraw/zinc/16/46/72/1390164672.db2.gz WQTCZPQTKUYQCE-GOSISDBHSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332788904 1390188459 /nfs/dbraw/zinc/18/84/59/1390188459.db2.gz KDXWMRJGDUZLDD-ZWKOTPCHSA-N 2 0 339.568 3.416 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332806108 1390191042 /nfs/dbraw/zinc/19/10/42/1390191042.db2.gz FPOBLWFXEWFOKG-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001333004228 1390234859 /nfs/dbraw/zinc/23/48/59/1390234859.db2.gz IQCSGPUPNAUCMC-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001333013580 1390236598 /nfs/dbraw/zinc/23/65/98/1390236598.db2.gz ILPBVBQEHOIDKT-AZUAARDMSA-N 2 0 349.563 3.290 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC2CCCCC2)C1 ZINC001333080853 1390246066 /nfs/dbraw/zinc/24/60/66/1390246066.db2.gz ALGLIBHEJFWMMU-GPJFCIFZSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001333141400 1390256089 /nfs/dbraw/zinc/25/60/89/1390256089.db2.gz NXTDUGPGWPWGQG-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CCCC3CCC3)CC2)CC1 ZINC001333420050 1390300059 /nfs/dbraw/zinc/30/00/59/1390300059.db2.gz QJIMGYLANHVUJO-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP Cc1cc(NC(=O)N2CCC[C@@H](C[NH+]3CCC(C)CC3)C2)cc(C)n1 ZINC001341006057 1390423857 /nfs/dbraw/zinc/42/38/57/1390423857.db2.gz LNQAEVVIUUBELL-SFHVURJKSA-N 2 0 344.503 3.096 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001486441707 1391008796 /nfs/dbraw/zinc/00/87/96/1391008796.db2.gz WILQZPDVQSWPRL-GOSISDBHSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001698804115 1406483355 /nfs/dbraw/zinc/48/33/55/1406483355.db2.gz SFTUSAAKXBWPGP-DLBZAZTESA-N 2 0 341.515 3.016 10 0 EGAERP CC[C@@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCCC1)[NH+](C)C ZINC001698806434 1406487702 /nfs/dbraw/zinc/48/77/02/1406487702.db2.gz NEZIJFFVZHRZQK-ABHNRTSZSA-N 2 0 337.552 3.172 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC001348853118 1391275621 /nfs/dbraw/zinc/27/56/21/1391275621.db2.gz RPVXAHIGKARSFL-IYWMVGAKSA-N 2 0 325.431 3.305 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC2 ZINC001698809660 1406495453 /nfs/dbraw/zinc/49/54/53/1406495453.db2.gz UYGIZCBANSFXTP-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827258 1406520643 /nfs/dbraw/zinc/52/06/43/1406520643.db2.gz CEJZHLJOZKZOKO-QAPCUYQASA-N 2 0 349.544 3.092 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001479571677 1392278315 /nfs/dbraw/zinc/27/83/15/1392278315.db2.gz DKXXKHWPULHFRA-MDZRGWNJSA-N 2 0 349.494 3.055 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001479690499 1392322268 /nfs/dbraw/zinc/32/22/68/1392322268.db2.gz QAJVKPYCAAJZIM-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001479693734 1392324824 /nfs/dbraw/zinc/32/48/24/1392324824.db2.gz DDFNYLINYKATKQ-AZUAARDMSA-N 2 0 345.531 3.450 10 0 EGAERP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]2C)c1 ZINC001479717668 1392336603 /nfs/dbraw/zinc/33/66/03/1392336603.db2.gz JMBFSWWPMGXURZ-MJGOQNOKSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC(C)(C)C ZINC001479721879 1392337728 /nfs/dbraw/zinc/33/77/28/1392337728.db2.gz WCCUPRQPDMXAQQ-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479748133 1392365521 /nfs/dbraw/zinc/36/55/21/1392365521.db2.gz OFRCRAUVVIGHFK-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001479771544 1392377920 /nfs/dbraw/zinc/37/79/20/1392377920.db2.gz FYFVSUNKBCPCSM-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](CCCNC(=O)C[N@@H+](C)CC(C)(C)C)[C@@H]1CCc2ccccc21 ZINC001479796024 1392395697 /nfs/dbraw/zinc/39/56/97/1392395697.db2.gz ALZREPAWKRILMQ-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001479870666 1392447449 /nfs/dbraw/zinc/44/74/49/1392447449.db2.gz KUEJDRLLOKVZJP-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001479895946 1392464959 /nfs/dbraw/zinc/46/49/59/1392464959.db2.gz DZCWQDFTNSSTRM-GHOSXJJBSA-N 2 0 335.536 3.140 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479980891 1392514482 /nfs/dbraw/zinc/51/44/82/1392514482.db2.gz KLEOIPUSYUWPLG-YSKLNCTFSA-N 2 0 347.547 3.186 10 0 EGAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+](CC)CC ZINC001480181794 1392613920 /nfs/dbraw/zinc/61/39/20/1392613920.db2.gz CJGLLWHWIBFVDX-XVLXNVKGSA-N 2 0 335.536 3.019 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001480219971 1392625811 /nfs/dbraw/zinc/62/58/11/1392625811.db2.gz GDSSYZYOIWAKQG-YSGRDPCXSA-N 2 0 339.483 3.089 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001480238628 1392631208 /nfs/dbraw/zinc/63/12/08/1392631208.db2.gz VUHPTDSUEZRPEF-ZGXWSNOMSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001480238624 1392631329 /nfs/dbraw/zinc/63/13/29/1392631329.db2.gz VUHPTDSUEZRPEF-LWYYNNOASA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001480294243 1392663189 /nfs/dbraw/zinc/66/31/89/1392663189.db2.gz YIZKQDHRXWXMHL-OALUTQOASA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001480304528 1392668180 /nfs/dbraw/zinc/66/81/80/1392668180.db2.gz YTNHDGVYLWNVBG-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480305261 1392668460 /nfs/dbraw/zinc/66/84/60/1392668460.db2.gz QVBWKQLLUKXDHC-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001480515128 1392775969 /nfs/dbraw/zinc/77/59/69/1392775969.db2.gz CUCOKLKUYVFKHQ-GOSISDBHSA-N 2 0 345.531 3.081 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480705707 1392868443 /nfs/dbraw/zinc/86/84/43/1392868443.db2.gz UGFZJIGNOBCPJE-NYQZOWANSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480723786 1392884519 /nfs/dbraw/zinc/88/45/19/1392884519.db2.gz DKKHSSCHBZMZOF-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1c(C)cccc1C ZINC001480980272 1393063403 /nfs/dbraw/zinc/06/34/03/1393063403.db2.gz LNEBKWHIHQOHKM-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](CC)CC ZINC001481058776 1393109113 /nfs/dbraw/zinc/10/91/13/1393109113.db2.gz ZPDAITLJBZWJFM-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CC1CCC2(CC2)CC1 ZINC001481145771 1393133310 /nfs/dbraw/zinc/13/33/10/1393133310.db2.gz OELARIKIFNFWOJ-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001481286127 1393158426 /nfs/dbraw/zinc/15/84/26/1393158426.db2.gz CFMCDTCQQZQDLJ-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CCC1CCCCC1 ZINC001490215204 1393171123 /nfs/dbraw/zinc/17/11/23/1393171123.db2.gz ZTGRCGDDFWIIKZ-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CC1 ZINC001490344486 1393177059 /nfs/dbraw/zinc/17/70/59/1393177059.db2.gz UIIJGJACZPKKPF-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001698927633 1406663830 /nfs/dbraw/zinc/66/38/30/1406663830.db2.gz GAERBJFTGJNMNF-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001481433446 1394289449 /nfs/dbraw/zinc/28/94/49/1394289449.db2.gz VHJQDMPZMSLXDH-ZYHOBAKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC1CC[NH+](CC(=O)NCC[C@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001481461279 1394317950 /nfs/dbraw/zinc/31/79/50/1394317950.db2.gz ZDYVORVELFAAGL-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481485532 1394330698 /nfs/dbraw/zinc/33/06/98/1394330698.db2.gz HZVMBNYSVNLHMQ-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001698951811 1406693037 /nfs/dbraw/zinc/69/30/37/1406693037.db2.gz JXWWVJLRGXUCDW-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001491170290 1394457241 /nfs/dbraw/zinc/45/72/41/1394457241.db2.gz MEZPGOPZDYUBFI-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491172434 1394458373 /nfs/dbraw/zinc/45/83/73/1394458373.db2.gz DZILOVPJKASLTD-SFHVURJKSA-N 2 0 339.568 3.229 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481731524 1394480219 /nfs/dbraw/zinc/48/02/19/1394480219.db2.gz VFHMUEFRADUNFQ-SFFCAUCYSA-N 2 0 347.547 3.142 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001491237859 1394490624 /nfs/dbraw/zinc/49/06/24/1394490624.db2.gz XPIMLYAODNOYQZ-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001491264998 1394496593 /nfs/dbraw/zinc/49/65/93/1394496593.db2.gz SCCZSIFXKBFEFN-OALUTQOASA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491302499 1394502325 /nfs/dbraw/zinc/50/23/25/1394502325.db2.gz WVJXYMFNZBDNIG-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001491683306 1394526408 /nfs/dbraw/zinc/52/64/08/1394526408.db2.gz RYFHCXWCRZGCJF-XLIONFOSSA-N 2 0 345.531 3.108 10 0 EGAERP CC[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001481818471 1394544616 /nfs/dbraw/zinc/54/46/16/1394544616.db2.gz UMRDPMQHRCTYFZ-KRWDZBQOSA-N 2 0 349.544 3.408 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1C ZINC001481838423 1394553238 /nfs/dbraw/zinc/55/32/38/1394553238.db2.gz BVDRUBQJVWENKH-MSOLQXFVSA-N 2 0 345.531 3.415 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CCC1CCCCC1 ZINC001481880499 1394574801 /nfs/dbraw/zinc/57/48/01/1394574801.db2.gz FXJPASGNFJVNOO-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481883213 1394576907 /nfs/dbraw/zinc/57/69/07/1394576907.db2.gz WYSGFEXMUYREAX-WOJBJXKFSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001481897125 1394584839 /nfs/dbraw/zinc/58/48/39/1394584839.db2.gz OWAMDROVUPWEBQ-QGZVFWFLSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001481910552 1394591923 /nfs/dbraw/zinc/59/19/23/1394591923.db2.gz QWMQMIVVDBLDKG-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001481941473 1394608090 /nfs/dbraw/zinc/60/80/90/1394608090.db2.gz TVRSSAWIJVJKGJ-OAQYLSRUSA-N 2 0 347.547 3.093 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H](CC[NH2+]CCC(C)(C)C)C2)CCC1 ZINC001481976819 1394637998 /nfs/dbraw/zinc/63/79/98/1394637998.db2.gz MFKRTPFBXUNLJO-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCC3=CCCCC3)CC2)C1 ZINC001482007805 1394667618 /nfs/dbraw/zinc/66/76/18/1394667618.db2.gz FPJDHKNAMQWMPA-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001482026679 1394684952 /nfs/dbraw/zinc/68/49/52/1394684952.db2.gz ZXMVISCKQPYIOG-BRSBDYLESA-N 2 0 337.552 3.312 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001482059065 1394720373 /nfs/dbraw/zinc/72/03/73/1394720373.db2.gz ZYCWEOCYZPOTKI-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001482238776 1394834618 /nfs/dbraw/zinc/83/46/18/1394834618.db2.gz WUXPRUYOGGVUQC-IAGOWNOFSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1c(C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001482303350 1394878978 /nfs/dbraw/zinc/87/89/78/1394878978.db2.gz ZRUDLXQWALZZCU-OAHLLOKOSA-N 2 0 342.487 3.273 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482315431 1394887170 /nfs/dbraw/zinc/88/71/70/1394887170.db2.gz XWCFIMKXLIAUEM-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001482427877 1394987884 /nfs/dbraw/zinc/98/78/84/1394987884.db2.gz DRTYPBAJSFFBGO-PXNSSMCTSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001482438794 1394999322 /nfs/dbraw/zinc/99/93/22/1394999322.db2.gz ZFGKGVACODPDFI-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001482469152 1395024432 /nfs/dbraw/zinc/02/44/32/1395024432.db2.gz CQRKMTSOZZXBSN-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001482500754 1395053621 /nfs/dbraw/zinc/05/36/21/1395053621.db2.gz JODDMKUHJZXVNZ-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCCCC1 ZINC001482533608 1395074831 /nfs/dbraw/zinc/07/48/31/1395074831.db2.gz ZCHFPJGSGRIGFU-WOJBJXKFSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001483843623 1395109928 /nfs/dbraw/zinc/10/99/28/1395109928.db2.gz WEMQTYWCMYZORK-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C[C@@H]1C ZINC001483913128 1395142103 /nfs/dbraw/zinc/14/21/03/1395142103.db2.gz FLWBONGAGATAMW-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483916973 1395143944 /nfs/dbraw/zinc/14/39/44/1395143944.db2.gz GMALXQMFBNATOG-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483942790 1395154815 /nfs/dbraw/zinc/15/48/15/1395154815.db2.gz QPNTXHDTWKZAJY-PMEOWRCESA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccc(C)cc1)C1CCCC1)[NH+](C)C ZINC001484012783 1395185840 /nfs/dbraw/zinc/18/58/40/1395185840.db2.gz MNSYJRRPTGWGNB-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484145631 1395281801 /nfs/dbraw/zinc/28/18/01/1395281801.db2.gz XYRSVLGDKWXVMS-GHOSXJJBSA-N 2 0 349.563 3.293 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484161501 1395296330 /nfs/dbraw/zinc/29/63/30/1395296330.db2.gz WTHJDAYIGCAJGH-AQWUKCDYSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001484170188 1395310140 /nfs/dbraw/zinc/31/01/40/1395310140.db2.gz LINNHLWRRHWEAR-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001484562825 1395448577 /nfs/dbraw/zinc/44/85/77/1395448577.db2.gz HERFILQSNKLVSK-AEFFLSMTSA-N 2 0 331.504 3.095 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001484820804 1395554338 /nfs/dbraw/zinc/55/43/38/1395554338.db2.gz FZVLEDPSGJWSDU-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001484892766 1395588582 /nfs/dbraw/zinc/58/85/82/1395588582.db2.gz QHDBKFIHVISOFY-YLRDJVGTSA-N 2 0 340.471 3.049 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001484977355 1395617012 /nfs/dbraw/zinc/61/70/12/1395617012.db2.gz IOERCOXXMFBLEC-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001484983934 1395625166 /nfs/dbraw/zinc/62/51/66/1395625166.db2.gz ROGXBLMSVTZXPN-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001485211977 1395707658 /nfs/dbraw/zinc/70/76/58/1395707658.db2.gz MMDSFJNNXYHIHV-JKSUJKDBSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1c(C(=O)N(C)CC[N@@H+](C)CCCC(C)C)ccc2c[nH+]cn21 ZINC001698991106 1406781209 /nfs/dbraw/zinc/78/12/09/1406781209.db2.gz PKWPZECOFPVDNR-UHFFFAOYSA-N 2 0 330.476 3.083 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CC(C)(C)C1 ZINC001698997048 1406796565 /nfs/dbraw/zinc/79/65/65/1406796565.db2.gz INYZLIZWCCVEGI-SFHVURJKSA-N 2 0 337.552 3.076 10 0 EGAERP CCC/C=C\CC[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001485764848 1396141232 /nfs/dbraw/zinc/14/12/32/1396141232.db2.gz GAUZFEWZVAHPHW-SREVYHEPSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001485878115 1396161222 /nfs/dbraw/zinc/16/12/22/1396161222.db2.gz QVCWTUJPBKTKBD-NZSAHSFTSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)[C@H]1C ZINC001486186507 1396181515 /nfs/dbraw/zinc/18/15/15/1396181515.db2.gz KBVKKAJNGYPGQK-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247118 1396188708 /nfs/dbraw/zinc/18/87/08/1396188708.db2.gz YMKLSOZWFHNOKS-HKUYNNGSSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[N@H+]1CCC ZINC001501392142 1396194032 /nfs/dbraw/zinc/19/40/32/1396194032.db2.gz WFVSEZVDYNQXGN-CSSZIBPHSA-N 2 0 347.547 3.282 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001492092411 1396303885 /nfs/dbraw/zinc/30/38/85/1396303885.db2.gz PSXRMDKGPJRTRJ-UYAOXDASSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001492178930 1396313158 /nfs/dbraw/zinc/31/31/58/1396313158.db2.gz SJUIGRPLUNRIPH-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001494057146 1396348438 /nfs/dbraw/zinc/34/84/38/1396348438.db2.gz SENZYYVTELMRQQ-DXPXIUTNSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C[NH2+]CCCC(C)(C)C)cc2)C1 ZINC001495497140 1396538432 /nfs/dbraw/zinc/53/84/32/1396538432.db2.gz FQGWNIAJDDTKPC-LJQANCHMSA-N 2 0 345.531 3.170 10 0 EGAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]CC1CCC(C)CC1 ZINC001495742911 1396553681 /nfs/dbraw/zinc/55/36/81/1396553681.db2.gz LBAYPQYRKUVYKU-ADKAHSJRSA-N 2 0 339.568 3.133 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001495958016 1396577801 /nfs/dbraw/zinc/57/78/01/1396577801.db2.gz HXJDSDURCMFHTO-ICSRJNTNSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001496084426 1396598857 /nfs/dbraw/zinc/59/88/57/1396598857.db2.gz WPQOMLLKPMLHLP-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CCCCC1 ZINC001496560426 1396715467 /nfs/dbraw/zinc/71/54/67/1396715467.db2.gz BXBDDXOYSQJVTC-BHIYHBOVSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001497689615 1396785219 /nfs/dbraw/zinc/78/52/19/1396785219.db2.gz AIKKIZNKTDUOJG-MEDWBQCRSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001689055890 1396855934 /nfs/dbraw/zinc/85/59/34/1396855934.db2.gz MVEPAWHFAYEQGW-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001689265535 1396997765 /nfs/dbraw/zinc/99/77/65/1396997765.db2.gz XCSHXBITBGWOAG-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001689270299 1397002531 /nfs/dbraw/zinc/00/25/31/1397002531.db2.gz LPKDLBFIRIYLNN-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001498456871 1397005739 /nfs/dbraw/zinc/00/57/39/1397005739.db2.gz QHKUYXWKWLOYGA-KRWDZBQOSA-N 2 0 347.547 3.261 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001689298492 1397024484 /nfs/dbraw/zinc/02/44/84/1397024484.db2.gz FIFDOPFEIGIFMF-CXLYAGSJSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001689891416 1404188051 /nfs/dbraw/zinc/18/80/51/1404188051.db2.gz ZHODIULVUAOKAO-LJQANCHMSA-N 2 0 345.531 3.370 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001690010619 1404253733 /nfs/dbraw/zinc/25/37/33/1404253733.db2.gz MWEVTRZIUUHHOJ-UHFFFAOYSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001690027338 1404265716 /nfs/dbraw/zinc/26/57/16/1404265716.db2.gz IREDNVOFDVLHGE-CMDGGOBGSA-N 2 0 337.552 3.243 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001690030632 1404269868 /nfs/dbraw/zinc/26/98/68/1404269868.db2.gz CIZWWVJHDAECLC-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)C1)CC(C)(C)C ZINC001690103260 1404301253 /nfs/dbraw/zinc/30/12/53/1404301253.db2.gz JUBNCZZQKBBAMT-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001690122738 1404316136 /nfs/dbraw/zinc/31/61/36/1404316136.db2.gz ARBILECYAPDYIA-OALUTQOASA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001690194698 1404401329 /nfs/dbraw/zinc/40/13/29/1404401329.db2.gz MCIUCYYZFMROEH-XOUUWWQPSA-N 2 0 349.563 3.245 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001690199639 1404411224 /nfs/dbraw/zinc/41/12/24/1404411224.db2.gz WKLXXLDWPYGFLY-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)cs1 ZINC001690260943 1404434382 /nfs/dbraw/zinc/43/43/82/1404434382.db2.gz JFSODRJPKJYOIN-SFHVURJKSA-N 2 0 349.544 3.013 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC)CC[C@H]21 ZINC001690318445 1404475933 /nfs/dbraw/zinc/47/59/33/1404475933.db2.gz UAUHVFCVTXKKTL-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001690336773 1404482118 /nfs/dbraw/zinc/48/21/18/1404482118.db2.gz RCPDAPQHZOLPSO-HDICACEKSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001690357694 1404492576 /nfs/dbraw/zinc/49/25/76/1404492576.db2.gz CFQODXFOSARBLO-CEXWTWQISA-N 2 0 335.536 3.066 10 0 EGAERP CC1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)CCC[NH+](C)C)CC1 ZINC001690452969 1404579899 /nfs/dbraw/zinc/57/98/99/1404579899.db2.gz PCNXOFPMKHFHIT-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690504623 1404616643 /nfs/dbraw/zinc/61/66/43/1404616643.db2.gz GFZYZBGBOSXSHJ-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505463 1404618120 /nfs/dbraw/zinc/61/81/20/1404618120.db2.gz SSBZEFNEAPSVHA-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690505405 1404618219 /nfs/dbraw/zinc/61/82/19/1404618219.db2.gz SACNHAJFBVKTIR-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001690574911 1404637163 /nfs/dbraw/zinc/63/71/63/1404637163.db2.gz KMZGXZBJJPHLRF-OXQOHEQNSA-N 2 0 343.515 3.031 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001690610815 1404651351 /nfs/dbraw/zinc/65/13/51/1404651351.db2.gz VETZIUUSFQCCLI-QGZVFWFLSA-N 2 0 345.531 3.108 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690628827 1404663637 /nfs/dbraw/zinc/66/36/37/1404663637.db2.gz WDHFWJXOJUBGPC-ZWKOTPCHSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690790575 1404736695 /nfs/dbraw/zinc/73/66/95/1404736695.db2.gz OPSGODYSNBWQSX-RTBURBONSA-N 2 0 335.536 3.236 10 0 EGAERP CC/C=C\CC[NH+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001690818324 1404753123 /nfs/dbraw/zinc/75/31/23/1404753123.db2.gz DXBXMVOFOUYSOI-SLVIYJBESA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC001690850204 1404776414 /nfs/dbraw/zinc/77/64/14/1404776414.db2.gz TUJXSKQXTGIUPT-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CC1CCC(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001690941968 1404847930 /nfs/dbraw/zinc/84/79/30/1404847930.db2.gz PLEONWSYGFHWLU-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691106266 1405046744 /nfs/dbraw/zinc/04/67/44/1405046744.db2.gz UZKDUUQXCVGFCP-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691142985 1405076863 /nfs/dbraw/zinc/07/68/63/1405076863.db2.gz HVUOJLDAKPGBGF-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691304839 1405199053 /nfs/dbraw/zinc/19/90/53/1405199053.db2.gz GQHXXIODRBAZRT-WYTZPYIFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCCCC1 ZINC001691317426 1405204275 /nfs/dbraw/zinc/20/42/75/1405204275.db2.gz VICCHNPZNFWWIE-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001691352413 1405211544 /nfs/dbraw/zinc/21/15/44/1405211544.db2.gz VTQIKJPMYVWXBC-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1c(C)cc(C)cc1C ZINC001691496190 1405303376 /nfs/dbraw/zinc/30/33/76/1405303376.db2.gz NWMNFVIQTXTCJL-VQTJNVASSA-N 2 0 345.531 3.033 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1C ZINC001691510656 1405311463 /nfs/dbraw/zinc/31/14/63/1405311463.db2.gz QBYORTOMGBOQQW-XUVXKRRUSA-N 2 0 345.531 3.050 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001691534146 1405327500 /nfs/dbraw/zinc/32/75/00/1405327500.db2.gz SQDJHDDSPQZLPZ-IHPCNDPISA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001691622971 1405362926 /nfs/dbraw/zinc/36/29/26/1405362926.db2.gz GPJRDESZVFJBAH-LPHOPBHVSA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001691664958 1405397013 /nfs/dbraw/zinc/39/70/13/1405397013.db2.gz NDHWJKYTONCISW-CEXWTWQISA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001691728339 1405451928 /nfs/dbraw/zinc/45/19/28/1405451928.db2.gz QGKMKEIYXXOXAA-ROUUACIJSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001691757459 1405474336 /nfs/dbraw/zinc/47/43/36/1405474336.db2.gz ISHFERCFYUMXCD-QRVBRYPASA-N 2 0 345.531 3.189 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773451 1405484854 /nfs/dbraw/zinc/48/48/54/1405484854.db2.gz YNTBLWNNBSZXAP-PXNSSMCTSA-N 2 0 345.531 3.309 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001691823344 1405539360 /nfs/dbraw/zinc/53/93/60/1405539360.db2.gz MVUFEXDCHLPLEQ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001691823424 1405539664 /nfs/dbraw/zinc/53/96/64/1405539664.db2.gz ORMHKJZKUPUDPR-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001691941797 1405664660 /nfs/dbraw/zinc/66/46/60/1405664660.db2.gz FAOCHKSEICGQLV-JTDSTZFVSA-N 2 0 349.494 3.103 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001691955101 1405673749 /nfs/dbraw/zinc/67/37/49/1405673749.db2.gz IITJLPALMLSOIT-VLPTVUGRSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C)[NH+](C)C ZINC001692224231 1405855362 /nfs/dbraw/zinc/85/53/62/1405855362.db2.gz QYOHECGWBGSUPC-NEWSRXKRSA-N 2 0 337.552 3.122 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1C[NH+](CCCC2CCC2)C1 ZINC001692318404 1405936429 /nfs/dbraw/zinc/93/64/29/1405936429.db2.gz WISAROBKXYHMLI-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001692318706 1405937560 /nfs/dbraw/zinc/93/75/60/1405937560.db2.gz GVTWOGIFZRIPLO-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]C[C@@H](C)CC)C1 ZINC001692332921 1405952050 /nfs/dbraw/zinc/95/20/50/1405952050.db2.gz IQWACMROMRYSDA-ROUUACIJSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001692376272 1405983658 /nfs/dbraw/zinc/98/36/58/1405983658.db2.gz JRNYSDBBNSJKOC-FHWLQOOXSA-N 2 0 335.536 3.115 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC1=CCCCC1 ZINC001732013215 1428228259 /nfs/dbraw/zinc/22/82/59/1428228259.db2.gz PPAPJRQKPUNBAN-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698603967 1406230247 /nfs/dbraw/zinc/23/02/47/1406230247.db2.gz ISDIXZNSKQCALO-FYCOFBDGSA-N 2 0 328.460 3.097 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCC1 ZINC001698604340 1406230500 /nfs/dbraw/zinc/23/05/00/1406230500.db2.gz NMLSCQROUPTUCR-KRWDZBQOSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732021476 1428238959 /nfs/dbraw/zinc/23/89/59/1428238959.db2.gz DSSSGJXNGRGPAB-MJGOQNOKSA-N 2 0 343.515 3.108 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732049275 1428287056 /nfs/dbraw/zinc/28/70/56/1428287056.db2.gz PBWYMFAHWZJFDP-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732049272 1428287172 /nfs/dbraw/zinc/28/71/72/1428287172.db2.gz PBWYMFAHWZJFDP-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001732053358 1428295167 /nfs/dbraw/zinc/29/51/67/1428295167.db2.gz GARYNLYDMNGFRS-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732147757 1428391727 /nfs/dbraw/zinc/39/17/27/1428391727.db2.gz BIORHKCPCSKDDT-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732154507 1428398233 /nfs/dbraw/zinc/39/82/33/1428398233.db2.gz ROQHXEGGRGGDPS-PEPAHJGKSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732185938 1428435113 /nfs/dbraw/zinc/43/51/13/1428435113.db2.gz JOPUVVHRXVHGTD-BBVFFXRHSA-N 2 0 337.552 3.243 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001732247753 1428491127 /nfs/dbraw/zinc/49/11/27/1428491127.db2.gz LSTDZCRFUJOVNR-LAUBAEHRSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)cc1 ZINC001732260818 1428500803 /nfs/dbraw/zinc/50/08/03/1428500803.db2.gz XNONONWYSTXSCA-GHTZIAJQSA-N 2 0 345.531 3.101 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732275742 1428509859 /nfs/dbraw/zinc/50/98/59/1428509859.db2.gz QCOYSVHUOBZXJY-CEXWTWQISA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC1CC[NH+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001732324837 1428533616 /nfs/dbraw/zinc/53/36/16/1428533616.db2.gz LSTDZFATFAMFGD-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1C(C)C)CC2 ZINC001732402880 1428567600 /nfs/dbraw/zinc/56/76/00/1428567600.db2.gz PXTSIVBZDGZCNU-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)C1CC[NH+](C(C)C)CC1)CC2 ZINC001732405871 1428569189 /nfs/dbraw/zinc/56/91/89/1428569189.db2.gz VMTZKQYYMMEOOA-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433539 1428578748 /nfs/dbraw/zinc/57/87/48/1428578748.db2.gz PTAUFHWQJPHFAA-GFBZKKKVSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001732477770 1428603830 /nfs/dbraw/zinc/60/38/30/1428603830.db2.gz OQXLSQQAXLHNIJ-LLHWWHOWSA-N 2 0 347.547 3.093 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001732500047 1428621159 /nfs/dbraw/zinc/62/11/59/1428621159.db2.gz NZSXUBHTAQLYTG-FUHWJXTLSA-N 2 0 349.519 3.362 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001732519752 1428638338 /nfs/dbraw/zinc/63/83/38/1428638338.db2.gz KDPPWPQPQWBDRZ-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732530107 1428650447 /nfs/dbraw/zinc/65/04/47/1428650447.db2.gz GFPVLOMAJIBSFD-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699161655 1412544982 /nfs/dbraw/zinc/54/49/82/1412544982.db2.gz WDWGYMJBDPAFOT-AZUAARDMSA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699186220 1412560362 /nfs/dbraw/zinc/56/03/62/1412560362.db2.gz DNXXNHOAQNMARQ-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C(C)C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001699204782 1412572726 /nfs/dbraw/zinc/57/27/26/1412572726.db2.gz WFRZRXIFZWNANY-SFHVURJKSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699302969 1412625254 /nfs/dbraw/zinc/62/52/54/1412625254.db2.gz RFLOMLXNJACECH-UCFODXPJSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699372997 1412680172 /nfs/dbraw/zinc/68/01/72/1412680172.db2.gz XVXDHZFYGIQRBL-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443021 1412773564 /nfs/dbraw/zinc/77/35/64/1412773564.db2.gz SQWUCKVVKUBOAS-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001699695768 1413105287 /nfs/dbraw/zinc/10/52/87/1413105287.db2.gz UCXNROMXJSHAFX-CTNGQTDRSA-N 2 0 349.563 3.366 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001699731204 1413143739 /nfs/dbraw/zinc/14/37/39/1413143739.db2.gz CMYZNSBACZBOFC-GOEBONIOSA-N 2 0 328.460 3.026 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699752778 1413160088 /nfs/dbraw/zinc/16/00/88/1413160088.db2.gz GCZIELHXUCXNLE-FZZLMOMWSA-N 2 0 347.547 3.330 10 0 EGAERP CC1CC[NH+](CC(=O)NC2(C)CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001699773825 1413182453 /nfs/dbraw/zinc/18/24/53/1413182453.db2.gz HLMYJTWRQIPKTD-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001699788538 1413194506 /nfs/dbraw/zinc/19/45/06/1413194506.db2.gz CFSLEPRXTITTNC-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001699788536 1413194552 /nfs/dbraw/zinc/19/45/52/1413194552.db2.gz CFSLEPRXTITTNC-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1)[NH+]1CCCC1 ZINC001699797621 1413207424 /nfs/dbraw/zinc/20/74/24/1413207424.db2.gz UEOWFJJTHBFDGM-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699825555 1413250963 /nfs/dbraw/zinc/25/09/63/1413250963.db2.gz NSUOHYQVPZUHCW-PRPIBZDOSA-N 2 0 335.536 3.189 10 0 EGAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001699876457 1413334842 /nfs/dbraw/zinc/33/48/42/1413334842.db2.gz YLACKDUFMSLEHK-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001699933403 1413375951 /nfs/dbraw/zinc/37/59/51/1413375951.db2.gz LITZVEKANQOFNP-FQEVSTJZSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699937833 1413381504 /nfs/dbraw/zinc/38/15/04/1413381504.db2.gz VDEFNFKOIWRJNG-JKCVZHOFSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001699970947 1413409376 /nfs/dbraw/zinc/40/93/76/1413409376.db2.gz RGNWBFYXSLMMGA-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001700011338 1413453468 /nfs/dbraw/zinc/45/34/68/1413453468.db2.gz HIGGCQCSTDWPIS-RTBURBONSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001700017749 1413464227 /nfs/dbraw/zinc/46/42/27/1413464227.db2.gz SEADEUKDLOLEBM-FMEUAVTJSA-N 2 0 347.547 3.284 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001732549659 1428729313 /nfs/dbraw/zinc/72/93/13/1428729313.db2.gz YLRGRFBDUGSMQZ-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001700068766 1413484444 /nfs/dbraw/zinc/48/44/44/1413484444.db2.gz YDLBIPVRBIYGSG-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001700089742 1413501227 /nfs/dbraw/zinc/50/12/27/1413501227.db2.gz FVHFBHNDJSSLRP-LJQANCHMSA-N 2 0 331.504 3.017 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001700103933 1413522217 /nfs/dbraw/zinc/52/22/17/1413522217.db2.gz VJYQVGAABAVLME-IRJFHVNHSA-N 2 0 345.531 3.427 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001700104834 1413523405 /nfs/dbraw/zinc/52/34/05/1413523405.db2.gz YEFRGQUHVVBNQG-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)CCC1 ZINC001700179089 1413589642 /nfs/dbraw/zinc/58/96/42/1413589642.db2.gz MYXJGUKKDBMRBG-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001700192825 1413625080 /nfs/dbraw/zinc/62/50/80/1413625080.db2.gz CSLRFHQIPIRPKT-VQTJNVASSA-N 2 0 347.547 3.284 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001700193258 1413627197 /nfs/dbraw/zinc/62/71/97/1413627197.db2.gz UQVULUWMOVRLNP-QZTJIDSGSA-N 2 0 349.544 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(CC)([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001700222259 1413670452 /nfs/dbraw/zinc/67/04/52/1413670452.db2.gz KDPRGBJELSDLLX-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]CC=C(C)C)CC2)C1 ZINC001700281577 1413726532 /nfs/dbraw/zinc/72/65/32/1413726532.db2.gz CYBPLHJYMIKNCX-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001700321059 1413787012 /nfs/dbraw/zinc/78/70/12/1413787012.db2.gz WEXNMTDYJFSFKJ-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700356551 1413859037 /nfs/dbraw/zinc/85/90/37/1413859037.db2.gz IHRJYCJVSZKVPY-OALUTQOASA-N 2 0 349.494 3.151 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001700364449 1413885868 /nfs/dbraw/zinc/88/58/68/1413885868.db2.gz LESMJFWYAAMKLC-FQEVSTJZSA-N 2 0 345.531 3.475 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700518128 1414172072 /nfs/dbraw/zinc/17/20/72/1414172072.db2.gz ULWMNKDFDVGGJL-NZSAHSFTSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001700526440 1414188071 /nfs/dbraw/zinc/18/80/71/1414188071.db2.gz YXHUXZJKUXSMEG-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001700644664 1414310003 /nfs/dbraw/zinc/31/00/03/1414310003.db2.gz ZMKORCIVZASCCP-BZSNNMDCSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001700712658 1414370204 /nfs/dbraw/zinc/37/02/04/1414370204.db2.gz JDEIGEGDZSEGHN-MOPGFXCFSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001700860196 1414508596 /nfs/dbraw/zinc/50/85/96/1414508596.db2.gz RKWPOGOOVXKPNU-MJGOQNOKSA-N 2 0 347.547 3.022 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001700914395 1414567446 /nfs/dbraw/zinc/56/74/46/1414567446.db2.gz XKXYAVMVWYVLJL-UXHICEINSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C)C(C)C ZINC001700972699 1414599918 /nfs/dbraw/zinc/59/99/18/1414599918.db2.gz RPHMQUILYGRCCN-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC1CCC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001700976212 1414611913 /nfs/dbraw/zinc/61/19/13/1414611913.db2.gz KMYOUEMWKYGXDF-NRFANRHFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC001700985749 1414627818 /nfs/dbraw/zinc/62/78/18/1414627818.db2.gz RMTNSJIGVZMFMF-GVDBMIGSSA-N 2 0 339.568 3.273 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001732618752 1428881849 /nfs/dbraw/zinc/88/18/49/1428881849.db2.gz CSTFDGHBVCEFRZ-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001732850464 1429008978 /nfs/dbraw/zinc/00/89/78/1429008978.db2.gz JBKQSVABCANJIE-HOHWPDKRSA-N 2 0 343.515 3.191 10 0 EGAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001732904031 1429038379 /nfs/dbraw/zinc/03/83/79/1429038379.db2.gz XULRUIVGBWBMIU-KPBXEYHCSA-N 2 0 337.895 3.003 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732956711 1429080803 /nfs/dbraw/zinc/08/08/03/1429080803.db2.gz LZQUXXAFDUYMKN-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP CN(C[C@@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)CCCC[NH+](C)C ZINC001707054064 1417168037 /nfs/dbraw/zinc/16/80/37/1417168037.db2.gz PNLUQGLWCLBHHO-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707138907 1417218217 /nfs/dbraw/zinc/21/82/17/1417218217.db2.gz JWHBKLCGZHPFBV-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001707158774 1417224992 /nfs/dbraw/zinc/22/49/92/1417224992.db2.gz XIMKGZOMTYDHCT-QYZOEREBSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)[C@H]1CC ZINC001707204048 1417243902 /nfs/dbraw/zinc/24/39/02/1417243902.db2.gz KWMOZFQWTPBVNA-NSHGMRRFSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001707239378 1417259513 /nfs/dbraw/zinc/25/95/13/1417259513.db2.gz PMMIRCSNPRTARO-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001707281511 1417291738 /nfs/dbraw/zinc/29/17/38/1417291738.db2.gz PPBKORAMGHJABQ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1=CCCCC1 ZINC001707382690 1417303946 /nfs/dbraw/zinc/30/39/46/1417303946.db2.gz ZZFXLEBSEHOVAW-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707440623 1417344589 /nfs/dbraw/zinc/34/45/89/1417344589.db2.gz DGMKGGZVPNHAOR-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001707444037 1417348068 /nfs/dbraw/zinc/34/80/68/1417348068.db2.gz KRXVCWALZZGPMT-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054112 1429195118 /nfs/dbraw/zinc/19/51/18/1429195118.db2.gz NCMGASWHKPEZJZ-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001713056836 1417610904 /nfs/dbraw/zinc/61/09/04/1417610904.db2.gz QDAXVSCXEHIMAP-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001713094508 1417642774 /nfs/dbraw/zinc/64/27/74/1417642774.db2.gz HNFNOGZGXXESOU-GOSISDBHSA-N 2 0 347.547 3.166 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C ZINC001713180787 1417754716 /nfs/dbraw/zinc/75/47/16/1417754716.db2.gz XAWKUOUNWIMWSX-AYHJJNSGSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713199753 1417770784 /nfs/dbraw/zinc/77/07/84/1417770784.db2.gz NTJREWHKLCVZBQ-SCTDSRPQSA-N 2 0 335.536 3.066 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001713205745 1417775872 /nfs/dbraw/zinc/77/58/72/1417775872.db2.gz PBQKIWFPXCZKKB-FJIDUMEYSA-N 2 0 337.552 3.170 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001713246043 1417832086 /nfs/dbraw/zinc/83/20/86/1417832086.db2.gz KVSDMEIGXFTDIQ-FQEVSTJZSA-N 2 0 347.547 3.191 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279859 1417905583 /nfs/dbraw/zinc/90/55/83/1417905583.db2.gz VHAQYEBMRMDLNG-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001713378573 1417988937 /nfs/dbraw/zinc/98/89/37/1417988937.db2.gz HEDUHTZYFPGIJX-RBUKOAKNSA-N 2 0 343.515 3.033 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001713427959 1418055564 /nfs/dbraw/zinc/05/55/64/1418055564.db2.gz NZPOHFCJSHQMOB-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001733084872 1429237318 /nfs/dbraw/zinc/23/73/18/1429237318.db2.gz YSQLNJVDDOUCEN-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001713492977 1418194852 /nfs/dbraw/zinc/19/48/52/1418194852.db2.gz RPQVNUDHVJYVKP-PKOBYXMFSA-N 2 0 345.531 3.144 10 0 EGAERP CN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001713619760 1418396632 /nfs/dbraw/zinc/39/66/32/1418396632.db2.gz QMTULIQLAANMGT-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713759405 1418567162 /nfs/dbraw/zinc/56/71/62/1418567162.db2.gz YJMPHNUKUDOENQ-PKOBYXMFSA-N 2 0 345.531 3.188 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713782022 1418597916 /nfs/dbraw/zinc/59/79/16/1418597916.db2.gz BMHMJKKEPWWXNV-SREVYHEPSA-N 2 0 335.536 3.140 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001713784083 1418600284 /nfs/dbraw/zinc/60/02/84/1418600284.db2.gz HRWHAXDPRYCMRB-UHFFFAOYSA-N 2 0 345.531 3.475 10 0 EGAERP CC(C)(C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001733169985 1429272730 /nfs/dbraw/zinc/27/27/30/1429272730.db2.gz DFQBKQVAJPCTKL-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713892381 1418689333 /nfs/dbraw/zinc/68/93/33/1418689333.db2.gz WOODOSLWSWFLID-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCC1 ZINC001713943282 1418730875 /nfs/dbraw/zinc/73/08/75/1418730875.db2.gz KQJTYKDGSUXVKR-PMACEKPBSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001713968380 1418747351 /nfs/dbraw/zinc/74/73/51/1418747351.db2.gz GXYHOXNZYTXQQX-MXVIHJGJSA-N 2 0 343.515 3.031 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713968934 1418748165 /nfs/dbraw/zinc/74/81/65/1418748165.db2.gz RQAAUHHRUMBJFK-RTLRUIJZSA-N 2 0 335.536 3.090 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713974147 1418753321 /nfs/dbraw/zinc/75/33/21/1418753321.db2.gz ATQHXZPYMKVGHD-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714047763 1418843890 /nfs/dbraw/zinc/84/38/90/1418843890.db2.gz HKEUYMNJGAHGRE-SBUVDCAVSA-N 2 0 349.563 3.291 10 0 EGAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714050141 1418848406 /nfs/dbraw/zinc/84/84/06/1418848406.db2.gz OHKLBNGNDJFTBI-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001714053779 1418852550 /nfs/dbraw/zinc/85/25/50/1418852550.db2.gz NIJGCLHCGSLQER-APWZRJJASA-N 2 0 349.494 3.150 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)C ZINC001714117739 1418921786 /nfs/dbraw/zinc/92/17/86/1418921786.db2.gz CNQMFXKKKRTDBV-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001714118481 1418923223 /nfs/dbraw/zinc/92/32/23/1418923223.db2.gz SJLSXUCDXHRASZ-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001714136538 1418939857 /nfs/dbraw/zinc/93/98/57/1418939857.db2.gz GVXATHDBRNJBAK-PRPIBZDOSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001714141935 1418944544 /nfs/dbraw/zinc/94/45/44/1418944544.db2.gz KNPNUPRTTKRKSL-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714239673 1419028549 /nfs/dbraw/zinc/02/85/49/1419028549.db2.gz VMIVFHVNNQCDQM-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714267286 1419048476 /nfs/dbraw/zinc/04/84/76/1419048476.db2.gz KXNMKUNDIPJBND-FXAWDEMLSA-N 2 0 347.547 3.378 10 0 EGAERP CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001714268172 1419049754 /nfs/dbraw/zinc/04/97/54/1419049754.db2.gz LAZPDYOFBXLBEO-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001714268176 1419049761 /nfs/dbraw/zinc/04/97/61/1419049761.db2.gz LAZPDYOFBXLBEO-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001733201249 1429305526 /nfs/dbraw/zinc/30/55/26/1429305526.db2.gz PFHMBLGOEHOLTK-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001714330777 1419110780 /nfs/dbraw/zinc/11/07/80/1419110780.db2.gz BSAVRRWVZLDEMA-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001714368073 1419127360 /nfs/dbraw/zinc/12/73/60/1419127360.db2.gz WNPUSUZPAFTYCF-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001714414794 1419152842 /nfs/dbraw/zinc/15/28/42/1419152842.db2.gz YKEJGMUEZPZIFE-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001714414791 1419152948 /nfs/dbraw/zinc/15/29/48/1419152948.db2.gz YKEJGMUEZPZIFE-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001714416701 1419153717 /nfs/dbraw/zinc/15/37/17/1419153717.db2.gz CHWFYLUDRIYSGH-PMACEKPBSA-N 2 0 349.563 3.460 10 0 EGAERP CC1(C)CC(C[NH2+][C@@H]2CCC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001714418249 1419155291 /nfs/dbraw/zinc/15/52/91/1419155291.db2.gz XFKMMLHVBWAFDE-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)[C@H]3CCCC[N@@H+]3C)CCCC2)CC1 ZINC001714496671 1419221295 /nfs/dbraw/zinc/22/12/95/1419221295.db2.gz XHWVILVAWADICC-CTWPCTMYSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001714572280 1419305957 /nfs/dbraw/zinc/30/59/57/1419305957.db2.gz NCKFPAMDYAKOOP-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@@H](C)c2ccc(F)cc2)CC[N@@H+]1C ZINC001714582466 1419322506 /nfs/dbraw/zinc/32/25/06/1419322506.db2.gz BKFFLOWRARTLKJ-ZYSHUDEJSA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@@H+](C/C=C\c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714585569 1419326985 /nfs/dbraw/zinc/32/69/85/1419326985.db2.gz CGLIAYZNCZGXNZ-RAXLEYEMSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714728920 1419485605 /nfs/dbraw/zinc/48/56/05/1419485605.db2.gz DTTBWNZASWEKSX-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)c(C)c1 ZINC001714764560 1419498529 /nfs/dbraw/zinc/49/85/29/1419498529.db2.gz SKVNNBPQNAGJCG-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714796101 1419513106 /nfs/dbraw/zinc/51/31/06/1419513106.db2.gz OQGAZBXHQAIMPT-KRWDZBQOSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714827983 1419538511 /nfs/dbraw/zinc/53/85/11/1419538511.db2.gz AJSVAJUVLGHQGK-UITAMQMPSA-N 2 0 343.943 3.076 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001714862246 1419585313 /nfs/dbraw/zinc/58/53/13/1419585313.db2.gz LSFQONUTXSLQGX-GOSISDBHSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714862424 1419585369 /nfs/dbraw/zinc/58/53/69/1419585369.db2.gz GMMIAXXANPXEOM-SFFCAUCYSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883903 1419622274 /nfs/dbraw/zinc/62/22/74/1419622274.db2.gz XTKBKBFAMMNBQV-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001714942341 1419687109 /nfs/dbraw/zinc/68/71/09/1419687109.db2.gz AHTHIQPLYJMYPH-CTNGQTDRSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001714988233 1419720599 /nfs/dbraw/zinc/72/05/99/1419720599.db2.gz SORMYVCBAVJZSC-ROUUACIJSA-N 2 0 335.536 3.115 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001715015215 1419743032 /nfs/dbraw/zinc/74/30/32/1419743032.db2.gz KRIVPMOABBUPEB-SFHVURJKSA-N 2 0 342.487 3.369 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001715031855 1419764589 /nfs/dbraw/zinc/76/45/89/1419764589.db2.gz WHZOCNABUWRCKQ-HNAYVOBHSA-N 2 0 342.487 3.273 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001715050422 1419792116 /nfs/dbraw/zinc/79/21/16/1419792116.db2.gz YRUULEWHYZTZLR-IRXDYDNUSA-N 2 0 349.494 3.150 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001715099841 1419840640 /nfs/dbraw/zinc/84/06/40/1419840640.db2.gz DBKOCGFEHQQCAH-UHFFFAOYSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001715174878 1419910909 /nfs/dbraw/zinc/91/09/09/1419910909.db2.gz DCPDNRRVRMWCED-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001715190253 1419922530 /nfs/dbraw/zinc/92/25/30/1419922530.db2.gz UOLQNCHWUHNCNH-WGSAOQKQSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)C[N@@H+](C)CC(C)(C)C)cc1 ZINC001715196283 1419928192 /nfs/dbraw/zinc/92/81/92/1419928192.db2.gz KIKUMAFIJGKNMK-UHFFFAOYSA-N 2 0 345.531 3.337 10 0 EGAERP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001715315891 1420024743 /nfs/dbraw/zinc/02/47/43/1420024743.db2.gz POMSKBRINAVHDC-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CC=C(C)C)C2)CC1 ZINC001715316040 1420025068 /nfs/dbraw/zinc/02/50/68/1420025068.db2.gz SGACCFBELOOEPK-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715333208 1420038520 /nfs/dbraw/zinc/03/85/20/1420038520.db2.gz UDNIACHQQBBNFT-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC001733248766 1429395202 /nfs/dbraw/zinc/39/52/02/1429395202.db2.gz DAXQADSDCSKGIU-SFHVURJKSA-N 2 0 347.547 3.068 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001715403571 1420102141 /nfs/dbraw/zinc/10/21/41/1420102141.db2.gz RPNVODXOOHIGFA-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001715410687 1420107114 /nfs/dbraw/zinc/10/71/14/1420107114.db2.gz IWRQLDPIKCVITE-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001715450089 1420133020 /nfs/dbraw/zinc/13/30/20/1420133020.db2.gz ZOLIBGXWLPTDDS-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001715467984 1420147033 /nfs/dbraw/zinc/14/70/33/1420147033.db2.gz SSTWRXQSGRCMOR-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)[NH2+]CC1CCC1 ZINC001715508515 1420191850 /nfs/dbraw/zinc/19/18/50/1420191850.db2.gz WGHWHCBUPVSISZ-MOPGFXCFSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001715508445 1420191856 /nfs/dbraw/zinc/19/18/56/1420191856.db2.gz QJEPXDKSXFQPLC-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001715558540 1420251788 /nfs/dbraw/zinc/25/17/88/1420251788.db2.gz KLDJHDKKMRZPRP-IAGOWNOFSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001715566360 1420256310 /nfs/dbraw/zinc/25/63/10/1420256310.db2.gz KNRZSKNASNVQJF-UYAOXDASSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001715578610 1420260832 /nfs/dbraw/zinc/26/08/32/1420260832.db2.gz RTFFBUUOTKDLPK-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1=CCCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715828370 1420358893 /nfs/dbraw/zinc/35/88/93/1420358893.db2.gz RZQHXRYDLKJLKM-HCZHMGAMSA-N 2 0 345.531 3.156 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC1=CCCCC1 ZINC001715830108 1420359348 /nfs/dbraw/zinc/35/93/48/1420359348.db2.gz XIYWKWKKSBBTAT-LJQANCHMSA-N 2 0 335.536 3.140 10 0 EGAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001715858229 1420370064 /nfs/dbraw/zinc/37/00/64/1420370064.db2.gz BPGFNGDRLBSZEK-AAXOBVJHSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733259883 1429413244 /nfs/dbraw/zinc/41/32/44/1429413244.db2.gz FHTYPLOKOXCXLJ-DLBZAZTESA-N 2 0 335.536 3.068 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C ZINC001715961314 1420428052 /nfs/dbraw/zinc/42/80/52/1420428052.db2.gz BUJUEJFPOPMXSZ-QGZVFWFLSA-N 2 0 341.499 3.083 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716026403 1420483246 /nfs/dbraw/zinc/48/32/46/1420483246.db2.gz DWIJYIKVBSQUMB-OBNUAKFSSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716027049 1420484147 /nfs/dbraw/zinc/48/41/47/1420484147.db2.gz LFVBRZIWILYBNK-IPLHWJFFSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001716050356 1420514402 /nfs/dbraw/zinc/51/44/02/1420514402.db2.gz HUSIUYDCFVLIPI-WOJBJXKFSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001716301124 1420597972 /nfs/dbraw/zinc/59/79/72/1420597972.db2.gz SLQOCNWRYZLQSW-SREVYHEPSA-N 2 0 349.544 3.266 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716303565 1420598283 /nfs/dbraw/zinc/59/82/83/1420598283.db2.gz PYZLXXDZTWBXQP-MJRGOJFPSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001716455205 1420670003 /nfs/dbraw/zinc/67/00/03/1420670003.db2.gz RYQPRRQFIFHABV-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733268565 1429428922 /nfs/dbraw/zinc/42/89/22/1429428922.db2.gz MMAHFGBCBWOEHX-KSVABPJQSA-N 2 0 347.547 3.329 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001716491890 1420713504 /nfs/dbraw/zinc/71/35/04/1420713504.db2.gz HTCYBXUSQQZHSW-QZTJIDSGSA-N 2 0 333.520 3.143 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001716496056 1420719780 /nfs/dbraw/zinc/71/97/80/1420719780.db2.gz NULCJBRBVSBBJD-DNVCBOLYSA-N 2 0 343.531 3.072 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716549885 1420757845 /nfs/dbraw/zinc/75/78/45/1420757845.db2.gz MAEVCXZYBGYCJW-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1)CC(C)(C)C ZINC001716663673 1420817481 /nfs/dbraw/zinc/81/74/81/1420817481.db2.gz YOGRYCSQVAIDEL-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+][C@H](C)c3ccccc3C)CC2)CC[N@@H+]1C ZINC001716682244 1420836228 /nfs/dbraw/zinc/83/62/28/1420836228.db2.gz LFGKFNCIOOHDQD-NZSAHSFTSA-N 2 0 343.515 3.025 10 0 EGAERP C[C@H](C(=O)NCC1([NH2+]CCCC2CCCC2)CC1)[NH+]1CCCCCC1 ZINC001716695823 1420848346 /nfs/dbraw/zinc/84/83/46/1420848346.db2.gz MUCCOOYWDKMUEY-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001716731547 1420890513 /nfs/dbraw/zinc/89/05/13/1420890513.db2.gz OCXRYWNYMPSCAW-GVZHBMFQSA-N 2 0 347.547 3.142 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001716812952 1420938712 /nfs/dbraw/zinc/93/87/12/1420938712.db2.gz WAZVMGNSZWNAGT-VQTJNVASSA-N 2 0 339.483 3.091 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001716820808 1420947010 /nfs/dbraw/zinc/94/70/10/1420947010.db2.gz JGOQWSAKYGXIDB-WDSOQIARSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001716829879 1420956035 /nfs/dbraw/zinc/95/60/35/1420956035.db2.gz FFGNCFDJXAUUCV-BXKJMJEDSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001716889168 1421012977 /nfs/dbraw/zinc/01/29/77/1421012977.db2.gz ZCKGMUZIWXOKGS-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001716968691 1421056182 /nfs/dbraw/zinc/05/61/82/1421056182.db2.gz DMOLBNRGCZPOBU-QZTJIDSGSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001717036659 1421091036 /nfs/dbraw/zinc/09/10/36/1421091036.db2.gz VEEKONPMMLKMOO-DFQSSKMNSA-N 2 0 349.563 3.076 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001717042382 1421097021 /nfs/dbraw/zinc/09/70/21/1421097021.db2.gz PMLSCYMDMZXPND-GBESFXJTSA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)C1(C(=O)NCc2ccccc2C[N@H+](C)CCC2CC2)CCC1 ZINC001717113585 1421117111 /nfs/dbraw/zinc/11/71/11/1421117111.db2.gz ZUBQKUOUKLHYRT-UHFFFAOYSA-N 2 0 343.515 3.019 10 0 EGAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001717215561 1421192912 /nfs/dbraw/zinc/19/29/12/1421192912.db2.gz NXMWAMMZMXHFAD-IBGZPJMESA-N 2 0 337.552 3.243 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717216036 1421193621 /nfs/dbraw/zinc/19/36/21/1421193621.db2.gz CJTLPQCTDHILPB-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1)[NH+](C)C ZINC001717297909 1421241350 /nfs/dbraw/zinc/24/13/50/1421241350.db2.gz NJAYWFUMEMXMRX-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)C)CC1 ZINC001717304704 1421246408 /nfs/dbraw/zinc/24/64/08/1421246408.db2.gz PULUAQNDFNSAHL-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)C)CC1 ZINC001717304703 1421246488 /nfs/dbraw/zinc/24/64/88/1421246488.db2.gz PULUAQNDFNSAHL-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001717336101 1421273648 /nfs/dbraw/zinc/27/36/48/1421273648.db2.gz NORTTXVMYIFPJC-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001717358994 1421294003 /nfs/dbraw/zinc/29/40/03/1421294003.db2.gz QYJKLOUCWZUDCQ-QYZOEREBSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001717368523 1421305414 /nfs/dbraw/zinc/30/54/14/1421305414.db2.gz CRPCLABETUNSCP-QAPCUYQASA-N 2 0 342.487 3.225 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001717379549 1421323675 /nfs/dbraw/zinc/32/36/75/1421323675.db2.gz XBYUINNABIPSNE-UXHICEINSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC2CC(C[NH2+]CCC(C)(C)C)C2)cc1 ZINC001717391359 1421328779 /nfs/dbraw/zinc/32/87/79/1421328779.db2.gz NENJHTJHPNZCBN-UHFFFAOYSA-N 2 0 345.531 3.282 10 0 EGAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717456584 1421385851 /nfs/dbraw/zinc/38/58/51/1421385851.db2.gz CYAAHPNEENNUML-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC001717473609 1421406481 /nfs/dbraw/zinc/40/64/81/1421406481.db2.gz UPIQPBNJBYEDJZ-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733296082 1429478648 /nfs/dbraw/zinc/47/86/48/1429478648.db2.gz PDOAEOQMSFAZDU-QYUKCPRWSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001717513517 1421450413 /nfs/dbraw/zinc/45/04/13/1421450413.db2.gz WBKUKKUXLCBVGQ-RBUKOAKNSA-N 2 0 337.552 3.288 10 0 EGAERP CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001717523097 1421459079 /nfs/dbraw/zinc/45/90/79/1421459079.db2.gz DUVAWXVNZCIJRX-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@H](C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1)[NH+]1CCCCCC1 ZINC001717526007 1421461488 /nfs/dbraw/zinc/46/14/88/1421461488.db2.gz MBIUKTMUGZOLTN-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001717542586 1421482925 /nfs/dbraw/zinc/48/29/25/1421482925.db2.gz HZTAMXMVMSIDRM-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717587702 1421516227 /nfs/dbraw/zinc/51/62/27/1421516227.db2.gz KKQCXJJMBLXESO-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CC1(C)C[N@H+](CC2CCCC2)C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001717589850 1421518722 /nfs/dbraw/zinc/51/87/22/1421518722.db2.gz SDRVAVFBJOWQOO-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001717590108 1421518833 /nfs/dbraw/zinc/51/88/33/1421518833.db2.gz VWMYUWQZPMMXBV-HKUYNNGSSA-N 2 0 345.531 3.223 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717642312 1421546723 /nfs/dbraw/zinc/54/67/23/1421546723.db2.gz QBWCREJHGXMIBH-BZSNNMDCSA-N 2 0 343.515 3.025 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001717701375 1421574495 /nfs/dbraw/zinc/57/44/95/1421574495.db2.gz BKGXYCLBESWGBJ-LJQANCHMSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717702317 1421575724 /nfs/dbraw/zinc/57/57/24/1421575724.db2.gz VDMSWOOYVOQOBB-SNAWJCMRSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCCCC1 ZINC001717744726 1421607975 /nfs/dbraw/zinc/60/79/75/1421607975.db2.gz HKQBHRVBXVGBFZ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001717839309 1421653584 /nfs/dbraw/zinc/65/35/84/1421653584.db2.gz FYOYCZWHVINNNU-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717959771 1421731265 /nfs/dbraw/zinc/73/12/65/1421731265.db2.gz RFZFGHCJYGRWHW-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C)C1 ZINC001717964654 1421735900 /nfs/dbraw/zinc/73/59/00/1421735900.db2.gz AYZPYRWLYSBYIH-MSOLQXFVSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717966140 1421737908 /nfs/dbraw/zinc/73/79/08/1421737908.db2.gz CYFMQDSHKPNUQH-IBGZPJMESA-N 2 0 347.547 3.382 10 0 EGAERP CCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001718002885 1421769230 /nfs/dbraw/zinc/76/92/30/1421769230.db2.gz JTWUYKQBKKLQPP-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001733327870 1429513503 /nfs/dbraw/zinc/51/35/03/1429513503.db2.gz MGHRHDOXDOIJGZ-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001733355945 1429537107 /nfs/dbraw/zinc/53/71/07/1429537107.db2.gz GYEBNZNZGYVYRZ-LSLCWXNRSA-N 2 0 347.547 3.330 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)C1CCC1 ZINC001733380322 1429564815 /nfs/dbraw/zinc/56/48/15/1429564815.db2.gz OPYRLBJTBMCYQD-FQEVSTJZSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CCCC1 ZINC001733386045 1429573135 /nfs/dbraw/zinc/57/31/35/1429573135.db2.gz AOCKXYHYXALZGT-IBGZPJMESA-N 2 0 349.563 3.172 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001733406995 1429604123 /nfs/dbraw/zinc/60/41/23/1429604123.db2.gz WHFZDFPKXVNODC-HXUWFJFHSA-N 2 0 342.487 3.417 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001723203493 1424319953 /nfs/dbraw/zinc/31/99/53/1424319953.db2.gz KIJJQRILEJTDQP-LJQANCHMSA-N 2 0 345.531 3.370 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001723324773 1424351775 /nfs/dbraw/zinc/35/17/75/1424351775.db2.gz SLEXWKWOQJEYLC-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001723375992 1424377040 /nfs/dbraw/zinc/37/70/40/1424377040.db2.gz CXWAHIRTMDKKCW-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001723919685 1424604413 /nfs/dbraw/zinc/60/44/13/1424604413.db2.gz QCKRWLBAYXJEAX-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733538331 1429744779 /nfs/dbraw/zinc/74/47/79/1429744779.db2.gz NIANLRSEIMBTCO-DLBZAZTESA-N 2 0 339.568 3.227 10 0 EGAERP C[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCCCC1 ZINC001724097431 1424660780 /nfs/dbraw/zinc/66/07/80/1424660780.db2.gz HDCHMEUOAAESGL-YLJYHZDGSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001724108378 1424668518 /nfs/dbraw/zinc/66/85/18/1424668518.db2.gz CMWBTWGXNBVCDO-KRWDZBQOSA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001724174503 1424709421 /nfs/dbraw/zinc/70/94/21/1424709421.db2.gz RDVJYBSRIZBTDK-VQIMIIECSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724244124 1424752734 /nfs/dbraw/zinc/75/27/34/1424752734.db2.gz JGJAEXAJCYOYTJ-WIYYLYMNSA-N 2 0 345.531 3.144 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001724321467 1424806263 /nfs/dbraw/zinc/80/62/63/1424806263.db2.gz JAEXMGRDGDUOPS-YFVAEKQCSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001724654888 1425020671 /nfs/dbraw/zinc/02/06/71/1425020671.db2.gz UBUYBNSJXHEORI-VAMGGRTRSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)(C)CCC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724713593 1425068197 /nfs/dbraw/zinc/06/81/97/1425068197.db2.gz ZSSHYRMLUQNEEK-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001724716360 1425069799 /nfs/dbraw/zinc/06/97/99/1425069799.db2.gz TWWQSPOUWSDPDH-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001724742535 1425110096 /nfs/dbraw/zinc/11/00/96/1425110096.db2.gz AYQGVKIUHXYRST-IEBWSBKVSA-N 2 0 345.531 3.341 10 0 EGAERP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001724742977 1425110840 /nfs/dbraw/zinc/11/08/40/1425110840.db2.gz DKZVSSAZVJFACH-SJORKVTESA-N 2 0 331.504 3.238 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)[NH+]1CCCCC1 ZINC001724787251 1425153834 /nfs/dbraw/zinc/15/38/34/1425153834.db2.gz VMTNLKMPXSEGDD-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CCC1CCCCC1 ZINC001724942393 1425326701 /nfs/dbraw/zinc/32/67/01/1425326701.db2.gz CULPHGKELVYJOV-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]Cc2cccc(F)c2)CC1 ZINC001724962268 1425351775 /nfs/dbraw/zinc/35/17/75/1425351775.db2.gz TYCSLXJOUFJPHR-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001725027556 1425448030 /nfs/dbraw/zinc/44/80/30/1425448030.db2.gz SLEDWRWPPPWOHD-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725150234 1425635168 /nfs/dbraw/zinc/63/51/68/1425635168.db2.gz SFXBPAZXDDJGPA-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001725167158 1425672063 /nfs/dbraw/zinc/67/20/63/1425672063.db2.gz USNUNTNUPHTKIO-MSOLQXFVSA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001725171490 1425681090 /nfs/dbraw/zinc/68/10/90/1425681090.db2.gz IDMRBAJWQLTDFY-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(CF)cc2)CCCCC1 ZINC001725225937 1425793930 /nfs/dbraw/zinc/79/39/30/1425793930.db2.gz GBSYXRIFRYGADF-UHFFFAOYSA-N 2 0 349.494 3.017 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001725229761 1425801709 /nfs/dbraw/zinc/80/17/09/1425801709.db2.gz PLHUPFNVGDKHMH-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269485 1425905268 /nfs/dbraw/zinc/90/52/68/1425905268.db2.gz SDDGQVBOJJSRKH-PXNSSMCTSA-N 2 0 347.547 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001725282238 1425918400 /nfs/dbraw/zinc/91/84/00/1425918400.db2.gz BXBIUCDMMSJQDT-VANUVFSVSA-N 2 0 349.563 3.432 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001725361765 1426012396 /nfs/dbraw/zinc/01/23/96/1426012396.db2.gz XXGLBFVZIYVCBC-FCGDIQPGSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001725420520 1426069517 /nfs/dbraw/zinc/06/95/17/1426069517.db2.gz NTLQZGJZPQVRRB-RTBURBONSA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001725437858 1426098913 /nfs/dbraw/zinc/09/89/13/1426098913.db2.gz DPCPJICRAWDTFP-WOJBJXKFSA-N 2 0 345.531 3.495 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471844 1426143100 /nfs/dbraw/zinc/14/31/00/1426143100.db2.gz JWVICTSVZQFUEV-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001725478179 1426152043 /nfs/dbraw/zinc/15/20/43/1426152043.db2.gz CHJLIMGFYRSTLP-SJORKVTESA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CCCCCC1 ZINC001725488370 1426165382 /nfs/dbraw/zinc/16/53/82/1426165382.db2.gz FQAQIDMXLAIXRJ-YQVWRLOYSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001725574752 1426232151 /nfs/dbraw/zinc/23/21/51/1426232151.db2.gz OCLWLKVSKJPBNE-AZUAARDMSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725582625 1426238594 /nfs/dbraw/zinc/23/85/94/1426238594.db2.gz CXGXKBMLQLWWBK-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725582623 1426238897 /nfs/dbraw/zinc/23/88/97/1426238897.db2.gz CXGXKBMLQLWWBK-ICSRJNTNSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725600819 1426256116 /nfs/dbraw/zinc/25/61/16/1426256116.db2.gz SHKBYMRKKKMVFV-RDJZCZTQSA-N 2 0 342.487 3.416 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)C[NH+](C)C1CCC1 ZINC001725728937 1426396367 /nfs/dbraw/zinc/39/63/67/1426396367.db2.gz WRHUSBLWHVAMCU-UHFFFAOYSA-N 2 0 337.552 3.076 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001725754849 1426434127 /nfs/dbraw/zinc/43/41/27/1426434127.db2.gz KESNQMMISMDCFA-QGZVFWFLSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001725763381 1426444910 /nfs/dbraw/zinc/44/49/10/1426444910.db2.gz TYRDJQCNBFPTHW-XZZFYQAUSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725769527 1426452534 /nfs/dbraw/zinc/45/25/34/1426452534.db2.gz WMJJNOMRSRLTRS-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001725786822 1426472904 /nfs/dbraw/zinc/47/29/04/1426472904.db2.gz PQUSUTUSMOMEAX-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001725816096 1426493340 /nfs/dbraw/zinc/49/33/40/1426493340.db2.gz IKSCFSQBPUEKJZ-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@H+](Cc2ccsc2)CC1)[NH+](CC)CC ZINC001725824041 1426498632 /nfs/dbraw/zinc/49/86/32/1426498632.db2.gz OJZHAUJQILZVQG-GOSISDBHSA-N 2 0 349.544 3.117 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+](CCC)C2)c(F)c1 ZINC001725832304 1426510867 /nfs/dbraw/zinc/51/08/67/1426510867.db2.gz CDDAYJMYLXCTBW-SFHVURJKSA-N 2 0 349.494 3.064 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001731294495 1427236938 /nfs/dbraw/zinc/23/69/38/1427236938.db2.gz RGNXGLOUPDONIH-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001731350402 1427288591 /nfs/dbraw/zinc/28/85/91/1427288591.db2.gz GTSBMHYSZUKROE-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001731388046 1427337517 /nfs/dbraw/zinc/33/75/17/1427337517.db2.gz RISKEPLGHGFUPQ-WAYWQWQTSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001731426768 1427407770 /nfs/dbraw/zinc/40/77/70/1427407770.db2.gz IKLFUSFPYBVHAU-YSTOQKLRSA-N 2 0 347.547 3.115 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccsc2)C1)C1CCCCC1 ZINC001731449008 1427426190 /nfs/dbraw/zinc/42/61/90/1427426190.db2.gz FBGFIWOUBGCPBC-QAQDUYKDSA-N 2 0 349.544 3.140 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001731499255 1427477459 /nfs/dbraw/zinc/47/74/59/1427477459.db2.gz DOLBALXSRLRQTO-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001731522571 1427511267 /nfs/dbraw/zinc/51/12/67/1427511267.db2.gz DXDWRACPVWYXRC-JTHGQSKGSA-N 2 0 337.552 3.149 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001731549264 1427566845 /nfs/dbraw/zinc/56/68/45/1427566845.db2.gz MKCPPBXPOIGGOB-UXHICEINSA-N 2 0 345.531 3.450 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC=C(C)C ZINC001731552171 1427574346 /nfs/dbraw/zinc/57/43/46/1427574346.db2.gz RCNPTZLWBGOFTN-MOPGFXCFSA-N 2 0 335.536 3.140 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001731601420 1427644667 /nfs/dbraw/zinc/64/46/67/1427644667.db2.gz NQQJVSRCCYLUCP-MSOLQXFVSA-N 2 0 343.515 3.026 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+][C@@H](C)CNC(=O)C[N@@H+](C)C(C)C)c(C)c1C ZINC001731640972 1427700536 /nfs/dbraw/zinc/70/05/36/1427700536.db2.gz RLMOPBNCIMKUAS-AWEZNQCLSA-N 2 0 347.547 3.163 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001731695316 1427744860 /nfs/dbraw/zinc/74/48/60/1427744860.db2.gz BTNAXONBILQZNI-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001731701139 1427752855 /nfs/dbraw/zinc/75/28/55/1427752855.db2.gz UOVYTZPBWBNESF-OALUTQOASA-N 2 0 335.536 3.236 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)CC1=CCCCC1 ZINC001731815884 1428010422 /nfs/dbraw/zinc/01/04/22/1428010422.db2.gz FRHDDFHNCOMELW-FQEVSTJZSA-N 2 0 349.563 3.435 10 0 EGAERP O=C(NCC[N@H+](CCC1CCCCC1)C1CC1)[C@@]12CC[NH+](C1)CCC2 ZINC001731884975 1428159336 /nfs/dbraw/zinc/15/93/36/1428159336.db2.gz RWPZLMRCOJMADX-NRFANRHFSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885099 1428160372 /nfs/dbraw/zinc/16/03/72/1428160372.db2.gz FCQWEBVBZBCOEB-IRXDYDNUSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001731943143 1428178020 /nfs/dbraw/zinc/17/80/20/1428178020.db2.gz BYOIFKUVXMFYBP-ROUUACIJSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH2+]CC/C=C\c1ccccc1 ZINC001731985777 1428196938 /nfs/dbraw/zinc/19/69/38/1428196938.db2.gz DNGZMOMZEOGESG-DVYMXEPTSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)CC[N@H+]1C[C@H]2CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001733582061 1429785657 /nfs/dbraw/zinc/78/56/57/1429785657.db2.gz SCTNBMSEMZCBPW-KDURUIRLSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733596949 1429795335 /nfs/dbraw/zinc/79/53/35/1429795335.db2.gz DJRZSSYODSHWTC-VAMGGRTRSA-N 2 0 349.563 3.361 10 0 EGAERP CCCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001733676323 1429870847 /nfs/dbraw/zinc/87/08/47/1429870847.db2.gz DFFPJEIMGFBIEY-HXUWFJFHSA-N 2 0 345.531 3.409 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001733716520 1429935221 /nfs/dbraw/zinc/93/52/21/1429935221.db2.gz VAWNHSASCISMEZ-LJQANCHMSA-N 2 0 349.563 3.460 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001733762831 1429980629 /nfs/dbraw/zinc/98/06/29/1429980629.db2.gz QJCZRMRHPPNZJJ-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733765443 1429986030 /nfs/dbraw/zinc/98/60/30/1429986030.db2.gz WISOVZLPEFXNRM-PXPVJAHISA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001733874524 1437700594 /nfs/dbraw/zinc/70/05/94/1437700594.db2.gz BVVMBHBSBCFILR-OKZBNKHCSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001733919093 1437732739 /nfs/dbraw/zinc/73/27/39/1437732739.db2.gz YASUJZCOSGKNNI-KBAYOESNSA-N 2 0 346.519 3.120 10 0 EGAERP Cc1c(C(=O)N2CCC[C@@H]2C[N@@H+](C)CCC(C)C)ccc2c[nH+]cn21 ZINC001733932625 1437746044 /nfs/dbraw/zinc/74/60/44/1437746044.db2.gz PVKHFYPTMHEHSD-GOSISDBHSA-N 2 0 342.487 3.225 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC1CCC2(CC2)CC1 ZINC001733942939 1437759018 /nfs/dbraw/zinc/75/90/18/1437759018.db2.gz DXRVQECISPHISL-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC(C)C)CC1)[NH+](CC)CC ZINC001734012414 1437803782 /nfs/dbraw/zinc/80/37/82/1437803782.db2.gz YJJCFAMFYPECET-ABHNRTSZSA-N 2 0 325.541 3.122 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001734095665 1437879715 /nfs/dbraw/zinc/87/97/15/1437879715.db2.gz ALHMQRSAEPTZJO-OALUTQOASA-N 2 0 337.552 3.173 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001734105514 1437891791 /nfs/dbraw/zinc/89/17/91/1437891791.db2.gz DCDWAQVOPGEDRW-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001734150253 1437918231 /nfs/dbraw/zinc/91/82/31/1437918231.db2.gz QQGVTHQITFKUNH-PKOBYXMFSA-N 2 0 345.531 3.143 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001734233668 1437951650 /nfs/dbraw/zinc/95/16/50/1437951650.db2.gz LJMOQANRMFJDSK-ICSRJNTNSA-N 2 0 345.531 3.242 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)cc1C ZINC001734286582 1438015056 /nfs/dbraw/zinc/01/50/56/1438015056.db2.gz FPHQLIJCAMTTJA-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](CCNC(=O)C1([NH+](C)C)CCC1)C(C)C ZINC001734286449 1438015169 /nfs/dbraw/zinc/01/51/69/1438015169.db2.gz NKNWFUDQSBQPQX-LJQANCHMSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001734427606 1438092551 /nfs/dbraw/zinc/09/25/51/1438092551.db2.gz JATTWDRMXATDEU-AZUAARDMSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@@H]21 ZINC001734444801 1438106159 /nfs/dbraw/zinc/10/61/59/1438106159.db2.gz KEWHAPJPTSEDEL-CEXWTWQISA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](C[C@@H](C)CC(C)C)CC2 ZINC001734444671 1438106214 /nfs/dbraw/zinc/10/62/14/1438106214.db2.gz VWGTXESFXJHVTC-BJLQDIEVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734484969 1438128440 /nfs/dbraw/zinc/12/84/40/1438128440.db2.gz QGRHJOVZPBNPGA-QUCCMNQESA-N 2 0 345.531 3.282 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001734494745 1438131911 /nfs/dbraw/zinc/13/19/11/1438131911.db2.gz BYIXSONJXDACAQ-VXOKQSJXSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001734500294 1438134720 /nfs/dbraw/zinc/13/47/20/1438134720.db2.gz JDBUUXUTUPLOQC-QGZVFWFLSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001734503655 1438136476 /nfs/dbraw/zinc/13/64/76/1438136476.db2.gz FUACRYQOBRTJGT-LJQANCHMSA-N 2 0 345.531 3.235 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734554876 1438154125 /nfs/dbraw/zinc/15/41/25/1438154125.db2.gz UYKCFFHTGOLYHM-SFHVURJKSA-N 2 0 349.563 3.077 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C ZINC001734564210 1438160482 /nfs/dbraw/zinc/16/04/82/1438160482.db2.gz MNEHSYHAMDDBSI-MOPGFXCFSA-N 2 0 349.563 3.482 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CC([NH2+]CCCC3CCC3)C2)C1 ZINC001734600303 1438182616 /nfs/dbraw/zinc/18/26/16/1438182616.db2.gz SQSVXNCVHYCTTM-XEVCZEQESA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001750945397 1440118207 /nfs/dbraw/zinc/11/82/07/1440118207.db2.gz SSCOJQPDCLAKFN-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP C[NH2+][C@H](C)c1cc(Br)ccc1OCC[NH+]1CCCC1 ZINC000052067091 214114471 /nfs/dbraw/zinc/11/44/71/214114471.db2.gz HCJJJPKGFRRGPI-GFCCVEGCSA-N 2 0 327.266 3.204 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000101593399 219143151 /nfs/dbraw/zinc/14/31/51/219143151.db2.gz ROQFFGGVABVYPH-AWEZNQCLSA-N 2 0 346.393 3.068 10 0 EGAERP [NH3+][C@H]1CCC[C@@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000166414947 283627843 /nfs/dbraw/zinc/62/78/43/283627843.db2.gz CIQLBYGXQKQBBI-UXHICEINSA-N 2 0 343.515 3.196 10 0 EGAERP Cc1cc(C)n2c(C[NH2+][C@H]3CCN(Cc4ccccc4)[C@H]3C)cnc2n1 ZINC000377405210 169021327 /nfs/dbraw/zinc/02/13/27/169021327.db2.gz UOLVCRIDCZWKPY-PXNSSMCTSA-N 2 0 349.482 3.099 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000268836350 252284268 /nfs/dbraw/zinc/28/42/68/252284268.db2.gz BNALISFYXXGUNB-QIJUGHKUSA-N 2 0 338.495 3.090 10 0 EGAERP CSCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000173682788 533562418 /nfs/dbraw/zinc/56/24/18/533562418.db2.gz YKYYNEHPWXICDH-LJQANCHMSA-N 2 0 336.545 3.117 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246506932 141012755 /nfs/dbraw/zinc/01/27/55/141012755.db2.gz IAKWDFGPTBNSNS-ZFWWWQNUSA-N 2 0 342.430 3.459 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C)C1 ZINC000246784304 141033736 /nfs/dbraw/zinc/03/37/36/141033736.db2.gz INRJYRZTVGNXNS-DOTOQJQBSA-N 2 0 347.528 3.153 10 0 EGAERP Cc1cc(C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)sc1C ZINC000172752468 144027163 /nfs/dbraw/zinc/02/71/63/144027163.db2.gz QTLKLLIVKDVHBS-UHFFFAOYSA-N 2 0 349.544 3.045 10 0 EGAERP COC[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000187891957 144166188 /nfs/dbraw/zinc/16/61/88/144166188.db2.gz JANFSWHITRFNQT-LEWJYISDSA-N 2 0 346.515 3.072 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)CC2CCCC2)CC1 ZINC000351597265 144285411 /nfs/dbraw/zinc/28/54/11/144285411.db2.gz KDDFDTVTFPSXQU-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341557344 155351516 /nfs/dbraw/zinc/35/15/16/155351516.db2.gz DFDZJNHFYSOAFG-ZWKOTPCHSA-N 2 0 349.544 3.002 10 0 EGAERP CN1CC[NH+]([C@@H]2CCCCN(Cc3cc(Cl)ccc3F)C2)CC1 ZINC000189721073 153092195 /nfs/dbraw/zinc/09/21/95/153092195.db2.gz IEPXHJJHQLRNPD-QGZVFWFLSA-N 2 0 339.886 3.081 10 0 EGAERP CN1CCN([C@@H]2CCCC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000189721212 153092788 /nfs/dbraw/zinc/09/27/88/153092788.db2.gz FZTKCBJYVYBBNS-DPZZJQGRSA-N 2 0 347.934 3.455 10 0 EGAERP CC[N@H+](CC(=O)OC(C)(C)C)C1CCN(c2cc[nH+]cc2C)CC1 ZINC000192923735 153265979 /nfs/dbraw/zinc/26/59/79/153265979.db2.gz KDUZGGMNAMFKEP-UHFFFAOYSA-N 2 0 333.476 3.022 10 0 EGAERP C[NH+]1CCC(CC(=O)NCc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000346892447 156183871 /nfs/dbraw/zinc/18/38/71/156183871.db2.gz XBQKREJPVOJFAQ-UHFFFAOYSA-N 2 0 343.515 3.021 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)c1 ZINC000372766588 157379273 /nfs/dbraw/zinc/37/92/73/157379273.db2.gz LJZHKZAEFGCWAX-SESVDKBCSA-N 2 0 346.515 3.312 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@H](C)C1 ZINC000093795179 162028202 /nfs/dbraw/zinc/02/82/02/162028202.db2.gz BHFUDHLMSOUFGO-QMMLZNLJSA-N 2 0 346.515 3.407 10 0 EGAERP C[N@H+](CCN1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248571006 163016057 /nfs/dbraw/zinc/01/60/57/163016057.db2.gz QZBYKXULYXHNBJ-NQIIRXRSSA-N 2 0 345.506 3.206 10 0 EGAERP C[N@H+](CCN1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1)Cc1ccc(F)cc1 ZINC000248570999 163016220 /nfs/dbraw/zinc/01/62/20/163016220.db2.gz QZBYKXULYXHNBJ-GHTZIAJQSA-N 2 0 345.506 3.206 10 0 EGAERP Cc1cnn(CC[NH2+][C@H]2CCN(Cc3ccccc3)CC2(C)C)c1 ZINC000338328477 163213058 /nfs/dbraw/zinc/21/30/58/163213058.db2.gz TUVHLHAUDFFYTR-IBGZPJMESA-N 2 0 326.488 3.082 10 0 EGAERP C[C@@H]([NH2+]CCOCC[NH2+][C@@H](C)c1cccc(O)c1)c1cccc(O)c1 ZINC000181548099 287029207 /nfs/dbraw/zinc/02/92/07/287029207.db2.gz HDTRLNONWUNABV-IYBDPMFKSA-N 2 0 344.455 3.116 10 0 EGAERP CCCC[C@@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912071 164064412 /nfs/dbraw/zinc/06/44/12/164064412.db2.gz BUAICBMTCOHHGO-WOJBJXKFSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@H](c1cccc(Cl)c1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344069255 164096734 /nfs/dbraw/zinc/09/67/34/164096734.db2.gz QPQUJFWIYKUFNT-CQSZACIVSA-N 2 0 329.891 3.355 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[N@@H+](C2CCCC2)CC1 ZINC000346180295 164357705 /nfs/dbraw/zinc/35/77/05/164357705.db2.gz PWLPKOKPOWTGHW-UHFFFAOYSA-N 2 0 339.487 3.026 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccccc2OCCOC)CC1 ZINC000350177733 165016634 /nfs/dbraw/zinc/01/66/34/165016634.db2.gz UBJCZUIVCHVKIU-UHFFFAOYSA-N 2 0 334.504 3.266 10 0 EGAERP COc1cc2c(NCCC[NH+]3C[C@@H](C)O[C@H](C)C3)cc[nH+]c2cc1F ZINC000359461552 167163409 /nfs/dbraw/zinc/16/34/09/167163409.db2.gz ZEQUEXSDUJVGLS-ZIAGYGMSSA-N 2 0 347.434 3.294 10 0 EGAERP Cc1nccn1CCN1CCO[C@@H](c2ccccc2C(F)(F)F)C1 ZINC000359541541 167186017 /nfs/dbraw/zinc/18/60/17/167186017.db2.gz RNJUUUOVLLGFQL-MRXNPFEDSA-N 2 0 339.361 3.284 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCc2ccccc2C(=O)OC)CC1 ZINC000359838866 167244692 /nfs/dbraw/zinc/24/46/92/167244692.db2.gz PYVVLFDHJGLPOT-UHFFFAOYSA-N 2 0 332.488 3.070 10 0 EGAERP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000367605175 168248374 /nfs/dbraw/zinc/24/83/74/168248374.db2.gz FNUUTWVKIVXQFC-MYGYKHERSA-N 2 0 330.516 3.079 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367618211 168250135 /nfs/dbraw/zinc/25/01/35/168250135.db2.gz SERRPVOVJPRXRT-VAMGGRTRSA-N 2 0 332.488 3.064 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367617036 168250815 /nfs/dbraw/zinc/25/08/15/168250815.db2.gz PIYANVSVUCXGPA-XUVXKRRUSA-N 2 0 343.515 3.131 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000121695671 221908345 /nfs/dbraw/zinc/90/83/45/221908345.db2.gz RWRNAODLHBXGAY-QGZVFWFLSA-N 2 0 334.504 3.484 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1C[C@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000185344790 265490988 /nfs/dbraw/zinc/49/09/88/265490988.db2.gz SJJZZWWHTMFSKO-FUHWJXTLSA-N 2 0 325.456 3.009 10 0 EGAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275584767 267385267 /nfs/dbraw/zinc/38/52/67/267385267.db2.gz NZABCJOFNGQZBC-AYWYSENESA-N 2 0 328.500 3.290 10 0 EGAERP Cc1nc(F)ccc1CN(C)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278510844 268028581 /nfs/dbraw/zinc/02/85/81/268028581.db2.gz WSIGHISQERGMIX-SFHVURJKSA-N 2 0 327.447 3.483 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2CCO[C@H](C(F)(F)F)C2)ccc1F ZINC000287789061 276157171 /nfs/dbraw/zinc/15/71/71/276157171.db2.gz SRQDPGTWUCYIKO-ZFWWWQNUSA-N 2 0 334.357 3.087 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000128406165 277051594 /nfs/dbraw/zinc/05/15/94/277051594.db2.gz YMUPQLOUXHGACH-SFHVURJKSA-N 2 0 349.494 3.045 10 0 EGAERP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177967 309065134 /nfs/dbraw/zinc/06/51/34/309065134.db2.gz JKWXXXCSELWHRZ-IAGOWNOFSA-N 2 0 326.488 3.470 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)[C@H](C)CC)CC1 ZINC000236783624 307944160 /nfs/dbraw/zinc/94/41/60/307944160.db2.gz AEYBAYWNRROVCP-WIYYLYMNSA-N 2 0 347.547 3.105 10 0 EGAERP Cc1nn(-c2cccc(F)c2)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000414355914 309074737 /nfs/dbraw/zinc/07/47/37/309074737.db2.gz CUWSJIDVAUEXMY-YQQQUEKLSA-N 2 0 342.462 3.425 10 0 EGAERP CC1(C)OCC[C@@H]1[NH2+]Cc1cccc(C[NH2+][C@H]2CCOC2(C)C)c1 ZINC000295252274 308307469 /nfs/dbraw/zinc/30/74/69/308307469.db2.gz QNRPFGJIPFLDOB-ROUUACIJSA-N 2 0 332.488 3.001 10 0 EGAERP COc1ccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414808127 309102784 /nfs/dbraw/zinc/10/27/84/309102784.db2.gz KGNHYMXDMVPFFW-AWEZNQCLSA-N 2 0 336.439 3.395 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)cc1 ZINC000414817854 309103499 /nfs/dbraw/zinc/10/34/99/309103499.db2.gz TZVCDZCXHYHBRD-HNNXBMFYSA-N 2 0 338.430 3.380 10 0 EGAERP [NH3+][C@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000414827091 309104166 /nfs/dbraw/zinc/10/41/66/309104166.db2.gz GMFDVXYRCSEIJS-OAQYLSRUSA-N 2 0 341.474 3.122 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414918811 309109354 /nfs/dbraw/zinc/10/93/54/309109354.db2.gz VHIANHKGELNMMV-MLGOLLRUSA-N 2 0 343.284 3.499 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OCc1ccccc1 ZINC000414949006 309110984 /nfs/dbraw/zinc/11/09/84/309110984.db2.gz ZHXDTCTWTCGTEA-APWZRJJASA-N 2 0 340.467 3.362 10 0 EGAERP CC[C@H]1C[C@@H](C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007154 309113893 /nfs/dbraw/zinc/11/38/93/309113893.db2.gz QXUAEYXNJKXIRV-LWCVALJOSA-N 2 0 334.479 3.314 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC[NH2+]C1CC1 ZINC000415065311 309117867 /nfs/dbraw/zinc/11/78/67/309117867.db2.gz FVYQJHSQVAIEJT-NSHDSACASA-N 2 0 329.257 3.251 10 0 EGAERP CC[C@H](C(=O)N1CCC([NH2+]C[C@@H]([NH3+])CC(C)C)CC1)c1ccccc1 ZINC000415106717 309120736 /nfs/dbraw/zinc/12/07/36/309120736.db2.gz NEQCPFBXNHQQKS-ICSRJNTNSA-N 2 0 345.531 3.134 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415118054 309121531 /nfs/dbraw/zinc/12/15/31/309121531.db2.gz DNJOYILEMIWPET-UYAOXDASSA-N 2 0 332.488 3.030 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)NC2CCC(C[NH+](C)C)CC2)c1 ZINC000415910480 309147781 /nfs/dbraw/zinc/14/77/81/309147781.db2.gz HXMCQZMGNLGKHK-UHFFFAOYSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000415940231 309150168 /nfs/dbraw/zinc/15/01/68/309150168.db2.gz DRLZSWCXPXWCCI-JKSUJKDBSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000415940230 309150227 /nfs/dbraw/zinc/15/02/27/309150227.db2.gz DRLZSWCXPXWCCI-HZPDHXFCSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000415949675 309150823 /nfs/dbraw/zinc/15/08/23/309150823.db2.gz ZZTOEZDVGWMDLK-MRXNPFEDSA-N 2 0 332.492 3.040 10 0 EGAERP CCCC[NH+]1CCC(NC(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415956642 309151161 /nfs/dbraw/zinc/15/11/61/309151161.db2.gz OFSIIGZVPXVYEQ-UHFFFAOYSA-N 2 0 332.492 3.182 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000417715541 309219473 /nfs/dbraw/zinc/21/94/73/309219473.db2.gz SVZOCNPRNKRDKK-KRWDZBQOSA-N 2 0 346.519 3.162 10 0 EGAERP COc1ccccc1[C@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000422705634 309364105 /nfs/dbraw/zinc/36/41/05/309364105.db2.gz CMLMNSRGCSOVTD-QLOJAFMTSA-N 2 0 345.531 3.329 10 0 EGAERP C[C@@H](Cc1cccc(Br)c1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422753073 309366652 /nfs/dbraw/zinc/36/66/52/309366652.db2.gz DJOUVBMWYSDQKU-FUJMWEONSA-N 2 0 325.294 3.487 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422802299 309369301 /nfs/dbraw/zinc/36/93/01/309369301.db2.gz HBJBHHCLCPPDPA-LAUBAEHRSA-N 2 0 338.499 3.336 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422903214 309375386 /nfs/dbraw/zinc/37/53/86/309375386.db2.gz VTCPAECXLIPWJS-RDTXWAMCSA-N 2 0 329.419 3.491 10 0 EGAERP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422956029 309378029 /nfs/dbraw/zinc/37/80/29/309378029.db2.gz OEWCBSGSAAVYGR-YZLZLFLDSA-N 2 0 331.504 3.238 10 0 EGAERP COc1ccc(COCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422985118 309379575 /nfs/dbraw/zinc/37/95/75/309379575.db2.gz CEVAAQOCLINHGG-HSALFYBXSA-N 2 0 332.488 3.112 10 0 EGAERP COc1ccc([C@H](NCC[C@@H](C)[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423036326 309382157 /nfs/dbraw/zinc/38/21/57/309382157.db2.gz TYHQPGNWUUSJFH-UIFIKXQLSA-N 2 0 345.531 3.342 10 0 EGAERP [NH3+]CC1CCC([NH2+]CCc2cnc(SC3CCCC3)nc2)CC1 ZINC000423129833 309387468 /nfs/dbraw/zinc/38/74/68/309387468.db2.gz FRSYSWKQEZVSCA-UHFFFAOYSA-N 2 0 334.533 3.161 10 0 EGAERP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192368 309389862 /nfs/dbraw/zinc/38/98/62/309389862.db2.gz UQWBZJJZOJZDFV-MTFMMBMASA-N 2 0 331.479 3.305 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423249572 309392410 /nfs/dbraw/zinc/39/24/10/309392410.db2.gz OVSHGUSQACILGC-XMSQKQJNSA-N 2 0 337.511 3.372 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423260344 309392755 /nfs/dbraw/zinc/39/27/55/309392755.db2.gz QCBVQGSHSDQHRS-HOTGVXAUSA-N 2 0 332.492 3.257 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2NCC[NH2+]C1CCCCCC1 ZINC000423281247 309393800 /nfs/dbraw/zinc/39/38/00/309393800.db2.gz BAPJCBGPTVKNPV-TZIWHRDSSA-N 2 0 343.515 3.144 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000423293648 309394358 /nfs/dbraw/zinc/39/43/58/309394358.db2.gz RUXORLAOARHCHD-LLGFUMIMSA-N 3 0 338.499 3.102 10 0 EGAERP C[C@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000423333605 309395802 /nfs/dbraw/zinc/39/58/02/309395802.db2.gz HXYQENUDLKALIA-BURNTYAHSA-N 2 0 327.516 3.161 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000449086153 310035995 /nfs/dbraw/zinc/03/59/95/310035995.db2.gz BAOHKEHNLCOMJX-COPCDDAFSA-N 2 0 341.543 3.298 10 0 EGAERP CCC[C@H](CCO)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449168442 310041988 /nfs/dbraw/zinc/04/19/88/310041988.db2.gz ASEROLGQWWCIHW-UYAOXDASSA-N 2 0 332.532 3.470 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[nH]n1 ZINC000449188270 310043234 /nfs/dbraw/zinc/04/32/34/310043234.db2.gz KAQBSXSLFDYOEA-WMZOPIPTSA-N 2 0 340.515 3.334 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC2(C(N)=O)CCCC2)CC1 ZINC000449227797 310046188 /nfs/dbraw/zinc/04/61/88/310046188.db2.gz WMBJIGSZNMUMAQ-UHFFFAOYSA-N 2 0 337.552 3.301 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CO)CCCC2)CC1 ZINC000449252237 310047792 /nfs/dbraw/zinc/04/77/92/310047792.db2.gz UNIHDYJFYHQEQT-GOSISDBHSA-N 2 0 330.516 3.224 10 0 EGAERP C[C@H]([NH2+]CC1(CF)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449489781 310066364 /nfs/dbraw/zinc/06/63/64/310066364.db2.gz UJHLQBIAWMZVFG-HKUYNNGSSA-N 2 0 334.479 3.253 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)[C@H](C)C2)CC1 ZINC000449493592 310066634 /nfs/dbraw/zinc/06/66/34/310066634.db2.gz FDYDOMOVMGUPEF-WIYYLYMNSA-N 2 0 345.531 3.075 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453137006 310260271 /nfs/dbraw/zinc/26/02/71/310260271.db2.gz UTMVCTYYGMLMHV-FUHWJXTLSA-N 2 0 344.503 3.095 10 0 EGAERP COC1([C@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCOCC1 ZINC000453176403 310262558 /nfs/dbraw/zinc/26/25/58/310262558.db2.gz QSINABMVELFEQG-VIQWUECVSA-N 2 0 338.536 3.203 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)C[NH+](C)C ZINC000453227056 310265332 /nfs/dbraw/zinc/26/53/32/310265332.db2.gz CGCSSCQTJQWDAI-QMTHXVAHSA-N 2 0 329.257 3.363 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2cccc(O)c2Br)CC1 ZINC000459450119 310553528 /nfs/dbraw/zinc/55/35/28/310553528.db2.gz OHYHKFBIRSJTML-UHFFFAOYSA-N 2 0 341.293 3.365 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)CCCc1cccnc1 ZINC000459655821 310566694 /nfs/dbraw/zinc/56/66/94/310566694.db2.gz VHIBCQIMXMXTFD-MRXNPFEDSA-N 2 0 335.455 3.472 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727632 312101246 /nfs/dbraw/zinc/10/12/46/312101246.db2.gz SXTZXEDMJZUYLQ-UZLBHIALSA-N 2 0 327.472 3.428 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513003824 312199933 /nfs/dbraw/zinc/19/99/33/312199933.db2.gz KQIKFMMCROJNIH-VZVUQDNOSA-N 2 0 335.923 3.359 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CSc2ccccc2O1 ZINC000516570626 312330475 /nfs/dbraw/zinc/33/04/75/312330475.db2.gz CNHQJVIGCMENLE-IUODEOHRSA-N 2 0 329.469 3.053 10 0 EGAERP COC[C@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000516932277 312352022 /nfs/dbraw/zinc/35/20/22/312352022.db2.gz IELQTTUKHATJCU-IBGZPJMESA-N 2 0 332.394 3.088 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000519242478 312446335 /nfs/dbraw/zinc/44/63/35/312446335.db2.gz OCVMKLIOGQGWRP-UYAOXDASSA-N 2 0 333.564 3.469 10 0 EGAERP CC(C)[C@@H](C[NH2+]CCc1ccc(C(C)(C)C)cc1)N1CC[NH+](C)CC1 ZINC000519791564 312478996 /nfs/dbraw/zinc/47/89/96/312478996.db2.gz NGMDAGZRQCQZOE-OAQYLSRUSA-N 2 0 345.575 3.388 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000537447556 314181663 /nfs/dbraw/zinc/18/16/63/314181663.db2.gz ZUDKTNSTOYRZLE-YOEHRIQHSA-N 2 0 339.911 3.083 10 0 EGAERP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000538545650 314253918 /nfs/dbraw/zinc/25/39/18/314253918.db2.gz XODDIPMEHYWETF-WDSOQIARSA-N 2 0 345.531 3.225 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(=O)OC)cc2F)CC1 ZINC000548422083 315007399 /nfs/dbraw/zinc/00/73/99/315007399.db2.gz JOVOPADPGCMKAT-UHFFFAOYSA-N 2 0 336.451 3.166 10 0 EGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554045552 315295380 /nfs/dbraw/zinc/29/53/80/315295380.db2.gz NPWWISPZVOJNLO-IAGOWNOFSA-N 2 0 337.552 3.027 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)C1 ZINC000563423146 316019130 /nfs/dbraw/zinc/01/91/30/316019130.db2.gz CXELEXNVQPOUHP-KFWWJZLASA-N 2 0 346.425 3.003 10 0 EGAERP CC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000564658184 316182926 /nfs/dbraw/zinc/18/29/26/316182926.db2.gz FFVHWVNKTSNXDV-UHFFFAOYSA-N 2 0 332.488 3.463 10 0 EGAERP C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000565362502 316314616 /nfs/dbraw/zinc/31/46/16/316314616.db2.gz FSFVUIHVFZTUDV-PXNSSMCTSA-N 2 0 338.499 3.138 10 0 EGAERP C[C@@H]1COCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572119953 317293579 /nfs/dbraw/zinc/29/35/79/317293579.db2.gz DFBXTCMCUWMUSH-YZGWKJHDSA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]CC[C@H](C)[NH+]1CCCCC1 ZINC000572632888 317367983 /nfs/dbraw/zinc/36/79/83/317367983.db2.gz YBFORRZWOUJKCW-RBUKOAKNSA-N 2 0 348.531 3.404 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C[C@@H](C)O1 ZINC000178619795 323359302 /nfs/dbraw/zinc/35/93/02/323359302.db2.gz FRPHPJPBMGLUIV-IAGOWNOFSA-N 2 0 342.487 3.056 10 0 EGAERP c1nn(Cc2ccccc2)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000179411288 323386274 /nfs/dbraw/zinc/38/62/74/323386274.db2.gz KIMRMJVOVQVSKU-UHFFFAOYSA-N 2 0 338.499 3.239 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000579361890 325100047 /nfs/dbraw/zinc/10/00/47/325100047.db2.gz JAQYXSJPMMKVKY-SNPRPXQTSA-N 2 0 343.302 3.263 10 0 EGAERP CCc1nncn1CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000579917172 325175543 /nfs/dbraw/zinc/17/55/43/325175543.db2.gz JWCSSYKLBIUWMP-UHFFFAOYSA-N 2 0 335.540 3.109 10 0 EGAERP CC1=CC[N@H+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000579941062 325179626 /nfs/dbraw/zinc/17/96/26/325179626.db2.gz CWEQVXPLWHACFN-KOUNCHBCSA-N 2 0 339.527 3.424 10 0 EGAERP Fc1ccccc1-c1ncc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)s1 ZINC000581469300 325363722 /nfs/dbraw/zinc/36/37/22/325363722.db2.gz DFOYVEURCFUKTC-LLVKDONJSA-N 2 0 328.416 3.319 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000183212176 455252669 /nfs/dbraw/zinc/25/26/69/455252669.db2.gz SSKIZCFWTPNBQB-JSJNYSNDSA-N 2 0 332.488 3.001 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC000623440108 460551916 /nfs/dbraw/zinc/55/19/16/460551916.db2.gz JGNLZENMUXYBBK-OAHLLOKOSA-N 2 0 335.458 3.113 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2cccc(Br)c2)CC1(C)C ZINC000623487770 460575860 /nfs/dbraw/zinc/57/58/60/460575860.db2.gz SAHLMTKDNQDZHI-HNNXBMFYSA-N 2 0 340.309 3.323 10 0 EGAERP CCOc1cc(C[NH2+]C(C)(C)CCC[NH+](C)C)c(F)cc1OC ZINC000623540441 460602804 /nfs/dbraw/zinc/60/28/04/460602804.db2.gz ZEKYWPYEXQYOME-UHFFFAOYSA-N 2 0 326.456 3.443 10 0 EGAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000047976576 454427265 /nfs/dbraw/zinc/42/72/65/454427265.db2.gz XQPDCBSWNMJPEZ-UHFFFAOYSA-N 2 0 345.531 3.089 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cnc3nc(C)cc(C)n23)CC1 ZINC000134162385 454510080 /nfs/dbraw/zinc/51/00/80/454510080.db2.gz SMCUEXPSPKLRKD-UHFFFAOYSA-N 2 0 343.519 3.290 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc(-n3cncn3)cc2)CC1 ZINC000134169841 454512003 /nfs/dbraw/zinc/51/20/03/454512003.db2.gz SCSDBZZSCFQEGR-UHFFFAOYSA-N 2 0 341.503 3.211 10 0 EGAERP CN1CCC([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000623642234 460656039 /nfs/dbraw/zinc/65/60/39/460656039.db2.gz PXHPUUPZKLKXHG-OAQYLSRUSA-N 2 0 349.478 3.068 10 0 EGAERP CC(C)[C@@H](c1ccccc1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112699138 454896455 /nfs/dbraw/zinc/89/64/55/454896455.db2.gz HYTJKSSXWWLFCF-NRFANRHFSA-N 2 0 343.515 3.059 10 0 EGAERP C[NH+]1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180136749 455137610 /nfs/dbraw/zinc/13/76/10/455137610.db2.gz XUQXJWSEOBNNJL-SEJPIABJSA-N 3 0 327.516 3.113 10 0 EGAERP O[C@H]1CCCC[C@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147127 455140167 /nfs/dbraw/zinc/14/01/67/455140167.db2.gz OFEVWWDJVWDOJD-QNXAMLQOSA-N 2 0 328.500 3.323 10 0 EGAERP C[C@@H](CCc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000183056736 455218814 /nfs/dbraw/zinc/21/88/14/455218814.db2.gz DSKCIOGCVBDKNT-KRWDZBQOSA-N 2 0 334.479 3.191 10 0 EGAERP CO[C@H](C)c1noc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)n1 ZINC000183689317 455321397 /nfs/dbraw/zinc/32/13/97/455321397.db2.gz LZAHNYDZOVCIBY-QWHCGFSZSA-N 2 0 341.415 3.122 10 0 EGAERP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122987 455562528 /nfs/dbraw/zinc/56/25/28/455562528.db2.gz AMNIKKSRUVHDSA-VZHSDHNVSA-N 2 0 327.516 3.254 10 0 EGAERP CCOc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000247348569 455590414 /nfs/dbraw/zinc/59/04/14/455590414.db2.gz XZNLFZIISKWGNB-QFBILLFUSA-N 2 0 347.503 3.076 10 0 EGAERP C[C@H](c1c(F)cccc1F)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247374182 455593211 /nfs/dbraw/zinc/59/32/11/455593211.db2.gz VAVINKLRMGCANR-UONOGXRCSA-N 2 0 326.431 3.050 10 0 EGAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192476911 455627729 /nfs/dbraw/zinc/62/77/29/455627729.db2.gz PEWHBMMIVAMKBX-OAHLLOKOSA-N 2 0 347.528 3.202 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1ccsc1 ZINC000268989288 455755396 /nfs/dbraw/zinc/75/53/96/455755396.db2.gz GOKYCUSPAKTDIN-MNEFBYGVSA-N 2 0 330.497 3.282 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000617005839 460701643 /nfs/dbraw/zinc/70/16/43/460701643.db2.gz PEJJGRBHQJXQGS-IBGZPJMESA-N 2 0 343.515 3.275 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+]4CCCC[C@H]24)C3)cc1 ZINC000272414968 455942628 /nfs/dbraw/zinc/94/26/28/455942628.db2.gz MCABBBMJZDQMHT-LILSUDLASA-N 2 0 339.527 3.398 10 0 EGAERP COc1ccc(CN(C)C2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC(F)F ZINC000261869349 455961768 /nfs/dbraw/zinc/96/17/68/455961768.db2.gz LDCNKRYEWAQKKT-PBWFPOADSA-N 2 0 326.387 3.011 10 0 EGAERP CCOc1cc(CN(C)C[C@]2(C)CC[NH2+]C2)ccc1OC(F)F ZINC000261909214 455969056 /nfs/dbraw/zinc/96/90/56/455969056.db2.gz XVSDNSRSNHBALS-QGZVFWFLSA-N 2 0 328.403 3.118 10 0 EGAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000261928688 455972826 /nfs/dbraw/zinc/97/28/26/455972826.db2.gz SMDVVDSGAQIGPF-UHOSZYNNSA-N 2 0 329.488 3.388 10 0 EGAERP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)F ZINC000296642501 455998327 /nfs/dbraw/zinc/99/83/27/455998327.db2.gz YFCMSGINXARZOC-ADHGMGHFSA-N 2 0 338.442 3.176 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035810 456082301 /nfs/dbraw/zinc/08/23/01/456082301.db2.gz VBBFPGAOEGGURI-GLQYFDAESA-N 2 0 341.377 3.023 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000263293707 456120297 /nfs/dbraw/zinc/12/02/97/456120297.db2.gz XFQGHHPBVRKAOE-CXQPBAHBSA-N 2 0 347.547 3.020 10 0 EGAERP c1[nH+]cn2cc(CNC3CC[NH+](CCc4ccccc4)CC3)ccc12 ZINC000297560115 456252178 /nfs/dbraw/zinc/25/21/78/456252178.db2.gz QJAMWWWEXHWYKJ-UHFFFAOYSA-N 2 0 334.467 3.131 10 0 EGAERP CN1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1ccccc1 ZINC000297657183 456271708 /nfs/dbraw/zinc/27/17/08/456271708.db2.gz NRHPUDRIWZBWPC-NHCUHLMSSA-N 2 0 336.483 3.085 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000302502686 456350370 /nfs/dbraw/zinc/35/03/70/456350370.db2.gz PHNQMHYCBYEJHL-MRXNPFEDSA-N 2 0 327.472 3.133 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)nc1 ZINC000281971437 456378166 /nfs/dbraw/zinc/37/81/66/456378166.db2.gz GXPAGMPOBSTUQB-OAHLLOKOSA-N 2 0 326.444 3.003 10 0 EGAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071394 456472257 /nfs/dbraw/zinc/47/22/57/456472257.db2.gz FDOCNLSOLXXIMN-IEBWSBKVSA-N 2 0 345.531 3.497 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000353078841 456475140 /nfs/dbraw/zinc/47/51/40/456475140.db2.gz QRFUOHNFRUGLNW-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP COc1cccc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098439 456478922 /nfs/dbraw/zinc/47/89/22/456478922.db2.gz SLVQCIKCALWVJH-HKUYNNGSSA-N 2 0 339.483 3.133 10 0 EGAERP Cc1ccc(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C[NH+](C)C)c1 ZINC000291416700 456638752 /nfs/dbraw/zinc/63/87/52/456638752.db2.gz XOAYXVGGDJMUBC-LJQANCHMSA-N 2 0 335.467 3.208 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@@H]2CCC[C@H]21 ZINC000353406449 456680112 /nfs/dbraw/zinc/68/01/12/456680112.db2.gz UJNPJNVHHUYSMW-GBESFXJTSA-N 2 0 339.483 3.466 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000341068200 456814474 /nfs/dbraw/zinc/81/44/74/456814474.db2.gz YUEFINMVKXRLEV-QZTJIDSGSA-N 2 0 343.515 3.275 10 0 EGAERP c1ccc2c(c1)[nH+]ccc2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000339054824 456919058 /nfs/dbraw/zinc/91/90/58/456919058.db2.gz VZACERJZORLZCH-KRWDZBQOSA-N 2 0 325.456 3.316 10 0 EGAERP CCO[C@@H]1C[C@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000346164243 457021845 /nfs/dbraw/zinc/02/18/45/457021845.db2.gz HKFYKAHHAPNDMG-RBUKOAKNSA-N 2 0 340.471 3.355 10 0 EGAERP Cn1cc2c(n1)CCC[C@H]2[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000358986936 457044418 /nfs/dbraw/zinc/04/44/18/457044418.db2.gz ONYSQKIFSYMEFQ-CTNGQTDRSA-N 2 0 338.499 3.442 10 0 EGAERP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000342164869 457145042 /nfs/dbraw/zinc/14/50/42/457145042.db2.gz NFESMQRWUOTXQA-GXDHUFHOSA-N 2 0 342.405 3.155 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)[C@@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000354585172 457289748 /nfs/dbraw/zinc/28/97/48/457289748.db2.gz XKEVBIJKOSQMBO-HXUWFJFHSA-N 2 0 345.531 3.308 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351849359 457320021 /nfs/dbraw/zinc/32/00/21/457320021.db2.gz PNIPVHLJHPJBIK-RDGPPVDQSA-N 2 0 335.536 3.115 10 0 EGAERP CC(C)n1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000385757141 457429197 /nfs/dbraw/zinc/42/91/97/457429197.db2.gz SVOGBXQPMHUOTB-HMXCVIKNSA-N 2 0 338.499 3.464 10 0 EGAERP OCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cc1 ZINC000386208575 457429634 /nfs/dbraw/zinc/42/96/34/457429634.db2.gz MKXPCXVCBPBKPZ-BHDDXSALSA-N 2 0 336.479 3.179 10 0 EGAERP CCCCCCNC(=[NH2+])NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000369878922 457441593 /nfs/dbraw/zinc/44/15/93/457441593.db2.gz VTHGWMFILJIMEQ-UHFFFAOYSA-N 2 0 348.457 3.486 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000397625317 457489590 /nfs/dbraw/zinc/48/95/90/457489590.db2.gz XSNTZMOWQMFNIZ-RUYXUALKSA-N 2 0 330.516 3.428 10 0 EGAERP OC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000403697138 457534914 /nfs/dbraw/zinc/53/49/14/457534914.db2.gz SOZCQPKATVNJJQ-HSALFYBXSA-N 2 0 328.500 3.039 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412697 457539749 /nfs/dbraw/zinc/53/97/49/457539749.db2.gz BYUDJSWJBAQNBH-PKOBYXMFSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511679 457763149 /nfs/dbraw/zinc/76/31/49/457763149.db2.gz URYNUQVEOGYRBN-KURKYZTESA-N 2 0 335.536 3.020 10 0 EGAERP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000366331312 457807351 /nfs/dbraw/zinc/80/73/51/457807351.db2.gz GJDVDEDJJHTWDB-RLLQIKCJSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@H]21 ZINC000375794879 458069025 /nfs/dbraw/zinc/06/90/25/458069025.db2.gz WELHMYDXUBYXJX-CEXWTWQISA-N 2 0 328.504 3.034 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000358555413 458073748 /nfs/dbraw/zinc/07/37/48/458073748.db2.gz AEOZPMFTVMAZMT-PWRODBHTSA-N 2 0 342.527 3.429 10 0 EGAERP FC(F)(F)CCN1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000376028667 458168775 /nfs/dbraw/zinc/16/87/75/458168775.db2.gz KPTYKSIUCICJRD-UHFFFAOYSA-N 2 0 333.442 3.010 10 0 EGAERP C[NH+](C)Cc1cc(CNC(=O)C2(C[NH+](C)C)CCCCC2)ccc1F ZINC000358723815 458172031 /nfs/dbraw/zinc/17/20/31/458172031.db2.gz MYMLVHUFFDEIHP-UHFFFAOYSA-N 2 0 349.494 3.016 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000423499368 458443825 /nfs/dbraw/zinc/44/38/25/458443825.db2.gz ARUPVWRZFWKILG-PPNDLDFTSA-N 2 0 341.543 3.432 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)[C@H](C)C2 ZINC000423507616 458446139 /nfs/dbraw/zinc/44/61/39/458446139.db2.gz JTGXOBCBPGWJSV-RLFWHWAOSA-N 2 0 327.516 3.034 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423521676 458449642 /nfs/dbraw/zinc/44/96/42/458449642.db2.gz GLCKDLHMCKNUSZ-QVVGYRBSSA-N 2 0 341.499 3.147 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465512 458500567 /nfs/dbraw/zinc/50/05/67/458500567.db2.gz LJIIKHYRKCUUSO-FNOBOGDDSA-N 2 0 327.516 3.428 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373492259 458509148 /nfs/dbraw/zinc/50/91/48/458509148.db2.gz COEOTHBRFUDSHR-RWBZWWBESA-N 2 0 333.451 3.149 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000431563457 458588697 /nfs/dbraw/zinc/58/86/97/458588697.db2.gz CDIPQVKEMMOOIX-QZTJIDSGSA-N 2 0 347.503 3.187 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424359124 458624887 /nfs/dbraw/zinc/62/48/87/458624887.db2.gz XZXRWRWNJYNZPE-WRTQPQOASA-N 2 0 328.500 3.302 10 0 EGAERP C[C@H]1C[C@H](C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[NH2+]1 ZINC000530244119 458729174 /nfs/dbraw/zinc/72/91/74/458729174.db2.gz XABIZAVSVCZJCC-DOTOQJQBSA-N 2 0 346.519 3.370 10 0 EGAERP COc1ccc([C@@H](C)[C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000474938855 458908397 /nfs/dbraw/zinc/90/83/97/458908397.db2.gz AEOJPFJTPUUOTP-IRXDYDNUSA-N 2 0 332.488 3.437 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000520174615 459035196 /nfs/dbraw/zinc/03/51/96/459035196.db2.gz RBQBJVPKRMXXGN-HXUWFJFHSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@H]([NH+](C)C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123145 459074344 /nfs/dbraw/zinc/07/43/44/459074344.db2.gz NTMXRFYHIMMZEL-HZMVEIRTSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000443228012 459100683 /nfs/dbraw/zinc/10/06/83/459100683.db2.gz YFMZXTVLZPMEEU-BETUJISGSA-N 2 0 332.423 3.310 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000595007374 459213244 /nfs/dbraw/zinc/21/32/44/459213244.db2.gz IFFLENLAPVCLBO-AWEZNQCLSA-N 2 0 338.467 3.345 10 0 EGAERP CC1CCC(O)(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481210049 459239009 /nfs/dbraw/zinc/23/90/09/459239009.db2.gz ZIBUGLCZOCDBIR-JLMIFGBASA-N 2 0 330.516 3.428 10 0 EGAERP COc1ccc(CN(C)C[C@H]2CC[N@H+](Cc3ccc(C)s3)C2)nc1 ZINC000582423515 459362399 /nfs/dbraw/zinc/36/23/99/459362399.db2.gz BBHXNGYQPJLEBD-MRXNPFEDSA-N 2 0 345.512 3.414 10 0 EGAERP CN(CC[N@H+](C)[C@H]1CC[C@](C)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000561395442 459449465 /nfs/dbraw/zinc/44/94/65/459449465.db2.gz FLWJIYZSWXJGTE-VXKWHMMOSA-N 2 0 343.559 3.455 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1ccccc1)[C@@H]1CCOC1 ZINC000541380018 459451110 /nfs/dbraw/zinc/45/11/10/459451110.db2.gz FCFBPFRJPOHYNX-NQIIRXRSSA-N 2 0 348.450 3.443 10 0 EGAERP O=C1Nc2ccccc2C12CCC([NH2+]Cc1ccc3c[nH+]cn3c1)CC2 ZINC000583071752 459477474 /nfs/dbraw/zinc/47/74/74/459477474.db2.gz VBPWTHAHXKOCNQ-UHFFFAOYSA-N 2 0 346.434 3.257 10 0 EGAERP CCCc1cccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000561981025 459498854 /nfs/dbraw/zinc/49/88/54/459498854.db2.gz SUDZIDQVMVQTGY-CBQGHPETSA-N 2 0 341.543 3.382 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527630207 459677172 /nfs/dbraw/zinc/67/71/72/459677172.db2.gz ZJXYJUPKWVJIHS-UBDQQSCGSA-N 2 0 333.545 3.061 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)cc(C(F)(F)F)c1 ZINC000527708644 459709550 /nfs/dbraw/zinc/70/95/50/459709550.db2.gz DAQPQTBLUNMUKK-GFCCVEGCSA-N 2 0 325.334 3.084 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@@H](C)CN(C)C(C)C)CC3 ZINC000584868547 459816063 /nfs/dbraw/zinc/81/60/63/459816063.db2.gz DPMJXEKWYNXXQZ-LSDHHAIUSA-N 2 0 329.488 3.352 10 0 EGAERP COCC1([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000574837982 459880265 /nfs/dbraw/zinc/88/02/65/459880265.db2.gz XOBHJAUZWNMPRU-UHFFFAOYSA-N 2 0 340.552 3.451 10 0 EGAERP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599070618 460150589 /nfs/dbraw/zinc/15/05/89/460150589.db2.gz MAWFCQVDZOBRJQ-SJORKVTESA-N 2 0 326.525 3.456 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCCn1ccnc1 ZINC000576682394 460192213 /nfs/dbraw/zinc/19/22/13/460192213.db2.gz LOHQRQLOIKHSSJ-QUCCMNQESA-N 3 0 326.488 3.164 10 0 EGAERP COC(=O)[C@@H]1C[C@@H](C)[N@@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H](C)C1 ZINC000599699176 460315737 /nfs/dbraw/zinc/31/57/37/460315737.db2.gz XFCIKLYUUUJWRW-SCAQPMJSSA-N 2 0 327.428 3.034 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH+]2CC(Cc3cccs3)C2)cc1 ZINC000628478938 460432672 /nfs/dbraw/zinc/43/26/72/460432672.db2.gz VCMUWZILBMTPQC-UHFFFAOYSA-N 2 0 330.497 3.363 10 0 EGAERP Fc1cccc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c1OCC(F)(F)F ZINC000623356217 460506617 /nfs/dbraw/zinc/50/66/17/460506617.db2.gz DERRRJSMWLBFML-GFCCVEGCSA-N 2 0 346.368 3.341 10 0 EGAERP C[C@@H](C[NH+]1CCCCC1)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000623852994 460742961 /nfs/dbraw/zinc/74/29/61/460742961.db2.gz JLMNOSRLAZNBGD-INIZCTEOSA-N 2 0 337.471 3.283 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000629528210 460796614 /nfs/dbraw/zinc/79/66/14/460796614.db2.gz SQTRTGLYWHXIME-FDKIHUSFSA-N 2 0 327.516 3.160 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629536941 460798524 /nfs/dbraw/zinc/79/85/24/460798524.db2.gz HYMCXVXQMSXORE-OAHLLOKOSA-N 2 0 331.485 3.143 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000629540023 460801011 /nfs/dbraw/zinc/80/10/11/460801011.db2.gz RWRNXINLHWONSL-HOTGVXAUSA-N 2 0 330.394 3.297 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)Cc1ncc(C(F)(F)F)cc1Cl)C[NH+](C)C ZINC000623987847 460811816 /nfs/dbraw/zinc/81/18/16/460811816.db2.gz QDMPRJYZLSHTKB-MNOVXSKESA-N 2 0 337.817 3.472 10 0 EGAERP C[C@@H](NC[C@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123183 460873012 /nfs/dbraw/zinc/87/30/12/460873012.db2.gz HJHXRFBMWYSSGH-IAGOWNOFSA-N 2 0 326.488 3.470 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@@H]1CC[N@H+](C)C1 ZINC000617556817 460906904 /nfs/dbraw/zinc/90/69/04/460906904.db2.gz YJFIHBUKDCBERJ-LJQANCHMSA-N 2 0 331.504 3.083 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](CCCCc1cccc(Cl)c1)CCO2 ZINC000621312528 460984509 /nfs/dbraw/zinc/98/45/09/460984509.db2.gz YKBOGLILMMKYKA-UHFFFAOYSA-N 2 0 336.907 3.459 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621333917 460993042 /nfs/dbraw/zinc/99/30/42/460993042.db2.gz WVCWMFKMOVFDTG-UHFFFAOYSA-N 2 0 340.515 3.337 10 0 EGAERP CCN(C(=O)c1ccc(C[NH3+])o1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000646239715 461143778 /nfs/dbraw/zinc/14/37/78/461143778.db2.gz KKELGEQTHKQHAZ-WBVHZDCISA-N 2 0 341.455 3.036 10 0 EGAERP FC(F)(F)c1ccccc1C[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250427 461144543 /nfs/dbraw/zinc/14/45/43/461144543.db2.gz HSBOUKKNCLTLCM-OAHLLOKOSA-N 2 0 340.389 3.191 10 0 EGAERP CN(Cc1ccccc1)[C@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263873 461150543 /nfs/dbraw/zinc/15/05/43/461150543.db2.gz PCRDSLTWJJQCIJ-NRFANRHFSA-N 2 0 335.495 3.039 10 0 EGAERP COCC1([NH2+]C/C=C/C[NH2+]C2(COC)CCCCC2)CCCCC1 ZINC000662341749 461200747 /nfs/dbraw/zinc/20/07/47/461200747.db2.gz UWRRLSSWMZNNTR-MDZDMXLPSA-N 2 0 338.536 3.420 10 0 EGAERP c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122050 461256697 /nfs/dbraw/zinc/25/66/97/461256697.db2.gz KJAFNZBQZOUCJE-PMACEKPBSA-N 2 0 327.516 3.321 10 0 EGAERP CC(C)(C)[C@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000668439890 461282613 /nfs/dbraw/zinc/28/26/13/461282613.db2.gz GEBBEZXYUKKIHB-SJLPKXTDSA-N 2 0 340.577 3.387 10 0 EGAERP Cn1nc2c(c1C[NH2+]Cc1ccc(C[NH+]3CCCC3)cc1)CCCC2 ZINC000631035142 461487861 /nfs/dbraw/zinc/48/78/61/461487861.db2.gz BSHSGLMOXBJVRG-UHFFFAOYSA-N 2 0 338.499 3.185 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)C1 ZINC000653108161 461504727 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[NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C1 ZINC000656193823 461641474 /nfs/dbraw/zinc/64/14/74/461641474.db2.gz UXQIQMANISOJJL-DYEKYZERSA-N 2 0 325.250 3.132 10 0 EGAERP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)s2)cn1 ZINC000647479784 461724023 /nfs/dbraw/zinc/72/40/23/461724023.db2.gz UMILQKBOJXTDQW-RHSMWYFYSA-N 2 0 330.501 3.113 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCOCC2)cc1 ZINC000656402095 461734068 /nfs/dbraw/zinc/73/40/68/461734068.db2.gz LRVNCTPWVLLUTL-LRSLUSHPSA-N 2 0 340.511 3.255 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@@H]2CCCO2)cc1 ZINC000656407650 461736393 /nfs/dbraw/zinc/73/63/93/461736393.db2.gz TWRQXJPEUZBEQT-ITBHCLRTSA-N 2 0 340.511 3.398 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2ccncc2)cc1 ZINC000656405665 461736549 /nfs/dbraw/zinc/73/65/49/461736549.db2.gz QIZBXQDRJXEAGM-AFXVXQJMSA-N 2 0 347.506 3.467 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)co2)cc1 ZINC000647791821 461836675 /nfs/dbraw/zinc/83/66/75/461836675.db2.gz NOPOJSVZLZLKIM-ZMSDIMECSA-N 2 0 329.419 3.001 10 0 EGAERP Cc1nocc1CN1CCCC2(CCC[N@H+](Cc3conc3C)C2)C1 ZINC000660566765 461858113 /nfs/dbraw/zinc/85/81/13/461858113.db2.gz RKWXCTHTOVDTGO-UHFFFAOYSA-N 2 0 344.459 3.158 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C)nn(-c2ccccc2)c1C ZINC000650718864 461911150 /nfs/dbraw/zinc/91/11/50/461911150.db2.gz YRAQHPSULTXEKC-UHFFFAOYSA-N 2 0 334.467 3.498 10 0 EGAERP CCOc1c(OC)cc(C[NH2+]Cc2ccccc2C[NH2+]C)cc1OC ZINC000650718829 461911914 /nfs/dbraw/zinc/91/19/14/461911914.db2.gz XJFYHVABEGEQLY-UHFFFAOYSA-N 2 0 344.455 3.112 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C)cc1-c1cnn(C)c1 ZINC000650720307 461913339 /nfs/dbraw/zinc/91/33/39/461913339.db2.gz LDGUNMMDHZDELZ-UHFFFAOYSA-N 2 0 334.467 3.405 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000650745902 461930749 /nfs/dbraw/zinc/93/07/49/461930749.db2.gz QOINVNMAIZPBJB-ZDUSSCGKSA-N 2 0 327.241 3.294 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCCOc2ccc(OC)cc21 ZINC000650758606 461939436 /nfs/dbraw/zinc/93/94/36/461939436.db2.gz TUSIGBOITUQKEN-LJQANCHMSA-N 2 0 326.440 3.418 10 0 EGAERP CC(C)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Nc1ccccc1 ZINC000657353109 462065133 /nfs/dbraw/zinc/06/51/33/462065133.db2.gz FCXMEUAPTURJPT-FQEVSTJZSA-N 2 0 335.455 3.494 10 0 EGAERP c1cc(C[NH2+]C[C@H]2CCC3(CCCCC3)O2)n(-c2cc[nH+]cc2)n1 ZINC000657449144 462131922 /nfs/dbraw/zinc/13/19/22/462131922.db2.gz ZRKQLUULNCOXFL-GOSISDBHSA-N 2 0 326.444 3.239 10 0 EGAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648476346 462137773 /nfs/dbraw/zinc/13/77/73/462137773.db2.gz YBIWWXNDYFELCQ-BHIFYINESA-N 2 0 342.527 3.292 10 0 EGAERP c1nc(C2CC2)sc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535845 462170338 /nfs/dbraw/zinc/17/03/38/462170338.db2.gz SGNVMLGXDGDRJL-UHFFFAOYSA-N 2 0 335.517 3.001 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C/C=C\c3ccc(F)cc3)cc2)C1 ZINC000657595408 462197312 /nfs/dbraw/zinc/19/73/12/462197312.db2.gz ICXOSTMXHUAPDS-XASPDOEXSA-N 2 0 340.442 3.195 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)C1 ZINC000657595588 462197794 /nfs/dbraw/zinc/19/77/94/462197794.db2.gz IVGRQRQLADSPSY-NRFANRHFSA-N 2 0 336.479 3.032 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068105 462366700 /nfs/dbraw/zinc/36/67/00/462366700.db2.gz UGUQAWWKWZREGO-IIBYNOLFSA-N 2 0 328.500 3.401 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277126 462380481 /nfs/dbraw/zinc/38/04/81/462380481.db2.gz ULOCQENUNLAAAJ-ICSRJNTNSA-N 3 0 329.532 3.396 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000658097545 462383997 /nfs/dbraw/zinc/38/39/97/462383997.db2.gz UOAIFPBPSAOARD-AHRSYUTCSA-N 2 0 338.536 3.061 10 0 EGAERP CCC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000665285104 462384384 /nfs/dbraw/zinc/38/43/84/462384384.db2.gz CNVUZZYCBLEMAV-LJQANCHMSA-N 2 0 331.504 3.108 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)oc1C ZINC000658137178 462400005 /nfs/dbraw/zinc/40/00/05/462400005.db2.gz JMNOWEFPWBPLQD-BEFAXECRSA-N 2 0 328.456 3.314 10 0 EGAERP FC1(F)C[C@]12CC[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000652062275 462422517 /nfs/dbraw/zinc/42/25/17/462422517.db2.gz DXAPNYIRMYDMSZ-SFHVURJKSA-N 2 0 336.426 3.392 10 0 EGAERP O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@@H]1CCc1ccccc1 ZINC000646073781 462509859 /nfs/dbraw/zinc/50/98/59/462509859.db2.gz IZENLCBFFFUVAW-RTWAWAEBSA-N 2 0 330.516 3.321 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000155235645 528774075 /nfs/dbraw/zinc/77/40/75/528774075.db2.gz FIFCCYJGAJJQMM-IRXDYDNUSA-N 2 0 331.504 3.082 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1(C(=O)OC)CCC1 ZINC000353338780 535916573 /nfs/dbraw/zinc/91/65/73/535916573.db2.gz URFSVNVWTYCWOU-IBGZPJMESA-N 2 0 344.499 3.494 10 0 EGAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000317097993 547466443 /nfs/dbraw/zinc/46/64/43/547466443.db2.gz JVDQPNISVZIKOY-CYBMUJFWSA-N 2 0 327.875 3.156 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000390209020 547826100 /nfs/dbraw/zinc/82/61/00/547826100.db2.gz DCMMWTMZBQIECU-GOSISDBHSA-N 2 0 335.923 3.407 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCOC(C)(C)C)CC1 ZINC000678284135 549459205 /nfs/dbraw/zinc/45/92/05/549459205.db2.gz PJBGZECQOACLBY-UHFFFAOYSA-N 2 0 347.547 3.466 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000678333916 549470926 /nfs/dbraw/zinc/47/09/26/549470926.db2.gz JDXIWCWRFSJQAY-FPOVZHCZSA-N 2 0 344.499 3.162 10 0 EGAERP CO[C@@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684391629 550323621 /nfs/dbraw/zinc/32/36/21/550323621.db2.gz CPTWVOMITMWLCP-TZIWHRDSSA-N 2 0 346.515 3.251 10 0 EGAERP C[C@@H]([NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1)C1CC[NH+](C)CC1 ZINC000684557706 550342841 /nfs/dbraw/zinc/34/28/41/550342841.db2.gz CMEUZRPKIBMWJN-NVPAJSRCSA-N 2 0 347.469 3.112 10 0 EGAERP Cc1cc([C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)ccc1F ZINC000678687443 576169305 /nfs/dbraw/zinc/16/93/05/576169305.db2.gz YSQWNENQJADZFO-WIYYLYMNSA-N 2 0 345.506 3.343 10 0 EGAERP CCOc1c(Cl)cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000075780831 1292410724 /nfs/dbraw/zinc/41/07/24/1292410724.db2.gz FKCCHKUXMMFKNV-CYBMUJFWSA-N 2 0 338.879 3.321 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+]Cc2cccc(OC3CCCC3)c2)CC1 ZINC000077506861 1292468498 /nfs/dbraw/zinc/46/84/98/1292468498.db2.gz BZSYIUIMPYHICG-UHFFFAOYSA-N 2 0 345.531 3.124 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)N1CC[NH+](C)CC1 ZINC000105466308 1293039319 /nfs/dbraw/zinc/03/93/19/1293039319.db2.gz FLUUHSAMRVRUJR-OAHLLOKOSA-N 2 0 347.503 3.280 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cnc(-c2ccc(C)o2)s1 ZINC000129204764 1293617340 /nfs/dbraw/zinc/61/73/40/1293617340.db2.gz GGTKKGQHWGUZSO-CQSZACIVSA-N 2 0 337.489 3.158 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000155852761 1294115604 /nfs/dbraw/zinc/11/56/04/1294115604.db2.gz HIHDFYZINCEIDR-INIZCTEOSA-N 2 0 329.488 3.104 10 0 EGAERP COC[C@@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1scnc1C)CC2 ZINC000169782605 1294372449 /nfs/dbraw/zinc/37/24/49/1294372449.db2.gz HGWFITHSUXEYKO-INIZCTEOSA-N 2 0 349.544 3.164 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@@H]1CCCOC1 ZINC000872030759 1296680266 /nfs/dbraw/zinc/68/02/66/1296680266.db2.gz CAHUBCCHJUSONH-QUCCMNQESA-N 2 0 334.504 3.312 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000872110399 1296736949 /nfs/dbraw/zinc/73/69/49/1296736949.db2.gz YQOLSPCUTXFJLD-LWCVALJOSA-N 2 0 332.488 3.235 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCC[C@H]2CCOC2=O)CC1 ZINC000872113663 1296739491 /nfs/dbraw/zinc/73/94/91/1296739491.db2.gz QFFMCMWCGNRSJC-HDYDNRTBSA-N 2 0 344.499 3.363 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC(C)C)CCC2)[C@H](C)C1 ZINC000872117573 1296743905 /nfs/dbraw/zinc/74/39/05/1296743905.db2.gz SOUSRGGDIRTYHF-MSOLQXFVSA-N 2 0 326.525 3.061 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CCCCCC[NH3+])c1ccc2ccccc2c1 ZINC000872154768 1296771654 /nfs/dbraw/zinc/77/16/54/1296771654.db2.gz AFJDOJRZFYAOCS-KRWDZBQOSA-N 2 0 341.499 3.468 10 0 EGAERP C[N@H+](CCCCCC[NH3+])Cc1cc(=O)oc2cc3c(cc12)CCC3 ZINC000872155060 1296773339 /nfs/dbraw/zinc/77/33/39/1296773339.db2.gz BCWCVBARMFDFSA-UHFFFAOYSA-N 2 0 328.456 3.233 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000310054856 1297086175 /nfs/dbraw/zinc/08/61/75/1297086175.db2.gz ZLKIDBOUBXCMGI-MRXNPFEDSA-N 2 0 339.524 3.098 10 0 EGAERP c1ccc(C[NH+]2CCC3(CCN(C[C@H]4CCCC[NH2+]4)C3)CC2)cc1 ZINC000383729699 1297573888 /nfs/dbraw/zinc/57/38/88/1297573888.db2.gz WMRJAFBMMVAXNK-HXUWFJFHSA-N 2 0 327.516 3.117 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000709324744 1298247448 /nfs/dbraw/zinc/24/74/48/1298247448.db2.gz KHYJOADXIOLZJX-NVXWUHKLSA-N 2 0 339.524 3.096 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711486402 1298262772 /nfs/dbraw/zinc/26/27/72/1298262772.db2.gz VWIIISGMUCCZBY-YESZJQIVSA-N 2 0 341.540 3.390 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CCc2cccc(Br)c2)CC1 ZINC000715222902 1298280100 /nfs/dbraw/zinc/28/01/00/1298280100.db2.gz ZKLHRGPRJQRLLE-UHFFFAOYSA-N 2 0 325.294 3.454 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H](CC)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000716154621 1298294130 /nfs/dbraw/zinc/29/41/30/1298294130.db2.gz HBPJITQTXMJUEH-QGZVFWFLSA-N 2 0 339.524 3.096 10 0 EGAERP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2C[C@]24CCOC4)CC3)cc1 ZINC000886099170 1303354502 /nfs/dbraw/zinc/35/45/02/1303354502.db2.gz WHMHDYIJGSOOGQ-UNMCSNQZSA-N 2 0 340.511 3.401 10 0 EGAERP OCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886593917 1303516095 /nfs/dbraw/zinc/51/60/95/1303516095.db2.gz BQJLTJKZBDRGCP-UQVNRYHBSA-N 2 0 328.500 3.180 10 0 EGAERP COc1cc(C)cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1OC ZINC000893939731 1306137991 /nfs/dbraw/zinc/13/79/91/1306137991.db2.gz GLVZHTSBTOZFIF-UHFFFAOYSA-N 2 0 332.488 3.320 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000894177086 1306263020 /nfs/dbraw/zinc/26/30/20/1306263020.db2.gz ZBIRVLFEYZVEAL-INIZCTEOSA-N 2 0 338.499 3.494 10 0 EGAERP Clc1nccc2cc(C[NH2+]CCCC[NH+]3CCOCC3)sc21 ZINC000894182624 1306265100 /nfs/dbraw/zinc/26/51/00/1306265100.db2.gz CMKLUAMIWLAZNE-UHFFFAOYSA-N 2 0 339.892 3.152 10 0 EGAERP C[N@@H+](Cc1ccccc1)C[C@@H](CN1CC[NH+](C)CC1)c1ccccc1 ZINC000929233127 1328544120 /nfs/dbraw/zinc/54/41/20/1328544120.db2.gz DOMHEMXDDPPQTA-QFIPXVFZSA-N 2 0 337.511 3.150 10 0 EGAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CC[C@@H](C(F)(F)F)O2)cc1 ZINC000930117720 1328790079 /nfs/dbraw/zinc/79/00/79/1328790079.db2.gz WHUACIFZNTWRMO-CVEARBPZSA-N 2 0 330.394 3.290 10 0 EGAERP FCCn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000921505367 1322332538 /nfs/dbraw/zinc/33/25/38/1322332538.db2.gz LTQZGMUARBLHCE-UHFFFAOYSA-N 2 0 330.451 3.128 10 0 EGAERP Brc1c[nH]c(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000921823036 1322405480 /nfs/dbraw/zinc/40/54/80/1322405480.db2.gz NYULPPMZNLRFOU-UHFFFAOYSA-N 2 0 341.297 3.059 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]CC2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000922424701 1322527252 /nfs/dbraw/zinc/52/72/52/1322527252.db2.gz RMDFOZOPCXONNL-JLYLLQBASA-N 2 0 334.529 3.391 10 0 EGAERP CCCC[N@H+](C[C@@H](OC)[C@@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034350 1329034033 /nfs/dbraw/zinc/03/40/33/1329034033.db2.gz ROYAKBUCUNDAAF-SJLPKXTDSA-N 2 0 340.552 3.449 10 0 EGAERP CC[C@H]1C[C@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743235 1322607627 /nfs/dbraw/zinc/60/76/27/1322607627.db2.gz OZDCRVRZNKWJGS-UXHICEINSA-N 2 0 346.515 3.215 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000922845724 1322631461 /nfs/dbraw/zinc/63/14/61/1322631461.db2.gz SDTTWZMYXXUIMR-UHFFFAOYSA-N 2 0 338.293 3.341 10 0 EGAERP C[C@@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923286914 1322725974 /nfs/dbraw/zinc/72/59/74/1322725974.db2.gz BNKVDEMZOCOMJU-JJAZEVLHSA-N 2 0 342.405 3.228 10 0 EGAERP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923305224 1322729475 /nfs/dbraw/zinc/72/94/75/1322729475.db2.gz VTGPJCFISTZKPU-DOMZBBRYSA-N 2 0 328.378 3.077 10 0 EGAERP c1nc2ccccc2n1C[C@H]1CCC[N@H+]1CCC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923372607 1322741975 /nfs/dbraw/zinc/74/19/75/1322741975.db2.gz HSWRZZVVISVIFB-XVLXNVKGSA-N 2 0 338.499 3.421 10 0 EGAERP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923380005 1322743147 /nfs/dbraw/zinc/74/31/47/1322743147.db2.gz UFJRLLRLOCRHOZ-XLIONFOSSA-N 2 0 340.442 3.078 10 0 EGAERP [NH3+][C@H](C[C@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2)C1)C1CCCC1 ZINC000923427138 1322750850 /nfs/dbraw/zinc/75/08/50/1322750850.db2.gz SCZPLHGQCYANOW-YFVAEKQCSA-N 2 0 346.515 3.046 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCSc1cccc(Cl)c1)CC2 ZINC000923446861 1322753736 /nfs/dbraw/zinc/75/37/36/1322753736.db2.gz OIGYVIDJYNLJDY-OAHLLOKOSA-N 2 0 340.920 3.262 10 0 EGAERP Cc1oc(-c2cccs2)nc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923455683 1322753960 /nfs/dbraw/zinc/75/39/60/1322753960.db2.gz UUUFBSLUVVPDMJ-CQSZACIVSA-N 2 0 347.484 3.041 10 0 EGAERP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)n2)cc1F ZINC000923498107 1322762350 /nfs/dbraw/zinc/76/23/50/1322762350.db2.gz JFYXWLLMOJXJMY-KCQAQPDRSA-N 2 0 332.423 3.162 10 0 EGAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923502286 1322763611 /nfs/dbraw/zinc/76/36/11/1322763611.db2.gz YPHRRILHAKFMAQ-NEPJUHHUSA-N 2 0 344.286 3.239 10 0 EGAERP O=C(CC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1)Nc1ccccc1F ZINC000923503549 1322764707 /nfs/dbraw/zinc/76/47/07/1322764707.db2.gz LYUNDLBXLULMLW-INIZCTEOSA-N 2 0 347.478 3.256 10 0 EGAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@@H]1C[NH3+] ZINC000923504160 1322764713 /nfs/dbraw/zinc/76/47/13/1322764713.db2.gz OWDZGNWNVAQEBW-SJLPKXTDSA-N 2 0 337.467 3.209 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924603320 1323071276 /nfs/dbraw/zinc/07/12/76/1323071276.db2.gz HERGCFBIDLYHFT-LJQANCHMSA-N 2 0 332.488 3.160 10 0 EGAERP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccns1 ZINC000924644039 1323090308 /nfs/dbraw/zinc/09/03/08/1323090308.db2.gz RARAHTUUYHJPBM-AEFFLSMTSA-N 2 0 344.528 3.173 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000924960760 1323229387 /nfs/dbraw/zinc/22/93/87/1323229387.db2.gz RVYAZHUOEFZCNC-HBFSDRIKSA-N 2 0 332.536 3.150 10 0 EGAERP C[N@H+](CCCC[NH+]1CCCCC1)C[C@@](C)(O)C(F)(F)C(F)(F)F ZINC000931703980 1329167523 /nfs/dbraw/zinc/16/75/23/1329167523.db2.gz NIYRSGHSOCLQQA-CYBMUJFWSA-N 2 0 346.384 3.133 10 0 EGAERP C[C@@H]1OC[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)[C@@H]1C ZINC000925135815 1325060448 /nfs/dbraw/zinc/06/04/48/1325060448.db2.gz ZFCFHSDATFQDTJ-GQIGUUNPSA-N 2 0 328.456 3.425 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC000925156372 1325069122 /nfs/dbraw/zinc/06/91/22/1325069122.db2.gz OKUDAXSRXKSBNZ-MRXNPFEDSA-N 2 0 349.494 3.132 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC3CCC2CC3)CC1 ZINC000925224441 1325086784 /nfs/dbraw/zinc/08/67/84/1325086784.db2.gz ZXEONJXOCQQRAZ-MYKUNDNFSA-N 2 0 328.500 3.312 10 0 EGAERP CC[C@H]([NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1)c1cccc(OC)n1 ZINC000925439061 1325149772 /nfs/dbraw/zinc/14/97/72/1325149772.db2.gz HSZCADMPRIBLIW-ULQDDVLXSA-N 2 0 335.492 3.020 10 0 EGAERP COc1ccccc1[C@@H](CN[C@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925483755 1325169897 /nfs/dbraw/zinc/16/98/97/1325169897.db2.gz YBVIRZAXBLSUOU-QUCCMNQESA-N 2 0 343.515 3.096 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925487835 1325173731 /nfs/dbraw/zinc/17/37/31/1325173731.db2.gz XORGSFHPWJXGOC-OYYCAODRSA-N 2 0 349.469 3.157 10 0 EGAERP CC1CC[NH+]([C@H](CN[C@H]2C[C@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506425 1325181702 /nfs/dbraw/zinc/18/17/02/1325181702.db2.gz ZAXDHTZQFGMODZ-NJAFHUGGSA-N 2 0 333.545 3.381 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C[C@@H]([NH3+])C1 ZINC000925508247 1325182979 /nfs/dbraw/zinc/18/29/79/1325182979.db2.gz PQWVLWDPQZRSOZ-MSOLQXFVSA-N 2 0 334.479 3.370 10 0 EGAERP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925516572 1325187214 /nfs/dbraw/zinc/18/72/14/1325187214.db2.gz DQSTYWNSBANNFF-ZWKOTPCHSA-N 2 0 326.488 3.103 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523633 1325190048 /nfs/dbraw/zinc/19/00/48/1325190048.db2.gz URPUDANDVAHSNJ-CABCVRRESA-N 2 0 335.289 3.340 10 0 EGAERP c1csc(C[N@H+]2CCC[C@@H](CN[C@@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925533605 1325195407 /nfs/dbraw/zinc/19/54/07/1325195407.db2.gz CMCFEIJHFRHTHW-FUHWJXTLSA-N 2 0 333.545 3.224 10 0 EGAERP COc1ccc(C2(C[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CCOCC2)cc1 ZINC000925561392 1325208908 /nfs/dbraw/zinc/20/89/08/1325208908.db2.gz BIEFLQQLQNGDCX-MSOLQXFVSA-N 2 0 346.515 3.239 10 0 EGAERP Cc1ccccc1C1(C[NH2+][C@@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925560470 1325209145 /nfs/dbraw/zinc/20/91/45/1325209145.db2.gz XUTLTKMVLXHLCJ-LJQANCHMSA-N 2 0 328.500 3.308 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925561743 1325210083 /nfs/dbraw/zinc/21/00/83/1325210083.db2.gz DNYGTSRCCJFGDT-VLQPXKRTSA-N 2 0 331.479 3.018 10 0 EGAERP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)c21 ZINC000925627172 1325238323 /nfs/dbraw/zinc/23/83/23/1325238323.db2.gz AAAUQKPWMWKZPH-QZTJIDSGSA-N 2 0 341.499 3.477 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CO)c2ccc(C(F)(F)F)cc2)C1 ZINC000925631636 1325239482 /nfs/dbraw/zinc/23/94/82/1325239482.db2.gz VSSXDSCRJXNIOF-KFWWJZLASA-N 2 0 330.394 3.234 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000925660111 1325253717 /nfs/dbraw/zinc/25/37/17/1325253717.db2.gz ZUQBHUVCVJZOCC-OXJNMPFZSA-N 2 0 348.437 3.186 10 0 EGAERP CC1(C)[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678198 1325259589 /nfs/dbraw/zinc/25/95/89/1325259589.db2.gz SNOUJDDRLXXTMG-VHDGCEQUSA-N 2 0 327.394 3.009 10 0 EGAERP Fc1cc2[nH]cc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@H]5C[C@H]3C[C@H]45)c2cc1Cl ZINC000925718280 1325268792 /nfs/dbraw/zinc/26/87/92/1325268792.db2.gz JVMLBGJHXPUMHQ-OCBAZWNDSA-N 2 0 333.838 3.089 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccc(Br)cc3)CC2)C12CCC2 ZINC000925728971 1325273071 /nfs/dbraw/zinc/27/30/71/1325273071.db2.gz GLIHKEQIMWPCTJ-LSDHHAIUSA-N 2 0 335.289 3.340 10 0 EGAERP Nc1cc[nH+]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)c1 ZINC000925768732 1325291585 /nfs/dbraw/zinc/29/15/85/1325291585.db2.gz WMMHLJNBTLLKMN-HBMCJLEFSA-N 2 0 336.483 3.197 10 0 EGAERP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777749 1325297279 /nfs/dbraw/zinc/29/72/79/1325297279.db2.gz QGCLGVCJXJKPDS-SJORKVTESA-N 2 0 326.431 3.062 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000925815447 1325314061 /nfs/dbraw/zinc/31/40/61/1325314061.db2.gz QZQLYYUTIPUVRE-HXUWFJFHSA-N 2 0 343.902 3.442 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C(F)(F)F ZINC000925825705 1325318963 /nfs/dbraw/zinc/31/89/63/1325318963.db2.gz IYMYTFFZMYZQKC-USXIJHARSA-N 2 0 343.437 3.156 10 0 EGAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1F ZINC000925847501 1325327486 /nfs/dbraw/zinc/32/74/86/1325327486.db2.gz YOIKIVVEYVSACX-GOSISDBHSA-N 2 0 325.447 3.081 10 0 EGAERP O=C1O[C@H](C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925850249 1325329921 /nfs/dbraw/zinc/32/99/21/1325329921.db2.gz HADKMYAKROOOHT-IRXDYDNUSA-N 2 0 348.874 3.066 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2cc(Br)cc3F)C1 ZINC000925876318 1325339280 /nfs/dbraw/zinc/33/92/80/1325339280.db2.gz UFCHUXPIIWMSNH-ZVWUFJHRSA-N 2 0 327.241 3.293 10 0 EGAERP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876582 1325339499 /nfs/dbraw/zinc/33/94/99/1325339499.db2.gz BXCWUCBLOHEIQA-SCRDCRAPSA-N 2 0 343.393 3.140 10 0 EGAERP CC(=O)Nc1cccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925887402 1325344172 /nfs/dbraw/zinc/34/41/72/1325344172.db2.gz BZCXUJVANHOSIU-ONGXBYRLSA-N 2 0 337.467 3.355 10 0 EGAERP CC(=O)NCc1ccc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)cc1 ZINC000926675483 1327661828 /nfs/dbraw/zinc/66/18/28/1327661828.db2.gz AEMBODQJRRUGNS-INIZCTEOSA-N 2 0 339.483 3.235 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(C)(C)CO ZINC000926727588 1327686646 /nfs/dbraw/zinc/68/66/46/1327686646.db2.gz VJUJWYLVEBDXOH-PKOBYXMFSA-N 2 0 330.516 3.285 10 0 EGAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000926854643 1327741792 /nfs/dbraw/zinc/74/17/92/1327741792.db2.gz DXKWCAAIDIDKEJ-INIZCTEOSA-N 2 0 345.512 3.211 10 0 EGAERP CC(C)(C)OC1CCC([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000865698787 1329730700 /nfs/dbraw/zinc/73/07/00/1329730700.db2.gz TXSRKWLKGDCFNL-UHFFFAOYSA-N 2 0 328.460 3.483 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865764660 1329736332 /nfs/dbraw/zinc/73/63/32/1329736332.db2.gz KOFYEBOVJKQESA-UHFFFAOYSA-N 2 0 326.282 3.197 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)CC1 ZINC000865765708 1329736424 /nfs/dbraw/zinc/73/64/24/1329736424.db2.gz IRGQYLAUDBBROT-UHFFFAOYSA-N 2 0 338.879 3.464 10 0 EGAERP Cc1nn(C)c(Cl)c1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773678 1329736846 /nfs/dbraw/zinc/73/68/46/1329736846.db2.gz HLJKJJMAPMDJKY-UHFFFAOYSA-N 2 0 346.906 3.135 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2nc3c(s2)CCC3)(c2ccccc2)CC1 ZINC000865774569 1329736997 /nfs/dbraw/zinc/73/69/97/1329736997.db2.gz XJDITILYUYYDOZ-UHFFFAOYSA-N 2 0 341.524 3.385 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866228000 1330080993 /nfs/dbraw/zinc/08/09/93/1330080993.db2.gz YAHPOXJYFIROJL-FQEVSTJZSA-N 2 0 337.511 3.443 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866233828 1330082101 /nfs/dbraw/zinc/08/21/01/1330082101.db2.gz YUYAFEZEFOEZGE-YRNRMSPPSA-N 2 0 333.495 3.065 10 0 EGAERP C[C@@H](C[NH2+][C@@H]1CCc2cccc3cccc1c32)CN1CC[NH+](C)CC1 ZINC000866259956 1330086851 /nfs/dbraw/zinc/08/68/51/1330086851.db2.gz RDCRTLRPHMUCSI-LAUBAEHRSA-N 2 0 337.511 3.300 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)N(CC(C)C)CC1CC[NH+](C)CC1 ZINC000868164393 1330257391 /nfs/dbraw/zinc/25/73/91/1330257391.db2.gz XBNNJDAZVRSETO-UHFFFAOYSA-N 2 0 346.519 3.238 10 0 EGAERP CCCN(CC[NH+](CC)CC)C(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868181336 1330259348 /nfs/dbraw/zinc/25/93/48/1330259348.db2.gz QAUXFWSAQSTZES-ZWKOTPCHSA-N 2 0 332.492 3.087 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323095024 1387288816 /nfs/dbraw/zinc/28/88/16/1387288816.db2.gz VBBNRLSXSOLJMN-FQEVSTJZSA-N 2 0 347.547 3.092 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@H]1CC ZINC001323163382 1387304696 /nfs/dbraw/zinc/30/46/96/1387304696.db2.gz TYNBTRKPBISBAY-NHQAVIFJSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)cc1 ZINC001324087273 1387536548 /nfs/dbraw/zinc/53/65/48/1387536548.db2.gz IBIUHWCPZMNOHU-ICSRJNTNSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@@H]1C ZINC001324098073 1387541137 /nfs/dbraw/zinc/54/11/37/1387541137.db2.gz PCVUXESXHKUCPK-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001324169430 1387550280 /nfs/dbraw/zinc/55/02/80/1387550280.db2.gz XGRAMHGMZAYHBZ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001324317877 1387590016 /nfs/dbraw/zinc/59/00/16/1387590016.db2.gz CTVRINZKWKVHDY-QWNKOJSDSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001324496022 1387649615 /nfs/dbraw/zinc/64/96/15/1387649615.db2.gz SPRNETOQMUMAPD-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001324533574 1387661265 /nfs/dbraw/zinc/66/12/65/1387661265.db2.gz SDHYVHWSKZVILA-QYZOEREBSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001324797711 1387775892 /nfs/dbraw/zinc/77/58/92/1387775892.db2.gz KJPDXLLYVQWCMH-QUCCMNQESA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001324960681 1387855377 /nfs/dbraw/zinc/85/53/77/1387855377.db2.gz IGJDXAHWJKOJRK-WIYYLYMNSA-N 2 0 349.563 3.269 10 0 EGAERP c1cc(N2CCC[N@@H+](C[C@H]3CCCC34CCOCC4)CC2)cc[nH+]1 ZINC001195534229 1368450818 /nfs/dbraw/zinc/45/08/18/1368450818.db2.gz AVPFFDDECIJKLI-GOSISDBHSA-N 2 0 329.488 3.191 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001326285637 1388141998 /nfs/dbraw/zinc/14/19/98/1388141998.db2.gz GEKVJKLUPQTOEG-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001326307056 1388148975 /nfs/dbraw/zinc/14/89/75/1388148975.db2.gz YRHZWQPYPKJKGW-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001128709457 1373304268 /nfs/dbraw/zinc/30/42/68/1373304268.db2.gz PZZPEQFCLWSACT-QUCCMNQESA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)C1 ZINC001326876165 1388335519 /nfs/dbraw/zinc/33/55/19/1388335519.db2.gz VWLSZNQFDMQGRS-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001327226226 1388454035 /nfs/dbraw/zinc/45/40/35/1388454035.db2.gz YMIUFKWIEHRYNC-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264122070 1377140191 /nfs/dbraw/zinc/14/01/91/1377140191.db2.gz FUFSKVJGENOSFF-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001266059126 1377179480 /nfs/dbraw/zinc/17/94/80/1377179480.db2.gz DYKKUYOOLDHSMJ-HZPDHXFCSA-N 2 0 341.515 3.016 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](C)C ZINC001266103021 1377187179 /nfs/dbraw/zinc/18/71/79/1377187179.db2.gz NYTRCPDPCRFWDN-DLBZAZTESA-N 2 0 325.541 3.076 10 0 EGAERP C[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001266238110 1377241341 /nfs/dbraw/zinc/24/13/41/1377241341.db2.gz KHTGNZWACBJZKN-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001266732351 1377369562 /nfs/dbraw/zinc/36/95/62/1377369562.db2.gz DXOHPUAHFADYQM-HDICACEKSA-N 2 0 337.552 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266856141 1377396843 /nfs/dbraw/zinc/39/68/43/1377396843.db2.gz KCJXHOIXCFJHGA-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456407 1377445798 /nfs/dbraw/zinc/44/57/98/1377445798.db2.gz WLNUHLFJZFLCKT-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](c1ccccc1)[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001268045693 1377484544 /nfs/dbraw/zinc/48/45/44/1377484544.db2.gz GARRDBRNMJJMKN-LJQANCHMSA-N 2 0 343.515 3.014 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001268156770 1377489267 /nfs/dbraw/zinc/48/92/67/1377489267.db2.gz QUQOFFXTULELJK-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741543 1377523304 /nfs/dbraw/zinc/52/33/04/1377523304.db2.gz TZGPBBFEYFGWSL-ADYSOMBNSA-N 2 0 343.515 3.011 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001269570661 1377559062 /nfs/dbraw/zinc/55/90/62/1377559062.db2.gz PFOXDJHDDUOUEW-XVLXNVKGSA-N 2 0 337.552 3.409 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001272152605 1377658482 /nfs/dbraw/zinc/65/84/82/1377658482.db2.gz YVOBOABMXUQNON-WOJBJXKFSA-N 2 0 345.531 3.006 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1)[NH+](CC)CC ZINC001273783093 1378111493 /nfs/dbraw/zinc/11/14/93/1378111493.db2.gz UYCDHRIRZZWTIE-SFHVURJKSA-N 2 0 337.552 3.434 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001273782711 1378111556 /nfs/dbraw/zinc/11/15/56/1378111556.db2.gz MHGKNLJCXXYEJL-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C/C=C/CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001274414203 1378124204 /nfs/dbraw/zinc/12/42/04/1378124204.db2.gz RLHNMRVKKWWNCQ-FKDQEEMOSA-N 2 0 349.563 3.197 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001327488281 1388533204 /nfs/dbraw/zinc/53/32/04/1388533204.db2.gz FNWFHFQFTJEMIC-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001278450783 1378271911 /nfs/dbraw/zinc/27/19/11/1378271911.db2.gz FQQBVTFDZWCKDW-QEUVDIPISA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279045734 1378296578 /nfs/dbraw/zinc/29/65/78/1378296578.db2.gz MKMUOTIOBPVFHS-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC001281912570 1378456795 /nfs/dbraw/zinc/45/67/95/1378456795.db2.gz OCFAQTXBPYQQBA-VAMGGRTRSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C2CCC([NH2+]CC=C(C)C)CC2)C1 ZINC001282269319 1378493664 /nfs/dbraw/zinc/49/36/64/1378493664.db2.gz CTHBLLQHJJMTEV-XEVCZEQESA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C[N@H+](C)C1CCC1 ZINC001283188513 1378756939 /nfs/dbraw/zinc/75/69/39/1378756939.db2.gz IBOWIPSJKPXUSK-UZLBHIALSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCCC(C)(C)C ZINC001283449764 1378945596 /nfs/dbraw/zinc/94/55/96/1378945596.db2.gz RDHLPDQPQIOPGL-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001283652235 1379082265 /nfs/dbraw/zinc/08/22/65/1379082265.db2.gz DNXPTZLSAQBPNP-QZTJIDSGSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001283997743 1379350799 /nfs/dbraw/zinc/35/07/99/1379350799.db2.gz DCRIOOMTVFXBPU-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCc1ccccc1C[NH2+][C@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027520 1379375556 /nfs/dbraw/zinc/37/55/56/1379375556.db2.gz VYUOPLPYHZMXRF-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H]1C[C@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027519 1379375684 /nfs/dbraw/zinc/37/56/84/1379375684.db2.gz VYUOPLPYHZMXRF-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001284072447 1379435841 /nfs/dbraw/zinc/43/58/41/1379435841.db2.gz RITXNZWWKGQOQG-WSTZPKSXSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001284104216 1379476959 /nfs/dbraw/zinc/47/69/59/1379476959.db2.gz WUDSVRSMXYKZKF-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001284187571 1379579717 /nfs/dbraw/zinc/57/97/17/1379579717.db2.gz DFNRNTBEAAWEGK-IAGOWNOFSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccc(F)cc1 ZINC001284312282 1379702245 /nfs/dbraw/zinc/70/22/45/1379702245.db2.gz GMTMLZPUYKEFGB-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC001152052786 1379851716 /nfs/dbraw/zinc/85/17/16/1379851716.db2.gz JFEVMIIXNCUWTD-RBUKOAKNSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001284558482 1379967354 /nfs/dbraw/zinc/96/73/54/1379967354.db2.gz MPDQEAOOSQAQTD-AEFFLSMTSA-N 2 0 349.494 3.007 10 0 EGAERP Cc1nc[nH]c1CC(=O)N(CC[N@H+](C)CCC1CCCCC1)C(C)C ZINC001284558931 1379968323 /nfs/dbraw/zinc/96/83/23/1379968323.db2.gz PRNPAWQCLIOXAV-UHFFFAOYSA-N 2 0 348.535 3.400 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284598320 1379999208 /nfs/dbraw/zinc/99/92/08/1379999208.db2.gz NGFLZPOBQHMJBG-ZWKOTPCHSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001284633434 1380037761 /nfs/dbraw/zinc/03/77/61/1380037761.db2.gz XOOHUOMMCQPXBG-AEFFLSMTSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001284652985 1380068140 /nfs/dbraw/zinc/06/81/40/1380068140.db2.gz OJQOGLXUOMUGOT-GOSISDBHSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001284653594 1380069872 /nfs/dbraw/zinc/06/98/72/1380069872.db2.gz SSOOYSUUEGGKKK-RTBURBONSA-N 2 0 345.531 3.135 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001284724328 1380144988 /nfs/dbraw/zinc/14/49/88/1380144988.db2.gz VHYBPIQEFFYPQI-FNYRVFDFSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001284770909 1380196404 /nfs/dbraw/zinc/19/64/04/1380196404.db2.gz LTWIRWNEGGTWLR-NKELODKYSA-N 2 0 335.536 3.163 10 0 EGAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001328038402 1388651195 /nfs/dbraw/zinc/65/11/95/1388651195.db2.gz HDHVUOFQUVJSLL-SFHVURJKSA-N 2 0 331.504 3.060 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001328098549 1388670663 /nfs/dbraw/zinc/67/06/63/1388670663.db2.gz OGBNTWQZENBYDW-ZMBJWTFHSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC001328286488 1388716337 /nfs/dbraw/zinc/71/63/37/1388716337.db2.gz UTOZHZFOJCWVIR-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](C)CCc1cccc(C(=O)NCCC[N@H+](C)C2CCCCC2)c1 ZINC001290238166 1382072818 /nfs/dbraw/zinc/07/28/18/1382072818.db2.gz INHBGOXWFKFWIN-UHFFFAOYSA-N 2 0 345.531 3.175 10 0 EGAERP CC(C)C[N@@H+]1Cc2cccc(NC(=O)CC[NH+]3CC[C@@H](F)C3)c2C1 ZINC001295452894 1382645244 /nfs/dbraw/zinc/64/52/44/1382645244.db2.gz DDBIGQAIHNHKMJ-MRXNPFEDSA-N 2 0 333.451 3.031 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001328693176 1388810459 /nfs/dbraw/zinc/81/04/59/1388810459.db2.gz DXTNVCIZYUGEFG-VAMGGRTRSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001328693284 1388811369 /nfs/dbraw/zinc/81/13/69/1388811369.db2.gz HAMQSSZQYATTQA-TZIWHRDSSA-N 2 0 343.515 3.034 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001328753465 1388844866 /nfs/dbraw/zinc/84/48/66/1388844866.db2.gz RTMQRGYGVPJYBQ-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+](Cc1ccccc1)C[C@H](CN1C[C@H]2C[NH2+]C[C@@H]2C1)c1ccccc1 ZINC001167100144 1383538972 /nfs/dbraw/zinc/53/89/72/1383538972.db2.gz FKOHAVHHQADQCB-DNVJHFABSA-N 2 0 349.522 3.053 10 0 EGAERP CC[C@H](F)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001328796495 1388866674 /nfs/dbraw/zinc/86/66/74/1388866674.db2.gz IIXLAOURQIKEDM-RBUKOAKNSA-N 2 0 349.494 3.033 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001306841505 1383909708 /nfs/dbraw/zinc/90/97/08/1383909708.db2.gz CBVKJPMBCZQWHM-KRWDZBQOSA-N 2 0 337.552 3.220 10 0 EGAERP OC[C@@H]([NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCC1 ZINC001307923283 1384057281 /nfs/dbraw/zinc/05/72/81/1384057281.db2.gz GXJXJGMXFQWLDF-OAQYLSRUSA-N 2 0 330.516 3.082 10 0 EGAERP CC1CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001316619012 1384484853 /nfs/dbraw/zinc/48/48/53/1384484853.db2.gz AFONLVOXLYKWPC-YHFFBGSDSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001316624448 1384490019 /nfs/dbraw/zinc/49/00/19/1384490019.db2.gz NMQSCFCOJPHNMX-HSALFYBXSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001316793655 1384585994 /nfs/dbraw/zinc/58/59/94/1384585994.db2.gz YEJWEDBEYABQJA-MJGOQNOKSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1cccc([C@@H](C)[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001316825851 1384619492 /nfs/dbraw/zinc/61/94/92/1384619492.db2.gz VYGYTVXMZMMATP-UYAOXDASSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1)[NH+]1CCCC1 ZINC001317035445 1384805658 /nfs/dbraw/zinc/80/56/58/1384805658.db2.gz UFAKEOQWZWYZHV-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317050855 1384827131 /nfs/dbraw/zinc/82/71/31/1384827131.db2.gz ZIIJSFKOILPKQY-HSALFYBXSA-N 2 0 349.563 3.218 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001329057934 1388949113 /nfs/dbraw/zinc/94/91/13/1388949113.db2.gz XOTXAZVDYJKRFA-QZTJIDSGSA-N 2 0 345.531 3.079 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CC3CCC3)CC[C@@H]21)CC(C)(C)C ZINC001317105975 1384869509 /nfs/dbraw/zinc/86/95/09/1384869509.db2.gz PKCRICVMHYECBB-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317200949 1384977071 /nfs/dbraw/zinc/97/70/71/1384977071.db2.gz WHZQGNJVSRIJEB-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241637 1385014287 /nfs/dbraw/zinc/01/42/87/1385014287.db2.gz MOFBZRNFLYTQOL-UZLBHIALSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@@H](CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407038 1385119133 /nfs/dbraw/zinc/11/91/33/1385119133.db2.gz VFDVUKUPQCAWLW-HNAYVOBHSA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001317415166 1385125239 /nfs/dbraw/zinc/12/52/39/1385125239.db2.gz IUZAYQSGMUZRCQ-GJZGRUSLSA-N 2 0 339.911 3.226 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001317507462 1385215401 /nfs/dbraw/zinc/21/54/01/1385215401.db2.gz ZSSGUYAYTSDTGT-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001317514355 1385228226 /nfs/dbraw/zinc/22/82/26/1385228226.db2.gz UWCRLURBRPYPTG-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC1(C)CC(C[N@H+](CCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)C2CC2)C1 ZINC001317553022 1385316086 /nfs/dbraw/zinc/31/60/86/1385316086.db2.gz DRTVTXCJGCNUQN-RTBURBONSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[NH+](CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001317554127 1385318075 /nfs/dbraw/zinc/31/80/75/1385318075.db2.gz DEFTZBRWYKBDOU-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@H+](CCN(C)Cc1ccccc1)CC1CC[NH+](C)CC1 ZINC001175601354 1385345709 /nfs/dbraw/zinc/34/57/09/1385345709.db2.gz KOWTYGAAEWUJCI-UHFFFAOYSA-N 2 0 331.548 3.418 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001317676673 1385383480 /nfs/dbraw/zinc/38/34/80/1385383480.db2.gz MTPMJSWAGNSWGS-KRWDZBQOSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001317713790 1385415177 /nfs/dbraw/zinc/41/51/77/1385415177.db2.gz HXAKJDWOUGPLTJ-WOJBJXKFSA-N 2 0 345.531 3.165 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317758045 1385447805 /nfs/dbraw/zinc/44/78/05/1385447805.db2.gz CQARCQFJUJDYAJ-BHIYHBOVSA-N 2 0 349.563 3.076 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001317769847 1385460593 /nfs/dbraw/zinc/46/05/93/1385460593.db2.gz LPVMUICXSMCFFP-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001318301324 1385645601 /nfs/dbraw/zinc/64/56/01/1385645601.db2.gz PNZOCGLBLUTSFI-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCCC1CCC1 ZINC001318543694 1385748049 /nfs/dbraw/zinc/74/80/49/1385748049.db2.gz ZFKFRSVGRDNTPB-QGZVFWFLSA-N 2 0 342.487 3.321 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001318652959 1385816710 /nfs/dbraw/zinc/81/67/10/1385816710.db2.gz MMMPHVGKZAQLPI-IBGZPJMESA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001318860717 1385863902 /nfs/dbraw/zinc/86/39/02/1385863902.db2.gz NZXDWNGVAIXBPW-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCC2CCCC2)CC1 ZINC001318906842 1385877584 /nfs/dbraw/zinc/87/75/84/1385877584.db2.gz FAGVWXCANNYNRR-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001318952795 1385894639 /nfs/dbraw/zinc/89/46/39/1385894639.db2.gz KLCUHENYAQQRBS-BRSBDYLESA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001318956113 1385895387 /nfs/dbraw/zinc/89/53/87/1385895387.db2.gz KUCLMBZBPGQARP-GUDVDZBRSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C/CC[NH+]1CCC(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319046036 1385944382 /nfs/dbraw/zinc/94/43/82/1385944382.db2.gz XSWRELJMZTVPBT-QCUQMOABSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C1CCC1)CC2 ZINC001319142083 1385976048 /nfs/dbraw/zinc/97/60/48/1385976048.db2.gz KWBLUWGKPOAMJL-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250297 1386024993 /nfs/dbraw/zinc/02/49/93/1386024993.db2.gz KREQZIDWYLUHRW-FUHWJXTLSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C[NH2+]CCC(C)(C)C ZINC001319256647 1386027568 /nfs/dbraw/zinc/02/75/68/1386027568.db2.gz HXZSGWJSMKNSEY-MRXNPFEDSA-N 2 0 333.520 3.140 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001319376918 1386090184 /nfs/dbraw/zinc/09/01/84/1386090184.db2.gz DCOZHHUCFVLSTK-GOSISDBHSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001319410265 1386109176 /nfs/dbraw/zinc/10/91/76/1386109176.db2.gz BJEFGNNXGFFFTN-ASIGSXEYSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319516474 1386156841 /nfs/dbraw/zinc/15/68/41/1386156841.db2.gz XXENYSGIBHJCCK-IEBWSBKVSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001319633096 1386220651 /nfs/dbraw/zinc/22/06/51/1386220651.db2.gz DPQBSDOVHYORPT-IEBWSBKVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319633095 1386220989 /nfs/dbraw/zinc/22/09/89/1386220989.db2.gz DPQBSDOVHYORPT-HKUYNNGSSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001319658113 1386237574 /nfs/dbraw/zinc/23/75/74/1386237574.db2.gz WFEFYMWOXYXIJW-MOPGFXCFSA-N 2 0 337.552 3.170 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001319695582 1386256148 /nfs/dbraw/zinc/25/61/48/1386256148.db2.gz GOAFJPCKBPMULN-AWTIPJNISA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCC2)CC1 ZINC001319777154 1386292311 /nfs/dbraw/zinc/29/23/11/1386292311.db2.gz FTHJKSVOKBJCKO-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCC2)CC1 ZINC001319777156 1386292746 /nfs/dbraw/zinc/29/27/46/1386292746.db2.gz FTHJKSVOKBJCKO-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001319823664 1386319203 /nfs/dbraw/zinc/31/92/03/1386319203.db2.gz CREHBRWHECZVGQ-UYAOXDASSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001319864177 1386343272 /nfs/dbraw/zinc/34/32/72/1386343272.db2.gz MSCTZLQTAMHWLY-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320034121 1386465220 /nfs/dbraw/zinc/46/52/20/1386465220.db2.gz PWLQJBXBCXYQJC-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](CC[NH2+]CC/C=C\c1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320463395 1386616339 /nfs/dbraw/zinc/61/63/39/1386616339.db2.gz GXHMSNVQKLDXLS-CHURTQQKSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001320569255 1386653492 /nfs/dbraw/zinc/65/34/92/1386653492.db2.gz HWAWQRHLVHONMD-TVRKMHQQSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C)CC1 ZINC001320597614 1386661481 /nfs/dbraw/zinc/66/14/81/1386661481.db2.gz OYYUBHSVEKTZFE-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[NH2+]C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CCCC[C@H]1C ZINC001698659496 1406310627 /nfs/dbraw/zinc/31/06/27/1406310627.db2.gz GXCWXJZPCLSAHZ-QUCCMNQESA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001320643965 1386677470 /nfs/dbraw/zinc/67/74/70/1386677470.db2.gz IFTCNUNNBFKQEI-AZUAARDMSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC001321907812 1387008441 /nfs/dbraw/zinc/00/84/41/1387008441.db2.gz SCKKPQXHIJHJJO-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CC(C)C2)CC1 ZINC001698693556 1406338001 /nfs/dbraw/zinc/33/80/01/1406338001.db2.gz CQZJSLNEBYLXLX-LYBXBRPPSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](Cc2ccc(C(=O)N3CCCC3)cc2)C1 ZINC001329316729 1389059481 /nfs/dbraw/zinc/05/94/81/1389059481.db2.gz POZLEHOMVLQIDD-NRFANRHFSA-N 2 0 343.515 3.120 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001329328082 1389064236 /nfs/dbraw/zinc/06/42/36/1389064236.db2.gz OLMFDTYGTZIVMU-KRWDZBQOSA-N 2 0 333.520 3.082 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001329750543 1389218369 /nfs/dbraw/zinc/21/83/69/1389218369.db2.gz PNADJEYABDHVOZ-SFHVURJKSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001698718989 1406364054 /nfs/dbraw/zinc/36/40/54/1406364054.db2.gz ZFVNJGVCHPDNIX-UXHICEINSA-N 2 0 343.515 3.065 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CCCCC[N@@H+]2Cc2ccsc2)CCC1 ZINC001329924992 1389262194 /nfs/dbraw/zinc/26/21/94/1389262194.db2.gz ZDZUCBYWUGDWFE-QGZVFWFLSA-N 2 0 349.544 3.093 10 0 EGAERP Cc1c[nH+]c2ccccc2c1NCc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC001330079998 1389302813 /nfs/dbraw/zinc/30/28/13/1389302813.db2.gz TXOAEVJJUYDXIP-LJQANCHMSA-N 2 0 347.462 3.144 10 0 EGAERP CC(C)(C(=O)NCCC1CC[NH+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001698725174 1406374287 /nfs/dbraw/zinc/37/42/87/1406374287.db2.gz ZVDNYZCNBMHQCO-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001330485611 1389427723 /nfs/dbraw/zinc/42/77/23/1389427723.db2.gz INARGPCLXLVTDU-SFFCAUCYSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001698726916 1406377606 /nfs/dbraw/zinc/37/76/06/1406377606.db2.gz JZICCLFOWYLMLK-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001698735430 1406385280 /nfs/dbraw/zinc/38/52/80/1406385280.db2.gz IEDGDODWUURAMJ-WAYWQWQTSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC(C)(C)C ZINC001331202532 1389653335 /nfs/dbraw/zinc/65/33/35/1389653335.db2.gz JYBJCVWAGAGOQW-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCCCF)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001332031317 1389952692 /nfs/dbraw/zinc/95/26/92/1389952692.db2.gz KOLKOWUWCQCUKY-LPHOPBHVSA-N 2 0 349.494 3.081 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001332158100 1390010986 /nfs/dbraw/zinc/01/09/86/1390010986.db2.gz KDLQQFLVDROJGZ-XUVXKRRUSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698759952 1406413759 /nfs/dbraw/zinc/41/37/59/1406413759.db2.gz FVWXTVOREDVXMH-CVEARBPZSA-N 2 0 349.494 3.103 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCC1CCCCC1 ZINC001698763332 1406418582 /nfs/dbraw/zinc/41/85/82/1406418582.db2.gz YETBFZGEGYHSIR-LNLFQRSKSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001332404822 1390107920 /nfs/dbraw/zinc/10/79/20/1390107920.db2.gz MLOHSWCDUWWHOC-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001332428433 1390114918 /nfs/dbraw/zinc/11/49/18/1390114918.db2.gz OZYZNUKZFJYARX-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H]([NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)c1ccccc1 ZINC001332436949 1390117249 /nfs/dbraw/zinc/11/72/49/1390117249.db2.gz ISAGZRVEBGMQCZ-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786684 1390188002 /nfs/dbraw/zinc/18/80/02/1390188002.db2.gz CWLMXTYFKVMSSY-RBUKOAKNSA-N 2 0 349.563 3.480 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C[NH2+]CC(C)C)C(C)(C)C)c1ccccc1 ZINC001332881475 1390207905 /nfs/dbraw/zinc/20/79/05/1390207905.db2.gz JWVCRPVONIZTRI-OALUTQOASA-N 2 0 347.547 3.456 10 0 EGAERP c1ccc2c(c1)CC[C@H](C[NH+]1CCC([NH2+]C3CCOCC3)CC1)C2 ZINC001333733191 1390387179 /nfs/dbraw/zinc/38/71/79/1390387179.db2.gz CMOXWGSYSBQMNI-KRWDZBQOSA-N 2 0 328.500 3.025 10 0 EGAERP Cc1c(C(=O)NCC2([NH2+]CC[C@H](C)F)CCCC2)ccc2c[nH+]cn21 ZINC001698798032 1406469285 /nfs/dbraw/zinc/46/92/85/1406469285.db2.gz OVSSJAVUSYCHAR-AWEZNQCLSA-N 2 0 346.450 3.023 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CCCC1 ZINC001698799731 1406473365 /nfs/dbraw/zinc/47/33/65/1406473365.db2.gz JGKXSUKSPYYATF-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001698802536 1406480643 /nfs/dbraw/zinc/48/06/43/1406480643.db2.gz GDWUWOMWJGMUDR-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001349869840 1391378298 /nfs/dbraw/zinc/37/82/98/1391378298.db2.gz PEYAGDUXULSUGN-AZUAARDMSA-N 2 0 345.531 3.278 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001350310302 1391445157 /nfs/dbraw/zinc/44/51/57/1391445157.db2.gz SZBNUEOWUAUBJS-UHFFFAOYSA-N 2 0 338.499 3.494 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001479337849 1392218931 /nfs/dbraw/zinc/21/89/31/1392218931.db2.gz FJLPQWXRLJEKRC-CEXWTWQISA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479527107 1392270061 /nfs/dbraw/zinc/27/00/61/1392270061.db2.gz ZDIHXMZYUKKEJZ-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001479557135 1392274938 /nfs/dbraw/zinc/27/49/38/1392274938.db2.gz IXBXYVIYZSSMPE-CXLYAGSJSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479562596 1392276552 /nfs/dbraw/zinc/27/65/52/1392276552.db2.gz VCARVUKLHQDTJL-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001479747587 1392364810 /nfs/dbraw/zinc/36/48/10/1392364810.db2.gz ZLLSNWVJBMLAMT-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1cc(C)cc(C)c1 ZINC001479845849 1392427785 /nfs/dbraw/zinc/42/77/85/1392427785.db2.gz XUQWYSZHHBZYOD-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC2CC(C)(C)C2)C2CC2)CC[N@@H+]1C ZINC001479868294 1392445311 /nfs/dbraw/zinc/44/53/11/1392445311.db2.gz CHBUXELUVALNTR-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001479889704 1392460437 /nfs/dbraw/zinc/46/04/37/1392460437.db2.gz KFYWCMFQCADYET-WOJBJXKFSA-N 2 0 349.563 3.362 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957396 1392493691 /nfs/dbraw/zinc/49/36/91/1392493691.db2.gz XNQIYDFIMWBAGW-DKRLNXSXSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001480166789 1392607114 /nfs/dbraw/zinc/60/71/14/1392607114.db2.gz BIMWMRLDOPRGRV-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480190259 1392619737 /nfs/dbraw/zinc/61/97/37/1392619737.db2.gz YTEMQRRAKKWKSI-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001480237325 1392630947 /nfs/dbraw/zinc/63/09/47/1392630947.db2.gz VKSMHSOEVWVWKZ-KDURUIRLSA-N 2 0 335.536 3.070 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480318380 1392678069 /nfs/dbraw/zinc/67/80/69/1392678069.db2.gz BDZMIKUOBAPDJE-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480373311 1392715045 /nfs/dbraw/zinc/71/50/45/1392715045.db2.gz OXLIUSGIUQYXAC-OALUTQOASA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001480597754 1392812354 /nfs/dbraw/zinc/81/23/54/1392812354.db2.gz UKBDBTQYOQPLME-HKUYNNGSSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001480597899 1392813088 /nfs/dbraw/zinc/81/30/88/1392813088.db2.gz WCKLXWZMVDPARO-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001480649233 1392835955 /nfs/dbraw/zinc/83/59/55/1392835955.db2.gz SWAFUXYLHWYUNJ-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480736798 1392901824 /nfs/dbraw/zinc/90/18/24/1392901824.db2.gz JCXDGULEGJYXQB-ROUKRRSUSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742503 1392908314 /nfs/dbraw/zinc/90/83/14/1392908314.db2.gz MKOMXZOTVIJXBQ-VZSQWMKGSA-N 2 0 335.536 3.142 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001480813187 1392950752 /nfs/dbraw/zinc/95/07/52/1392950752.db2.gz GAUTWHFTHAQJCK-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001698877122 1406602063 /nfs/dbraw/zinc/60/20/63/1406602063.db2.gz AHYIMHRFUPBGNA-ACBHZAAOSA-N 2 0 349.563 3.029 10 0 EGAERP CC1CCC(C[N@H+](C)CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001480873646 1392993215 /nfs/dbraw/zinc/99/32/15/1392993215.db2.gz INUBZTVOLRSVTM-AFMYVXGZSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001480884972 1392998889 /nfs/dbraw/zinc/99/88/89/1392998889.db2.gz ZKXWEIWXVPNUOX-VOTSOKGWSA-N 2 0 328.460 3.051 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC(C)C)C2CCCCC2)CC[N@@H+]1C ZINC001698878426 1406604634 /nfs/dbraw/zinc/60/46/34/1406604634.db2.gz APZYHLKKMKHQRQ-GBESFXJTSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CCC(C)CC1 ZINC001480974184 1393059567 /nfs/dbraw/zinc/05/95/67/1393059567.db2.gz GZXHVRKOIROVAO-ACBHZAAOSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001481121277 1393125377 /nfs/dbraw/zinc/12/53/77/1393125377.db2.gz WUFXRLKBZZMJTP-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1=CCCCC1 ZINC001481139586 1393131334 /nfs/dbraw/zinc/13/13/34/1393131334.db2.gz MGNGUMVMVZVEGX-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001481173617 1393141680 /nfs/dbraw/zinc/14/16/80/1393141680.db2.gz KOMJERBUWYXNKC-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001481236913 1393152236 /nfs/dbraw/zinc/15/22/36/1393152236.db2.gz PWDKIBLCCHNMQD-UHFFFAOYSA-N 2 0 349.544 3.362 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001481358740 1393180784 /nfs/dbraw/zinc/18/07/84/1393180784.db2.gz XTVWNYROWDGASB-PMACEKPBSA-N 2 0 345.531 3.307 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001698904373 1406637946 /nfs/dbraw/zinc/63/79/46/1406637946.db2.gz JDWWVKMTLMFRLZ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001698921122 1406656708 /nfs/dbraw/zinc/65/67/08/1406656708.db2.gz QLTIEMZXOLNWBJ-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)C1 ZINC001481372605 1394214321 /nfs/dbraw/zinc/21/43/21/1394214321.db2.gz OUGNIUKNUKPFJQ-MJGOQNOKSA-N 2 0 345.531 3.212 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CCC2CC2)CC1 ZINC001490616578 1394283976 /nfs/dbraw/zinc/28/39/76/1394283976.db2.gz HXHRHIVFZXZGAN-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481506650 1394352740 /nfs/dbraw/zinc/35/27/40/1394352740.db2.gz IUAGNIWNUOZQPO-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1cccc(F)c1 ZINC001491272790 1394499707 /nfs/dbraw/zinc/49/97/07/1394499707.db2.gz DDSOJMAERVJMCY-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001481779050 1394523429 /nfs/dbraw/zinc/52/34/29/1394523429.db2.gz QJCYVQMVSJSEOF-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CCCCC1 ZINC001481827690 1394548153 /nfs/dbraw/zinc/54/81/53/1394548153.db2.gz HLIGBQKZZWFKPD-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976155 1394637432 /nfs/dbraw/zinc/63/74/32/1394637432.db2.gz FNTZPPZCMSVBKL-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001481981583 1394643265 /nfs/dbraw/zinc/64/32/65/1394643265.db2.gz SWRQXRSLSKRQPD-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001482005192 1394665634 /nfs/dbraw/zinc/66/56/34/1394665634.db2.gz DVGYOLIZVCZTGG-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001482006962 1394666909 /nfs/dbraw/zinc/66/69/09/1394666909.db2.gz MELMAYYDKWKQMF-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001482220943 1394814594 /nfs/dbraw/zinc/81/45/94/1394814594.db2.gz POCPDKFGJPVMBM-QGZVFWFLSA-N 2 0 349.544 3.141 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001482369997 1394931975 /nfs/dbraw/zinc/93/19/75/1394931975.db2.gz QWWPPZJVMGBZGH-QGZVFWFLSA-N 2 0 347.547 3.261 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H]2[C@H](C)CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001482501207 1395053491 /nfs/dbraw/zinc/05/34/91/1395053491.db2.gz MMJYQKGENCOXEG-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001483848822 1395115752 /nfs/dbraw/zinc/11/57/52/1395115752.db2.gz VYBQRRFSHCMBPX-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001483932575 1395150265 /nfs/dbraw/zinc/15/02/65/1395150265.db2.gz KHDSUAPWTXIJQQ-HOCLYGCPSA-N 2 0 337.533 3.050 10 0 EGAERP CC1(NC(=O)CCCC[NH+]2CCCC2)CC[NH+](CC2CCC2)CC1 ZINC001483976707 1395171484 /nfs/dbraw/zinc/17/14/84/1395171484.db2.gz NUGPSEUSNNPDQT-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484062015 1395225628 /nfs/dbraw/zinc/22/56/28/1395225628.db2.gz ZPNYQFMDQHKXTA-PXDRNWIDSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072550 1395234562 /nfs/dbraw/zinc/23/45/62/1395234562.db2.gz WZKYJQMLQCQXPO-DPZZJQGRSA-N 2 0 335.536 3.189 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCC1)C2)CC(C)(C)C ZINC001484320066 1395339076 /nfs/dbraw/zinc/33/90/76/1395339076.db2.gz HUAULWGFRCAWGP-OTWHNJEPSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001484463438 1395398002 /nfs/dbraw/zinc/39/80/02/1395398002.db2.gz JPGJLCXIWWLKLW-AQNXPRMDSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484560292 1395443312 /nfs/dbraw/zinc/44/33/12/1395443312.db2.gz YBKMFOYRQXNQDY-XLIONFOSSA-N 2 0 345.531 3.484 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001484618163 1395452586 /nfs/dbraw/zinc/45/25/86/1395452586.db2.gz INMUCHAMORRDRR-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)CCC)C2 ZINC001484831657 1395568693 /nfs/dbraw/zinc/56/86/93/1395568693.db2.gz TUHRXMROGVQAHJ-FQEVSTJZSA-N 2 0 337.552 3.223 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978929 1395618806 /nfs/dbraw/zinc/61/88/06/1395618806.db2.gz KIIVXDAKANWWMA-PKOBYXMFSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001485164674 1395678740 /nfs/dbraw/zinc/67/87/40/1395678740.db2.gz UCDPUEXDGSVBIS-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001485227106 1395721622 /nfs/dbraw/zinc/72/16/22/1395721622.db2.gz VAISQQOVYFYLTD-MSOLQXFVSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001698990906 1406780638 /nfs/dbraw/zinc/78/06/38/1406780638.db2.gz MTIHNOPUGPQLOP-INIZCTEOSA-N 2 0 325.541 3.076 10 0 EGAERP CCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001485336759 1395809259 /nfs/dbraw/zinc/80/92/59/1395809259.db2.gz NUSUNQWFULYMQH-KRWDZBQOSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001485342020 1395813646 /nfs/dbraw/zinc/81/36/46/1395813646.db2.gz NLGVGLJLWCCHNK-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CCC1=CCCCC1 ZINC001485359200 1395834001 /nfs/dbraw/zinc/83/40/01/1395834001.db2.gz WFWHULBTKMUXSC-QGZVFWFLSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccsc2)CCCCC1 ZINC001485454218 1395923376 /nfs/dbraw/zinc/92/33/76/1395923376.db2.gz QYPBUEWFDLYPPV-KRWDZBQOSA-N 2 0 349.544 3.141 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001485570357 1396035677 /nfs/dbraw/zinc/03/56/77/1396035677.db2.gz BSHRUNRSKHPYQY-IBQUMJASSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[N@H+](CCC3CC3)CC2(C)C)CCCCC1 ZINC001485573318 1396040853 /nfs/dbraw/zinc/04/08/53/1396040853.db2.gz XQXOKUOXVSRXLY-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001485579286 1396051765 /nfs/dbraw/zinc/05/17/65/1396051765.db2.gz KCFYTBWFWAULMV-IEBWSBKVSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1c(C(=O)N[C@H](C)CCC[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001485729040 1396121340 /nfs/dbraw/zinc/12/13/40/1396121340.db2.gz GWFFKPOOBXYYMH-OAHLLOKOSA-N 2 0 330.476 3.177 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001485780073 1396150046 /nfs/dbraw/zinc/15/00/46/1396150046.db2.gz RFNZIDMCAGJVSO-WOJBJXKFSA-N 2 0 345.531 3.497 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001485894899 1396162030 /nfs/dbraw/zinc/16/20/30/1396162030.db2.gz WMJABXBRQRUFSF-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001486154010 1396180127 /nfs/dbraw/zinc/18/01/27/1396180127.db2.gz JPQNFBZSEUKYBG-IRFCIJBXSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486235237 1396185910 /nfs/dbraw/zinc/18/59/10/1396185910.db2.gz UXNMNKUSFYMKHA-KNJKRIMISA-N 2 0 337.552 3.146 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001505397493 1396285131 /nfs/dbraw/zinc/28/51/31/1396285131.db2.gz IGPILJMGWQYUQN-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[NH2+]CCCF)cc1 ZINC001493878491 1396344070 /nfs/dbraw/zinc/34/40/70/1396344070.db2.gz JTOIBSWVVNLNMQ-OALUTQOASA-N 2 0 349.494 3.011 10 0 EGAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001493962921 1396346060 /nfs/dbraw/zinc/34/60/60/1396346060.db2.gz XSDDTDHTFDHKII-HXUWFJFHSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CC1=CCCCC1 ZINC001495751564 1396555780 /nfs/dbraw/zinc/55/57/80/1396555780.db2.gz CXELRKAREUHMIZ-ROUUACIJSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001495814124 1396561287 /nfs/dbraw/zinc/56/12/87/1396561287.db2.gz OGDUEQXGGGSIDZ-PKOBYXMFSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001495963804 1396580618 /nfs/dbraw/zinc/58/06/18/1396580618.db2.gz RHUILRSVDAQBGE-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2ccc(C)cc2)C1 ZINC001496143979 1396610252 /nfs/dbraw/zinc/61/02/52/1396610252.db2.gz GOVWJOSNRSOSMM-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180359 1396620420 /nfs/dbraw/zinc/62/04/20/1396620420.db2.gz YQGPSGJNMAPIPX-PKOBYXMFSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001496414040 1396697215 /nfs/dbraw/zinc/69/72/15/1396697215.db2.gz JJXCDKJQVIWANI-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001497399667 1396754688 /nfs/dbraw/zinc/75/46/88/1396754688.db2.gz VTKVBAONCURUFY-UHFFFAOYSA-N 2 0 337.533 3.052 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCC(C)(C)C ZINC001689187663 1396964508 /nfs/dbraw/zinc/96/45/08/1396964508.db2.gz BYMBZGDGPXHRPK-DLBZAZTESA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001498457542 1397006382 /nfs/dbraw/zinc/00/63/82/1397006382.db2.gz RRTPDERAXNVZOY-YLJYHZDGSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001689302719 1397027921 /nfs/dbraw/zinc/02/79/21/1397027921.db2.gz VYGQTNNVUXPEFT-CEXWTWQISA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001499249940 1397068058 /nfs/dbraw/zinc/06/80/58/1397068058.db2.gz XCJQHFMJSIMLPM-KRWDZBQOSA-N 2 0 343.515 3.087 10 0 EGAERP CC1CC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001689354878 1403688257 /nfs/dbraw/zinc/68/82/57/1403688257.db2.gz CGCASMQYHPIKHZ-MHJFOBGBSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001689363484 1403700998 /nfs/dbraw/zinc/70/09/98/1403700998.db2.gz URZSHFDUMSOSBO-AQRBRUGDSA-N 2 0 337.552 3.290 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001689862089 1404173882 /nfs/dbraw/zinc/17/38/82/1404173882.db2.gz MHZBYFNVWPFQIS-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cccc2ccccc21 ZINC001689890635 1404187578 /nfs/dbraw/zinc/18/75/78/1404187578.db2.gz ANXIYEFFJWWTTO-UHFFFAOYSA-N 2 0 341.499 3.118 10 0 EGAERP CC(C)c1ccccc1C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108737 1404305500 /nfs/dbraw/zinc/30/55/00/1404305500.db2.gz OTUAMLWHBVGZFC-LJQANCHMSA-N 2 0 345.531 3.232 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001690122780 1404316515 /nfs/dbraw/zinc/31/65/15/1404316515.db2.gz BJVBVVMBVAVWIN-SFHVURJKSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001690131130 1404326193 /nfs/dbraw/zinc/32/61/93/1404326193.db2.gz NVSYEAHMZCLIGO-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001690215489 1404423399 /nfs/dbraw/zinc/42/33/99/1404423399.db2.gz RVLRDXGYEFXGGR-QRVBRYPASA-N 2 0 337.552 3.076 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001690457895 1404586475 /nfs/dbraw/zinc/58/64/75/1404586475.db2.gz ULQQERXRDDFYGH-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001690735468 1404702948 /nfs/dbraw/zinc/70/29/48/1404702948.db2.gz ZNSRQKIFABWCEQ-ZWKOTPCHSA-N 2 0 345.531 3.261 10 0 EGAERP CC(C)c1nccn1CC(=O)N1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001690740730 1404703650 /nfs/dbraw/zinc/70/36/50/1404703650.db2.gz DBZKSGLXISAUSL-KRWDZBQOSA-N 2 0 348.535 3.271 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001690842916 1404772012 /nfs/dbraw/zinc/77/20/12/1404772012.db2.gz HKCVVVNKFDGAOU-QGZVFWFLSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@H](CCNC(=O)[C@@H](C)Cc1c[nH]cn1)[NH2+]CC1CCCCCC1 ZINC001690867449 1404786154 /nfs/dbraw/zinc/78/61/54/1404786154.db2.gz VVKHFXQFMHZWHZ-JKSUJKDBSA-N 2 0 334.508 3.043 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001690918132 1404828412 /nfs/dbraw/zinc/82/84/12/1404828412.db2.gz UGRWTASHKLGKPE-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP CN(C[C@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001691061670 1404985494 /nfs/dbraw/zinc/98/54/94/1404985494.db2.gz INLQFOOSGXXYOT-HXUWFJFHSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001732002055 1428212914 /nfs/dbraw/zinc/21/29/14/1428212914.db2.gz ZGVBOFWILSVRBU-VOFKWLDRSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691082350 1405015841 /nfs/dbraw/zinc/01/58/41/1405015841.db2.gz IJMDWQNVMKZSPD-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691095610 1405032842 /nfs/dbraw/zinc/03/28/42/1405032842.db2.gz DHGNGWMQUPOPLS-YRXWBPOGSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691170949 1405106337 /nfs/dbraw/zinc/10/63/37/1405106337.db2.gz KLCHICJPDDNWOX-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001691237351 1405177889 /nfs/dbraw/zinc/17/78/89/1405177889.db2.gz YEFOFRVZDCXLCX-IAGOWNOFSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691277254 1405189241 /nfs/dbraw/zinc/18/92/41/1405189241.db2.gz UNIRQGPVIXWQST-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691302778 1405198042 /nfs/dbraw/zinc/19/80/42/1405198042.db2.gz ZWFWQIRYVJFZGL-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001691402301 1405238830 /nfs/dbraw/zinc/23/88/30/1405238830.db2.gz JINFZPAQXXDGKZ-UXHICEINSA-N 2 0 345.531 3.148 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001691416908 1405255764 /nfs/dbraw/zinc/25/57/64/1405255764.db2.gz QWYKKWOLHIEBPY-PMACEKPBSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC(C)(C)C ZINC001691479699 1405294742 /nfs/dbraw/zinc/29/47/42/1405294742.db2.gz CTWJBVUXNQTVGW-DLBZAZTESA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C)ccc2C)[C@@H]1CC)[NH+](C)C ZINC001691510228 1405312121 /nfs/dbraw/zinc/31/21/21/1405312121.db2.gz FYXVGBLWRBBHSV-XUVXKRRUSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001691636005 1405371930 /nfs/dbraw/zinc/37/19/30/1405371930.db2.gz BZJZHYIIXBVAKY-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CCCc1ccc(CN2CC[C@@H]2CN(C)C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001691646709 1405379513 /nfs/dbraw/zinc/37/95/13/1405379513.db2.gz RCZCSOHOAREKBQ-WOJBJXKFSA-N 2 0 345.531 3.012 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001691688893 1405423103 /nfs/dbraw/zinc/42/31/03/1405423103.db2.gz LXXYJKHWZQWUTJ-RLLQIKCJSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CCC(C)(C)C ZINC001691733332 1405455914 /nfs/dbraw/zinc/45/59/14/1405455914.db2.gz YJMRZZVAAZDEPZ-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CCCC1 ZINC001691736024 1405458599 /nfs/dbraw/zinc/45/85/99/1405458599.db2.gz GOZCZJMYOHAHCR-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001691874942 1405597538 /nfs/dbraw/zinc/59/75/38/1405597538.db2.gz RUJFPTLSJNPILW-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001692010914 1405728964 /nfs/dbraw/zinc/72/89/64/1405728964.db2.gz ZUYWAJSROPYQLJ-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692053216 1405753663 /nfs/dbraw/zinc/75/36/63/1405753663.db2.gz ZWEPPPYOYKFVTE-DSQZMVHQSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(C)C ZINC001731749052 1427841910 /nfs/dbraw/zinc/84/19/10/1427841910.db2.gz HHERUMYVMJADSH-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001692127689 1405786481 /nfs/dbraw/zinc/78/64/81/1405786481.db2.gz BDAKWJLOBNCVEV-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1C[C@H](C)CC(C)C ZINC001692188486 1405830110 /nfs/dbraw/zinc/83/01/10/1405830110.db2.gz GJVSAEYJIFDLFX-FGTMMUONSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001692260971 1405891231 /nfs/dbraw/zinc/89/12/31/1405891231.db2.gz YYDVIGYFBJTPOI-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](c1ccc(C(C)(C)C)cc1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001692330919 1405949482 /nfs/dbraw/zinc/94/94/82/1405949482.db2.gz CAMRGISDQSZICX-INIZCTEOSA-N 2 0 345.531 3.045 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC=C(C)C ZINC001698601305 1406226930 /nfs/dbraw/zinc/22/69/30/1406226930.db2.gz QKMBYJHHORGQJE-ROUUACIJSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001732023492 1428240827 /nfs/dbraw/zinc/24/08/27/1428240827.db2.gz OHBGIIOTMIMLAU-WOJBJXKFSA-N 2 0 343.515 3.251 10 0 EGAERP CC(C)(C(=O)NCC[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001732052602 1428294282 /nfs/dbraw/zinc/29/42/82/1428294282.db2.gz JQCATDIZZUWZAK-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001732197508 1428448701 /nfs/dbraw/zinc/44/87/01/1428448701.db2.gz BBYUWJISRLHIBJ-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001732202181 1428453072 /nfs/dbraw/zinc/45/30/72/1428453072.db2.gz YGLKUUJENDBOIM-SFHVURJKSA-N 2 0 345.531 3.081 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732280467 1428512611 /nfs/dbraw/zinc/51/26/11/1428512611.db2.gz XANUISRRSHDJOL-SFHVURJKSA-N 2 0 339.568 3.229 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001732303502 1428520534 /nfs/dbraw/zinc/52/05/34/1428520534.db2.gz RIMDLWPFJPZSJQ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001732311424 1428524392 /nfs/dbraw/zinc/52/43/92/1428524392.db2.gz OXTORFFBMJERIC-WGSAOQKQSA-N 2 0 345.531 3.221 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001732313327 1428525362 /nfs/dbraw/zinc/52/53/62/1428525362.db2.gz CMECHAUZGNICOL-BZSNNMDCSA-N 2 0 337.552 3.172 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001732313791 1428525872 /nfs/dbraw/zinc/52/58/72/1428525872.db2.gz YNUOYFYLZRHTPP-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CC=C(C)C)C2)CC1)[NH+](CC)CC ZINC001732329303 1428535859 /nfs/dbraw/zinc/53/58/59/1428535859.db2.gz BHKDGANGDPMBBY-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732423888 1428575278 /nfs/dbraw/zinc/57/52/78/1428575278.db2.gz APTVQNSSRGZNJT-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001732424793 1428575598 /nfs/dbraw/zinc/57/55/98/1428575598.db2.gz JTJFYYLCRADUPS-APWZRJJASA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001732427275 1428576471 /nfs/dbraw/zinc/57/64/71/1428576471.db2.gz GXKGDCHCZZAUOL-PKOBYXMFSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001732441613 1428582519 /nfs/dbraw/zinc/58/25/19/1428582519.db2.gz APWPQMALWFRSOE-AZUAARDMSA-N 2 0 345.531 3.194 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732449830 1428586491 /nfs/dbraw/zinc/58/64/91/1428586491.db2.gz UFYWWYMGVBQVRY-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001732491500 1428614160 /nfs/dbraw/zinc/61/41/60/1428614160.db2.gz QEUXZKWYCQMANA-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCC2)C1 ZINC001732516093 1428635416 /nfs/dbraw/zinc/63/54/16/1428635416.db2.gz DQZNFPKVMDCABW-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001699060936 1412492532 /nfs/dbraw/zinc/49/25/32/1412492532.db2.gz NOXXLJJZLSADAX-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001699112604 1412516014 /nfs/dbraw/zinc/51/60/14/1412516014.db2.gz MWMKZRKMBJSKTC-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccccc1F)[NH+]1CCCCCC1 ZINC001699140023 1412531121 /nfs/dbraw/zinc/53/11/21/1412531121.db2.gz DUYNNKMBHKYNQL-DLBZAZTESA-N 2 0 349.494 3.075 10 0 EGAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699219437 1412584031 /nfs/dbraw/zinc/58/40/31/1412584031.db2.gz AMYHSHLVEFPVTA-UHFFFAOYSA-N 2 0 345.512 3.062 10 0 EGAERP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001699307421 1412629980 /nfs/dbraw/zinc/62/99/80/1412629980.db2.gz GEHTUTCDHJGAPR-FRAJWHGFSA-N 2 0 337.895 3.003 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)C1 ZINC001699337209 1412648140 /nfs/dbraw/zinc/64/81/40/1412648140.db2.gz XXKRRFXVCWLQTA-RLWBPELLSA-N 2 0 347.547 3.259 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@@H](CC)[NH+](C)C)c1ccc(Cl)cc1 ZINC001699367892 1412673550 /nfs/dbraw/zinc/67/35/50/1412673550.db2.gz VVWBRHCLQSCLDC-KBRIMQKVSA-N 2 0 339.911 3.226 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699416962 1412731158 /nfs/dbraw/zinc/73/11/58/1412731158.db2.gz RXBPJMHKESAJMF-PXNSSMCTSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443028 1412773789 /nfs/dbraw/zinc/77/37/89/1412773789.db2.gz SQWUCKVVKUBOAS-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001699539492 1412913049 /nfs/dbraw/zinc/91/30/49/1412913049.db2.gz OOJGXIPFXDQUPU-IBGZPJMESA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCC(C)C ZINC001699611218 1412975502 /nfs/dbraw/zinc/97/55/02/1412975502.db2.gz WDEYZNLFPMIEBN-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001699641572 1413020530 /nfs/dbraw/zinc/02/05/30/1413020530.db2.gz FISQHWLMTYTLSF-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001699704584 1413119721 /nfs/dbraw/zinc/11/97/21/1413119721.db2.gz HWQFNSUCIGRFTN-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699744466 1413155311 /nfs/dbraw/zinc/15/53/11/1413155311.db2.gz VROZEGAUWINOAI-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001699774202 1413183146 /nfs/dbraw/zinc/18/31/46/1413183146.db2.gz NOMMXHKHZKFSPJ-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001699862130 1413297043 /nfs/dbraw/zinc/29/70/43/1413297043.db2.gz OKSIGQDDWBCVJX-JNVNVXKGSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001699866546 1413305138 /nfs/dbraw/zinc/30/51/38/1413305138.db2.gz BZSUYCYNIJVHCV-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001699877068 1413336615 /nfs/dbraw/zinc/33/66/15/1413336615.db2.gz POKXQJGAABFXEF-KWFAIERBSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001699978506 1413423212 /nfs/dbraw/zinc/42/32/12/1413423212.db2.gz DIHOMGHYJTTZBJ-BZSNNMDCSA-N 2 0 346.519 3.067 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001700103197 1413520909 /nfs/dbraw/zinc/52/09/09/1413520909.db2.gz QMJATPHPMMDFBE-FHWLQOOXSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)[NH+](C)C ZINC001700103011 1413520932 /nfs/dbraw/zinc/52/09/32/1413520932.db2.gz KRNPQIRYDMTKLL-GUDVDZBRSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2CCCCC2)CCC1)[NH+]1CCCC1 ZINC001700137770 1413556353 /nfs/dbraw/zinc/55/63/53/1413556353.db2.gz SWETWKWNJGSQEP-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001700178477 1413588230 /nfs/dbraw/zinc/58/82/30/1413588230.db2.gz ITAKWVBNBHANGX-KRWDZBQOSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CCCCCF)CC1)CC(C)(C)C ZINC001700181202 1413594516 /nfs/dbraw/zinc/59/45/16/1413594516.db2.gz QKZZROUHDBHEEN-QGZVFWFLSA-N 2 0 343.531 3.075 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001700193260 1413626458 /nfs/dbraw/zinc/62/64/58/1413626458.db2.gz UQVULUWMOVRLNP-ZWKOTPCHSA-N 2 0 349.544 3.045 10 0 EGAERP C[C@H]1CCC[C@H](CC[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001700203301 1413647274 /nfs/dbraw/zinc/64/72/74/1413647274.db2.gz KGTJZDBVFWLVGM-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001700221412 1413668299 /nfs/dbraw/zinc/66/82/99/1413668299.db2.gz QKGAPFRXKHKUOO-VOTSOKGWSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001700375256 1413902232 /nfs/dbraw/zinc/90/22/32/1413902232.db2.gz SXQOJUWBQJCLBJ-MHJFOBGBSA-N 2 0 347.547 3.236 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001700381593 1413908452 /nfs/dbraw/zinc/90/84/52/1413908452.db2.gz HSSPDNCQIMKTEA-VIQWUECVSA-N 2 0 345.531 3.191 10 0 EGAERP C[N@H+](CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1)C1CCC1 ZINC001700512419 1414161767 /nfs/dbraw/zinc/16/17/67/1414161767.db2.gz UTEVMIIYUCTAOG-UHFFFAOYSA-N 2 0 347.547 3.380 10 0 EGAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)CC[NH+]2CCCCC2)CCCCC1 ZINC001700521523 1414177362 /nfs/dbraw/zinc/17/73/62/1414177362.db2.gz OSPCLNLRMJNHSM-QGZVFWFLSA-N 2 0 341.515 3.019 10 0 EGAERP CC1(C)CC(C[N@@H+]2C[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001700575992 1414250284 /nfs/dbraw/zinc/25/02/84/1414250284.db2.gz JQHUKRGGKJVRMW-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001700619956 1414288307 /nfs/dbraw/zinc/28/83/07/1414288307.db2.gz RFQBBGRISCTQPO-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001700633936 1414301900 /nfs/dbraw/zinc/30/19/00/1414301900.db2.gz KMVSEBNMIWJBGH-ULQDDVLXSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001700684853 1414337664 /nfs/dbraw/zinc/33/76/64/1414337664.db2.gz SZQCYVJSLQZMAE-HZPDHXFCSA-N 2 0 349.494 3.246 10 0 EGAERP CCCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001700695623 1414352017 /nfs/dbraw/zinc/35/20/17/1414352017.db2.gz NMOOFCHFLGCABP-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCC(C)(C)CC1 ZINC001700776482 1414457067 /nfs/dbraw/zinc/45/70/67/1414457067.db2.gz RDOORQCEYUAQHP-UTKZUKDTSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001700851472 1414498812 /nfs/dbraw/zinc/49/88/12/1414498812.db2.gz MOSHFTCOMXCHCG-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700853979 1414501487 /nfs/dbraw/zinc/50/14/87/1414501487.db2.gz OWFSUGDHPAQSPS-XLIONFOSSA-N 2 0 345.531 3.377 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001700866543 1414518112 /nfs/dbraw/zinc/51/81/12/1414518112.db2.gz YLDJCISAUSCLOH-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]21 ZINC001700872712 1414525874 /nfs/dbraw/zinc/52/58/74/1414525874.db2.gz HWKYLLUUPKSFCN-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913429 1414566585 /nfs/dbraw/zinc/56/65/85/1414566585.db2.gz UAVCOZIAKXNMAI-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915280 1414568384 /nfs/dbraw/zinc/56/83/84/1414568384.db2.gz CLNHDKDXVDAEHJ-RBUKOAKNSA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001700941290 1414583993 /nfs/dbraw/zinc/58/39/93/1414583993.db2.gz FLKZADNRWYOKPL-AWTIPJNISA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001701001866 1414655466 /nfs/dbraw/zinc/65/54/66/1414655466.db2.gz UKXNFBNGZQMQRI-RTBURBONSA-N 2 0 345.531 3.182 10 0 EGAERP CC(C)c1ccc(C[NH+](C)CCN(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001732600306 1428848470 /nfs/dbraw/zinc/84/84/70/1428848470.db2.gz OEAPYQQPMSXOLM-UHFFFAOYSA-N 2 0 333.520 3.040 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001732618749 1428881449 /nfs/dbraw/zinc/88/14/49/1428881449.db2.gz CSTFDGHBVCEFRZ-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001732701659 1428916394 /nfs/dbraw/zinc/91/63/94/1428916394.db2.gz ZISAWUNYFVKGNK-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001732908686 1429042186 /nfs/dbraw/zinc/04/21/86/1429042186.db2.gz OCTKLEZIPHDHKU-PRPIBZDOSA-N 2 0 343.515 3.020 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC001732982773 1429109962 /nfs/dbraw/zinc/10/99/62/1429109962.db2.gz AVFFIQGSQJTSHO-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001733035865 1429160901 /nfs/dbraw/zinc/16/09/01/1429160901.db2.gz OUILUADHECNVPM-TYLQSNEBSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060267 1417176172 /nfs/dbraw/zinc/17/61/72/1417176172.db2.gz XPSWLOQVTHYQTR-PXDRNWIDSA-N 2 0 343.515 3.251 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707275339 1417281902 /nfs/dbraw/zinc/28/19/02/1417281902.db2.gz NDYMMKDWZRTKRA-HCZHMGAMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707277597 1417284108 /nfs/dbraw/zinc/28/41/08/1417284108.db2.gz APOFRFXTLAUEFF-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001707281504 1417291935 /nfs/dbraw/zinc/29/19/35/1417291935.db2.gz PLYHTXJXXDRGBN-XFHJGTJQSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001707417834 1417325819 /nfs/dbraw/zinc/32/58/19/1417325819.db2.gz ZRXDZSQMINFPIY-KRWDZBQOSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707440610 1417344958 /nfs/dbraw/zinc/34/49/58/1417344958.db2.gz DGMKGGZVPNHAOR-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC(C)(C)C ZINC001707463614 1417364766 /nfs/dbraw/zinc/36/47/66/1417364766.db2.gz AXJFKHNDOBBOEN-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001712952571 1417510381 /nfs/dbraw/zinc/51/03/81/1417510381.db2.gz PYDQPQMXBJVWLV-IRXDYDNUSA-N 2 0 349.494 3.199 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001713094509 1417642899 /nfs/dbraw/zinc/64/28/99/1417642899.db2.gz HNFNOGZGXXESOU-SFHVURJKSA-N 2 0 347.547 3.166 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713094591 1417643256 /nfs/dbraw/zinc/64/32/56/1417643256.db2.gz FLVXJWUWPTUATF-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001713116675 1417681009 /nfs/dbraw/zinc/68/10/09/1417681009.db2.gz ILXVLLULVGARRK-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001713116674 1417681016 /nfs/dbraw/zinc/68/10/16/1417681016.db2.gz ILXVLLULVGARRK-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001713123125 1417689931 /nfs/dbraw/zinc/68/99/31/1417689931.db2.gz NXWSXLGDYWPFFG-FQEVSTJZSA-N 2 0 347.547 3.092 10 0 EGAERP CC1CCC(C[NH2+][C@H](CNC(=O)CC[NH+]2CCCCC2)C2CC2)CC1 ZINC001713125555 1417694832 /nfs/dbraw/zinc/69/48/32/1417694832.db2.gz SMTVSGWSXZMCMP-AFMYVXGZSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713136237 1417716857 /nfs/dbraw/zinc/71/68/57/1417716857.db2.gz BCXDGCQJLKOENR-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001713149778 1417730151 /nfs/dbraw/zinc/73/01/51/1417730151.db2.gz MCNLKAMYBWGSOU-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccccc2)C1 ZINC001713163711 1417738386 /nfs/dbraw/zinc/73/83/86/1417738386.db2.gz WROMBRMOSYVNIE-IYARVYRRSA-N 2 0 343.515 3.076 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC2=CCCCC2)CC1 ZINC001733059788 1429205904 /nfs/dbraw/zinc/20/59/04/1429205904.db2.gz KHOFSOLUGSSUFH-KRWDZBQOSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC2(CCC2)C1 ZINC001713178938 1417751924 /nfs/dbraw/zinc/75/19/24/1417751924.db2.gz AGLOHVVENCCMQN-YQQQUEKLSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713193675 1417765250 /nfs/dbraw/zinc/76/52/50/1417765250.db2.gz FIZMXENOHYSKAM-XSYGEPLQSA-N 2 0 349.563 3.312 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001713239788 1417825548 /nfs/dbraw/zinc/82/55/48/1417825548.db2.gz XOUIPFFCVLBEKH-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713240276 1417826198 /nfs/dbraw/zinc/82/61/98/1417826198.db2.gz GHGSIYRAOQJPHC-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001733073945 1429228864 /nfs/dbraw/zinc/22/88/64/1429228864.db2.gz GYHXEOWWFAAEQG-ZWKOTPCHSA-N 2 0 335.536 3.070 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713396204 1418012749 /nfs/dbraw/zinc/01/27/49/1418012749.db2.gz XGTMWONYAYDTLD-MJRGOJFPSA-N 2 0 335.536 3.140 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001713415438 1418039026 /nfs/dbraw/zinc/03/90/26/1418039026.db2.gz CJHSRWUAQLHXML-QYZOEREBSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001713418469 1418042547 /nfs/dbraw/zinc/04/25/47/1418042547.db2.gz CWSBAGOZIXJTNR-VQIMIIECSA-N 2 0 349.494 3.073 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001713438625 1418071004 /nfs/dbraw/zinc/07/10/04/1418071004.db2.gz GQLXWOCLURKQEZ-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456651 1418108188 /nfs/dbraw/zinc/10/81/88/1418108188.db2.gz WOFXIGCXBKYYAA-MOPGFXCFSA-N 2 0 331.504 3.060 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001733084870 1429237200 /nfs/dbraw/zinc/23/72/00/1429237200.db2.gz YSQLNJVDDOUCEN-PMACEKPBSA-N 2 0 349.563 3.317 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CCC1=CCCCC1 ZINC001713496228 1418205163 /nfs/dbraw/zinc/20/51/63/1418205163.db2.gz NLGSVXGZLBLMKC-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]2CCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001713516957 1418252948 /nfs/dbraw/zinc/25/29/48/1418252948.db2.gz ZVHOTUBIFZQGNZ-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713541758 1418303900 /nfs/dbraw/zinc/30/39/00/1418303900.db2.gz NNROVLPVSHAXIA-XSXCZSQGSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001713676297 1418428245 /nfs/dbraw/zinc/42/82/45/1418428245.db2.gz BQCPMBRCARQBIS-PXNSSMCTSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713677084 1418429227 /nfs/dbraw/zinc/42/92/27/1418429227.db2.gz KOBFCGJSUPQFMA-LXXRFIIISA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001713684035 1418436634 /nfs/dbraw/zinc/43/66/34/1418436634.db2.gz GUDULXKSCNHTIN-SFHVURJKSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001733144175 1429261101 /nfs/dbraw/zinc/26/11/01/1429261101.db2.gz CZXWYVQNNRJHLI-HNNXBMFYSA-N 2 0 339.911 3.179 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713730667 1418517309 /nfs/dbraw/zinc/51/73/09/1418517309.db2.gz SBZMUDRPXGHFMC-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001713749865 1418550465 /nfs/dbraw/zinc/55/04/65/1418550465.db2.gz NLLAHZVIQNLZTI-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](Cc1ccccc1)C1CC1 ZINC001713775416 1418591696 /nfs/dbraw/zinc/59/16/96/1418591696.db2.gz INDMWROXYSQMSL-QZTJIDSGSA-N 2 0 343.515 3.030 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713926589 1418718494 /nfs/dbraw/zinc/71/84/94/1418718494.db2.gz PKUJCCIZIUSABX-GOSISDBHSA-N 2 0 343.515 3.062 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001714022450 1418805905 /nfs/dbraw/zinc/80/59/05/1418805905.db2.gz RUDYDCYMIGWSPI-FFGOWVMKSA-N 2 0 343.515 3.105 10 0 EGAERP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714048778 1418846500 /nfs/dbraw/zinc/84/65/00/1418846500.db2.gz DUYHERNIBUQHKH-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCC(C)C ZINC001714071722 1418866969 /nfs/dbraw/zinc/86/69/69/1418866969.db2.gz CDNJZYCXPRXWPF-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1CCCC1 ZINC001714079798 1418874315 /nfs/dbraw/zinc/87/43/15/1418874315.db2.gz KBCCOMAHLDHLIK-MRXNPFEDSA-N 2 0 337.533 3.098 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714104747 1418903403 /nfs/dbraw/zinc/90/34/03/1418903403.db2.gz UJZPJLYKNBEWNH-RTBURBONSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC1CCCC1 ZINC001714146579 1418951414 /nfs/dbraw/zinc/95/14/14/1418951414.db2.gz YLOGWIXSKJAIHF-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001714167174 1418976278 /nfs/dbraw/zinc/97/62/78/1418976278.db2.gz MYTMMHDONAWJKH-VLIAUNLRSA-N 2 0 342.487 3.177 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001714200301 1419004933 /nfs/dbraw/zinc/00/49/33/1419004933.db2.gz QOOMFOCNKGAAHF-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275323 1419055985 /nfs/dbraw/zinc/05/59/85/1419055985.db2.gz YQLSZTOZTFHPJP-DNVCBOLYSA-N 2 0 343.531 3.120 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001714309739 1419090059 /nfs/dbraw/zinc/09/00/59/1419090059.db2.gz QHUUIQFDGJBWKK-XLIONFOSSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](CCCC3CCC3)C2)CC1 ZINC001714365469 1419125655 /nfs/dbraw/zinc/12/56/55/1419125655.db2.gz HBUMZXJNPAAIRO-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714403753 1419145796 /nfs/dbraw/zinc/14/57/96/1419145796.db2.gz PJBYVGQXKHZPMR-DLBZAZTESA-N 2 0 342.487 3.464 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001714406237 1419147733 /nfs/dbraw/zinc/14/77/33/1419147733.db2.gz GFYDVJINJSLJIC-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001714492956 1419216660 /nfs/dbraw/zinc/21/66/60/1419216660.db2.gz BGQBFTNYQICYGR-OOFWQKGWSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1)[NH+](C)C ZINC001714510434 1419238138 /nfs/dbraw/zinc/23/81/38/1419238138.db2.gz ZQXJXUUFMDMYIX-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001714583802 1419324995 /nfs/dbraw/zinc/32/49/95/1419324995.db2.gz PHLYPZTZUVEISM-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714624960 1419394095 /nfs/dbraw/zinc/39/40/95/1419394095.db2.gz OHXGFZHYWSGYJT-MBOZVWFJSA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001714624961 1419394490 /nfs/dbraw/zinc/39/44/90/1419394490.db2.gz OHXGFZHYWSGYJT-SQGPQFPESA-N 2 0 345.531 3.087 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]CCN(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714723170 1419484089 /nfs/dbraw/zinc/48/40/89/1419484089.db2.gz LOVALHYLKKEZIS-RTBURBONSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)c1 ZINC001714798062 1419513440 /nfs/dbraw/zinc/51/34/40/1419513440.db2.gz PFHORCQYPCDVPW-RTBURBONSA-N 2 0 345.531 3.033 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001714797753 1419513595 /nfs/dbraw/zinc/51/35/95/1419513595.db2.gz OIWHBENHVJRBCK-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001714840672 1419552923 /nfs/dbraw/zinc/55/29/23/1419552923.db2.gz XICWZYDRTNVSOU-SJLPKXTDSA-N 2 0 349.494 3.056 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001733220121 1429339087 /nfs/dbraw/zinc/33/90/87/1429339087.db2.gz RZGFCNZVZNIPME-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001714953469 1419694169 /nfs/dbraw/zinc/69/41/69/1419694169.db2.gz AFVBQZYAWVMNNF-OJBOGMDESA-N 2 0 335.536 3.092 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001715013419 1419742014 /nfs/dbraw/zinc/74/20/14/1419742014.db2.gz CABQYMZDCRWJHA-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001715030864 1419763815 /nfs/dbraw/zinc/76/38/15/1419763815.db2.gz JEACYGSYZYONHS-CTWPCTMYSA-N 2 0 337.552 3.077 10 0 EGAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001715047850 1419788649 /nfs/dbraw/zinc/78/86/49/1419788649.db2.gz UANKBNRBBCOKFY-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001715102917 1419843895 /nfs/dbraw/zinc/84/38/95/1419843895.db2.gz LJZXYFPKKIVDRO-MOPGFXCFSA-N 2 0 349.563 3.317 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001715115049 1419859218 /nfs/dbraw/zinc/85/92/18/1419859218.db2.gz DKAGTXFHCMGBBZ-WIYYLYMNSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001715139841 1419887359 /nfs/dbraw/zinc/88/73/59/1419887359.db2.gz ACQIMPDZRNUMOA-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001715174881 1419911027 /nfs/dbraw/zinc/91/10/27/1419911027.db2.gz DCPDNRRVRMWCED-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cnc2cc(C(=O)N[C@H]3CC[C@H]([NH2+]CC[C@H](C)F)CC3)ccn12 ZINC001715181732 1419915484 /nfs/dbraw/zinc/91/54/84/1419915484.db2.gz FSPMRILCMFKXJG-JQFCIGGWSA-N 2 0 346.450 3.021 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001715210264 1419943211 /nfs/dbraw/zinc/94/32/11/1419943211.db2.gz LDUCDVKQPMZDON-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001715236690 1419967408 /nfs/dbraw/zinc/96/74/08/1419967408.db2.gz BMWZZFUMFACCRM-XLIONFOSSA-N 2 0 345.531 3.136 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CCCCC2)CC1 ZINC001715398434 1420096330 /nfs/dbraw/zinc/09/63/30/1420096330.db2.gz BRQZZZLMIWPTDL-HXUWFJFHSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001715410686 1420106993 /nfs/dbraw/zinc/10/69/93/1420106993.db2.gz IWRQLDPIKCVITE-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)C(C)C ZINC001715492786 1420174315 /nfs/dbraw/zinc/17/43/15/1420174315.db2.gz JZAQLYQTTHBVOM-RBUKOAKNSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001715492788 1420174392 /nfs/dbraw/zinc/17/43/92/1420174392.db2.gz JZAQLYQTTHBVOM-RTBURBONSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)C(C)C ZINC001715492782 1420174503 /nfs/dbraw/zinc/17/45/03/1420174503.db2.gz JZAQLYQTTHBVOM-MOPGFXCFSA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001715557218 1420250932 /nfs/dbraw/zinc/25/09/32/1420250932.db2.gz CFNMRVPJTGEYLO-ZBFHGGJFSA-N 2 0 337.533 3.098 10 0 EGAERP C[C@@H](CC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715656161 1420280938 /nfs/dbraw/zinc/28/09/38/1420280938.db2.gz OPXXUTZRNSBGKZ-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP CCN(CC[NH2+]CC[C@H]1CCC[C@H](C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001715737844 1420319233 /nfs/dbraw/zinc/31/92/33/1420319233.db2.gz JKYSXGVCGOYEOO-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001715778576 1420340519 /nfs/dbraw/zinc/34/05/19/1420340519.db2.gz UUEQQKLRMKJIPJ-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1=CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715828375 1420359116 /nfs/dbraw/zinc/35/91/16/1420359116.db2.gz RZQHXRYDLKJLKM-ROUKRRSUSA-N 2 0 345.531 3.156 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001715923222 1420399626 /nfs/dbraw/zinc/39/96/26/1420399626.db2.gz QXDYRTVRYWYGSD-UHFFFAOYSA-N 2 0 345.531 3.068 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715942653 1420412959 /nfs/dbraw/zinc/41/29/59/1420412959.db2.gz BFINWJJPSUBNEK-IAGOWNOFSA-N 2 0 331.504 3.025 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715983472 1420442363 /nfs/dbraw/zinc/44/23/63/1420442363.db2.gz OUERCHFZFVZJPK-INIZCTEOSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716009275 1420462757 /nfs/dbraw/zinc/46/27/57/1420462757.db2.gz OEYROUPXLHFWIO-ADKAHSJRSA-N 2 0 345.531 3.282 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001716025859 1420482879 /nfs/dbraw/zinc/48/28/79/1420482879.db2.gz PQYRAXSNJSGZFM-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716028049 1420485503 /nfs/dbraw/zinc/48/55/03/1420485503.db2.gz IISYOXHIMHZYPO-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001716029192 1420487653 /nfs/dbraw/zinc/48/76/53/1420487653.db2.gz GBKHPYCPDINLDS-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC2CC2)cc1 ZINC001716071063 1420527524 /nfs/dbraw/zinc/52/75/24/1420527524.db2.gz JJZGXULYWNRCGA-WOJBJXKFSA-N 2 0 343.515 3.036 10 0 EGAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716254923 1420584961 /nfs/dbraw/zinc/58/49/61/1420584961.db2.gz BRNTWRFHZZTRQL-AXJDHONKSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001716452701 1420668201 /nfs/dbraw/zinc/66/82/01/1420668201.db2.gz NFYSPVBYYOYALV-ZWKOTPCHSA-N 2 0 347.547 3.437 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001733269043 1429429809 /nfs/dbraw/zinc/42/98/09/1429429809.db2.gz LFRYIMHNJUXUSY-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733268753 1429430009 /nfs/dbraw/zinc/43/00/09/1429430009.db2.gz QKIDLTHJNNQKQI-XVLXNVKGSA-N 2 0 335.536 3.163 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001716566923 1420762933 /nfs/dbraw/zinc/76/29/33/1420762933.db2.gz BZAAHXHMLKYSGK-APWZRJJASA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H](C(=O)N(C)CCC[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001716570617 1420764006 /nfs/dbraw/zinc/76/40/06/1420764006.db2.gz QHYKGMKDRXNNRR-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)c2cnc[nH]2)c1 ZINC001716579526 1420766402 /nfs/dbraw/zinc/76/64/02/1420766402.db2.gz UNJIZHXPHBPIDH-INIZCTEOSA-N 2 0 342.487 3.195 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)c1 ZINC001733274379 1429437366 /nfs/dbraw/zinc/43/73/66/1429437366.db2.gz GRDGGGZQFQEAAJ-SXLOBPIMSA-N 2 0 343.515 3.073 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCC1 ZINC001716632228 1420791626 /nfs/dbraw/zinc/79/16/26/1420791626.db2.gz WZJAMAUNGTXDDL-RTBURBONSA-N 2 0 349.563 3.027 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001733272443 1429435217 /nfs/dbraw/zinc/43/52/17/1429435217.db2.gz KDKNWTMGWRNHRE-UMQXSMKFSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)c1ccccc1 ZINC001716691598 1420844140 /nfs/dbraw/zinc/84/41/40/1420844140.db2.gz ONYBPTGOLWBSMN-YTQUADARSA-N 2 0 343.515 3.106 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001716704651 1420859048 /nfs/dbraw/zinc/85/90/48/1420859048.db2.gz YOBTVHBUFXJFMN-ICSRJNTNSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716707813 1420861860 /nfs/dbraw/zinc/86/18/60/1420861860.db2.gz FGGFWPUQNDUZCO-XIBWBMNSSA-N 2 0 349.563 3.265 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001716711059 1420863677 /nfs/dbraw/zinc/86/36/77/1420863677.db2.gz QJABUVSMSAFWQR-HSALFYBXSA-N 2 0 349.563 3.361 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1CCCCCC1)CC2 ZINC001716726655 1420885478 /nfs/dbraw/zinc/88/54/78/1420885478.db2.gz RPDIHXHFLBVVNL-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC(CC)C[NH+]1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001716745292 1420899666 /nfs/dbraw/zinc/89/96/66/1420899666.db2.gz HZLREKRNNGINQM-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCCC2CCC2)C2CCCC2)CC[N@@H+]1C ZINC001716817794 1420944169 /nfs/dbraw/zinc/94/41/69/1420944169.db2.gz PEYGTAFERRZKOC-AHRSYUTCSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001716849732 1420979826 /nfs/dbraw/zinc/97/98/26/1420979826.db2.gz CLZBFWLLNUNXJU-FPOVZHCZSA-N 2 0 345.531 3.450 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716899729 1421029871 /nfs/dbraw/zinc/02/98/71/1421029871.db2.gz QFVPASBKUKYYHP-RXVVDRJESA-N 2 0 345.531 3.226 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001716952432 1421048307 /nfs/dbraw/zinc/04/83/07/1421048307.db2.gz DCFSQHFWKPSNGK-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001716952433 1421048481 /nfs/dbraw/zinc/04/84/81/1421048481.db2.gz DCFSQHFWKPSNGK-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001716973492 1421058266 /nfs/dbraw/zinc/05/82/66/1421058266.db2.gz NOJSFOHQJIITPE-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001716984755 1421061499 /nfs/dbraw/zinc/06/14/99/1421061499.db2.gz OCQWMARACWMSHL-RBUKOAKNSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111118 1421115044 /nfs/dbraw/zinc/11/50/44/1421115044.db2.gz MADZHKXTVQOOOG-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001717113832 1421117606 /nfs/dbraw/zinc/11/76/06/1421117606.db2.gz PVBDTNBBIWWDKU-UHFFFAOYSA-N 2 0 343.515 3.021 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CC1CCC(C)CC1)CC2 ZINC001717130398 1421131487 /nfs/dbraw/zinc/13/14/87/1421131487.db2.gz SKSFGWZMKNQLFQ-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001717150222 1421141106 /nfs/dbraw/zinc/14/11/06/1421141106.db2.gz SKUJMZDRUHYKJN-IBGZPJMESA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC001717161806 1421151826 /nfs/dbraw/zinc/15/18/26/1421151826.db2.gz CEWVIBBGODJXET-UHFFFAOYSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717197812 1421164307 /nfs/dbraw/zinc/16/43/07/1421164307.db2.gz GKTWOMQTXVLVRO-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CCC[N@H+](C)Cc1cccc2ccccc21)C(=O)CC[NH+](C)C ZINC001717211441 1421185535 /nfs/dbraw/zinc/18/55/35/1421185535.db2.gz PCQZQUMVVGQJBX-UHFFFAOYSA-N 2 0 341.499 3.072 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001717249083 1421220201 /nfs/dbraw/zinc/22/02/01/1421220201.db2.gz NYAHWXRGUBXWAZ-HXUWFJFHSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001717290058 1421237040 /nfs/dbraw/zinc/23/70/40/1421237040.db2.gz FWTBHXQZQACLIO-XLIONFOSSA-N 2 0 345.531 3.088 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733289599 1429468246 /nfs/dbraw/zinc/46/82/46/1429468246.db2.gz SNHBRQZYXWWJJU-KTBYTZPXSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001717348570 1421287445 /nfs/dbraw/zinc/28/74/45/1421287445.db2.gz MFVILWZDFYSLFJ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001717412321 1421344156 /nfs/dbraw/zinc/34/41/56/1421344156.db2.gz DYGKQBZIDOKRLW-HZPDHXFCSA-N 2 0 343.515 3.031 10 0 EGAERP Cc1c(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001717414327 1421345478 /nfs/dbraw/zinc/34/54/78/1421345478.db2.gz BUOJOMFGNVJYAD-LSDHHAIUSA-N 2 0 342.487 3.319 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001717458893 1421388230 /nfs/dbraw/zinc/38/82/30/1421388230.db2.gz IURPQMWQZOUFEC-ROUUACIJSA-N 2 0 337.552 3.147 10 0 EGAERP Cc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001717490024 1421428379 /nfs/dbraw/zinc/42/83/79/1421428379.db2.gz DMAQKIOSDKBPNO-UYAOXDASSA-N 2 0 345.531 3.194 10 0 EGAERP CCCC[C@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001717532228 1421468477 /nfs/dbraw/zinc/46/84/77/1421468477.db2.gz BLNKJRBCPIPBDF-PKOBYXMFSA-N 2 0 343.515 3.108 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001717628632 1421537662 /nfs/dbraw/zinc/53/76/62/1421537662.db2.gz CFRPFJWAVITCEG-MOPGFXCFSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC1CCC(C)CC1)C2 ZINC001717630187 1421539716 /nfs/dbraw/zinc/53/97/16/1421539716.db2.gz HTJHGTWINJULQK-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001717756436 1421619606 /nfs/dbraw/zinc/61/96/06/1421619606.db2.gz FLWMEBZVDZMDBV-GJZGRUSLSA-N 2 0 339.911 3.178 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001717854093 1421666018 /nfs/dbraw/zinc/66/60/18/1421666018.db2.gz PKHBFLBIFNCJIG-OIIZEAPSSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881863 1421685997 /nfs/dbraw/zinc/68/59/97/1421685997.db2.gz VXGFBADSRATXPJ-MOPGFXCFSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCCc2ccccc21)C(C)(C)C ZINC001717966926 1421738961 /nfs/dbraw/zinc/73/89/61/1421738961.db2.gz UBGSICDPGDTYOH-RBUKOAKNSA-N 2 0 345.531 3.136 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001717996940 1421764954 /nfs/dbraw/zinc/76/49/54/1421764954.db2.gz YXLMFOQCCRDAOV-MHJFOBGBSA-N 2 0 345.531 3.194 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001733327318 1429512618 /nfs/dbraw/zinc/51/26/18/1429512618.db2.gz NCKCDMBBRYPCNS-IRXDYDNUSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@H+](CC(=O)N[C@@]1(C)CC[NH+](CC2=CCCCC2)C1)CC(C)(C)C ZINC001733410176 1429609559 /nfs/dbraw/zinc/60/95/59/1429609559.db2.gz DRMURXYCUMPVFQ-FQEVSTJZSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001733418092 1429623922 /nfs/dbraw/zinc/62/39/22/1429623922.db2.gz UBGDTIUQQUWMLK-AZUAARDMSA-N 2 0 331.504 3.059 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733439007 1429646826 /nfs/dbraw/zinc/64/68/26/1429646826.db2.gz WXSWCWYAOSWEAL-FPOVZHCZSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001733440682 1429648005 /nfs/dbraw/zinc/64/80/05/1429648005.db2.gz JGAPJYWLQVUSCM-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001733440869 1429648417 /nfs/dbraw/zinc/64/84/17/1429648417.db2.gz LAAREZQMPMAGBX-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001733440868 1429648645 /nfs/dbraw/zinc/64/86/45/1429648645.db2.gz LAAREZQMPMAGBX-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001733453582 1429667822 /nfs/dbraw/zinc/66/78/22/1429667822.db2.gz MJEQWNRYGSKFBB-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC(C)C)C1 ZINC001733457699 1429678147 /nfs/dbraw/zinc/67/81/47/1429678147.db2.gz AOQLUQOKIOWCBY-ICSRJNTNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001733459039 1429680385 /nfs/dbraw/zinc/68/03/85/1429680385.db2.gz LAEDTEMYPMXKRF-CXFSXTNSSA-N 2 0 337.552 3.147 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001723062500 1424295052 /nfs/dbraw/zinc/29/50/52/1424295052.db2.gz BVMOTFAVLXQYJJ-LJQANCHMSA-N 2 0 343.515 3.204 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001723202344 1424319932 /nfs/dbraw/zinc/31/99/32/1424319932.db2.gz CEPAZSDJPGTJNY-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001723203490 1424320175 /nfs/dbraw/zinc/32/01/75/1424320175.db2.gz KBTNGMWXFMCQNU-GOSISDBHSA-N 2 0 331.504 3.062 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001723324768 1424351535 /nfs/dbraw/zinc/35/15/35/1424351535.db2.gz SLEXWKWOQJEYLC-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001723544209 1424458212 /nfs/dbraw/zinc/45/82/12/1424458212.db2.gz DBKOSJLASQSYNK-KRWDZBQOSA-N 2 0 343.515 3.169 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001723568491 1424468056 /nfs/dbraw/zinc/46/80/56/1424468056.db2.gz ITWYPQXVMRPTQY-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP CCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723606324 1424485569 /nfs/dbraw/zinc/48/55/69/1424485569.db2.gz DVPFGVJTFAYALJ-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001723727477 1424551507 /nfs/dbraw/zinc/55/15/07/1424551507.db2.gz SRYAHARHWDKAPS-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733527208 1429734632 /nfs/dbraw/zinc/73/46/32/1429734632.db2.gz JESXDRHPGPKGQQ-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001723744229 1424556517 /nfs/dbraw/zinc/55/65/17/1424556517.db2.gz NGMLZKYCMYUOTG-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723854406 1424585465 /nfs/dbraw/zinc/58/54/65/1424585465.db2.gz AWDVEQLGWHDKGL-WMZOPIPTSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C[C@H]1C ZINC001723873838 1424593776 /nfs/dbraw/zinc/59/37/76/1424593776.db2.gz JGXIAIUTMOCXMC-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001723940782 1424609114 /nfs/dbraw/zinc/60/91/14/1424609114.db2.gz YNNGQGXVHJLTLB-XLIONFOSSA-N 2 0 345.531 3.031 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724173236 1424707816 /nfs/dbraw/zinc/70/78/16/1424707816.db2.gz KDKPHQPXVWCHDI-GDCKJWNLSA-N 2 0 337.552 3.291 10 0 EGAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2=CCCCC2)C1)[NH+](C)C ZINC001724325286 1424814056 /nfs/dbraw/zinc/81/40/56/1424814056.db2.gz XDKAXRYWGGVOMO-UYAOXDASSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001724712010 1425067128 /nfs/dbraw/zinc/06/71/28/1425067128.db2.gz PWIDRWLVWUKDEX-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001724742539 1425109744 /nfs/dbraw/zinc/10/97/44/1425109744.db2.gz AYQGVKIUHXYRST-PKOBYXMFSA-N 2 0 345.531 3.341 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001724753129 1425123887 /nfs/dbraw/zinc/12/38/87/1425123887.db2.gz YFVKBZXTZNEWDM-RTBURBONSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001724760330 1425131252 /nfs/dbraw/zinc/13/12/52/1425131252.db2.gz WKNJGSZKBUILGV-GOSISDBHSA-N 2 0 343.515 3.012 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001724839279 1425188332 /nfs/dbraw/zinc/18/83/32/1425188332.db2.gz AKZUCUZOMMQMFZ-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001724839985 1425188683 /nfs/dbraw/zinc/18/86/83/1425188683.db2.gz VPSSODOFAAWNLY-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724886623 1425270571 /nfs/dbraw/zinc/27/05/71/1425270571.db2.gz IRHJUKLULYAHOZ-UHFFFAOYSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CCC1CCCC1)C2 ZINC001724923435 1425311980 /nfs/dbraw/zinc/31/19/80/1425311980.db2.gz LRJTWDNABNDHOY-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001724961374 1425350710 /nfs/dbraw/zinc/35/07/10/1425350710.db2.gz OIYYOUVVIYVNAJ-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001724964527 1425354926 /nfs/dbraw/zinc/35/49/26/1425354926.db2.gz BGNCFHFTPAXFRU-FIIXJZFESA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001725047965 1425478592 /nfs/dbraw/zinc/47/85/92/1425478592.db2.gz NNGVHFXSKGEJTP-FQEVSTJZSA-N 2 0 345.531 3.185 10 0 EGAERP C[NH+]1CCC(CC(=O)NC2CC(C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001725070853 1425511918 /nfs/dbraw/zinc/51/19/18/1425511918.db2.gz OEPWOEBITYJFKB-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001725131904 1425602017 /nfs/dbraw/zinc/60/20/17/1425602017.db2.gz UYHLTSPNENBAII-XBMUEBEBSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725172344 1425682467 /nfs/dbraw/zinc/68/24/67/1425682467.db2.gz LBJNFERCKPTTNT-ROUUACIJSA-N 2 0 345.531 3.367 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC001725238933 1425835426 /nfs/dbraw/zinc/83/54/26/1425835426.db2.gz INWAECADSCWUHN-FQEVSTJZSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269483 1425905293 /nfs/dbraw/zinc/90/52/93/1425905293.db2.gz SDDGQVBOJJSRKH-FXAWDEMLSA-N 2 0 347.547 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001725339367 1425988240 /nfs/dbraw/zinc/98/82/40/1425988240.db2.gz SVDPYUXCAJENLR-VOTSOKGWSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725358740 1426008718 /nfs/dbraw/zinc/00/87/18/1426008718.db2.gz DBYWRGDNSZONQZ-ZHALLVOQSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001725361767 1426012522 /nfs/dbraw/zinc/01/25/22/1426012522.db2.gz XXGLBFVZIYVCBC-RDGPPVDQSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001725363354 1426012819 /nfs/dbraw/zinc/01/28/19/1426012819.db2.gz FZESJEYUHBHFJR-UFYCRDLUSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001725389344 1426036222 /nfs/dbraw/zinc/03/62/22/1426036222.db2.gz MEWMSMJNSOJAHQ-NZSAHSFTSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001725425217 1426084535 /nfs/dbraw/zinc/08/45/35/1426084535.db2.gz KDQATHXENRHLDH-MOPGFXCFSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001725491248 1426168751 /nfs/dbraw/zinc/16/87/51/1426168751.db2.gz UFUQOFHUNQLIJY-PXNSSMCTSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccsc1 ZINC001725522067 1426213007 /nfs/dbraw/zinc/21/30/07/1426213007.db2.gz VFXPCCJRFARSHL-HNNXBMFYSA-N 2 0 345.512 3.060 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCC2CCCC2)CC3)CC1 ZINC001725606892 1426264043 /nfs/dbraw/zinc/26/40/43/1426264043.db2.gz AOWWOBHPAAYRKA-WIYYLYMNSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001725623009 1426288682 /nfs/dbraw/zinc/28/86/82/1426288682.db2.gz LHAGFAGNENTSMM-GBESFXJTSA-N 2 0 349.563 3.147 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625397 1426292420 /nfs/dbraw/zinc/29/24/20/1426292420.db2.gz COEUINOJJGTWJU-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CC1 ZINC001725680772 1426368573 /nfs/dbraw/zinc/36/85/73/1426368573.db2.gz XTHMBOYOZDBAQX-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001725684143 1426371933 /nfs/dbraw/zinc/37/19/33/1426371933.db2.gz YGDUJNIXVADTNU-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001725774145 1426457679 /nfs/dbraw/zinc/45/76/79/1426457679.db2.gz DPARAPGNGAAYTF-MSOLQXFVSA-N 2 0 347.547 3.045 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001725790289 1426475672 /nfs/dbraw/zinc/47/56/72/1426475672.db2.gz SITLAYVHFFKIIR-UHFFFAOYSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001731240863 1427196970 /nfs/dbraw/zinc/19/69/70/1427196970.db2.gz UCCRFWLSPXOXCU-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@@H](C)c2ccccc2F)CC[N@@H+]1C ZINC001731241280 1427197339 /nfs/dbraw/zinc/19/73/39/1427197339.db2.gz HJQYRMFTSWEGSH-VDZJLULYSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)CCCNC(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001731283090 1427226741 /nfs/dbraw/zinc/22/67/41/1427226741.db2.gz OHNAEFIZLFXOAZ-FXAWDEMLSA-N 2 0 345.531 3.261 10 0 EGAERP CCc1ccc(C[N@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001731285455 1427229116 /nfs/dbraw/zinc/22/91/16/1427229116.db2.gz XUICFWVTQNCGGC-QZTJIDSGSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001731374607 1427307335 /nfs/dbraw/zinc/30/73/35/1427307335.db2.gz MNJIZNWPXPFLMF-UXHICEINSA-N 2 0 345.531 3.114 10 0 EGAERP O=C(NC[C@H]([NH2+]CCC1CC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731403376 1427364701 /nfs/dbraw/zinc/36/47/01/1427364701.db2.gz VEKNVGWQSNXNQR-PMACEKPBSA-N 2 0 347.547 3.068 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001731423705 1427403363 /nfs/dbraw/zinc/40/33/63/1427403363.db2.gz AGCXGILRRBWJLQ-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001731435985 1427417593 /nfs/dbraw/zinc/41/75/93/1427417593.db2.gz NAJLUUBLNPUJGD-ZBWOGFRMSA-N 2 0 343.515 3.226 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)[NH+](CC)CC ZINC001731485997 1427460465 /nfs/dbraw/zinc/46/04/65/1427460465.db2.gz CJCUVUVQEFSPIW-DUBPFDJUSA-N 2 0 337.552 3.170 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001731529554 1427520266 /nfs/dbraw/zinc/52/02/66/1427520266.db2.gz FROMTEOPWSUGBJ-CFQKCQFKSA-N 2 0 347.547 3.047 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001731538827 1427541194 /nfs/dbraw/zinc/54/11/94/1427541194.db2.gz QGLOQFFLHBNRLE-VZSQWMKGSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731559831 1427592943 /nfs/dbraw/zinc/59/29/43/1427592943.db2.gz PPHJZQKQWLAPRO-IAGOWNOFSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](F)C[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001731573334 1427616225 /nfs/dbraw/zinc/61/62/25/1427616225.db2.gz IHRJNLTVGVGHSG-AOCRQIFASA-N 2 0 341.515 3.018 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CCCCCC1 ZINC001731599216 1427642729 /nfs/dbraw/zinc/64/27/29/1427642729.db2.gz CCMUVZDAYCLRSN-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001731638663 1427695691 /nfs/dbraw/zinc/69/56/91/1427695691.db2.gz ATVDSLLEMHJJHR-FUHWJXTLSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)c1ccc2c(c1)CCC2 ZINC001731815455 1428009105 /nfs/dbraw/zinc/00/91/05/1428009105.db2.gz CPRYWROHDASVDC-QGZVFWFLSA-N 2 0 345.531 3.015 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CCCC(C)(C)C)C1CC1 ZINC001731885703 1428160881 /nfs/dbraw/zinc/16/08/81/1428160881.db2.gz VWERYLCJALAWBT-IRXDYDNUSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733651488 1429844535 /nfs/dbraw/zinc/84/45/35/1429844535.db2.gz ILDQPBXLTDLPPT-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001733683603 1429898411 /nfs/dbraw/zinc/89/84/11/1429898411.db2.gz FFTBIZGNPKUIGQ-SJORKVTESA-N 2 0 343.515 3.095 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCCC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001733778254 1430032551 /nfs/dbraw/zinc/03/25/51/1430032551.db2.gz WDFCKLOUHLNQRW-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733808871 1430082602 /nfs/dbraw/zinc/08/26/02/1430082602.db2.gz ATQKDOJZXMSIOS-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001733813861 1430094810 /nfs/dbraw/zinc/09/48/10/1430094810.db2.gz RNZMZMRJAUHUOH-NQIIRXRSSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733937136 1437751400 /nfs/dbraw/zinc/75/14/00/1437751400.db2.gz GZECNFTXFNFRIX-PXDRNWIDSA-N 2 0 349.563 3.386 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001734000815 1437793846 /nfs/dbraw/zinc/79/38/46/1437793846.db2.gz GWIXFPGAGYLAOQ-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001734038326 1437826443 /nfs/dbraw/zinc/82/64/43/1437826443.db2.gz AQHQYTLPLPEHLL-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734042721 1437830855 /nfs/dbraw/zinc/83/08/55/1437830855.db2.gz BQTPWWGRYZCJKP-IPLHWJFFSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCCC1 ZINC001734103437 1437888391 /nfs/dbraw/zinc/88/83/91/1437888391.db2.gz JTTXGSYAYPJLNJ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001734121338 1437901577 /nfs/dbraw/zinc/90/15/77/1437901577.db2.gz UEUZBVYVPVWKER-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001734187807 1437931155 /nfs/dbraw/zinc/93/11/55/1437931155.db2.gz HPMSPIUNPPFDTC-GPXQEHKYSA-N 2 0 347.547 3.044 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001734192566 1437933728 /nfs/dbraw/zinc/93/37/28/1437933728.db2.gz GNGMZWYLGARYBR-SLFFLAALSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001734256511 1437972144 /nfs/dbraw/zinc/97/21/44/1437972144.db2.gz KXZUSOFFOLTKCH-RBUKOAKNSA-N 2 0 345.531 3.354 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001734260965 1437977973 /nfs/dbraw/zinc/97/79/73/1437977973.db2.gz MCQAGJKGFQCIBN-ROUUACIJSA-N 2 0 343.515 3.026 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001734285205 1438013515 /nfs/dbraw/zinc/01/35/15/1438013515.db2.gz QQVZTVXJMRFDTF-IBGZPJMESA-N 2 0 343.515 3.251 10 0 EGAERP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001734299159 1438030747 /nfs/dbraw/zinc/03/07/47/1438030747.db2.gz ANLOPLMOEIGCHH-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001734346029 1438065164 /nfs/dbraw/zinc/06/51/64/1438065164.db2.gz IRUPLCZWLIEDFO-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCc1cccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001734426638 1438091960 /nfs/dbraw/zinc/09/19/60/1438091960.db2.gz MBNNLBOGZGQYCF-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494735 1438131937 /nfs/dbraw/zinc/13/19/37/1438131937.db2.gz BXYPTLZICAXDFY-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001734565278 1438161106 /nfs/dbraw/zinc/16/11/06/1438161106.db2.gz WMSFWYPMVQICAO-QGZVFWFLSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001734575560 1438168915 /nfs/dbraw/zinc/16/89/15/1438168915.db2.gz VJDMNRJLMNFZTE-LKGOPFMKSA-N 2 0 337.552 3.195 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001734579409 1438171983 /nfs/dbraw/zinc/17/19/83/1438171983.db2.gz UNSAIXVOMFIDKI-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001734595163 1438180586 /nfs/dbraw/zinc/18/05/86/1438180586.db2.gz VFJXQECWECNJQP-ZKVWIORHSA-N 2 0 335.536 3.185 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001734603693 1438184404 /nfs/dbraw/zinc/18/44/04/1438184404.db2.gz BQQGGLHVEMDBMK-ACBHZAAOSA-N 2 0 337.552 3.122 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001734628651 1438192486 /nfs/dbraw/zinc/19/24/86/1438192486.db2.gz QUDLFFUJYKHTIQ-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001750945980 1440118413 /nfs/dbraw/zinc/11/84/13/1440118413.db2.gz XQJJLXHMPIUEMW-XSAZBNQGSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(CCC[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000181861379 234356777 /nfs/dbraw/zinc/35/67/77/234356777.db2.gz WUSVQRNWMZCOIE-NRFANRHFSA-N 2 0 329.532 3.030 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccnc1 ZINC000075603030 216644937 /nfs/dbraw/zinc/64/49/37/216644937.db2.gz ORDIVRLXEFGLLF-DYESRHJHSA-N 2 0 339.483 3.178 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]C2CCN(c3nccs3)CC2)ccc1F ZINC000378470130 169125910 /nfs/dbraw/zinc/12/59/10/169125910.db2.gz DWEBOBZQWDHGAH-UHFFFAOYSA-N 2 0 348.491 3.102 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3cnccn3)cc2)[C@H](C)C1 ZINC000093639612 218236452 /nfs/dbraw/zinc/23/64/52/218236452.db2.gz QOSFQHSWNOEMJB-APWZRJJASA-N 2 0 340.471 3.431 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000268807135 252260273 /nfs/dbraw/zinc/26/02/73/252260273.db2.gz ADJRAMVLHGPNQB-HNNXBMFYSA-N 2 0 345.487 3.019 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000158788083 533378529 /nfs/dbraw/zinc/37/85/29/533378529.db2.gz NYRKENIRCNVTCP-JKSUJKDBSA-N 2 0 347.528 3.490 10 0 EGAERP COc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1OC(F)F ZINC000131812915 533658880 /nfs/dbraw/zinc/65/88/80/533658880.db2.gz BMEXLUIKCGTSHP-GOOCMWNKSA-N 2 0 340.414 3.402 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]([C@H]4CCOC4)C3)CC2)cc[nH+]1 ZINC000341392762 285441755 /nfs/dbraw/zinc/44/17/55/285441755.db2.gz DZGDXCQRXYYTNK-SLFFLAALSA-N 2 0 343.515 3.483 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246525159 141013967 /nfs/dbraw/zinc/01/39/67/141013967.db2.gz UYQXTURJJIBELC-KBXCAEBGSA-N 2 0 331.435 3.343 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CCC[NH+](CC)C2)cc1 ZINC000338048692 141081242 /nfs/dbraw/zinc/08/12/42/141081242.db2.gz FNGBIEPDBQPNKH-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP Cc1nnc([C@@H](C)N2CCC[C@@H](c3ncc4n3CCCC4)C2)s1 ZINC000338361048 141107475 /nfs/dbraw/zinc/10/74/75/141107475.db2.gz LJPKZKZOCSOKDR-TZMCWYRMSA-N 2 0 331.489 3.320 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](Cc2ccc(C(=O)OC)cn2)CC1 ZINC000351756309 144302292 /nfs/dbraw/zinc/30/22/92/144302292.db2.gz KYKBAJCTUNVFIL-UHFFFAOYSA-N 2 0 347.503 3.202 10 0 EGAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000337412100 154340139 /nfs/dbraw/zinc/34/01/39/154340139.db2.gz XIXFMCQBOTVPEJ-GIVPXCGWSA-N 2 0 328.500 3.312 10 0 EGAERP O[C@@H]1c2ccccc2C[C@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249033748 163051828 /nfs/dbraw/zinc/05/18/28/163051828.db2.gz RTRZOXDOWSLEOI-DKQPQCJKSA-N 2 0 348.490 3.430 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc(F)c(F)c1F ZINC000344324688 164156894 /nfs/dbraw/zinc/15/68/94/164156894.db2.gz HBACHJBDQUNHNY-UHFFFAOYSA-N 2 0 346.356 3.325 10 0 EGAERP c1cn(-c2csc(C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)c2)cn1 ZINC000346191338 164359522 /nfs/dbraw/zinc/35/95/22/164359522.db2.gz BBZASYFRDOVQAN-INIZCTEOSA-N 2 0 330.501 3.384 10 0 EGAERP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350918024 165082072 /nfs/dbraw/zinc/08/20/72/165082072.db2.gz KYDYAXVLBDUYDM-GOSISDBHSA-N 2 0 345.531 3.086 10 0 EGAERP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@@H]1CCC[NH+](C2CCC2)C1 ZINC000355939412 166354050 /nfs/dbraw/zinc/35/40/50/166354050.db2.gz XYYABZWDCLHAQS-RCCFBDPRSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)N1CCC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000358960080 167019953 /nfs/dbraw/zinc/01/99/53/167019953.db2.gz AVCVUXZSNZSAAP-FQEVSTJZSA-N 2 0 343.515 3.162 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000359484422 167168738 /nfs/dbraw/zinc/16/87/38/167168738.db2.gz PHSZXSUOMUAUCD-AWEZNQCLSA-N 2 0 329.419 3.447 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000360692238 167390170 /nfs/dbraw/zinc/39/01/70/167390170.db2.gz ZAICKUSRDRPZHT-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP Fc1cccc(Cl)c1CCC[NH2+]CCCC[NH+]1CCOCC1 ZINC000278921218 275287831 /nfs/dbraw/zinc/28/78/31/275287831.db2.gz UVBCIZHMXDHVMM-UHFFFAOYSA-N 2 0 328.859 3.114 10 0 EGAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000284156714 275778446 /nfs/dbraw/zinc/77/84/46/275778446.db2.gz XPNKOJSYVQLCLE-QGZVFWFLSA-N 2 0 340.471 3.063 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2c(F)cccc2F)CC1 ZINC000247374199 278395699 /nfs/dbraw/zinc/39/56/99/278395699.db2.gz VAVINKLRMGCANR-ZIAGYGMSSA-N 2 0 326.431 3.050 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC000123625624 307541343 /nfs/dbraw/zinc/54/13/43/307541343.db2.gz MXKRVMDUSULFGQ-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@H]3CCCSC3)CC2)c1 ZINC000131092598 307638429 /nfs/dbraw/zinc/63/84/29/307638429.db2.gz XZHLHYZTNLHPQA-IBGZPJMESA-N 2 0 347.572 3.382 10 0 EGAERP COc1cc(NC(C)=O)ccc1[C@@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414194500 309066069 /nfs/dbraw/zinc/06/60/69/309066069.db2.gz VOAVPLMSZPUTIG-CYBMUJFWSA-N 2 0 338.411 3.152 10 0 EGAERP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199445 309066561 /nfs/dbraw/zinc/06/65/61/309066561.db2.gz XBABVFRFQMFNPA-SJORKVTESA-N 2 0 326.488 3.470 10 0 EGAERP CC(C)[C@@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414305060 309071853 /nfs/dbraw/zinc/07/18/53/309071853.db2.gz NAIDRWITZCIOBD-PMACEKPBSA-N 2 0 330.516 3.428 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248413351 308002243 /nfs/dbraw/zinc/00/22/43/308002243.db2.gz GBELUUYWXJZPFY-CVEARBPZSA-N 2 0 341.499 3.355 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000413213854 309021809 /nfs/dbraw/zinc/02/18/09/309021809.db2.gz KIWRNUUUDYGUCN-NZSAHSFTSA-N 2 0 331.504 3.011 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942811 309110531 /nfs/dbraw/zinc/11/05/31/309110531.db2.gz MZFATOORQOCERY-FZKQIMNGSA-N 2 0 339.886 3.031 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414948470 309110654 /nfs/dbraw/zinc/11/06/54/309110654.db2.gz YLQBMRVHARSGNX-OXQOHEQNSA-N 2 0 347.466 3.022 10 0 EGAERP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415032860 309115508 /nfs/dbraw/zinc/11/55/08/309115508.db2.gz BCIZJJQSQZWJPV-ZWKOTPCHSA-N 2 0 332.488 3.448 10 0 EGAERP FC(F)(F)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415047013 309116266 /nfs/dbraw/zinc/11/62/66/309116266.db2.gz DKDUOHSLVNPVQL-UHFFFAOYSA-N 2 0 347.450 3.073 10 0 EGAERP CC(C)[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415048186 309116464 /nfs/dbraw/zinc/11/64/64/309116464.db2.gz FVKYJPMPJJKNDY-CBNMVNINSA-N 2 0 329.532 3.232 10 0 EGAERP c1ccc(C[C@@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415060008 309117616 /nfs/dbraw/zinc/11/76/16/309117616.db2.gz VUMKOQHMKMGEIQ-XZFTYKLISA-N 2 0 341.543 3.204 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@H+](C)Cc1ccccc1 ZINC000415908577 309147698 /nfs/dbraw/zinc/14/76/98/309147698.db2.gz DHQPEAOZYKZMQL-MRXNPFEDSA-N 2 0 340.471 3.048 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000415949673 309150790 /nfs/dbraw/zinc/15/07/90/309150790.db2.gz ZZTOEZDVGWMDLK-INIZCTEOSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000415947609 309150818 /nfs/dbraw/zinc/15/08/18/309150818.db2.gz WTDRAZJVFNTMNH-JKSUJKDBSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000415961724 309151404 /nfs/dbraw/zinc/15/14/04/309151404.db2.gz WGAJKOBSMQWBID-DOTOQJQBSA-N 2 0 332.492 3.133 10 0 EGAERP CC[C@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416022379 309155041 /nfs/dbraw/zinc/15/50/41/309155041.db2.gz YYLKUPPDSHMDBC-SUMWQHHRSA-N 2 0 342.443 3.134 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1NC(C)=O ZINC000421372809 309321322 /nfs/dbraw/zinc/32/13/22/309321322.db2.gz MUMUSKZBKGWGGA-IGEOTXOUSA-N 2 0 333.476 3.177 10 0 EGAERP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)cc2c1C ZINC000422723762 309365028 /nfs/dbraw/zinc/36/50/28/309365028.db2.gz SIUCSNPIPACGBG-IPMKNSEASA-N 2 0 327.472 3.031 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726631 309365290 /nfs/dbraw/zinc/36/52/90/309365290.db2.gz FQJXDDAVGDCPIJ-INIZCTEOSA-N 2 0 338.499 3.164 10 0 EGAERP [NH3+]CC1CCC([NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)CC1 ZINC000422779275 309367869 /nfs/dbraw/zinc/36/78/69/309367869.db2.gz FRFSXTSCQTZTHC-UHFFFAOYSA-N 2 0 335.923 3.412 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422779951 309367908 /nfs/dbraw/zinc/36/79/08/309367908.db2.gz CLKVJLHIRLSYPS-VSZNYVQBSA-N 2 0 332.488 3.363 10 0 EGAERP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836699 309371153 /nfs/dbraw/zinc/37/11/53/309371153.db2.gz RSYZAJLANUIASG-NJDAHSKKSA-N 2 0 338.499 3.332 10 0 EGAERP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@H](C)[NH3+])c(Cl)c1 ZINC000422892394 309374654 /nfs/dbraw/zinc/37/46/54/309374654.db2.gz YGLMHCPOSWAAFO-LIRRHRJNSA-N 2 0 332.875 3.439 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913061 309375755 /nfs/dbraw/zinc/37/57/55/309375755.db2.gz XOOBVYCTADYKCG-GJZGRUSLSA-N 2 0 325.447 3.036 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913063 309375872 /nfs/dbraw/zinc/37/58/72/309375872.db2.gz XOOBVYCTADYKCG-LSDHHAIUSA-N 2 0 325.447 3.036 10 0 EGAERP CC[C@@H](Cc1ccccc1Br)[NH2+][C@H](CCC[NH3+])COC ZINC000422928615 309376574 /nfs/dbraw/zinc/37/65/74/309376574.db2.gz LRMCREHEBUUDTA-LSDHHAIUSA-N 2 0 343.309 3.114 10 0 EGAERP CCC1(C[NH2+][C@@H](C)[C@@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000423002127 309380261 /nfs/dbraw/zinc/38/02/61/309380261.db2.gz IWAAJGDVFRMFBA-ICSRJNTNSA-N 3 0 329.532 3.409 10 0 EGAERP Cc1nn(-c2ccccc2)cc1C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423025976 309381511 /nfs/dbraw/zinc/38/15/11/309381511.db2.gz AJQIYXGPQXFTFN-HNNXBMFYSA-N 2 0 335.455 3.194 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H](C)O1 ZINC000423107829 309386328 /nfs/dbraw/zinc/38/63/28/309386328.db2.gz FINLATNTSDTHSE-AUNZGGSSSA-N 2 0 344.499 3.426 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423154659 309388449 /nfs/dbraw/zinc/38/84/49/309388449.db2.gz PFMGCGWSSZYBDT-QMTHXVAHSA-N 2 0 327.241 3.307 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423293634 309394363 /nfs/dbraw/zinc/39/43/63/309394363.db2.gz RUTIOFHACSIDQR-HOTGVXAUSA-N 2 0 325.456 3.238 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NCC[C@H]3CCC[NH2+]3)[C@H]3CCC[C@H]32)cc1 ZINC000423367671 309397370 /nfs/dbraw/zinc/39/73/70/309397370.db2.gz YRFPAVQLWSZMTQ-MXEMCNAFSA-N 3 0 327.516 3.161 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423407761 309398903 /nfs/dbraw/zinc/39/89/03/309398903.db2.gz WJPFAWDJCVVQMQ-FZQKWOKYSA-N 2 0 327.241 3.163 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2cc3cccnc3o2)cc1 ZINC000449124555 310038809 /nfs/dbraw/zinc/03/88/09/310038809.db2.gz GUJMUEXWLVIFCP-UHFFFAOYSA-N 2 0 339.439 3.101 10 0 EGAERP CCNC(=O)C(C)(C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449214098 310045106 /nfs/dbraw/zinc/04/51/06/310045106.db2.gz VXEARIBBESNFMI-UHFFFAOYSA-N 2 0 339.568 3.418 10 0 EGAERP C[NH+]1CCN(CCC[NH2+][C@@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449222241 310045578 /nfs/dbraw/zinc/04/55/78/310045578.db2.gz VWNAGVCKCNSTBU-PKOBYXMFSA-N 2 0 335.923 3.203 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000449229878 310046247 /nfs/dbraw/zinc/04/62/47/310046247.db2.gz FTFUFFFXKPDMAG-BJLQDIEVSA-N 2 0 330.516 3.487 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCC2(O)CCOCC2)CC1 ZINC000449323504 310053548 /nfs/dbraw/zinc/05/35/48/310053548.db2.gz VTHQGVJYBRUSPT-UHFFFAOYSA-N 2 0 340.552 3.187 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1 ZINC000449508074 310067810 /nfs/dbraw/zinc/06/78/10/310067810.db2.gz GNTVLKRZNDZAJE-LULLPPNCSA-N 2 0 336.520 3.351 10 0 EGAERP Cc1cc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000450782937 310142385 /nfs/dbraw/zinc/14/23/85/310142385.db2.gz ZKMBRTIOSPPNCE-PXAZEXFGSA-N 2 0 333.382 3.285 10 0 EGAERP COC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452104515 310212423 /nfs/dbraw/zinc/21/24/23/310212423.db2.gz NNRFLJBCCBIWDX-IGVYDEPUSA-N 2 0 338.536 3.040 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453092383 310257330 /nfs/dbraw/zinc/25/73/30/310257330.db2.gz RALYHHYOGZQDIH-NJYVYQBISA-N 3 0 329.532 3.361 10 0 EGAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453105504 310258155 /nfs/dbraw/zinc/25/81/55/310258155.db2.gz HRBQIZFVUZWRFW-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP COC1([C@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453133915 310260174 /nfs/dbraw/zinc/26/01/74/310260174.db2.gz NITGTXQTQFBZPF-ROUUACIJSA-N 2 0 334.504 3.071 10 0 EGAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453197047 310263566 /nfs/dbraw/zinc/26/35/66/310263566.db2.gz MTZKHZPQQXRZTO-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453410055 310275514 /nfs/dbraw/zinc/27/55/14/310275514.db2.gz USHXQERDLYHVER-WIYYLYMNSA-N 2 0 329.532 3.361 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C(C)C)C1(CO)CCCC1 ZINC000453625894 310285455 /nfs/dbraw/zinc/28/54/55/310285455.db2.gz ZQTMMMAZHXQINK-IBGZPJMESA-N 2 0 342.487 3.243 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC000468773032 310693538 /nfs/dbraw/zinc/69/35/38/310693538.db2.gz AUCWQIKZQNQEKO-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP Cc1ccc(O)c(C[NH2+]CC[C@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505802 312212199 /nfs/dbraw/zinc/21/21/99/312212199.db2.gz MICQJNFQWCOTPQ-MJGOQNOKSA-N 2 0 339.483 3.486 10 0 EGAERP CCOc1c(Cl)cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc1OC ZINC000516650570 312335315 /nfs/dbraw/zinc/33/53/15/312335315.db2.gz PVFJALLKGVJQDE-GOSISDBHSA-N 2 0 338.879 3.323 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccn1 ZINC000527704040 312917401 /nfs/dbraw/zinc/91/74/01/312917401.db2.gz DRAFCBCDBBNSGD-UHFFFAOYSA-N 2 0 325.456 3.153 10 0 EGAERP CC1(C)CC(C[NH+]2CCC(C(=O)NCCC[NH+]3CCCCC3)CC2)C1 ZINC000528420889 313089547 /nfs/dbraw/zinc/08/95/47/313089547.db2.gz LKWIFDUQKGEOLC-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](CCc1ccccc1)C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530249030 313505712 /nfs/dbraw/zinc/50/57/12/313505712.db2.gz SRNPPIOXDMJUFQ-NQIIRXRSSA-N 2 0 330.516 3.346 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000536626111 314131995 /nfs/dbraw/zinc/13/19/95/314131995.db2.gz CXHHNGHKRZFNOV-LSDHHAIUSA-N 2 0 341.902 3.403 10 0 EGAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000570281876 317033610 /nfs/dbraw/zinc/03/36/10/317033610.db2.gz PAPWJADKAMHISA-ICSRJNTNSA-N 2 0 343.515 3.149 10 0 EGAERP c1nc([C@@H]2CCC[N@@H+](Cc3ccc4c(n3)CCC4)C2)n2c1CCCC2 ZINC000570296186 317036147 /nfs/dbraw/zinc/03/61/47/317036147.db2.gz GHPQTRRKYUIMMZ-QGZVFWFLSA-N 2 0 336.483 3.483 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@H]2CCC[C@@H]21 ZINC000570310205 317038428 /nfs/dbraw/zinc/03/84/28/317038428.db2.gz QRGIAFURLCUYIH-SNPRPXQTSA-N 2 0 344.286 3.230 10 0 EGAERP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1)C(F)(F)F ZINC000572112366 317292338 /nfs/dbraw/zinc/29/23/38/317292338.db2.gz FOWMKFLYHZZVNC-INIZCTEOSA-N 2 0 330.394 3.075 10 0 EGAERP Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000581340600 325353013 /nfs/dbraw/zinc/35/30/13/325353013.db2.gz GSTLWAPELSSXLW-CYBMUJFWSA-N 2 0 347.409 3.463 10 0 EGAERP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@H](C)C2)c2ccccc2C1 ZINC000241644563 455269898 /nfs/dbraw/zinc/26/98/98/455269898.db2.gz PRTMOXDYVKZOMO-UWJYYQICSA-N 2 0 343.515 3.192 10 0 EGAERP C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475602 460569631 /nfs/dbraw/zinc/56/96/31/460569631.db2.gz UDVXCUWPGVOEHH-HOCLYGCPSA-N 2 0 328.460 3.303 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)CC1(C)C ZINC000623489448 460577965 /nfs/dbraw/zinc/57/79/65/460577965.db2.gz AFFGOPCTIGMKPJ-MRXNPFEDSA-N 2 0 346.450 3.271 10 0 EGAERP CCc1ccc2c(C[NH+]3CCC(c4ncc[nH]4)CC3)cc(=O)oc2c1 ZINC000265476892 455331989 /nfs/dbraw/zinc/33/19/89/455331989.db2.gz JRLMZISDWIAGSO-UHFFFAOYSA-N 2 0 337.423 3.458 10 0 EGAERP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522214 460794655 /nfs/dbraw/zinc/79/46/55/460794655.db2.gz XMIWCCRVWPBKBE-CQSZACIVSA-N 2 0 328.909 3.308 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623496017 460580466 /nfs/dbraw/zinc/58/04/66/460580466.db2.gz DXJFUIDQBKMLJN-UXHICEINSA-N 2 0 329.532 3.359 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000008429090 453202601 /nfs/dbraw/zinc/20/26/01/453202601.db2.gz GCLRZSOLNBUYPJ-IRXDYDNUSA-N 2 0 347.503 3.266 10 0 EGAERP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563983 460615457 /nfs/dbraw/zinc/61/54/57/460615457.db2.gz OTLJZOCZNAFGAK-UYAOXDASSA-N 2 0 334.504 3.071 10 0 EGAERP CCC[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000245734705 455368075 /nfs/dbraw/zinc/36/80/75/455368075.db2.gz CWVOXCSQZUGQPV-MJGOQNOKSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[NH+](C)C ZINC000245734693 455368224 /nfs/dbraw/zinc/36/82/24/455368224.db2.gz CWVOXCSQZUGQPV-IEBWSBKVSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)NC3CC[NH+](C)CC3)c2C1 ZINC000069697032 454133464 /nfs/dbraw/zinc/13/34/64/454133464.db2.gz BMIXWVRCKHFIMY-UHFFFAOYSA-N 2 0 344.503 3.264 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513095 454157459 /nfs/dbraw/zinc/15/74/59/454157459.db2.gz PTFVWTCJMQBSQT-APWZRJJASA-N 2 0 343.515 3.029 10 0 EGAERP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC000191008852 455424651 /nfs/dbraw/zinc/42/46/51/455424651.db2.gz HTJPPGWTMOGAIZ-WCRBZPEASA-N 2 0 327.516 3.046 10 0 EGAERP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000119732198 454217078 /nfs/dbraw/zinc/21/70/78/454217078.db2.gz BQZBLIHFDDZTTI-SFHVURJKSA-N 2 0 345.531 3.409 10 0 EGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cccc2c1OCCCO2 ZINC000047496011 454378249 /nfs/dbraw/zinc/37/82/49/454378249.db2.gz BLCMKARDHZUCHO-UHFFFAOYSA-N 2 0 326.440 3.199 10 0 EGAERP COc1cccc([C@@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000079406292 454410902 /nfs/dbraw/zinc/41/09/02/454410902.db2.gz UWRPUAKJZCFAJG-QGZVFWFLSA-N 2 0 332.488 3.191 10 0 EGAERP c1ccc(OCCOCC[N@@H+]2CC[C@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923794 454609538 /nfs/dbraw/zinc/60/95/38/454609538.db2.gz ZYHMCLIGYMVSQU-NQIIRXRSSA-N 2 0 344.499 3.031 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000081096396 454684785 /nfs/dbraw/zinc/68/47/85/454684785.db2.gz YRGPWSKTVAFRLC-RHSMWYFYSA-N 2 0 337.895 3.331 10 0 EGAERP C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000152945421 454745905 /nfs/dbraw/zinc/74/59/05/454745905.db2.gz WBZRGKPOKBLMTM-NJDAHSKKSA-N 2 0 327.516 3.258 10 0 EGAERP CCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165945590 454906430 /nfs/dbraw/zinc/90/64/30/454906430.db2.gz VNXIVFICQKHXCL-FXAWDEMLSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc3ccccc23)CC1 ZINC000170941983 455003722 /nfs/dbraw/zinc/00/37/22/455003722.db2.gz YZPJUDNDSUMZRR-OAHLLOKOSA-N 2 0 332.513 3.426 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155659138 455027983 /nfs/dbraw/zinc/02/79/83/455027983.db2.gz WPDVBENBNQHMFQ-ICSRJNTNSA-N 2 0 345.531 3.133 10 0 EGAERP O[C@H](C[NH+]1CCC(C[NH2+]C(C2CC2)C2CC2)CC1)c1ccccc1 ZINC000151904959 455046973 /nfs/dbraw/zinc/04/69/73/455046973.db2.gz FOTUITZXYAXDAY-HXUWFJFHSA-N 2 0 328.500 3.210 10 0 EGAERP COc1cc(C[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)ccc1O ZINC000180125675 455136284 /nfs/dbraw/zinc/13/62/84/455136284.db2.gz ZAQBOOCWFQWCTA-LJQANCHMSA-N 2 0 340.467 3.055 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)COc2c(C)ccc(C)c2C)[C@H](C)C1 ZINC000245440555 455300429 /nfs/dbraw/zinc/30/04/29/455300429.db2.gz UQZJVRILSPNCGC-RLLQIKCJSA-N 2 0 348.531 3.014 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729798 455366659 /nfs/dbraw/zinc/36/66/59/455366659.db2.gz JMZUPQWDZXHUDT-OXJNMPFZSA-N 2 0 326.488 3.343 10 0 EGAERP COc1cc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)ccc1OC(C)C ZINC000245750866 455373199 /nfs/dbraw/zinc/37/31/99/455373199.db2.gz HCTCOCPLHACBAQ-ZWKOTPCHSA-N 2 0 332.488 3.399 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Oc3cnccn3)cc2)[C@@H](C)C1 ZINC000245765124 455377043 /nfs/dbraw/zinc/37/70/43/455377043.db2.gz QOSFQHSWNOEMJB-QFBILLFUSA-N 2 0 340.471 3.431 10 0 EGAERP CC[NH+]1CCN([C@H]2CCN(c3c(C)c[nH+]c4c(C)cccc43)C2)CC1 ZINC000185302185 455536939 /nfs/dbraw/zinc/53/69/39/455536939.db2.gz HNBUJUVMXWQQPM-SFHVURJKSA-N 2 0 338.499 3.068 10 0 EGAERP Cn1c2ccc(C[NH2+][C@@H](CC[NH+](C)C)C(C)(C)C)cc2sc1=O ZINC000192567581 455643487 /nfs/dbraw/zinc/64/34/87/455643487.db2.gz KXFPMJDSLSCYCA-INIZCTEOSA-N 2 0 335.517 3.056 10 0 EGAERP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@@H](O)CN(C)Cc2ccccc2)cc1 ZINC000606540294 460692898 /nfs/dbraw/zinc/69/28/98/460692898.db2.gz GGFPECGJFJTTQV-KNQAVFIVSA-N 2 0 340.511 3.351 10 0 EGAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000617012681 460708673 /nfs/dbraw/zinc/70/86/73/460708673.db2.gz FXWAKBFBEMAHCR-CQSZACIVSA-N 2 0 343.471 3.097 10 0 EGAERP C[C@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000263299146 456121735 /nfs/dbraw/zinc/12/17/35/456121735.db2.gz WVMZARQIBQIHHK-CTNGQTDRSA-N 2 0 343.515 3.196 10 0 EGAERP CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000273190125 456207769 /nfs/dbraw/zinc/20/77/69/456207769.db2.gz GPVTVYMDMSJMIV-XIGKFDRGSA-N 2 0 338.499 3.464 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cccc(C2CC2)c1)C(=O)NCC[NH+](C)C ZINC000340345108 456403356 /nfs/dbraw/zinc/40/33/56/456403356.db2.gz HKVMHLIEXQCEIB-JXFKEZNVSA-N 2 0 345.531 3.307 10 0 EGAERP Cc1cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc(C)c1O ZINC000347857810 456408339 /nfs/dbraw/zinc/40/83/39/456408339.db2.gz OQHDEUQAFGNSLO-UHFFFAOYSA-N 2 0 332.488 3.086 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000340377048 456423901 /nfs/dbraw/zinc/42/39/01/456423901.db2.gz JSZPIFHXAKWIOA-TZIWHRDSSA-N 2 0 345.531 3.450 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000340465101 456476002 /nfs/dbraw/zinc/47/60/02/456476002.db2.gz QBOGMDLPYCRNDE-FQEVSTJZSA-N 2 0 341.503 3.223 10 0 EGAERP CC[C@H](C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000338267535 456739591 /nfs/dbraw/zinc/73/95/91/456739591.db2.gz VGLHCVCKHUQMGX-LJQANCHMSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1cccc(OCC[NH+](C)C)c1 ZINC000353641719 456823537 /nfs/dbraw/zinc/82/35/37/456823537.db2.gz JQFAHEVBALIJDZ-OAHLLOKOSA-N 2 0 338.455 3.354 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COC)cc2)[C@H](C)C1 ZINC000339097605 456939475 /nfs/dbraw/zinc/93/94/75/456939475.db2.gz YTILKCRZXDQJHS-YLJYHZDGSA-N 2 0 334.504 3.060 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H]2CCCC[C@@H]21 ZINC000346169693 457021045 /nfs/dbraw/zinc/02/10/45/457021045.db2.gz MOLKUWNSUBDKJI-ROUUACIJSA-N 2 0 328.485 3.436 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000354177038 457111895 /nfs/dbraw/zinc/11/18/95/457111895.db2.gz GAUWIUIIDBIQSR-KUIDOIOASA-N 2 0 339.527 3.254 10 0 EGAERP CCSCC[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000354207892 457131908 /nfs/dbraw/zinc/13/19/08/457131908.db2.gz NLKGLMTUKOSZSA-LJQANCHMSA-N 2 0 348.556 3.258 10 0 EGAERP CCc1cccc(F)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000354653121 457299599 /nfs/dbraw/zinc/29/95/99/457299599.db2.gz DKTZQEQRLRVKPV-LJQANCHMSA-N 2 0 342.458 3.245 10 0 EGAERP OC1(C[NH2+]Cc2cccc(Cl)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397644690 457490596 /nfs/dbraw/zinc/49/05/96/457490596.db2.gz UPGGTIFBJLRVNJ-UHFFFAOYSA-N 2 0 344.886 3.457 10 0 EGAERP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400597402 457518767 /nfs/dbraw/zinc/51/87/67/457518767.db2.gz VXQGYEWDUWPFMO-SJORKVTESA-N 2 0 339.524 3.098 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@@H]2CCCCO2)CC1 ZINC000352681233 457525654 /nfs/dbraw/zinc/52/56/54/457525654.db2.gz LERXHPLCOVRRKY-FQEVSTJZSA-N 2 0 345.531 3.220 10 0 EGAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1CCC([NH3+])CC1 ZINC000404368098 457542295 /nfs/dbraw/zinc/54/22/95/457542295.db2.gz HNNVRHDLMOFVKO-OMYJOFGJSA-N 2 0 343.515 3.014 10 0 EGAERP C[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)[C@H]1CC[NH3+] ZINC000404440993 457544394 /nfs/dbraw/zinc/54/43/94/457544394.db2.gz URYSSDKSTNDVSL-KBPBESRZSA-N 2 0 334.489 3.180 10 0 EGAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ncc(-c3ccccc3)s2)CC1 ZINC000356309681 457565467 /nfs/dbraw/zinc/56/54/67/457565467.db2.gz ZCKREZNIHGPJTE-UHFFFAOYSA-N 2 0 345.512 3.135 10 0 EGAERP COc1cccc([C@@H](C)[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000370688921 457701333 /nfs/dbraw/zinc/70/13/33/457701333.db2.gz JXKASOFZDAPESU-GOSISDBHSA-N 2 0 345.531 3.247 10 0 EGAERP C([NH2+][C@@H]1CC2CCC1CC2)C1(C[NH2+][C@H]2CC3CCC2CC3)COC1 ZINC000433067036 457749438 /nfs/dbraw/zinc/74/94/38/457749438.db2.gz JINLYFUSEUBMMK-LRSVDANFSA-N 2 0 332.532 3.340 10 0 EGAERP CN(Cc1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000411263087 457844741 /nfs/dbraw/zinc/84/47/41/457844741.db2.gz SDFIKJATLSYDHW-NRFANRHFSA-N 2 0 327.516 3.341 10 0 EGAERP COC1CCC(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000361919766 457955201 /nfs/dbraw/zinc/95/52/01/457955201.db2.gz UGOYQIWLPLEHHH-LRYGQEGESA-N 2 0 334.504 3.483 10 0 EGAERP COc1cccc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000361929509 457961190 /nfs/dbraw/zinc/96/11/90/457961190.db2.gz NQWHWSNWOLDRJM-XLIONFOSSA-N 2 0 339.483 3.133 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)Nc2ccccc2C)CC1 ZINC000434622295 458023622 /nfs/dbraw/zinc/02/36/22/458023622.db2.gz CMMPUOVYNROHNY-UHFFFAOYSA-N 2 0 331.504 3.377 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)n1 ZINC000358770620 458206335 /nfs/dbraw/zinc/20/63/35/458206335.db2.gz JKMRPOVHOYBJPD-QFBILLFUSA-N 2 0 331.504 3.265 10 0 EGAERP C[NH+](C)[C@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543919 458308438 /nfs/dbraw/zinc/30/84/38/458308438.db2.gz UBTUVTDLIWIWJC-MXEMCNAFSA-N 2 0 327.516 3.112 10 0 EGAERP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459656802 458437574 /nfs/dbraw/zinc/43/75/74/458437574.db2.gz HEOJAJZCCHTSHI-RDJZCZTQSA-N 2 0 329.444 3.326 10 0 EGAERP CC1(C)[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C[C@H]1c1ccccc1 ZINC000423510528 458447911 /nfs/dbraw/zinc/44/79/11/458447911.db2.gz MNDDBVTWFRLMDV-JSRAGOMMSA-N 2 0 341.543 3.375 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423561898 458456886 /nfs/dbraw/zinc/45/68/86/458456886.db2.gz WEYYXPMKTFTJHV-ZJIFWQFVSA-N 2 0 349.316 3.284 10 0 EGAERP OCCN1CCCC[C@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000453273259 458522426 /nfs/dbraw/zinc/52/24/26/458522426.db2.gz VNKNMABJPJXLLU-XJKSGUPXSA-N 2 0 340.920 3.313 10 0 EGAERP CC[C@H]1CCCC[C@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000502045565 458634767 /nfs/dbraw/zinc/63/47/67/458634767.db2.gz FVGDGTLZKMNLKF-RBUKOAKNSA-N 2 0 330.520 3.282 10 0 EGAERP O=C(C[N@@H+]1CCCC2(C1)CCCCCC2)NC1CC[NH+](C2CC2)CC1 ZINC000464765358 458770158 /nfs/dbraw/zinc/77/01/58/458770158.db2.gz LJFXGOMYKQZNSX-UHFFFAOYSA-N 2 0 347.547 3.166 10 0 EGAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683416 458960573 /nfs/dbraw/zinc/96/05/73/458960573.db2.gz JSTGRJGEFHGDBB-BMQTXXJKSA-N 2 0 329.532 3.204 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864184 459024289 /nfs/dbraw/zinc/02/42/89/459024289.db2.gz CZASYIZCFXBYKZ-RBSFLKMASA-N 2 0 340.414 3.259 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)C2)c1 ZINC000556868555 459024597 /nfs/dbraw/zinc/02/45/97/459024597.db2.gz YYDTZGBYMHYSGQ-LLUDDFSJSA-N 2 0 343.515 3.126 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)[C@@H](C)C1 ZINC000477857004 459064031 /nfs/dbraw/zinc/06/40/31/459064031.db2.gz FTSWFSHDXZEHCK-YSIASYRMSA-N 2 0 340.552 3.044 10 0 EGAERP CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000594512118 459070886 /nfs/dbraw/zinc/07/08/86/459070886.db2.gz UCWLMSYLHIEFHT-QXGSTGNESA-N 2 0 330.472 3.098 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)C2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000594585171 459098112 /nfs/dbraw/zinc/09/81/12/459098112.db2.gz QKWANSKTEZSICI-ZIAGYGMSSA-N 2 0 346.462 3.111 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1Cc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000443228014 459100542 /nfs/dbraw/zinc/10/05/42/459100542.db2.gz YFMZXTVLZPMEEU-CHWSQXEVSA-N 2 0 332.423 3.310 10 0 EGAERP CC1CC[NH+](CCN[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615851 459209993 /nfs/dbraw/zinc/20/99/93/459209993.db2.gz UANUXUCLEMEBHT-TZIWHRDSSA-N 2 0 329.532 3.219 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000590787052 459219737 /nfs/dbraw/zinc/21/97/37/459219737.db2.gz VIDWEAXWXCONKF-MRXNPFEDSA-N 2 0 349.494 3.055 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000534316771 459313065 /nfs/dbraw/zinc/31/30/65/459313065.db2.gz NNCSHXHGERHLCA-OPVJXMOQSA-N 2 0 345.531 3.264 10 0 EGAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C[N@H+](C)C(C)C)CC1 ZINC000524156101 459347758 /nfs/dbraw/zinc/34/77/58/459347758.db2.gz IWEVBWUTJIQWRY-UHFFFAOYSA-N 2 0 345.531 3.087 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000569690724 459494469 /nfs/dbraw/zinc/49/44/69/459494469.db2.gz KJRVZLNFTGRQTD-MJGOQNOKSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCC[NH2+]C1 ZINC000562748211 459640477 /nfs/dbraw/zinc/64/04/77/459640477.db2.gz ZUVDVRBHZKFQET-SWLSCSKDSA-N 2 0 343.393 3.154 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409318 459730259 /nfs/dbraw/zinc/73/02/59/459730259.db2.gz BRSHGXKKXBRVBF-UXHICEINSA-N 2 0 327.516 3.115 10 0 EGAERP c1ccc(CC[NH+]2CCC(NC[C@@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527811687 459747924 /nfs/dbraw/zinc/74/79/24/459747924.db2.gz RVNHCHBTRUBFFI-QFIPXVFZSA-N 2 0 341.543 3.300 10 0 EGAERP CCC[N@@H+]1CC[C@H](CN[C@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849975 459758517 /nfs/dbraw/zinc/75/85/17/459758517.db2.gz JPLZXCRNNABCCR-IAGOWNOFSA-N 2 0 326.488 3.470 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CCN(c2cc[nH+]c3ccc(C)cc32)C1 ZINC000544846672 459787897 /nfs/dbraw/zinc/78/78/97/459787897.db2.gz FMIOFOYCELMMPP-KRWDZBQOSA-N 2 0 327.472 3.480 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)cn1 ZINC000527987455 459788666 /nfs/dbraw/zinc/78/86/66/459788666.db2.gz NAYNUWILTHTWJN-VQIMIIECSA-N 2 0 331.504 3.265 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000528010522 459796232 /nfs/dbraw/zinc/79/62/32/459796232.db2.gz ZCYBCWZXYGFHNS-BWZHCXAASA-N 2 0 330.516 3.484 10 0 EGAERP C[S@@](=O)C1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779644 459801367 /nfs/dbraw/zinc/80/13/67/459801367.db2.gz HOKPWGSUKBAWSW-HOYKHHGWSA-N 2 0 346.540 3.074 10 0 EGAERP CC(C)OC[C@@H](O)C[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000566118177 459808095 /nfs/dbraw/zinc/80/80/95/459808095.db2.gz XPJJHKJZDCDYEF-HKUYNNGSSA-N 2 0 334.504 3.026 10 0 EGAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccccc1I ZINC000593318195 459839812 /nfs/dbraw/zinc/83/98/12/459839812.db2.gz AZHOPWJGCXXXRW-LLVKDONJSA-N 2 0 344.240 3.071 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000597199456 459874050 /nfs/dbraw/zinc/87/40/50/459874050.db2.gz CZFGIIGURUCYBD-GBESFXJTSA-N 2 0 342.483 3.110 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CCOC2CCOCC2)CC1)CC(C)C ZINC000625280982 460105040 /nfs/dbraw/zinc/10/50/40/460105040.db2.gz LCUMOPQNLVSTRI-UHFFFAOYSA-N 2 0 340.552 3.262 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000631566608 460445545 /nfs/dbraw/zinc/44/55/45/460445545.db2.gz BNGANRLYTJCITM-UFYCRDLUSA-N 2 0 326.484 3.330 10 0 EGAERP Fc1cccc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c1OCC(F)(F)F ZINC000623356218 460508024 /nfs/dbraw/zinc/50/80/24/460508024.db2.gz DERRRJSMWLBFML-LBPRGKRZSA-N 2 0 346.368 3.341 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1(C)C ZINC000623419942 460538204 /nfs/dbraw/zinc/53/82/04/460538204.db2.gz DGYPGXGROBAQJN-HNNXBMFYSA-N 2 0 348.878 3.395 10 0 EGAERP C[C@H](C[NH+]1CCCCC1)Nc1nccc(N2Cc3ccccc3C2)n1 ZINC000623852995 460743747 /nfs/dbraw/zinc/74/37/47/460743747.db2.gz JLMNOSRLAZNBGD-MRXNPFEDSA-N 2 0 337.471 3.283 10 0 EGAERP CCn1c2ccccc2c2cc(C[NH2+]CCOCCC[NH3+])ccc21 ZINC000629397611 460748048 /nfs/dbraw/zinc/74/80/48/460748048.db2.gz AOLOPXBNBUTPND-UHFFFAOYSA-N 2 0 325.456 3.269 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623875126 460756830 /nfs/dbraw/zinc/75/68/30/460756830.db2.gz YNSXLPSWUVHHBC-FPOVZHCZSA-N 2 0 345.531 3.136 10 0 EGAERP CC[C@@H]1CN(C(=O)c2ccc(C[N@H+](CC)C(C)C)cc2)C[C@H](C)[NH2+]1 ZINC000620904729 460822803 /nfs/dbraw/zinc/82/28/03/460822803.db2.gz YNNLHFUEOQOIQJ-QFBILLFUSA-N 2 0 331.504 3.129 10 0 EGAERP [NH3+]CCCOCC[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000629660673 460854614 /nfs/dbraw/zinc/85/46/14/460854614.db2.gz XJIJUWPGQUASRA-UHFFFAOYSA-N 2 0 331.441 3.011 10 0 EGAERP Cc1ccc2cc(C[N@@H+]3CCC[C@H](CN4CCOCC4)C3)[nH]c2c1 ZINC000668109773 461107745 /nfs/dbraw/zinc/10/77/45/461107745.db2.gz MBZNHGGDPKWGFG-QGZVFWFLSA-N 2 0 327.472 3.021 10 0 EGAERP c1ccc([C@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)Cc3ccccc32)cc1 ZINC000662249276 461141933 /nfs/dbraw/zinc/14/19/33/461141933.db2.gz RXKBRGKDTSZVLB-TZIWHRDSSA-N 2 0 334.463 3.155 10 0 EGAERP Fc1cccc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)c1OC(F)F ZINC000662272882 461161233 /nfs/dbraw/zinc/16/12/33/461161233.db2.gz JRAOMYIWFZJCCD-ZDUSSCGKSA-N 2 0 328.378 3.249 10 0 EGAERP Clc1cccc([C@H]2C[NH2+]CCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662272788 461161273 /nfs/dbraw/zinc/16/12/73/461161273.db2.gz PUXGOGOSLXJPOU-HXUWFJFHSA-N 2 0 341.886 3.132 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1 ZINC000662292404 461169699 /nfs/dbraw/zinc/16/96/99/461169699.db2.gz FHSQLTOJKUAUTD-MRXNPFEDSA-N 2 0 349.906 3.380 10 0 EGAERP C[C@@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662298190 461175553 /nfs/dbraw/zinc/17/55/53/461175553.db2.gz UUVXOOJJNKZCKU-HOCLYGCPSA-N 2 0 349.906 3.379 10 0 EGAERP C[C@@H](CCc1ccc(O)cc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668441634 461282854 /nfs/dbraw/zinc/28/28/54/461282854.db2.gz WVUNMYVWVPNAIC-KRWDZBQOSA-N 2 0 346.515 3.194 10 0 EGAERP C[C@@H](COc1c(F)cccc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668533447 461317819 /nfs/dbraw/zinc/31/78/19/461317819.db2.gz JYSVNTFCZHVBMU-AWEZNQCLSA-N 2 0 347.409 3.386 10 0 EGAERP CC(C)([NH3+])c1cc(C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)on1 ZINC000662684413 461344635 /nfs/dbraw/zinc/34/46/35/461344635.db2.gz YKKZVIFKDFZMPP-UHFFFAOYSA-N 2 0 342.443 3.107 10 0 EGAERP CC(C)C[C@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740727 461408948 /nfs/dbraw/zinc/40/89/48/461408948.db2.gz WTEAROBIIRZVFJ-TZIWHRDSSA-N 2 0 330.516 3.347 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659910845 461494939 /nfs/dbraw/zinc/49/49/39/461494939.db2.gz UVTYMVKWCQKXEG-SFTDATJTSA-N 2 0 341.543 3.208 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccccc1CC(F)(F)F ZINC000631067877 461519987 /nfs/dbraw/zinc/51/99/87/461519987.db2.gz JIYTYEMLVNSLEG-KRWDZBQOSA-N 2 0 344.421 3.118 10 0 EGAERP Cc1ccc2ncc(C[NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)n2c1 ZINC000647248867 461588679 /nfs/dbraw/zinc/58/86/79/461588679.db2.gz LHMITFDGOZAOPL-QUCCMNQESA-N 2 0 334.467 3.078 10 0 EGAERP O[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663368556 461595422 /nfs/dbraw/zinc/59/54/22/461595422.db2.gz IYKDCKSHGYCWAC-XUVXKRRUSA-N 2 0 328.500 3.182 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000663504832 461676753 /nfs/dbraw/zinc/67/67/53/461676753.db2.gz AMLXGSNWICMNGD-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP [NH3+]Cc1ccc(-c2noc(-c3ccc4c(c3)[C@@H](C[NH3+])CCC4)n2)cc1 ZINC000656563521 461787086 /nfs/dbraw/zinc/78/70/86/461787086.db2.gz SRRDWYRYBPPSMR-QGZVFWFLSA-N 2 0 334.423 3.241 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666878533 461848889 /nfs/dbraw/zinc/84/88/89/461848889.db2.gz JHVAFOAMLKRIFU-MGPUTAFESA-N 2 0 328.431 3.492 10 0 EGAERP CC1CCC(N(C(=O)CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901003 461876926 /nfs/dbraw/zinc/87/69/26/461876926.db2.gz INNSGRSDNUYPEL-NIAPBTPMSA-N 2 0 347.547 3.020 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1 ZINC000647901875 461877538 /nfs/dbraw/zinc/87/75/38/461877538.db2.gz WWHUNEYWPAMMEX-YOEHRIQHSA-N 2 0 335.879 3.133 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953595 461886708 /nfs/dbraw/zinc/88/67/08/461886708.db2.gz BQPHMPCTZZUGRZ-QAPCUYQASA-N 2 0 329.488 3.259 10 0 EGAERP CCn1c2ccccc2nc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656784943 461893331 /nfs/dbraw/zinc/89/33/31/461893331.db2.gz IHVCGGUHDJVDLU-KRWDZBQOSA-N 2 0 326.488 3.268 10 0 EGAERP c1cc(N2CCC([NH2+]CC3([C@@H]4CCCCO4)CCC3)CC2)cc[nH+]1 ZINC000639389329 461907038 /nfs/dbraw/zinc/90/70/38/461907038.db2.gz KOAMRVIMAPOICG-IBGZPJMESA-N 2 0 329.488 3.379 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OC)c1OC(F)F ZINC000650718330 461910103 /nfs/dbraw/zinc/91/01/03/461910103.db2.gz HLXXDTQXDUXFTD-UHFFFAOYSA-N 2 0 336.382 3.306 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(OC)c1OC(C)C ZINC000650718728 461910995 /nfs/dbraw/zinc/91/09/95/461910995.db2.gz VDPRMVZFUNKRLG-UHFFFAOYSA-N 2 0 328.456 3.492 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650722805 461914594 /nfs/dbraw/zinc/91/45/94/461914594.db2.gz BRBPUTJLEBORIV-GUDVDZBRSA-N 2 0 332.488 3.173 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1Br ZINC000650743207 461929564 /nfs/dbraw/zinc/92/95/64/461929564.db2.gz OHWCQSCYHSFEIP-NSHDSACASA-N 2 0 327.266 3.237 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCc3c2c(Br)ccc3F)CC1 ZINC000650745901 461930117 /nfs/dbraw/zinc/93/01/17/461930117.db2.gz QOINVNMAIZPBJB-CYBMUJFWSA-N 2 0 327.241 3.294 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccccc2CNCc2cc3n(n2)CCC3)C1 ZINC000657311603 462036486 /nfs/dbraw/zinc/03/64/86/462036486.db2.gz PHGTYEQEIMPBRW-KRWDZBQOSA-N 2 0 338.499 3.351 10 0 EGAERP CC1CC[NH+](CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657313806 462038242 /nfs/dbraw/zinc/03/82/42/462038242.db2.gz UFQKPDHBJQKJFZ-UHFFFAOYSA-N 2 0 332.414 3.041 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657350063 462064719 /nfs/dbraw/zinc/06/47/19/462064719.db2.gz ZHRFMSGASUPDJI-UHFFFAOYSA-N 2 0 336.439 3.343 10 0 EGAERP C[NH+](C)[C@@H]1CCOc2c(NCc3ccnn3-c3cc[nH+]cc3)cccc21 ZINC000657454077 462134345 /nfs/dbraw/zinc/13/43/45/462134345.db2.gz GVVAXDAFEGWMAQ-LJQANCHMSA-N 2 0 349.438 3.265 10 0 EGAERP c1cc(CNC[C@@H]2CCC[N@@H+]2C2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657455659 462135241 /nfs/dbraw/zinc/13/52/41/462135241.db2.gz WIFJQPYUCJTELL-IBGZPJMESA-N 2 0 339.487 3.154 10 0 EGAERP COC[C@@H](C)Oc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000657488463 462154200 /nfs/dbraw/zinc/15/42/00/462154200.db2.gz PIDUJFHMIXPGQV-OAHLLOKOSA-N 2 0 325.412 3.038 10 0 EGAERP COc1ccccc1/C=C/C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657534673 462171176 /nfs/dbraw/zinc/17/11/76/462171176.db2.gz CIKPOEWAHXESGH-GQCTYLIASA-N 2 0 344.499 3.189 10 0 EGAERP Fc1cc(Cl)cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657537340 462172059 /nfs/dbraw/zinc/17/20/59/462172059.db2.gz HYUORXREVAHYJM-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP Clc1ccsc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538344 462172089 /nfs/dbraw/zinc/17/20/89/462172089.db2.gz ZMSMVXVXZJVAND-UHFFFAOYSA-N 2 0 328.909 3.382 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3nccc4ccccc43)cc2)C1 ZINC000657594271 462194321 /nfs/dbraw/zinc/19/43/21/462194321.db2.gz HYKUYNKPDFTNBX-HXUWFJFHSA-N 2 0 347.462 3.091 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(C4CC4)c3)cc2)C1 ZINC000657595372 462197615 /nfs/dbraw/zinc/19/76/15/462197615.db2.gz HINUXINKEWCJAD-QFIPXVFZSA-N 2 0 336.479 3.420 10 0 EGAERP C[C@@H](CO)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836981 462210326 /nfs/dbraw/zinc/21/03/26/462210326.db2.gz YLGFSEUAQGNKIR-XLIONFOSSA-N 2 0 330.516 3.237 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667896115 462312531 /nfs/dbraw/zinc/31/25/31/462312531.db2.gz JWTJABFFRNEUOQ-ILACCBGSSA-N 2 0 328.500 3.300 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1N(C)C ZINC000658068259 462366068 /nfs/dbraw/zinc/36/60/68/462366068.db2.gz VJABMVCULLDLCB-QGZVFWFLSA-N 2 0 345.531 3.294 10 0 EGAERP CO[C@H](c1ccccc1)[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069237 462366560 /nfs/dbraw/zinc/36/65/60/462366560.db2.gz DRCSSWHHMIWUPH-UTKZUKDTSA-N 2 0 346.515 3.243 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C3(CCC3)C2)cc1 ZINC000665277287 462381905 /nfs/dbraw/zinc/38/19/05/462381905.db2.gz YJJFMAWXMUARKD-MQEZQYLSSA-N 2 0 339.527 3.161 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(Cl)s2)CC1 ZINC000665285726 462384391 /nfs/dbraw/zinc/38/43/91/462384391.db2.gz VERDCAIBXCYYRC-GFCCVEGCSA-N 2 0 343.924 3.043 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCCc2c3ccccc3[nH]c21 ZINC000658108248 462388698 /nfs/dbraw/zinc/38/86/98/462388698.db2.gz QEJDUFBVEFEPEG-JXFKEZNVSA-N 2 0 342.531 3.407 10 0 EGAERP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000651948349 462389041 /nfs/dbraw/zinc/38/90/41/462389041.db2.gz JSMRYEPFCWZGDO-LJQANCHMSA-N 2 0 332.488 3.162 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccncc1Cl ZINC000658134419 462399739 /nfs/dbraw/zinc/39/97/39/462399739.db2.gz AAIFYGSTVAZAKJ-RHSMWYFYSA-N 2 0 345.874 3.152 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142163 462404803 /nfs/dbraw/zinc/40/48/03/462404803.db2.gz YYZHSOAEUZEZJW-CJNGLKHVSA-N 2 0 326.431 3.023 10 0 EGAERP CCc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000658143615 462406679 /nfs/dbraw/zinc/40/66/79/462406679.db2.gz ZPQBQHMLBRDCTH-MAUKXSAKSA-N 2 0 328.456 3.259 10 0 EGAERP CN(c1ccccc1C[N@@H+]1CC[C@@]2(CC2(F)F)C1)C1CC[NH+](C)CC1 ZINC000652063711 462423165 /nfs/dbraw/zinc/42/31/65/462423165.db2.gz SQBTZSXBXXELIZ-LJQANCHMSA-N 2 0 349.469 3.448 10 0 EGAERP OC1CCC(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000658284235 462455500 /nfs/dbraw/zinc/45/55/00/462455500.db2.gz GCJODBYXYQEISL-KPUASWNJSA-N 2 0 342.527 3.428 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318298 462474599 /nfs/dbraw/zinc/47/45/99/462474599.db2.gz OVACSVFHFWVRMG-IEBWSBKVSA-N 2 0 338.499 3.373 10 0 EGAERP Cc1c([C@@H](C)NCCC[N@@H+](C)CC(C)C)nnn1-c1ccccc1 ZINC000652221980 462476981 /nfs/dbraw/zinc/47/69/81/462476981.db2.gz BJFBLBCXBGXQAO-MRXNPFEDSA-N 2 0 329.492 3.204 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000658332835 462479827 /nfs/dbraw/zinc/47/98/27/462479827.db2.gz WCKYNZFVYQAQEF-MJGOQNOKSA-N 2 0 330.516 3.487 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000646106136 462518582 /nfs/dbraw/zinc/51/85/82/462518582.db2.gz PSQLKZYOCIIILO-HSALFYBXSA-N 2 0 343.515 3.017 10 0 EGAERP CC(C)N1C[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)[C@@H](C)C1 ZINC000181283289 529107111 /nfs/dbraw/zinc/10/71/11/529107111.db2.gz XRNBPBNCEAYIOW-ZWOKBUDYSA-N 2 0 333.520 3.006 10 0 EGAERP COCC[C@H]1CCCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000344886622 536825046 /nfs/dbraw/zinc/82/50/46/536825046.db2.gz HKHCREVDTQMMRJ-QGZVFWFLSA-N 2 0 328.460 3.214 10 0 EGAERP CCCn1ccnc1CCC[N@H+](C)Cc1cnn(CC(F)(F)F)c1 ZINC000349144758 547640029 /nfs/dbraw/zinc/64/00/29/547640029.db2.gz DDSMVZQAAGBGAV-UHFFFAOYSA-N 2 0 343.397 3.117 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cnn(CC(F)(F)F)c2)CC1 ZINC000350213719 547657179 /nfs/dbraw/zinc/65/71/79/547657179.db2.gz BHSWBOODENFMQK-UHFFFAOYSA-N 2 0 346.441 3.389 10 0 EGAERP C[C@@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000675926496 549006099 /nfs/dbraw/zinc/00/60/99/549006099.db2.gz BPLDYMWYSJMOKC-DLBZAZTESA-N 2 0 327.472 3.476 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000682077312 550070063 /nfs/dbraw/zinc/07/00/63/550070063.db2.gz OZHAXJXEPKRAMV-FQEVSTJZSA-N 2 0 327.516 3.023 10 0 EGAERP Cc1nn(C)c(Cl)c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000728686775 574766756 /nfs/dbraw/zinc/76/67/56/574766756.db2.gz XOOYTGLYNHLPLD-INIZCTEOSA-N 2 0 338.927 3.470 10 0 EGAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(Cl)c3Br)C[C@H]12 ZINC000719432406 1298317196 /nfs/dbraw/zinc/31/71/96/1298317196.db2.gz AJSSHAAGYFRUSY-XHVZSJERSA-N 2 0 329.669 3.272 10 0 EGAERP C[C@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)C[NH+]1CCCC1 ZINC000069752107 1292250331 /nfs/dbraw/zinc/25/03/31/1292250331.db2.gz ANWOBKPXWSZLFD-GOSISDBHSA-N 2 0 339.483 3.482 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Cl)c(Cl)c2)CC1 ZINC000078893190 1292533469 /nfs/dbraw/zinc/53/34/69/1292533469.db2.gz GNEWZJCUUXWFAS-UHFFFAOYSA-N 2 0 330.303 3.109 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000098173159 1292965506 /nfs/dbraw/zinc/96/55/06/1292965506.db2.gz CTUGOZIRLOQDKZ-HNNXBMFYSA-N 2 0 330.394 3.449 10 0 EGAERP COC[C@@H](C)[NH+]1CCC(CCn2c(C)c[nH+]c2C2CCOCC2)CC1 ZINC000257189638 1296584740 /nfs/dbraw/zinc/58/47/40/1296584740.db2.gz JIUUQLPUTJCPAZ-QGZVFWFLSA-N 2 0 349.519 3.223 10 0 EGAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872021003 1296664079 /nfs/dbraw/zinc/66/40/79/1296664079.db2.gz MLURMNPDZHZDTG-MJGOQNOKSA-N 2 0 334.479 3.236 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCOC1 ZINC000872068565 1296714902 /nfs/dbraw/zinc/71/49/02/1296714902.db2.gz IBUFRXIBSVIUJT-WIYYLYMNSA-N 2 0 346.515 3.454 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(O)c1F ZINC000872085077 1296725831 /nfs/dbraw/zinc/72/58/31/1296725831.db2.gz NIUFXHLPARFYHU-AWEZNQCLSA-N 2 0 336.451 3.073 10 0 EGAERP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000310966953 1297103533 /nfs/dbraw/zinc/10/35/33/1297103533.db2.gz CNKPTTFKQMAAGG-AQNXPRMDSA-N 2 0 344.499 3.220 10 0 EGAERP COC(=O)[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397617589 1297700820 /nfs/dbraw/zinc/70/08/20/1297700820.db2.gz HPXVIFJHDIZVMU-WOJBJXKFSA-N 2 0 344.499 3.220 10 0 EGAERP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000715281134 1298280704 /nfs/dbraw/zinc/28/07/04/1298280704.db2.gz XYMQFRQSHYHOET-MWXLCCTBSA-N 3 0 329.532 3.361 10 0 EGAERP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c2c(c1)COCC2 ZINC000883081537 1302237118 /nfs/dbraw/zinc/23/71/18/1302237118.db2.gz HTVFMDJYZUFSNW-UHFFFAOYSA-N 2 0 337.467 3.161 10 0 EGAERP C[C@@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1cccnc1 ZINC000894161570 1306253769 /nfs/dbraw/zinc/25/37/69/1306253769.db2.gz UIRHPESTRNZKSL-GFCCVEGCSA-N 2 0 349.381 3.316 10 0 EGAERP C[C@H](NCc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1cccnc1 ZINC000894161572 1306254780 /nfs/dbraw/zinc/25/47/80/1306254780.db2.gz UIRHPESTRNZKSL-LBPRGKRZSA-N 2 0 349.381 3.316 10 0 EGAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1COCC1(C)C ZINC000894288984 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YRISDDPUZDQKJR-RTBURBONSA-N 2 0 336.483 3.119 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc1 ZINC000897817848 1310478187 /nfs/dbraw/zinc/47/81/87/1310478187.db2.gz BROALDJEGAEKFW-UTNDXIFNSA-N 2 0 338.495 3.053 10 0 EGAERP Cc1nc(C)c(C[NH2+][C@](C)(CO)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000929667917 1328663384 /nfs/dbraw/zinc/66/33/84/1328663384.db2.gz DWBVSJUKVCNHTK-OAHLLOKOSA-N 2 0 327.350 3.043 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@@H](CN2CCC[C@H]([NH+]3CCCC3)CC2)O1 ZINC000929685458 1328668427 /nfs/dbraw/zinc/66/84/27/1328668427.db2.gz BGIZEVIMBOLZSP-JYJNAYRXSA-N 2 0 334.426 3.437 10 0 EGAERP C[C@@H]1[C@H](C(=O)Nc2ccc(C[NH+](C)C)c(C(F)(F)F)c2)CC[N@@H+]1C ZINC000899671807 1317129573 /nfs/dbraw/zinc/12/95/73/1317129573.db2.gz DJZAWAANDDFMNN-BXUZGUMPSA-N 2 0 343.393 3.046 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1(C)C ZINC000858180174 1328705173 /nfs/dbraw/zinc/70/51/73/1328705173.db2.gz MJMWMPJNSLWUKS-SOUVJXGZSA-N 2 0 339.524 3.141 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000913397414 1319025540 /nfs/dbraw/zinc/02/55/40/1319025540.db2.gz HOWGLRTWONXQMS-SFHVURJKSA-N 2 0 331.504 3.012 10 0 EGAERP c1cc(CCN2CC[C@@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000930458125 1328861792 /nfs/dbraw/zinc/86/17/92/1328861792.db2.gz RPKVAZHETUMZJF-LJQANCHMSA-N 2 0 327.497 3.284 10 0 EGAERP CC1(C)OCC[C@@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@H]1CCOC1(C)C ZINC000859321676 1328968190 /nfs/dbraw/zinc/96/81/90/1328968190.db2.gz PJYZYQOUHASTSD-HOTGVXAUSA-N 2 0 342.600 3.009 10 0 EGAERP O=c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCCCC3)c2)cc[nH]1 ZINC000921631714 1322366828 /nfs/dbraw/zinc/36/68/28/1322366828.db2.gz XOUHZBAVUWRISK-UHFFFAOYSA-N 2 0 325.456 3.453 10 0 EGAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000922732670 1322605046 /nfs/dbraw/zinc/60/50/46/1322605046.db2.gz UKEZROPVFOSVPX-DOTOQJQBSA-N 2 0 342.405 3.449 10 0 EGAERP FC1(F)[C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)[C@@H]1c1ccccc1 ZINC000922772690 1322614768 /nfs/dbraw/zinc/61/47/68/1322614768.db2.gz OGUYVUUPZQPNON-ROUUACIJSA-N 2 0 340.377 3.406 10 0 EGAERP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449146 1322753528 /nfs/dbraw/zinc/75/35/28/1322753528.db2.gz KJCKRQFXVQSPNZ-XJKSGUPXSA-N 2 0 340.414 3.179 10 0 EGAERP C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@H]1C[NH3+] ZINC000923502288 1322763784 /nfs/dbraw/zinc/76/37/84/1322763784.db2.gz YPHRRILHAKFMAQ-RYUDHWBXSA-N 2 0 344.286 3.239 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(OC)n1 ZINC000924704593 1323123051 /nfs/dbraw/zinc/12/30/51/1323123051.db2.gz QYDQKCAYSONSHY-SFHVURJKSA-N 2 0 343.471 3.272 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000924954024 1323227205 /nfs/dbraw/zinc/22/72/05/1323227205.db2.gz SQYICOMKDZRFJN-STQMWFEESA-N 2 0 349.466 3.301 10 0 EGAERP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000925013126 1323245593 /nfs/dbraw/zinc/24/55/93/1323245593.db2.gz YPGRWTIVHHPNBD-IUODEOHRSA-N 2 0 338.293 3.153 10 0 EGAERP C[NH+](C)C1(C)CC[NH+](CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000931356446 1329101093 /nfs/dbraw/zinc/10/10/93/1329101093.db2.gz XQZAQEOSZCQXOY-INIZCTEOSA-N 2 0 339.524 3.050 10 0 EGAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCCc4cccnc4)C[C@H]3C2)cc1 ZINC000931747502 1329176613 /nfs/dbraw/zinc/17/66/13/1329176613.db2.gz RKMBRVCZKQZRMB-VXKWHMMOSA-N 2 0 335.495 3.468 10 0 EGAERP C[C@@H]1OC[C@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)[C@@H]1C ZINC000925135816 1325059947 /nfs/dbraw/zinc/05/99/47/1325059947.db2.gz ZFCFHSDATFQDTJ-GUXCAODWSA-N 2 0 328.456 3.425 10 0 EGAERP CC[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC)n1 ZINC000925300984 1325118427 /nfs/dbraw/zinc/11/84/27/1325118427.db2.gz QLVYGPGASIKBAT-SFHVURJKSA-N 2 0 340.471 3.443 10 0 EGAERP Cc1noc(CC[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000925359121 1325129961 /nfs/dbraw/zinc/12/99/61/1325129961.db2.gz NHUJHEJFJYTYLP-YQQQUEKLSA-N 2 0 340.471 3.096 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000925476279 1325167167 /nfs/dbraw/zinc/16/71/67/1325167167.db2.gz HHVYOUNMUGFQOQ-RBUKOAKNSA-N 2 0 346.515 3.378 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)c2c1 ZINC000925485495 1325170930 /nfs/dbraw/zinc/17/09/30/1325170930.db2.gz CVHWPGDRFJYBJZ-AYOQOUSVSA-N 2 0 327.472 3.085 10 0 EGAERP COc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000925509369 1325183157 /nfs/dbraw/zinc/18/31/57/1325183157.db2.gz MLFVDQYVCALBSL-GGPKGHCWSA-N 2 0 345.531 3.328 10 0 EGAERP CC1(C)C[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925519786 1325188000 /nfs/dbraw/zinc/18/80/00/1325188000.db2.gz JTLJHHSCJBNFPN-ZCNNSNEGSA-N 2 0 329.532 3.394 10 0 EGAERP Cc1cccc2oc(CC[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)nc21 ZINC000925525324 1325191224 /nfs/dbraw/zinc/19/12/24/1325191224.db2.gz BRLVHEYKUYGMKZ-IAGOWNOFSA-N 2 0 327.472 3.437 10 0 EGAERP COc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536322 1325196665 /nfs/dbraw/zinc/19/66/65/1325196665.db2.gz CZLGGIGIKACACM-OLZOCXBDSA-N 2 0 328.403 3.292 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)C12CCC2 ZINC000925542559 1325200569 /nfs/dbraw/zinc/20/05/69/1325200569.db2.gz HVAXWOAKFBDMDU-KURKYZTESA-N 2 0 333.907 3.336 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548992 1325202322 /nfs/dbraw/zinc/20/23/22/1325202322.db2.gz WBHODQCPVQCNOO-MOPGFXCFSA-N 2 0 334.504 3.235 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(O[C@H]2CCOC2)c1 ZINC000925553774 1325205527 /nfs/dbraw/zinc/20/55/27/1325205527.db2.gz VQRRHHCIKGDCIW-KURKYZTESA-N 2 0 332.488 3.158 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccc(Cl)cc3)CCOCC2)C12CCC2 ZINC000925584299 1325221114 /nfs/dbraw/zinc/22/11/14/1325221114.db2.gz KUXOBGBCSPZVOM-DLBZAZTESA-N 2 0 334.891 3.248 10 0 EGAERP COC(=O)c1nc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1Cl ZINC000925709588 1325266712 /nfs/dbraw/zinc/26/67/12/1325266712.db2.gz GYZXHLILWJHVAT-INIZCTEOSA-N 2 0 347.846 3.091 10 0 EGAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925708764 1325266994 /nfs/dbraw/zinc/26/69/94/1325266994.db2.gz DEGTVANZMVNFNB-UMGGQSCQSA-N 2 0 345.531 3.026 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925738505 1325275759 /nfs/dbraw/zinc/27/57/59/1325275759.db2.gz XKXORWHROMTLFP-RBUKOAKNSA-N 2 0 332.488 3.032 10 0 EGAERP CCOc1ccc([C@@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000925780205 1325298786 /nfs/dbraw/zinc/29/87/86/1325298786.db2.gz SBSHVMYEYJVSDR-UKRRQHHQSA-N 2 0 342.430 3.379 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1CCc2sc(Br)cc21 ZINC000925803793 1325307735 /nfs/dbraw/zinc/30/77/35/1325307735.db2.gz VOJDNSFPZURVAS-CKYFFXLPSA-N 2 0 329.307 3.333 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccs1 ZINC000925808030 1325310331 /nfs/dbraw/zinc/31/03/31/1325310331.db2.gz JLRZTEKEAPWZGP-GOSISDBHSA-N 2 0 329.513 3.394 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(SCC(F)F)cc1 ZINC000925812660 1325312176 /nfs/dbraw/zinc/31/21/76/1325312176.db2.gz XWPREQSQBRZAAS-CYBMUJFWSA-N 2 0 343.487 3.118 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)cs1 ZINC000925817859 1325314487 /nfs/dbraw/zinc/31/44/87/1325314487.db2.gz RXHUTAYUDDCIFT-MRXNPFEDSA-N 2 0 329.513 3.313 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925854133 1325332198 /nfs/dbraw/zinc/33/21/98/1325332198.db2.gz KWWTVUMHPTVOPA-HOTGVXAUSA-N 2 0 336.863 3.066 10 0 EGAERP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000925875402 1325338904 /nfs/dbraw/zinc/33/89/04/1325338904.db2.gz GNOVFBBOITXPTC-LNSITVRQSA-N 2 0 333.867 3.007 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000925883080 1325341965 /nfs/dbraw/zinc/34/19/65/1325341965.db2.gz UECYNNFNONGBLO-WRTQPQOASA-N 3 0 327.516 3.004 10 0 EGAERP COc1ccc2c(c1)C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)CC2 ZINC000925886563 1325342867 /nfs/dbraw/zinc/34/28/67/1325342867.db2.gz HVBOYPSTSJTCTJ-SJBKTWHCSA-N 2 0 336.479 3.201 10 0 EGAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000926123215 1325437256 /nfs/dbraw/zinc/43/72/56/1325437256.db2.gz BFAVBFMFPJAVOL-HKBOAZHASA-N 2 0 348.531 3.063 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000926269734 1325498211 /nfs/dbraw/zinc/49/82/11/1325498211.db2.gz NXHIDCRPTUHJGO-IBGZPJMESA-N 2 0 332.536 3.421 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n(C)n1 ZINC000926337462 1325519844 /nfs/dbraw/zinc/51/98/44/1325519844.db2.gz PFNFBXHOFMFVTN-OQUMVOOASA-N 2 0 330.520 3.046 10 0 EGAERP COc1ccccc1[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1ccccn1 ZINC000926665505 1327657405 /nfs/dbraw/zinc/65/74/05/1327657405.db2.gz GCFIGNRDXCJWML-GQIGUUNPSA-N 2 0 325.456 3.109 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000927036361 1327827019 /nfs/dbraw/zinc/82/70/19/1327827019.db2.gz ANSPJUYAPJKXSD-SSDNSZEISA-N 2 0 334.529 3.482 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2cc(SC(F)F)ccc21 ZINC000863544392 1329562390 /nfs/dbraw/zinc/56/23/90/1329562390.db2.gz SJVYOLYDCNAWBE-OAHLLOKOSA-N 2 0 330.444 3.204 10 0 EGAERP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc([C@@H](C)C[NH2+]C)no1 ZINC000863657847 1329571182 /nfs/dbraw/zinc/57/11/82/1329571182.db2.gz XBLUUMYAPFHDCD-CGTJXYLNSA-N 2 0 342.487 3.408 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865510290 1329707205 /nfs/dbraw/zinc/70/72/05/1329707205.db2.gz ZIFJFTNDJBXTOK-UHFFFAOYSA-N 2 0 343.515 3.133 10 0 EGAERP COCCCOc1cccc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000865765569 1329736487 /nfs/dbraw/zinc/73/64/87/1329736487.db2.gz AIEQBECZQYEIBO-UHFFFAOYSA-N 2 0 334.504 3.454 10 0 EGAERP CC[C@@H]1C[C@H](C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865774392 1329736823 /nfs/dbraw/zinc/73/68/23/1329736823.db2.gz VECNHLABLBPXPZ-UYAOXDASSA-N 2 0 330.516 3.445 10 0 EGAERP CN1Cc2ccccc2[C@@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000865806921 1329740448 /nfs/dbraw/zinc/74/04/48/1329740448.db2.gz UJUSBLBXDFIDQF-QHCPKHFHSA-N 2 0 349.522 3.470 10 0 EGAERP C[NH+](C)C[C@@H]1CN(c2ccnc3c(Cl)cccc23)C[C@H]1C[NH+](C)C ZINC000866012224 1329759067 /nfs/dbraw/zinc/75/90/67/1329759067.db2.gz USDCYJYZMUHSEJ-HUUCEWRRSA-N 2 0 346.906 3.064 10 0 EGAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866231033 1330081516 /nfs/dbraw/zinc/08/15/16/1330081516.db2.gz LXRKANISBIUMNJ-NRFANRHFSA-N 2 0 337.511 3.444 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000866238282 1330083375 /nfs/dbraw/zinc/08/33/75/1330083375.db2.gz ONIXLAXJQYVTFS-PMACEKPBSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000866517599 1330120837 /nfs/dbraw/zinc/12/08/37/1330120837.db2.gz JRQJHVQGGMBOLH-LSJNQWAISA-N 2 0 327.476 3.181 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000866516925 1330121112 /nfs/dbraw/zinc/12/11/12/1330121112.db2.gz DVHSBVOZMHBJIT-XRTORIHISA-N 2 0 344.503 3.130 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001323000820 1387263411 /nfs/dbraw/zinc/26/34/11/1387263411.db2.gz QWZRULJZFDZLMT-UYAOXDASSA-N 2 0 347.547 3.092 10 0 EGAERP C[C@@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001323083247 1387285547 /nfs/dbraw/zinc/28/55/47/1387285547.db2.gz YJTJLMAVTUZJCQ-FXAWDEMLSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001323111637 1387293173 /nfs/dbraw/zinc/29/31/73/1387293173.db2.gz CPTPXFDDHYGHIE-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@H]1CC ZINC001323158765 1387304212 /nfs/dbraw/zinc/30/42/12/1387304212.db2.gz IYYUNWBJECRLIP-PORCLINASA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001323519488 1387380695 /nfs/dbraw/zinc/38/06/95/1387380695.db2.gz OANJJECFNUEDAR-GOSISDBHSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH+](CC2CCC2)C1 ZINC001323642680 1387415980 /nfs/dbraw/zinc/41/59/80/1387415980.db2.gz NWPKSNCGJJPYPJ-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323641551 1387415562 /nfs/dbraw/zinc/41/55/62/1387415562.db2.gz KCEKVIZDYZAUAB-XOUUWWQPSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816099 1387467173 /nfs/dbraw/zinc/46/71/73/1387467173.db2.gz MQJNYZDILVFXRW-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1)[NH+](CC)CC ZINC001324224681 1387561829 /nfs/dbraw/zinc/56/18/29/1387561829.db2.gz DMTWQTAZADTNNH-MOPGFXCFSA-N 2 0 349.494 3.027 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001324667941 1387724724 /nfs/dbraw/zinc/72/47/24/1387724724.db2.gz BMNYKMBTFWYQBX-NRFANRHFSA-N 2 0 345.531 3.116 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001324817903 1387782999 /nfs/dbraw/zinc/78/29/99/1387782999.db2.gz OUCUHHBWTNLPIZ-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001324903613 1387812428 /nfs/dbraw/zinc/81/24/28/1387812428.db2.gz BITFPHCXNNSDRI-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC1(C)CC[C@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)OC1 ZINC001193990742 1368162009 /nfs/dbraw/zinc/16/20/09/1368162009.db2.gz QHLKCFIBIHZFMT-HSALFYBXSA-N 2 0 328.500 3.255 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001325349534 1387945588 /nfs/dbraw/zinc/94/55/88/1387945588.db2.gz DUDYDQATSSJVSW-UFYCRDLUSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001325402972 1387961588 /nfs/dbraw/zinc/96/15/88/1387961588.db2.gz AADNTVOHXLDDGG-JKSUJKDBSA-N 2 0 349.544 3.216 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001325445987 1387974535 /nfs/dbraw/zinc/97/45/35/1387974535.db2.gz CMSKKZILDUHHOM-FXAWDEMLSA-N 2 0 343.515 3.155 10 0 EGAERP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001325633525 1388019621 /nfs/dbraw/zinc/01/96/21/1388019621.db2.gz ZWPNRGVOYHGFBF-HMJJTSSQSA-N 2 0 347.547 3.186 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001325918097 1388082198 /nfs/dbraw/zinc/08/21/98/1388082198.db2.gz DPDNZOMEPKZYAE-AWTIPJNISA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001326021702 1388102079 /nfs/dbraw/zinc/10/20/79/1388102079.db2.gz MPWWZAVAVNWDER-FQEVSTJZSA-N 2 0 347.478 3.433 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])CCCC1)c1ccccc1 ZINC001326687776 1388283370 /nfs/dbraw/zinc/28/33/70/1388283370.db2.gz LBCWERUNANQJLJ-QXAKKESOSA-N 2 0 343.515 3.284 10 0 EGAERP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC001327106435 1388382037 /nfs/dbraw/zinc/38/20/37/1388382037.db2.gz BJNONDKFJJBZNV-PMACEKPBSA-N 2 0 343.515 3.417 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001327128852 1388392749 /nfs/dbraw/zinc/39/27/49/1388392749.db2.gz CXVGCJZCMAAZTF-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)CCCC(C)(C)C)CC1 ZINC001265947006 1377173030 /nfs/dbraw/zinc/17/30/30/1377173030.db2.gz UHTALKIWALBRCR-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001266221868 1377234123 /nfs/dbraw/zinc/23/41/23/1377234123.db2.gz JTMXIYUYMKFOOO-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001266285295 1377258863 /nfs/dbraw/zinc/25/88/63/1377258863.db2.gz UEJHFKLSKAPZGY-SFHVURJKSA-N 2 0 347.528 3.036 10 0 EGAERP CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC001135926520 1377265519 /nfs/dbraw/zinc/26/55/19/1377265519.db2.gz LCRPBJKRQNFVQD-AQNXPRMDSA-N 2 0 345.531 3.088 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001266489429 1377320047 /nfs/dbraw/zinc/32/00/47/1377320047.db2.gz DVRGQXZTXRSSIH-QRVBRYPASA-N 2 0 335.536 3.116 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001327299938 1388491840 /nfs/dbraw/zinc/49/18/40/1388491840.db2.gz RDSJKKVNVXNQFR-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267047139 1377408342 /nfs/dbraw/zinc/40/83/42/1377408342.db2.gz HYANOACHFWKTPC-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001267071442 1377409987 /nfs/dbraw/zinc/40/99/87/1377409987.db2.gz UWEFPHIJRMGILC-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001267089934 1377411691 /nfs/dbraw/zinc/41/16/91/1377411691.db2.gz GWNHRCNJIDBRNV-MOPGFXCFSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001267090077 1377411861 /nfs/dbraw/zinc/41/18/61/1377411861.db2.gz UVKMWRODTNMCTG-UXHICEINSA-N 2 0 345.531 3.279 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001267171037 1377421757 /nfs/dbraw/zinc/42/17/57/1377421757.db2.gz CBDUKZUBQHMYOQ-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001267176731 1377423763 /nfs/dbraw/zinc/42/37/63/1377423763.db2.gz MDGIJLMWKHEUDQ-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)C(C)C ZINC001267510226 1377449324 /nfs/dbraw/zinc/44/93/24/1377449324.db2.gz HKLLZRAFZGROGQ-IBGZPJMESA-N 2 0 337.552 3.432 10 0 EGAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267807471 1377470743 /nfs/dbraw/zinc/47/07/43/1377470743.db2.gz XFYVWZULAOEETK-VQTJNVASSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001267831525 1377473323 /nfs/dbraw/zinc/47/33/23/1377473323.db2.gz RGFPBPOCWOTFOC-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001267873871 1377476212 /nfs/dbraw/zinc/47/62/12/1377476212.db2.gz MRGWDWOFFZZYHD-TZIWHRDSSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001269085123 1377537942 /nfs/dbraw/zinc/53/79/42/1377537942.db2.gz RBFFGLFBCFMEEY-RBUKOAKNSA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2C)C1)[NH+](C)C ZINC001269740385 1377568593 /nfs/dbraw/zinc/56/85/93/1377568593.db2.gz FOWWZYZWGDEJIE-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001270966221 1377619800 /nfs/dbraw/zinc/61/98/00/1377619800.db2.gz WBADXIRPMGXINU-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001272344196 1377666158 /nfs/dbraw/zinc/66/61/58/1377666158.db2.gz RSTUZTMQTSROOK-PMACEKPBSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001281834497 1378454870 /nfs/dbraw/zinc/45/48/70/1378454870.db2.gz ZYELUBHQFQEYHP-HCZHMGAMSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[NH2+]C1CCC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001282275233 1378494223 /nfs/dbraw/zinc/49/42/23/1378494223.db2.gz VPISFGJYFLQUES-MHJFOBGBSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001282676424 1378546121 /nfs/dbraw/zinc/54/61/21/1378546121.db2.gz SZRQPLHGVJEBJQ-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCC1)[NH+](C)C ZINC001282678222 1378550398 /nfs/dbraw/zinc/55/03/98/1378550398.db2.gz PQTPNIZFXQXNOY-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001282740828 1378592149 /nfs/dbraw/zinc/59/21/49/1378592149.db2.gz PIHLNGOQSHRRBT-RJCMGOLDSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)CC1(C)C ZINC001282830941 1378632187 /nfs/dbraw/zinc/63/21/87/1378632187.db2.gz CNYGBXWACXXZAJ-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001283186983 1378756518 /nfs/dbraw/zinc/75/65/18/1378756518.db2.gz RLCXEJFELJRVOI-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[N@H+](C)C1CCC1 ZINC001283188512 1378757154 /nfs/dbraw/zinc/75/71/54/1378757154.db2.gz IBOWIPSJKPXUSK-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC(C)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001283234074 1378767944 /nfs/dbraw/zinc/76/79/44/1378767944.db2.gz YYHWDLDNSZWMLS-LXPRWKDFSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001283423913 1378913316 /nfs/dbraw/zinc/91/33/16/1378913316.db2.gz HLMUVOHWHHPPTB-VQTJNVASSA-N 2 0 343.515 3.274 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001283623970 1379061746 /nfs/dbraw/zinc/06/17/46/1379061746.db2.gz XUGPRTLQKPWZJR-VQIMIIECSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001283664966 1379094279 /nfs/dbraw/zinc/09/42/79/1379094279.db2.gz QQKUNWPLCXJRFW-QZTJIDSGSA-N 2 0 345.531 3.143 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001284034741 1379385047 /nfs/dbraw/zinc/38/50/47/1379385047.db2.gz VBZSMFOEHSVGSF-AJWBFMOXSA-N 2 0 343.515 3.297 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001284066233 1379423757 /nfs/dbraw/zinc/42/37/57/1379423757.db2.gz FUWDFMVCEZNRMS-WHIUHWMMSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001284558488 1379967247 /nfs/dbraw/zinc/96/72/47/1379967247.db2.gz MTPRAJKHGFCHHF-HDICACEKSA-N 2 0 339.568 3.464 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001284558487 1379967431 /nfs/dbraw/zinc/96/74/31/1379967431.db2.gz MPDQEAOOSQAQTD-WMZOPIPTSA-N 2 0 349.494 3.007 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597603 1379998780 /nfs/dbraw/zinc/99/87/80/1379998780.db2.gz IVQQYDUVDKOFPH-RBUKOAKNSA-N 2 0 349.563 3.482 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001284604615 1380004611 /nfs/dbraw/zinc/00/46/11/1380004611.db2.gz RTGVVAXKZJPHCY-QGZVFWFLSA-N 2 0 330.476 3.177 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001284618768 1380018271 /nfs/dbraw/zinc/01/82/71/1380018271.db2.gz NFLSSMVXRPCKNV-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001284643502 1380051133 /nfs/dbraw/zinc/05/11/33/1380051133.db2.gz UGDGNLQCVVGFOM-RTBURBONSA-N 2 0 347.547 3.210 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001284653443 1380068867 /nfs/dbraw/zinc/06/88/67/1380068867.db2.gz RWNZDDDHLKUYML-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001284702484 1380117907 /nfs/dbraw/zinc/11/79/07/1380117907.db2.gz PFVLQUGBNNMPRG-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001284815202 1380240326 /nfs/dbraw/zinc/24/03/26/1380240326.db2.gz HHCNWOGJIMTXBP-UHFFFAOYSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001284818200 1380243593 /nfs/dbraw/zinc/24/35/93/1380243593.db2.gz ATILFTBAEMSUDS-UHFFFAOYSA-N 2 0 345.531 3.377 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC001158078193 1381122483 /nfs/dbraw/zinc/12/24/83/1381122483.db2.gz LYOWNRWJEUBQPL-MRXNPFEDSA-N 2 0 337.552 3.218 10 0 EGAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC001291619470 1382145395 /nfs/dbraw/zinc/14/53/95/1382145395.db2.gz BMZXZNLMMZDYFS-KRWDZBQOSA-N 2 0 331.504 3.445 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001328509830 1388768228 /nfs/dbraw/zinc/76/82/28/1388768228.db2.gz OLUBQYTZQWTKDQ-SREVYHEPSA-N 2 0 349.563 3.389 10 0 EGAERP CC[N@H+](CC(C)C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001328577063 1388779269 /nfs/dbraw/zinc/77/92/69/1388779269.db2.gz BBTCABHTIRCYLF-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](F)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001328796496 1388867057 /nfs/dbraw/zinc/86/70/57/1388867057.db2.gz IIXLAOURQIKEDM-RTBURBONSA-N 2 0 349.494 3.033 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001316709249 1384533102 /nfs/dbraw/zinc/53/31/02/1384533102.db2.gz RXVVIOKGEFGDEU-QRVBRYPASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+]CCC(C)(C)C ZINC001316714331 1384535330 /nfs/dbraw/zinc/53/53/30/1384535330.db2.gz NILMSLOLGIASNA-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C(C)C ZINC001316718100 1384536223 /nfs/dbraw/zinc/53/62/23/1384536223.db2.gz APKQDKNODDINGT-MNFUMMEQSA-N 2 0 349.563 3.288 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001316755756 1384561877 /nfs/dbraw/zinc/56/18/77/1384561877.db2.gz MNDNTVKSEWOHRM-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001316785674 1384580607 /nfs/dbraw/zinc/58/06/07/1384580607.db2.gz FAVQLCOKTNZQAA-QRVBRYPASA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316809214 1384603801 /nfs/dbraw/zinc/60/38/01/1384603801.db2.gz AQYKVSHUNRZARQ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C2)c1 ZINC001316811988 1384610463 /nfs/dbraw/zinc/61/04/63/1384610463.db2.gz QXHLUZACASEWRE-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001316883244 1384666896 /nfs/dbraw/zinc/66/68/96/1384666896.db2.gz XAGTVFJMGPTVCQ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316980387 1384738979 /nfs/dbraw/zinc/73/89/79/1384738979.db2.gz JFPOANRNUCJXJJ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001316999021 1384756559 /nfs/dbraw/zinc/75/65/59/1384756559.db2.gz SRIDBAIDXJTKGW-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C(C)C)CC1 ZINC001317006313 1384768460 /nfs/dbraw/zinc/76/84/60/1384768460.db2.gz RYUXZEDQXBCHLR-PKOBYXMFSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001317007044 1384769504 /nfs/dbraw/zinc/76/95/04/1384769504.db2.gz MYMIJKLRNPJNMG-LJQANCHMSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030570 1384798075 /nfs/dbraw/zinc/79/80/75/1384798075.db2.gz UZNUNIBGPQHNLF-PXNSSMCTSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317081178 1384844882 /nfs/dbraw/zinc/84/48/82/1384844882.db2.gz MHRJEMGIJLCQIY-QAQDUYKDSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001317158408 1384922717 /nfs/dbraw/zinc/92/27/17/1384922717.db2.gz SMBCSABDDZTBFK-GOSISDBHSA-N 2 0 345.531 3.090 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317177716 1384951366 /nfs/dbraw/zinc/95/13/66/1384951366.db2.gz UHJNUVSJJBIHTN-KPDZFXRVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001317185796 1384960472 /nfs/dbraw/zinc/96/04/72/1384960472.db2.gz BYGGEMXUGIGPNG-KRWDZBQOSA-N 2 0 349.544 3.360 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001317190938 1384965092 /nfs/dbraw/zinc/96/50/92/1384965092.db2.gz SPVUNVHKTJRHJL-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001317193508 1384967727 /nfs/dbraw/zinc/96/77/27/1384967727.db2.gz FXBMMAPSWSESQP-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317194615 1384968903 /nfs/dbraw/zinc/96/89/03/1384968903.db2.gz ZNBDQNYEBHEPAN-SFFCAUCYSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001317195133 1384969221 /nfs/dbraw/zinc/96/92/21/1384969221.db2.gz MAVOTSUQYHKMIJ-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001317195594 1384969522 /nfs/dbraw/zinc/96/95/22/1384969522.db2.gz QUCHFNMJIGIFGF-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317212444 1384991993 /nfs/dbraw/zinc/99/19/93/1384991993.db2.gz SRWOULZVEQMWSE-WUMCHEGQSA-N 2 0 347.547 3.042 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)[NH2+][C@@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001317255662 1385026213 /nfs/dbraw/zinc/02/62/13/1385026213.db2.gz BFBYNXXMQQLJFH-VBKZILBWSA-N 2 0 348.450 3.038 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001317342746 1385094070 /nfs/dbraw/zinc/09/40/70/1385094070.db2.gz HXZFOGHAXAQNMF-RBUKOAKNSA-N 2 0 345.531 3.226 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001317346778 1385096935 /nfs/dbraw/zinc/09/69/35/1385096935.db2.gz YZBDPPSJWCJLAS-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001317403511 1385117112 /nfs/dbraw/zinc/11/71/12/1385117112.db2.gz ZLAUXIKKCRIIPO-QZTJIDSGSA-N 2 0 345.531 3.415 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001317429071 1385134110 /nfs/dbraw/zinc/13/41/10/1385134110.db2.gz FUEBXJVQSFXAEB-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)c1ccccc1Cl ZINC001317493086 1385194420 /nfs/dbraw/zinc/19/44/20/1385194420.db2.gz SCDHRMLKSOHWHO-OAHLLOKOSA-N 2 0 339.911 3.179 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001317530314 1385254973 /nfs/dbraw/zinc/25/49/73/1385254973.db2.gz VUNHLEZFWJEIRV-IBGZPJMESA-N 2 0 349.563 3.293 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001317530730 1385255704 /nfs/dbraw/zinc/25/57/04/1385255704.db2.gz ZBKDNOSDQSSSTD-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccc(C(C)C)cc1 ZINC001317714348 1385415872 /nfs/dbraw/zinc/41/58/72/1385415872.db2.gz PNOWYIFNHVUYHO-UXHICEINSA-N 2 0 345.531 3.451 10 0 EGAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317797296 1385491664 /nfs/dbraw/zinc/49/16/64/1385491664.db2.gz MSGKBZYLLMCDNP-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001317808120 1385504134 /nfs/dbraw/zinc/50/41/34/1385504134.db2.gz CJWYHLHTZXTCPQ-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001317856933 1385541366 /nfs/dbraw/zinc/54/13/66/1385541366.db2.gz LDKYPNMTGPZUGP-HXUWFJFHSA-N 2 0 345.531 3.007 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001317861406 1385545190 /nfs/dbraw/zinc/54/51/90/1385545190.db2.gz ABBVAZNADXWHKR-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317861865 1385545858 /nfs/dbraw/zinc/54/58/58/1385545858.db2.gz FFDIDENLEJXPBG-COJDAZNPSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001317972808 1385594057 /nfs/dbraw/zinc/59/40/57/1385594057.db2.gz LMWHOFICQQMWMY-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001318636121 1385808145 /nfs/dbraw/zinc/80/81/45/1385808145.db2.gz LVBPTJATZDWYCB-QGZVFWFLSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318637027 1385809417 /nfs/dbraw/zinc/80/94/17/1385809417.db2.gz UOXGKAQNWDXXFT-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001318653065 1385816447 /nfs/dbraw/zinc/81/64/47/1385816447.db2.gz NKLLBWKEYKJLIW-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)CC[C@H]2CCC[N@H+]2C)cc1 ZINC001318996136 1385915925 /nfs/dbraw/zinc/91/59/25/1385915925.db2.gz NUCVDYVBQSUYDR-HXUWFJFHSA-N 2 0 343.515 3.233 10 0 EGAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CCC(C)(C)C ZINC001319285414 1386042492 /nfs/dbraw/zinc/04/24/92/1386042492.db2.gz MAQAEYUYEOINFP-INIZCTEOSA-N 2 0 333.520 3.140 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001319542192 1386170908 /nfs/dbraw/zinc/17/09/08/1386170908.db2.gz ZGTIUUXRJQUACS-AEFFLSMTSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001319592361 1386194616 /nfs/dbraw/zinc/19/46/16/1386194616.db2.gz JQFCXXNBUBGHQL-KRWDZBQOSA-N 2 0 345.531 3.231 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592306 1386194746 /nfs/dbraw/zinc/19/47/46/1386194746.db2.gz IPJVPIHKSKHWAK-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001319690146 1386253376 /nfs/dbraw/zinc/25/33/76/1386253376.db2.gz ICHZBWHJOHEXOD-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001319881874 1386357957 /nfs/dbraw/zinc/35/79/57/1386357957.db2.gz VAWMXIUGVZSMCS-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001319929714 1386397924 /nfs/dbraw/zinc/39/79/24/1386397924.db2.gz QUIZPNPCWMGHJV-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C)C1 ZINC001319934942 1386401688 /nfs/dbraw/zinc/40/16/88/1386401688.db2.gz GTJVPHFIBFVEIQ-MSOLQXFVSA-N 2 0 339.568 3.275 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001320103626 1386514571 /nfs/dbraw/zinc/51/45/71/1386514571.db2.gz LXDXWFNKJXZGRA-CQQBRXBZSA-N 2 0 347.547 3.140 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001698651095 1406300594 /nfs/dbraw/zinc/30/05/94/1406300594.db2.gz ITYVZHNIMJKIGY-FQEVSTJZSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001320186137 1386552707 /nfs/dbraw/zinc/55/27/07/1386552707.db2.gz SPEKCQBHDZITDF-RTBURBONSA-N 2 0 335.536 3.093 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001320475683 1386620439 /nfs/dbraw/zinc/62/04/39/1386620439.db2.gz ZMUGIJISPJZNST-ICSRJNTNSA-N 2 0 345.531 3.100 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CC2CCCCC2)C1 ZINC001320529273 1386638935 /nfs/dbraw/zinc/63/89/35/1386638935.db2.gz MBYXQZJAVYGWDZ-MJGOQNOKSA-N 2 0 337.552 3.173 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320891770 1386750263 /nfs/dbraw/zinc/75/02/63/1386750263.db2.gz RBPZJLVQQXBTRW-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001320928678 1386760943 /nfs/dbraw/zinc/76/09/43/1386760943.db2.gz LQDHVMWITOXOTC-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320929232 1386762273 /nfs/dbraw/zinc/76/22/73/1386762273.db2.gz RBDZILJDMAISCQ-IMTHGLKYSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1 ZINC001321134355 1386818616 /nfs/dbraw/zinc/81/86/16/1386818616.db2.gz CJDCFRCTIISWTI-MJIPRMEISA-N 2 0 343.515 3.130 10 0 EGAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001321661759 1386951227 /nfs/dbraw/zinc/95/12/27/1386951227.db2.gz BOJCWTOJQXTBGO-LIVJGKJPSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321848011 1386996029 /nfs/dbraw/zinc/99/60/29/1386996029.db2.gz CWJIACJOMYLUEY-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698693312 1406337803 /nfs/dbraw/zinc/33/78/03/1406337803.db2.gz BQONYUVFRCIYFU-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001322353054 1387167208 /nfs/dbraw/zinc/16/72/08/1387167208.db2.gz DNXHYLLDONTVAH-RTBURBONSA-N 2 0 337.552 3.173 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCCCC1 ZINC001322353051 1387167210 /nfs/dbraw/zinc/16/72/10/1387167210.db2.gz DNXHYLLDONTVAH-MOPGFXCFSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N(C)C(=O)OC(C)(C)C ZINC001322444135 1387187786 /nfs/dbraw/zinc/18/77/86/1387187786.db2.gz BDSKZAJYNNUMOZ-QBPKDAKJSA-N 2 0 339.524 3.094 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001329256460 1389037089 /nfs/dbraw/zinc/03/70/89/1389037089.db2.gz FUQVMXCNJYUESB-SOAGJPPSSA-N 2 0 349.563 3.432 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCCC1 ZINC001329460229 1389118389 /nfs/dbraw/zinc/11/83/89/1389118389.db2.gz PKLAOIDBDVMVON-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001698715286 1406358867 /nfs/dbraw/zinc/35/88/67/1406358867.db2.gz UQVIMJGSSIQGCP-LQJWVLPZSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329731774 1389210958 /nfs/dbraw/zinc/21/09/58/1389210958.db2.gz OBRVLAJJEUNDKH-BZUAXINKSA-N 2 0 339.524 3.094 10 0 EGAERP C[N@H+](CCC(=O)NC1(C[NH2+]CC2CC2)CCCCC1)C1CCCCC1 ZINC001329836750 1389233457 /nfs/dbraw/zinc/23/34/57/1389233457.db2.gz AFJYTVKKLIOPQT-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CCC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001329991235 1389280952 /nfs/dbraw/zinc/28/09/52/1389280952.db2.gz YECQRSZIJSNNEE-SFHVURJKSA-N 2 0 335.536 3.118 10 0 EGAERP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001330073089 1389299890 /nfs/dbraw/zinc/29/98/90/1389299890.db2.gz ZQWBTTFDHWEPEX-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]2C1 ZINC001330466181 1389420736 /nfs/dbraw/zinc/42/07/36/1389420736.db2.gz GXQWJDGGRYAXIA-OTWHNJEPSA-N 2 0 349.563 3.147 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001330470939 1389424332 /nfs/dbraw/zinc/42/43/32/1389424332.db2.gz UHNMBTHUHLTRPN-OTWHNJEPSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001330623705 1389474748 /nfs/dbraw/zinc/47/47/48/1389474748.db2.gz ZIKAWDFDPSJGLD-QAQDUYKDSA-N 2 0 342.487 3.177 10 0 EGAERP CC[N@@H+](Cc1c(C)ccnc1N)CC1CCN(c2ccccn2)CC1 ZINC001338236024 1389597629 /nfs/dbraw/zinc/59/76/29/1389597629.db2.gz XPFVOTAFMFCAFY-UHFFFAOYSA-N 2 0 339.487 3.106 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053783 1389612050 /nfs/dbraw/zinc/61/20/50/1389612050.db2.gz MSKWVOULUJWTHP-MJGOQNOKSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001698737356 1406389214 /nfs/dbraw/zinc/38/92/14/1406389214.db2.gz CWHGETWOPNRWCK-WAYWQWQTSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001331457923 1389756478 /nfs/dbraw/zinc/75/64/78/1389756478.db2.gz IGMQSWMIFDZYNL-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CCC1CCCC1 ZINC001698747172 1406398071 /nfs/dbraw/zinc/39/80/71/1406398071.db2.gz AUZVZIYZHVBSDM-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001331576253 1389809347 /nfs/dbraw/zinc/80/93/47/1389809347.db2.gz NQJAIYGWCNZJFS-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001331926658 1389914097 /nfs/dbraw/zinc/91/40/97/1389914097.db2.gz MJADZQAKFPKGSZ-LJJUJYJISA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001331943783 1389921034 /nfs/dbraw/zinc/92/10/34/1389921034.db2.gz KUSWBPHYGHLDEX-XLIONFOSSA-N 2 0 345.531 3.377 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001332033621 1389953506 /nfs/dbraw/zinc/95/35/06/1389953506.db2.gz VOOUDOGLAUAXEV-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001332046826 1389956391 /nfs/dbraw/zinc/95/63/91/1389956391.db2.gz HWWBTAQAYUASFP-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001332151054 1390009048 /nfs/dbraw/zinc/00/90/48/1390009048.db2.gz YELRGSUMXOOCQN-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001698759953 1406413640 /nfs/dbraw/zinc/41/36/40/1406413640.db2.gz FVWXTVOREDVXMH-HOTGVXAUSA-N 2 0 349.494 3.103 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCc2cncn2C)[C@H]1C ZINC001332221559 1390054707 /nfs/dbraw/zinc/05/47/07/1390054707.db2.gz YXQJDKZTBYKPII-IIFCEKJISA-N 2 0 346.519 3.068 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001332270365 1390071587 /nfs/dbraw/zinc/07/15/87/1390071587.db2.gz CAYQFIHQJAEGAE-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389252 1390103445 /nfs/dbraw/zinc/10/34/45/1390103445.db2.gz XRLLEWKEIHQDKW-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001332426376 1390114310 /nfs/dbraw/zinc/11/43/10/1390114310.db2.gz CQCBMTUJNGZRBX-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786678 1390187981 /nfs/dbraw/zinc/18/79/81/1390187981.db2.gz CWLMXTYFKVMSSY-MOPGFXCFSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1CCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001332898208 1390212053 /nfs/dbraw/zinc/21/20/53/1390212053.db2.gz HDEWQCGOPSUEBB-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001333070855 1390244477 /nfs/dbraw/zinc/24/44/77/1390244477.db2.gz QFDDHFKGEUTXEM-PGYGNJIDSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CCC3CCCC3)CC2)CC1)[NH+](C)C ZINC001333181437 1390263030 /nfs/dbraw/zinc/26/30/30/1390263030.db2.gz ZLUXRTYFHUUYHE-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001333399423 1390296813 /nfs/dbraw/zinc/29/68/13/1390296813.db2.gz HHVBXDWDVQYDPV-GOSISDBHSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059505 1390636690 /nfs/dbraw/zinc/63/66/90/1390636690.db2.gz GZMZVGYXYBATQP-GZKSLDRRSA-N 2 0 332.532 3.434 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001698833398 1406527930 /nfs/dbraw/zinc/52/79/30/1406527930.db2.gz LCTNKSOGTSRAEH-KRWDZBQOSA-N 2 0 345.531 3.276 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001479416456 1392239407 /nfs/dbraw/zinc/23/94/07/1392239407.db2.gz ISHFERCFYUMXCD-FHWLQOOXSA-N 2 0 345.531 3.189 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1)[NH+](CC)CC ZINC001479572141 1392278311 /nfs/dbraw/zinc/27/83/11/1392278311.db2.gz JDZLFZPGQBFRQV-NEWSRXKRSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001698857704 1406566091 /nfs/dbraw/zinc/56/60/91/1406566091.db2.gz RHNWHEWQRTWRBZ-MJGOQNOKSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001479895949 1392464600 /nfs/dbraw/zinc/46/46/00/1392464600.db2.gz DZCWQDFTNSSTRM-RURPWVQCSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001479905267 1392473096 /nfs/dbraw/zinc/47/30/96/1392473096.db2.gz YWYLMIMVVRVPJH-UYAOXDASSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957210 1392493963 /nfs/dbraw/zinc/49/39/63/1392493963.db2.gz OKJKSRPBUDBWFY-KRWDZBQOSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001480027923 1392540681 /nfs/dbraw/zinc/54/06/81/1392540681.db2.gz ZBTKDDFGCYQWFC-OALUTQOASA-N 2 0 349.563 3.027 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480122276 1392595236 /nfs/dbraw/zinc/59/52/36/1392595236.db2.gz ZTLXECANAGRIBD-SLVIYJBESA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001480209595 1392623039 /nfs/dbraw/zinc/62/30/39/1392623039.db2.gz XDCCXMLXCUELQP-OTWHNJEPSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1 ZINC001480233593 1392629918 /nfs/dbraw/zinc/62/99/18/1392629918.db2.gz IHWVQRWZEAMMHI-AHRSYUTCSA-N 2 0 345.531 3.450 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001480304652 1392668086 /nfs/dbraw/zinc/66/80/86/1392668086.db2.gz ZQQXSTPXDPKDMM-ROUUACIJSA-N 2 0 339.568 3.227 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001480328231 1392688249 /nfs/dbraw/zinc/68/82/49/1392688249.db2.gz PGWFSBRMJOGJBR-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001480330392 1392689871 /nfs/dbraw/zinc/68/98/71/1392689871.db2.gz COWPDRROTXPHQD-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480350116 1392699815 /nfs/dbraw/zinc/69/98/15/1392699815.db2.gz PQKPUQGGVNJFRG-MJRGOJFPSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001480368237 1392710606 /nfs/dbraw/zinc/71/06/06/1392710606.db2.gz UVOCRUMWZMFLBY-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001480373309 1392715300 /nfs/dbraw/zinc/71/53/00/1392715300.db2.gz OXLIUSGIUQYXAC-MOPGFXCFSA-N 2 0 337.552 3.362 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480378240 1392721833 /nfs/dbraw/zinc/72/18/33/1392721833.db2.gz APHQQANACIQQHJ-VGRIIWOTSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cccc(C[NH2+]C2CCC(NC(=O)CCCC[NH+](C)C)CC2)c1 ZINC001480410876 1392746655 /nfs/dbraw/zinc/74/66/55/1392746655.db2.gz ZLTHGDQGFCUAIX-UHFFFAOYSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001480411013 1392746701 /nfs/dbraw/zinc/74/67/01/1392746701.db2.gz DVUJJTVMTACPNI-AOCRQIFASA-N 2 0 325.541 3.026 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001480411641 1392747225 /nfs/dbraw/zinc/74/72/25/1392747225.db2.gz RNMYWUNWZSRRPO-UHFFFAOYSA-N 2 0 345.531 3.161 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703352 1392866786 /nfs/dbraw/zinc/86/67/86/1392866786.db2.gz YGRWAHDYIUCIDN-RTBURBONSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001480794051 1392937466 /nfs/dbraw/zinc/93/74/66/1392937466.db2.gz VARBYONTRKPREB-QUCCMNQESA-N 2 0 345.531 3.242 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001481118841 1393124672 /nfs/dbraw/zinc/12/46/72/1393124672.db2.gz NEFQIEHCKBIRFP-FXAWDEMLSA-N 2 0 345.531 3.088 10 0 EGAERP CCC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)CC1CCC(C)CC1 ZINC001481137377 1393130687 /nfs/dbraw/zinc/13/06/87/1393130687.db2.gz MAHNUADBJIJNME-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001481279128 1393157363 /nfs/dbraw/zinc/15/73/63/1393157363.db2.gz FPLJXHYBXHKKBP-SFHVURJKSA-N 2 0 347.547 3.390 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCCC1 ZINC001481287203 1393158677 /nfs/dbraw/zinc/15/86/77/1393158677.db2.gz GDXDDRGBGITBBR-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001481319424 1393163067 /nfs/dbraw/zinc/16/30/67/1393163067.db2.gz DJWRZYUWHYFGLO-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481339916 1393167672 /nfs/dbraw/zinc/16/76/72/1393167672.db2.gz FQZRBSAVRIANGY-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CC(C)C)CC1)[NH+](CC)CC ZINC001700221210 1413667434 /nfs/dbraw/zinc/66/74/34/1413667434.db2.gz JILPWKNSSSGITK-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700759581 1414431667 /nfs/dbraw/zinc/43/16/67/1414431667.db2.gz ILLIHMBOJWEMKK-JKSUJKDBSA-N 2 0 325.541 3.122 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001698895998 1406628880 /nfs/dbraw/zinc/62/88/80/1406628880.db2.gz WPYFQVOGSGLYRD-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001698895955 1406628232 /nfs/dbraw/zinc/62/82/32/1406628232.db2.gz ZJZLBBSNTRPWLF-IEBWSBKVSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001698922422 1406658467 /nfs/dbraw/zinc/65/84/67/1406658467.db2.gz DSUDYNWIQBIIFO-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001698938953 1406678851 /nfs/dbraw/zinc/67/88/51/1406678851.db2.gz OMODKCWKDQULQL-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001481405611 1394257904 /nfs/dbraw/zinc/25/79/04/1394257904.db2.gz KCTUIJHYTISHCR-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP C[C@@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558607 1394258952 /nfs/dbraw/zinc/25/89/52/1394258952.db2.gz LQHJTVZHUHRLCD-JXFKEZNVSA-N 2 0 339.483 3.043 10 0 EGAERP CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001490618968 1394286097 /nfs/dbraw/zinc/28/60/97/1394286097.db2.gz SGBWFSWMOJFFFX-GOSISDBHSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[NH+]1CC[C@@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481440614 1394294052 /nfs/dbraw/zinc/29/40/52/1394294052.db2.gz AGJPBSDJFFHLEH-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001490980010 1394390684 /nfs/dbraw/zinc/39/06/84/1394390684.db2.gz AYYHHQXCZFYXAM-WOJBJXKFSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001491108510 1394430769 /nfs/dbraw/zinc/43/07/69/1394430769.db2.gz SQGTYUSGECCBAR-GBESFXJTSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001481668985 1394438887 /nfs/dbraw/zinc/43/88/87/1394438887.db2.gz BDWVJDXPYPJYEV-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCC(C)(C)C)C1CCCCC1 ZINC001481675456 1394442601 /nfs/dbraw/zinc/44/26/01/1394442601.db2.gz OLWPUTJJNMNVCX-OALUTQOASA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153534 1394452606 /nfs/dbraw/zinc/45/26/06/1394452606.db2.gz LTGCDYAAPUOEAL-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481704657 1394462911 /nfs/dbraw/zinc/46/29/11/1394462911.db2.gz GCZMUZZQXVAXCE-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001491236393 1394488823 /nfs/dbraw/zinc/48/88/23/1394488823.db2.gz KYKLFZKMSUSHEW-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001491251383 1394491185 /nfs/dbraw/zinc/49/11/85/1394491185.db2.gz OITIDNFZNFZSDS-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481747163 1394492601 /nfs/dbraw/zinc/49/26/01/1394492601.db2.gz NAYRFJYGGBCGRJ-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001491259257 1394494662 /nfs/dbraw/zinc/49/46/62/1394494662.db2.gz RILZBOWMQKRXLJ-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001491681286 1394525628 /nfs/dbraw/zinc/52/56/28/1394525628.db2.gz CVJKBFFWMDQPLN-SJORKVTESA-N 2 0 341.499 3.335 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001698955212 1406701302 /nfs/dbraw/zinc/70/13/02/1406701302.db2.gz CKWZMKNTOWUJRM-SFHVURJKSA-N 2 0 345.531 3.260 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001481910152 1394591894 /nfs/dbraw/zinc/59/18/94/1394591894.db2.gz HJRYOYYCMYTHRY-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001481964602 1394626352 /nfs/dbraw/zinc/62/63/52/1394626352.db2.gz SNMBANVGGIHBMR-NQIIRXRSSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001481964599 1394626471 /nfs/dbraw/zinc/62/64/71/1394626471.db2.gz SNMBANVGGIHBMR-GHTZIAJQSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001482008339 1394667902 /nfs/dbraw/zinc/66/79/02/1394667902.db2.gz OYAQEEJMJBQTFK-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001482024088 1394681860 /nfs/dbraw/zinc/68/18/60/1394681860.db2.gz LKICZIAHLNSKNM-WTGUMLROSA-N 2 0 349.563 3.457 10 0 EGAERP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001482035506 1394696324 /nfs/dbraw/zinc/69/63/24/1394696324.db2.gz CJRJFIXIUAXPAB-RBUKOAKNSA-N 2 0 349.494 3.015 10 0 EGAERP CC(C)CC[NH2+]Cc1ccc(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001482035703 1394696363 /nfs/dbraw/zinc/69/63/63/1394696363.db2.gz LAQGHKQXSVQGDI-HDICACEKSA-N 2 0 345.531 3.311 10 0 EGAERP C[NH+](C)CCC(=O)NCC1([NH2+]CCC2CCCCCC2)CCCC1 ZINC001482227972 1394823091 /nfs/dbraw/zinc/82/30/91/1394823091.db2.gz JBYDHQHVZDWMCV-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001482369537 1394932271 /nfs/dbraw/zinc/93/22/71/1394932271.db2.gz NDPMYMDZCNCDCR-LSDHHAIUSA-N 2 0 339.911 3.178 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001482469154 1395024078 /nfs/dbraw/zinc/02/40/78/1395024078.db2.gz CQRKMTSOZZXBSN-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001482480057 1395033876 /nfs/dbraw/zinc/03/38/76/1395033876.db2.gz TXZLGXCWTSWMPN-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CC[C@H](C(=O)NC[C@H]([NH2+]Cc1c(C)cc(C)cc1C)C(C)C)[NH+](C)C ZINC001482538702 1395078180 /nfs/dbraw/zinc/07/81/80/1395078180.db2.gz VFBCMXKOKDWNBT-VQTJNVASSA-N 2 0 347.547 3.182 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC(C)(C)C ZINC001482560155 1395089435 /nfs/dbraw/zinc/08/94/35/1395089435.db2.gz BVTCPAZGCYVVGF-GOSISDBHSA-N 2 0 339.568 3.275 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001483836028 1395103552 /nfs/dbraw/zinc/10/35/52/1395103552.db2.gz PFDZABBGYOXTIS-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001483840211 1395106782 /nfs/dbraw/zinc/10/67/82/1395106782.db2.gz AIHFBHDHRVXPEP-OAQYLSRUSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001483848821 1395115694 /nfs/dbraw/zinc/11/56/94/1395115694.db2.gz VYBQRRFSHCMBPX-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001483917660 1395144668 /nfs/dbraw/zinc/14/46/68/1395144668.db2.gz WYQIMZFCRASBQC-AZUAARDMSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001484145335 1395281267 /nfs/dbraw/zinc/28/12/67/1395281267.db2.gz SZVZRPVOOIISQQ-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001484542866 1395424442 /nfs/dbraw/zinc/42/44/42/1395424442.db2.gz YWNNCZAZJLVIIZ-WEPWYQGCSA-N 2 0 349.563 3.435 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484810746 1395546362 /nfs/dbraw/zinc/54/63/62/1395546362.db2.gz KBIRKPNWVVOFBY-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC1([NH2+]Cc2ccccc2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001484811130 1395546494 /nfs/dbraw/zinc/54/64/94/1395546494.db2.gz VIDSODLEVFITCF-UHFFFAOYSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001484977353 1395617253 /nfs/dbraw/zinc/61/72/53/1395617253.db2.gz IOERCOXXMFBLEC-QZTJIDSGSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCC(C)(C)C)[NH+](C)C ZINC001485042983 1395648389 /nfs/dbraw/zinc/64/83/89/1395648389.db2.gz HOAMEBBHNLBGEE-GUDVDZBRSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC001485390255 1395881707 /nfs/dbraw/zinc/88/17/07/1395881707.db2.gz YQDAXWFSNBDTJP-KRWDZBQOSA-N 2 0 345.531 3.231 10 0 EGAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485463086 1395937878 /nfs/dbraw/zinc/93/78/78/1395937878.db2.gz JZFFHHCBYLGTCY-ROUUACIJSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001485471177 1395946096 /nfs/dbraw/zinc/94/60/96/1395946096.db2.gz DHRGIZIENFCEJX-WOJBJXKFSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723115 1396117625 /nfs/dbraw/zinc/11/76/25/1396117625.db2.gz XODANTSKXFOWOU-PKOBYXMFSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001485878117 1396161149 /nfs/dbraw/zinc/16/11/49/1396161149.db2.gz QVCWTUJPBKTKBD-YTQUADARSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@@H]1C ZINC001486126997 1396179047 /nfs/dbraw/zinc/17/90/47/1396179047.db2.gz FPJPTSAFDXANAF-PXNSSMCTSA-N 2 0 345.531 3.231 10 0 EGAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21)[NH+](C)C ZINC001503290606 1396250042 /nfs/dbraw/zinc/25/00/42/1396250042.db2.gz KNEUWRRBPFGLAV-ZOCIIQOWSA-N 2 0 349.494 3.028 10 0 EGAERP CCCCCC[N@H+](CC)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001505400286 1396287885 /nfs/dbraw/zinc/28/78/85/1396287885.db2.gz JPEIATDBVZIBMA-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001492092408 1396303907 /nfs/dbraw/zinc/30/39/07/1396303907.db2.gz PSXRMDKGPJRTRJ-AZUAARDMSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1)[NH+]1CCCC1 ZINC001493448430 1396340050 /nfs/dbraw/zinc/34/00/50/1396340050.db2.gz BHHSZTFCBCAUHJ-IBGZPJMESA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CCCC3CCCC3)C2)C1 ZINC001494159173 1396389492 /nfs/dbraw/zinc/38/94/92/1396389492.db2.gz IEADSCHZVDQCPU-ICSRJNTNSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001494171506 1396395075 /nfs/dbraw/zinc/39/50/75/1396395075.db2.gz IKTWJLSTQAARPE-LJQANCHMSA-N 2 0 345.531 3.007 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496285338 1396631315 /nfs/dbraw/zinc/63/13/15/1396631315.db2.gz OINUXJUKIMZMDQ-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCC1)C1CCC1 ZINC001496401980 1396689309 /nfs/dbraw/zinc/68/93/09/1396689309.db2.gz XDVHAMYEPJSUNA-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001496412937 1396696635 /nfs/dbraw/zinc/69/66/35/1396696635.db2.gz DRYXPSPEIKDHIS-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497298986 1396745717 /nfs/dbraw/zinc/74/57/17/1396745717.db2.gz JAAUZJPDBSZBSN-GOSISDBHSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001497691193 1396785730 /nfs/dbraw/zinc/78/57/30/1396785730.db2.gz KLGKDMSTRNLSGS-QULHZPMSSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699017255 1406849939 /nfs/dbraw/zinc/84/99/39/1406849939.db2.gz MQDRIAVLTCQFFE-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001689146616 1396947457 /nfs/dbraw/zinc/94/74/57/1396947457.db2.gz LTGDOVKNYYMMQI-NEWSRXKRSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001699023493 1406858626 /nfs/dbraw/zinc/85/86/26/1406858626.db2.gz UHLTYAYXENEVNC-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]C/C=C\Cl)C1)[NH+](CC)CC ZINC001689267396 1396998377 /nfs/dbraw/zinc/99/83/77/1396998377.db2.gz JDUOJPCXUWJLPO-JOOJNFMESA-N 2 0 343.943 3.220 10 0 EGAERP CCc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001498454221 1396999838 /nfs/dbraw/zinc/99/98/38/1396999838.db2.gz AVDKOQCCROUIKG-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001498483178 1397028825 /nfs/dbraw/zinc/02/88/25/1397028825.db2.gz AGXFKAVWNAZUTE-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001689338524 1397041994 /nfs/dbraw/zinc/04/19/94/1397041994.db2.gz WSPGZOUENINCKW-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001689365694 1403706779 /nfs/dbraw/zinc/70/67/79/1403706779.db2.gz LCAWMBIQBUZNCC-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP C[N@@H+](C/C=C\c1ccccc1)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689820819 1404159604 /nfs/dbraw/zinc/15/96/04/1404159604.db2.gz FKDCVKJRANVNJI-LCYFTJDESA-N 2 0 343.515 3.012 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1cccc(F)c1 ZINC001689933017 1404215006 /nfs/dbraw/zinc/21/50/06/1404215006.db2.gz XKXQVEFPTSMDTA-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC1CCCCC1 ZINC001689933010 1404215536 /nfs/dbraw/zinc/21/55/36/1404215536.db2.gz XERZNIARUBSRSL-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154360 1404353563 /nfs/dbraw/zinc/35/35/63/1404353563.db2.gz ZBGUOEJPLLMIMG-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP O=C(NC[C@H]([NH2+]CCCC1CCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001690159331 1404357294 /nfs/dbraw/zinc/35/72/94/1404357294.db2.gz YFWQDSBROQTEHQ-IBGZPJMESA-N 2 0 347.547 3.070 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690189455 1404391034 /nfs/dbraw/zinc/39/10/34/1404391034.db2.gz UDOFJTBASKCFPM-UCFODXPJSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690198737 1404409287 /nfs/dbraw/zinc/40/92/87/1404409287.db2.gz AJVHPFBTBVCSDK-HXUWFJFHSA-N 2 0 349.563 3.389 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001690260012 1404434181 /nfs/dbraw/zinc/43/41/81/1404434181.db2.gz PJTBWTQUPFDORD-FNYRVFDFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505793 1404618313 /nfs/dbraw/zinc/61/83/13/1404618313.db2.gz XOQOTMLBORQAAB-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001690540170 1404626415 /nfs/dbraw/zinc/62/64/15/1404626415.db2.gz CUZZVTFXQTUWSR-UHFFFAOYSA-N 2 0 325.541 3.172 10 0 EGAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001690867352 1404786220 /nfs/dbraw/zinc/78/62/20/1404786220.db2.gz SFVCBMARERBJGS-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001690919563 1404829779 /nfs/dbraw/zinc/82/97/79/1404829779.db2.gz SKNPJNGEMZXXSJ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001690998177 1404914589 /nfs/dbraw/zinc/91/45/89/1404914589.db2.gz FWBGUIQZGGBVHT-HDICACEKSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691113928 1405054299 /nfs/dbraw/zinc/05/42/99/1405054299.db2.gz YLMQHEIIKQMJGM-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001691151509 1405085124 /nfs/dbraw/zinc/08/51/24/1405085124.db2.gz NFYLJKZXTSRFKA-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001691160365 1405096263 /nfs/dbraw/zinc/09/62/63/1405096263.db2.gz XHXJNIPBOHDEFZ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001691163140 1405098071 /nfs/dbraw/zinc/09/80/71/1405098071.db2.gz PJGANGMRYWYBKQ-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1)c1ccccc1 ZINC001691165935 1405100592 /nfs/dbraw/zinc/10/05/92/1405100592.db2.gz JDBJELIQHHEUNZ-UYAOXDASSA-N 2 0 345.531 3.164 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[NH+](CCC(C)C)C1)c1ccccc1 ZINC001691165934 1405100793 /nfs/dbraw/zinc/10/07/93/1405100793.db2.gz JDBJELIQHHEUNZ-QUCCMNQESA-N 2 0 345.531 3.164 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001691171453 1405107680 /nfs/dbraw/zinc/10/76/80/1405107680.db2.gz UIBFVKGVWZLAPH-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CCC(C)(C)C)C2CC2)C1 ZINC001691221526 1405161971 /nfs/dbraw/zinc/16/19/71/1405161971.db2.gz PXQFBTVOVKWXCD-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001691353992 1405211439 /nfs/dbraw/zinc/21/14/39/1405211439.db2.gz TUBRAEDBTRSWKW-QYZOEREBSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001691448460 1405275198 /nfs/dbraw/zinc/27/51/98/1405275198.db2.gz VATAEZGEJDJWDO-PXNSSMCTSA-N 2 0 345.531 3.088 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001691518207 1405317401 /nfs/dbraw/zinc/31/74/01/1405317401.db2.gz HTBPCBQHZYUIIQ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691585948 1405347358 /nfs/dbraw/zinc/34/73/58/1405347358.db2.gz LXHNPJRWHLVRTK-CMZLPQLFSA-N 2 0 335.536 3.090 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691629853 1405367654 /nfs/dbraw/zinc/36/76/54/1405367654.db2.gz XIAOEBXTGLCNHJ-IDPBEMBBSA-N 2 0 337.552 3.434 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001691683239 1405418811 /nfs/dbraw/zinc/41/88/11/1405418811.db2.gz RIJDZIFFSKKASN-ROUUACIJSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001691689675 1405423943 /nfs/dbraw/zinc/42/39/43/1405423943.db2.gz JNIJIAFZVDIKMD-ASIGSXEYSA-N 2 0 347.547 3.140 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001691691784 1405426539 /nfs/dbraw/zinc/42/65/39/1405426539.db2.gz FDXWMWDDDKRBRJ-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001691697182 1405429911 /nfs/dbraw/zinc/42/99/11/1405429911.db2.gz UGNXSPAMRCXLOE-CXLYAGSJSA-N 2 0 335.536 3.042 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1CC[NH2+]CC1CCC1 ZINC001691731646 1405454895 /nfs/dbraw/zinc/45/48/95/1405454895.db2.gz DXCMTEBCNWIUJR-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccccc1F ZINC001691736020 1405458500 /nfs/dbraw/zinc/45/85/00/1405458500.db2.gz GGZSLHMJDDIQOB-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001691786658 1405495893 /nfs/dbraw/zinc/49/58/93/1405495893.db2.gz DWSDOGZFNMGNSY-LJQANCHMSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001691798554 1405510825 /nfs/dbraw/zinc/51/08/25/1405510825.db2.gz FWAAFBMPZHYVBY-ICSRJNTNSA-N 2 0 345.531 3.401 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCC2CC2)C1 ZINC001691895816 1405618451 /nfs/dbraw/zinc/61/84/51/1405618451.db2.gz ZKDFLEMHAUNICY-NLWGTHIKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001691913545 1405639341 /nfs/dbraw/zinc/63/93/41/1405639341.db2.gz ROCQHGUWXKXEPJ-KFKAGJAMSA-N 2 0 349.494 3.103 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001691922539 1405652513 /nfs/dbraw/zinc/65/25/13/1405652513.db2.gz POSIFMAIFPMVID-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001691923813 1405655403 /nfs/dbraw/zinc/65/54/03/1405655403.db2.gz CRMGHJXLKHAKGF-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1)c1ccccc1 ZINC001691937682 1405663094 /nfs/dbraw/zinc/66/30/94/1405663094.db2.gz BDIGNKRMQXJUHA-DFQSSKMNSA-N 2 0 345.531 3.210 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001691955561 1405673870 /nfs/dbraw/zinc/67/38/70/1405673870.db2.gz ZAHZNBPABJFQKT-IPMKNSEASA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692053219 1405754013 /nfs/dbraw/zinc/75/40/13/1405754013.db2.gz ZWEPPPYOYKFVTE-ZYHOBAKYSA-N 2 0 335.536 3.044 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001692131953 1405789307 /nfs/dbraw/zinc/78/93/07/1405789307.db2.gz MNAOQJWNJPWYCZ-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)[C@H]2C)C1 ZINC001692188700 1405830091 /nfs/dbraw/zinc/83/00/91/1405830091.db2.gz OVPLYCFKHOOXRB-CHPDAQJUSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC1CCCCCC1 ZINC001692201579 1405840422 /nfs/dbraw/zinc/84/04/22/1405840422.db2.gz NMWSHHVJPHBPPG-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001692329729 1405947788 /nfs/dbraw/zinc/94/77/88/1405947788.db2.gz MFRMSMCXMBKPLB-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001692332744 1405951875 /nfs/dbraw/zinc/95/18/75/1405951875.db2.gz DUVVCVPGZCNENL-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)[C@@H]1C)[NH+](C)C ZINC001692392479 1405994344 /nfs/dbraw/zinc/99/43/44/1405994344.db2.gz DFNOFEXKARPXND-NEWSRXKRSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001698578416 1406188776 /nfs/dbraw/zinc/18/87/76/1406188776.db2.gz UKDZARVRYWRMBA-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001698582682 1406195949 /nfs/dbraw/zinc/19/59/49/1406195949.db2.gz TXMKNYQRYGBGKB-WOJBJXKFSA-N 2 0 347.547 3.284 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698599711 1406224842 /nfs/dbraw/zinc/22/48/42/1406224842.db2.gz FNGAEDLTSXLNPK-CEXWTWQISA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001698600844 1406226198 /nfs/dbraw/zinc/22/61/98/1406226198.db2.gz MJGFIRUWTNOEBZ-SLFFLAALSA-N 2 0 345.531 3.018 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732049274 1428286993 /nfs/dbraw/zinc/28/69/93/1428286993.db2.gz PBWYMFAHWZJFDP-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732073476 1428323183 /nfs/dbraw/zinc/32/31/83/1428323183.db2.gz RDBIKNXSIHAIBB-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732161685 1428404932 /nfs/dbraw/zinc/40/49/32/1428404932.db2.gz DJZIRPIUYAFIKE-DUMMIQTOSA-N 2 0 340.471 3.145 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732166545 1428409328 /nfs/dbraw/zinc/40/93/28/1428409328.db2.gz ZWHQXZZBTGRZOQ-IAGOWNOFSA-N 2 0 343.531 3.025 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176359 1428422184 /nfs/dbraw/zinc/42/21/84/1428422184.db2.gz SUYUPSQIUKXDSN-VQTJNVASSA-N 2 0 347.547 3.140 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187889 1428439091 /nfs/dbraw/zinc/43/90/91/1428439091.db2.gz VSUXLWCFBMAPDB-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001732206839 1428455992 /nfs/dbraw/zinc/45/59/92/1428455992.db2.gz CTNWFGHBFVVDEF-YSIASYRMSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccccc1C ZINC001732207899 1428457165 /nfs/dbraw/zinc/45/71/65/1428457165.db2.gz RAPKSAHXCSEKLL-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC2(C[NH2+]CC3CCCCC3)CCCC2)CC[N@@H+]1C ZINC001732233494 1428480268 /nfs/dbraw/zinc/48/02/68/1428480268.db2.gz SUXWBKVWWHKJGS-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001732247754 1428490756 /nfs/dbraw/zinc/49/07/56/1428490756.db2.gz LSTDZCRFUJOVNR-UTKZUKDTSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CCC(C)(C)C)CCCC[C@@H]1C ZINC001732261882 1428502133 /nfs/dbraw/zinc/50/21/33/1428502133.db2.gz OZNAEWVPIRRYRY-FXAWDEMLSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001732271340 1428507288 /nfs/dbraw/zinc/50/72/88/1428507288.db2.gz FXILTTBFECOZMA-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732354822 1428546032 /nfs/dbraw/zinc/54/60/32/1428546032.db2.gz BHBVVKHWXLLPAQ-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)C1 ZINC001732397801 1428564705 /nfs/dbraw/zinc/56/47/05/1428564705.db2.gz AXYCVXSFMAXFJA-SFHVURJKSA-N 2 0 347.547 3.237 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001732396572 1428563819 /nfs/dbraw/zinc/56/38/19/1428563819.db2.gz DBZFPZWZEXFAMN-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732400394 1428566335 /nfs/dbraw/zinc/56/63/35/1428566335.db2.gz RCYGEPLKSLKODY-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001732424796 1428575626 /nfs/dbraw/zinc/57/56/26/1428575626.db2.gz JTJFYYLCRADUPS-VQIMIIECSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001732469663 1428598508 /nfs/dbraw/zinc/59/85/08/1428598508.db2.gz LSZRUOQMEXNEQN-FQEVSTJZSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C ZINC001699112556 1412515686 /nfs/dbraw/zinc/51/56/86/1412515686.db2.gz MMVIOHGKCNFUBE-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699208592 1412575053 /nfs/dbraw/zinc/57/50/53/1412575053.db2.gz XFMABZCAXZOLND-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001699275682 1412609993 /nfs/dbraw/zinc/60/99/93/1412609993.db2.gz NGAVYEDGBSPYBM-ZYHOBAKYSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001699294648 1412620695 /nfs/dbraw/zinc/62/06/95/1412620695.db2.gz BNLMEPQCKXEWDP-LFAOLKIESA-N 2 0 349.906 3.005 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001699343157 1412652043 /nfs/dbraw/zinc/65/20/43/1412652043.db2.gz YNOFQXKCNSADMM-YWFTZVROSA-N 2 0 343.515 3.085 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001699387944 1412700826 /nfs/dbraw/zinc/70/08/26/1412700826.db2.gz KWLDUGHUWNESKM-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)cc1Cl)NC(=O)CC[NH+](C)C ZINC001699418869 1412732851 /nfs/dbraw/zinc/73/28/51/1412732851.db2.gz LPCHBEKEWABRNL-RYUDHWBXSA-N 2 0 346.302 3.100 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001699459640 1412811936 /nfs/dbraw/zinc/81/19/36/1412811936.db2.gz MCMQYIRWLMNDQD-DLBZAZTESA-N 2 0 333.520 3.259 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001699580924 1412937172 /nfs/dbraw/zinc/93/71/72/1412937172.db2.gz LCFACGRKFUDGNZ-SFHVURJKSA-N 2 0 335.536 3.090 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001699674407 1413066786 /nfs/dbraw/zinc/06/67/86/1413066786.db2.gz VRFBVPCGPCHOAF-YIYNPQHWSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001699678865 1413073700 /nfs/dbraw/zinc/07/37/00/1413073700.db2.gz OIOBCTVETLGSGL-OOKSDGMUSA-N 2 0 335.536 3.019 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001699679518 1413073956 /nfs/dbraw/zinc/07/39/56/1413073956.db2.gz DWUORULVQFONOI-XVLXNVKGSA-N 2 0 335.536 3.163 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001699680486 1413074666 /nfs/dbraw/zinc/07/46/66/1413074666.db2.gz PZTXJGRLCWPEIE-IHWFROFDSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001699681572 1413075587 /nfs/dbraw/zinc/07/55/87/1413075587.db2.gz QWNJWTGSLGVYQX-BQPQQLJHSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001699682932 1413076956 /nfs/dbraw/zinc/07/69/56/1413076956.db2.gz CDWXCWVDGNPDEF-MOPGFXCFSA-N 2 0 335.536 3.164 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001699694113 1413102275 /nfs/dbraw/zinc/10/22/75/1413102275.db2.gz ADCLKXXYPKXISW-AUGFPLSNSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001699828176 1413256357 /nfs/dbraw/zinc/25/63/57/1413256357.db2.gz ZAZTUWDEGGQASQ-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001699845637 1413274177 /nfs/dbraw/zinc/27/41/77/1413274177.db2.gz BNZQMQRYKCNXOI-GXGIYUIGSA-N 2 0 349.563 3.293 10 0 EGAERP C[C@]1(C[NH2+]CC2CC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001699849486 1413278783 /nfs/dbraw/zinc/27/87/83/1413278783.db2.gz UIBUMCBQTUMRJZ-PZJWPPBQSA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001699962959 1413403510 /nfs/dbraw/zinc/40/35/10/1413403510.db2.gz JJVNRZUIIAMVSH-AWTIPJNISA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001700105844 1413524617 /nfs/dbraw/zinc/52/46/17/1413524617.db2.gz MVNXVLYMFKZJAS-VOFKWLDRSA-N 2 0 347.547 3.140 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001700142621 1413564950 /nfs/dbraw/zinc/56/49/50/1413564950.db2.gz BPHNUIYGKMXRKG-IRXDYDNUSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC001700179903 1413591856 /nfs/dbraw/zinc/59/18/56/1413591856.db2.gz VESCYLULGMYOSY-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700189687 1413616648 /nfs/dbraw/zinc/61/66/48/1413616648.db2.gz BTGIBWNYTKFEHP-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001700203299 1413647473 /nfs/dbraw/zinc/64/74/73/1413647473.db2.gz KGTJZDBVFWLVGM-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001700221738 1413669092 /nfs/dbraw/zinc/66/90/92/1413669092.db2.gz BTWRHCAJAZHAAI-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001732557723 1428745829 /nfs/dbraw/zinc/74/58/29/1428745829.db2.gz MLHBTLOCJOMGTQ-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[N@H+]1Cc2ccc(CNC(=O)[C@@H](C(C)C)[NH+](C)C)cc2C1 ZINC001700253042 1413701548 /nfs/dbraw/zinc/70/15/48/1413701548.db2.gz QGUMCPULLLEEHC-HXUWFJFHSA-N 2 0 343.515 3.171 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700284081 1413730395 /nfs/dbraw/zinc/73/03/95/1413730395.db2.gz TXDFDTKEZZODNU-LIXSYLKWSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001700291595 1413745043 /nfs/dbraw/zinc/74/50/43/1413745043.db2.gz IMVGBNHDWXKTFQ-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001700323947 1413791192 /nfs/dbraw/zinc/79/11/92/1413791192.db2.gz PHXOBKSZZFTJDT-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC1CCC1 ZINC001700354025 1413852139 /nfs/dbraw/zinc/85/21/39/1413852139.db2.gz SWAQQMVVYNRTSS-PMACEKPBSA-N 2 0 349.563 3.362 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700419939 1413968933 /nfs/dbraw/zinc/96/89/33/1413968933.db2.gz AYVAKPQRQNLPLC-MOPGFXCFSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001700431834 1413994390 /nfs/dbraw/zinc/99/43/90/1413994390.db2.gz SNRKORMQDMOFLQ-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001700469365 1414083259 /nfs/dbraw/zinc/08/32/59/1414083259.db2.gz HRUHYYVZGGODQG-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700524319 1414182973 /nfs/dbraw/zinc/18/29/73/1414182973.db2.gz GGVRHJPFBANNRN-WGLWSTOQSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700574475 1414247066 /nfs/dbraw/zinc/24/70/66/1414247066.db2.gz PRUKHFJOAUYTNS-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001700621342 1414291401 /nfs/dbraw/zinc/29/14/01/1414291401.db2.gz RREDVWLOYJNPLE-SFFCAUCYSA-N 2 0 347.547 3.142 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689324 1414342125 /nfs/dbraw/zinc/34/21/25/1414342125.db2.gz KNFLPQSPYNPAIX-UYAOXDASSA-N 2 0 345.531 3.244 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001700721649 1414382070 /nfs/dbraw/zinc/38/20/70/1414382070.db2.gz NIKYWPQHDNJSJR-ZCNNSNEGSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700749298 1414418723 /nfs/dbraw/zinc/41/87/23/1414418723.db2.gz NPVRQAFZEHKNGA-MRDYICJFSA-N 2 0 343.515 3.009 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001700754744 1414424957 /nfs/dbraw/zinc/42/49/57/1414424957.db2.gz ZDQUOMQBYZUNIZ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001700758678 1414430841 /nfs/dbraw/zinc/43/08/41/1414430841.db2.gz DOZDAPLUCJHVID-KRWDZBQOSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700780976 1414463257 /nfs/dbraw/zinc/46/32/57/1414463257.db2.gz QJOJZSSYRZZYJT-IUQDWYLOSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001732590268 1428811456 /nfs/dbraw/zinc/81/14/56/1428811456.db2.gz NBHSCAPALAMNDE-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700825977 1414481492 /nfs/dbraw/zinc/48/14/92/1414481492.db2.gz IEUDCYFUUKUOQP-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@H]1C ZINC001700831346 1414485228 /nfs/dbraw/zinc/48/52/28/1414485228.db2.gz YDLMVOLTCSSMPH-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001700849436 1414497704 /nfs/dbraw/zinc/49/77/04/1414497704.db2.gz JDRQTQFLZXBEDF-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001700926534 1414579873 /nfs/dbraw/zinc/57/98/73/1414579873.db2.gz MSCQJVBQCWLLST-BTFXCVNISA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C)[NH+](C)C ZINC001700998192 1414648003 /nfs/dbraw/zinc/64/80/03/1414648003.db2.gz MNBMYGZDMMHANV-QZTJIDSGSA-N 2 0 339.568 3.273 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001701025699 1414687557 /nfs/dbraw/zinc/68/75/57/1414687557.db2.gz ZGLVCTFJWYOLAJ-VIQWUECVSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@H+]3C)CC2)CC1 ZINC001701031759 1414694962 /nfs/dbraw/zinc/69/49/62/1414694962.db2.gz FUDPPYMQJNCYCV-LJQANCHMSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001701054676 1414710281 /nfs/dbraw/zinc/71/02/81/1414710281.db2.gz XUBRZSGZXAYOMU-GGVAOPBYSA-N 2 0 347.547 3.211 10 0 EGAERP C[C@@H]1CCC[C@H](CC[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001701061621 1414717874 /nfs/dbraw/zinc/71/78/74/1414717874.db2.gz SIWQZADEJRAQRH-RTBURBONSA-N 2 0 347.547 3.047 10 0 EGAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)CCC[NH+]1CCCCC1 ZINC001732596976 1428835498 /nfs/dbraw/zinc/83/54/98/1428835498.db2.gz BXNWJVBJNBIGTL-UHFFFAOYSA-N 2 0 325.541 3.079 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC=C(C)C)C1 ZINC001732608133 1428865501 /nfs/dbraw/zinc/86/55/01/1428865501.db2.gz PPOGOSDATLFBNB-PMACEKPBSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734826 1428935667 /nfs/dbraw/zinc/93/56/67/1428935667.db2.gz UEEMIWGXJGILIK-AEFFLSMTSA-N 2 0 337.552 3.170 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732799473 1428979427 /nfs/dbraw/zinc/97/94/27/1428979427.db2.gz CQQZGBJQQMUSKJ-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732806208 1428984806 /nfs/dbraw/zinc/98/48/06/1428984806.db2.gz CXXRYSUBPHOTKC-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733026860 1429146041 /nfs/dbraw/zinc/14/60/41/1429146041.db2.gz FSHWUBGBPHVOCB-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039068 1429166945 /nfs/dbraw/zinc/16/69/45/1429166945.db2.gz RQAFRVGTOLVKDF-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707146663 1417221819 /nfs/dbraw/zinc/22/18/19/1417221819.db2.gz VSZMPKXIUFQFSE-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCC(C)C)C2)CC[N@@H+]1C ZINC001707235849 1417256434 /nfs/dbraw/zinc/25/64/34/1417256434.db2.gz FNNRBPUQFSJIBI-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001707253612 1417267334 /nfs/dbraw/zinc/26/73/34/1417267334.db2.gz XYUPUTLQJDLBLK-LZKQAESESA-N 2 0 349.563 3.432 10 0 EGAERP C[C@H](C[N@H+](C)CCCC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733042115 1429171485 /nfs/dbraw/zinc/17/14/85/1429171485.db2.gz TYNJVDDTCLNAMA-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001707268939 1417276040 /nfs/dbraw/zinc/27/60/40/1417276040.db2.gz LZRDKUAQVGIIDA-NBDWZHNGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001713031419 1417581798 /nfs/dbraw/zinc/58/17/98/1417581798.db2.gz RJVGCFLMBSIFNP-HDICACEKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](CC)CC ZINC001713086304 1417632363 /nfs/dbraw/zinc/63/23/63/1417632363.db2.gz IGINNLHDJVYPOL-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713095796 1417644613 /nfs/dbraw/zinc/64/46/13/1417644613.db2.gz SELMQFYFSHQIML-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001713111738 1417673725 /nfs/dbraw/zinc/67/37/25/1417673725.db2.gz LWXCEBTZKLKYSS-PXPVJAHISA-N 2 0 340.471 3.097 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001713113311 1417676011 /nfs/dbraw/zinc/67/60/11/1417676011.db2.gz YHUKEOWTGRECJN-VQTJNVASSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[NH+]1CCCCC1 ZINC001713181817 1417756050 /nfs/dbraw/zinc/75/60/50/1417756050.db2.gz GNQVIAIARJSMPZ-NXEWRWPSSA-N 2 0 347.547 3.019 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001713216180 1417792468 /nfs/dbraw/zinc/79/24/68/1417792468.db2.gz AJTBPMSFCMWFAP-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713230705 1417817563 /nfs/dbraw/zinc/81/75/63/1417817563.db2.gz INCHKXGYIYPSRC-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713252944 1417846695 /nfs/dbraw/zinc/84/66/95/1417846695.db2.gz JODFDUCUXDJFGT-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713311322 1417935964 /nfs/dbraw/zinc/93/59/64/1417935964.db2.gz NETHLUTXMBIVCD-IFOCYFHOSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C ZINC001713321137 1417945746 /nfs/dbraw/zinc/94/57/46/1417945746.db2.gz IXNJFCHVBBVRAA-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713379026 1417989516 /nfs/dbraw/zinc/98/95/16/1417989516.db2.gz MWZKAMGKMYLPOE-YQJUVHNHSA-N 2 0 337.552 3.338 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001713408170 1418031113 /nfs/dbraw/zinc/03/11/13/1418031113.db2.gz FYNXCHSTJZZIKE-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001733082746 1429235742 /nfs/dbraw/zinc/23/57/42/1429235742.db2.gz HOMCNUARRRWYSY-UXHICEINSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001713684693 1418437774 /nfs/dbraw/zinc/43/77/74/1418437774.db2.gz OCCBCRDHMPSOQZ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001713721981 1418495693 /nfs/dbraw/zinc/49/56/93/1418495693.db2.gz CJZBFAHRILZSLB-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713738714 1418537362 /nfs/dbraw/zinc/53/73/62/1418537362.db2.gz KMAQCNRFVSZVGS-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001713779962 1418595584 /nfs/dbraw/zinc/59/55/84/1418595584.db2.gz RKULCCUTPHAALV-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713779965 1418596126 /nfs/dbraw/zinc/59/61/26/1418596126.db2.gz RNGPBIUMKXYKIJ-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001713785131 1418602020 /nfs/dbraw/zinc/60/20/20/1418602020.db2.gz JUBADRZNSFBHJF-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001713900169 1418700321 /nfs/dbraw/zinc/70/03/21/1418700321.db2.gz RCYAFYPZLCYYEL-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH+]1CC(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713901693 1418701438 /nfs/dbraw/zinc/70/14/38/1418701438.db2.gz TWNIBOYBBFPHMV-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713975812 1418756019 /nfs/dbraw/zinc/75/60/19/1418756019.db2.gz NGCWGQKXLGDISZ-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714001293 1418781229 /nfs/dbraw/zinc/78/12/29/1418781229.db2.gz USZACJFGIJXJQU-GOSISDBHSA-N 2 0 337.552 3.364 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714034242 1418823006 /nfs/dbraw/zinc/82/30/06/1418823006.db2.gz OKOSZRONAIJGJR-NHQAVIFJSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001714035849 1418824664 /nfs/dbraw/zinc/82/46/64/1418824664.db2.gz AIWMGABFJLXAMZ-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714041968 1418831770 /nfs/dbraw/zinc/83/17/70/1418831770.db2.gz QCUDPIZHPCNIAP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714044430 1418836156 /nfs/dbraw/zinc/83/61/56/1418836156.db2.gz QCOOGTARAQYKNE-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001714093312 1418887009 /nfs/dbraw/zinc/88/70/09/1418887009.db2.gz LREVFZQJIPJMEW-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001714094477 1418888048 /nfs/dbraw/zinc/88/80/48/1418888048.db2.gz LZXGARUIJYTRQY-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001714110411 1418912067 /nfs/dbraw/zinc/91/20/67/1418912067.db2.gz CXKBQWXWDBERMB-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001714132716 1418935721 /nfs/dbraw/zinc/93/57/21/1418935721.db2.gz BQQVNLBGECHEMY-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150064 1418955778 /nfs/dbraw/zinc/95/57/78/1418955778.db2.gz JILVXXHINRTJNL-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2ccc(F)cc2)CCCC1 ZINC001714151365 1418957908 /nfs/dbraw/zinc/95/79/08/1418957908.db2.gz MGDZBUXHPYOMSY-INIZCTEOSA-N 2 0 349.494 3.246 10 0 EGAERP CC1CCC(C[NH2+]C[C@@](C)(NC(=O)C2CC[NH+](C)CC2)C2CC2)CC1 ZINC001714172693 1418980532 /nfs/dbraw/zinc/98/05/32/1418980532.db2.gz ZYYLNXYLWGQTGY-MYKUNDNFSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1c(C)cccc1C)C1CC1)[NH+](C)C ZINC001714173475 1418981309 /nfs/dbraw/zinc/98/13/09/1418981309.db2.gz BFNPDSLUJIZHBE-CTNGQTDRSA-N 2 0 345.531 3.018 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001714190595 1418997124 /nfs/dbraw/zinc/99/71/24/1418997124.db2.gz CJMSBBLFTDFHHV-ACBHZAAOSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(c2ccccc2)CC1 ZINC001714270655 1419051437 /nfs/dbraw/zinc/05/14/37/1419051437.db2.gz SAXPEQQIILWMND-ZJRDLVKKSA-N 2 0 345.531 3.006 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001714276376 1419056796 /nfs/dbraw/zinc/05/67/96/1419056796.db2.gz LAZVZKQHZRJWRS-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]Cc1ccsc1)c1ccccc1 ZINC001714291794 1419070301 /nfs/dbraw/zinc/07/03/01/1419070301.db2.gz SDIKVSOBCOXPFW-MAUKXSAKSA-N 2 0 345.512 3.035 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001714310481 1419091098 /nfs/dbraw/zinc/09/10/98/1419091098.db2.gz UNELLKCLEZJPJI-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@@H]1CC[NH+](C)C1)CC2 ZINC001714367223 1419126978 /nfs/dbraw/zinc/12/69/78/1419126978.db2.gz VXJWRQHEWJRVLB-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C1CC[NH+](C)CC1)CC2 ZINC001714366839 1419126992 /nfs/dbraw/zinc/12/69/92/1419126992.db2.gz UZRNAHCYNSXUJG-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433242 1419165965 /nfs/dbraw/zinc/16/59/65/1419165965.db2.gz BBHFKOGUKMGXPH-MSOLQXFVSA-N 2 0 339.568 3.418 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714442223 1419174317 /nfs/dbraw/zinc/17/43/17/1419174317.db2.gz SSWYGNOELVLDLP-ZYHOBAKYSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001714519565 1419245753 /nfs/dbraw/zinc/24/57/53/1419245753.db2.gz SHEQQWJQODRWMS-GOSISDBHSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCCCC1 ZINC001714563342 1419291286 /nfs/dbraw/zinc/29/12/86/1419291286.db2.gz FVAAPBVKMIUMBR-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC001714587481 1419331088 /nfs/dbraw/zinc/33/10/88/1419331088.db2.gz PYNIHIQEKIUIPQ-KRWDZBQOSA-N 2 0 331.504 3.060 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CCC(C)(C)C ZINC001714594440 1419344409 /nfs/dbraw/zinc/34/44/09/1419344409.db2.gz LHVUTBBCALNCJY-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]CCCC2CCC2)ccc2c[nH+]cn21 ZINC001714677075 1419469491 /nfs/dbraw/zinc/46/94/91/1419469491.db2.gz PKPBRFZDUUPZDT-HNNXBMFYSA-N 2 0 342.487 3.273 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001714713721 1419481318 /nfs/dbraw/zinc/48/13/18/1419481318.db2.gz BCJUEXPZTFNMMD-KRWDZBQOSA-N 2 0 335.536 3.188 10 0 EGAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001714812149 1419523085 /nfs/dbraw/zinc/52/30/85/1419523085.db2.gz LDNZTSWPBZKQHI-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001714869370 1419598937 /nfs/dbraw/zinc/59/89/37/1419598937.db2.gz FNJGEAGOCHFFAL-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714910809 1419657011 /nfs/dbraw/zinc/65/70/11/1419657011.db2.gz PERWINFVHPCMFU-PXDRNWIDSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)CCCC2CCC2)CC1 ZINC001714914431 1419663361 /nfs/dbraw/zinc/66/33/61/1419663361.db2.gz GFMYNSSQGHWNHW-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001714923303 1419676482 /nfs/dbraw/zinc/67/64/82/1419676482.db2.gz VJYWKVISBDVWHI-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001715019739 1419751078 /nfs/dbraw/zinc/75/10/78/1419751078.db2.gz HUMJLEHKWYGWQP-AEFFLSMTSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715028247 1419760383 /nfs/dbraw/zinc/76/03/83/1419760383.db2.gz CELINIFZUVISJK-OYQYDDJWSA-N 2 0 349.563 3.386 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001715031849 1419764255 /nfs/dbraw/zinc/76/42/55/1419764255.db2.gz WHZOCNABUWRCKQ-BEFAXECRSA-N 2 0 342.487 3.273 10 0 EGAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001715046803 1419787498 /nfs/dbraw/zinc/78/74/98/1419787498.db2.gz BKFOMLRRZVSXJS-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001715072262 1419807328 /nfs/dbraw/zinc/80/73/28/1419807328.db2.gz UNTMHXRSFBWFIE-MAUKXSAKSA-N 2 0 349.494 3.246 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]Cc2cccc(C)c2)C1 ZINC001715076799 1419811695 /nfs/dbraw/zinc/81/16/95/1419811695.db2.gz VGVKAEJHPJUKAK-UXHICEINSA-N 2 0 345.531 3.101 10 0 EGAERP CCc1cccc(C[NH2+][C@H](CC)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC001715089477 1419829349 /nfs/dbraw/zinc/82/93/49/1419829349.db2.gz UBYCJFJABHFGLN-UXHICEINSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001715099340 1419839962 /nfs/dbraw/zinc/83/99/62/1419839962.db2.gz PRZMLLUYRSLXLD-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001715102919 1419843837 /nfs/dbraw/zinc/84/38/37/1419843837.db2.gz LJZXYFPKKIVDRO-RBUKOAKNSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715151800 1419896414 /nfs/dbraw/zinc/89/64/14/1419896414.db2.gz DVWFLZQRCOLSNK-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001715154032 1419897741 /nfs/dbraw/zinc/89/77/41/1419897741.db2.gz FBKJWFAQYIKJIU-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001715159979 1419901659 /nfs/dbraw/zinc/90/16/59/1419901659.db2.gz IKRRPSDTLPQOET-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001715161000 1419902512 /nfs/dbraw/zinc/90/25/12/1419902512.db2.gz LQIJLCSYQZSKAA-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001715169211 1419907417 /nfs/dbraw/zinc/90/74/17/1419907417.db2.gz AOKVZTFTEMBYFV-FQEVSTJZSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)C1 ZINC001715187650 1419920190 /nfs/dbraw/zinc/92/01/90/1419920190.db2.gz PYZYZTFPCJHIER-VJANTYMQSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)C1 ZINC001715187644 1419920229 /nfs/dbraw/zinc/92/02/29/1419920229.db2.gz PYZYZTFPCJHIER-FCGDIQPGSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CC(=O)NCc1ccc(C[NH2+]CC2CCCC2)cc1)C1CCC1 ZINC001715196646 1419928384 /nfs/dbraw/zinc/92/83/84/1419928384.db2.gz ZXPLNKTXQBEMTA-UHFFFAOYSA-N 2 0 343.515 3.067 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CCCC(C)(C)C)C2)CC1 ZINC001715216187 1419948863 /nfs/dbraw/zinc/94/88/63/1419948863.db2.gz BCTHNJTWLRTZKL-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001715272047 1419987508 /nfs/dbraw/zinc/98/75/08/1419987508.db2.gz LLGSDNCTGUNFDR-SJORKVTESA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001715302068 1420010062 /nfs/dbraw/zinc/01/00/62/1420010062.db2.gz KRMMNNOSDQBWBD-GOSISDBHSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001715302907 1420010979 /nfs/dbraw/zinc/01/09/79/1420010979.db2.gz HCZSFZNUXSOXJY-QGZVFWFLSA-N 2 0 349.544 3.141 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001733247854 1429394659 /nfs/dbraw/zinc/39/46/59/1429394659.db2.gz TYPXTZBTWQVSQR-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001715400371 1420098740 /nfs/dbraw/zinc/09/87/40/1420098740.db2.gz LCWXPFSRWVONNM-LJQANCHMSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CCCC2)CC[N@@H+]1C ZINC001715436028 1420122394 /nfs/dbraw/zinc/12/23/94/1420122394.db2.gz RVTWSTCQDWSEGQ-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001715435982 1420122538 /nfs/dbraw/zinc/12/25/38/1420122538.db2.gz JKRQRSBGYDUPRB-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001715458604 1420139202 /nfs/dbraw/zinc/13/92/02/1420139202.db2.gz LGNIPSGFAUQYBP-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715483746 1420163308 /nfs/dbraw/zinc/16/33/08/1420163308.db2.gz ZOCPLOWOWWODTK-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001715538150 1420234587 /nfs/dbraw/zinc/23/45/87/1420234587.db2.gz XNPIHEDYHGHDEJ-HKUYNNGSSA-N 2 0 333.520 3.095 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001715557636 1420251048 /nfs/dbraw/zinc/25/10/48/1420251048.db2.gz DRKOCVUMGZPOTO-PMACEKPBSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cc(C)cc(C)c2)CC[N@@H+]1C ZINC001715646657 1420278008 /nfs/dbraw/zinc/27/80/08/1420278008.db2.gz LSEUAQRHRDSHRV-YSIASYRMSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](CC[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715679055 1420291089 /nfs/dbraw/zinc/29/10/89/1420291089.db2.gz XISZJERTKFZHPM-AOIWGVFYSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1)[NH+]1CCCCCC1 ZINC001715688174 1420295117 /nfs/dbraw/zinc/29/51/17/1420295117.db2.gz WIRMALJVXDPUAQ-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001715766265 1420332494 /nfs/dbraw/zinc/33/24/94/1420332494.db2.gz DSOPSXCULDRFJD-VQTJNVASSA-N 2 0 345.531 3.054 10 0 EGAERP CC1CC(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001715858245 1420369883 /nfs/dbraw/zinc/36/98/83/1420369883.db2.gz BPGFNGDRLBSZEK-WINXVXFMSA-N 2 0 347.547 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+][C@H](C)c2ccccc2)C1 ZINC001715863144 1420372232 /nfs/dbraw/zinc/37/22/32/1420372232.db2.gz LNLWPESEWPOHTQ-TWPWWVQHSA-N 2 0 343.515 3.132 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001715863142 1420372523 /nfs/dbraw/zinc/37/25/23/1420372523.db2.gz LNLWPESEWPOHTQ-LGYYHMKYSA-N 2 0 343.515 3.132 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026421 1420483458 /nfs/dbraw/zinc/48/34/58/1420483458.db2.gz FHJSIEUGFROHRM-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716066999 1420524949 /nfs/dbraw/zinc/52/49/49/1420524949.db2.gz KBTGILBTVZVGQC-SJORKVTESA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC2CC2)cc1 ZINC001716071061 1420527663 /nfs/dbraw/zinc/52/76/63/1420527663.db2.gz JJZGXULYWNRCGA-UXHICEINSA-N 2 0 343.515 3.036 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716140776 1420539276 /nfs/dbraw/zinc/53/92/76/1420539276.db2.gz BPIDXEXAEOTWCG-MBOZVWFJSA-N 2 0 345.531 3.135 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001716244338 1420579831 /nfs/dbraw/zinc/57/98/31/1420579831.db2.gz WVMLRRCVVNGESN-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP Cc1c(C(=O)NC/C=C/C[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001716314576 1420601591 /nfs/dbraw/zinc/60/15/91/1420601591.db2.gz ARZGTLGGGXVULQ-AATRIKPKSA-N 2 0 340.471 3.099 10 0 EGAERP Cc1c(C(=O)NC/C=C\C[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001716314577 1420601602 /nfs/dbraw/zinc/60/16/02/1420601602.db2.gz ARZGTLGGGXVULQ-WAYWQWQTSA-N 2 0 340.471 3.099 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716436721 1420657906 /nfs/dbraw/zinc/65/79/06/1420657906.db2.gz HOCTURIONDNWCR-FXAWDEMLSA-N 2 0 345.531 3.277 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001716491892 1420713552 /nfs/dbraw/zinc/71/35/52/1420713552.db2.gz HTCYBXUSQQZHSW-ZWKOTPCHSA-N 2 0 333.520 3.143 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001716507201 1420738388 /nfs/dbraw/zinc/73/83/88/1420738388.db2.gz BNZNYNSQMFFNBF-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001716507202 1420738443 /nfs/dbraw/zinc/73/84/43/1420738443.db2.gz BNZNYNSQMFFNBF-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001716547961 1420756823 /nfs/dbraw/zinc/75/68/23/1420756823.db2.gz YMMFFXBVJARQGF-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001716559548 1420760335 /nfs/dbraw/zinc/76/03/35/1420760335.db2.gz OEXRNVGLNOQLLN-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001716571408 1420764465 /nfs/dbraw/zinc/76/44/65/1420764465.db2.gz ASVGXMOSZVEXLS-GOSISDBHSA-N 2 0 345.531 3.226 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001716638119 1420795446 /nfs/dbraw/zinc/79/54/46/1420795446.db2.gz WPKHOLUINCBFHG-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001716642393 1420798129 /nfs/dbraw/zinc/79/81/29/1420798129.db2.gz LHNVPKBVAGWODT-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]Cc1ccccc1C ZINC001716642396 1420798199 /nfs/dbraw/zinc/79/81/99/1420798199.db2.gz LHNVPKBVAGWODT-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001716682003 1420836188 /nfs/dbraw/zinc/83/61/88/1420836188.db2.gz ARBWUBAGMRUIHT-JXCVUKRWSA-N 2 0 347.547 3.236 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001716682002 1420836286 /nfs/dbraw/zinc/83/62/86/1420836286.db2.gz ARBWUBAGMRUIHT-DDKKJVIOSA-N 2 0 347.547 3.236 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)CCCCC1 ZINC001716689175 1420842429 /nfs/dbraw/zinc/84/24/29/1420842429.db2.gz VMAAKRMZDAREEU-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001716711057 1420863797 /nfs/dbraw/zinc/86/37/97/1420863797.db2.gz QJABUVSMSAFWQR-AABGKKOBSA-N 2 0 349.563 3.361 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CCC)C2)CC1 ZINC001716727632 1420886456 /nfs/dbraw/zinc/88/64/56/1420886456.db2.gz GNZSLMAIBIDHCU-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001716734172 1420892773 /nfs/dbraw/zinc/89/27/73/1420892773.db2.gz OXAQUOFNTXCKCU-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1 ZINC001716819088 1420945545 /nfs/dbraw/zinc/94/55/45/1420945545.db2.gz QOLQSAQHMRSJBT-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001716848291 1420976371 /nfs/dbraw/zinc/97/63/71/1420976371.db2.gz ARTMQDUHDTZQDI-GHTZIAJQSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001716877580 1421003058 /nfs/dbraw/zinc/00/30/58/1421003058.db2.gz CIXYOBWPGVDXJG-HXUWFJFHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1)[NH+](C)C ZINC001716885128 1421008783 /nfs/dbraw/zinc/00/87/83/1421008783.db2.gz FWGKBKHJXOKUGD-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716984251 1421061194 /nfs/dbraw/zinc/06/11/94/1421061194.db2.gz FVTHKOBLUWXBBW-MJGOQNOKSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001716999968 1421070599 /nfs/dbraw/zinc/07/05/99/1421070599.db2.gz YBOLQACBVIKTPD-HAGHYFMRSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001717035751 1421089704 /nfs/dbraw/zinc/08/97/04/1421089704.db2.gz AALLVGNFFQBZQA-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717038645 1421093017 /nfs/dbraw/zinc/09/30/17/1421093017.db2.gz QCJVBTVQKLDOBW-YZBXUTEPSA-N 2 0 349.563 3.386 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001717042413 1421097004 /nfs/dbraw/zinc/09/70/04/1421097004.db2.gz QUZZNBWNSHVSOF-GBESFXJTSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)CC1 ZINC001717096990 1421108485 /nfs/dbraw/zinc/10/84/85/1421108485.db2.gz MWVOQHCFZIACKG-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717125194 1421127381 /nfs/dbraw/zinc/12/73/81/1421127381.db2.gz FTAMQDOGJUDBSD-MKXGPGLRSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001717127824 1421129389 /nfs/dbraw/zinc/12/93/89/1421129389.db2.gz DNVAZRHXZFUWRS-PXPVJAHISA-N 2 0 347.547 3.142 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CC2(C1)CC[NH+](C(C)C)CC2)c1ccccc1 ZINC001717130217 1421131089 /nfs/dbraw/zinc/13/10/89/1421131089.db2.gz MQRGEUXVYVZPCQ-IBGZPJMESA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001717150223 1421141166 /nfs/dbraw/zinc/14/11/66/1421141166.db2.gz SKUJMZDRUHYKJN-LJQANCHMSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001717152995 1421143520 /nfs/dbraw/zinc/14/35/20/1421143520.db2.gz LDZMSUKJHOSODQ-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717196512 1421162995 /nfs/dbraw/zinc/16/29/95/1421162995.db2.gz FXYQYPAQEHRIMF-ZRHASKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001717214241 1421190786 /nfs/dbraw/zinc/19/07/86/1421190786.db2.gz NUZBHGUYFNGJLF-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001717299110 1421242230 /nfs/dbraw/zinc/24/22/30/1421242230.db2.gz IDULUULBIYLKFS-UHFFFAOYSA-N 2 0 328.460 3.027 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001717336102 1421273253 /nfs/dbraw/zinc/27/32/53/1421273253.db2.gz NORTTXVMYIFPJC-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[NH2+]CC1CC(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717386831 1421326673 /nfs/dbraw/zinc/32/66/73/1421326673.db2.gz QIEAORUICNRDGR-UHFFFAOYSA-N 2 0 342.487 3.321 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001733293777 1429474466 /nfs/dbraw/zinc/47/44/66/1429474466.db2.gz VHVHSAWSNBORRU-SNAWJCMRSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001717409097 1421341875 /nfs/dbraw/zinc/34/18/75/1421341875.db2.gz MQYWCAXQVNHUIB-HUUCEWRRSA-N 2 0 345.512 3.106 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCC1)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717432882 1421361074 /nfs/dbraw/zinc/36/10/74/1421361074.db2.gz MKOLCHGCHZWYAD-SJORKVTESA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)cc1C ZINC001717442539 1421371794 /nfs/dbraw/zinc/37/17/94/1421371794.db2.gz PTEDFPGNBSRGQA-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccc(CC)cc1 ZINC001717474545 1421407903 /nfs/dbraw/zinc/40/79/03/1421407903.db2.gz OTIOGKWJPCZQCI-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001733296351 1429478636 /nfs/dbraw/zinc/47/86/36/1429478636.db2.gz GVLMDPRWHOMHDO-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585264 1421512231 /nfs/dbraw/zinc/51/22/31/1421512231.db2.gz NKQRVZFNQOFGIA-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001717588691 1421517694 /nfs/dbraw/zinc/51/76/94/1421517694.db2.gz FUJNDBGWGPFYSO-YQJUVHNHSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001717647136 1421549117 /nfs/dbraw/zinc/54/91/17/1421549117.db2.gz WHWVBPCXRCGIJP-LEAZDLGRSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001717652674 1421552030 /nfs/dbraw/zinc/55/20/30/1421552030.db2.gz QRBRFPGGFKHFAC-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001717670294 1421559618 /nfs/dbraw/zinc/55/96/18/1421559618.db2.gz CPHSXZNYLVGTHF-HOTGVXAUSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001717671319 1421559772 /nfs/dbraw/zinc/55/97/72/1421559772.db2.gz NDBGQMHBSUIACO-QFBILLFUSA-N 2 0 335.536 3.068 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1C ZINC001717682118 1421564370 /nfs/dbraw/zinc/56/43/70/1421564370.db2.gz CCOOLYYWFUKKDQ-SFHVURJKSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001717735584 1421600541 /nfs/dbraw/zinc/60/05/41/1421600541.db2.gz YZKWRSQFSIINSK-VDGAXYAQSA-N 2 0 347.547 3.044 10 0 EGAERP C[C@@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001717806300 1421631908 /nfs/dbraw/zinc/63/19/08/1421631908.db2.gz UOXFBIZBGFZXCJ-UYAOXDASSA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717825254 1421640062 /nfs/dbraw/zinc/64/00/62/1421640062.db2.gz DFYAHHIDOOUYLC-LJJUJYJISA-N 2 0 335.536 3.042 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001717830612 1421643037 /nfs/dbraw/zinc/64/30/37/1421643037.db2.gz VCAQYQYSDDFXGR-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001717844936 1421659352 /nfs/dbraw/zinc/65/93/52/1421659352.db2.gz AHRCGYCCYJFWHI-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001717846625 1421660803 /nfs/dbraw/zinc/66/08/03/1421660803.db2.gz OQCUBGGSOVVSRG-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873879 1421681347 /nfs/dbraw/zinc/68/13/47/1421681347.db2.gz WTCJFCMKCJWGAL-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001717895481 1421693275 /nfs/dbraw/zinc/69/32/75/1421693275.db2.gz MTQZZFZPIJIHCQ-IJDCCNJMSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001717905291 1421701224 /nfs/dbraw/zinc/70/12/24/1421701224.db2.gz PGBNHRREAQKDFV-TYFAACHXSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001717948726 1421715654 /nfs/dbraw/zinc/71/56/54/1421715654.db2.gz XUOPYDANDVRRHH-ACBHZAAOSA-N 2 0 337.552 3.076 10 0 EGAERP CCC(CC)C[N@H+](C)CCN(C(=O)[C@@]12CC[NH+](C1)CCC2)C(C)C ZINC001717952591 1421723647 /nfs/dbraw/zinc/72/36/47/1421723647.db2.gz ZSJNIIOMMCQDKX-FQEVSTJZSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C ZINC001717971628 1421743674 /nfs/dbraw/zinc/74/36/74/1421743674.db2.gz OPYIORONMCGJFD-PXNSSMCTSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001717972046 1421743725 /nfs/dbraw/zinc/74/37/25/1421743725.db2.gz YHAAZUUVNHZXBO-GOSISDBHSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001717997255 1421764956 /nfs/dbraw/zinc/76/49/56/1421764956.db2.gz LKKITYOUBDSMQV-LMDPOFIKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001733348089 1429529139 /nfs/dbraw/zinc/52/91/39/1429529139.db2.gz XKDPOYCALHKVAP-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001733379476 1429563381 /nfs/dbraw/zinc/56/33/81/1429563381.db2.gz GFFLFXUEQQXXFJ-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733414063 1429617451 /nfs/dbraw/zinc/61/74/51/1429617451.db2.gz XDDCEOWGCSQQFP-UYAOXDASSA-N 2 0 335.536 3.188 10 0 EGAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001733426759 1429634635 /nfs/dbraw/zinc/63/46/35/1429634635.db2.gz JPMCEYYJQNJFHX-SFHVURJKSA-N 2 0 337.533 3.052 10 0 EGAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001733436480 1429643884 /nfs/dbraw/zinc/64/38/84/1429643884.db2.gz YVWBVYJHSOSQDP-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C)C1CCC1 ZINC001722943280 1424270043 /nfs/dbraw/zinc/27/00/43/1424270043.db2.gz POZBTDRSWHVMFT-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001722957629 1424279575 /nfs/dbraw/zinc/27/95/75/1424279575.db2.gz ZWRTZBCCLLEHHM-MOPGFXCFSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001723141644 1424306964 /nfs/dbraw/zinc/30/69/64/1424306964.db2.gz DXVYPLRJODGRMV-KRWDZBQOSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1 ZINC001723203491 1424320089 /nfs/dbraw/zinc/32/00/89/1424320089.db2.gz KBTNGMWXFMCQNU-SFHVURJKSA-N 2 0 331.504 3.062 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC(C)(C)C)C3)CCC1 ZINC001733517163 1429726830 /nfs/dbraw/zinc/72/68/30/1429726830.db2.gz XSJUANLODIGEOQ-KSZLIROESA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CC2)C1 ZINC001723580354 1424474022 /nfs/dbraw/zinc/47/40/22/1424474022.db2.gz BLCZJPXGFPBLGV-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001723595923 1424482576 /nfs/dbraw/zinc/48/25/76/1424482576.db2.gz SBUQTQGAXOTBET-SFHVURJKSA-N 2 0 343.515 3.252 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001723641253 1424508889 /nfs/dbraw/zinc/50/88/89/1424508889.db2.gz VCJOVARNCHSKEU-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCCC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001723647135 1424510215 /nfs/dbraw/zinc/51/02/15/1424510215.db2.gz GDGPUYNYALUOID-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723727300 1424550841 /nfs/dbraw/zinc/55/08/41/1424550841.db2.gz QYOBTWWCDKJQEK-YEFOHOTDSA-N 2 0 347.547 3.143 10 0 EGAERP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001723781462 1424564767 /nfs/dbraw/zinc/56/47/67/1424564767.db2.gz AKYLSLGGMJSIOD-UHFFFAOYSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@@H](C)C1 ZINC001723859245 1424588671 /nfs/dbraw/zinc/58/86/71/1424588671.db2.gz FTXOYWIQTJDXSN-PXNSSMCTSA-N 2 0 345.531 3.377 10 0 EGAERP CCC(CC)C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001724025273 1424633159 /nfs/dbraw/zinc/63/31/59/1424633159.db2.gz GJFHDWVAHSNFLW-IAGOWNOFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733529446 1429736379 /nfs/dbraw/zinc/73/63/79/1429736379.db2.gz UPNWSTUKPWGTMK-DLBZAZTESA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537822 1429744090 /nfs/dbraw/zinc/74/40/90/1429744090.db2.gz IHUWUCSPKQIUJF-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724223612 1424742258 /nfs/dbraw/zinc/74/22/58/1424742258.db2.gz ALIBOKVHDLILHA-PVTFFILZSA-N 2 0 335.536 3.045 10 0 EGAERP CC1(CNC(=O)C[NH+]2CCCC2)CC[NH+](CC2CCCCCC2)CC1 ZINC001724306304 1424788233 /nfs/dbraw/zinc/78/82/33/1424788233.db2.gz ARDSEEASCRSQME-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(C)CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001724341903 1424837836 /nfs/dbraw/zinc/83/78/36/1424837836.db2.gz APMIHVHWQXFPKQ-FPOVZHCZSA-N 2 0 347.547 3.047 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001724508115 1424884837 /nfs/dbraw/zinc/88/48/37/1424884837.db2.gz KKJGKLJOELQVFM-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564954 1424916536 /nfs/dbraw/zinc/91/65/36/1424916536.db2.gz VTNSLURYGFLPDI-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001724614888 1424962012 /nfs/dbraw/zinc/96/20/12/1424962012.db2.gz CJDYIMWFKUVXAS-FQEVSTJZSA-N 2 0 345.531 3.135 10 0 EGAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001724614893 1424962138 /nfs/dbraw/zinc/96/21/38/1424962138.db2.gz CJDYIMWFKUVXAS-HXUWFJFHSA-N 2 0 345.531 3.135 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)C1 ZINC001733568692 1429771652 /nfs/dbraw/zinc/77/16/52/1429771652.db2.gz LRCJWJIDMAVVJW-UFYCRDLUSA-N 2 0 349.563 3.031 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733572768 1429776298 /nfs/dbraw/zinc/77/62/98/1429776298.db2.gz VOVXODHSJDNIRA-UXHICEINSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC001724750168 1425120041 /nfs/dbraw/zinc/12/00/41/1425120041.db2.gz RHPWGIWULSHTGO-QFBILLFUSA-N 2 0 349.494 3.043 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CCC2)CC1 ZINC001724794559 1425161168 /nfs/dbraw/zinc/16/11/68/1425161168.db2.gz PCVZYVJGPFIHIP-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001724832214 1425177857 /nfs/dbraw/zinc/17/78/57/1425177857.db2.gz DHNUOIHZMFVFTI-OXPKLIQGSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001724839981 1425188794 /nfs/dbraw/zinc/18/87/94/1425188794.db2.gz VPSSODOFAAWNLY-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](NC(=O)CC[NH+](C)C)CC1 ZINC001724846500 1425198863 /nfs/dbraw/zinc/19/88/63/1425198863.db2.gz VIWJRQDDBLOTHM-MOPGFXCFSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001724857917 1425235464 /nfs/dbraw/zinc/23/54/64/1425235464.db2.gz OZQJRGSAAKGCHY-SJORKVTESA-N 2 0 349.494 3.009 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001724882423 1425263808 /nfs/dbraw/zinc/26/38/08/1425263808.db2.gz BTWRHCAJAZHAAI-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@@H](c2ccccc2)N(C)C)CC1 ZINC001724890700 1425277536 /nfs/dbraw/zinc/27/75/36/1425277536.db2.gz DOSTYFVNUOGTEW-GOSISDBHSA-N 2 0 349.494 3.010 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)[NH+](CC)CC ZINC001725048960 1425480155 /nfs/dbraw/zinc/48/01/55/1425480155.db2.gz QERNIAVLYJLCLG-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001725052875 1425486391 /nfs/dbraw/zinc/48/63/91/1425486391.db2.gz INKBUPZDZHKWIM-ICSRJNTNSA-N 2 0 345.531 3.402 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001725052878 1425486958 /nfs/dbraw/zinc/48/69/58/1425486958.db2.gz INKBUPZDZHKWIM-UYAOXDASSA-N 2 0 345.531 3.402 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)(C)C ZINC001725061910 1425503270 /nfs/dbraw/zinc/50/32/70/1425503270.db2.gz ZQWPHELSXBIIOF-QGZVFWFLSA-N 2 0 325.541 3.076 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCCC1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001725089567 1425530925 /nfs/dbraw/zinc/53/09/25/1425530925.db2.gz LCBLBYOTZXOEMD-SJORKVTESA-N 2 0 337.552 3.314 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001725099056 1425543870 /nfs/dbraw/zinc/54/38/70/1425543870.db2.gz JQXLADOZMWJRBJ-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001725136313 1425610716 /nfs/dbraw/zinc/61/07/16/1425610716.db2.gz FWGWYHAMQBIFRN-UHFFFAOYSA-N 2 0 337.552 3.290 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001725138288 1425615045 /nfs/dbraw/zinc/61/50/45/1425615045.db2.gz YHIKATGFGGQERR-AOCRQIFASA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001725171866 1425681464 /nfs/dbraw/zinc/68/14/64/1425681464.db2.gz NUHNGTRMRZWNEB-JXFKEZNVSA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001725179726 1425702825 /nfs/dbraw/zinc/70/28/25/1425702825.db2.gz JJNDIKLISTXETM-LPHOPBHVSA-N 2 0 343.531 3.072 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)CC2CCCCC2)C1 ZINC001725180888 1425705521 /nfs/dbraw/zinc/70/55/21/1425705521.db2.gz VKVQDQVCHTVLRJ-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C\Cl)C(C)C ZINC001725212982 1425775097 /nfs/dbraw/zinc/77/50/97/1425775097.db2.gz KNTHDWOLXDKPRL-BEBBCNLGSA-N 2 0 343.943 3.076 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCC3CCCC3)CCCCC2)C1 ZINC001725231029 1425804448 /nfs/dbraw/zinc/80/44/48/1425804448.db2.gz ZCVTYGXVWYFAMK-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001725238359 1425832380 /nfs/dbraw/zinc/83/23/80/1425832380.db2.gz HCWVNXNQMJMSFX-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001725263644 1425895776 /nfs/dbraw/zinc/89/57/76/1425895776.db2.gz ILBCEGZCIKLISA-QZTJIDSGSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001725288894 1425930567 /nfs/dbraw/zinc/93/05/67/1425930567.db2.gz KATLGBIKXGOYQY-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[N@@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001725294051 1425940915 /nfs/dbraw/zinc/94/09/15/1425940915.db2.gz MSKXZZHPRORCPY-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725300450 1425949002 /nfs/dbraw/zinc/94/90/02/1425949002.db2.gz UEBXCJZPICUIGA-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1F ZINC001725387857 1426034863 /nfs/dbraw/zinc/03/48/63/1426034863.db2.gz ODGPUPKKMAXSQK-APWZRJJASA-N 2 0 349.494 3.073 10 0 EGAERP CC[C@H](C)C[NH2+]CCC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725401369 1426045068 /nfs/dbraw/zinc/04/50/68/1426045068.db2.gz ZNXGFLBLNVYMKD-GJZGRUSLSA-N 2 0 330.476 3.177 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)CCC2CCCCC2)CC1 ZINC001725424127 1426080968 /nfs/dbraw/zinc/08/09/68/1426080968.db2.gz IGEJBYBTCUMQGP-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c1 ZINC001725623856 1426290138 /nfs/dbraw/zinc/29/01/38/1426290138.db2.gz JJMPVRWSJACMGV-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)(C(=O)N[C@H]1CC[C@@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001725649278 1426331742 /nfs/dbraw/zinc/33/17/42/1426331742.db2.gz GKUPWUGQDCDMRE-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001725669151 1426352432 /nfs/dbraw/zinc/35/24/32/1426352432.db2.gz IMLYIYAOUVFIDW-DVBCCOPCSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)N(CC[N@@H+](C)CC[C@H](C)F)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725734400 1426407652 /nfs/dbraw/zinc/40/76/52/1426407652.db2.gz YYZLGQPAYZTFKX-ZWKOTPCHSA-N 2 0 343.531 3.168 10 0 EGAERP CC(C)N(CC[N@@H+](C)CC[C@H](C)F)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725734399 1426407869 /nfs/dbraw/zinc/40/78/69/1426407869.db2.gz YYZLGQPAYZTFKX-ROUUACIJSA-N 2 0 343.531 3.168 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725755211 1426434533 /nfs/dbraw/zinc/43/45/33/1426434533.db2.gz FXVIECAFANSJAW-MSOLQXFVSA-N 2 0 339.568 3.273 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CCC2CCCCC2)C1 ZINC001725789772 1426475955 /nfs/dbraw/zinc/47/59/55/1426475955.db2.gz NTLXTUBJORRTDD-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001731341741 1427280206 /nfs/dbraw/zinc/28/02/06/1427280206.db2.gz AYONPDYNLZOIDB-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001731456299 1427432258 /nfs/dbraw/zinc/43/22/58/1427432258.db2.gz PBQKIWFPXCZKKB-XLAORIBOSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001731501118 1427481193 /nfs/dbraw/zinc/48/11/93/1427481193.db2.gz PUFFAHPGZBJKMY-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001731548862 1427566060 /nfs/dbraw/zinc/56/60/60/1427566060.db2.gz JYJZXOLXVUZMHQ-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001731549263 1427566878 /nfs/dbraw/zinc/56/68/78/1427566878.db2.gz MKCPPBXPOIGGOB-PMACEKPBSA-N 2 0 345.531 3.450 10 0 EGAERP CC(C)c1ccc(C[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001731574193 1427617817 /nfs/dbraw/zinc/61/78/17/1427617817.db2.gz PUEHJEPLNUODGP-UHFFFAOYSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731600961 1427644408 /nfs/dbraw/zinc/64/44/08/1427644408.db2.gz KEVZQWCWLRXSEP-QZTJIDSGSA-N 2 0 343.515 3.026 10 0 EGAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001731606880 1427651850 /nfs/dbraw/zinc/65/18/50/1427651850.db2.gz BRQUWHINRCWPQF-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731616512 1427663928 /nfs/dbraw/zinc/66/39/28/1427663928.db2.gz MXUAPWLFOKKBFM-MSIWKICXSA-N 2 0 335.536 3.234 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001731700922 1427753092 /nfs/dbraw/zinc/75/30/92/1427753092.db2.gz DVAJJSCPKOJNDI-ROUUACIJSA-N 2 0 349.544 3.141 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2=CCCCC2)C1 ZINC001731721516 1427791836 /nfs/dbraw/zinc/79/18/36/1427791836.db2.gz UANLTIGDQAVXPP-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001731795260 1427947407 /nfs/dbraw/zinc/94/74/07/1427947407.db2.gz DCUFNFZPBXMCEV-QUCCMNQESA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731847913 1428073299 /nfs/dbraw/zinc/07/32/99/1428073299.db2.gz UZOYEGKITIAJAS-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC1=CCCCC1 ZINC001731863969 1428108705 /nfs/dbraw/zinc/10/87/05/1428108705.db2.gz BVHXYWSZQORJMP-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001731883175 1428155561 /nfs/dbraw/zinc/15/55/61/1428155561.db2.gz BWBVCZVOQWGXRD-LJQANCHMSA-N 2 0 347.547 3.022 10 0 EGAERP CN(CC[NH2+]Cc1cccc(F)c1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731925419 1428172687 /nfs/dbraw/zinc/17/26/87/1428172687.db2.gz JCPYGXMQTGZDIQ-UHFFFAOYSA-N 2 0 349.494 3.027 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731962588 1428185104 /nfs/dbraw/zinc/18/51/04/1428185104.db2.gz XLZDDIJEOJMZSA-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC(CC)CC ZINC001733602738 1429809623 /nfs/dbraw/zinc/80/96/23/1429809623.db2.gz RFGRVUWCIFXMBR-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001733606080 1429818072 /nfs/dbraw/zinc/81/80/72/1429818072.db2.gz ODYYFIPBCRGMRG-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664844 1429858816 /nfs/dbraw/zinc/85/88/16/1429858816.db2.gz CVPBPYOIDGHSGL-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCC2)C1 ZINC001733725503 1429950593 /nfs/dbraw/zinc/95/05/93/1429950593.db2.gz APNQBCRGYSRPBO-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001733763387 1429981484 /nfs/dbraw/zinc/98/14/84/1429981484.db2.gz JNJFBFBQTFDMOM-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733769933 1429998622 /nfs/dbraw/zinc/99/86/22/1429998622.db2.gz RECXZKQWIXAXEV-RRFGBZISSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733807468 1430079717 /nfs/dbraw/zinc/07/97/17/1430079717.db2.gz ZZXIOUAOXWJVBQ-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001733809375 1430084977 /nfs/dbraw/zinc/08/49/77/1430084977.db2.gz KIANZXHRQXYWQX-QZTJIDSGSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001733854097 1437687963 /nfs/dbraw/zinc/68/79/63/1437687963.db2.gz OBSILDKFABBPFB-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001733855392 1437688663 /nfs/dbraw/zinc/68/86/63/1437688663.db2.gz UBBQDPDODKKOGZ-XLIONFOSSA-N 2 0 345.531 3.235 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877439 1437704679 /nfs/dbraw/zinc/70/46/79/1437704679.db2.gz YYZAKWBGLVKVHN-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001733899125 1437716656 /nfs/dbraw/zinc/71/66/56/1437716656.db2.gz KCQKYDQVGGKTCP-OALUTQOASA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001733942527 1437758556 /nfs/dbraw/zinc/75/85/56/1437758556.db2.gz YLDAFINDKWBKOQ-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001733995643 1437789609 /nfs/dbraw/zinc/78/96/09/1437789609.db2.gz BZGRWYQGHKTVAD-ZWKOTPCHSA-N 2 0 345.531 3.098 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC1CCCCC1)C(=O)C12CC[NH+](CC1)C2 ZINC001734021593 1437810362 /nfs/dbraw/zinc/81/03/62/1437810362.db2.gz ATGDKNHKRXYHDR-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccsc1 ZINC001734041194 1437830052 /nfs/dbraw/zinc/83/00/52/1437830052.db2.gz WKVSVYNXAMKUBC-CRAIPNDOSA-N 2 0 349.544 3.092 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCC(C)(C)C ZINC001734046316 1437835250 /nfs/dbraw/zinc/83/52/50/1437835250.db2.gz MNZRJTBCKLNRLJ-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001734060478 1437854211 /nfs/dbraw/zinc/85/42/11/1437854211.db2.gz UUWDTNSGEJJRHT-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001734089353 1437874381 /nfs/dbraw/zinc/87/43/81/1437874381.db2.gz ZCTRYQVTNRBPLQ-GOSISDBHSA-N 2 0 335.536 3.068 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001734103268 1437888696 /nfs/dbraw/zinc/88/86/96/1437888696.db2.gz IGNWRQFRIFLMOF-PRPIBZDOSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001734258358 1437974992 /nfs/dbraw/zinc/97/49/92/1437974992.db2.gz CYTDAIHCNLNLHC-MOPGFXCFSA-N 2 0 345.531 3.020 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001734285450 1438013230 /nfs/dbraw/zinc/01/32/30/1438013230.db2.gz SQYYSMLNVDOFKU-UYAOXDASSA-N 2 0 345.531 3.498 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001734289325 1438019336 /nfs/dbraw/zinc/01/93/36/1438019336.db2.gz LKBQSETWWPOVDF-DFQSSKMNSA-N 2 0 345.531 3.271 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC001734308925 1438040562 /nfs/dbraw/zinc/04/05/62/1438040562.db2.gz PMOIFFGAVLEZMS-HNAYVOBHSA-N 2 0 349.494 3.054 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001734334380 1438056951 /nfs/dbraw/zinc/05/69/51/1438056951.db2.gz PRWZHRGBJMMHOM-MJRGOJFPSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001734398378 1438081829 /nfs/dbraw/zinc/08/18/29/1438081829.db2.gz GTYKNCMJZMTEIM-PKOBYXMFSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001734436269 1438098757 /nfs/dbraw/zinc/09/87/57/1438098757.db2.gz CMKYOQYQTKLANR-CTAFRAEOSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001734460620 1438117576 /nfs/dbraw/zinc/11/75/76/1438117576.db2.gz QQSVEMYWSZYCDJ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001734482007 1438127375 /nfs/dbraw/zinc/12/73/75/1438127375.db2.gz QUTUREOZIWDDOU-MOPGFXCFSA-N 2 0 337.552 3.173 10 0 EGAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001734505085 1438136965 /nfs/dbraw/zinc/13/69/65/1438136965.db2.gz SCLBWWYBDDFQTC-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)C2(C[NH+](C)C)CC2)C(C)C)cc1 ZINC001734551362 1438149192 /nfs/dbraw/zinc/14/91/92/1438149192.db2.gz DSHWYQKKSULTLA-UHFFFAOYSA-N 2 0 345.531 3.006 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)C[NH+](C)C1CCC1 ZINC001734552007 1438150311 /nfs/dbraw/zinc/15/03/11/1438150311.db2.gz URHVSLLKDNEYKH-UHFFFAOYSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001734552725 1438150723 /nfs/dbraw/zinc/15/07/23/1438150723.db2.gz WFEHPZDJGKUUPS-HKUYNNGSSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C/C=C/c1ccccc1)C(C)(C)C ZINC001734575111 1438168497 /nfs/dbraw/zinc/16/84/97/1438168497.db2.gz GMMLPTWVMLQWTB-YFPIXMDGSA-N 2 0 345.531 3.161 10 0 EGAERP CCCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001734607480 1438186507 /nfs/dbraw/zinc/18/65/07/1438186507.db2.gz UXNPCOQBYZJAJN-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001750929180 1440112321 /nfs/dbraw/zinc/11/23/21/1440112321.db2.gz ZKYPFMUMBDCDTG-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530119 168369063 /nfs/dbraw/zinc/36/90/63/168369063.db2.gz ISIQGYPORBNCQG-QCFAMHMHSA-N 2 0 329.532 3.217 10 0 EGAERP CC[NH+](CC)CCCn1c2ccc(C(F)(F)F)cc2nc1C[NH3+] ZINC000040403920 213299354 /nfs/dbraw/zinc/29/93/54/213299354.db2.gz GOWBJQZSLKJBAF-UHFFFAOYSA-N 2 0 328.382 3.246 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C2CCOCC2)CC1 ZINC000185338349 235643184 /nfs/dbraw/zinc/64/31/84/235643184.db2.gz IUJCXCGAMQOZDY-UHFFFAOYSA-N 2 0 325.456 3.153 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000037644491 213160946 /nfs/dbraw/zinc/16/09/46/213160946.db2.gz TZYUROYDZPQDOY-QWHCGFSZSA-N 2 0 341.293 3.450 10 0 EGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131210513 223213757 /nfs/dbraw/zinc/21/37/57/223213757.db2.gz QBIWRAKVNFYKMR-RTWAWAEBSA-N 2 0 329.532 3.186 10 0 EGAERP C[C@H]([NH3+])CCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000193320807 240107008 /nfs/dbraw/zinc/10/70/08/240107008.db2.gz VETHDFJNGAPSKM-SFHVURJKSA-N 2 0 343.515 3.161 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCn1nc(-c2ccc(F)cc2)c2c1CC[NH+](C)C2 ZINC000078685968 217102515 /nfs/dbraw/zinc/10/25/15/217102515.db2.gz POIDXPFRSRGYLE-KRWDZBQOSA-N 2 0 342.462 3.161 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccncc1 ZINC000111228379 220115325 /nfs/dbraw/zinc/11/53/25/220115325.db2.gz ULNZBOMTOXPGLM-UTKZUKDTSA-N 2 0 339.483 3.178 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000268808423 252261886 /nfs/dbraw/zinc/26/18/86/252261886.db2.gz AIAYWZBHTROMKY-HNNXBMFYSA-N 2 0 343.471 3.311 10 0 EGAERP CC[NH+]1CCN([C@@H](C)CNc2c(C)c[nH+]c3c(C)cccc23)CC1 ZINC000185273611 144109444 /nfs/dbraw/zinc/10/94/44/144109444.db2.gz PFOIFMBQOFEVOU-KRWDZBQOSA-N 2 0 326.488 3.290 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192110264 153242871 /nfs/dbraw/zinc/24/28/71/153242871.db2.gz HLQOWVXCQAQNJJ-YLJYHZDGSA-N 2 0 326.488 3.343 10 0 EGAERP COCCCC[NH+]1CCCC2(CCC[N@@H+](CCCCOC)C2)C1 ZINC000368244184 292320448 /nfs/dbraw/zinc/32/04/48/292320448.db2.gz RFGJXEKWGAODJG-UHFFFAOYSA-N 2 0 326.525 3.018 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)cc1)C(C)C ZINC000347008848 156244793 /nfs/dbraw/zinc/24/47/93/156244793.db2.gz JIOXGNZZMWJQGT-HXUWFJFHSA-N 2 0 343.515 3.226 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)cc1 ZINC000372765979 157378704 /nfs/dbraw/zinc/37/87/04/157378704.db2.gz KGQGDRFAPFSQMG-SESVDKBCSA-N 2 0 346.515 3.312 10 0 EGAERP CC[N@@H+]1CC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248990833 163049826 /nfs/dbraw/zinc/04/98/26/163049826.db2.gz NHVHKZNIZXBPMF-XSDIEEQYSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@H](O)CC(F)(F)F ZINC000249269744 163061622 /nfs/dbraw/zinc/06/16/22/163061622.db2.gz IYDWUPXPYPIPQH-WTTBNOFXSA-N 2 0 344.421 3.046 10 0 EGAERP CC(C)(C)OC(=O)[C@H]1CCCN1Cc1cc(-n2ccnc2)cs1 ZINC000346159804 164352567 /nfs/dbraw/zinc/35/25/67/164352567.db2.gz DCOFQKXUOFCUJN-OAHLLOKOSA-N 2 0 333.457 3.240 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000357238220 166623039 /nfs/dbraw/zinc/62/30/39/166623039.db2.gz MVZCEPATBWQVNB-ROUUACIJSA-N 2 0 325.541 3.077 10 0 EGAERP CC[C@H](C)[NH2+][C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566553 167194951 /nfs/dbraw/zinc/19/49/51/167194951.db2.gz WAXVDHWHOYAIDN-YESZJQIVSA-N 2 0 335.492 3.090 10 0 EGAERP Cc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366286106 168102663 /nfs/dbraw/zinc/10/26/63/168102663.db2.gz ROELFYMGJYJNFI-AOCRQIFASA-N 2 0 329.488 3.319 10 0 EGAERP CN(c1ccccc1C[NH2+][C@H]1CSC1(C)C)C1CC[NH+](C)CC1 ZINC000282654722 275657596 /nfs/dbraw/zinc/65/75/96/275657596.db2.gz IDLFFSGYVBBPOB-SFHVURJKSA-N 2 0 333.545 3.201 10 0 EGAERP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283493529 275728301 /nfs/dbraw/zinc/72/83/01/275728301.db2.gz YFVARMSRDZCOCV-JYWFKMLOSA-N 2 0 328.500 3.269 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353458612 276110786 /nfs/dbraw/zinc/11/07/86/276110786.db2.gz CYPLKNHOWMPCPB-NJDAHSKKSA-N 3 0 329.532 3.491 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[C@@H](C)O1 ZINC000353249507 288160486 /nfs/dbraw/zinc/16/04/86/288160486.db2.gz MSUGNZHWPPGMRH-LASHMREHSA-N 2 0 338.536 3.061 10 0 EGAERP C[C@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177968 309065119 /nfs/dbraw/zinc/06/51/19/309065119.db2.gz JKWXXXCSELWHRZ-IRXDYDNUSA-N 2 0 326.488 3.470 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCSC2)CC1 ZINC000152442006 307752796 /nfs/dbraw/zinc/75/27/96/307752796.db2.gz KRUWDMPQINHJKP-GOSISDBHSA-N 2 0 333.545 3.204 10 0 EGAERP Cc1ccc([C@H](CCn2cncn2)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414189961 309065709 /nfs/dbraw/zinc/06/57/09/309065709.db2.gz RPMLXGKKQVYAKN-FQEVSTJZSA-N 2 0 346.438 3.155 10 0 EGAERP CC(C)[C@H]1CCC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414305064 309071755 /nfs/dbraw/zinc/07/17/55/309071755.db2.gz NAIDRWITZCIOBD-UXHICEINSA-N 2 0 330.516 3.428 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414360655 309075094 /nfs/dbraw/zinc/07/50/94/309075094.db2.gz GZUJJGRBHGTXNY-OAHLLOKOSA-N 2 0 332.410 3.460 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378855 307973758 /nfs/dbraw/zinc/97/37/58/307973758.db2.gz BLITXHXPZARUEY-GVDBMIGSSA-N 2 0 339.524 3.096 10 0 EGAERP c1nc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cs1 ZINC000248887146 308014431 /nfs/dbraw/zinc/01/44/31/308014431.db2.gz MKLPQFAKGWALCW-REPLKXPHSA-N 2 0 327.497 3.471 10 0 EGAERP CC[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397760787 308904756 /nfs/dbraw/zinc/90/47/56/308904756.db2.gz KYVUBGUNXPPQDE-MOPGFXCFSA-N 2 0 330.516 3.428 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000415927696 309149260 /nfs/dbraw/zinc/14/92/60/309149260.db2.gz DRJIYAXPZKHXNC-QGZVFWFLSA-N 2 0 344.503 3.136 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000415953984 309151055 /nfs/dbraw/zinc/15/10/55/309151055.db2.gz LRBMIUGBHOYAIX-YESZJQIVSA-N 2 0 346.519 3.284 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415988491 309153247 /nfs/dbraw/zinc/15/32/47/309153247.db2.gz CXARDEQSGWEGFL-HZPDHXFCSA-N 2 0 344.503 3.169 10 0 EGAERP C[NH+](C)[C@@H](CC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000416144666 309160728 /nfs/dbraw/zinc/16/07/28/309160728.db2.gz OBKCCYNHLJLSKR-IBGZPJMESA-N 2 0 331.504 3.060 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000417557421 309211032 /nfs/dbraw/zinc/21/10/32/309211032.db2.gz RKBXGXLQRZKHFB-LPHOPBHVSA-N 2 0 346.519 3.160 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000420297343 309279872 /nfs/dbraw/zinc/27/98/72/309279872.db2.gz CZBMMIMQSFBXEW-LJQANCHMSA-N 2 0 340.467 3.323 10 0 EGAERP FC(F)(F)c1cccc([C@@H]2C[N@H+](CC[C@@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420297056 309279990 /nfs/dbraw/zinc/27/99/90/309279990.db2.gz FERSZZRTTLPVNX-YOEHRIQHSA-N 2 0 342.405 3.468 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000421880184 309344797 /nfs/dbraw/zinc/34/47/97/309344797.db2.gz QCWUORVXHDPUDH-WLYUNCDWSA-N 2 0 347.894 3.444 10 0 EGAERP COc1ccc([C@H](NC[C@H](C)C[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422709508 309364122 /nfs/dbraw/zinc/36/41/22/309364122.db2.gz KLQVDWFVFLGPTD-WMQCIHAUSA-N 2 0 345.531 3.200 10 0 EGAERP COc1ccc([C@H](NC[C@H]2CCC[N@@H+](C(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422740099 309365977 /nfs/dbraw/zinc/36/59/77/309365977.db2.gz MGUQRRXQNLGWCQ-QMMLZNLJSA-N 2 0 345.531 3.198 10 0 EGAERP CC[NH+](CC)[C@@H](CN[C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000422835677 309371110 /nfs/dbraw/zinc/37/11/10/309371110.db2.gz PYTIKSRGBVNNCB-FUHWJXTLSA-N 2 0 326.488 3.098 10 0 EGAERP C[C@H]1CC[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422901433 309375144 /nfs/dbraw/zinc/37/51/44/309375144.db2.gz CAGYNNQMIJPTDZ-KXEVLKFVSA-N 2 0 327.516 3.160 10 0 EGAERP CC[C@H](Cc1ccccc1Br)[NH2+][C@H](CCC[NH3+])COC ZINC000422928614 309376560 /nfs/dbraw/zinc/37/65/60/309376560.db2.gz LRMCREHEBUUDTA-HUUCEWRRSA-N 2 0 343.309 3.114 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423030547 309382136 /nfs/dbraw/zinc/38/21/36/309382136.db2.gz JZSZZLXJMJHLOM-MRXNPFEDSA-N 2 0 325.456 3.138 10 0 EGAERP COc1ccc([C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423077111 309384654 /nfs/dbraw/zinc/38/46/54/309384654.db2.gz SMPFLBXBRYKTIT-NRSPTQNISA-N 2 0 343.515 3.095 10 0 EGAERP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096995 309385798 /nfs/dbraw/zinc/38/57/98/309385798.db2.gz QFVWYJNRBSQCSG-GPFWEFOESA-N 2 0 334.891 3.333 10 0 EGAERP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1)N1CCCCC1 ZINC000423106560 309386300 /nfs/dbraw/zinc/38/63/00/309386300.db2.gz ZZTFLCZJMWJOFP-LCWAXJCOSA-N 2 0 347.547 3.068 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423136388 309387767 /nfs/dbraw/zinc/38/77/67/309387767.db2.gz YWEWIRDSWFDDGZ-RDJZCZTQSA-N 2 0 329.444 3.278 10 0 EGAERP C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000423222036 309391174 /nfs/dbraw/zinc/39/11/74/309391174.db2.gz ZHHCWZLLMOOVTF-RKFFNLMFSA-N 2 0 327.516 3.160 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249113 309392222 /nfs/dbraw/zinc/39/22/22/309392222.db2.gz OGFGFBFNFVKBIS-HZMBPMFUSA-N 2 0 327.241 3.165 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000423292157 309394285 /nfs/dbraw/zinc/39/42/85/309394285.db2.gz LSBGZTLINBCCMV-SJORKVTESA-N 3 0 341.499 3.498 10 0 EGAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423293632 309394314 /nfs/dbraw/zinc/39/43/14/309394314.db2.gz RUTIOFHACSIDQR-CVEARBPZSA-N 2 0 325.456 3.238 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000423405424 309398974 /nfs/dbraw/zinc/39/89/74/309398974.db2.gz TXPJYGXMSUDDAN-RWSFTLGLSA-N 2 0 329.257 3.107 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423537956 309405636 /nfs/dbraw/zinc/40/56/36/309405636.db2.gz LKKGNXYGXDRXMC-OAHLLOKOSA-N 2 0 335.289 3.206 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423559189 309406439 /nfs/dbraw/zinc/40/64/39/309406439.db2.gz OQHYUBRPJSOLJZ-MRXNPFEDSA-N 2 0 329.488 3.427 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCN2CCCC2=O)CC1 ZINC000449062470 310034099 /nfs/dbraw/zinc/03/40/99/310034099.db2.gz LPNLAQZPNLVYFJ-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449071352 310034756 /nfs/dbraw/zinc/03/47/56/310034756.db2.gz BCHPEWQAUYFETQ-UHFFFAOYSA-N 2 0 336.332 3.171 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000449082962 310035574 /nfs/dbraw/zinc/03/55/74/310035574.db2.gz RFOLPDWUAUDISH-QIJUGHKUSA-N 2 0 341.543 3.298 10 0 EGAERP COCC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449140698 310039929 /nfs/dbraw/zinc/03/99/29/310039929.db2.gz JWFCZEKZUGKKSN-IBGZPJMESA-N 2 0 328.541 3.043 10 0 EGAERP c1ccc(OC2CC2)c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000450314101 310114965 /nfs/dbraw/zinc/11/49/65/310114965.db2.gz AKUZDIDJLQWSNO-UHFFFAOYSA-N 2 0 344.499 3.162 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1OC(F)(F)F ZINC000453259768 310267353 /nfs/dbraw/zinc/26/73/53/310267353.db2.gz IMBSMXLBFDROOC-KBPBESRZSA-N 2 0 346.393 3.083 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453393576 310274426 /nfs/dbraw/zinc/27/44/26/310274426.db2.gz VGHLQSTZNJAYOB-JRSUCEMESA-N 2 0 328.500 3.180 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CC1(C)C ZINC000487305171 311019849 /nfs/dbraw/zinc/01/98/49/311019849.db2.gz MJCLYWPATKPHEU-VQIMIIECSA-N 2 0 343.515 3.036 10 0 EGAERP C[C@@H]([NH2+][C@H](CO)CC1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511032699 312153320 /nfs/dbraw/zinc/15/33/20/312153320.db2.gz TWCRGCWVZDGZPT-APWZRJJASA-N 2 0 334.504 3.219 10 0 EGAERP Brc1sccc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000527698758 312915633 /nfs/dbraw/zinc/91/56/33/312915633.db2.gz CGTFRUQEIBDSRL-UHFFFAOYSA-N 2 0 329.307 3.475 10 0 EGAERP CCc1ccc2[nH+]ccc(N3CCC(C)([NH+]4CCOCC4)CC3)c2c1 ZINC000528190418 313036226 /nfs/dbraw/zinc/03/62/26/313036226.db2.gz MSYCINPEAWWNSU-UHFFFAOYSA-N 2 0 339.483 3.488 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC(F)(F)C1 ZINC000529537019 313349056 /nfs/dbraw/zinc/34/90/56/313349056.db2.gz RXFYTLSFHVBBHN-AWEZNQCLSA-N 2 0 338.442 3.167 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@H](C)C1 ZINC000539044773 314292469 /nfs/dbraw/zinc/29/24/69/314292469.db2.gz SMYGWZFLOUCQAY-YRXWBPOGSA-N 2 0 340.552 3.307 10 0 EGAERP C[C@@H](CCc1ccccc1)C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000539382620 314310194 /nfs/dbraw/zinc/31/01/94/314310194.db2.gz OBQBWIBNZSPOTF-RBBKRZOGSA-N 2 0 343.559 3.357 10 0 EGAERP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000552033080 315190733 /nfs/dbraw/zinc/19/07/33/315190733.db2.gz KOCJJBUEEDYMGP-HBMCJLEFSA-N 2 0 329.532 3.389 10 0 EGAERP C[C@H](CCC(C)(C)C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000560244127 315668947 /nfs/dbraw/zinc/66/89/47/315668947.db2.gz JOMMZTOHRPRIIJ-GOSISDBHSA-N 2 0 347.551 3.183 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](O)Cc2cccc(Cl)c2)CC1 ZINC000561346601 315757966 /nfs/dbraw/zinc/75/79/66/315757966.db2.gz GRJWSFQYGGEDHL-IBGZPJMESA-N 2 0 338.923 3.297 10 0 EGAERP [NH3+]Cc1ccc(C[NH2+][C@@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000563811559 316072637 /nfs/dbraw/zinc/07/26/37/316072637.db2.gz AGYHAGLOYDEUAO-HXUWFJFHSA-N 2 0 332.451 3.498 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000567345682 316603475 /nfs/dbraw/zinc/60/34/75/316603475.db2.gz QBONKWMGXBFENL-FQEVSTJZSA-N 2 0 348.531 3.063 10 0 EGAERP c1ccc(CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@@H]2CCOC2)cc1 ZINC000571336851 317184765 /nfs/dbraw/zinc/18/47/65/317184765.db2.gz PMLGEXAOASAVOQ-JOCHJYFZSA-N 2 0 336.479 3.166 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC2(CCC(O)CC2)CC1 ZINC000574518226 317607048 /nfs/dbraw/zinc/60/70/48/317607048.db2.gz CSLIYSSTVVWAMF-UHFFFAOYSA-N 2 0 340.471 3.093 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000398182570 324295684 /nfs/dbraw/zinc/29/56/84/324295684.db2.gz XIVXLCTXTCYHAD-LPHOPBHVSA-N 2 0 338.451 3.416 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000578953530 325040172 /nfs/dbraw/zinc/04/01/72/325040172.db2.gz FKNULQHCRQEPMY-RTBURBONSA-N 2 0 329.532 3.013 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000581060242 325326056 /nfs/dbraw/zinc/32/60/56/325326056.db2.gz BIKGKKGSWUOIOQ-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000183212209 455252162 /nfs/dbraw/zinc/25/21/62/455252162.db2.gz SSKIZCFWTPNBQB-NFQUHZNNSA-N 2 0 332.488 3.001 10 0 EGAERP c1nc(CC[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000241383377 455267345 /nfs/dbraw/zinc/26/73/45/455267345.db2.gz MUYFVQRVMNTVMC-UHOSZYNNSA-N 2 0 327.497 3.186 10 0 EGAERP CCS(=O)(=O)c1ccc([C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517584 460593214 /nfs/dbraw/zinc/59/32/14/460593214.db2.gz KQKPDLREXPMMCY-ZBFHGGJFSA-N 2 0 338.517 3.004 10 0 EGAERP O[C@H](C[NH+]1CCC(C[NH2+]CCc2cccs2)CC1)c1ccccc1 ZINC000075603046 453910116 /nfs/dbraw/zinc/91/01/16/453910116.db2.gz AOZAQSMTZCBSPZ-HXUWFJFHSA-N 2 0 344.524 3.326 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000047144989 454334461 /nfs/dbraw/zinc/33/44/61/454334461.db2.gz VHNDJNJSCYIBJV-GOSISDBHSA-N 2 0 343.515 3.277 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc([S@](C)=O)cc1 ZINC000120937110 454366889 /nfs/dbraw/zinc/36/68/89/454366889.db2.gz JILSHXWPGCGMBU-JBEBIEQOSA-N 2 0 348.487 3.476 10 0 EGAERP CCN(CC)C(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737366 454474629 /nfs/dbraw/zinc/47/46/29/454474629.db2.gz UYYLAKNZULHTEL-QGZVFWFLSA-N 2 0 331.504 3.019 10 0 EGAERP CC[NH+](CC)[C@@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000048828828 454517847 /nfs/dbraw/zinc/51/78/47/454517847.db2.gz NKLMTCQCPHATAO-KRWDZBQOSA-N 2 0 348.535 3.056 10 0 EGAERP CCC[C@@H](C(=O)Nc1ccc(OCC[NH+]2CCCC2)c(C)c1)[NH+](C)C ZINC000161924419 454737347 /nfs/dbraw/zinc/73/73/47/454737347.db2.gz SFYYUCUYMDZHBK-SFHVURJKSA-N 2 0 347.503 3.138 10 0 EGAERP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000162215589 454759767 /nfs/dbraw/zinc/75/97/67/454759767.db2.gz RNZVRTQSQRGFDR-ZGXWSNOMSA-N 2 0 328.500 3.444 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000163437253 454847537 /nfs/dbraw/zinc/84/75/37/454847537.db2.gz IPAPABQIJAOBNH-JSGCOSHPSA-N 2 0 346.393 3.189 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000151272497 454962229 /nfs/dbraw/zinc/96/22/29/454962229.db2.gz NZGDQHCVXVHYGD-SJORKVTESA-N 2 0 342.483 3.346 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929382 455050126 /nfs/dbraw/zinc/05/01/26/455050126.db2.gz CUSVKPCVTSSBKV-APWZRJJASA-N 2 0 328.456 3.376 10 0 EGAERP c1nn2ccccc2c1C[NH+]1CCC(CCC[NH+]2CCCC2)CC1 ZINC000180039340 455120876 /nfs/dbraw/zinc/12/08/76/455120876.db2.gz JNVVHPAOMDYJDR-UHFFFAOYSA-N 2 0 326.488 3.422 10 0 EGAERP O[C@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147142 455139686 /nfs/dbraw/zinc/13/96/86/455139686.db2.gz OFEVWWDJVWDOJD-WNTWWTRPSA-N 2 0 328.500 3.323 10 0 EGAERP Cc1ccccc1[C@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000180495734 455182952 /nfs/dbraw/zinc/18/29/52/455182952.db2.gz POJVQZOGIZDNIA-DENIHFKCSA-N 2 0 337.511 3.310 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442799 455301331 /nfs/dbraw/zinc/30/13/31/455301331.db2.gz WPDKAJFLJCLWIJ-XJKSGUPXSA-N 2 0 334.895 3.389 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000158860613 455333929 /nfs/dbraw/zinc/33/39/29/455333929.db2.gz KAGDSNCLACJAJC-MRXNPFEDSA-N 2 0 345.535 3.169 10 0 EGAERP C[N@H+](C[C@H](O)C1CCCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000190613024 455352667 /nfs/dbraw/zinc/35/26/67/455352667.db2.gz FKXAEAJWXROPLE-CTNGQTDRSA-N 2 0 330.516 3.382 10 0 EGAERP c1cn(CCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000245867472 455388053 /nfs/dbraw/zinc/38/80/53/455388053.db2.gz QNJJPASSZBUQEM-NHCUHLMSSA-N 2 0 338.499 3.260 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000181944334 455402895 /nfs/dbraw/zinc/40/28/95/455402895.db2.gz GTSSNAUBNVJBTL-LJQANCHMSA-N 2 0 339.474 3.279 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@H]2CC[NH+](C)C[C@H]21 ZINC000245933236 455403317 /nfs/dbraw/zinc/40/33/17/455403317.db2.gz IMVRDFSSWYOXHY-WOJBJXKFSA-N 2 0 329.532 3.171 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000185341961 455543302 /nfs/dbraw/zinc/54/33/02/455543302.db2.gz BRPAZQBCBSOOQL-QGZVFWFLSA-N 2 0 325.456 3.010 10 0 EGAERP C[C@@H](CCc1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182601025 455550832 /nfs/dbraw/zinc/55/08/32/455550832.db2.gz DWOSJXCCZDZSIS-WTBLGDFPSA-N 2 0 341.543 3.251 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccsc1 ZINC000268989286 455755570 /nfs/dbraw/zinc/75/55/70/455755570.db2.gz GOKYCUSPAKTDIN-AYOQOUSVSA-N 2 0 330.497 3.282 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[nH]n1 ZINC000252487540 455810573 /nfs/dbraw/zinc/81/05/73/455810573.db2.gz YWDKSTPIWLATPN-GDVKCFTOSA-N 2 0 338.499 3.149 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC2(C)OCCCO2)CC1 ZINC000285391908 455834550 /nfs/dbraw/zinc/83/45/50/455834550.db2.gz WUGAACNBHVSPIF-UHFFFAOYSA-N 2 0 332.488 3.172 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000261627411 455916485 /nfs/dbraw/zinc/91/64/85/455916485.db2.gz VKVQJJSQXMALRJ-MJVIPROJSA-N 2 0 327.266 3.106 10 0 EGAERP COc1cc(C)nc(CN2CC[NH2+]C[C@H]2c2ccccc2Cl)c1 ZINC000261651696 455921476 /nfs/dbraw/zinc/92/14/76/455921476.db2.gz HILOJHXKSMSLAP-SFHVURJKSA-N 2 0 331.847 3.199 10 0 EGAERP [NH3+]C[C@@H]1C[N@H+](CCOc2ccc(Cl)cc2)C[C@H]1c1ccccc1 ZINC000261778669 455946535 /nfs/dbraw/zinc/94/65/35/455946535.db2.gz PJMHVLDSUKVLLD-APWZRJJASA-N 2 0 330.859 3.393 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000286301709 456018742 /nfs/dbraw/zinc/01/87/42/456018742.db2.gz WSGHBPJCYYAJRH-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP Cc1nc2c(c(N3CCc4c(nc(C(C)C)n4C)C3)n1)CCCC2 ZINC000272862762 456093531 /nfs/dbraw/zinc/09/35/31/456093531.db2.gz MJGXDFAWPACIRP-UHFFFAOYSA-N 2 0 325.460 3.083 10 0 EGAERP C[C@@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000281108540 456136548 /nfs/dbraw/zinc/13/65/48/456136548.db2.gz CDDATLKQCUABSJ-HNNXBMFYSA-N 2 0 344.421 3.338 10 0 EGAERP COc1cnccc1[C@H](C)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000188795017 456139922 /nfs/dbraw/zinc/13/99/22/456139922.db2.gz XVUMSQLKNBNKGB-CVEARBPZSA-N 2 0 343.471 3.442 10 0 EGAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC000352817118 456332916 /nfs/dbraw/zinc/33/29/16/456332916.db2.gz PSMKWAFRXPRFPE-HMXCVIKNSA-N 2 0 328.500 3.400 10 0 EGAERP O[C@@H](C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048551 456399390 /nfs/dbraw/zinc/39/93/90/456399390.db2.gz LXWNAMCKJFBBGO-APWZRJJASA-N 2 0 343.446 3.272 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000340475722 456482775 /nfs/dbraw/zinc/48/27/75/456482775.db2.gz NJIGISAJIRFTLB-HXUWFJFHSA-N 2 0 341.503 3.223 10 0 EGAERP CSC1(C[NH2+]Cc2cnc(CC(C)C)s2)CC[NH+](C)CC1 ZINC000353217869 456567550 /nfs/dbraw/zinc/56/75/50/456567550.db2.gz ZPPJWVOGKNNMCA-UHFFFAOYSA-N 2 0 327.563 3.259 10 0 EGAERP COC1(C[C@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000277057213 456666495 /nfs/dbraw/zinc/66/64/95/456666495.db2.gz HRXIMQXTPHKXEL-ICSRJNTNSA-N 2 0 330.516 3.488 10 0 EGAERP CN(C)c1ccc(N[C@H]2CCC[N@H+](Cc3ccncc3)CC2)cn1 ZINC000328622914 456722125 /nfs/dbraw/zinc/72/21/25/456722125.db2.gz BPMQILDVCGUYCC-KRWDZBQOSA-N 2 0 325.460 3.009 10 0 EGAERP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000338637743 456848680 /nfs/dbraw/zinc/84/86/80/456848680.db2.gz OWWSACUZQIPPAU-LEWJYISDSA-N 2 0 345.531 3.295 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339067411 456924736 /nfs/dbraw/zinc/92/47/36/456924736.db2.gz HQNAYYHVWXCSLF-RTWAWAEBSA-N 2 0 327.516 3.389 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC(C[NH+]2CCCC2)CC1 ZINC000359904924 457141339 /nfs/dbraw/zinc/14/13/39/457141339.db2.gz WMMGBMYMTROUTR-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CC[C@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356954503 457241478 /nfs/dbraw/zinc/24/14/78/457241478.db2.gz DEBCJKYHHNOZFE-PMACEKPBSA-N 2 0 338.536 3.016 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)C[N@@H+]1Cc1ccccc1 ZINC000354794391 457319041 /nfs/dbraw/zinc/31/90/41/457319041.db2.gz KLOJAUSFJSRIHW-HOJAQTOUSA-N 2 0 343.515 3.030 10 0 EGAERP N#Cc1cc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)ccn1 ZINC000389058827 457433812 /nfs/dbraw/zinc/43/38/12/457433812.db2.gz IQGWLLLPNJVKEM-UHFFFAOYSA-N 2 0 346.478 3.441 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000397983653 457494331 /nfs/dbraw/zinc/49/43/31/457494331.db2.gz NNFSIMSXIUGJTB-JRGCBEDISA-N 2 0 330.516 3.428 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000425361454 457520575 /nfs/dbraw/zinc/52/05/75/457520575.db2.gz SGEHAEIGKNHVQP-QGWWYQLQSA-N 2 0 334.529 3.279 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H](C)C[NH+](C)C ZINC000425940670 457656124 /nfs/dbraw/zinc/65/61/24/457656124.db2.gz AGQFVOGNAPJKGY-NWDGAFQWSA-N 2 0 331.273 3.307 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000364820951 457699520 /nfs/dbraw/zinc/69/95/20/457699520.db2.gz ZAHXALLWUQOJHX-AZUAARDMSA-N 3 0 329.532 3.219 10 0 EGAERP Cc1ccccc1[C@H]([C@@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000357845530 457708930 /nfs/dbraw/zinc/70/89/30/457708930.db2.gz DOACOQRDWSXDBQ-LQWHRVPQSA-N 2 0 345.531 3.367 10 0 EGAERP C[NH+](C)CCCC1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000426915268 457925249 /nfs/dbraw/zinc/92/52/49/457925249.db2.gz FFLXNBULLWGENL-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000375860044 458099373 /nfs/dbraw/zinc/09/93/73/458099373.db2.gz GJBZOVVSBONVJN-KSZLIROESA-N 2 0 332.488 3.099 10 0 EGAERP Cc1cnc([C@@H](C)[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)cn1 ZINC000428289622 458113455 /nfs/dbraw/zinc/11/34/55/458113455.db2.gz KHLQWVAYNCDZTQ-QGZVFWFLSA-N 2 0 339.487 3.480 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccco1 ZINC000358624156 458114906 /nfs/dbraw/zinc/11/49/06/458114906.db2.gz FGPHXDGURUHWNB-QGZVFWFLSA-N 2 0 349.519 3.291 10 0 EGAERP c1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000436253521 458276263 /nfs/dbraw/zinc/27/62/63/458276263.db2.gz MZZWZMAZOMUJRO-QFUCXCTJSA-N 2 0 328.500 3.413 10 0 EGAERP C[C@@H]1CN(c2ccccc2C[NH+]2CCC(c3c[nH]cn3)CC2)CCO1 ZINC000459361519 458343332 /nfs/dbraw/zinc/34/33/32/458343332.db2.gz ZZRGGZRTGZJUAA-MRXNPFEDSA-N 2 0 340.471 3.014 10 0 EGAERP [NH3+]C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512117 458447715 /nfs/dbraw/zinc/44/77/15/458447715.db2.gz UODMSAMUIJMLPS-WOZUAGRISA-N 2 0 327.516 3.289 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc2ccccc2n1 ZINC000423512245 458447838 /nfs/dbraw/zinc/44/78/38/458447838.db2.gz ONGJRGUQICSJPX-IPJUCJBFSA-N 2 0 338.499 3.102 10 0 EGAERP C[C@@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521796 458451071 /nfs/dbraw/zinc/45/10/71/458451071.db2.gz TXOFZXMJTJHFGN-VVWCADPZSA-N 2 0 345.506 3.255 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527079 458452707 /nfs/dbraw/zinc/45/27/07/458452707.db2.gz MBRMULPWGZKUFW-BMEVBBHWSA-N 2 0 332.532 3.325 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC([NH3+])CC1 ZINC000437778833 458491964 /nfs/dbraw/zinc/49/19/64/458491964.db2.gz ULXNAQUXVQQXCN-FNBIGBAISA-N 2 0 329.257 3.379 10 0 EGAERP [NH3+][C@@H](CCC(=O)NC1CC([NH+]2CCCCC2)C1)CC1CCCCC1 ZINC000424184089 458579215 /nfs/dbraw/zinc/57/92/15/458579215.db2.gz XBORWJPBSKQNNJ-VIQWUECVSA-N 2 0 335.536 3.197 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273028 458601529 /nfs/dbraw/zinc/60/15/29/458601529.db2.gz RXSYZDQPMHPSQD-BIRZXAFVSA-N 2 0 342.527 3.344 10 0 EGAERP C[C@@H](CCc1ccc2c(c1)OCO2)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373833696 458618999 /nfs/dbraw/zinc/61/89/99/458618999.db2.gz WPEIMTMHSSAJLI-ZLPCBKJTSA-N 2 0 330.472 3.343 10 0 EGAERP C[C@@H](CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[S@](C)=O ZINC000438845348 458620397 /nfs/dbraw/zinc/62/03/97/458620397.db2.gz YOVQSPVMWSAKHQ-SGHJIKFBSA-N 2 0 336.545 3.176 10 0 EGAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000431771345 458621454 /nfs/dbraw/zinc/62/14/54/458621454.db2.gz NSKYOSFMFIUICM-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc2c(NCC3([NH+]4CCCC4)CCOCC3)c(C)c[nH+]c12 ZINC000462482863 458623993 /nfs/dbraw/zinc/62/39/93/458623993.db2.gz BSJITSDXKLBBFC-UHFFFAOYSA-N 2 0 339.483 3.330 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)c1 ZINC000462791716 458654807 /nfs/dbraw/zinc/65/48/07/458654807.db2.gz LYXHISJITRNEOY-VAMGGRTRSA-N 2 0 346.515 3.312 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000576844880 458933483 /nfs/dbraw/zinc/93/34/83/458933483.db2.gz VPRNIOWBHRNBLE-SCAQPMJSSA-N 2 0 328.460 3.259 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccncc2OCCC[NH+](C)C)cc(C)c1O ZINC000566529403 458953470 /nfs/dbraw/zinc/95/34/70/458953470.db2.gz KCLMJFWXCBJTMZ-UHFFFAOYSA-N 2 0 343.471 3.024 10 0 EGAERP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000577595133 459057824 /nfs/dbraw/zinc/05/78/24/459057824.db2.gz WZQIWDYXEZORLK-WMZOPIPTSA-N 2 0 339.487 3.041 10 0 EGAERP CC(C)Cc1ncc(C[N@@H+]2CCC[C@H](N3CCOCC3)CC2)s1 ZINC000577626917 459064668 /nfs/dbraw/zinc/06/46/68/459064668.db2.gz YVCHFAMYCVRIHA-INIZCTEOSA-N 2 0 337.533 3.028 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123157 459074530 /nfs/dbraw/zinc/07/45/30/459074530.db2.gz NTMXRFYHIMMZEL-YLFCFFPRSA-N 2 0 339.524 3.094 10 0 EGAERP Cc1nc(C[NH+]2CCC(C[N@@H+](C)C(C)C)CC2)nc2ccccc12 ZINC000532950113 459167019 /nfs/dbraw/zinc/16/70/19/459167019.db2.gz LMRJZPTXVIQZRK-UHFFFAOYSA-N 2 0 326.488 3.490 10 0 EGAERP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000583463406 459542540 /nfs/dbraw/zinc/54/25/40/459542540.db2.gz AAPWKACJTZZKGK-HKUYNNGSSA-N 2 0 331.504 3.494 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]C2(c3cccc(F)c3)CCC2)CC[NH2+]CC1 ZINC000592470814 459608514 /nfs/dbraw/zinc/60/85/14/459608514.db2.gz JPXKBKTUKWRYOX-HNNXBMFYSA-N 2 0 348.462 3.116 10 0 EGAERP COc1cccc([C@@H]2[C@H]([NH2+]C3CCC(C[NH3+])CC3)CCN2C2CC2)c1 ZINC000583928836 459619492 /nfs/dbraw/zinc/61/94/92/459619492.db2.gz SIDZTUFBCXWBSH-PNLCSNJCSA-N 2 0 343.515 3.080 10 0 EGAERP Cc1cccc(C)c1NC(=O)CN(C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000584177887 459673954 /nfs/dbraw/zinc/67/39/54/459673954.db2.gz QLYJFMGZVVIPOB-UHFFFAOYSA-N 2 0 337.467 3.020 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527670214 459694310 /nfs/dbraw/zinc/69/43/10/459694310.db2.gz MALYWZXABLBSDZ-NQERJWCQSA-N 2 0 328.500 3.168 10 0 EGAERP CC(C)n1ccc(C[C@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)n1 ZINC000573555898 459695672 /nfs/dbraw/zinc/69/56/72/459695672.db2.gz RQAPFQUNRFYWDI-SHNPODPLSA-N 2 0 330.520 3.138 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2CCCc3c(C)cccc32)CC[NH2+]CC1 ZINC000596651998 459714759 /nfs/dbraw/zinc/71/47/59/459714759.db2.gz DXAZAJFVAKSOQS-APWZRJJASA-N 2 0 344.499 3.283 10 0 EGAERP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000573926836 459757690 /nfs/dbraw/zinc/75/76/90/459757690.db2.gz ICRDPXASUKZXQN-QFIPXVFZSA-N 2 0 338.495 3.351 10 0 EGAERP Cc1cc2ncc([C@H](C)[NH2+]C[C@H]3CCN3C3CCCC3)c(C)n2n1 ZINC000528007785 459794482 /nfs/dbraw/zinc/79/44/82/459794482.db2.gz CHXHJCLYSDXXDY-WMLDXEAASA-N 2 0 327.476 3.014 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000566095190 459804615 /nfs/dbraw/zinc/80/46/15/459804615.db2.gz CXLILVLKJYEGSF-IPMKNSEASA-N 2 0 335.536 3.055 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575195076 459946940 /nfs/dbraw/zinc/94/69/40/459946940.db2.gz ASSVTGVHCQBHRF-KNCCTNLNSA-N 2 0 339.886 3.474 10 0 EGAERP CCC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631565732 460445963 /nfs/dbraw/zinc/44/59/63/460445963.db2.gz LGHZNSIKVFPJKY-UYAOXDASSA-N 2 0 332.536 3.093 10 0 EGAERP CCOc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OCC ZINC000623338054 460496236 /nfs/dbraw/zinc/49/62/36/460496236.db2.gz IODOQKDDUZFDGA-KRWDZBQOSA-N 2 0 334.504 3.489 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)c(SC)cc1OC ZINC000634732424 460497558 /nfs/dbraw/zinc/49/75/58/460497558.db2.gz GKPGFZCDYHGXJT-AWEZNQCLSA-N 2 0 338.517 3.294 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1(C)C ZINC000623379284 460518740 /nfs/dbraw/zinc/51/87/40/460518740.db2.gz HNDIDIRSNCOVQY-CABCVRRESA-N 2 0 337.458 3.254 10 0 EGAERP Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)CC2)cc1 ZINC000623397848 460526974 /nfs/dbraw/zinc/52/69/74/460526974.db2.gz RZZJKXYDJQJWDG-LJQANCHMSA-N 2 0 343.515 3.062 10 0 EGAERP CCc1noc(-c2ccc(CC[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)cc2)n1 ZINC000623405370 460531325 /nfs/dbraw/zinc/53/13/25/460531325.db2.gz DSFVHFBIJNWJGN-KRWDZBQOSA-N 2 0 342.487 3.304 10 0 EGAERP C[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC1(C)C ZINC000623942887 460789321 /nfs/dbraw/zinc/78/93/21/460789321.db2.gz XMNOLVRGLJINPH-FQEVSTJZSA-N 2 0 345.531 3.176 10 0 EGAERP [NH3+]C1(C[NH2+][C@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000629518921 460793186 /nfs/dbraw/zinc/79/31/86/460793186.db2.gz COEFXIAOZPMPPD-ZBFHGGJFSA-N 2 0 342.405 3.439 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc2ccccc2c1OC(F)F ZINC000629529005 460797124 /nfs/dbraw/zinc/79/71/24/460797124.db2.gz OYHKJOZKTLMJRY-ZDUSSCGKSA-N 2 0 338.398 3.328 10 0 EGAERP Cc1nc(-c2ccc(C)cc2)sc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629542487 460800708 /nfs/dbraw/zinc/80/07/08/460800708.db2.gz ZANLLOWWYGSLEL-AWEZNQCLSA-N 2 0 333.501 3.443 10 0 EGAERP CC[C@@H](c1ccc(Br)cc1)[N@H+](C)CCOCC[NH2+]C ZINC000629572207 460813134 /nfs/dbraw/zinc/81/31/34/460813134.db2.gz XXGTVVUBAIMDCG-HNNXBMFYSA-N 2 0 329.282 3.068 10 0 EGAERP Clc1cncc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c1 ZINC000621276078 460971713 /nfs/dbraw/zinc/97/17/13/460971713.db2.gz SNKXTOYIWBTJLJ-UHFFFAOYSA-N 2 0 337.895 3.059 10 0 EGAERP COc1ccc(C[NH+]2CCC(CC[NH+](C)C)CC2)cc1OC1CC1 ZINC000628152655 461020322 /nfs/dbraw/zinc/02/03/22/461020322.db2.gz JRGYAYGBNRUTCP-UHFFFAOYSA-N 2 0 332.488 3.400 10 0 EGAERP CC[C@@H]1CCCC[C@@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000628279947 461070421 /nfs/dbraw/zinc/07/04/21/461070421.db2.gz IXEXQSQKUXMEID-APISQKPESA-N 2 0 333.564 3.446 10 0 EGAERP FC(F)(F)c1ccccc1C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CC1 ZINC000662250426 461143709 /nfs/dbraw/zinc/14/37/09/461143709.db2.gz HSBOUKKNCLTLCM-HNNXBMFYSA-N 2 0 340.389 3.191 10 0 EGAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662270844 461158683 /nfs/dbraw/zinc/15/86/83/461158683.db2.gz PVQWSXLYDSSHJS-BZSNNMDCSA-N 2 0 338.442 3.083 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280060 461163662 /nfs/dbraw/zinc/16/36/62/461163662.db2.gz BXDSYFNLKRIEJM-XJKSGUPXSA-N 2 0 326.843 3.287 10 0 EGAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662304543 461180150 /nfs/dbraw/zinc/18/01/50/461180150.db2.gz AMAOVBZJSGFWQH-JOCHJYFZSA-N 2 0 349.522 3.081 10 0 EGAERP CC(C)O[C@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662324803 461192958 /nfs/dbraw/zinc/19/29/58/461192958.db2.gz YBFIFTFZMTWHDX-VQTJNVASSA-N 2 0 334.504 3.195 10 0 EGAERP c1ccc(N2CC[C@@H](C[N@@H+]3CCC[C@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106084 461241347 /nfs/dbraw/zinc/24/13/47/461241347.db2.gz YKTZDBXMUZJZFI-FPOVZHCZSA-N 2 0 327.516 3.463 10 0 EGAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662459478 461251656 /nfs/dbraw/zinc/25/16/56/461251656.db2.gz ZPQVNUHRNPOCTI-RTBURBONSA-N 2 0 343.515 3.060 10 0 EGAERP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122058 461256399 /nfs/dbraw/zinc/25/63/99/461256399.db2.gz KJAFNZBQZOUCJE-WOJBJXKFSA-N 2 0 327.516 3.321 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)CC(C)C ZINC000662493119 461268505 /nfs/dbraw/zinc/26/85/05/461268505.db2.gz FUICQGFUOLMLLL-PKOBYXMFSA-N 2 0 331.504 3.094 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)CC(C)C ZINC000662493118 461269183 /nfs/dbraw/zinc/26/91/83/461269183.db2.gz FUICQGFUOLMLLL-MJGOQNOKSA-N 2 0 331.504 3.094 10 0 EGAERP C[C@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000659292984 461279514 /nfs/dbraw/zinc/27/95/14/461279514.db2.gz SZVTVQFFBLQCBU-MDZRGWNJSA-N 2 0 343.515 3.058 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)C1 ZINC000668488710 461303498 /nfs/dbraw/zinc/30/34/98/461303498.db2.gz DVHYSSVHFWCDDC-HXUWFJFHSA-N 2 0 344.886 3.239 10 0 EGAERP CCC1([NH+]2CCCC2)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC000633957751 461354968 /nfs/dbraw/zinc/35/49/68/461354968.db2.gz PRZSPDHWUBBSSB-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000646694126 461372858 /nfs/dbraw/zinc/37/28/58/461372858.db2.gz ZHTKOXZVHDIFMY-RTBURBONSA-N 2 0 331.504 3.191 10 0 EGAERP Cn1c2ccc(C(F)(F)F)cc2nc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827647 461482437 /nfs/dbraw/zinc/48/24/37/461482437.db2.gz WGJQYEBCTWMDQQ-BJHJDKERSA-N 2 0 340.393 3.022 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000655838671 461489304 /nfs/dbraw/zinc/48/93/04/461489304.db2.gz HFWWVZVMNXYTTA-BRSBDYLESA-N 2 0 326.525 3.059 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647199183 461559958 /nfs/dbraw/zinc/55/99/58/461559958.db2.gz QODAHQBXNKSPHN-FQEVSTJZSA-N 2 0 325.500 3.035 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2Sc3ccccc3NC2=O)[C@H](C)C1 ZINC000660080825 461573866 /nfs/dbraw/zinc/57/38/66/461573866.db2.gz AZCNGBYYJQGBDE-HFTRVMKXSA-N 2 0 347.528 3.152 10 0 EGAERP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)[C@H]21 ZINC000631191920 461630112 /nfs/dbraw/zinc/63/01/12/461630112.db2.gz ISISQDGBWMXSMU-GLTXGFNMSA-N 2 0 347.300 3.304 10 0 EGAERP C[C@H]1C[C@@H](C[N@@H+]2CCOc3cccc(Br)c3C2)CC[NH2+]1 ZINC000656194031 461641246 /nfs/dbraw/zinc/64/12/46/461641246.db2.gz BVVOLAVJDOSLBO-STQMWFEESA-N 2 0 339.277 3.032 10 0 EGAERP [NH3+][C@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199755 461644798 /nfs/dbraw/zinc/64/47/98/461644798.db2.gz BZDVBQSRFMOXMG-GJZGRUSLSA-N 2 0 328.378 3.476 10 0 EGAERP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccnn2C)c1 ZINC000647479370 461725445 /nfs/dbraw/zinc/72/54/45/461725445.db2.gz DOLLCGWEPLPRET-ICSRJNTNSA-N 2 0 338.499 3.360 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCc3ccncc3)C2)cc1 ZINC000656405670 461735797 /nfs/dbraw/zinc/73/57/97/461735797.db2.gz QIZBXQDRJXEAGM-MLCQCVOFSA-N 2 0 347.506 3.467 10 0 EGAERP COc1ccc([C@H](Nc2cnn(-c3cc[nH+]cc3)c2)[C@@H]2CCC[NH2+]2)cc1 ZINC000643469359 461739084 /nfs/dbraw/zinc/73/90/84/461739084.db2.gz NTZCTYHYRJKVOZ-PMACEKPBSA-N 2 0 349.438 3.181 10 0 EGAERP CC1=C(C)C[C@@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000639164380 461774563 /nfs/dbraw/zinc/77/45/63/461774563.db2.gz QRYRSDAVBWHCTN-XIBWBMNSSA-N 2 0 347.547 3.185 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH+]1CC(C2CCOCC2)C1 ZINC000669715713 461777263 /nfs/dbraw/zinc/77/72/63/461777263.db2.gz GIUKZVRFMUCYEX-UHFFFAOYSA-N 2 0 344.499 3.020 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2ccc(-n3ccc(C(F)(F)F)n3)cc2)CC1 ZINC000650713574 461906742 /nfs/dbraw/zinc/90/67/42/461906742.db2.gz WVSLHMIPYRWCHD-UHFFFAOYSA-N 2 0 338.377 3.110 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(-c2cccc(F)c2)nc1C ZINC000650720530 461912655 /nfs/dbraw/zinc/91/26/55/461912655.db2.gz SBSPQDDSROSSII-UHFFFAOYSA-N 2 0 338.430 3.329 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccc(N2CCOCC2)c1 ZINC000650758027 461938513 /nfs/dbraw/zinc/93/85/13/461938513.db2.gz HEPCKJJLBBQICD-QGZVFWFLSA-N 2 0 339.483 3.093 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532041 461973170 /nfs/dbraw/zinc/97/31/70/461973170.db2.gz VKMBKODROPETNL-OALUTQOASA-N 2 0 348.531 3.260 10 0 EGAERP C[N@H+](CCCNCc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657297788 462026390 /nfs/dbraw/zinc/02/63/90/462026390.db2.gz KZHSWWVVSFXMGF-UHFFFAOYSA-N 2 0 327.476 3.012 10 0 EGAERP COc1ccccc1C(C)(C)C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657335537 462054035 /nfs/dbraw/zinc/05/40/35/462054035.db2.gz GJMXLBKBQLRQBO-UHFFFAOYSA-N 2 0 336.439 3.343 10 0 EGAERP COC[C@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000657377987 462082823 /nfs/dbraw/zinc/08/28/23/462082823.db2.gz SRTVTPFEDQGAIH-UXDRXVOSSA-N 2 0 332.488 3.205 10 0 EGAERP c1cc(C[NH2+]C[C@H]2SCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000657390585 462092154 /nfs/dbraw/zinc/09/21/54/462092154.db2.gz YKUNICMIRMYBLQ-LJQANCHMSA-N 2 0 336.464 3.388 10 0 EGAERP CCn1cnnc1CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000648399912 462100193 /nfs/dbraw/zinc/10/01/93/462100193.db2.gz ADKLUVCBAXMUQA-UHFFFAOYSA-N 2 0 335.540 3.109 10 0 EGAERP CC(C)(C)c1nc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cs1 ZINC000657422988 462113531 /nfs/dbraw/zinc/11/35/31/462113531.db2.gz UJOAMIGDVJFKKO-UHFFFAOYSA-N 2 0 341.484 3.354 10 0 EGAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657461538 462137857 /nfs/dbraw/zinc/13/78/57/462137857.db2.gz HVUVMTCLHZGSKD-SFHVURJKSA-N 2 0 338.386 3.192 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cscc1C(F)(F)F ZINC000657573404 462187387 /nfs/dbraw/zinc/18/73/87/462187387.db2.gz MPTADNDOKJDCGW-LBPRGKRZSA-N 2 0 337.455 3.129 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)C1 ZINC000657592685 462194754 /nfs/dbraw/zinc/19/47/54/462194754.db2.gz ADYQRJWPSRCUHV-GOSISDBHSA-N 2 0 330.859 3.196 10 0 EGAERP CCc1cccc(F)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596905 462199702 /nfs/dbraw/zinc/19/97/02/462199702.db2.gz PGLUTWNIFNFZDU-LJQANCHMSA-N 2 0 342.458 3.245 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@@]1(C)CC1(F)F)C1CC[NH+](C)CC1 ZINC000657666600 462223131 /nfs/dbraw/zinc/22/31/31/462223131.db2.gz VBGMUBRURSQCFU-GOSISDBHSA-N 2 0 337.458 3.352 10 0 EGAERP Cc1cnn(C)c1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771726 462260034 /nfs/dbraw/zinc/26/00/34/462260034.db2.gz FJRQUDWIHPYERU-LJQANCHMSA-N 2 0 338.499 3.120 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@H]1CC[NH+]1C(C)(C)C ZINC000658060390 462361272 /nfs/dbraw/zinc/36/12/72/462361272.db2.gz ZDGPUTAXZFVUGG-RLLQIKCJSA-N 2 0 329.532 3.359 10 0 EGAERP CC(C)[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658068807 462365918 /nfs/dbraw/zinc/36/59/18/462365918.db2.gz AAAILYMWDONWBE-FQEVSTJZSA-N 2 0 349.494 3.398 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](CNC3C[C@H]4CC[C@@H](C3)[NH2+]4)C3(CCC3)C2)cc1 ZINC000665277286 462381222 /nfs/dbraw/zinc/38/12/22/462381222.db2.gz YJJFMAWXMUARKD-CBQMWWCCSA-N 2 0 339.527 3.161 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](CC(C)C)c2ccccc2)CC1 ZINC000665287088 462385637 /nfs/dbraw/zinc/38/56/37/462385637.db2.gz BIQJDOPWORMMTN-HXUWFJFHSA-N 2 0 345.531 3.354 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](CCC(C)C)C(C)(C)C)CC1 ZINC000665289019 462387030 /nfs/dbraw/zinc/38/70/30/462387030.db2.gz DDLAKHMZKMYHNI-GOSISDBHSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138888 462401565 /nfs/dbraw/zinc/40/15/65/462401565.db2.gz ORWCPFSGVFJXLW-WMLDXEAASA-N 2 0 344.421 3.464 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658138420 462402370 /nfs/dbraw/zinc/40/23/70/462402370.db2.gz NCZABLIZIBQXKD-PMACEKPBSA-N 2 0 339.483 3.279 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@H]3C3CC3)cc2)C1 ZINC000658138918 462402636 /nfs/dbraw/zinc/40/26/36/462402636.db2.gz PAIOZKFJIODWAG-QHAWAJNXSA-N 2 0 328.500 3.312 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142714 462405307 /nfs/dbraw/zinc/40/53/07/462405307.db2.gz WDVLGFTYMHKIHZ-TZIWHRDSSA-N 2 0 340.442 3.169 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)C[C@H]2C1 ZINC000658167008 462416898 /nfs/dbraw/zinc/41/68/98/462416898.db2.gz WYDUANJBQUHBRP-FRTGENFJSA-N 2 0 343.515 3.087 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652157602 462455088 /nfs/dbraw/zinc/45/50/88/462455088.db2.gz GCCIVEGPPCNXIG-OAQYLSRUSA-N 2 0 344.547 3.319 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCCOCC3)C3(CCC3)C2)cc1 ZINC000658319511 462475072 /nfs/dbraw/zinc/47/50/72/462475072.db2.gz DQPXJZBNCAPXPH-UXHICEINSA-N 2 0 328.500 3.447 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000658329851 462479940 /nfs/dbraw/zinc/47/99/40/462479940.db2.gz OLPFAKJOYLDBHB-YZGWKJHDSA-N 2 0 340.552 3.308 10 0 EGAERP C[N@H+](CCN(Cc1ccccc1)C[C@@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000649414285 462502889 /nfs/dbraw/zinc/50/28/89/462502889.db2.gz QAFAJYMTUKOKIB-JOCHJYFZSA-N 2 0 337.511 3.230 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)CC1(C)C ZINC000623355409 480246817 /nfs/dbraw/zinc/24/68/17/480246817.db2.gz MGVHXZVFILJCBB-AWEZNQCLSA-N 2 0 344.425 3.365 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000179517890 534077722 /nfs/dbraw/zinc/07/77/22/534077722.db2.gz RFMNFZBEJKHHFZ-ZDUSSCGKSA-N 2 0 328.859 3.004 10 0 EGAERP CCCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c1 ZINC000179517120 528751966 /nfs/dbraw/zinc/75/19/66/528751966.db2.gz YPULBURTVLWTOT-QGZVFWFLSA-N 2 0 334.504 3.000 10 0 EGAERP CC(C)N1C[C@@H](C)[C@@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000181283272 529090013 /nfs/dbraw/zinc/09/00/13/529090013.db2.gz XRNBPBNCEAYIOW-UWVAXJGDSA-N 2 0 333.520 3.006 10 0 EGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000356859343 535889063 /nfs/dbraw/zinc/88/90/63/535889063.db2.gz XTVOUSMCOHZDMK-UXHICEINSA-N 2 0 343.515 3.036 10 0 EGAERP CO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@@H]2C)C12CCC2 ZINC000398128594 547837489 /nfs/dbraw/zinc/83/74/89/547837489.db2.gz ITIMEDMAGBSDDD-FRYIKTPZSA-N 2 0 328.500 3.444 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(F)c1 ZINC000678115208 549399556 /nfs/dbraw/zinc/39/95/56/549399556.db2.gz UPMTZHVSVJLBDP-HIFRSBDPSA-N 2 0 339.886 3.298 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(F)c1 ZINC000678115207 549399600 /nfs/dbraw/zinc/39/96/00/549399600.db2.gz UPMTZHVSVJLBDP-DZGCQCFKSA-N 2 0 339.886 3.298 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000678609028 549530823 /nfs/dbraw/zinc/53/08/23/549530823.db2.gz GAHADDNFFFISJB-KYNGSXCRSA-N 2 0 335.923 3.405 10 0 EGAERP CO[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@H]1C ZINC000682245885 550086207 /nfs/dbraw/zinc/08/62/07/550086207.db2.gz VMZRLYLXISKIIV-XLIONFOSSA-N 2 0 332.488 3.018 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000729303949 574836658 /nfs/dbraw/zinc/83/66/58/574836658.db2.gz FSABNWDZFHUENB-UHFFFAOYSA-N 2 0 343.515 3.165 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCc3ccccn3)c2)C1 ZINC000067222692 1292154105 /nfs/dbraw/zinc/15/41/05/1292154105.db2.gz GNPZUPPDYNNVJJ-IBGZPJMESA-N 2 0 339.483 3.482 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@@H](c2ccc(OC)cc2)C2CC2)CC1 ZINC000091317636 1292833386 /nfs/dbraw/zinc/83/33/86/1292833386.db2.gz WHSMGCHXZYDBMY-HXUWFJFHSA-N 2 0 332.488 3.237 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)N1CC[NH+](C)CC1 ZINC000105466759 1293040011 /nfs/dbraw/zinc/04/00/11/1293040011.db2.gz ATJSSDOVUKSVMY-HNNXBMFYSA-N 2 0 347.890 3.326 10 0 EGAERP CC(C)=CC[N@@H+]1CCN(c2cc(C)[nH+]c3ccccc32)C[C@@H]1CCO ZINC000106950343 1293055151 /nfs/dbraw/zinc/05/51/51/1293055151.db2.gz WLBYKHXXGIETEX-SFHVURJKSA-N 2 0 339.483 3.382 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000872155227 1296771531 /nfs/dbraw/zinc/77/15/31/1296771531.db2.gz OPTRSPPUOIZFGU-GJZGRUSLSA-N 2 0 339.911 3.357 10 0 EGAERP C[C@@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872154986 1296773794 /nfs/dbraw/zinc/77/37/94/1296773794.db2.gz ILCYJEJZRBULRM-INIZCTEOSA-N 2 0 345.487 3.403 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000873223349 1297365475 /nfs/dbraw/zinc/36/54/75/1297365475.db2.gz NMTBVVJKFUSCDM-NIAZBUPMSA-N 2 0 347.300 3.065 10 0 EGAERP C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404366334 1297751122 /nfs/dbraw/zinc/75/11/22/1297751122.db2.gz HBUUWHFIPWOUNN-KZNAEPCWSA-N 2 0 345.531 3.275 10 0 EGAERP CCn1cc(C[NH+]2CCC(Cc3ccc(C[NH+](C)C)cc3)CC2)cn1 ZINC000581810119 1298018206 /nfs/dbraw/zinc/01/82/06/1298018206.db2.gz YOIPHSMKVODJDJ-UHFFFAOYSA-N 2 0 340.515 3.419 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000707986243 1298233155 /nfs/dbraw/zinc/23/31/55/1298233155.db2.gz ROHFCQFVKSNTQP-IYBDPMFKSA-N 2 0 339.524 3.286 10 0 EGAERP CC[C@H](C)[C@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886526095 1303487442 /nfs/dbraw/zinc/48/74/42/1303487442.db2.gz FDCDPLKFHRWVAD-RKFFNLMFSA-N 2 0 330.516 3.426 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000886867566 1303620327 /nfs/dbraw/zinc/62/03/27/1303620327.db2.gz IOMPPCLCQQVBEJ-GOSISDBHSA-N 2 0 346.500 3.196 10 0 EGAERP c1cc2c(c(CN3CC[C@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n1)CCCC2 ZINC000892235156 1305289710 /nfs/dbraw/zinc/28/97/10/1305289710.db2.gz LDIHYGLEHSLBKH-UTKZUKDTSA-N 2 0 325.500 3.409 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+]CC2CN(C(=O)OC(C)(C)C)C2)c1 ZINC000894242137 1306297840 /nfs/dbraw/zinc/29/78/40/1306297840.db2.gz SYLZFHDACWHMGX-UHFFFAOYSA-N 2 0 347.503 3.095 10 0 EGAERP C[C@@H](CC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C)[NH+](C)C ZINC000895291027 1309271893 /nfs/dbraw/zinc/27/18/93/1309271893.db2.gz YIJIEBXBHPJWMR-XYTVBORESA-N 2 0 339.524 3.094 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@H]3C2)cc1 ZINC000897817845 1310478091 /nfs/dbraw/zinc/47/80/91/1310478091.db2.gz BROALDJEGAEKFW-QJDFYSGISA-N 2 0 338.495 3.053 10 0 EGAERP C[NH+](C)CCCC(C)(C)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC000857841506 1328601224 /nfs/dbraw/zinc/60/12/24/1328601224.db2.gz DDHVQNMAFGBPMC-UHFFFAOYSA-N 2 0 330.476 3.141 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3cn[nH]c32)cc1 ZINC000857849567 1328602955 /nfs/dbraw/zinc/60/29/55/1328602955.db2.gz ZPPOHRNTYHRMRG-LJQANCHMSA-N 2 0 342.487 3.298 10 0 EGAERP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858109975 1328684225 /nfs/dbraw/zinc/68/42/25/1328684225.db2.gz FALYMANWTLWYFK-HOCLYGCPSA-N 2 0 331.460 3.167 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858109895 1328684825 /nfs/dbraw/zinc/68/48/25/1328684825.db2.gz CIUQUGPKLZTSFY-NVXWUHKLSA-N 2 0 329.488 3.337 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110686 1328685864 /nfs/dbraw/zinc/68/58/64/1328685864.db2.gz YCRUXRLAOXNTJD-DOMZBBRYSA-N 2 0 330.394 3.201 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858143362 1328694825 /nfs/dbraw/zinc/69/48/25/1328694825.db2.gz WMZMVHIKJVYSIH-GPANFISMSA-N 2 0 339.524 3.285 10 0 EGAERP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCC[C@H](C(F)(F)F)O3)C2)CC1 ZINC000930310478 1328831108 /nfs/dbraw/zinc/83/11/08/1328831108.db2.gz ZVBLWYXXXMFZFD-HUUCEWRRSA-N 2 0 334.426 3.294 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)c1Cl ZINC000921689697 1322378576 /nfs/dbraw/zinc/37/85/76/1322378576.db2.gz KMMZIBFMEXJTBZ-LBPRGKRZSA-N 2 0 330.303 3.027 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)(c2ccccc2)CC1 ZINC000922315437 1322498729 /nfs/dbraw/zinc/49/87/29/1322498729.db2.gz CDOYEMGNTCEIRF-SVFBPWRDSA-N 2 0 342.527 3.445 10 0 EGAERP COc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c(OC)c1OC ZINC000922847860 1322631867 /nfs/dbraw/zinc/63/18/67/1322631867.db2.gz HFHBHVSKFQABCV-UHFFFAOYSA-N 2 0 348.487 3.209 10 0 EGAERP C[C@@H]([NH3+])[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923286917 1322725964 /nfs/dbraw/zinc/72/59/64/1322725964.db2.gz BNKVDEMZOCOMJU-VWNJHIHFSA-N 2 0 342.405 3.228 10 0 EGAERP c1ccc([C@H]2C[N@@H+](C[C@@H]3CC4(C[NH2+]C4)CO3)Cc3ccccc32)cc1 ZINC000923301844 1322729245 /nfs/dbraw/zinc/72/92/45/1322729245.db2.gz YUNVOPYLBNXGAD-PZJWPPBQSA-N 2 0 334.463 3.013 10 0 EGAERP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC[NH2+]C2CC2)[C@@H]2CCCC[C@@H]12 ZINC000923312071 1322731707 /nfs/dbraw/zinc/73/17/07/1322731707.db2.gz HLKZPAYAKOUMBK-FLFBIERCSA-N 2 0 349.563 3.312 10 0 EGAERP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)n2)cc1F ZINC000923498109 1322762814 /nfs/dbraw/zinc/76/28/14/1322762814.db2.gz JFYXWLLMOJXJMY-YDHLFZDLSA-N 2 0 332.423 3.162 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]Cc2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000924606878 1323073545 /nfs/dbraw/zinc/07/35/45/1323073545.db2.gz GLKNEGJIHLSLFL-PZJWPPBQSA-N 2 0 340.515 3.291 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)c3ccnnc3)CC2)cc1 ZINC000924856942 1323188922 /nfs/dbraw/zinc/18/89/22/1323188922.db2.gz RPBPIPMCYQEDJT-MRXNPFEDSA-N 2 0 340.471 3.048 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000924855731 1323188953 /nfs/dbraw/zinc/18/89/53/1323188953.db2.gz XXHRQXZKDISADK-GJHJYOIJSA-N 2 0 328.500 3.446 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)C2)cc1 ZINC000924941575 1323222703 /nfs/dbraw/zinc/22/27/03/1323222703.db2.gz YJEYORUAJFPFQU-CEMLEFRQSA-N 2 0 342.527 3.346 10 0 EGAERP C[NH+](C)CC1(O)CC[NH+](Cc2ccc(Cl)c3ccccc23)CC1 ZINC000931480639 1329127625 /nfs/dbraw/zinc/12/76/25/1329127625.db2.gz HEHAOKBADRYWLX-UHFFFAOYSA-N 2 0 332.875 3.382 10 0 EGAERP C[C@@H](c1ccc(C[NH+]2CCC(O)(C[NH+](C)C)CC2)cc1)C(F)(F)F ZINC000931481584 1329128112 /nfs/dbraw/zinc/12/81/12/1329128112.db2.gz UGAAGXMDXZAPSD-AWEZNQCLSA-N 2 0 344.421 3.241 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)CC2)cc[nH+]1 ZINC000925300570 1325116968 /nfs/dbraw/zinc/11/69/68/1325116968.db2.gz MVYBJFACPPFUPC-AZUAARDMSA-N 2 0 329.488 3.093 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1OC ZINC000925482088 1325170279 /nfs/dbraw/zinc/17/02/79/1325170279.db2.gz PVEPZQXCOJOGGA-IPELMVKDSA-N 2 0 332.488 3.003 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1F ZINC000925497181 1325177476 /nfs/dbraw/zinc/17/74/76/1325177476.db2.gz FNFRXGBKOIAHOM-ICSRJNTNSA-N 3 0 333.495 3.145 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498754 1325177669 /nfs/dbraw/zinc/17/76/69/1325177669.db2.gz SDOABQSPEGNXTP-LSDHHAIUSA-N 2 0 335.289 3.340 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000925498945 1325179017 /nfs/dbraw/zinc/17/90/17/1325179017.db2.gz UEODFVWXOZGSSZ-HXUWFJFHSA-N 3 0 329.463 3.457 10 0 EGAERP COc1ccc([C@@H](CN[C@H]2CC[NH2+]C23CCC3)[NH+]2CCCCC2)cc1 ZINC000925505373 1325181794 /nfs/dbraw/zinc/18/17/94/1325181794.db2.gz NLPOJCLHEFVBLX-UXHICEINSA-N 2 0 343.515 3.096 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)C12CCC2 ZINC000925506442 1325182629 /nfs/dbraw/zinc/18/26/29/1325182629.db2.gz RGTIBIATBDMJFU-KURKYZTESA-N 2 0 333.907 3.336 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C[C@@H]([NH3+])C1 ZINC000925529833 1325192863 /nfs/dbraw/zinc/19/28/63/1325192863.db2.gz IBAMUBREYDQHQO-CABCVRRESA-N 2 0 335.458 3.146 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2cccnc2OCC(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925530868 1325193709 /nfs/dbraw/zinc/19/37/09/1325193709.db2.gz GYOILTLOAXEDGR-OLZOCXBDSA-N 2 0 331.382 3.018 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925533431 1325195083 /nfs/dbraw/zinc/19/50/83/1325195083.db2.gz BBAPWELBWVRDSI-MDNKFWRPSA-N 2 0 329.532 3.393 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535618 1325196561 /nfs/dbraw/zinc/19/65/61/1325196561.db2.gz ZVSFNFIADXDNKR-BYCMXARLSA-N 2 0 339.277 3.076 10 0 EGAERP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925562615 1325211251 /nfs/dbraw/zinc/21/12/51/1325211251.db2.gz IGCDIHYKUAOQFY-TYCQWZJGSA-N 2 0 345.506 3.410 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n(C)n1 ZINC000925589177 1325222969 /nfs/dbraw/zinc/22/29/69/1325222969.db2.gz VZHNTGWSCKRBHS-DYXWJJEUSA-N 2 0 346.563 3.397 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000925603782 1325228242 /nfs/dbraw/zinc/22/82/42/1325228242.db2.gz RNOHGLPYKOHUKP-AZUAARDMSA-N 2 0 345.531 3.209 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000925616260 1325230727 /nfs/dbraw/zinc/23/07/27/1325230727.db2.gz LIGLVTYVBQSOPI-KCUHQSDYSA-N 2 0 344.499 3.171 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000925625583 1325236893 /nfs/dbraw/zinc/23/68/93/1325236893.db2.gz GRDAEERWAHCOHM-IHETXDGRSA-N 2 0 337.458 3.206 10 0 EGAERP CC1(C)[C@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925639833 1325243108 /nfs/dbraw/zinc/24/31/08/1325243108.db2.gz NMUCVVGQEGDVKV-TUKJNDCMSA-N 2 0 328.500 3.183 10 0 EGAERP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925666981 1325255655 /nfs/dbraw/zinc/25/56/55/1325255655.db2.gz WTLVWRQXMMQNTP-IMJJTQAJSA-N 2 0 338.517 3.037 10 0 EGAERP CCOc1ccc([C@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000925780208 1325299601 /nfs/dbraw/zinc/29/96/01/1325299601.db2.gz SBSHVMYEYJVSDR-ZFWWWQNUSA-N 2 0 342.430 3.379 10 0 EGAERP COc1cc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)ccc1OC(F)F ZINC000925798473 1325305579 /nfs/dbraw/zinc/30/55/79/1325305579.db2.gz KVTXUXPBAUEYIG-YRGRVCCFSA-N 2 0 328.403 3.193 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1ccc(Cl)cc1 ZINC000925797980 1325306398 /nfs/dbraw/zinc/30/63/98/1325306398.db2.gz JBHUDJSWASVGSB-VNHYZAJKSA-N 2 0 347.894 3.125 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3c4ccccc4sc32)CC1 ZINC000925815569 1325313531 /nfs/dbraw/zinc/31/35/31/1325313531.db2.gz RMPHLAQRPZEDFN-KRWDZBQOSA-N 2 0 329.513 3.291 10 0 EGAERP CSCC1CCC([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)CC1 ZINC000925816696 1325314720 /nfs/dbraw/zinc/31/47/20/1325314720.db2.gz IZRWDZVGFCPWTP-UHFFFAOYSA-N 2 0 347.572 3.103 10 0 EGAERP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)O1 ZINC000925831530 1325320019 /nfs/dbraw/zinc/32/00/19/1325320019.db2.gz UDZCBJLROGZEJQ-QCODTGAPSA-N 2 0 334.426 3.387 10 0 EGAERP Fc1ccc([C@@H](C[C@H]2CCOC2)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925840101 1325323443 /nfs/dbraw/zinc/32/34/43/1325323443.db2.gz KPAFHXZMPBHNCY-HUYLIWGRSA-N 2 0 332.463 3.415 10 0 EGAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000925845127 1325326264 /nfs/dbraw/zinc/32/62/64/1325326264.db2.gz XCZKLXQWGUIMTG-YXKFXFPPSA-N 2 0 327.472 3.099 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc2[nH]c(=O)oc2c1 ZINC000925847876 1325328355 /nfs/dbraw/zinc/32/83/55/1325328355.db2.gz ZGXSRTXOTREGHB-ZHALLVOQSA-N 2 0 329.444 3.352 10 0 EGAERP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925850559 1325329725 /nfs/dbraw/zinc/32/97/25/1325329725.db2.gz JINUPIIZAUHQFC-IKGGRYGDSA-N 2 0 336.520 3.256 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925881563 1325340922 /nfs/dbraw/zinc/34/09/22/1325340922.db2.gz UHPCQVANBNXYDV-VLIAUNLRSA-N 2 0 325.456 3.203 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCCC[C@@H]2CCCO)[C@H](c2ccccc2)C1 ZINC000926634140 1327644588 /nfs/dbraw/zinc/64/45/88/1327644588.db2.gz DNPXXUKKIVKDQD-MXEMCNAFSA-N 2 0 330.516 3.253 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(O)cc(F)c1 ZINC000926677022 1327661460 /nfs/dbraw/zinc/66/14/60/1327661460.db2.gz NJTCRGAKUDOLSW-AWEZNQCLSA-N 2 0 336.451 3.073 10 0 EGAERP O[C@H]1C[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000926712708 1327678878 /nfs/dbraw/zinc/67/88/78/1327678878.db2.gz IIIHDPDWGCXBHP-OSYNSWQESA-N 2 0 340.511 3.465 10 0 EGAERP C[C@H]([NH2+]C[C@@H](O)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926868595 1327746907 /nfs/dbraw/zinc/74/69/07/1327746907.db2.gz JSGXLHCPFWKFFF-YWZLYKJASA-N 2 0 330.447 3.142 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@]2(c3ccccc3)C[C@@H](O)C2)CC1 ZINC000926890841 1327759783 /nfs/dbraw/zinc/75/97/83/1327759783.db2.gz XCIDDJXYPQDBCO-MEMLXQNLSA-N 2 0 330.516 3.179 10 0 EGAERP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC[C@H]1Cc1ccccn1)c1cccnc1 ZINC000926902565 1327765936 /nfs/dbraw/zinc/76/59/36/1327765936.db2.gz YWNJDYVLMWTJNY-YYWHXJBOSA-N 2 0 338.499 3.470 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942684 1327787142 /nfs/dbraw/zinc/78/71/42/1327787142.db2.gz QGTBGUCMXQMBSW-VLQCVTHLSA-N 2 0 326.484 3.078 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cccc(C[NH+](C)C)c1 ZINC000927155765 1327897296 /nfs/dbraw/zinc/89/72/96/1327897296.db2.gz HWGRCHXLMZRVKJ-YHYVQYDKSA-N 2 0 338.495 3.492 10 0 EGAERP CC[C@@H]1C[C@@H](C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865774389 1329736844 /nfs/dbraw/zinc/73/68/44/1329736844.db2.gz VECNHLABLBPXPZ-AZUAARDMSA-N 2 0 330.516 3.445 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000866230935 1330081508 /nfs/dbraw/zinc/08/15/08/1330081508.db2.gz IRGHSDLSILDAJI-UZLBHIALSA-N 2 0 333.495 3.066 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866233632 1330081989 /nfs/dbraw/zinc/08/19/89/1330081989.db2.gz XLVIVTNJTZEFQQ-UWJYYQICSA-N 2 0 347.522 3.456 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866261199 1330086889 /nfs/dbraw/zinc/08/68/89/1330086889.db2.gz QYTZVQZDVDOWJO-NRFANRHFSA-N 2 0 337.511 3.444 10 0 EGAERP F[C@H]1COc2ccccc2[C@@H]1[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000866289531 1330091409 /nfs/dbraw/zinc/09/14/09/1330091409.db2.gz FPYWKNUYXSPDCP-ICSRJNTNSA-N 2 0 341.430 3.359 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CCC1)[C@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866510262 1330119903 /nfs/dbraw/zinc/11/99/03/1330119903.db2.gz MBVJTRPSBLWBST-LRQRDZAKSA-N 2 0 346.515 3.483 10 0 EGAERP Brc1cccnc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666246 1330139705 /nfs/dbraw/zinc/13/97/05/1330139705.db2.gz OONFMPKFUITKKI-UONOGXRCSA-N 2 0 338.293 3.056 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)C ZINC001323161870 1387304781 /nfs/dbraw/zinc/30/47/81/1387304781.db2.gz QBYDQOSTOYNTKN-ROUUACIJSA-N 2 0 339.568 3.227 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001323458802 1387373246 /nfs/dbraw/zinc/37/32/46/1387373246.db2.gz COIFWUKTXGWNFC-LJQANCHMSA-N 2 0 347.547 3.212 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001323569320 1387392237 /nfs/dbraw/zinc/39/22/37/1387392237.db2.gz ZRLDXLIZFLUUJV-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858202 1387478046 /nfs/dbraw/zinc/47/80/46/1387478046.db2.gz BOVUQVQBBIABOD-ICSRJNTNSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1C ZINC001324098075 1387540941 /nfs/dbraw/zinc/54/09/41/1387540941.db2.gz PCVUXESXHKUCPK-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324101503 1387542646 /nfs/dbraw/zinc/54/26/46/1387542646.db2.gz ZWNWDFHSJOOEKX-AZUAARDMSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001324214511 1387559872 /nfs/dbraw/zinc/55/98/72/1387559872.db2.gz ZICSAWJDJGIMRD-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CC(CC)CC)C1 ZINC001324213412 1387560151 /nfs/dbraw/zinc/56/01/51/1387560151.db2.gz NIPOXHKUFHXCER-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)c(C)c1 ZINC001324334048 1387595342 /nfs/dbraw/zinc/59/53/42/1387595342.db2.gz IZUQFLAOUAEVDI-UHFFFAOYSA-N 2 0 345.531 3.034 10 0 EGAERP CCCCC[NH+]1CCC(C)(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001324339729 1387597818 /nfs/dbraw/zinc/59/78/18/1387597818.db2.gz LJIUPQDEIJUKIE-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001324339610 1387598533 /nfs/dbraw/zinc/59/85/33/1387598533.db2.gz KMDMAAUVRZOXOM-KAGICYHLSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001324518501 1387658882 /nfs/dbraw/zinc/65/88/82/1387658882.db2.gz VMAXVDJULDKDLX-LJQANCHMSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001496078444 1396596261 /nfs/dbraw/zinc/59/62/61/1396596261.db2.gz DVVLIZSWOGWSAX-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001324774641 1387767778 /nfs/dbraw/zinc/76/77/78/1387767778.db2.gz ALTLJOKWWIDBBY-PZJWPPBQSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001324892666 1387808065 /nfs/dbraw/zinc/80/80/65/1387808065.db2.gz MNNMLNFOLOEJNV-RBUKOAKNSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001324960678 1387855301 /nfs/dbraw/zinc/85/53/01/1387855301.db2.gz IGJDXAHWJKOJRK-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@H]2CCC[C@H]21 ZINC001117112352 1371012110 /nfs/dbraw/zinc/01/21/10/1371012110.db2.gz IGKNJZKONXXEOM-HSALFYBXSA-N 2 0 331.479 3.257 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC4)cc2)C1 ZINC001118424383 1371179821 /nfs/dbraw/zinc/17/98/21/1371179821.db2.gz WZKADBQMECDIMM-JOCHJYFZSA-N 2 0 336.479 3.032 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@H](CC[NH2+]CC3CCCC3)C2)C1 ZINC001326337471 1388159207 /nfs/dbraw/zinc/15/92/07/1388159207.db2.gz GBFRTSLVVMRTBL-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCC[C@@H]2[NH3+])CC1 ZINC001326370826 1388168701 /nfs/dbraw/zinc/16/87/01/1388168701.db2.gz JERQALZZEXDEOM-NEWSRXKRSA-N 2 0 335.536 3.007 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001326437359 1388188393 /nfs/dbraw/zinc/18/83/93/1388188393.db2.gz LRHOPDIQTSAIAU-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCCC2CCC2)CCC1)[NH+]1CCCCC1 ZINC001326822630 1388322052 /nfs/dbraw/zinc/32/20/52/1388322052.db2.gz OALLOMDXKXNLOA-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)[NH+]1CCCCCC1 ZINC001326900387 1388344117 /nfs/dbraw/zinc/34/41/17/1388344117.db2.gz SBGKSOKVFDMTCM-SFHVURJKSA-N 2 0 347.547 3.380 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001326927722 1388352689 /nfs/dbraw/zinc/35/26/89/1388352689.db2.gz HVKXLOKCHNVHFE-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CCC2CC2)CC1 ZINC001327171357 1388420221 /nfs/dbraw/zinc/42/02/21/1388420221.db2.gz CZEUVDYNWHLYAU-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCCC2)CC[N@@H+]1C ZINC001266216514 1377232030 /nfs/dbraw/zinc/23/20/30/1377232030.db2.gz RSJDKGYVKJLWQN-SLFFLAALSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1)[NH+](C)C ZINC001266223687 1377235774 /nfs/dbraw/zinc/23/57/74/1377235774.db2.gz VJVUCBWNXIHMMO-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361258 1377296244 /nfs/dbraw/zinc/29/62/44/1377296244.db2.gz JXTIZOHODFOVQQ-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001266373428 1377298724 /nfs/dbraw/zinc/29/87/24/1377298724.db2.gz CXOLKAUFFCIAON-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H](C[N@@H+](C)CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001267585847 1377462041 /nfs/dbraw/zinc/46/20/41/1377462041.db2.gz DSHZCQKYCOWIFY-KRWDZBQOSA-N 2 0 342.487 3.083 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@H]1C ZINC001267873868 1377476089 /nfs/dbraw/zinc/47/60/89/1377476089.db2.gz MRGWDWOFFZZYHD-CTNGQTDRSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001268276671 1377505575 /nfs/dbraw/zinc/50/55/75/1377505575.db2.gz LKGLUCUKCURNKW-DOTOQJQBSA-N 2 0 349.544 3.098 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1)c1ccccc1 ZINC001269544916 1377557960 /nfs/dbraw/zinc/55/79/60/1377557960.db2.gz XKOGZRUFSYRBOW-OALUTQOASA-N 2 0 343.515 3.251 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001271528272 1377635377 /nfs/dbraw/zinc/63/53/77/1377635377.db2.gz ADMOYRBUJCGQEG-YLJYHZDGSA-N 2 0 345.531 3.031 10 0 EGAERP CCCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)Cn1ccnc1C(C)C ZINC001271740653 1377648723 /nfs/dbraw/zinc/64/87/23/1377648723.db2.gz UDXTZULRYMPQIB-QZTJIDSGSA-N 2 0 348.535 3.413 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CC[C@@H](Nc2ccccn2)CC1 ZINC001140165449 1378024341 /nfs/dbraw/zinc/02/43/41/1378024341.db2.gz XDSYNIYGHHMLEN-KSZLIROESA-N 2 0 344.503 3.043 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccc(C)cc1)[NH+](C)C ZINC001276313158 1378170665 /nfs/dbraw/zinc/17/06/65/1378170665.db2.gz YUKIVFHHONTRHX-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C\CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277423815 1378223141 /nfs/dbraw/zinc/22/31/41/1378223141.db2.gz WERYXFHVXMTYTM-LIXSYLKWSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)Cc1ccc([C@H](CNC(=O)[C@@H](C)CC[NH+](C)C)[NH+](C)C)cc1 ZINC001141779302 1378374856 /nfs/dbraw/zinc/37/48/56/1378374856.db2.gz ANVJVQQKRLOQQN-PXNSSMCTSA-N 2 0 347.547 3.192 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001282957674 1378684823 /nfs/dbraw/zinc/68/48/23/1378684823.db2.gz IGOGBXLYIXQAQM-GUDVDZBRSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001283101051 1378732361 /nfs/dbraw/zinc/73/23/61/1378732361.db2.gz CWOMUIUDQRYUPQ-AFYVEPGGSA-N 2 0 345.531 3.208 10 0 EGAERP C[C@@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C[N@H+](C)C1CCC1 ZINC001283188510 1378757189 /nfs/dbraw/zinc/75/71/89/1378757189.db2.gz IBOWIPSJKPXUSK-JXFKEZNVSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001283262454 1378775139 /nfs/dbraw/zinc/77/51/39/1378775139.db2.gz WPDMVSZGRUFEET-OALUTQOASA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[C@@H]3CC[NH+](C)C3)cc2C1 ZINC001327696324 1388586494 /nfs/dbraw/zinc/58/64/94/1388586494.db2.gz QQROMIJSRJULFY-AEFFLSMTSA-N 2 0 343.515 3.006 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001283619125 1379057842 /nfs/dbraw/zinc/05/78/42/1379057842.db2.gz YOOFRAJZTNRWMU-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001283624164 1379061623 /nfs/dbraw/zinc/06/16/23/1379061623.db2.gz ZJEUBHSRSKWCPX-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001283652236 1379082532 /nfs/dbraw/zinc/08/25/32/1379082532.db2.gz DNXPTZLSAQBPNP-ROUUACIJSA-N 2 0 345.531 3.367 10 0 EGAERP c1cc(CNc2cccc(C[NH+]3CCCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC001327791263 1388596767 /nfs/dbraw/zinc/59/67/67/1388596767.db2.gz AIZFLZNAGWSBQB-UHFFFAOYSA-N 2 0 333.439 3.475 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@H]1C ZINC001283913521 1379264006 /nfs/dbraw/zinc/26/40/06/1379264006.db2.gz NPIPLMHPVRTGFX-FXAWDEMLSA-N 2 0 345.531 3.029 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001284097410 1379464276 /nfs/dbraw/zinc/46/42/76/1379464276.db2.gz QWPYYCZXZZCMFU-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001284104221 1379476748 /nfs/dbraw/zinc/47/67/48/1379476748.db2.gz WUDSVRSMXYKZKF-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001327886931 1388616746 /nfs/dbraw/zinc/61/67/46/1388616746.db2.gz WBLCFJZKGOXQRI-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)C1(C(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CCC1 ZINC001284291937 1379679629 /nfs/dbraw/zinc/67/96/29/1379679629.db2.gz NDOACJNFMYUPID-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1 ZINC001327996852 1388641275 /nfs/dbraw/zinc/64/12/75/1388641275.db2.gz YWZQTUOXYQFCFX-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCCCC1 ZINC001284630361 1380033497 /nfs/dbraw/zinc/03/34/97/1380033497.db2.gz GJMLRZJCALKNHH-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284629970 1380033602 /nfs/dbraw/zinc/03/36/02/1380033602.db2.gz BVVAOVHORAHIMB-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC1CCC(C[NH2+]C[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C)CC1 ZINC001284642863 1380049815 /nfs/dbraw/zinc/04/98/15/1380049815.db2.gz QFZIZNDYPYCTOS-ABHNRTSZSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001284653592 1380069518 /nfs/dbraw/zinc/06/95/18/1380069518.db2.gz SSOOYSUUEGGKKK-OALUTQOASA-N 2 0 345.531 3.135 10 0 EGAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284699617 1380114638 /nfs/dbraw/zinc/11/46/38/1380114638.db2.gz ICXKNWPMVBQTLB-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001328023525 1388646999 /nfs/dbraw/zinc/64/69/99/1388646999.db2.gz PBNQBJMUYSDJDJ-SREVYHEPSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284723075 1380143405 /nfs/dbraw/zinc/14/34/05/1380143405.db2.gz ICXKNWPMVBQTLB-ROUUACIJSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]CC2CCCCC2)C1 ZINC001284826904 1380249836 /nfs/dbraw/zinc/24/98/36/1380249836.db2.gz JKFPCGBTUXJQDA-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001284929624 1380318091 /nfs/dbraw/zinc/31/80/91/1380318091.db2.gz ZJXRIHDQAMPXAH-UHFFFAOYSA-N 2 0 340.471 3.361 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CCCCCC1 ZINC001328343638 1388726110 /nfs/dbraw/zinc/72/61/10/1388726110.db2.gz JPBRFAZYIDWZJK-FXAWDEMLSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001167393477 1383621027 /nfs/dbraw/zinc/62/10/27/1383621027.db2.gz TZDOXQWCHODJNE-DLBZAZTESA-N 2 0 347.503 3.210 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1 ZINC001328859287 1388889564 /nfs/dbraw/zinc/88/95/64/1388889564.db2.gz ODEGPNRKQZJIIY-SOAGJPPSSA-N 2 0 347.547 3.234 10 0 EGAERP O[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001307972509 1384066303 /nfs/dbraw/zinc/06/63/03/1384066303.db2.gz RBKGCHDYOWIYQV-FSSWDIPSSA-N 2 0 342.527 3.176 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001316598072 1384464885 /nfs/dbraw/zinc/46/48/85/1384464885.db2.gz HXZACVJGHHPZHJ-GUDVDZBRSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001316600041 1384466997 /nfs/dbraw/zinc/46/69/97/1384466997.db2.gz YUOGQIUQTYYIDU-UYAOXDASSA-N 2 0 345.531 3.183 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)C)[C@@H]1CC ZINC001316732268 1384550302 /nfs/dbraw/zinc/55/03/02/1384550302.db2.gz HALVMNHECORIFN-IPMKNSEASA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(C)c2)C1 ZINC001316771359 1384569949 /nfs/dbraw/zinc/56/99/49/1384569949.db2.gz KFBDHGNYNCOILC-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@H]2C)C1 ZINC001316789067 1384582508 /nfs/dbraw/zinc/58/25/08/1384582508.db2.gz UWYMNWFSUCBWON-AFNJWWOFSA-N 2 0 349.563 3.265 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001316806790 1384599222 /nfs/dbraw/zinc/59/92/22/1384599222.db2.gz RGNHHGCXPMOJRH-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001316810814 1384607416 /nfs/dbraw/zinc/60/74/16/1384607416.db2.gz IZHLRSQDTHOACF-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001316844250 1384633061 /nfs/dbraw/zinc/63/30/61/1384633061.db2.gz KIDDPVHCFXKBDU-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001316950780 1384724973 /nfs/dbraw/zinc/72/49/73/1384724973.db2.gz DRKBSLWWIGARLL-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001317004361 1384764073 /nfs/dbraw/zinc/76/40/73/1384764073.db2.gz UWJIWUGTCPOLMO-RURPWVQCSA-N 2 0 335.536 3.140 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317035442 1384805249 /nfs/dbraw/zinc/80/52/49/1384805249.db2.gz UDVVZUZYCYQOKU-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317040915 1384813606 /nfs/dbraw/zinc/81/36/06/1384813606.db2.gz AKJIUQWGIWUKJV-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001317137520 1384901511 /nfs/dbraw/zinc/90/15/11/1384901511.db2.gz LSCHQDWKRMUJSE-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317150151 1384916854 /nfs/dbraw/zinc/91/68/54/1384916854.db2.gz AHEQEJBLZHYIHL-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001317179584 1384954236 /nfs/dbraw/zinc/95/42/36/1384954236.db2.gz UWBWDRFYVGCMQB-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317183349 1384959117 /nfs/dbraw/zinc/95/91/17/1384959117.db2.gz QAAGQYDALGEWMS-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317183351 1384959221 /nfs/dbraw/zinc/95/92/21/1384959221.db2.gz QAAGQYDALGEWMS-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1c(C(=O)N2CCCC[C@H]2C[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001317188054 1384962292 /nfs/dbraw/zinc/96/22/92/1384962292.db2.gz HEZOMLCVMUHSQU-KRWDZBQOSA-N 2 0 342.487 3.273 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317194826 1384968947 /nfs/dbraw/zinc/96/89/47/1384968947.db2.gz GPIMRLDCDVZANL-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001317220639 1385000686 /nfs/dbraw/zinc/00/06/86/1385000686.db2.gz ZDOGONAFHMLATQ-UHFFFAOYSA-N 2 0 335.536 3.236 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001317294815 1385067117 /nfs/dbraw/zinc/06/71/17/1385067117.db2.gz RLBQNJPUQKXETP-JYFUNIFQSA-N 2 0 343.515 3.059 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317351002 1385100125 /nfs/dbraw/zinc/10/01/25/1385100125.db2.gz NRQGDIGIZSFKBD-IKSUFZCESA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001317401102 1385116077 /nfs/dbraw/zinc/11/60/77/1385116077.db2.gz OMGYORRLZICHCG-LPHOPBHVSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001317403761 1385117413 /nfs/dbraw/zinc/11/74/13/1385117413.db2.gz DZLWEGWOYOGISX-FHWLQOOXSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCC1 ZINC001317409331 1385120707 /nfs/dbraw/zinc/12/07/07/1385120707.db2.gz UFTBIFCWTNHAAK-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001317414974 1385125366 /nfs/dbraw/zinc/12/53/66/1385125366.db2.gz GIPZRYCCGQXLKV-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001317423275 1385130085 /nfs/dbraw/zinc/13/00/85/1385130085.db2.gz MMUYNDAIBLJDCT-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317424109 1385130994 /nfs/dbraw/zinc/13/09/94/1385130994.db2.gz QNXURXMABBPHEP-RTBURBONSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](C)CCCC2CCCC2)C1 ZINC001317467570 1385161276 /nfs/dbraw/zinc/16/12/76/1385161276.db2.gz VNWCWMGBYXFKJV-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CCC(C)CC1 ZINC001317480496 1385176713 /nfs/dbraw/zinc/17/67/13/1385176713.db2.gz VVVBAGBQUSBVAU-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC1=CCCCC1 ZINC001317489528 1385188747 /nfs/dbraw/zinc/18/87/47/1385188747.db2.gz JSNOGRPARDTDSX-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1=CCCCC1 ZINC001317489531 1385188815 /nfs/dbraw/zinc/18/88/15/1385188815.db2.gz JSNOGRPARDTDSX-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)Cc1ccc(C)cc1 ZINC001317492707 1385193704 /nfs/dbraw/zinc/19/37/04/1385193704.db2.gz PNNVFGFHCYUXHF-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317527465 1385249777 /nfs/dbraw/zinc/24/97/77/1385249777.db2.gz DEYZTUKWUYZPTA-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317534672 1385264685 /nfs/dbraw/zinc/26/46/85/1385264685.db2.gz DBUWGQAJBNTPAK-RTBURBONSA-N 2 0 345.531 3.143 10 0 EGAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001317684586 1385395357 /nfs/dbraw/zinc/39/53/57/1385395357.db2.gz SPUTXJWPMBYILA-QGZVFWFLSA-N 2 0 345.531 3.379 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317758046 1385447935 /nfs/dbraw/zinc/44/79/35/1385447935.db2.gz CQARCQFJUJDYAJ-NZSAHSFTSA-N 2 0 349.563 3.076 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317771992 1385464322 /nfs/dbraw/zinc/46/43/22/1385464322.db2.gz IVKVPFGATMXXNZ-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001317792022 1385484994 /nfs/dbraw/zinc/48/49/94/1385484994.db2.gz GROISSAPQNROIU-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001318412810 1385679129 /nfs/dbraw/zinc/67/91/29/1385679129.db2.gz KNDQLJRMSSLDNQ-RJCMGOLDSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[C@@](O)(C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001177009141 1385772280 /nfs/dbraw/zinc/77/22/80/1385772280.db2.gz YRXGXJXKSYJACT-BDTNDASRSA-N 2 0 342.527 3.338 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001318938363 1385888848 /nfs/dbraw/zinc/88/88/48/1385888848.db2.gz UADAROYDHRYZTK-HDICACEKSA-N 2 0 337.552 3.124 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001318938058 1385888905 /nfs/dbraw/zinc/88/89/05/1385888905.db2.gz RQHPDQVLSOEAPD-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CCC2CCCC2)CC1 ZINC001318938790 1385889267 /nfs/dbraw/zinc/88/92/67/1385889267.db2.gz YIVVQJOEZCSQAG-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001318982890 1385908485 /nfs/dbraw/zinc/90/84/85/1385908485.db2.gz COEASNQMYPOGEQ-FHWLQOOXSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001319019624 1385929569 /nfs/dbraw/zinc/92/95/69/1385929569.db2.gz YNTFWPJHJYSGAG-IBGZPJMESA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001319114348 1385964787 /nfs/dbraw/zinc/96/47/87/1385964787.db2.gz XKDPOYCALHKVAP-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698626722 1406268635 /nfs/dbraw/zinc/26/86/35/1406268635.db2.gz MORYXOKHYPQECO-SFHVURJKSA-N 2 0 335.536 3.068 10 0 EGAERP CC1(C)CCC(C[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)CC1 ZINC001698636897 1406283322 /nfs/dbraw/zinc/28/33/22/1406283322.db2.gz XOZUVPSKQNGMOB-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]([NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001698651083 1406300902 /nfs/dbraw/zinc/30/09/02/1406300902.db2.gz BOMJPTJHWNDHOC-TZIWHRDSSA-N 2 0 343.515 3.108 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320135004 1386530870 /nfs/dbraw/zinc/53/08/70/1386530870.db2.gz SZNBDQQBZOHXPV-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320156153 1386539639 /nfs/dbraw/zinc/53/96/39/1386539639.db2.gz WOMPJMCHMRJZJM-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CC[NH2+]CC/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320463393 1386616100 /nfs/dbraw/zinc/61/61/00/1386616100.db2.gz GXHMSNVQKLDXLS-AISMNMOMSA-N 2 0 343.515 3.059 10 0 EGAERP Cc1c(C(=O)NC/C=C/C[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001321128135 1386817671 /nfs/dbraw/zinc/81/76/71/1386817671.db2.gz YPZFYXCATWGCEA-AATRIKPKSA-N 2 0 338.455 3.019 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC001321199170 1386838800 /nfs/dbraw/zinc/83/88/00/1386838800.db2.gz FTOSLSNXOSLUCX-UHCGQYCJSA-N 2 0 349.906 3.147 10 0 EGAERP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322217799 1387106411 /nfs/dbraw/zinc/10/64/11/1387106411.db2.gz HZRBZYZHOYPTRR-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322259007 1387125378 /nfs/dbraw/zinc/12/53/78/1387125378.db2.gz SOWQCWGEYCBTHL-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CN(CCC[NH2+]CC1CCC(C)(C)CC1)C(=O)C[N@H+](C)C1CCC1 ZINC001322544313 1387203141 /nfs/dbraw/zinc/20/31/41/1387203141.db2.gz VVWQVPPNAPENEF-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[NH2+]CC1CCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001322661171 1387221175 /nfs/dbraw/zinc/22/11/75/1387221175.db2.gz BMFSKLJDPDQISL-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001329204193 1389021510 /nfs/dbraw/zinc/02/15/10/1389021510.db2.gz XTDUNYRMKOTJPE-IRXDYDNUSA-N 2 0 341.499 3.163 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329861463 1389238749 /nfs/dbraw/zinc/23/87/49/1389238749.db2.gz SOQVYUUCPXJUIJ-OOFWQKGWSA-N 2 0 335.536 3.093 10 0 EGAERP CCCC[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCc2cncn2C1 ZINC001329888746 1389246862 /nfs/dbraw/zinc/24/68/62/1389246862.db2.gz YLAHHXOLUNVEQU-DLBZAZTESA-N 2 0 348.535 3.146 10 0 EGAERP CCCC[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001329888747 1389247036 /nfs/dbraw/zinc/24/70/36/1389247036.db2.gz YLAHHXOLUNVEQU-IAGOWNOFSA-N 2 0 348.535 3.146 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCCC3)C2)CCCCC1 ZINC001330631951 1389477141 /nfs/dbraw/zinc/47/71/41/1389477141.db2.gz DIEBOFCMCPINSD-WGSAOQKQSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CCC[NH2+]C(C)C)c1ccccc1 ZINC001331175919 1389643158 /nfs/dbraw/zinc/64/31/58/1389643158.db2.gz FKHFUJCITLUQQB-VQTJNVASSA-N 2 0 345.531 3.497 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001331474006 1389763176 /nfs/dbraw/zinc/76/31/76/1389763176.db2.gz IMKUBIFTDOQOBR-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001331491822 1389770084 /nfs/dbraw/zinc/77/00/84/1389770084.db2.gz WWORHSVSZJHFQB-QFBILLFUSA-N 2 0 347.547 3.261 10 0 EGAERP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001331644445 1389842623 /nfs/dbraw/zinc/84/26/23/1389842623.db2.gz NGYGKTLEAXUGPR-SFHVURJKSA-N 2 0 335.536 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651343 1389847999 /nfs/dbraw/zinc/84/79/99/1389847999.db2.gz XBQITSPPCSUNJS-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332108675 1389986816 /nfs/dbraw/zinc/98/68/16/1389986816.db2.gz COTAKUHYMXVHMT-JPKVPHHRSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCn2ccnc2)CCC[N@@H+]1CCC1CCCCC1 ZINC001332201778 1390038159 /nfs/dbraw/zinc/03/81/59/1390038159.db2.gz XFKZAPYOBUGJKM-MJGOQNOKSA-N 2 0 346.519 3.213 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+](C)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C(C)C)c1 ZINC001332740616 1390177116 /nfs/dbraw/zinc/17/71/16/1390177116.db2.gz OHAVDTUEOKMYAF-UYAOXDASSA-N 2 0 345.531 3.177 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+](C)CCN(C(=O)[C@@H]2CC[NH+](C)C2)C(C)C)c1 ZINC001332740613 1390177262 /nfs/dbraw/zinc/17/72/62/1390177262.db2.gz OHAVDTUEOKMYAF-AZUAARDMSA-N 2 0 345.531 3.177 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C)[NH+](C)C ZINC001332882092 1390208215 /nfs/dbraw/zinc/20/82/15/1390208215.db2.gz QYDCTHFCKSEGMM-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]C/C=C\Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001332898521 1390212335 /nfs/dbraw/zinc/21/23/35/1390212335.db2.gz IUAZUDYXVKQQSV-SIJIIQCFSA-N 2 0 343.943 3.126 10 0 EGAERP CC(C)C[NH+]1CCC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001333014071 1390236360 /nfs/dbraw/zinc/23/63/60/1390236360.db2.gz KYKAWUVZRMZSGG-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049941 1390467429 /nfs/dbraw/zinc/46/74/29/1390467429.db2.gz VKTPEDJBCZEFNP-TWOQFEAHSA-N 2 0 344.499 3.241 10 0 EGAERP c1cn2cc(CNC[C@@H]3CC[N@H+](CCc4ccccc4)C3)sc2n1 ZINC001342912729 1390671507 /nfs/dbraw/zinc/67/15/07/1390671507.db2.gz BHJHMSYLNJMCNL-KRWDZBQOSA-N 2 0 340.496 3.050 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001488837965 1391731859 /nfs/dbraw/zinc/73/18/59/1391731859.db2.gz JSCAEGYYTQPIES-BRWVUGGUSA-N 2 0 337.552 3.170 10 0 EGAERP CN(C[C@H]1CC[NH+]1CCC(C)(C)C)C(=O)CCC[NH+]1CCCCC1 ZINC001479272643 1392202766 /nfs/dbraw/zinc/20/27/66/1392202766.db2.gz XNPMPVHUMMLBDN-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001479495006 1392256660 /nfs/dbraw/zinc/25/66/60/1392256660.db2.gz LPEQTALMMMZJOJ-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001479496113 1392257234 /nfs/dbraw/zinc/25/72/34/1392257234.db2.gz XUPOKBDDTHFXSZ-RCCFBDPRSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ccc(C)cc1 ZINC001479645107 1392303963 /nfs/dbraw/zinc/30/39/63/1392303963.db2.gz JFRBVTNZAUJZOO-ZCNNSNEGSA-N 2 0 345.531 3.050 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001479672735 1392312693 /nfs/dbraw/zinc/31/26/93/1392312693.db2.gz NKKRFQZNJBKLRB-LSWULPBNSA-N 2 0 349.563 3.099 10 0 EGAERP CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479695091 1392326197 /nfs/dbraw/zinc/32/61/97/1392326197.db2.gz VGEDPMBZORGMOD-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CCC1=CCCCC1 ZINC001479771426 1392378105 /nfs/dbraw/zinc/37/81/05/1392378105.db2.gz FFZYXPBHKOSNLM-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001479777075 1392382408 /nfs/dbraw/zinc/38/24/08/1392382408.db2.gz ZWEYXAJEWILTRL-OALUTQOASA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001479797165 1392396189 /nfs/dbraw/zinc/39/61/89/1392396189.db2.gz VDNCXTGWTGJDLJ-HKUYNNGSSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829799 1392416513 /nfs/dbraw/zinc/41/65/13/1392416513.db2.gz OAFAJIGRMGCGLH-IEBWSBKVSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001479984822 1392517385 /nfs/dbraw/zinc/51/73/85/1392517385.db2.gz HVXSQLUXHSESLW-CWDJHMJFSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001480051389 1392551868 /nfs/dbraw/zinc/55/18/68/1392551868.db2.gz QIILDZPTZQDXRD-PXNSSMCTSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1cccc2ccccc21 ZINC001480220721 1392625812 /nfs/dbraw/zinc/62/58/12/1392625812.db2.gz PGINQLNYWGYVIO-RYQLBKOJSA-N 2 0 339.483 3.089 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001480222730 1392626742 /nfs/dbraw/zinc/62/67/42/1392626742.db2.gz OCHOIUSFJWVNRV-CEXWTWQISA-N 2 0 349.563 3.314 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001480255206 1392640271 /nfs/dbraw/zinc/64/02/71/1392640271.db2.gz RMFIMIADDROEHM-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001480283255 1392658944 /nfs/dbraw/zinc/65/89/44/1392658944.db2.gz IXEXLRRCBIVKGC-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001480287573 1392660432 /nfs/dbraw/zinc/66/04/32/1392660432.db2.gz ZQMDTDQBKJQVFV-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001480350336 1392699706 /nfs/dbraw/zinc/69/97/06/1392699706.db2.gz STYSFXKRVOXUPM-KRWDZBQOSA-N 2 0 349.544 3.194 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480384972 1392729706 /nfs/dbraw/zinc/72/97/06/1392729706.db2.gz YWAZLHLEJHORIG-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001480407467 1392744477 /nfs/dbraw/zinc/74/44/77/1392744477.db2.gz WMLICADTDOCYIW-HNBMQEPASA-N 2 0 335.536 3.090 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001480410425 1392746679 /nfs/dbraw/zinc/74/66/79/1392746679.db2.gz IXOYZJMTFUIRDI-UHFFFAOYSA-N 2 0 325.541 3.172 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480621887 1392825013 /nfs/dbraw/zinc/82/50/13/1392825013.db2.gz BWDUIHZZSFTYST-PMACEKPBSA-N 2 0 345.531 3.306 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480648841 1392835747 /nfs/dbraw/zinc/83/57/47/1392835747.db2.gz PNCHIJSFBVLWFE-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480648837 1392836208 /nfs/dbraw/zinc/83/62/08/1392836208.db2.gz PNCHIJSFBVLWFE-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480695571 1392859441 /nfs/dbraw/zinc/85/94/41/1392859441.db2.gz OZQYGGGJVDDNDW-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700931 1392864371 /nfs/dbraw/zinc/86/43/71/1392864371.db2.gz ZIDCIFSZJWCPHX-OALUTQOASA-N 2 0 349.563 3.458 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703351 1392866830 /nfs/dbraw/zinc/86/68/30/1392866830.db2.gz YGRWAHDYIUCIDN-RBUKOAKNSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734931 1392899593 /nfs/dbraw/zinc/89/95/93/1392899593.db2.gz PHEFWBMISMNKGK-OALUTQOASA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001481054176 1393107676 /nfs/dbraw/zinc/10/76/76/1393107676.db2.gz LPVJRHHLZHVPSE-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481126929 1393126705 /nfs/dbraw/zinc/12/67/05/1393126705.db2.gz NMTDMHYFFUPXNX-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1=CCCCC1 ZINC001481151961 1393135751 /nfs/dbraw/zinc/13/57/51/1393135751.db2.gz YGSAXKMKHAIQDO-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001481272035 1393155943 /nfs/dbraw/zinc/15/59/43/1393155943.db2.gz OTXPGYUKEFUVDL-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001481278811 1393157350 /nfs/dbraw/zinc/15/73/50/1393157350.db2.gz ABKWNIXJJGSQFT-UZLBHIALSA-N 2 0 349.494 3.008 10 0 EGAERP CCc1ccccc1C[N@H+](CC)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001490335484 1393175774 /nfs/dbraw/zinc/17/57/74/1393175774.db2.gz OWWAYGKSUFQQHT-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001698890027 1406622128 /nfs/dbraw/zinc/62/21/28/1406622128.db2.gz ISNUYCOKPVDQAX-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001698904375 1406637917 /nfs/dbraw/zinc/63/79/17/1406637917.db2.gz JDWWVKMTLMFRLZ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001698904377 1406637748 /nfs/dbraw/zinc/63/77/48/1406637748.db2.gz JDWWVKMTLMFRLZ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001698920627 1406655506 /nfs/dbraw/zinc/65/55/06/1406655506.db2.gz NGXZEPYTUFEGJQ-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CCC1=CCCCC1)C1CC1 ZINC001490377973 1394206500 /nfs/dbraw/zinc/20/65/00/1394206500.db2.gz SMJYHKRBCJKXKF-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC001481367604 1394207250 /nfs/dbraw/zinc/20/72/50/1394207250.db2.gz WPRJHIINZNIUBY-UXHICEINSA-N 2 0 343.515 3.274 10 0 EGAERP CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001481432770 1394288210 /nfs/dbraw/zinc/28/82/10/1394288210.db2.gz PUCAVFVUQXEKOW-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NCC[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001481446774 1394299887 /nfs/dbraw/zinc/29/98/87/1394299887.db2.gz NJSQWJSWKWFAQX-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490770177 1394333020 /nfs/dbraw/zinc/33/30/20/1394333020.db2.gz CDVHIEGKPGZPJW-IAGOWNOFSA-N 2 0 349.494 3.009 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC3CCC4(CC4)CC3)C2)CCC1 ZINC001481534932 1394393034 /nfs/dbraw/zinc/39/30/34/1394393034.db2.gz OOGOWLVBJLEKKD-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001481539533 1394402850 /nfs/dbraw/zinc/40/28/50/1394402850.db2.gz VVNATXPOBRENGV-RJCMGOLDSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174264 1394458713 /nfs/dbraw/zinc/45/87/13/1394458713.db2.gz XISLJZVNEIYCKU-ICSRJNTNSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174266 1394458907 /nfs/dbraw/zinc/45/89/07/1394458907.db2.gz XISLJZVNEIYCKU-QUCCMNQESA-N 2 0 347.547 3.047 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CCC(C)(C)C)CC(C)(C)C ZINC001491223042 1394480063 /nfs/dbraw/zinc/48/00/63/1394480063.db2.gz VMPILQXIMFANIM-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001491253316 1394492538 /nfs/dbraw/zinc/49/25/38/1394492538.db2.gz NDWDEDUPVZZIMQ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001491265000 1394496476 /nfs/dbraw/zinc/49/64/76/1394496476.db2.gz SCCZSIFXKBFEFN-RBUKOAKNSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCCC2)C1 ZINC001491269490 1394497841 /nfs/dbraw/zinc/49/78/41/1394497841.db2.gz DPWCAPRETZGQMS-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@@H](N(CC)C(=O)CC[NH+](C)C)C2)cc1 ZINC001481773883 1394518213 /nfs/dbraw/zinc/51/82/13/1394518213.db2.gz FGNOFXDHQCQYSV-HXUWFJFHSA-N 2 0 345.531 3.014 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC=C(C)C)C1 ZINC001481976592 1394638072 /nfs/dbraw/zinc/63/80/72/1394638072.db2.gz HWVHMSVFDKYFJY-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001482050276 1394713326 /nfs/dbraw/zinc/71/33/26/1394713326.db2.gz VDTXZTWASGPFNL-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001482221508 1394814042 /nfs/dbraw/zinc/81/40/42/1394814042.db2.gz LPFWQQFYPIZMTN-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001482222999 1394816127 /nfs/dbraw/zinc/81/61/27/1394816127.db2.gz NWEXQCYZAXIJCF-HNNXBMFYSA-N 2 0 342.487 3.321 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)CCCC1 ZINC001482231634 1394826172 /nfs/dbraw/zinc/82/61/72/1394826172.db2.gz UMEGWRVAFRNURV-GOSISDBHSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001482238004 1394833326 /nfs/dbraw/zinc/83/33/26/1394833326.db2.gz CQNCEUFSUSKWPX-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001482294205 1394872312 /nfs/dbraw/zinc/87/23/12/1394872312.db2.gz YWZBOCSTWJTNSF-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001482302255 1394878136 /nfs/dbraw/zinc/87/81/36/1394878136.db2.gz DSIKXNCKRXTCIK-AWEZNQCLSA-N 2 0 330.476 3.129 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001482302880 1394879021 /nfs/dbraw/zinc/87/90/21/1394879021.db2.gz RDMWQZCSYDKUJQ-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001482398529 1394959550 /nfs/dbraw/zinc/95/95/50/1394959550.db2.gz NTPYDCYNJSDSEJ-CTNGQTDRSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481567 1395035329 /nfs/dbraw/zinc/03/53/29/1395035329.db2.gz ZXYCAHAKVAVZRZ-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501631 1395054266 /nfs/dbraw/zinc/05/42/66/1395054266.db2.gz RGVUZKKYUUZEQR-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001483945834 1395156326 /nfs/dbraw/zinc/15/63/26/1395156326.db2.gz JCGBKEDHTYRCBX-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007298 1395181330 /nfs/dbraw/zinc/18/13/30/1395181330.db2.gz BGCYYNCNLXHOFG-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001484070548 1395232238 /nfs/dbraw/zinc/23/22/38/1395232238.db2.gz HSRSBZWJHAPBCQ-GZNCHQMQSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCCC2)C1 ZINC001484100483 1395250296 /nfs/dbraw/zinc/25/02/96/1395250296.db2.gz NHUFUMNULUOGBM-TZIWHRDSSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@](C)(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001484116070 1395260295 /nfs/dbraw/zinc/26/02/95/1395260295.db2.gz ZQLPKJIALDWCEP-OAQYLSRUSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484172788 1395314650 /nfs/dbraw/zinc/31/46/50/1395314650.db2.gz ARTLAXBWBJBHAW-UYAOXDASSA-N 2 0 337.552 3.127 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001484176708 1395322402 /nfs/dbraw/zinc/32/24/02/1395322402.db2.gz ZYIQTXITKKHFQL-NRFANRHFSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001484398188 1395368718 /nfs/dbraw/zinc/36/87/18/1395368718.db2.gz XEZAOGOGJSFJRC-MXVIHJGJSA-N 2 0 349.563 3.339 10 0 EGAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001485239715 1395733210 /nfs/dbraw/zinc/73/32/10/1395733210.db2.gz YGCRKNPJVPZRON-SOAGJPPSSA-N 2 0 349.563 3.410 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001698991931 1406783555 /nfs/dbraw/zinc/78/35/55/1406783555.db2.gz XIKZOUZNJOVKRQ-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571791 1396037159 /nfs/dbraw/zinc/03/71/59/1396037159.db2.gz NWEMJBFKBZEEKU-AEFFLSMTSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC001485586756 1396062958 /nfs/dbraw/zinc/06/29/58/1396062958.db2.gz QKHSRKSPYVOHMD-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CCC[NH2+]CCC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001485736348 1396123405 /nfs/dbraw/zinc/12/34/05/1396123405.db2.gz OGALGMMRZAMJEE-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242513 1396188160 /nfs/dbraw/zinc/18/81/60/1396188160.db2.gz LQYIPBFJELEPTN-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCCC(C)C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001505398331 1396285981 /nfs/dbraw/zinc/28/59/81/1396285981.db2.gz FBTZRYZNTDWJGW-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001492176346 1396312681 /nfs/dbraw/zinc/31/26/81/1396312681.db2.gz XGDQKOJINNOBED-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001493831341 1396343592 /nfs/dbraw/zinc/34/35/92/1396343592.db2.gz NITNEDHMTFUVOM-XDXAGZTOSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001494250629 1396409961 /nfs/dbraw/zinc/40/99/61/1396409961.db2.gz HXQHTUUSRXWNHN-FNYRVFDFSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001494713479 1396490139 /nfs/dbraw/zinc/49/01/39/1396490139.db2.gz YQGICAPQGFHDOK-FFZOFVMBSA-N 2 0 345.531 3.402 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC2 ZINC001495598351 1396546242 /nfs/dbraw/zinc/54/62/42/1396546242.db2.gz HSZSODKGGQHPTB-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001496083056 1396598310 /nfs/dbraw/zinc/59/83/10/1396598310.db2.gz UHUSGAIWUUGDHR-FYVKXAJJSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496415919 1396699336 /nfs/dbraw/zinc/69/93/36/1396699336.db2.gz REAGWVOQFQHVNC-YJTGKBQXSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496491641 1396709405 /nfs/dbraw/zinc/70/94/05/1396709405.db2.gz NVZDBYRQNDWUGR-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001496575271 1396717029 /nfs/dbraw/zinc/71/70/29/1396717029.db2.gz OSTZVHJMZRYTNG-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497275455 1396743312 /nfs/dbraw/zinc/74/33/12/1396743312.db2.gz HZNRDAAMJYNNRJ-GOSISDBHSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001497278287 1396744458 /nfs/dbraw/zinc/74/44/58/1396744458.db2.gz VNZWUZBDVHMQDF-GOSISDBHSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001497690540 1396785284 /nfs/dbraw/zinc/78/52/84/1396785284.db2.gz GWTLCQOFXHGDNL-FQQSSWHASA-N 2 0 333.520 3.012 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267994 1396999230 /nfs/dbraw/zinc/99/92/30/1396999230.db2.gz VSFKTQIVQQFYNH-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699024287 1406860346 /nfs/dbraw/zinc/86/03/46/1406860346.db2.gz WWJCPVPZPAPQHO-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001699027164 1406864057 /nfs/dbraw/zinc/86/40/57/1406864057.db2.gz IPKIJYPUGAWPGM-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498489076 1397033908 /nfs/dbraw/zinc/03/39/08/1397033908.db2.gz VRZMPKMYEMOABT-MOPGFXCFSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689352598 1403682850 /nfs/dbraw/zinc/68/28/50/1403682850.db2.gz JUFKYTPJNRVYEW-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2C[N@H+](C)CCCF)cc1 ZINC001689352716 1403683954 /nfs/dbraw/zinc/68/39/54/1403683954.db2.gz OZWGNQQFJPEEER-IBGZPJMESA-N 2 0 349.494 3.034 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](Cc2ccccc2)CC(C)(C)C1 ZINC001689365201 1403703820 /nfs/dbraw/zinc/70/38/20/1403703820.db2.gz AOGCBVDOZKOOPU-LJQANCHMSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689821066 1404159694 /nfs/dbraw/zinc/15/96/94/1404159694.db2.gz MYDMNINGGCXIPM-KRWDZBQOSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC1CC(C)(C)C1 ZINC001689858168 1404173200 /nfs/dbraw/zinc/17/32/00/1404173200.db2.gz FTZCLRCNXSJZIP-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001689890694 1404188138 /nfs/dbraw/zinc/18/81/38/1404188138.db2.gz CGDGRSFTBHLOJX-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154349 1404353609 /nfs/dbraw/zinc/35/36/09/1404353609.db2.gz ZBGUOEJPLLMIMG-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001690317673 1404473442 /nfs/dbraw/zinc/47/34/42/1404473442.db2.gz JJBPGZHHCGUJFG-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001690362196 1404496511 /nfs/dbraw/zinc/49/65/11/1404496511.db2.gz UHGITDWQERKRLP-KDURUIRLSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001690391807 1404530918 /nfs/dbraw/zinc/53/09/18/1404530918.db2.gz KBXFSMAHCRVIGM-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130529 1425599584 /nfs/dbraw/zinc/59/95/84/1425599584.db2.gz ROVFRUUOHGMMBB-HZPDHXFCSA-N 2 0 325.541 3.026 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001690498794 1404611143 /nfs/dbraw/zinc/61/11/43/1404611143.db2.gz LYUWBNUHBDLESH-OJBOGMDESA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H]1CCCc2ccccc21 ZINC001690610390 1404651678 /nfs/dbraw/zinc/65/16/78/1404651678.db2.gz MCFOCGPQJCFJFX-LPHOPBHVSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001690650736 1404681924 /nfs/dbraw/zinc/68/19/24/1404681924.db2.gz QNPUUBUTZJQXLI-MJGOQNOKSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001725384373 1426032224 /nfs/dbraw/zinc/03/22/24/1426032224.db2.gz DTKIHMQFFJSSCF-NZSAHSFTSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001725403554 1426048105 /nfs/dbraw/zinc/04/81/05/1426048105.db2.gz BUHREOKKPNCXFL-ROUUACIJSA-N 2 0 345.531 3.354 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732001004 1428211635 /nfs/dbraw/zinc/21/16/35/1428211635.db2.gz PNTXHRCUXROIHB-SJORKVTESA-N 2 0 339.568 3.227 10 0 EGAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001691038394 1404948360 /nfs/dbraw/zinc/94/83/60/1404948360.db2.gz GOAHCKAHWZSASV-KRWDZBQOSA-N 2 0 347.547 3.435 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001732002053 1428212746 /nfs/dbraw/zinc/21/27/46/1428212746.db2.gz ZGVBOFWILSVRBU-SFFCAUCYSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001691107993 1405048349 /nfs/dbraw/zinc/04/83/49/1405048349.db2.gz XUPBSBSJHCKLIV-JENIJYKNSA-N 2 0 343.515 3.106 10 0 EGAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001725784249 1426469070 /nfs/dbraw/zinc/46/90/70/1426469070.db2.gz BLISJOWCICDBIC-ACBHZAAOSA-N 2 0 337.552 3.265 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001725745476 1426422552 /nfs/dbraw/zinc/42/25/52/1426422552.db2.gz LWSHHVORBOMNAG-DKFQHHCZSA-N 2 0 349.563 3.339 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691304838 1405199200 /nfs/dbraw/zinc/19/92/00/1405199200.db2.gz GQHXXIODRBAZRT-RJOJHWARSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001691382550 1405221033 /nfs/dbraw/zinc/22/10/33/1405221033.db2.gz YLTXTPPUYIDNRX-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H]1CCC[NH2+]CCC1CC1 ZINC001691411404 1405250361 /nfs/dbraw/zinc/25/03/61/1405250361.db2.gz LKWMTOUIPFECCJ-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001691620333 1405361336 /nfs/dbraw/zinc/36/13/36/1405361336.db2.gz JKEINUYPFQUDJF-OALUTQOASA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691621821 1405362684 /nfs/dbraw/zinc/36/26/84/1405362684.db2.gz ZIBXLWQPDCPFLR-WGLWSTOQSA-N 2 0 347.547 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]Cc1c(C)cc(C)cc1C ZINC001691622827 1405362997 /nfs/dbraw/zinc/36/29/97/1405362997.db2.gz AFWCYNPGAHJQIE-HXUWFJFHSA-N 2 0 345.531 3.034 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629907 1405367743 /nfs/dbraw/zinc/36/77/43/1405367743.db2.gz YGABYHXIIGGFAX-MOPGFXCFSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001691754651 1405472739 /nfs/dbraw/zinc/47/27/39/1405472739.db2.gz YXYJRWIDTSUJAH-MOPGFXCFSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691757965 1405474968 /nfs/dbraw/zinc/47/49/68/1405474968.db2.gz OXPLDHUXHLDKKO-USTZCAOPSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CC2CCCC2)c2ccccc2)CCC1 ZINC001691787064 1405495982 /nfs/dbraw/zinc/49/59/82/1405495982.db2.gz JRNCILHMQUTWNG-IBGZPJMESA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691790114 1405499152 /nfs/dbraw/zinc/49/91/52/1405499152.db2.gz LOVLKCWORZFUIA-LNLFQRSKSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001691793927 1405504048 /nfs/dbraw/zinc/50/40/48/1405504048.db2.gz IGZBQDBNCHWAMB-MJGOQNOKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001691796716 1405507982 /nfs/dbraw/zinc/50/79/82/1405507982.db2.gz MQDXNOZLANLOLM-PXNSSMCTSA-N 2 0 349.494 3.056 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1)[NH+](CC)CC ZINC001691819329 1405535989 /nfs/dbraw/zinc/53/59/89/1405535989.db2.gz SRBMROXNQYDUSB-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001691937881 1405662785 /nfs/dbraw/zinc/66/27/85/1405662785.db2.gz FBIGRVJXKIDHQG-XUVXKRRUSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCC)CC[C@@H]1c1ccccc1 ZINC001692150535 1405802629 /nfs/dbraw/zinc/80/26/29/1405802629.db2.gz RWDFIOVNDIFIPG-WOJBJXKFSA-N 2 0 345.531 3.103 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](C)CCC1=CCCCC1 ZINC001731771894 1427884890 /nfs/dbraw/zinc/88/48/90/1427884890.db2.gz AJQZTUIMJMPRLF-UHFFFAOYSA-N 2 0 349.544 3.362 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001692260449 1405889308 /nfs/dbraw/zinc/88/93/08/1405889308.db2.gz CKDZLIBNMUZHTM-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001692280716 1405917236 /nfs/dbraw/zinc/91/72/36/1405917236.db2.gz BTIFDHRZBLMFBQ-PYMSYZKUSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692319078 1405937424 /nfs/dbraw/zinc/93/74/24/1405937424.db2.gz MIOOPNAEZKNHJI-GUDVDZBRSA-N 2 0 337.552 3.124 10 0 EGAERP CCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001698588208 1406207173 /nfs/dbraw/zinc/20/71/73/1406207173.db2.gz NSVALHIQSJTJFK-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001698589169 1406209644 /nfs/dbraw/zinc/20/96/44/1406209644.db2.gz ZGYRMDSXBCYBLO-MOPGFXCFSA-N 2 0 335.536 3.140 10 0 EGAERP CCc1cccc(C[NH2+][C@H](CC)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698595867 1406219659 /nfs/dbraw/zinc/21/96/59/1406219659.db2.gz HFNHIAMCMJEODM-WOJBJXKFSA-N 2 0 345.531 3.106 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001698608082 1406236724 /nfs/dbraw/zinc/23/67/24/1406236724.db2.gz GSCICXPYLNHKHJ-IBGZPJMESA-N 2 0 345.531 3.108 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC001732022066 1428239626 /nfs/dbraw/zinc/23/96/26/1428239626.db2.gz IEYQCPFEIOHMLC-WOJBJXKFSA-N 2 0 343.515 3.108 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CCC)C1 ZINC001732036677 1428257926 /nfs/dbraw/zinc/25/79/26/1428257926.db2.gz HLNXRUQYULKRRZ-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001732053356 1428295199 /nfs/dbraw/zinc/29/51/99/1428295199.db2.gz GARYNLYDMNGFRS-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732078975 1428332017 /nfs/dbraw/zinc/33/20/17/1428332017.db2.gz BSGHHXFZLIVGKH-MOPGFXCFSA-N 2 0 345.531 3.260 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001732190190 1428442196 /nfs/dbraw/zinc/44/21/96/1428442196.db2.gz QEVAEHBPUVCACD-QFBILLFUSA-N 2 0 349.494 3.150 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732276555 1428510149 /nfs/dbraw/zinc/51/01/49/1428510149.db2.gz XVVZADDBRRFQHG-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C\CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001732278703 1428511575 /nfs/dbraw/zinc/51/15/75/1428511575.db2.gz SXTMZEPEHCDYGH-XSXCZSQGSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001732311319 1428524386 /nfs/dbraw/zinc/52/43/86/1428524386.db2.gz ZUKACJZIHVWNOJ-VAMGGRTRSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC(C)C)CC1 ZINC001732323453 1428532614 /nfs/dbraw/zinc/53/26/14/1428532614.db2.gz QBLOGWSCJHEUBZ-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]CC1CCC(C)CC1 ZINC001732371684 1428552771 /nfs/dbraw/zinc/55/27/71/1428552771.db2.gz HZQOGJPHVPNMOK-JLAWEPINSA-N 2 0 337.552 3.031 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3=CCCCC3)CCCC2)CC[N@@H+]1C ZINC001732396170 1428563519 /nfs/dbraw/zinc/56/35/19/1428563519.db2.gz ZNQLEVDTMAEVOJ-HKUYNNGSSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001732424794 1428575672 /nfs/dbraw/zinc/57/56/72/1428575672.db2.gz JTJFYYLCRADUPS-LPHOPBHVSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732470019 1428598525 /nfs/dbraw/zinc/59/85/25/1428598525.db2.gz PRTOSJXSGZVAKQ-MSOLQXFVSA-N 2 0 325.541 3.027 10 0 EGAERP Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001732496000 1428617924 /nfs/dbraw/zinc/61/79/24/1428617924.db2.gz PIACZIVWLNBRQB-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732516124 1428635344 /nfs/dbraw/zinc/63/53/44/1428635344.db2.gz DUWMFVGVBKTIBX-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699100671 1412509960 /nfs/dbraw/zinc/50/99/60/1412509960.db2.gz RQRDYEVPGYXYSA-INIZCTEOSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001699105894 1412513105 /nfs/dbraw/zinc/51/31/05/1412513105.db2.gz KDHRIAUESDDXJN-QGZVFWFLSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)C(C)C)c(C)c1C ZINC001699432671 1412751056 /nfs/dbraw/zinc/75/10/56/1412751056.db2.gz BNOXXWFYMNUHCI-AWEZNQCLSA-N 2 0 347.547 3.163 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001699459643 1412810934 /nfs/dbraw/zinc/81/09/34/1412810934.db2.gz MCMQYIRWLMNDQD-SJORKVTESA-N 2 0 333.520 3.259 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001699533511 1412909853 /nfs/dbraw/zinc/90/98/53/1412909853.db2.gz LSIZGOWUBYAEIQ-PKOBYXMFSA-N 2 0 345.531 3.144 10 0 EGAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699539215 1412913017 /nfs/dbraw/zinc/91/30/17/1412913017.db2.gz KCXCBMXJJUGFBV-LJQANCHMSA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC(C)C ZINC001699610853 1412974476 /nfs/dbraw/zinc/97/44/76/1412974476.db2.gz UJTPYROLLAPIBG-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001699674406 1413067079 /nfs/dbraw/zinc/06/70/79/1413067079.db2.gz VRFBVPCGPCHOAF-LOKQZNEXSA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001699684331 1413080307 /nfs/dbraw/zinc/08/03/07/1413080307.db2.gz RIPKCOGARLNTKP-UMPVYUTHSA-N 2 0 335.536 3.138 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)C1 ZINC001699694115 1413101799 /nfs/dbraw/zinc/10/17/99/1413101799.db2.gz ADCLKXXYPKXISW-BVUSGXHMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001699774458 1413183085 /nfs/dbraw/zinc/18/30/85/1413183085.db2.gz LCONLMWSHAKZHR-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC2CCC2)C1 ZINC001699868153 1413311158 /nfs/dbraw/zinc/31/11/58/1413311158.db2.gz JDVZHUFDDAKTSY-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1CC ZINC001699935136 1413377993 /nfs/dbraw/zinc/37/79/93/1413377993.db2.gz YXVUJRZAMYNEHP-WOJBJXKFSA-N 2 0 345.531 3.280 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001732549347 1428728730 /nfs/dbraw/zinc/72/87/30/1428728730.db2.gz VZJRRLMTIIHWBC-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@H+]1C[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001699994114 1413440720 /nfs/dbraw/zinc/44/07/20/1413440720.db2.gz ITTYOXKVRUFKOW-BGYRXZFFSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001700065469 1413482080 /nfs/dbraw/zinc/48/20/80/1413482080.db2.gz JVGGXYQLRFPEKP-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001700076261 1413490315 /nfs/dbraw/zinc/49/03/15/1413490315.db2.gz BDKTXHANBUHKQE-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[NH+]1CCC2(CN(C(=O)[C@H](c3ccccc3)[N@H+](C)CC)C2)CC1 ZINC001700109707 1413529516 /nfs/dbraw/zinc/52/95/16/1413529516.db2.gz VGIZHRZWFWLJTM-IBGZPJMESA-N 2 0 343.515 3.014 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001700142789 1413564888 /nfs/dbraw/zinc/56/48/88/1413564888.db2.gz FCALVMYTXNHTAY-SFHVURJKSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001700199715 1413643439 /nfs/dbraw/zinc/64/34/39/1413643439.db2.gz ZCDGSBXLLGXFKA-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC1(C)C)C1CCC1 ZINC001700291040 1413742732 /nfs/dbraw/zinc/74/27/32/1413742732.db2.gz FLWNNMJRZKDJHS-IBGZPJMESA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317269 1413777374 /nfs/dbraw/zinc/77/73/74/1413777374.db2.gz FVUICBGXAOZBKD-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)=CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001700378168 1413905115 /nfs/dbraw/zinc/90/51/15/1413905115.db2.gz YMOZHAJYGJBUCX-AFMYVXGZSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001700474426 1414098037 /nfs/dbraw/zinc/09/80/37/1414098037.db2.gz OOOYDBDGCXCLRY-MSOLQXFVSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700524318 1414183087 /nfs/dbraw/zinc/18/30/87/1414183087.db2.gz GGVRHJPFBANNRN-QZPVUJMKSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CCCC2)CC1 ZINC001700525936 1414187049 /nfs/dbraw/zinc/18/70/49/1414187049.db2.gz IKSSRPQFMWVMGX-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001700621344 1414291913 /nfs/dbraw/zinc/29/19/13/1414291913.db2.gz RREDVWLOYJNPLE-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC001700624252 1414295933 /nfs/dbraw/zinc/29/59/33/1414295933.db2.gz TUKBJWTVGZOEDX-GJTMMFKISA-N 2 0 349.563 3.099 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001700674820 1414330323 /nfs/dbraw/zinc/33/03/23/1414330323.db2.gz XVSXDDTUSVSADB-SFHVURJKSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001700677345 1414332812 /nfs/dbraw/zinc/33/28/12/1414332812.db2.gz DMCIPTYFYHKPPV-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001700769084 1414446077 /nfs/dbraw/zinc/44/60/77/1414446077.db2.gz XSYCWJQLDLHMPF-AOCRQIFASA-N 2 0 339.568 3.227 10 0 EGAERP CCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001700848452 1414497206 /nfs/dbraw/zinc/49/72/06/1414497206.db2.gz VCUYQUWSPJZRIO-VQIMIIECSA-N 2 0 331.504 3.131 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700852446 1414500394 /nfs/dbraw/zinc/50/03/94/1414500394.db2.gz ATOIBOMBWNVSIB-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001700976320 1414611837 /nfs/dbraw/zinc/61/18/37/1414611837.db2.gz OTCGAQBHCYGWRS-ROUUACIJSA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)C1CC[NH+](CC2CC2)CC1)C(C)C ZINC001700976202 1414612440 /nfs/dbraw/zinc/61/24/40/1414612440.db2.gz KGOVVAKSRABECU-UHFFFAOYSA-N 2 0 349.563 3.243 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001701006464 1414662367 /nfs/dbraw/zinc/66/23/67/1414662367.db2.gz FZTPLZDEXKHODF-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001701031656 1414694755 /nfs/dbraw/zinc/69/47/55/1414694755.db2.gz SXELUIFDOZARKT-ABHNRTSZSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CCC2CCCCCC2)CC1 ZINC001701055881 1414712079 /nfs/dbraw/zinc/71/20/79/1414712079.db2.gz NBTZJIBJAFOHFZ-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CCCC1CCCC1 ZINC001732597661 1428838515 /nfs/dbraw/zinc/83/85/15/1428838515.db2.gz QBTBZCOKNSAUFS-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001732628971 1428891669 /nfs/dbraw/zinc/89/16/69/1428891669.db2.gz WORYXUVCWUNOHL-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001732728793 1428931830 /nfs/dbraw/zinc/93/18/30/1428931830.db2.gz MVNYBZZDWLKCCR-SFHVURJKSA-N 2 0 347.547 3.266 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732735066 1428936156 /nfs/dbraw/zinc/93/61/56/1428936156.db2.gz USQXCGAAKGNHCC-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001732811948 1428990027 /nfs/dbraw/zinc/99/00/27/1428990027.db2.gz HJSRSFRKZJRBNA-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001733014003 1429133671 /nfs/dbraw/zinc/13/36/71/1429133671.db2.gz VDHDSLOQXLZKLC-DOQDTIJOSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001707062869 1417178188 /nfs/dbraw/zinc/17/81/88/1417178188.db2.gz OCJNCOZICGTRHS-FQEVSTJZSA-N 2 0 345.531 3.331 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001707106356 1417203354 /nfs/dbraw/zinc/20/33/54/1417203354.db2.gz GAUJOVXPMIEMLC-XUVXKRRUSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001707111701 1417205166 /nfs/dbraw/zinc/20/51/66/1417205166.db2.gz XGQATHZFLTWMIV-ZWKOTPCHSA-N 2 0 335.536 3.070 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+]CC1=CCCCC1 ZINC001707174256 1417229214 /nfs/dbraw/zinc/22/92/14/1417229214.db2.gz NSJYETGTNIQLMI-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001733040834 1429169500 /nfs/dbraw/zinc/16/95/00/1429169500.db2.gz AHBSAVLXHZKTBP-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001707235883 1417256357 /nfs/dbraw/zinc/25/63/57/1417256357.db2.gz SKUQWQHBYYQYKD-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001707241276 1417261159 /nfs/dbraw/zinc/26/11/59/1417261159.db2.gz OSQLTLCUIBUMSL-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001707276426 1417283302 /nfs/dbraw/zinc/28/33/02/1417283302.db2.gz YBQJPDCAQCNUOY-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001707277576 1417284167 /nfs/dbraw/zinc/28/41/67/1417284167.db2.gz ABJPQKQPFKOVTJ-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001707281278 1417291817 /nfs/dbraw/zinc/29/18/17/1417291817.db2.gz HMXSGISWRUBSMF-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001707376462 1417300785 /nfs/dbraw/zinc/30/07/85/1417300785.db2.gz ABCVEEOKICKQQY-HKUYNNGSSA-N 2 0 331.504 3.059 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001707399749 1417313347 /nfs/dbraw/zinc/31/33/47/1417313347.db2.gz SOTRDWSKLATXEY-GOSISDBHSA-N 2 0 345.531 3.369 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCCC1CCCC1 ZINC001707407024 1417319498 /nfs/dbraw/zinc/31/94/98/1417319498.db2.gz MMHHYFQYDZFXLW-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450127 1417354086 /nfs/dbraw/zinc/35/40/86/1417354086.db2.gz ZGWXPSIMNMWBQL-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C2CCC2)c1 ZINC001733045815 1429178817 /nfs/dbraw/zinc/17/88/17/1429178817.db2.gz SEAJTBSDGBHURB-MSOLQXFVSA-N 2 0 345.531 3.285 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001712991779 1417542971 /nfs/dbraw/zinc/54/29/71/1417542971.db2.gz XDKVLDNAPOKXBK-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054115 1429194870 /nfs/dbraw/zinc/19/48/70/1429194870.db2.gz NCMGASWHKPEZJZ-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[N@H+](CC2CCCCCC2)C2CC2)CCC1 ZINC001713038817 1417589624 /nfs/dbraw/zinc/58/96/24/1417589624.db2.gz JHPCYOKTDSCDHD-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001713057542 1417612020 /nfs/dbraw/zinc/61/20/20/1417612020.db2.gz RAYAIOJZJHRNER-SREVYHEPSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)C1CCCCC1 ZINC001713197449 1417768656 /nfs/dbraw/zinc/76/86/56/1417768656.db2.gz LRUIOYVJXGNZPK-CALCHBBNSA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001713205746 1417775936 /nfs/dbraw/zinc/77/59/36/1417775936.db2.gz PBQKIWFPXCZKKB-WNRNVDISSA-N 2 0 337.552 3.170 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713252193 1417843750 /nfs/dbraw/zinc/84/37/50/1417843750.db2.gz SJIVHZONLZZOQP-UIHLLAOXSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001713287352 1417913940 /nfs/dbraw/zinc/91/39/40/1417913940.db2.gz YZMBSIKDLWNFHY-YOFXRLGBSA-N 2 0 335.536 3.090 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001713286918 1417914025 /nfs/dbraw/zinc/91/40/25/1417914025.db2.gz INCPXFBEQIFMTO-DPGPQQRUSA-N 2 0 347.547 3.092 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001713288051 1417915437 /nfs/dbraw/zinc/91/54/37/1417915437.db2.gz CJZUVNBTTHLYCH-MEDWBQCRSA-N 2 0 349.563 3.480 10 0 EGAERP Cc1ccccc1C[NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1 ZINC001713291378 1417918922 /nfs/dbraw/zinc/91/89/22/1417918922.db2.gz IYBZVXWLSJBDJF-UHFFFAOYSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001713316401 1417941907 /nfs/dbraw/zinc/94/19/07/1417941907.db2.gz QBGUVHSFISCLNP-PKOBYXMFSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001713331235 1417955414 /nfs/dbraw/zinc/95/54/14/1417955414.db2.gz JPEKAAJKRPOKLX-YLJYHZDGSA-N 2 0 343.515 3.078 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381383 1417991346 /nfs/dbraw/zinc/99/13/46/1417991346.db2.gz IXKFHOOJSXCRQC-MOPGFXCFSA-N 2 0 349.494 3.013 10 0 EGAERP Cc1cc(C)cc(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001713400679 1418022685 /nfs/dbraw/zinc/02/26/85/1418022685.db2.gz JNYDGWAZOUNYBW-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)[C@@]12CC[NH+](C1)CCC2 ZINC001713442443 1418078499 /nfs/dbraw/zinc/07/84/99/1418078499.db2.gz ASOREGXZKYPWIJ-CTNGQTDRSA-N 2 0 347.547 3.023 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001733080066 1429233756 /nfs/dbraw/zinc/23/37/56/1429233756.db2.gz ULJPYWNXPXAAFU-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)CCC1CCCCC1)[NH+]1CCCC1 ZINC001713478223 1418160846 /nfs/dbraw/zinc/16/08/46/1418160846.db2.gz TWALAKUGYOBFPY-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)c1sccc1C[NH+](C)C)CCC(C)(C)C ZINC001713485910 1418179245 /nfs/dbraw/zinc/17/92/45/1418179245.db2.gz NDPOVDHXVWXBPG-UHFFFAOYSA-N 2 0 339.549 3.298 10 0 EGAERP Cc1c(C(=O)N(C)CCC[NH2+]C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001733111765 1429247003 /nfs/dbraw/zinc/24/70/03/1429247003.db2.gz FYDXZKFFBGXMSC-MRXNPFEDSA-N 2 0 344.503 3.377 10 0 EGAERP CC(C)=CC[N@@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001713565887 1418376124 /nfs/dbraw/zinc/37/61/24/1418376124.db2.gz FIUQKMARROAOQG-LJQANCHMSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001713698701 1418454458 /nfs/dbraw/zinc/45/44/58/1418454458.db2.gz QTFHJMNZRSHZGJ-UXHICEINSA-N 2 0 345.531 3.309 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001713698703 1418454940 /nfs/dbraw/zinc/45/49/40/1418454940.db2.gz QTFHJMNZRSHZGJ-WOJBJXKFSA-N 2 0 345.531 3.309 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001733145242 1429261860 /nfs/dbraw/zinc/26/18/60/1429261860.db2.gz OHVJTBVAYRXVSO-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001713714452 1418478887 /nfs/dbraw/zinc/47/88/87/1418478887.db2.gz DYTKOBLIBXMLDB-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCc1ccc(C[NH+]2CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001713785058 1418601802 /nfs/dbraw/zinc/60/18/02/1418601802.db2.gz FZSDWWMAIMYDRK-UHFFFAOYSA-N 2 0 345.531 3.012 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001713891072 1418687679 /nfs/dbraw/zinc/68/76/79/1418687679.db2.gz DUUZCFHXSJCPJK-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C\CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713901476 1418701531 /nfs/dbraw/zinc/70/15/31/1418701531.db2.gz PNNPVYJBQQLDCZ-SREVYHEPSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001713913411 1418709305 /nfs/dbraw/zinc/70/93/05/1418709305.db2.gz XBGLMMIYHJEACK-WCIQWLHISA-N 2 0 349.563 3.218 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713963762 1418743871 /nfs/dbraw/zinc/74/38/71/1418743871.db2.gz KSOMXCSGCHKCQP-DCHJWAOUSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001714019368 1418800512 /nfs/dbraw/zinc/80/05/12/1418800512.db2.gz CCEDGSWJEOACKG-RTBURBONSA-N 2 0 349.563 3.076 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001714043781 1418835628 /nfs/dbraw/zinc/83/56/28/1418835628.db2.gz ZAZZVAPWKJHATP-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001714049516 1418847932 /nfs/dbraw/zinc/84/79/32/1418847932.db2.gz JFMVSJJQNABJID-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001714080155 1418874142 /nfs/dbraw/zinc/87/41/42/1418874142.db2.gz LVUVKRXCMLVBJS-QUCCMNQESA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001714092008 1418885925 /nfs/dbraw/zinc/88/59/25/1418885925.db2.gz NTBAMTFVPXYDGB-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001714100203 1418896554 /nfs/dbraw/zinc/89/65/54/1418896554.db2.gz WMIUVFLKNQSIQU-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccccc1F ZINC001714105633 1418905041 /nfs/dbraw/zinc/90/50/41/1418905041.db2.gz BPOZIVMCIHIAFV-IEBWSBKVSA-N 2 0 349.494 3.073 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714109457 1418910506 /nfs/dbraw/zinc/91/05/06/1418910506.db2.gz XXTHDNJUZLEDOA-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001714118250 1418922512 /nfs/dbraw/zinc/92/25/12/1418922512.db2.gz NRCZOCYFBWAGCI-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714149028 1418955197 /nfs/dbraw/zinc/95/51/97/1418955197.db2.gz BPSLPCCFNCYDCW-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001714152346 1418958831 /nfs/dbraw/zinc/95/88/31/1418958831.db2.gz AECWUUNJZJNUJK-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001714155193 1418965358 /nfs/dbraw/zinc/96/53/58/1418965358.db2.gz FBIWRASFOXHEOJ-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163772 1418974259 /nfs/dbraw/zinc/97/42/59/1418974259.db2.gz WFOHPXBHXUCBFQ-XLIONFOSSA-N 2 0 337.552 3.170 10 0 EGAERP C[N@H+](CC(=O)N[C@](C)(C[NH2+]CC1=CCCCC1)C1CC1)CC(C)(C)C ZINC001714171811 1418979295 /nfs/dbraw/zinc/97/92/95/1418979295.db2.gz JQZOLJMUGRKTFF-OAQYLSRUSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714224763 1419018668 /nfs/dbraw/zinc/01/86/68/1419018668.db2.gz IKUJQIGAOOCTRD-SFHVURJKSA-N 2 0 337.552 3.149 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001714307188 1419087143 /nfs/dbraw/zinc/08/71/43/1419087143.db2.gz CUSRCFGJHDTNBV-GUDVDZBRSA-N 2 0 345.531 3.333 10 0 EGAERP CCCCC[NH2+]Cc1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001714320229 1419099217 /nfs/dbraw/zinc/09/92/17/1419099217.db2.gz JUQBHQNOOLJAAP-UHFFFAOYSA-N 2 0 343.515 3.211 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CCC2=CCCCC2)CC1 ZINC001714325560 1419104353 /nfs/dbraw/zinc/10/43/53/1419104353.db2.gz UHPSZXMQBXLJTA-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C/CC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001714328130 1419107129 /nfs/dbraw/zinc/10/71/29/1419107129.db2.gz VDMBUEACZDKGOD-ONEGZZNKSA-N 2 0 347.547 3.189 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001714406766 1419148187 /nfs/dbraw/zinc/14/81/87/1419148187.db2.gz ILMZCKBHEQWWLD-OALUTQOASA-N 2 0 345.531 3.221 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCC1CCCCCC1 ZINC001714409776 1419149405 /nfs/dbraw/zinc/14/94/05/1419149405.db2.gz LPBHKTCOWFAFOL-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001714413139 1419151274 /nfs/dbraw/zinc/15/12/74/1419151274.db2.gz VRUSXXMBFWNYTK-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001714413137 1419151350 /nfs/dbraw/zinc/15/13/50/1419151350.db2.gz VRUSXXMBFWNYTK-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001714418251 1419155154 /nfs/dbraw/zinc/15/51/54/1419155154.db2.gz XFKMMLHVBWAFDE-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CC1CCCCCC1 ZINC001714422566 1419157957 /nfs/dbraw/zinc/15/79/57/1419157957.db2.gz IMZQPPHQSDLOHM-AOIWGVFYSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001714497740 1419222222 /nfs/dbraw/zinc/22/22/22/1419222222.db2.gz YLBQSZVTEZDUEQ-IBGZPJMESA-N 2 0 347.547 3.380 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001714572083 1419305243 /nfs/dbraw/zinc/30/52/43/1419305243.db2.gz JHLMNGHGKJJTGZ-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)c1ccc(C(C)C)cc1 ZINC001714598865 1419353730 /nfs/dbraw/zinc/35/37/30/1419353730.db2.gz ICKHRDKLDJOBHQ-GOSISDBHSA-N 2 0 345.531 3.405 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001714640991 1419412930 /nfs/dbraw/zinc/41/29/30/1419412930.db2.gz TVTDCDZZBGQYRG-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714717738 1419482673 /nfs/dbraw/zinc/48/26/73/1419482673.db2.gz RFERADMQPCMTAK-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CN(CC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001714727042 1419485261 /nfs/dbraw/zinc/48/52/61/1419485261.db2.gz DUVJFIRKQVUHSY-FGTMMUONSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001714798943 1419514274 /nfs/dbraw/zinc/51/42/74/1419514274.db2.gz ZLRQSQARGFNASW-AZUAARDMSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@H+](CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1)CC(C)(C)C ZINC001714844354 1419556447 /nfs/dbraw/zinc/55/64/47/1419556447.db2.gz NJHLNTLQCCIXLW-HDICACEKSA-N 2 0 349.563 3.076 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001714881989 1419618884 /nfs/dbraw/zinc/61/88/84/1419618884.db2.gz PSCGBPYLXCJUIX-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001714884483 1419623834 /nfs/dbraw/zinc/62/38/34/1419623834.db2.gz NDHLPCXVPDSBQC-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001714915174 1419664891 /nfs/dbraw/zinc/66/48/91/1419664891.db2.gz RWFWAIQPDNQEEA-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001714929435 1419682074 /nfs/dbraw/zinc/68/20/74/1419682074.db2.gz XNDVQZYSODVLNW-RTBURBONSA-N 2 0 335.536 3.092 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001714980019 1419714744 /nfs/dbraw/zinc/71/47/44/1419714744.db2.gz XVNWXMALPLOQDR-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715006590 1419736435 /nfs/dbraw/zinc/73/64/35/1419736435.db2.gz CFLUAQWDVFMTNI-HEVSSNLLSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001715018579 1419749941 /nfs/dbraw/zinc/74/99/41/1419749941.db2.gz IAMIDCICVRQIIP-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)cc1 ZINC001715071194 1419806321 /nfs/dbraw/zinc/80/63/21/1419806321.db2.gz IZWCOWNVNHDXGP-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001715077853 1419812693 /nfs/dbraw/zinc/81/26/93/1419812693.db2.gz WNAKLHUMBFITBF-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001715142574 1419889406 /nfs/dbraw/zinc/88/94/06/1419889406.db2.gz JPBRGKXDHYOXCU-NQIIRXRSSA-N 2 0 349.563 3.483 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001715159167 1419901383 /nfs/dbraw/zinc/90/13/83/1419901383.db2.gz UDLPCGAJEURGJF-QUCCMNQESA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@H](C)C[NH2+]CCC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001715177911 1419913434 /nfs/dbraw/zinc/91/34/34/1419913434.db2.gz JYIQZNUOIBEBLO-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001715184421 1419917253 /nfs/dbraw/zinc/91/72/53/1419917253.db2.gz VAEYQLGCSDIRSB-ZOMPHEGZSA-N 2 0 349.563 3.480 10 0 EGAERP CCC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715188013 1419920471 /nfs/dbraw/zinc/92/04/71/1419920471.db2.gz CJZYYYQWDAIDMQ-AHSYYPKJSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715215885 1419947940 /nfs/dbraw/zinc/94/79/40/1419947940.db2.gz UYXZNRQCPVYTFR-DHJFXDNESA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001715251456 1419976556 /nfs/dbraw/zinc/97/65/56/1419976556.db2.gz BFQRAIJLHMIFBP-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001715304608 1420013262 /nfs/dbraw/zinc/01/32/62/1420013262.db2.gz CDQVQUMKUXTFCP-NVXWUHKLSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001715344002 1420046191 /nfs/dbraw/zinc/04/61/91/1420046191.db2.gz VSBVNRYJQRBTJQ-QFBILLFUSA-N 2 0 347.547 3.261 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001715365042 1420062332 /nfs/dbraw/zinc/06/23/32/1420062332.db2.gz REFNZOPWAQTBCN-QFBILLFUSA-N 2 0 343.531 3.072 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001715393422 1420090895 /nfs/dbraw/zinc/09/08/95/1420090895.db2.gz NSIXLYPNJKKWPM-QUCCMNQESA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001715461052 1420140828 /nfs/dbraw/zinc/14/08/28/1420140828.db2.gz AJIQRWHRDUSBAY-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](C)CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001715479756 1420158152 /nfs/dbraw/zinc/15/81/52/1420158152.db2.gz JMKXEQZPMJTPIL-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)C)CC[N@@H+]1C ZINC001715560611 1420252726 /nfs/dbraw/zinc/25/27/26/1420252726.db2.gz MMEPOSVBUWQMKB-IPMKNSEASA-N 2 0 349.563 3.027 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001715566358 1420256499 /nfs/dbraw/zinc/25/64/99/1420256499.db2.gz KNRZSKNASNVQJF-ICSRJNTNSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)cc1C ZINC001715578611 1420261006 /nfs/dbraw/zinc/26/10/06/1420261006.db2.gz RTFFBUUOTKDLPK-VQTJNVASSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715585672 1420261283 /nfs/dbraw/zinc/26/12/83/1420261283.db2.gz FLPQRVFJMGKPSE-SFHVURJKSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C)c1 ZINC001715622142 1420268632 /nfs/dbraw/zinc/26/86/32/1420268632.db2.gz QKPXVCPBSVLCOI-MJGOQNOKSA-N 2 0 333.520 3.047 10 0 EGAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CCC1CCCCCC1 ZINC001715725729 1420312315 /nfs/dbraw/zinc/31/23/15/1420312315.db2.gz CWRRDISLVBOPCP-IBGZPJMESA-N 2 0 337.552 3.173 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001715745338 1420321826 /nfs/dbraw/zinc/32/18/26/1420321826.db2.gz LNBVVZPJLOFGJU-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001715767075 1420333031 /nfs/dbraw/zinc/33/30/31/1420333031.db2.gz PFGQCWCVEIBOOF-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1Cl ZINC001715824029 1420357700 /nfs/dbraw/zinc/35/77/00/1420357700.db2.gz GVBVHLZMJFPLDT-LQYUOIDQSA-N 2 0 349.906 3.147 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC001715955174 1420421235 /nfs/dbraw/zinc/42/12/35/1420421235.db2.gz SANXJWOZSVMSKC-VQIMIIECSA-N 2 0 345.531 3.210 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001715961752 1420428159 /nfs/dbraw/zinc/42/81/59/1420428159.db2.gz GMEXVXZQICICJO-AEFFLSMTSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001715961709 1420428420 /nfs/dbraw/zinc/42/84/20/1420428420.db2.gz DWAZLKYQIXKVKY-UZLBHIALSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001715997779 1420452307 /nfs/dbraw/zinc/45/23/07/1420452307.db2.gz VCESONILZZEFKV-KRWDZBQOSA-N 2 0 347.547 3.382 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716140693 1420539393 /nfs/dbraw/zinc/53/93/93/1420539393.db2.gz ZOQGULVIUISNFR-ZWKOTPCHSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001716145018 1420541075 /nfs/dbraw/zinc/54/10/75/1420541075.db2.gz CAMNEOMEUUOIBN-ROUUACIJSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@H](CC[NH2+][C@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164643 1420547498 /nfs/dbraw/zinc/54/74/98/1420547498.db2.gz XUHFVWHLKPVIQL-IAGOWNOFSA-N 2 0 331.504 3.106 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716222376 1420570900 /nfs/dbraw/zinc/57/09/00/1420570900.db2.gz YNDSLZKCXVFWQH-SJORKVTESA-N 2 0 349.494 3.199 10 0 EGAERP Cc1cc(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)cs1 ZINC001716293778 1420595927 /nfs/dbraw/zinc/59/59/27/1420595927.db2.gz LCORKFQDPGQHMN-AATRIKPKSA-N 2 0 349.544 3.083 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1CCCC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716336576 1420608479 /nfs/dbraw/zinc/60/84/79/1420608479.db2.gz IPNNNEWAGMGQIX-HCZHMGAMSA-N 2 0 347.547 3.236 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001716542155 1420755236 /nfs/dbraw/zinc/75/52/36/1420755236.db2.gz VFIHKQZLAQJNST-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([C@H]2CC[N@H+](CC3CCC3)C2)CC1 ZINC001733269579 1429430609 /nfs/dbraw/zinc/43/06/09/1429430609.db2.gz PVEHUBQROZEWBC-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001733269555 1429430719 /nfs/dbraw/zinc/43/07/19/1429430719.db2.gz PGHGLCVHBIYRMP-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001716625692 1420786307 /nfs/dbraw/zinc/78/63/07/1420786307.db2.gz YJHLBFPPUOAWGD-HXUWFJFHSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCC1 ZINC001716632226 1420791554 /nfs/dbraw/zinc/79/15/54/1420791554.db2.gz WZJAMAUNGTXDDL-OALUTQOASA-N 2 0 349.563 3.027 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001733272374 1429434812 /nfs/dbraw/zinc/43/48/12/1429434812.db2.gz MIXNTCJQGIZZOB-QBUWPKIASA-N 2 0 335.536 3.020 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001716653946 1420807576 /nfs/dbraw/zinc/80/75/76/1420807576.db2.gz SBNUXMUMOWQGMO-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CC2)C1 ZINC001716699363 1420851872 /nfs/dbraw/zinc/85/18/72/1420851872.db2.gz NJNCZKHQVPUZII-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1)c1ccccc1F ZINC001716700792 1420853871 /nfs/dbraw/zinc/85/38/71/1420853871.db2.gz PFJFZCZXXYTLCT-INIZCTEOSA-N 2 0 347.478 3.001 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001716707511 1420861544 /nfs/dbraw/zinc/86/15/44/1420861544.db2.gz ZOWRTHAKDSWOKY-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001716724029 1420881620 /nfs/dbraw/zinc/88/16/20/1420881620.db2.gz BNLPRHMOAXCSIP-KKHYBRAUSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001716727873 1420886187 /nfs/dbraw/zinc/88/61/87/1420886187.db2.gz KKFIEOSRTJQRCW-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001716753517 1420904729 /nfs/dbraw/zinc/90/47/29/1420904729.db2.gz ITHMCHJPITVPEC-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001716763160 1420909704 /nfs/dbraw/zinc/90/97/04/1420909704.db2.gz GAOSFALQIIECHN-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001716796860 1420929972 /nfs/dbraw/zinc/92/99/72/1420929972.db2.gz KCKRVBHSTAILAG-GOSISDBHSA-N 2 0 331.504 3.060 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001716798967 1420932297 /nfs/dbraw/zinc/93/22/97/1420932297.db2.gz KSVCZMGIUNYLDR-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001733278127 1429446005 /nfs/dbraw/zinc/44/60/05/1429446005.db2.gz TWJVQYDPSBWALG-YLJYHZDGSA-N 2 0 349.563 3.076 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716848378 1420977221 /nfs/dbraw/zinc/97/72/21/1420977221.db2.gz BZTJGDNIPBBRGJ-UWJYYQICSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](c1ccccc1F)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001716887786 1421011673 /nfs/dbraw/zinc/01/16/73/1421011673.db2.gz ZCVAMHHMJHVAND-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001716898306 1421026759 /nfs/dbraw/zinc/02/67/59/1421026759.db2.gz SOMWURPBTBEYTQ-HXUWFJFHSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716972669 1421057595 /nfs/dbraw/zinc/05/75/95/1421057595.db2.gz CUWRFEJUANQJGY-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717037933 1421092118 /nfs/dbraw/zinc/09/21/18/1421092118.db2.gz HHSSSEYOBGCNIM-UFYCRDLUSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001717041008 1421095494 /nfs/dbraw/zinc/09/54/94/1421095494.db2.gz RDAZAIHKRLDQQA-RQFBSITCSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001717103261 1421111174 /nfs/dbraw/zinc/11/11/74/1421111174.db2.gz YGZUWNZOFHDTRR-PKOBYXMFSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001717111180 1421114925 /nfs/dbraw/zinc/11/49/25/1421114925.db2.gz NHFQFOYGZMZOSP-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CC3=CCCCC3)CC2)CC1 ZINC001717123034 1421125755 /nfs/dbraw/zinc/12/57/55/1421125755.db2.gz RHIDUPAATFSALA-WGSAOQKQSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)C)CC2 ZINC001717128083 1421129418 /nfs/dbraw/zinc/12/94/18/1421129418.db2.gz NIQKHFVNTPQROE-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001717202147 1421170623 /nfs/dbraw/zinc/17/06/23/1421170623.db2.gz NJGGDAWMGOEAOX-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001733285549 1429459071 /nfs/dbraw/zinc/45/90/71/1429459071.db2.gz RQUUYAFGVBHWAA-KDURUIRLSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717212801 1421187799 /nfs/dbraw/zinc/18/77/99/1421187799.db2.gz NVCLUPZHWYPYRW-GOSISDBHSA-N 2 0 325.541 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733289230 1429466693 /nfs/dbraw/zinc/46/66/93/1429466693.db2.gz OSXRDRBKAGFYEI-NGXITPROSA-N 2 0 349.563 3.389 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001717309380 1421252179 /nfs/dbraw/zinc/25/21/79/1421252179.db2.gz LMRNMANMFXBRDF-YMHTTXFNSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CCC1CCCCC1 ZINC001717372275 1421312082 /nfs/dbraw/zinc/31/20/82/1421312082.db2.gz FXSFIQDNVCGTRF-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001717375890 1421317639 /nfs/dbraw/zinc/31/76/39/1421317639.db2.gz FXKYDMUUFQQJEC-RBUKOAKNSA-N 2 0 337.552 3.364 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001717447939 1421377964 /nfs/dbraw/zinc/37/79/64/1421377964.db2.gz YDUVEIFKTDZQJQ-WAYWQWQTSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001733292701 1429472589 /nfs/dbraw/zinc/47/25/89/1429472589.db2.gz LSZXWDOFTNCEPE-BQYQJAHWSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CCC2=CCCCC2)C1 ZINC001717457100 1421386399 /nfs/dbraw/zinc/38/63/99/1421386399.db2.gz WJFCUGONILDXPC-SFHVURJKSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717458489 1421387940 /nfs/dbraw/zinc/38/79/40/1421387940.db2.gz UWTANSMOBCSBML-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1CCCCCC1)C(=O)C[NH+]1CCCC1 ZINC001717459399 1421389031 /nfs/dbraw/zinc/38/90/31/1421389031.db2.gz AFBXPGLLXKYQNJ-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1CC ZINC001717473929 1421407108 /nfs/dbraw/zinc/40/71/08/1421407108.db2.gz BLSDWJJIMVFOIN-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1ccccc1CC ZINC001717473928 1421407284 /nfs/dbraw/zinc/40/72/84/1421407284.db2.gz BLSDWJJIMVFOIN-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001717511895 1421448654 /nfs/dbraw/zinc/44/86/54/1421448654.db2.gz NQZQSLAHQVUXFI-PMACEKPBSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCC2)C1 ZINC001717539421 1421478651 /nfs/dbraw/zinc/47/86/51/1421478651.db2.gz VGUIPOVYDFWBTD-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001717558461 1421494744 /nfs/dbraw/zinc/49/47/44/1421494744.db2.gz FLIAVUPRGHUWMB-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001717587748 1421516287 /nfs/dbraw/zinc/51/62/87/1421516287.db2.gz LFSNPGOUDSLCHL-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCC3)C[C@H]2C1 ZINC001717624476 1421533919 /nfs/dbraw/zinc/53/39/19/1421533919.db2.gz RPXVUWUOJZPQMB-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717647345 1421549173 /nfs/dbraw/zinc/54/91/73/1421549173.db2.gz QVMBSPVZAKYEFJ-BJLQDIEVSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001717738717 1421602444 /nfs/dbraw/zinc/60/24/44/1421602444.db2.gz QCAZHUNVQTYNCR-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001717837354 1421651101 /nfs/dbraw/zinc/65/11/01/1421651101.db2.gz MZWCICRESSBCLT-NLWGTHIKSA-N 2 0 335.536 3.164 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001717842326 1421657284 /nfs/dbraw/zinc/65/72/84/1421657284.db2.gz XVHFJCSAWGNSBX-PXNSSMCTSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001717861476 1421674387 /nfs/dbraw/zinc/67/43/87/1421674387.db2.gz XCUOIZUMXYWFLH-LPHOPBHVSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC2)C1 ZINC001717874226 1421681784 /nfs/dbraw/zinc/68/17/84/1421681784.db2.gz AEOAYGAQOMZGNP-ZWKOTPCHSA-N 2 0 349.563 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001717906673 1421701794 /nfs/dbraw/zinc/70/17/94/1421701794.db2.gz ZJHBYYLDDQSSDJ-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001717985325 1421757935 /nfs/dbraw/zinc/75/79/35/1421757935.db2.gz FYNITZWCEYBBQB-CZXSNVBGSA-N 2 0 337.552 3.146 10 0 EGAERP CCCCC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001717992981 1421762198 /nfs/dbraw/zinc/76/21/98/1421762198.db2.gz VJVAQHJTWSDPKU-UHFFFAOYSA-N 2 0 337.533 3.193 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001718004024 1421770595 /nfs/dbraw/zinc/77/05/95/1421770595.db2.gz ZWOJUCQDHMMXNV-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001733341084 1429524581 /nfs/dbraw/zinc/52/45/81/1429524581.db2.gz YZAKZSZKOHHKCP-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001733448753 1429659454 /nfs/dbraw/zinc/65/94/54/1429659454.db2.gz RPCVGDDDBSMVHN-ZMBJWTFHSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001733453584 1429667803 /nfs/dbraw/zinc/66/78/03/1429667803.db2.gz MJEQWNRYGSKFBB-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001733457678 1429677612 /nfs/dbraw/zinc/67/76/12/1429677612.db2.gz ACRHOIGUNNJAAX-QUCCMNQESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CCC[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001723102181 1424299925 /nfs/dbraw/zinc/29/99/25/1424299925.db2.gz BSPPMHJAHWTYCK-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001723141621 1424306900 /nfs/dbraw/zinc/30/69/00/1424306900.db2.gz DAOYOPRYJYOHOA-KRWDZBQOSA-N 2 0 349.494 3.028 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001723156697 1424311214 /nfs/dbraw/zinc/31/12/14/1424311214.db2.gz LQCCGIXCSCANOK-LJQANCHMSA-N 2 0 345.531 3.226 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)C ZINC001723390263 1424383894 /nfs/dbraw/zinc/38/38/94/1424383894.db2.gz VRQIQPQSTLJBMW-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCC(C)C)CC2 ZINC001723699481 1424537259 /nfs/dbraw/zinc/53/72/59/1424537259.db2.gz KZPSCKSTFHMPNL-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733535510 1429741982 /nfs/dbraw/zinc/74/19/82/1429741982.db2.gz BPLXAWJUXILOQR-UYAOXDASSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001723864545 1424592205 /nfs/dbraw/zinc/59/22/05/1424592205.db2.gz WOKFUHFFOWDEJV-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001723906122 1424602796 /nfs/dbraw/zinc/60/27/96/1424602796.db2.gz LAJPVOGWNZVTOA-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1 ZINC001724108379 1424668424 /nfs/dbraw/zinc/66/84/24/1424668424.db2.gz CMWBTWGXNBVCDO-QGZVFWFLSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001724161803 1424698006 /nfs/dbraw/zinc/69/80/06/1424698006.db2.gz KTMGRQIKAXJZJP-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(C)CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001724341905 1424837060 /nfs/dbraw/zinc/83/70/60/1424837060.db2.gz APMIHVHWQXFPKQ-TZIWHRDSSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001724558883 1424913041 /nfs/dbraw/zinc/91/30/41/1424913041.db2.gz LDYHTKYRUARDFE-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001724654885 1425018797 /nfs/dbraw/zinc/01/87/97/1425018797.db2.gz UBUYBNSJXHEORI-SLFFLAALSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)CC1 ZINC001724729600 1425081582 /nfs/dbraw/zinc/08/15/82/1425081582.db2.gz VVPWKKCYCQJPLL-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1 ZINC001724884908 1425267277 /nfs/dbraw/zinc/26/72/77/1425267277.db2.gz NVXHULBLPIFQNT-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001724890215 1425276551 /nfs/dbraw/zinc/27/65/51/1425276551.db2.gz MTXHHUAIZGPSDP-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC1([NH2+]CC2CC2)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001724891662 1425278771 /nfs/dbraw/zinc/27/87/71/1425278771.db2.gz UYMGOEPAVNGZEF-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001724991289 1425394983 /nfs/dbraw/zinc/39/49/83/1425394983.db2.gz CDERVXADWFBNED-OIIZEAPSSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725045517 1425475162 /nfs/dbraw/zinc/47/51/62/1425475162.db2.gz ZFOKRJIBHVVDOM-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001725135832 1425609723 /nfs/dbraw/zinc/60/97/23/1425609723.db2.gz BKWJSEIHRPAUKH-ACBHZAAOSA-N 2 0 337.552 3.410 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001725194057 1425744554 /nfs/dbraw/zinc/74/45/54/1425744554.db2.gz IXBBJSMSFIADRD-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001725268584 1425903538 /nfs/dbraw/zinc/90/35/38/1425903538.db2.gz QPOZUYDDPPZTLM-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001725282767 1425919812 /nfs/dbraw/zinc/91/98/12/1425919812.db2.gz FPJSLCADSLLZRU-YQJUVHNHSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1F ZINC001725387859 1426034939 /nfs/dbraw/zinc/03/49/39/1426034939.db2.gz ODGPUPKKMAXSQK-QFBILLFUSA-N 2 0 349.494 3.073 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001725407220 1426051569 /nfs/dbraw/zinc/05/15/69/1426051569.db2.gz USMBBTQYLOJCCY-SFHVURJKSA-N 2 0 345.531 3.020 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC([N@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC001725426440 1426087962 /nfs/dbraw/zinc/08/79/62/1426087962.db2.gz ZKHHRPBTFYFLME-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001725441876 1426102601 /nfs/dbraw/zinc/10/26/01/1426102601.db2.gz YVHIZMCDTYOZSQ-RTBURBONSA-N 2 0 331.504 3.106 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468636 1426138069 /nfs/dbraw/zinc/13/80/69/1426138069.db2.gz LHNHUWJVFPCQSI-VQIMIIECSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001725504861 1426186532 /nfs/dbraw/zinc/18/65/32/1426186532.db2.gz KCOQDMPFYRGOCS-IRXDYDNUSA-N 2 0 341.499 3.289 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725504839 1426187037 /nfs/dbraw/zinc/18/70/37/1426187037.db2.gz PHKPESZCMIKNOW-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725582630 1426238875 /nfs/dbraw/zinc/23/88/75/1426238875.db2.gz CXGXKBMLQLWWBK-UYAOXDASSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001725605915 1426262694 /nfs/dbraw/zinc/26/26/94/1426262694.db2.gz FCUQSQJKZAGRCZ-ICSRJNTNSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@@H]2[NH+](CCCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001725611657 1426270004 /nfs/dbraw/zinc/27/00/04/1426270004.db2.gz YLDXGSMOELMPMX-DCXXXQMHSA-N 2 0 349.563 3.266 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001725664211 1426346460 /nfs/dbraw/zinc/34/64/60/1426346460.db2.gz PUCKJIMYUHXUPW-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001725674548 1426359550 /nfs/dbraw/zinc/35/95/50/1426359550.db2.gz GFBHLJYYPNVURI-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001725678784 1426366379 /nfs/dbraw/zinc/36/63/79/1426366379.db2.gz HXRCNMSPDJASCK-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1cccc(F)c1 ZINC001725681916 1426369681 /nfs/dbraw/zinc/36/96/81/1426369681.db2.gz YQZDYSQNUIMLRV-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1cccc(F)c1)C(=O)C[NH+]1CCCC1 ZINC001725732691 1426404168 /nfs/dbraw/zinc/40/41/68/1426404168.db2.gz KZTUFSAAVWSJOE-QGZVFWFLSA-N 2 0 349.494 3.151 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001725743491 1426420147 /nfs/dbraw/zinc/42/01/47/1426420147.db2.gz ZDMSTVUASCJWTK-OALUTQOASA-N 2 0 345.531 3.182 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)C1CC([NH2+]CC2=CCCCC2)C1 ZINC001725790382 1426476022 /nfs/dbraw/zinc/47/60/22/1426476022.db2.gz NZAKFONRJCKGOU-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725798805 1426483071 /nfs/dbraw/zinc/48/30/71/1426483071.db2.gz ZEGNPYWZXNFFQC-IAGOWNOFSA-N 2 0 347.547 3.020 10 0 EGAERP CCc1ccc(C[N@H+](C)CCCNC(=O)C[NH+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001731285454 1427229095 /nfs/dbraw/zinc/22/90/95/1427229095.db2.gz XUICFWVTQNCGGC-HDICACEKSA-N 2 0 345.531 3.060 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001731387471 1427335834 /nfs/dbraw/zinc/33/58/34/1427335834.db2.gz HTWDNMIBVGSJDA-AZUAARDMSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001731423704 1427403662 /nfs/dbraw/zinc/40/36/62/1427403662.db2.gz AGCXGILRRBWJLQ-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731434790 1427415773 /nfs/dbraw/zinc/41/57/73/1427415773.db2.gz BHDUVIILAAMHTI-RJCMGOLDSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)cc1 ZINC001731457510 1427433591 /nfs/dbraw/zinc/43/35/91/1427433591.db2.gz VUBGIGJMQDWYNI-MXVIHJGJSA-N 2 0 343.515 3.179 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001731468563 1427448527 /nfs/dbraw/zinc/44/85/27/1427448527.db2.gz PLCIBHDGRAFQBQ-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001731591463 1427633163 /nfs/dbraw/zinc/63/31/63/1427633163.db2.gz FYWBIBXPTIEYDM-YLJYHZDGSA-N 2 0 345.531 3.277 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCCC1 ZINC001731601092 1427644039 /nfs/dbraw/zinc/64/40/39/1427644039.db2.gz MYWJFSYZZQPTOZ-INIZCTEOSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001731621433 1427672321 /nfs/dbraw/zinc/67/23/21/1427672321.db2.gz DAYJGIFOBJGEDX-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001731641401 1427700959 /nfs/dbraw/zinc/70/09/59/1427700959.db2.gz STSPYDYNSPORHC-PXNSSMCTSA-N 2 0 343.515 3.034 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001731694754 1427744066 /nfs/dbraw/zinc/74/40/66/1427744066.db2.gz MDOKASRGNVVPAE-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCCC(C)(C)C)C2)C1 ZINC001731710164 1427765683 /nfs/dbraw/zinc/76/56/83/1427765683.db2.gz DRVVOBYGQVNNIC-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCC2CCCCC2)C1 ZINC001731720219 1427788720 /nfs/dbraw/zinc/78/87/20/1427788720.db2.gz MMYDHDWDFDQBJK-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC001731757157 1427857984 /nfs/dbraw/zinc/85/79/84/1427857984.db2.gz MMWLHWQXLBWLQX-FQEVSTJZSA-N 2 0 343.515 3.133 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001731796206 1427949550 /nfs/dbraw/zinc/94/95/50/1427949550.db2.gz WEWONDZNDFDWLU-UHFFFAOYSA-N 2 0 345.531 3.234 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731840978 1428063306 /nfs/dbraw/zinc/06/33/06/1428063306.db2.gz IANGUQRCKNGPNM-WYNBNGFRSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001733691513 1429907949 /nfs/dbraw/zinc/90/79/49/1429907949.db2.gz IRIJTQRKMYYTFX-SHOKJUJBSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001733692087 1429909388 /nfs/dbraw/zinc/90/93/88/1429909388.db2.gz XBWUZZUZJXEQRB-WGSAOQKQSA-N 2 0 335.536 3.092 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001733761036 1429975371 /nfs/dbraw/zinc/97/53/71/1429975371.db2.gz NVIWOQJNFYNXHY-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001733769323 1429997058 /nfs/dbraw/zinc/99/70/58/1429997058.db2.gz QDVAIFRGYLZGCS-ICSRJNTNSA-N 2 0 345.531 3.239 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001733780843 1430043890 /nfs/dbraw/zinc/04/38/90/1430043890.db2.gz SJLCNHNSONEUBQ-RTBURBONSA-N 2 0 345.531 3.096 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001733803392 1430071434 /nfs/dbraw/zinc/07/14/34/1430071434.db2.gz VKGAJIUTBVGESD-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP CCC1([NH2+]Cc2ccccc2F)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001733809128 1430083955 /nfs/dbraw/zinc/08/39/55/1430083955.db2.gz GHDCTJGCDUSEJR-UHFFFAOYSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001733813000 1430091690 /nfs/dbraw/zinc/09/16/90/1430091690.db2.gz DNSYNLDZLAMKRV-RXVVDRJESA-N 2 0 349.563 3.221 10 0 EGAERP CC1([NH2+]CCCC2CCC2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001733869254 1437695538 /nfs/dbraw/zinc/69/55/38/1437695538.db2.gz FQXOURMEKOAMRS-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC001733880217 1437706689 /nfs/dbraw/zinc/70/66/89/1437706689.db2.gz ZKZBWPYLNOZDBB-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001733898885 1437716525 /nfs/dbraw/zinc/71/65/25/1437716525.db2.gz GAAFKZGFOHFAEG-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001733906926 1437724560 /nfs/dbraw/zinc/72/45/60/1437724560.db2.gz ALBYKEYPWLNVRJ-QWXNRMGCSA-N 2 0 343.515 3.059 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733919948 1437733912 /nfs/dbraw/zinc/73/39/12/1437733912.db2.gz PROKLOYULARLJR-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC(CC)CC ZINC001733928739 1437741651 /nfs/dbraw/zinc/74/16/51/1437741651.db2.gz KYBYGHIFBIUJAS-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001733977793 1437776555 /nfs/dbraw/zinc/77/65/55/1437776555.db2.gz IDFKASKGMIYQNL-HUUCEWRRSA-N 2 0 330.476 3.175 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001733995635 1437789617 /nfs/dbraw/zinc/78/96/17/1437789617.db2.gz BZGRWYQGHKTVAD-MSOLQXFVSA-N 2 0 345.531 3.098 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001734003070 1437795345 /nfs/dbraw/zinc/79/53/45/1437795345.db2.gz NJGFNSQDXWBFOT-QZTJIDSGSA-N 2 0 345.531 3.108 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001734038325 1437826180 /nfs/dbraw/zinc/82/61/80/1437826180.db2.gz AQHQYTLPLPEHLL-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCC(C)(C)C ZINC001734046317 1437835059 /nfs/dbraw/zinc/83/50/59/1437835059.db2.gz MNZRJTBCKLNRLJ-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)[C@H]1CCc2ccccc21 ZINC001734053167 1437843344 /nfs/dbraw/zinc/84/33/44/1437843344.db2.gz JQJABECIDDGNRL-APWZRJJASA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H](C)[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734064470 1437859583 /nfs/dbraw/zinc/85/95/83/1437859583.db2.gz BZVFSSUNDARVHK-GJZGRUSLSA-N 2 0 339.911 3.178 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734261609 1437977608 /nfs/dbraw/zinc/97/76/08/1437977608.db2.gz OZBHJBDVGFXBES-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001734327657 1438052242 /nfs/dbraw/zinc/05/22/42/1438052242.db2.gz YWEYWPAZGDYAOR-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC(C)(C)C ZINC001734344015 1438063667 /nfs/dbraw/zinc/06/36/67/1438063667.db2.gz FORSEDDJRXEXTE-MRXNPFEDSA-N 2 0 333.520 3.235 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001734398377 1438082045 /nfs/dbraw/zinc/08/20/45/1438082045.db2.gz GTYKNCMJZMTEIM-MJGOQNOKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001734436278 1438098276 /nfs/dbraw/zinc/09/82/76/1438098276.db2.gz CMKYOQYQTKLANR-VNYTWHDVSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001734441670 1438103506 /nfs/dbraw/zinc/10/35/06/1438103506.db2.gz HIAWMJLNFHATKK-TZIWHRDSSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2 ZINC001734444030 1438105540 /nfs/dbraw/zinc/10/55/40/1438105540.db2.gz UGDGRPJOIYOYEU-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001734455785 1438113453 /nfs/dbraw/zinc/11/34/53/1438113453.db2.gz FTTKOXDRMHDWDC-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001734476471 1438125535 /nfs/dbraw/zinc/12/55/35/1438125535.db2.gz NWJOFYCQGMVBQT-MSOLQXFVSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487903 1438129510 /nfs/dbraw/zinc/12/95/10/1438129510.db2.gz OQLALJKZZMSKQX-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001734496007 1438132412 /nfs/dbraw/zinc/13/24/12/1438132412.db2.gz NGTMTWJGXGPVRN-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001734496728 1438132878 /nfs/dbraw/zinc/13/28/78/1438132878.db2.gz RNRGAUMSEKJNIK-XXCOWLKOSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001734499241 1438133992 /nfs/dbraw/zinc/13/39/92/1438133992.db2.gz CIGMVBVVDUSEAU-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001734552335 1438150416 /nfs/dbraw/zinc/15/04/16/1438150416.db2.gz QSFFLOONBSELNO-ICSRJNTNSA-N 2 0 345.531 3.401 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001734554646 1438153417 /nfs/dbraw/zinc/15/34/17/1438153417.db2.gz PHMZGIMHMPVVGH-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001734611768 1438187152 /nfs/dbraw/zinc/18/71/52/1438187152.db2.gz LIZGOSHCCDAVSS-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001734634343 1438194755 /nfs/dbraw/zinc/19/47/55/1438194755.db2.gz UBXRJZSBTWWUDM-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001734634342 1438194815 /nfs/dbraw/zinc/19/48/15/1438194815.db2.gz UBXRJZSBTWWUDM-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001750946076 1440118844 /nfs/dbraw/zinc/11/88/44/1440118844.db2.gz ARUXSHIIPSJWDK-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CSc1ccc(C[N@@H+]2CCC[C@@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000020452548 212131101 /nfs/dbraw/zinc/13/11/01/212131101.db2.gz XJQOETQNECQBSF-GOSISDBHSA-N 2 0 335.561 3.256 10 0 EGAERP Cn1cncc1[C@H]1C[C@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622031 258035199 /nfs/dbraw/zinc/03/51/99/258035199.db2.gz AWZJZJKLRFYXFH-YLJYHZDGSA-N 2 0 346.519 3.027 10 0 EGAERP C[C@H](CCn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000157518012 152706848 /nfs/dbraw/zinc/70/68/48/152706848.db2.gz QBFXTFRZDDUHPC-GOSISDBHSA-N 2 0 326.488 3.437 10 0 EGAERP C[N@H+]1C[C@@H]2C[NH+](CCCCOc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC000193652427 153298859 /nfs/dbraw/zinc/29/88/59/153298859.db2.gz ZJPJSLUKAPVZII-GASCZTMLSA-N 2 0 342.405 3.358 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071711 154139138 /nfs/dbraw/zinc/13/91/38/154139138.db2.gz ACKOZLLJAXITGS-UKAVVXHISA-N 2 0 329.532 3.217 10 0 EGAERP CCCn1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310280866 154143068 /nfs/dbraw/zinc/14/30/68/154143068.db2.gz WKKFEZBHTQYPMM-FXAWDEMLSA-N 2 0 326.488 3.293 10 0 EGAERP CCCN(CC[NH+]1CCCCC1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000348869573 156269059 /nfs/dbraw/zinc/26/90/59/156269059.db2.gz NLWCJUCGEVNZLV-UHFFFAOYSA-N 2 0 341.503 3.274 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CCOCC1 ZINC000248415562 163003085 /nfs/dbraw/zinc/00/30/85/163003085.db2.gz OEZASGMLTOSAMM-VRXWPRPYSA-N 2 0 328.500 3.302 10 0 EGAERP CC[NH+](CC)CCOCC[NH2+]Cc1ccc(Br)c(F)c1 ZINC000350262728 165024086 /nfs/dbraw/zinc/02/40/86/165024086.db2.gz HXULNFPKAKWCJZ-UHFFFAOYSA-N 2 0 347.272 3.036 10 0 EGAERP FC(F)Cn1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000352050974 165211856 /nfs/dbraw/zinc/21/18/56/165211856.db2.gz XKODGGVFANOIEG-UHFFFAOYSA-N 2 0 348.441 3.424 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccsc2Cl)(N2CCCCC2)CC1 ZINC000359733319 167217891 /nfs/dbraw/zinc/21/78/91/167217891.db2.gz SUKVYPZGCXOFOA-UHFFFAOYSA-N 2 0 341.952 3.441 10 0 EGAERP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000367551609 168240598 /nfs/dbraw/zinc/24/05/98/168240598.db2.gz LHBVANYDPYGCFX-OTWHNJEPSA-N 2 0 332.488 3.099 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000166437899 226158847 /nfs/dbraw/zinc/15/88/47/226158847.db2.gz ZCVHSDQGNMMGRC-UHFFFAOYSA-N 2 0 336.277 3.429 10 0 EGAERP CC(C)OC(=O)c1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)cc1 ZINC000269669850 266336925 /nfs/dbraw/zinc/33/69/25/266336925.db2.gz ABBCHJGEIBKBCY-UHFFFAOYSA-N 2 0 327.428 3.355 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279262705 275317314 /nfs/dbraw/zinc/31/73/14/275317314.db2.gz UEUDWVXUTBFSLR-IRXDYDNUSA-N 2 0 347.503 3.076 10 0 EGAERP COc1cccc(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098442 278009388 /nfs/dbraw/zinc/00/93/88/278009388.db2.gz SLVQCIKCALWVJH-PKOBYXMFSA-N 2 0 339.483 3.133 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000354249683 279153510 /nfs/dbraw/zinc/15/35/10/279153510.db2.gz APZFKMFGNUOZOJ-HKUYNNGSSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[C@@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CS1 ZINC000364862675 280031759 /nfs/dbraw/zinc/03/17/59/280031759.db2.gz RIKKQWZITKIRMJ-ROUUACIJSA-N 2 0 339.593 3.056 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000073366194 307385555 /nfs/dbraw/zinc/38/55/55/307385555.db2.gz CZTFYIVMSNHWHG-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414168795 309064471 /nfs/dbraw/zinc/06/44/71/309064471.db2.gz ALRNNKINRNAPNV-HMXCVIKNSA-N 3 0 329.532 3.219 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)Cc1ccccc1 ZINC000248549741 308005472 /nfs/dbraw/zinc/00/54/72/308005472.db2.gz GAVSYVMRISSZNU-XMSQKQJNSA-N 2 0 338.495 3.222 10 0 EGAERP Cc1cc(C[NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)ccc1C(F)(F)F ZINC000414451353 309080994 /nfs/dbraw/zinc/08/09/94/309080994.db2.gz NIROJEVFKVDYLC-UHFFFAOYSA-N 2 0 343.437 3.129 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)c2ccccc21)N1CC[NH+](C)CC1 ZINC000293792294 308162341 /nfs/dbraw/zinc/16/23/41/308162341.db2.gz QQVAOHHFECLEDZ-HOTGVXAUSA-N 2 0 329.463 3.265 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)cs1 ZINC000294671826 308244372 /nfs/dbraw/zinc/24/43/72/308244372.db2.gz AMWXVZCOWRKISQ-IBGZPJMESA-N 2 0 330.497 3.303 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]Cc1cccc(C[NH2+][C@@H]2CCOC2(C)C)c1 ZINC000295252268 308307633 /nfs/dbraw/zinc/30/76/33/308307633.db2.gz QNRPFGJIPFLDOB-QZTJIDSGSA-N 2 0 332.488 3.001 10 0 EGAERP OC1(C[NH2+][C@H]2CCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397501325 308904541 /nfs/dbraw/zinc/90/45/41/308904541.db2.gz AFRABMWLRPLJJQ-NRFANRHFSA-N 2 0 336.479 3.291 10 0 EGAERP Cc1cccc(CC[C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415049373 309116456 /nfs/dbraw/zinc/11/64/56/309116456.db2.gz GZXVIWVCSMLFGG-PELRDEGISA-N 2 0 329.532 3.122 10 0 EGAERP c1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053787 309116705 /nfs/dbraw/zinc/11/67/05/309116705.db2.gz MWGGBOIRXQIZDB-JSRAGOMMSA-N 2 0 327.516 3.129 10 0 EGAERP C[C@@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415055865 309117079 /nfs/dbraw/zinc/11/70/79/309117079.db2.gz PCZJXOIWKLEFAU-JYAXOCDNSA-N 2 0 341.543 3.303 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415062030 309117743 /nfs/dbraw/zinc/11/77/43/309117743.db2.gz XQFRTBPZZMSUHA-DVOMOZLQSA-N 2 0 325.294 3.297 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCCC[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000415896218 309146504 /nfs/dbraw/zinc/14/65/04/309146504.db2.gz CZQQMIJURKIUOP-IAGOWNOFSA-N 2 0 346.519 3.286 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000415916185 309148322 /nfs/dbraw/zinc/14/83/22/309148322.db2.gz AZXNTOQOPSFOIJ-UHFFFAOYSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000415944085 309150502 /nfs/dbraw/zinc/15/05/02/309150502.db2.gz NVSYOURAOQBYFS-IBGZPJMESA-N 2 0 340.471 3.221 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC2([NH+](C)C)CCCCCC2)cc1 ZINC000416846717 309183571 /nfs/dbraw/zinc/18/35/71/309183571.db2.gz IHORXYBZKHWXGT-INIZCTEOSA-N 2 0 346.519 3.160 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@H](CCC[NH3+])c1ccccc1 ZINC000417528163 309209467 /nfs/dbraw/zinc/20/94/67/309209467.db2.gz FBBSHAWOKJBNFQ-ZHALLVOQSA-N 2 0 346.519 3.029 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CC3 ZINC000421365383 309320513 /nfs/dbraw/zinc/32/05/13/309320513.db2.gz AIKNOFICLAEDPM-PCKAHOCUSA-N 2 0 341.499 3.496 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H]3CC(C)=C[C@H](C)C3)CC2)CC1 ZINC000421374163 309321369 /nfs/dbraw/zinc/32/13/69/309321369.db2.gz NOXLVWRDTSXLCE-ICSRJNTNSA-N 2 0 333.564 3.471 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@H](C)C1 ZINC000421878489 309344628 /nfs/dbraw/zinc/34/46/28/309344628.db2.gz LZJCODLKICTADY-SQNIBIBYSA-N 2 0 340.577 3.246 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC23CCSCC3)[C@@H](C)C1 ZINC000421878482 309344689 /nfs/dbraw/zinc/34/46/89/309344689.db2.gz LZJCODLKICTADY-BZSNNMDCSA-N 2 0 340.577 3.246 10 0 EGAERP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836702 309371117 /nfs/dbraw/zinc/37/11/17/309371117.db2.gz RSYZAJLANUIASG-QHAWAJNXSA-N 2 0 338.499 3.332 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])CCOCC1 ZINC000422897394 309374872 /nfs/dbraw/zinc/37/48/72/309374872.db2.gz JKTJLXODVYMXQH-IEBWSBKVSA-N 2 0 346.515 3.159 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000422932418 309376848 /nfs/dbraw/zinc/37/68/48/309376848.db2.gz FROVZZXIKGTUMK-NSHDSACASA-N 2 0 334.261 3.462 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000423050675 309383198 /nfs/dbraw/zinc/38/31/98/309383198.db2.gz LREWSZIBHMJVOY-CQSZACIVSA-N 2 0 345.468 3.400 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423072003 309384446 /nfs/dbraw/zinc/38/44/46/309384446.db2.gz INXSZCQCMOHIMB-CQSZACIVSA-N 2 0 326.431 3.120 10 0 EGAERP COc1ccc([C@H](NCCCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423137458 309387934 /nfs/dbraw/zinc/38/79/34/309387934.db2.gz QZYZASBKSRSSRJ-SFTDATJTSA-N 2 0 345.531 3.344 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423154696 309388764 /nfs/dbraw/zinc/38/87/64/309388764.db2.gz PKAREFZNDGRVMV-ZFWWWQNUSA-N 2 0 348.441 3.250 10 0 EGAERP COc1ccc(Cc2nc(C)c([C@@H](C)[NH2+]CCC[NH3+])s2)cc1OC ZINC000423192950 309389975 /nfs/dbraw/zinc/38/99/75/309389975.db2.gz QJFWBJWMBDDSAF-GFCCVEGCSA-N 2 0 349.500 3.059 10 0 EGAERP C[C@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000423333610 309395707 /nfs/dbraw/zinc/39/57/07/309395707.db2.gz HXYQENUDLKALIA-WOZUAGRISA-N 2 0 327.516 3.161 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@H]3SC)CC2)cc1 ZINC000425352253 309475212 /nfs/dbraw/zinc/47/52/12/309475212.db2.gz MQJRPXFWSFBFGJ-RTBURBONSA-N 2 0 334.529 3.391 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426100964 309499588 /nfs/dbraw/zinc/49/95/88/309499588.db2.gz POTUBPPDNAYZQF-GUDVDZBRSA-N 2 0 349.563 3.362 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cc(C)oc3C)cn2)CC1 ZINC000447532392 309980957 /nfs/dbraw/zinc/98/09/57/309980957.db2.gz UDTJKUUUGNVACG-INIZCTEOSA-N 2 0 342.487 3.284 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449131641 310039210 /nfs/dbraw/zinc/03/92/10/310039210.db2.gz ONLFFCUNVQRRCJ-UHFFFAOYSA-N 2 0 332.488 3.450 10 0 EGAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449183202 310042794 /nfs/dbraw/zinc/04/27/94/310042794.db2.gz BUQNHPGTZZIHDC-UHFFFAOYSA-N 2 0 337.316 3.380 10 0 EGAERP COc1ccc(-n2cc(C[NH2+]C3CCC(C[NH+](C)C)CC3)cn2)cc1 ZINC000449201146 310044170 /nfs/dbraw/zinc/04/41/70/310044170.db2.gz ICQHULQXPRUOFN-UHFFFAOYSA-N 2 0 342.487 3.091 10 0 EGAERP CCOC1CC(O)(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449284055 310050092 /nfs/dbraw/zinc/05/00/92/310050092.db2.gz NURQMHAYXTXJEV-UHFFFAOYSA-N 2 0 340.552 3.185 10 0 EGAERP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000449311660 310052322 /nfs/dbraw/zinc/05/23/22/310052322.db2.gz NGQDRUOXFSCIRG-INIZCTEOSA-N 2 0 328.456 3.473 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@](C)(COC)C2)CC1 ZINC000449398825 310058830 /nfs/dbraw/zinc/05/88/30/310058830.db2.gz ZAORZOBQLKOOOH-OAQYLSRUSA-N 2 0 345.531 3.077 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490181 310066381 /nfs/dbraw/zinc/06/63/81/310066381.db2.gz WJXIEQUYDNZJDV-SJLPKXTDSA-N 2 0 326.500 3.385 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000449578397 310073423 /nfs/dbraw/zinc/07/34/23/310073423.db2.gz LRNSVYZLKWKNOH-DSKINZAPSA-N 2 0 330.516 3.223 10 0 EGAERP COCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000449739627 310083494 /nfs/dbraw/zinc/08/34/94/310083494.db2.gz BGKKQMKFJBBJHJ-UHFFFAOYSA-N 2 0 330.516 3.490 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)[C@H]3CCC[C@@H]32)cc1 ZINC000453187801 310263126 /nfs/dbraw/zinc/26/31/26/310263126.db2.gz AMLNHLXVSVQZIY-CGXNFDGLSA-N 2 0 328.500 3.446 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@H]2CCC[C@@H]21 ZINC000513654391 312214903 /nfs/dbraw/zinc/21/49/03/312214903.db2.gz IFXMMDVJUMVLTH-AGIUHOORSA-N 2 0 329.307 3.473 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000513761400 312217350 /nfs/dbraw/zinc/21/73/50/312217350.db2.gz MWKMPDQNMPMAKJ-KJJMTIBFSA-N 2 0 343.559 3.402 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000516464916 312324579 /nfs/dbraw/zinc/32/45/79/312324579.db2.gz GXLNNNKEJSGOPJ-WOJBJXKFSA-N 2 0 339.483 3.220 10 0 EGAERP CC[N@@H+]1CC[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029359 312359450 /nfs/dbraw/zinc/35/94/50/312359450.db2.gz JSIWNBBPKVSCGV-VQTJNVASSA-N 2 0 327.516 3.115 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@@H](C)O[C@H](C)C3)cc2)ccn1 ZINC000527635125 312893670 /nfs/dbraw/zinc/89/36/70/312893670.db2.gz VDILTUWEAVEQPQ-QZTJIDSGSA-N 2 0 339.483 3.289 10 0 EGAERP CC1(C)CC(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000528509158 313107722 /nfs/dbraw/zinc/10/77/22/313107722.db2.gz RRAXPHUVVTXSGJ-NRFANRHFSA-N 2 0 341.543 3.315 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208610 313496863 /nfs/dbraw/zinc/49/68/63/313496863.db2.gz FXXQBWRVDNIIPI-XLSPSMHOSA-N 2 0 330.472 3.117 10 0 EGAERP Fc1ccc2nc(C[NH+]3CCC(CO[C@H]4CC[NH2+]C4)CC3)sc2c1 ZINC000530248095 313505179 /nfs/dbraw/zinc/50/51/79/313505179.db2.gz FUYPZXJINHJMOU-HNNXBMFYSA-N 2 0 349.475 3.026 10 0 EGAERP CCCCOc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248755 313505600 /nfs/dbraw/zinc/50/56/00/313505600.db2.gz OUCQROHGTHVZAW-NRFANRHFSA-N 2 0 346.515 3.456 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000535065601 314022933 /nfs/dbraw/zinc/02/29/33/314022933.db2.gz XDONUZLQGOLVEE-CQSZACIVSA-N 2 0 341.902 3.403 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000535065600 314022973 /nfs/dbraw/zinc/02/29/73/314022973.db2.gz XDONUZLQGOLVEE-AWEZNQCLSA-N 2 0 341.902 3.403 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000536626108 314131939 /nfs/dbraw/zinc/13/19/39/314131939.db2.gz CXHHNGHKRZFNOV-CABCVRRESA-N 2 0 341.902 3.403 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000538548585 314253988 /nfs/dbraw/zinc/25/39/88/314253988.db2.gz NDMNUEHCVWMPDQ-MJGOQNOKSA-N 2 0 333.520 3.047 10 0 EGAERP Cc1ccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1C ZINC000539649584 314326419 /nfs/dbraw/zinc/32/64/19/314326419.db2.gz UGZKXVDKQMEUOK-HKUYNNGSSA-N 2 0 333.520 3.047 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000552046860 315193344 /nfs/dbraw/zinc/19/33/44/315193344.db2.gz UYGIOLUVNKXNBG-LRSLUSHPSA-N 2 0 341.543 3.013 10 0 EGAERP c1nc([C@H]2CCC[N@@H+](Cc3ccc4c(n3)CCC4)C2)n2c1CCCC2 ZINC000570296178 317036477 /nfs/dbraw/zinc/03/64/77/317036477.db2.gz GHPQTRRKYUIMMZ-KRWDZBQOSA-N 2 0 336.483 3.483 10 0 EGAERP C[NH+](C)CCCC(C)(C)[NH2+]C[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000387374931 324271352 /nfs/dbraw/zinc/27/13/52/324271352.db2.gz XJEHTIVVYXRTMA-INIZCTEOSA-N 2 0 341.540 3.344 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000579361887 325100099 /nfs/dbraw/zinc/10/00/99/325100099.db2.gz JAQYXSJPMMKVKY-AEGPPILISA-N 2 0 343.302 3.263 10 0 EGAERP [NH3+][C@H]1CCCCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000631833888 460576544 /nfs/dbraw/zinc/57/65/44/460576544.db2.gz KXOCMOBBWYPGFL-HNNXBMFYSA-N 2 0 334.851 3.136 10 0 EGAERP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(F)cc1Br ZINC000629531645 460797717 /nfs/dbraw/zinc/79/77/17/460797717.db2.gz SPYBTMNLGWIQLS-JBLDHEPKSA-N 2 0 345.231 3.205 10 0 EGAERP c1ccc(COc2ccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2)nc1 ZINC000631890783 460591143 /nfs/dbraw/zinc/59/11/43/460591143.db2.gz VGRZEYMGVKMCJZ-NQIIRXRSSA-N 2 0 337.467 3.235 10 0 EGAERP CC[NH+](CC)CC(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000628968049 460597466 /nfs/dbraw/zinc/59/74/66/460597466.db2.gz CLCLKXKXBMKEDC-HNNXBMFYSA-N 2 0 346.302 3.054 10 0 EGAERP CCn1c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)nc2ccccc21 ZINC000067452621 453932209 /nfs/dbraw/zinc/93/22/09/453932209.db2.gz BVZAPLZFVRDXBW-IAGOWNOFSA-N 2 0 344.503 3.035 10 0 EGAERP O=C(Nc1ccn(-c2cc[nH+]cc2)n1)c1cccc(C[NH+]2CCCC2)c1 ZINC000072878115 454355820 /nfs/dbraw/zinc/35/58/20/454355820.db2.gz RQBZOAFJOHVNFQ-UHFFFAOYSA-N 2 0 347.422 3.115 10 0 EGAERP Cc1oc2ccccc2c1C[N@@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000121119556 454393535 /nfs/dbraw/zinc/39/35/35/454393535.db2.gz MSUNUXCFNSLBSJ-OAHLLOKOSA-N 2 0 330.472 3.266 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000097057097 454398033 /nfs/dbraw/zinc/39/80/33/454398033.db2.gz BYGIPVHXBIQZRN-HLAWJBBLSA-N 2 0 339.483 3.334 10 0 EGAERP COC(=O)c1oc([C@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000122585356 454550987 /nfs/dbraw/zinc/55/09/87/454550987.db2.gz ITFVWEBUONDRLG-HNNXBMFYSA-N 2 0 334.460 3.243 10 0 EGAERP CSCCCC[NH2+]Cc1c(Cl)cccc1N1CC[NH+](C)CC1 ZINC000092395617 454560105 /nfs/dbraw/zinc/56/01/05/454560105.db2.gz OXSCHXYLGDSMEN-UHFFFAOYSA-N 2 0 341.952 3.325 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C[C@H](C)C[NH+]1CCCC1)CC3 ZINC000123111955 454603275 /nfs/dbraw/zinc/60/32/75/454603275.db2.gz FBERTKIUFGLSGX-JKSUJKDBSA-N 2 0 341.499 3.355 10 0 EGAERP C[C@@H]1C[C@H]([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CCN1C ZINC000123434820 454636622 /nfs/dbraw/zinc/63/66/22/454636622.db2.gz IFTILLNDUDNKAC-QRQLOZEOSA-N 2 0 348.531 3.138 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCO2 ZINC000124450130 454734451 /nfs/dbraw/zinc/73/44/51/454734451.db2.gz ZBBMQCGGFSXMIM-HXUWFJFHSA-N 2 0 345.531 3.072 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2c(s1)CCC2 ZINC000124454158 454735644 /nfs/dbraw/zinc/73/56/44/454735644.db2.gz ZPFMUZXIJNKAOO-OAHLLOKOSA-N 2 0 335.561 3.161 10 0 EGAERP CNc1cc(N2CCC[C@H]2C[NH2+]Cc2ccc(F)c(Cl)c2)ncn1 ZINC000162031730 454746797 /nfs/dbraw/zinc/74/67/97/454746797.db2.gz DGPPYGCHTVYRKW-ZDUSSCGKSA-N 2 0 349.841 3.069 10 0 EGAERP CNc1cc(N2CCC[C@@H]2C[NH2+][C@@H](C)c2ccc(F)c(F)c2)ncn1 ZINC000124570674 454748580 /nfs/dbraw/zinc/74/85/80/454748580.db2.gz CHKVUTUKCNQFHS-GXTWGEPZSA-N 2 0 347.413 3.116 10 0 EGAERP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124673083 454759169 /nfs/dbraw/zinc/75/91/69/454759169.db2.gz VXKLQJUBXHOUQO-GHTZIAJQSA-N 2 0 341.543 3.460 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000154277498 454880718 /nfs/dbraw/zinc/88/07/18/454880718.db2.gz JFKZVQSQYFPKDW-FQEVSTJZSA-N 2 0 345.531 3.134 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000246425149 455487771 /nfs/dbraw/zinc/48/77/71/455487771.db2.gz NLLVVLQIZOEYSY-CEWLAPEOSA-N 2 0 344.547 3.002 10 0 EGAERP c1[nH]nc2c1C[C@@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000180163915 455143146 /nfs/dbraw/zinc/14/31/46/455143146.db2.gz ILMNVQGEISXKTN-UMQXSMKFSA-N 2 0 336.483 3.052 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)[C@H](C)C1 ZINC000245512912 455318322 /nfs/dbraw/zinc/31/83/22/455318322.db2.gz BHFUDHLMSOUFGO-UIFIKXQLSA-N 2 0 346.515 3.407 10 0 EGAERP C[N@H+](CCCn1ccnc1)[C@@H]1c2cc(Cl)cc(Cl)c2C[C@H]1O ZINC000245652288 455348269 /nfs/dbraw/zinc/34/82/69/455348269.db2.gz HRXULKUUOPCHLP-HZPDHXFCSA-N 2 0 340.254 3.170 10 0 EGAERP CC(=O)Nc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246078146 455422393 /nfs/dbraw/zinc/42/23/93/455422393.db2.gz HSDMHQLZJPRTSS-FXAWDEMLSA-N 2 0 327.472 3.094 10 0 EGAERP C[C@@H](CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076040 455436884 /nfs/dbraw/zinc/43/68/84/455436884.db2.gz OCINOGOCXYKREV-FPOVZHCZSA-N 2 0 329.532 3.282 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000185341941 455543829 /nfs/dbraw/zinc/54/38/29/455543829.db2.gz BRPAZQBCBSOOQL-KRWDZBQOSA-N 2 0 325.456 3.010 10 0 EGAERP CN1CCC[C@H]1C[NH2+][C@H]1CCCOc2c(Br)cccc21 ZINC000247042194 455550296 /nfs/dbraw/zinc/55/02/96/455550296.db2.gz MUAJAQQQITXQFU-WFASDCNBSA-N 2 0 339.277 3.347 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047142 455550833 /nfs/dbraw/zinc/55/08/33/455550833.db2.gz OBGLYQDHVFGZLS-YOEHRIQHSA-N 2 0 335.517 3.009 10 0 EGAERP Cn1c2ccc(C[NH2+][C@H](CC[NH+](C)C)C(C)(C)C)cc2sc1=O ZINC000192567565 455643310 /nfs/dbraw/zinc/64/33/10/455643310.db2.gz KXFPMJDSLSCYCA-MRXNPFEDSA-N 2 0 335.517 3.056 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248393264 455712323 /nfs/dbraw/zinc/71/23/23/455712323.db2.gz DTPBXAXZZQUTIR-YUMYIRISSA-N 2 0 341.543 3.219 10 0 EGAERP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000271768917 455753832 /nfs/dbraw/zinc/75/38/32/455753832.db2.gz UHXSWMYMIWWZMB-MGPUTAFESA-N 2 0 332.463 3.367 10 0 EGAERP C[C@]1(CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000250125540 455785336 /nfs/dbraw/zinc/78/53/36/455785336.db2.gz WBZRGKPOKBLMTM-QHAWAJNXSA-N 2 0 327.516 3.258 10 0 EGAERP Cn1ccnc1C[N@H+](CCC1CCCCC1)[C@@H]1CC12CC[NH2+]CC2 ZINC000261833623 455955607 /nfs/dbraw/zinc/95/56/07/455955607.db2.gz JFDFLEGACGYSDN-GOSISDBHSA-N 2 0 330.520 3.335 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2COCCN2)C1 ZINC000261892878 455967294 /nfs/dbraw/zinc/96/72/94/455967294.db2.gz GUCHJDCWLAFCLD-ZVDSWSACSA-N 2 0 334.426 3.102 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000280721990 456038311 /nfs/dbraw/zinc/03/83/11/456038311.db2.gz MHMQHGNHJDZNGF-GUYCJALGSA-N 2 0 329.419 3.303 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617015217 460710534 /nfs/dbraw/zinc/71/05/34/460710534.db2.gz XUNYIVHJWZSKGN-ROUUACIJSA-N 2 0 331.504 3.059 10 0 EGAERP Fc1cc(CN2CCC[C@H](c3ncc4n3CCCC4)C2)c(F)cn1 ZINC000297071261 456109412 /nfs/dbraw/zinc/10/94/12/456109412.db2.gz ZNFWCTNMHAEFNB-ZDUSSCGKSA-N 2 0 332.398 3.272 10 0 EGAERP COc1cc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c(SC)cc1OC ZINC000297461635 456226414 /nfs/dbraw/zinc/22/64/14/456226414.db2.gz IBXKJDNPIYKMII-UHFFFAOYSA-N 2 0 343.452 3.363 10 0 EGAERP C[N@@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1Cc1ccccc1 ZINC000297557823 456251661 /nfs/dbraw/zinc/25/16/61/456251661.db2.gz GYYSNQRGNSPONB-XZOQPEGZSA-N 2 0 349.522 3.120 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@H](C)C2)[C@H](C)C1 ZINC000297600051 456261455 /nfs/dbraw/zinc/26/14/55/456261455.db2.gz FSMRVDHCXXVJQI-GGPKGHCWSA-N 2 0 345.531 3.074 10 0 EGAERP Cc1[nH+]c2ccccc2c(NC2CCN(CC[NH+](C)C)CC2)c1C ZINC000302086631 456283671 /nfs/dbraw/zinc/28/36/71/456283671.db2.gz NQOFPEFYZNRCGD-UHFFFAOYSA-N 2 0 326.488 3.290 10 0 EGAERP CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000352795795 456316933 /nfs/dbraw/zinc/31/69/33/456316933.db2.gz FPHYQODFICDYAD-IBGZPJMESA-N 2 0 344.499 3.402 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071396 456472838 /nfs/dbraw/zinc/47/28/38/456472838.db2.gz FDOCNLSOLXXIMN-PKOBYXMFSA-N 2 0 345.531 3.497 10 0 EGAERP COC1(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCC1 ZINC000277217594 456729367 /nfs/dbraw/zinc/72/93/67/456729367.db2.gz XEKSRXLRPAAAHD-XLIONFOSSA-N 2 0 346.515 3.081 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283382829 456770185 /nfs/dbraw/zinc/77/01/85/456770185.db2.gz OWUFAKMKMUVGOC-JBACZVJFSA-N 2 0 329.532 3.186 10 0 EGAERP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292042305 456837895 /nfs/dbraw/zinc/83/78/95/456837895.db2.gz APCNKSYOPDIVFP-IERDGZPVSA-N 2 0 337.467 3.194 10 0 EGAERP CC(C)n1ccc(C[C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)n1 ZINC000345062237 456913029 /nfs/dbraw/zinc/91/30/29/456913029.db2.gz IWGWRFYEENWPRK-MRXNPFEDSA-N 2 0 327.476 3.049 10 0 EGAERP C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000349309674 456938510 /nfs/dbraw/zinc/93/85/10/456938510.db2.gz DYEWJSGEKPOZAI-KDOFPFPSSA-N 2 0 334.485 3.073 10 0 EGAERP FC(F)(F)c1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)nc1 ZINC000341832378 456963263 /nfs/dbraw/zinc/96/32/63/456963263.db2.gz ADEGDKFSNRJMDO-UHFFFAOYSA-N 2 0 327.394 3.408 10 0 EGAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000354396107 457197696 /nfs/dbraw/zinc/19/76/96/457197696.db2.gz LVFZNJKAUOGQTF-FQEVSTJZSA-N 2 0 343.515 3.277 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000351849357 457319957 /nfs/dbraw/zinc/31/99/57/457319957.db2.gz PNIPVHLJHPJBIK-HCXYKTFWSA-N 2 0 335.536 3.115 10 0 EGAERP [NH3+]C[C@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390867965 457448207 /nfs/dbraw/zinc/44/82/07/457448207.db2.gz NPQDGOPZYPZXQW-JPGZLTHCSA-N 2 0 327.516 3.289 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397611879 457490531 /nfs/dbraw/zinc/49/05/31/457490531.db2.gz FLKHFQYKEIHZOH-UHFFFAOYSA-N 2 0 338.495 3.420 10 0 EGAERP OC1(CNc2cc[nH+]c3ccccc23)CC[NH+](Cc2ccccc2)CC1 ZINC000397601701 457490664 /nfs/dbraw/zinc/49/06/64/457490664.db2.gz NYSVFAMYBFCNSH-UHFFFAOYSA-N 2 0 347.462 3.096 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000361011626 457511415 /nfs/dbraw/zinc/51/14/15/457511415.db2.gz FUMWHKJKDPNPPN-ZFWWWQNUSA-N 2 0 346.393 3.347 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012970 457511794 /nfs/dbraw/zinc/51/17/94/457511794.db2.gz LMHWJAZNXXPLAD-ZFWWWQNUSA-N 2 0 346.393 3.347 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@H]3SC)CC2)cc1 ZINC000425352251 457513652 /nfs/dbraw/zinc/51/36/52/457513652.db2.gz MQJRPXFWSFBFGJ-RBUKOAKNSA-N 2 0 334.529 3.391 10 0 EGAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cccc21 ZINC000357509447 457570160 /nfs/dbraw/zinc/57/01/60/457570160.db2.gz BRIPIKQXCFJVDZ-MAUKXSAKSA-N 2 0 345.487 3.275 10 0 EGAERP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375890058 458111078 /nfs/dbraw/zinc/11/10/78/458111078.db2.gz RGVCIWZLCUNWEV-ZCNNSNEGSA-N 2 0 343.515 3.179 10 0 EGAERP C[C@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000376028321 458169408 /nfs/dbraw/zinc/16/94/08/458169408.db2.gz JCWQHMXONMNKAF-AFVILVPDSA-N 2 0 327.516 3.256 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026020 458379482 /nfs/dbraw/zinc/37/94/82/458379482.db2.gz QUHKOOIJGAZTKE-ITBHCLRTSA-N 2 0 339.527 3.398 10 0 EGAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423492341 458442473 /nfs/dbraw/zinc/44/24/73/458442473.db2.gz MQQKDDJYGBUNNP-UXIGCNINSA-N 2 0 339.277 3.380 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)CCC2 ZINC000423521242 458450563 /nfs/dbraw/zinc/45/05/63/458450563.db2.gz SJKKRDCHJXBHGX-ATIQYGATSA-N 2 0 327.516 3.042 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541099 458454996 /nfs/dbraw/zinc/45/49/96/458454996.db2.gz RHSIDFHIRDXNDE-OAHLLOKOSA-N 2 0 339.252 3.475 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CC2 ZINC000423561894 458456958 /nfs/dbraw/zinc/45/69/58/458456958.db2.gz WEYYXPMKTFTJHV-KLHDSHLOSA-N 2 0 349.316 3.284 10 0 EGAERP C[C@@H](COc1ccc2cc(Br)ccc2c1)[NH2+]CCC[NH3+] ZINC000437765987 458489989 /nfs/dbraw/zinc/48/99/89/458489989.db2.gz UHWUZNJHQHTTCH-LBPRGKRZSA-N 2 0 337.261 3.308 10 0 EGAERP c1nc2c([nH]1)C[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799636 458532454 /nfs/dbraw/zinc/53/24/54/458532454.db2.gz XFRXRLBESGPWPQ-AKHDSKFASA-N 2 0 336.483 3.052 10 0 EGAERP F[C@@]1(c2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000424199819 458582711 /nfs/dbraw/zinc/58/27/11/458582711.db2.gz QIFJQGFEHLIFPM-VQTJNVASSA-N 2 0 325.431 3.273 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)cc1 ZINC000462793064 458655690 /nfs/dbraw/zinc/65/56/90/458655690.db2.gz PUNXVCGYQWBSQT-SLFFLAALSA-N 2 0 346.515 3.312 10 0 EGAERP Cc1ccc(OCCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000530239897 458728069 /nfs/dbraw/zinc/72/80/69/458728069.db2.gz IGWCSOIRAHHKAW-OAQYLSRUSA-N 2 0 346.515 3.163 10 0 EGAERP COc1cccc([C@H](C)[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)c1 ZINC000441046099 458879304 /nfs/dbraw/zinc/87/93/04/458879304.db2.gz CPLNYRDNNNGJGK-SFHVURJKSA-N 2 0 345.531 3.247 10 0 EGAERP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519777209 459003508 /nfs/dbraw/zinc/00/35/08/459003508.db2.gz YSQJXTUGSUDMMU-SLFFLAALSA-N 2 0 328.500 3.324 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC000594502116 459064824 /nfs/dbraw/zinc/06/48/24/459064824.db2.gz FJCHOIYHKHWYOM-HNAYVOBHSA-N 2 0 330.472 3.172 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC1([NH+](C)C)CCCC1 ZINC000480146122 459185650 /nfs/dbraw/zinc/18/56/50/459185650.db2.gz VWZPZRLPZWRYLC-AZUAARDMSA-N 2 0 329.532 3.361 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000480265707 459191221 /nfs/dbraw/zinc/19/12/21/459191221.db2.gz NSEAXRXTXQLOKW-CTNGQTDRSA-N 2 0 329.532 3.363 10 0 EGAERP Fc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)co2)cc1F ZINC000567990275 459203835 /nfs/dbraw/zinc/20/38/35/459203835.db2.gz PJCSVNQFYFTYOB-OKILXGFUSA-N 2 0 333.382 3.051 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000560144957 459304365 /nfs/dbraw/zinc/30/43/65/459304365.db2.gz GDPKTJYEHAKPEO-FPOVZHCZSA-N 2 0 343.559 3.402 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000591657977 459419254 /nfs/dbraw/zinc/41/92/54/459419254.db2.gz PCGCAQZPYOGWMT-NVXWUHKLSA-N 2 0 326.525 3.310 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCCC[C@H]1C[C@@H](C)O ZINC000582932131 459453969 /nfs/dbraw/zinc/45/39/69/459453969.db2.gz RDBAQWPKMFJHMI-BEFAXECRSA-N 2 0 328.460 3.091 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CC[C@H](C[NH+](C)CC3CC3)C2)c1 ZINC000569719217 459498870 /nfs/dbraw/zinc/49/88/70/459498870.db2.gz PEJNLDIBIYJBRQ-SIEMBAAWSA-N 2 0 329.488 3.157 10 0 EGAERP C[C@H]1CC[N@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000562495984 459572528 /nfs/dbraw/zinc/57/25/28/459572528.db2.gz SYYQIVHUTSINLS-ZIBCJSCZSA-N 2 0 327.516 3.113 10 0 EGAERP Cc1cc2ncn(C[C@@H](O)C[NH2+]CCCC(C)(F)F)c2cc1C ZINC000572870248 459588806 /nfs/dbraw/zinc/58/88/06/459588806.db2.gz IFJSDLFGWUMXHO-AWEZNQCLSA-N 2 0 325.403 3.039 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393808 459590447 /nfs/dbraw/zinc/59/04/47/459590447.db2.gz CUGMJMLFRUVUFZ-JUSBFGHESA-N 2 0 348.556 3.396 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527656131 459686957 /nfs/dbraw/zinc/68/69/57/459686957.db2.gz XIHSFJONPQKTGX-NQERJWCQSA-N 2 0 328.500 3.168 10 0 EGAERP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1cccc(Cl)c1 ZINC000573676682 459715808 /nfs/dbraw/zinc/71/58/08/459715808.db2.gz JBXPBPOAENWFKM-UHFFFAOYSA-N 2 0 335.879 3.275 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000574571181 459835330 /nfs/dbraw/zinc/83/53/30/459835330.db2.gz IGHVEQKRGRKBRD-HNNXBMFYSA-N 2 0 343.393 3.367 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCCC2)C[C@@H]1C ZINC000599065856 460148572 /nfs/dbraw/zinc/14/85/72/460148572.db2.gz RZNIAFLBTNRTTB-RNIPGJKVSA-N 2 0 336.520 3.351 10 0 EGAERP Cc1cccc([C@H]([NH2+]CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)c1 ZINC000625983768 460326268 /nfs/dbraw/zinc/32/62/68/460326268.db2.gz AAABANZKPJBQLS-OAQYLSRUSA-N 2 0 343.515 3.025 10 0 EGAERP C[C@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657880 460492579 /nfs/dbraw/zinc/49/25/79/460492579.db2.gz AZKQWFZAHGCKHK-LRDDRELGSA-N 2 0 330.394 3.059 10 0 EGAERP CCCCNC(=O)c1ccc(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623357614 460506912 /nfs/dbraw/zinc/50/69/12/460506912.db2.gz YEQXSBRQWGPENW-GOSISDBHSA-N 2 0 331.504 3.179 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)CC1(C)C ZINC000623379286 460517894 /nfs/dbraw/zinc/51/78/94/460517894.db2.gz HNDIDIRSNCOVQY-HUUCEWRRSA-N 2 0 337.458 3.254 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000629522343 460793978 /nfs/dbraw/zinc/79/39/78/460793978.db2.gz ZZLILFYXVPLJBW-JKSUJKDBSA-N 2 0 342.405 3.439 10 0 EGAERP C/C=C/COc1ccc(CC[C@@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521418 460794284 /nfs/dbraw/zinc/79/42/84/460794284.db2.gz PFFKKLFGZFUWFU-REMYHPOOSA-N 2 0 332.488 3.060 10 0 EGAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C[NH2+]1 ZINC000629537539 460799716 /nfs/dbraw/zinc/79/97/16/460799716.db2.gz HYCYWGFQCCLWJF-RQSWOZRGSA-N 2 0 327.516 3.160 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000629540025 460801088 /nfs/dbraw/zinc/80/10/88/460801088.db2.gz RWRNXINLHWONSL-HZPDHXFCSA-N 2 0 330.394 3.297 10 0 EGAERP Fc1cc(Br)c2c(c1)CC[N@@H+](CC[C@H]1CCC[NH2+]C1)C2 ZINC000629589932 460817632 /nfs/dbraw/zinc/81/76/32/460817632.db2.gz FKNMHGWMUYPIHH-GFCCVEGCSA-N 2 0 341.268 3.336 10 0 EGAERP COc1ccc(C[N@@H+]2CCCC23CC[NH+](C)CC3)cc1OC1CC1 ZINC000628244261 461062022 /nfs/dbraw/zinc/06/20/22/461062022.db2.gz ZFKGLFXELWAZRJ-UHFFFAOYSA-N 2 0 330.472 3.297 10 0 EGAERP Fc1ccc(F)c(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662259259 461146970 /nfs/dbraw/zinc/14/69/70/461146970.db2.gz SXEGFOJIAHMAGI-KRWDZBQOSA-N 2 0 336.426 3.230 10 0 EGAERP CN(Cc1ccccc1)[C@@H]1CC[N@H+](Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662263876 461149252 /nfs/dbraw/zinc/14/92/52/461149252.db2.gz PCRDSLTWJJQCIJ-OAQYLSRUSA-N 2 0 335.495 3.039 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cc(F)cc3cccnc32)C1 ZINC000652363038 461158148 /nfs/dbraw/zinc/15/81/48/461158148.db2.gz VZYLBQCLAWGHLC-GUDVDZBRSA-N 2 0 343.446 3.235 10 0 EGAERP c1cc(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c2c(c1)C[NH2+]CC2 ZINC000662278609 461162248 /nfs/dbraw/zinc/16/22/48/461162248.db2.gz IBNRHZVSMCNDQG-UHFFFAOYSA-N 3 0 341.543 3.420 10 0 EGAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000662279531 461163469 /nfs/dbraw/zinc/16/34/69/461163469.db2.gz AAHZMUCANQRAHX-QZTJIDSGSA-N 2 0 338.492 3.136 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1 ZINC000662296084 461176568 /nfs/dbraw/zinc/17/65/68/461176568.db2.gz JZATVLDTVRILNE-MRXNPFEDSA-N 2 0 349.906 3.380 10 0 EGAERP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662299130 461177490 /nfs/dbraw/zinc/17/74/90/461177490.db2.gz ZUFNCVHHYDKYGV-MRXNPFEDSA-N 2 0 347.528 3.059 10 0 EGAERP COCCc1ccc(OC[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000668234899 461197553 /nfs/dbraw/zinc/19/75/53/461197553.db2.gz YNQYWUWOQOZRME-MRXNPFEDSA-N 2 0 339.439 3.080 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC[N@@H+]1C ZINC000630725732 461270109 /nfs/dbraw/zinc/27/01/09/461270109.db2.gz SNUGCGMEBVYAIY-RBUKOAKNSA-N 2 0 329.488 3.341 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)Nc1ccc([C@@H]2C[NH2+]CCO2)cc1 ZINC000662689183 461348122 /nfs/dbraw/zinc/34/81/22/461348122.db2.gz UOVSAMXPZBDBGK-IBGZPJMESA-N 2 0 347.503 3.188 10 0 EGAERP CC(C)[C@H](O)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668686920 461381698 /nfs/dbraw/zinc/38/16/98/461381698.db2.gz AMKQYQXXGRXPNC-SFTDATJTSA-N 2 0 339.483 3.398 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806188 461465840 /nfs/dbraw/zinc/46/58/40/461465840.db2.gz QULAJYGSMBKVEV-JMSVASOKSA-N 2 0 343.284 3.449 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631042009 461493176 /nfs/dbraw/zinc/49/31/76/461493176.db2.gz NRASVFSTUZLVRL-CQSZACIVSA-N 2 0 335.879 3.202 10 0 EGAERP COCCC[NH+]1CCC([NH2+]Cc2ccc(CC(F)(F)F)cc2)CC1 ZINC000631061129 461513460 /nfs/dbraw/zinc/51/34/60/461513460.db2.gz JLECGRPZXZXQML-UHFFFAOYSA-N 2 0 344.421 3.382 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631063961 461515654 /nfs/dbraw/zinc/51/56/54/461515654.db2.gz PJYPPSSLWGSSRV-HNNXBMFYSA-N 2 0 349.906 3.449 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3oc4ccccc4c3Cl)C2)CC1 ZINC000631070445 461521176 /nfs/dbraw/zinc/52/11/76/461521176.db2.gz YSFKDKJAOBPMAG-AWEZNQCLSA-N 2 0 347.890 3.344 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000655939483 461547540 /nfs/dbraw/zinc/54/75/40/461547540.db2.gz IASSVMUTRNRJIP-SPYBWZPUSA-N 2 0 338.442 3.116 10 0 EGAERP Cc1scc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1C ZINC000631173346 461611765 /nfs/dbraw/zinc/61/17/65/461611765.db2.gz QAKAUBCTHPYNGU-IBGZPJMESA-N 2 0 330.497 3.221 10 0 EGAERP c1ccc(COC2CC([NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000663466982 461656830 /nfs/dbraw/zinc/65/68/30/461656830.db2.gz YKKPXPYCXZBFDE-QNGMFEMESA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000663504183 461675815 /nfs/dbraw/zinc/67/58/15/461675815.db2.gz XONBRQIDNXFIKQ-GOSISDBHSA-N 2 0 341.902 3.407 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCO[C@H]1CC1(F)F ZINC000660271493 461677233 /nfs/dbraw/zinc/67/72/33/461677233.db2.gz YMFZLORNYLJLAX-CIRFHOKZSA-N 2 0 338.442 3.157 10 0 EGAERP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000643466201 461737107 /nfs/dbraw/zinc/73/71/07/461737107.db2.gz CWLGKAOEOJAGDI-KWXGJIJISA-N 2 0 332.492 3.305 10 0 EGAERP COc1cc2cc[nH+]c(N3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)c2cc1OC ZINC000663720417 461772666 /nfs/dbraw/zinc/77/26/66/461772666.db2.gz ILNPLLDWNMPLTQ-RDJZCZTQSA-N 2 0 341.455 3.173 10 0 EGAERP COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000666755333 461791056 /nfs/dbraw/zinc/79/10/56/461791056.db2.gz PZSAYCHBDRPUAU-CQSZACIVSA-N 2 0 336.439 3.395 10 0 EGAERP COc1cc(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)sn1 ZINC000660481582 461804234 /nfs/dbraw/zinc/80/42/34/461804234.db2.gz RQJBQVRYPXWIOG-CYBMUJFWSA-N 2 0 332.473 3.064 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639309765 461854069 /nfs/dbraw/zinc/85/40/69/461854069.db2.gz DVLLSOMIMFJGMM-XIGKFDRGSA-N 2 0 327.516 3.284 10 0 EGAERP c1ccc(N2CC[C@H](C[NH2+]CC3CC[NH+](CC4CC4)CC3)C2)cc1 ZINC000639335271 461867268 /nfs/dbraw/zinc/86/72/68/461867268.db2.gz OZDBEWJYCRFVMC-HXUWFJFHSA-N 2 0 327.516 3.225 10 0 EGAERP CC[N@@H+]1CC[C@H]2OCCN(C[C@@H]3CC[C@@H](c4ccccc4)C3)[C@H]2C1 ZINC000660639455 461896123 /nfs/dbraw/zinc/89/61/23/461896123.db2.gz GLBKBJQHTAIUME-AYWYSENESA-N 2 0 328.500 3.365 10 0 EGAERP CCCOc1c(Cl)cc(C[NH2+]CCC2(C[NH3+])CC2)cc1OC ZINC000650711734 461905126 /nfs/dbraw/zinc/90/51/26/461905126.db2.gz BTZPQAGPJHYTGJ-UHFFFAOYSA-N 2 0 326.868 3.356 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](CCOC)Cc1cccc(F)c1 ZINC000650719590 461911272 /nfs/dbraw/zinc/91/12/72/461911272.db2.gz VJTQJGPYFAXGEE-FQEVSTJZSA-N 2 0 330.447 3.283 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1ccccc1C ZINC000650719645 461911799 /nfs/dbraw/zinc/91/17/99/461911799.db2.gz XIHMFDWEIISFRS-INIZCTEOSA-N 2 0 325.456 3.221 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000650724079 461916129 /nfs/dbraw/zinc/91/61/29/461916129.db2.gz YBUYNMXRXPUXHK-OIISXLGYSA-N 2 0 335.517 3.271 10 0 EGAERP CC(C)C(=O)Nc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657294586 462023802 /nfs/dbraw/zinc/02/38/02/462023802.db2.gz BBFOEAQMFKBDKF-UHFFFAOYSA-N 2 0 349.438 3.152 10 0 EGAERP CC[NH+](CC)[C@H](CNCc1ccnn1-c1cc[nH+]cc1)CC(C)C ZINC000657303440 462029357 /nfs/dbraw/zinc/02/93/57/462029357.db2.gz OVGCBAFZBAJZBE-IBGZPJMESA-N 2 0 329.492 3.113 10 0 EGAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657357378 462068072 /nfs/dbraw/zinc/06/80/72/462068072.db2.gz NAPRXCUSTVXRHE-QGZVFWFLSA-N 2 0 341.503 3.258 10 0 EGAERP COc1cc(F)cc(C[C@@H](C)[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657486502 462152778 /nfs/dbraw/zinc/15/27/78/462152778.db2.gz CNPNZUVQQVANQV-CQSZACIVSA-N 2 0 340.402 3.136 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]CCc2noc3ccccc23)cc1 ZINC000657532912 462168987 /nfs/dbraw/zinc/16/89/87/462168987.db2.gz AXOAQLLOPQODTL-UHFFFAOYSA-N 2 0 339.439 3.101 10 0 EGAERP c1sc(C2CC2)nc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535580 462171154 /nfs/dbraw/zinc/17/11/54/462171154.db2.gz PDZOCYBVIPXMCV-UHFFFAOYSA-N 2 0 335.517 3.001 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)c(Cl)c3)cc2)C1 ZINC000657595389 462196147 /nfs/dbraw/zinc/19/61/47/462196147.db2.gz HUZOUNYLTMGYOZ-KRWDZBQOSA-N 2 0 348.849 3.336 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4cnccc43)cc2)C1 ZINC000657595645 462197023 /nfs/dbraw/zinc/19/70/23/462197023.db2.gz JBQJGBLEHIXICC-NRFANRHFSA-N 2 0 347.462 3.091 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H](C)O1 ZINC000657773401 462261791 /nfs/dbraw/zinc/26/17/91/462261791.db2.gz RHVIWQPYXGZRBU-UMGGQSCQSA-N 2 0 328.500 3.444 10 0 EGAERP c1cn(-c2csc(C[NH2+]CC3CC[NH+](CC4CC4)CC3)c2)cn1 ZINC000657813662 462280266 /nfs/dbraw/zinc/28/02/66/462280266.db2.gz WRGUYFGEOZUWOJ-UHFFFAOYSA-N 2 0 330.501 3.145 10 0 EGAERP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000658036981 462353692 /nfs/dbraw/zinc/35/36/92/462353692.db2.gz SSAQXLRMMMCXNT-AABGKKOBSA-N 2 0 342.527 3.428 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)COc1c(F)cccc1F ZINC000665261787 462376090 /nfs/dbraw/zinc/37/60/90/462376090.db2.gz LHTLMCJTEGOMNL-VXGBXAGGSA-N 2 0 335.398 3.245 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665276358 462379681 /nfs/dbraw/zinc/37/96/81/462379681.db2.gz AWJMYDCZLPOMBG-SLFFLAALSA-N 3 0 327.516 3.006 10 0 EGAERP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CCC[NH3+])COC ZINC000665283326 462383596 /nfs/dbraw/zinc/38/35/96/462383596.db2.gz LORQGFZZBHTTRK-HOTGVXAUSA-N 2 0 343.309 3.114 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2(CCC2)CO1 ZINC000651975579 462398106 /nfs/dbraw/zinc/39/81/06/462398106.db2.gz HLEZNQDAXRFLJV-GOSISDBHSA-N 2 0 344.499 3.305 10 0 EGAERP C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138771 462402125 /nfs/dbraw/zinc/40/21/25/462402125.db2.gz NXCVXEZJQRCAJR-UZLBHIALSA-N 2 0 344.524 3.426 10 0 EGAERP CC(C)[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138791 462402529 /nfs/dbraw/zinc/40/25/29/462402529.db2.gz OFASBYYHRNACEZ-SFTDATJTSA-N 2 0 339.483 3.135 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@H](C)C1 ZINC000658192167 462424646 /nfs/dbraw/zinc/42/46/46/462424646.db2.gz ZIHQUPZJOJRLKI-VURPSTOHSA-N 2 0 346.515 3.323 10 0 EGAERP C[C@@H](C[NH2+][C@@H](c1cccnc1)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000652149067 462451071 /nfs/dbraw/zinc/45/10/71/462451071.db2.gz QJFMSKICACWACT-GHTZIAJQSA-N 2 0 344.547 3.176 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCCNc2ccc(C(F)(F)F)cn2)CC1(C)C ZINC000623355411 480246728 /nfs/dbraw/zinc/24/67/28/480246728.db2.gz MGVHXZVFILJCBB-CQSZACIVSA-N 2 0 344.425 3.365 10 0 EGAERP CN(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000185186110 547115908 /nfs/dbraw/zinc/11/59/08/547115908.db2.gz ZBFTWPJBPZZVGE-UHFFFAOYSA-N 2 0 333.495 3.065 10 0 EGAERP c1ccc(C[NH+]2CCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000339068276 547569203 /nfs/dbraw/zinc/56/92/03/547569203.db2.gz NZPPWCQKUNNNSY-PWRODBHTSA-N 2 0 327.516 3.258 10 0 EGAERP OC1CCC(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000390927201 547829052 /nfs/dbraw/zinc/82/90/52/547829052.db2.gz JNMWDGUPRIQBLE-PPFXLOHNSA-N 2 0 328.500 3.323 10 0 EGAERP Cc1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000675744341 548972404 /nfs/dbraw/zinc/97/24/04/548972404.db2.gz QHHSDFKKTRCMFD-MAUKXSAKSA-N 2 0 329.513 3.494 10 0 EGAERP C[C@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921547 549004792 /nfs/dbraw/zinc/00/47/92/549004792.db2.gz YRISKKWZEPEUFP-LPHOPBHVSA-N 2 0 326.488 3.024 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000679988623 549801690 /nfs/dbraw/zinc/80/16/90/549801690.db2.gz CBTAOMYAOWLCQI-LJQANCHMSA-N 2 0 327.472 3.168 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C ZINC000681303073 549980065 /nfs/dbraw/zinc/98/00/65/549980065.db2.gz YHYSOIPYEZIPLY-ZWKOTPCHSA-N 2 0 345.531 3.276 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409243 550326336 /nfs/dbraw/zinc/32/63/36/550326336.db2.gz LRXYGJMZJLOPQL-SFTDATJTSA-N 2 0 335.495 3.377 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000685839866 550446579 /nfs/dbraw/zinc/44/65/79/550446579.db2.gz JRBMWYVFRWJMGK-UHFFFAOYSA-N 2 0 331.548 3.142 10 0 EGAERP COCc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)o1 ZINC000382489171 576253648 /nfs/dbraw/zinc/25/36/48/576253648.db2.gz MJPOZJWEHKXZIS-JRGCBEDISA-N 2 0 340.467 3.426 10 0 EGAERP C[NH+](C)Cc1ccc(C[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)cc1 ZINC000114770754 1293177373 /nfs/dbraw/zinc/17/73/73/1293177373.db2.gz RDGTYUURDIKMIR-SFHVURJKSA-N 2 0 347.503 3.237 10 0 EGAERP C[NH2+]CC1CC[NH+]([C@H](C)Cc2ccc(Br)cc2)CC1 ZINC000234353742 1296180816 /nfs/dbraw/zinc/18/08/16/1296180816.db2.gz JSEZBBOBJNOYBU-CYBMUJFWSA-N 2 0 325.294 3.312 10 0 EGAERP O=C1OCC[C@@H]1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000872114818 1296740502 /nfs/dbraw/zinc/74/05/02/1296740502.db2.gz YGPBXJMEANSPDV-LWYYNNOASA-N 2 0 342.483 3.115 10 0 EGAERP COc1ccc([C@H](C[NH3+])CN2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC000872146112 1296766806 /nfs/dbraw/zinc/76/68/06/1296766806.db2.gz FZWKIAXXMZFTSO-LJQANCHMSA-N 2 0 345.531 3.078 10 0 EGAERP C[N@H+](Cc1ccccc1C[NH2+]C[C@@H](O)CC(C)(C)O)C1CCCCC1 ZINC000872198792 1296811182 /nfs/dbraw/zinc/81/11/82/1296811182.db2.gz BQGMCLGBEBTDKK-FQEVSTJZSA-N 2 0 348.531 3.063 10 0 EGAERP C[C@@H]1C[C@@H](N2CCC[C@]3(CCC[NH2+]C3)C2)C[N@@H+]1Cc1ccccc1 ZINC000310185139 1297092425 /nfs/dbraw/zinc/09/24/25/1297092425.db2.gz VTSBECGVIPHYJD-NRSPTQNISA-N 2 0 327.516 3.115 10 0 EGAERP COC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000310966956 1297103019 /nfs/dbraw/zinc/10/30/19/1297103019.db2.gz CNKPTTFKQMAAGG-ZCNNSNEGSA-N 2 0 344.499 3.220 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)N(C(=O)OC(C)(C)C)C2 ZINC000707910362 1298231586 /nfs/dbraw/zinc/23/15/86/1298231586.db2.gz OCQFHXBUVISNAG-ULQDDVLXSA-N 2 0 339.524 3.096 10 0 EGAERP C[NH+](C)C1CCC([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000715563627 1298281263 /nfs/dbraw/zinc/28/12/63/1298281263.db2.gz XCDVMSZLQGSIGR-OFLPRAFFSA-N 2 0 339.524 3.238 10 0 EGAERP C[C@@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715561935 1298282211 /nfs/dbraw/zinc/28/22/11/1298282211.db2.gz MCENLXLVQSLKEI-VXLLPVPCSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@H]1C[C@@H](C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000882950882 1302179532 /nfs/dbraw/zinc/17/95/32/1302179532.db2.gz DYUDNNXGRCPZHS-WMZOPIPTSA-N 2 0 329.488 3.341 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1CCC2(COC2)CC1 ZINC000883391336 1302428080 /nfs/dbraw/zinc/42/80/80/1302428080.db2.gz IHTGAVVNQOPSMS-UHFFFAOYSA-N 2 0 344.499 3.210 10 0 EGAERP COC(=O)c1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)[nH]c1C(C)C ZINC000894356783 1306358030 /nfs/dbraw/zinc/35/80/30/1306358030.db2.gz NDFKUMPXKNRTRL-UHFFFAOYSA-N 2 0 335.492 3.135 10 0 EGAERP CC(C)C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000896296020 1309792250 /nfs/dbraw/zinc/79/22/50/1309792250.db2.gz VVIPENWGKNXCMY-QWFCFKBJSA-N 2 0 345.531 3.210 10 0 EGAERP C[NH+](C)C[C@@H]1CCN(C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000929637624 1328653832 /nfs/dbraw/zinc/65/38/32/1328653832.db2.gz LQYJOOSUKRPYIK-JLJPHGGASA-N 2 0 342.405 3.052 10 0 EGAERP c1cn(CCC[N@@H+]2CCC[C@H](Oc3ccc(C4CC4)cn3)C2)cn1 ZINC000858028651 1328665122 /nfs/dbraw/zinc/66/51/22/1328665122.db2.gz MOLZZGZXJABCNI-SFHVURJKSA-N 2 0 326.444 3.089 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1CNCc1ccnc(F)c1 ZINC000858099449 1328681715 /nfs/dbraw/zinc/68/17/15/1328681715.db2.gz NLEDJZDDFKRENF-UHFFFAOYSA-N 2 0 331.435 3.231 10 0 EGAERP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858169707 1328702115 /nfs/dbraw/zinc/70/21/15/1328702115.db2.gz AWBAYBLZUXXVNE-HUUCEWRRSA-N 2 0 327.513 3.142 10 0 EGAERP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1c(C)cccc1C ZINC000923313666 1322731371 /nfs/dbraw/zinc/73/13/71/1322731371.db2.gz JHXZEKWCRKVMSW-YQQQUEKLSA-N 2 0 343.515 3.485 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@H]1C[NH3+] ZINC000923499392 1322762213 /nfs/dbraw/zinc/76/22/13/1322762213.db2.gz KHFYQRGUQSXJPT-AEFFLSMTSA-N 2 0 325.456 3.077 10 0 EGAERP [NH3+]CCCCCCC[N@@H+]1CCOC[C@H]1C[C@@H]1CNc2ccccc21 ZINC000923548361 1322773668 /nfs/dbraw/zinc/77/36/68/1322773668.db2.gz AJPIFHOKLIVAKJ-QZTJIDSGSA-N 2 0 331.504 3.196 10 0 EGAERP [NH3+]CCCCCCC[N@@H+]1CCOC[C@@H]1C[C@@H]1CNc2ccccc21 ZINC000923548360 1322773859 /nfs/dbraw/zinc/77/38/59/1322773859.db2.gz AJPIFHOKLIVAKJ-MSOLQXFVSA-N 2 0 331.504 3.196 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+]C2[C@@H](C)COC[C@@H]2C)cc1 ZINC000924691600 1323114508 /nfs/dbraw/zinc/11/45/08/1323114508.db2.gz FQKTWMCTPMSXTH-IRXDYDNUSA-N 2 0 334.504 3.168 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+]C3[C@@H](C)COC[C@@H]3C)CC2)cc1 ZINC000924858254 1323188996 /nfs/dbraw/zinc/18/89/96/1323188996.db2.gz ZGZGBMCNHUQLPS-IRXDYDNUSA-N 2 0 346.515 3.168 10 0 EGAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938362 1323221227 /nfs/dbraw/zinc/22/12/27/1323221227.db2.gz KYBNENUFXDWPSD-HBMCJLEFSA-N 2 0 332.532 3.470 10 0 EGAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938363 1323221814 /nfs/dbraw/zinc/22/18/14/1323221814.db2.gz KYBNENUFXDWPSD-NJDAHSKKSA-N 2 0 332.532 3.470 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966899 1323232620 /nfs/dbraw/zinc/23/26/20/1323232620.db2.gz RBCBPXUXTYTYSG-SFHVURJKSA-N 2 0 349.588 3.347 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925131767 1325057543 /nfs/dbraw/zinc/05/75/43/1325057543.db2.gz DHQDYNREMCQCDA-LJQANCHMSA-N 2 0 344.455 3.153 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000925241887 1325093038 /nfs/dbraw/zinc/09/30/38/1325093038.db2.gz TXEOFVCSZLSOGM-CZUORRHYSA-N 2 0 325.884 3.059 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C[C@H](C)O1 ZINC000925441276 1325151553 /nfs/dbraw/zinc/15/15/53/1325151553.db2.gz YZZKSLOIQDNUST-RCLSDMTESA-N 2 0 345.531 3.272 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000925491539 1325173585 /nfs/dbraw/zinc/17/35/85/1325173585.db2.gz JTKQVDYVDOPJEX-VAMGGRTRSA-N 2 0 329.532 3.047 10 0 EGAERP C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495056 1325177115 /nfs/dbraw/zinc/17/71/15/1325177115.db2.gz XBFYQRFBBPXEOJ-MNEFBYGVSA-N 2 0 347.572 3.253 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498752 1325178372 /nfs/dbraw/zinc/17/83/72/1325178372.db2.gz SDOABQSPEGNXTP-GJZGRUSLSA-N 2 0 335.289 3.340 10 0 EGAERP CN(C)c1ccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518211 1325186477 /nfs/dbraw/zinc/18/64/77/1325186477.db2.gz QEHFGABXSUFSOB-FUHWJXTLSA-N 2 0 344.547 3.217 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533168 1325194557 /nfs/dbraw/zinc/19/45/57/1325194557.db2.gz KKZZAOQZQYHDKM-ZWKOTPCHSA-N 2 0 331.504 3.164 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925535229 1325196100 /nfs/dbraw/zinc/19/61/00/1325196100.db2.gz UAIIPKROCVVTLY-WBVHZDCISA-N 2 0 331.504 3.160 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533985 1325196490 /nfs/dbraw/zinc/19/64/90/1325196490.db2.gz HUYOEOAJXNPRRU-HUUCEWRRSA-N 2 0 336.476 3.098 10 0 EGAERP Cc1ccc([C@@H](CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)[NH+]2CCCC2)o1 ZINC000925559266 1325208133 /nfs/dbraw/zinc/20/81/33/1325208133.db2.gz SKUMAKYRSJSBRP-ZAWLATJESA-N 2 0 331.504 3.091 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C12CCC2 ZINC000925623885 1325234039 /nfs/dbraw/zinc/23/40/39/1325234039.db2.gz VHXPQETUJHNIKD-HUUCEWRRSA-N 2 0 328.378 3.125 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000925632013 1325239121 /nfs/dbraw/zinc/23/91/21/1325239121.db2.gz NJIDWHHDEZHBKP-RBUKOAKNSA-N 2 0 334.504 3.106 10 0 EGAERP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925637497 1325242653 /nfs/dbraw/zinc/24/26/53/1325242653.db2.gz MNEVDJQOEMUMLQ-DLBZAZTESA-N 2 0 345.531 3.134 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1sccc1Br ZINC000925763737 1325290245 /nfs/dbraw/zinc/29/02/45/1325290245.db2.gz UHDOXYPKVKTVRK-QLHKPRNWSA-N 2 0 329.307 3.159 10 0 EGAERP C[C@@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779376 1325297832 /nfs/dbraw/zinc/29/78/32/1325297832.db2.gz YCGPUDXWGDIGEK-AAEUAGOBSA-N 2 0 336.348 3.471 10 0 EGAERP c1cc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804977 1325307087 /nfs/dbraw/zinc/30/70/87/1325307087.db2.gz OQLMGGLWARZZBP-RTWAWAEBSA-N 2 0 338.499 3.173 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1F ZINC000925807618 1325310131 /nfs/dbraw/zinc/31/01/31/1325310131.db2.gz GGIXNERBEYJUIB-MRXNPFEDSA-N 2 0 327.447 3.082 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925816272 1325314869 /nfs/dbraw/zinc/31/48/69/1325314869.db2.gz XPDOXFBRHGGEFC-RTWAWAEBSA-N 2 0 345.531 3.123 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925833261 1325321467 /nfs/dbraw/zinc/32/14/67/1325321467.db2.gz ZPNYXMKDSNYQKQ-UKMLZYKCSA-N 2 0 330.394 3.035 10 0 EGAERP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925840102 1325323728 /nfs/dbraw/zinc/32/37/28/1325323728.db2.gz KPAFHXZMPBHNCY-KCUHQSDYSA-N 2 0 332.463 3.415 10 0 EGAERP Fc1ccc2c(c1)[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)CCS2 ZINC000925844207 1325324841 /nfs/dbraw/zinc/32/48/41/1325324841.db2.gz IZYKESQYOLABOQ-KRWDZBQOSA-N 2 0 337.508 3.028 10 0 EGAERP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925847009 1325328017 /nfs/dbraw/zinc/32/80/17/1325328017.db2.gz ZFJYNFITJHAEPY-UXHICEINSA-N 2 0 333.495 3.127 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876750 1325339629 /nfs/dbraw/zinc/33/96/29/1325339629.db2.gz HINYUIZEMOZHIF-UPJWGTAASA-N 2 0 343.393 3.140 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]CCc1cccc2c1OCCO2)c1ccccc1 ZINC000925875750 1325340168 /nfs/dbraw/zinc/34/01/68/1325340168.db2.gz VXOVLJDZGVTGGF-GOSISDBHSA-N 2 0 326.440 3.070 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000925875844 1325340176 /nfs/dbraw/zinc/34/01/76/1325340176.db2.gz NYOGPGUGMOPTSJ-LNSITVRQSA-N 2 0 339.277 3.380 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c(C)c1OC ZINC000925880690 1325341013 /nfs/dbraw/zinc/34/10/13/1325341013.db2.gz NJQPFOJVDYQROZ-FGTMMUONSA-N 2 0 332.488 3.413 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2c(Br)ccc3F)C1 ZINC000925883091 1325342110 /nfs/dbraw/zinc/34/21/10/1325342110.db2.gz ULMQIQKQXNYECB-IMSIIYSGSA-N 2 0 327.241 3.293 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000925883079 1325342631 /nfs/dbraw/zinc/34/26/31/1325342631.db2.gz UECYNNFNONGBLO-SRHPJPHMSA-N 3 0 327.516 3.004 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCC3(CCOCC3)CC2)C1 ZINC000925887896 1325344038 /nfs/dbraw/zinc/34/40/38/1325344038.db2.gz OOXNZKRDMMCTDK-TYKWCNGQSA-N 2 0 328.500 3.375 10 0 EGAERP CNC(=O)C[C@@H]([NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926347300 1325523283 /nfs/dbraw/zinc/52/32/83/1325523283.db2.gz YPXPJDGOWATPIE-OXJNMPFZSA-N 2 0 339.483 3.276 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC(C)([NH+](C)C)CC2)n(C)n1 ZINC000926794664 1327720238 /nfs/dbraw/zinc/72/02/38/1327720238.db2.gz AJGQBFDNLIKCBX-AILXTGBUSA-N 2 0 332.536 3.292 10 0 EGAERP C[C@H]([NH2+]Cc1ccnc(-c2ccccn2)n1)c1cccc(C[NH+](C)C)c1 ZINC000926851587 1327740491 /nfs/dbraw/zinc/74/04/91/1327740491.db2.gz UMYDQXBVPOQKNH-INIZCTEOSA-N 2 0 347.466 3.451 10 0 EGAERP C[C@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926868593 1327746921 /nfs/dbraw/zinc/74/69/21/1327746921.db2.gz JSGXLHCPFWKFFF-MGPUTAFESA-N 2 0 330.447 3.142 10 0 EGAERP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000927067759 1327839383 /nfs/dbraw/zinc/83/93/83/1327839383.db2.gz FFHJLLNNOPCEHU-LDQXTDLNSA-N 2 0 346.515 3.483 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000863556799 1329562922 /nfs/dbraw/zinc/56/29/22/1329562922.db2.gz HSHJVCYODWVOHU-BLKABHOGSA-N 2 0 336.479 3.473 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2nccc(C)c2Br)CC1 ZINC000865450518 1329699220 /nfs/dbraw/zinc/69/92/20/1329699220.db2.gz CNKBUTMBQZQBPG-UHFFFAOYSA-N 2 0 340.309 3.364 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000865713793 1329731656 /nfs/dbraw/zinc/73/16/56/1329731656.db2.gz WMZMVHIKJVYSIH-BZUAXINKSA-N 2 0 339.524 3.285 10 0 EGAERP c1c(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)nn2c1CCC2 ZINC000865717405 1329732315 /nfs/dbraw/zinc/73/23/15/1329732315.db2.gz BUTNRAPFDYHWDP-UHFFFAOYSA-N 2 0 338.499 3.221 10 0 EGAERP C[NH+](C)C[C@@H]1CN(c2ccnc3cc(Cl)ccc32)C[C@H]1C[NH+](C)C ZINC000866012480 1329759041 /nfs/dbraw/zinc/75/90/41/1329759041.db2.gz DSDKBHGIQYTWHU-HUUCEWRRSA-N 2 0 346.906 3.064 10 0 EGAERP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000866238168 1330082892 /nfs/dbraw/zinc/08/28/92/1330082892.db2.gz NIIGYQPBOZKAHE-KRWDZBQOSA-N 2 0 327.472 3.133 10 0 EGAERP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CN2CCC[C@@H]2CO1 ZINC000866260940 1330086633 /nfs/dbraw/zinc/08/66/33/1330086633.db2.gz PZQUCYMYLQLGDX-AHRSYUTCSA-N 2 0 339.483 3.009 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@@H]2[C@H]4C[C@H]5CO[C@H]2[C@H]5C4)C3)cc1 ZINC000866444393 1330113137 /nfs/dbraw/zinc/11/31/37/1330113137.db2.gz GWMQAJBXAVQJBU-WMBYOPBMSA-N 2 0 338.495 3.195 10 0 EGAERP C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866511905 1330120235 /nfs/dbraw/zinc/12/02/35/1330120235.db2.gz YBYLQADNASUOFK-LDQXTDLNSA-N 2 0 346.515 3.483 10 0 EGAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000866515947 1330120786 /nfs/dbraw/zinc/12/07/86/1330120786.db2.gz OMEPPHNNLSUSSO-XRTORIHISA-N 2 0 347.503 3.265 10 0 EGAERP COc1ccc([C@H](C[NH3+])CN2c3ccccc3[C@@H]([NH3+])C2(C)C)cc1 ZINC000866701650 1330142453 /nfs/dbraw/zinc/14/24/53/1330142453.db2.gz LUTSDOUODFAOCS-DNVCBOLYSA-N 2 0 325.456 3.036 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)c1ccc(F)cc1)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866703588 1330142632 /nfs/dbraw/zinc/14/26/32/1330142632.db2.gz KFWJXEZYBCVPCG-BXTJHSDWSA-N 2 0 349.494 3.088 10 0 EGAERP C[C@H]1CCC[N@H+](CCCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868188471 1330260587 /nfs/dbraw/zinc/26/05/87/1330260587.db2.gz WSRZPDNHJWKXAS-ZYSHUDEJSA-N 2 0 344.503 3.135 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CN2C[C@@H](c3ccccc3)CC2=O)CC1 ZINC001322962109 1387256792 /nfs/dbraw/zinc/25/67/92/1387256792.db2.gz PAAUATCIAUCQST-FQEVSTJZSA-N 2 0 343.515 3.014 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)C ZINC001323161867 1387305076 /nfs/dbraw/zinc/30/50/76/1387305076.db2.gz QBYDQOSTOYNTKN-QZTJIDSGSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001323471885 1387374077 /nfs/dbraw/zinc/37/40/77/1387374077.db2.gz HDIFNVFSXRDYIY-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323813686 1387466086 /nfs/dbraw/zinc/46/60/86/1387466086.db2.gz SMMWROFZNRWDCY-NQIIRXRSSA-N 2 0 343.515 3.014 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001323814125 1387466294 /nfs/dbraw/zinc/46/62/94/1387466294.db2.gz XHNRKDLXWABJEO-CTNGQTDRSA-N 2 0 349.563 3.366 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001324090957 1387538054 /nfs/dbraw/zinc/53/80/54/1387538054.db2.gz SBYWRAGLBYFFJR-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001324181087 1387551926 /nfs/dbraw/zinc/55/19/26/1387551926.db2.gz NTABVXWRQSNAID-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP O=C(N[C@H](C[NH2+]CC1CC1)C1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001324484360 1387642438 /nfs/dbraw/zinc/64/24/38/1387642438.db2.gz WWOVRUKPLMHJHD-WOJBJXKFSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001324533573 1387660585 /nfs/dbraw/zinc/66/05/85/1387660585.db2.gz SDHYVHWSKZVILA-CEXWTWQISA-N 2 0 349.563 3.362 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@](C)(NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001324671704 1387728530 /nfs/dbraw/zinc/72/85/30/1387728530.db2.gz HALCNHNGHYAUJC-GZNCHQMQSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001324886389 1387806402 /nfs/dbraw/zinc/80/64/02/1387806402.db2.gz JLBHGIPUBTYZEN-QGZVFWFLSA-N 2 0 339.568 3.227 10 0 EGAERP CC1(C)CCC[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)O1 ZINC001192480423 1367793476 /nfs/dbraw/zinc/79/34/76/1367793476.db2.gz AOVQNGBQAXDOGL-LJQANCHMSA-N 2 0 338.536 3.159 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC001325919791 1388084531 /nfs/dbraw/zinc/08/45/31/1388084531.db2.gz IWHCDVKTAHFTML-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)n2)C[C@@H]([NH3+])C1 ZINC001119699462 1371389661 /nfs/dbraw/zinc/38/96/61/1371389661.db2.gz QMCRRONIJPPNLM-YPMHNXCESA-N 2 0 331.382 3.018 10 0 EGAERP COc1cccc(N2CCC([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)c1 ZINC001119699180 1371389695 /nfs/dbraw/zinc/38/96/95/1371389695.db2.gz KTODEAOSYAXDKX-DOTOQJQBSA-N 2 0 331.504 3.160 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001326912938 1388348369 /nfs/dbraw/zinc/34/83/69/1388348369.db2.gz DSTJBMZJYFDAAS-WIJVFFIESA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265736213 1377164415 /nfs/dbraw/zinc/16/44/15/1377164415.db2.gz LFDGJGIVMRZKIM-YRHSSTEGSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001266110759 1377189788 /nfs/dbraw/zinc/18/97/88/1377189788.db2.gz OMOHZRAQNGPILA-MSOLQXFVSA-N 2 0 339.568 3.466 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246027 1377243889 /nfs/dbraw/zinc/24/38/89/1377243889.db2.gz JQELLUBXVLEERB-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001327299104 1388489126 /nfs/dbraw/zinc/48/91/26/1388489126.db2.gz KRSVVOFWTUKTQV-YSIASYRMSA-N 2 0 349.563 3.218 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001266501855 1377323606 /nfs/dbraw/zinc/32/36/06/1377323606.db2.gz MJFVHVXLXSPQRH-PYSGZSLQSA-N 2 0 347.547 3.284 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001267089938 1377411820 /nfs/dbraw/zinc/41/18/20/1377411820.db2.gz GWNHRCNJIDBRNV-RBUKOAKNSA-N 2 0 335.536 3.236 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001267180371 1377425556 /nfs/dbraw/zinc/42/55/56/1377425556.db2.gz ZJFVLPDTBUOLOQ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267603912 1377463399 /nfs/dbraw/zinc/46/33/99/1377463399.db2.gz HFECOZAQTCUYAT-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001267923655 1377477484 /nfs/dbraw/zinc/47/74/84/1377477484.db2.gz AFTMRDGYUIQNMI-GUDVDZBRSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001268045014 1377483553 /nfs/dbraw/zinc/48/35/53/1377483553.db2.gz FPZOXUSRFGBKBN-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001268194511 1377491580 /nfs/dbraw/zinc/49/15/80/1377491580.db2.gz YSZISAKCGWSZSF-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001268590264 1377513704 /nfs/dbraw/zinc/51/37/04/1377513704.db2.gz DODRTYGWOSOXMI-VOTSOKGWSA-N 2 0 337.552 3.053 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001269544681 1377557907 /nfs/dbraw/zinc/55/79/07/1377557907.db2.gz OMBIWLNWNZLDDK-QGZVFWFLSA-N 2 0 345.531 3.450 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCCC3)C2)CC[N@@H+]1C ZINC001269737194 1377567981 /nfs/dbraw/zinc/56/79/81/1377567981.db2.gz INJDPQQCAYAHPY-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001271585443 1377641240 /nfs/dbraw/zinc/64/12/40/1377641240.db2.gz OHFZZFOYAPSJFC-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001271671888 1377646137 /nfs/dbraw/zinc/64/61/37/1377646137.db2.gz BINMIENQWNHLQO-XLIONFOSSA-N 2 0 343.515 3.012 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C/C=C\CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001274414209 1378124411 /nfs/dbraw/zinc/12/44/11/1378124411.db2.gz RLHNMRVKKWWNCQ-QVOQXLMASA-N 2 0 349.563 3.197 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccc(C)cc1)[NH+](C)C ZINC001276313157 1378171074 /nfs/dbraw/zinc/17/10/74/1378171074.db2.gz YUKIVFHHONTRHX-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001327492642 1388535222 /nfs/dbraw/zinc/53/52/22/1388535222.db2.gz MBZBZWXMPJKDNR-IAGOWNOFSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001327493623 1388535853 /nfs/dbraw/zinc/53/58/53/1388535853.db2.gz RRPPYXMCICKLMO-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001279592316 1378316217 /nfs/dbraw/zinc/31/62/17/1378316217.db2.gz WNNIZXHCXZZSNW-QGZVFWFLSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001327530367 1388551454 /nfs/dbraw/zinc/55/14/54/1388551454.db2.gz PAVIPFBZSNRDFR-FQEVSTJZSA-N 2 0 337.552 3.223 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001282167565 1378482779 /nfs/dbraw/zinc/48/27/79/1378482779.db2.gz MDQSRSDJEWZTEE-ZWKOTPCHSA-N 2 0 345.531 3.161 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001282678609 1378552225 /nfs/dbraw/zinc/55/22/25/1378552225.db2.gz WZKVCYMJJFOQTI-DPZZJQGRSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001283052274 1378718148 /nfs/dbraw/zinc/71/81/48/1378718148.db2.gz NLHGBJCASGTLQF-SOAMZJECSA-N 2 0 345.531 3.189 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248732 1378771108 /nfs/dbraw/zinc/77/11/08/1378771108.db2.gz OLZMKPVOHIFLNT-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001283270552 1378779063 /nfs/dbraw/zinc/77/90/63/1378779063.db2.gz CWTMGRCQVQTMJX-NQIIRXRSSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccccc1 ZINC001283432863 1378923395 /nfs/dbraw/zinc/92/33/95/1378923395.db2.gz AJWMVOKERFBQKQ-KZNAEPCWSA-N 2 0 340.471 3.149 10 0 EGAERP CC(C)[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001283456970 1378954463 /nfs/dbraw/zinc/95/44/63/1378954463.db2.gz LIYHJXWOACQWLD-RTBURBONSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc2c(c1)C[NH+](CC1CCCC1)C2 ZINC001327695504 1388585801 /nfs/dbraw/zinc/58/58/01/1388585801.db2.gz IEKYFPNIZXSQGJ-UHFFFAOYSA-N 2 0 343.515 3.149 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001283939505 1379288875 /nfs/dbraw/zinc/28/88/75/1379288875.db2.gz MNJPWPXQSDJKSD-VQIMIIECSA-N 2 0 349.494 3.081 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001284066232 1379422156 /nfs/dbraw/zinc/42/21/56/1379422156.db2.gz FUWDFMVCEZNRMS-LJQWKTEUSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001284066389 1379423323 /nfs/dbraw/zinc/42/33/23/1379423323.db2.gz GJTLXFWHZREIHX-PZJWPPBQSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2)[NH+](CC)CC ZINC001284069426 1379429792 /nfs/dbraw/zinc/42/97/92/1379429792.db2.gz QHSOBLJGHMJUAW-GGPKGHCWSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)Cc2ccccc2)C(C)C)CC[N@@H+]1C ZINC001284533976 1379940556 /nfs/dbraw/zinc/94/05/56/1379940556.db2.gz UPTOKKKOBVQROX-VQTJNVASSA-N 2 0 345.531 3.086 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001284684046 1380094057 /nfs/dbraw/zinc/09/40/57/1380094057.db2.gz KCPAUSPQASYQTF-PVTFFILZSA-N 2 0 349.563 3.432 10 0 EGAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001284780257 1380203071 /nfs/dbraw/zinc/20/30/71/1380203071.db2.gz OADZPBZFERDICB-ACBHZAAOSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001328081026 1388664095 /nfs/dbraw/zinc/66/40/95/1388664095.db2.gz HWESLPVUYQACGQ-KSZLIROESA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001328084589 1388667119 /nfs/dbraw/zinc/66/71/19/1388667119.db2.gz YZTKTUSRXNWYPE-JTHGQSKGSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1cccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001328113223 1388676795 /nfs/dbraw/zinc/67/67/95/1388676795.db2.gz MBRQXBDUHTVZAB-IBGZPJMESA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001328266331 1388704385 /nfs/dbraw/zinc/70/43/85/1388704385.db2.gz IQRWWQKHSUNKJT-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](CCCC1CCC1)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001328588586 1388784503 /nfs/dbraw/zinc/78/45/03/1388784503.db2.gz GTJHMAVHTYCNAN-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CO[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)C1CCC1 ZINC001308087589 1384088992 /nfs/dbraw/zinc/08/89/92/1384088992.db2.gz ZCQHFOQMSRASMG-QHAWAJNXSA-N 2 0 328.500 3.255 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316630409 1384493958 /nfs/dbraw/zinc/49/39/58/1384493958.db2.gz XFBDAIAIEJAVCU-GUDVDZBRSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316671328 1384514187 /nfs/dbraw/zinc/51/41/87/1384514187.db2.gz RKACSARVHOMRAF-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](C/C=C\c2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001316739424 1384554619 /nfs/dbraw/zinc/55/46/19/1384554619.db2.gz VGOZVUITPREQBW-QCMGWVIVSA-N 2 0 343.515 3.009 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316774256 1384572809 /nfs/dbraw/zinc/57/28/09/1384572809.db2.gz QAXAPVBOPOGWCT-KKHYBRAUSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001316806419 1384598475 /nfs/dbraw/zinc/59/84/75/1384598475.db2.gz NRAGLYZBXPEGKF-KRWDZBQOSA-N 2 0 349.519 3.458 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316810818 1384607284 /nfs/dbraw/zinc/60/72/84/1384607284.db2.gz JAERCTXQMWCAHX-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CC1(C)C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CC2CC2)C1 ZINC001316812147 1384611535 /nfs/dbraw/zinc/61/15/35/1384611535.db2.gz RQJNEWMTXMAXML-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877691 1384661995 /nfs/dbraw/zinc/66/19/95/1384661995.db2.gz FYMVUDRUMOELAE-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[NH+]1CCCCC1 ZINC001171861493 1384663510 /nfs/dbraw/zinc/66/35/10/1384663510.db2.gz ODFMRGOACYLRKM-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001316883238 1384667475 /nfs/dbraw/zinc/66/74/75/1384667475.db2.gz XAGTVFJMGPTVCQ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@H](C)c1ccc(F)cc1 ZINC001316898716 1384677808 /nfs/dbraw/zinc/67/78/08/1384677808.db2.gz FBULUOXVDWUSCI-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH+](CCC2CCCCCC2)C2CC2)C1 ZINC001316926660 1384697170 /nfs/dbraw/zinc/69/71/70/1384697170.db2.gz LNHLSXSPBDFGNF-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CCC2CCCCCC2)C2CC2)C1 ZINC001316926661 1384698290 /nfs/dbraw/zinc/69/82/90/1384698290.db2.gz LNHLSXSPBDFGNF-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001316936170 1384707825 /nfs/dbraw/zinc/70/78/25/1384707825.db2.gz ROEZCRORHRJURA-GOSISDBHSA-N 2 0 345.531 3.239 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001316987768 1384743914 /nfs/dbraw/zinc/74/39/14/1384743914.db2.gz VKJIYFXWMROQSC-WOJBJXKFSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001316989812 1384747585 /nfs/dbraw/zinc/74/75/85/1384747585.db2.gz AXASFNJXOHVGGM-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317035440 1384805305 /nfs/dbraw/zinc/80/53/05/1384805305.db2.gz UDVVZUZYCYQOKU-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)C/C=C/Cl)C1)[NH+](CC)CC ZINC001317040760 1384813455 /nfs/dbraw/zinc/81/34/55/1384813455.db2.gz GACFFQHRESUXMT-YVKRRXEKSA-N 2 0 343.943 3.030 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH+](C)CCCC3CCC3)C2)C1 ZINC001317042948 1384816724 /nfs/dbraw/zinc/81/67/24/1384816724.db2.gz LNVUGHCUYCRVDM-QUCCMNQESA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317190402 1384964888 /nfs/dbraw/zinc/96/48/88/1384964888.db2.gz UBGMBNNGDRVIRG-XHHZUUQWSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001317191112 1384965144 /nfs/dbraw/zinc/96/51/44/1384965144.db2.gz AOFFMUUYPHMTMC-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC2CCC([NH2+]CCCC(C)C)CC2)CC[N@@H+]1C ZINC001317217378 1384997322 /nfs/dbraw/zinc/99/73/22/1384997322.db2.gz FETOZRLFMOHUPR-WZOJCFFYSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CNC(=O)CCCC[NH+]1CCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001317289863 1385063196 /nfs/dbraw/zinc/06/31/96/1385063196.db2.gz PRZWXQKTIUHQMV-YLJYHZDGSA-N 2 0 343.515 3.034 10 0 EGAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317333913 1385086980 /nfs/dbraw/zinc/08/69/80/1385086980.db2.gz OSIYBEGLPSGHSP-ICSRJNTNSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355780 1385102198 /nfs/dbraw/zinc/10/21/98/1385102198.db2.gz MOABEPHNSXPUOV-IRXDYDNUSA-N 2 0 339.568 3.418 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001317415907 1385125856 /nfs/dbraw/zinc/12/58/56/1385125856.db2.gz PGZCNSQURXLBHQ-QZTJIDSGSA-N 2 0 333.520 3.189 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001317426038 1385131901 /nfs/dbraw/zinc/13/19/01/1385131901.db2.gz DZLLELCDWNORCD-UXHICEINSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001317437704 1385140267 /nfs/dbraw/zinc/14/02/67/1385140267.db2.gz WTNFMFVKDKGGAS-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CCCCC1 ZINC001317490333 1385189706 /nfs/dbraw/zinc/18/97/06/1385189706.db2.gz ZOPDZZLKELSRRS-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cc(C)ccc1C ZINC001317492591 1385193290 /nfs/dbraw/zinc/19/32/90/1385193290.db2.gz OXSWMQVSEBEUTQ-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001317500652 1385201695 /nfs/dbraw/zinc/20/16/95/1385201695.db2.gz BASQKAKMWBSLPN-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)C1CC1 ZINC001317552514 1385313489 /nfs/dbraw/zinc/31/34/89/1385313489.db2.gz SUUQDKSJFZGHKV-IEBWSBKVSA-N 2 0 343.515 3.203 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CCC2CCCCC2)C1 ZINC001317624983 1385358755 /nfs/dbraw/zinc/35/87/55/1385358755.db2.gz YWULVYJMRUGSKM-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCC1 ZINC001317693151 1385402573 /nfs/dbraw/zinc/40/25/73/1385402573.db2.gz FXVJZRCMTDXCOR-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001317713789 1385414944 /nfs/dbraw/zinc/41/49/44/1385414944.db2.gz HXAKJDWOUGPLTJ-VQTJNVASSA-N 2 0 345.531 3.165 10 0 EGAERP C[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001317802801 1385497762 /nfs/dbraw/zinc/49/77/62/1385497762.db2.gz MCQIWAKOKAQLFK-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317861866 1385546073 /nfs/dbraw/zinc/54/60/73/1385546073.db2.gz FFDIDENLEJXPBG-OYQYDDJWSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317876676 1385556181 /nfs/dbraw/zinc/55/61/81/1385556181.db2.gz LNIJOPJQANEHHK-YJJPMGAVSA-N 2 0 349.563 3.388 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001318300933 1385645574 /nfs/dbraw/zinc/64/55/74/1385645574.db2.gz HBUCKDZVZJAUCT-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]C/C=C\c1ccccc1 ZINC001318524357 1385734245 /nfs/dbraw/zinc/73/42/45/1385734245.db2.gz LTSNPLCVSULWRY-JDBYYAOJSA-N 2 0 343.515 3.057 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524808 1385734803 /nfs/dbraw/zinc/73/48/03/1385734803.db2.gz PSYQFUJHRYRWCL-WOJBJXKFSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CCCC1CCC1 ZINC001318543693 1385748190 /nfs/dbraw/zinc/74/81/90/1385748190.db2.gz ZFKFRSVGRDNTPB-KRWDZBQOSA-N 2 0 342.487 3.321 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001318553994 1385752613 /nfs/dbraw/zinc/75/26/13/1385752613.db2.gz DRRRIWCCENJRAV-MAUKXSAKSA-N 2 0 349.494 3.246 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001318553993 1385752958 /nfs/dbraw/zinc/75/29/58/1385752958.db2.gz DRRRIWCCENJRAV-CRAIPNDOSA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC2(C[NH2+]CC3CCCC3)CCCC2)CC1 ZINC001318664105 1385823657 /nfs/dbraw/zinc/82/36/57/1385823657.db2.gz MUZAESZRWKFARK-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001318672043 1385830118 /nfs/dbraw/zinc/83/01/18/1385830118.db2.gz WHPSKHKSUQXGBI-UHFFFAOYSA-N 2 0 345.531 3.427 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)C1 ZINC001318928628 1385884450 /nfs/dbraw/zinc/88/44/50/1385884450.db2.gz KLMNKISMDDUHLC-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001319028336 1385933879 /nfs/dbraw/zinc/93/38/79/1385933879.db2.gz XTXODNDEAYYMFP-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)C1CCC1 ZINC001319078721 1385954579 /nfs/dbraw/zinc/95/45/79/1385954579.db2.gz RWWWDIOQQDCDPE-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)C[NH2+]CC1=CCCCC1 ZINC001319194222 1386000604 /nfs/dbraw/zinc/00/06/04/1386000604.db2.gz GYQBCLZOPMMQQE-OAHLLOKOSA-N 2 0 349.544 3.266 10 0 EGAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001319351600 1386073600 /nfs/dbraw/zinc/07/36/00/1386073600.db2.gz KZYGHQWRMZWOFE-MRXNPFEDSA-N 2 0 341.515 3.018 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001319390267 1386100439 /nfs/dbraw/zinc/10/04/39/1386100439.db2.gz YVISZRBPZHPAED-PJHKVULZSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]C/C=C\c2ccccc2)CCCC1)[NH+](C)C ZINC001698634155 1406278262 /nfs/dbraw/zinc/27/82/62/1406278262.db2.gz OITBDXFXHJPENU-XGCMIMOYSA-N 2 0 343.515 3.059 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001319683530 1386250573 /nfs/dbraw/zinc/25/05/73/1386250573.db2.gz PTOZDHLEYMCMMJ-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319752624 1386281002 /nfs/dbraw/zinc/28/10/02/1386281002.db2.gz VHTFJWMZIYZQKU-GUDVDZBRSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001319880936 1386357199 /nfs/dbraw/zinc/35/71/99/1386357199.db2.gz OGNVWTBYSVVBEB-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919111 1386390891 /nfs/dbraw/zinc/39/08/91/1386390891.db2.gz SGNMKBMHQSNKRY-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001319934968 1386401433 /nfs/dbraw/zinc/40/14/33/1386401433.db2.gz HIOTZFYWMMXWJQ-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001320113047 1386521141 /nfs/dbraw/zinc/52/11/41/1386521141.db2.gz FWFXXTYVIZROPL-PMACEKPBSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320369788 1386590053 /nfs/dbraw/zinc/59/00/53/1386590053.db2.gz BIPRLZJZWQASCX-QFBILLFUSA-N 2 0 345.531 3.063 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccccc1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001320644685 1386677564 /nfs/dbraw/zinc/67/75/64/1386677564.db2.gz MPDCPXOQBAANLM-QGZVFWFLSA-N 2 0 339.483 3.046 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001698665092 1406316143 /nfs/dbraw/zinc/31/61/43/1406316143.db2.gz UEXLNLYTGVQIQP-WIYYLYMNSA-N 2 0 345.531 3.101 10 0 EGAERP CC[C@@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001321188270 1386835415 /nfs/dbraw/zinc/83/54/15/1386835415.db2.gz GXQORXOBGBYYBK-UBZMYNMCSA-N 2 0 349.906 3.147 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001698684416 1406331825 /nfs/dbraw/zinc/33/18/25/1406331825.db2.gz IJRIAEFRORVQMJ-WOJBJXKFSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322257799 1387124318 /nfs/dbraw/zinc/12/43/18/1387124318.db2.gz ICHCNHRRODDIER-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001322281525 1387137790 /nfs/dbraw/zinc/13/77/90/1387137790.db2.gz PWAFHVDNHVBRAC-PKOBYXMFSA-N 2 0 345.531 3.088 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001322567608 1387206464 /nfs/dbraw/zinc/20/64/64/1387206464.db2.gz ZSTJMDIEJCSBSC-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001322682382 1387224643 /nfs/dbraw/zinc/22/46/43/1387224643.db2.gz GMTHDOXKCZJWQU-HXUWFJFHSA-N 2 0 347.547 3.136 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001322729842 1387232166 /nfs/dbraw/zinc/23/21/66/1387232166.db2.gz AUCZNBRZJLMDRJ-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001329219819 1389025894 /nfs/dbraw/zinc/02/58/94/1389025894.db2.gz GDJGNIMCMYTDGH-SOAGJPPSSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001329230896 1389029695 /nfs/dbraw/zinc/02/96/95/1389029695.db2.gz NIHWUSXFZJOWPN-JYMGFWGLSA-N 2 0 349.563 3.432 10 0 EGAERP CC[C@@H](F)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001329243617 1389033635 /nfs/dbraw/zinc/03/36/35/1389033635.db2.gz NLWRCMDCWXTBMQ-KLAILNCOSA-N 2 0 343.531 3.072 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001329341556 1389068399 /nfs/dbraw/zinc/06/83/99/1389068399.db2.gz DBIJJAGWGMCUDO-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC001698719041 1406363555 /nfs/dbraw/zinc/36/35/55/1406363555.db2.gz BUTNXJSKHAVCME-HXUWFJFHSA-N 2 0 345.531 3.313 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001330536614 1389448019 /nfs/dbraw/zinc/44/80/19/1389448019.db2.gz CCAZDFAFPSZFSL-BGYRXZFFSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001330623555 1389474788 /nfs/dbraw/zinc/47/47/88/1389474788.db2.gz YBXPILBRFNGCOW-WKILWMFISA-N 2 0 342.487 3.177 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001331068308 1389617486 /nfs/dbraw/zinc/61/74/86/1389617486.db2.gz IDDGNZBNEGCLNA-IEBWSBKVSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001332052189 1389960647 /nfs/dbraw/zinc/96/06/47/1389960647.db2.gz XDBFXYKBERJIDS-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001332113809 1389991451 /nfs/dbraw/zinc/99/14/51/1389991451.db2.gz UDLKKZXABQGOOR-WSTZPKSXSA-N 2 0 335.536 3.186 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001332322661 1390086600 /nfs/dbraw/zinc/08/66/00/1390086600.db2.gz MOZJBRCNSQYGGG-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001332438820 1390118299 /nfs/dbraw/zinc/11/82/99/1390118299.db2.gz SSRIWTWOWKWYCB-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001332804836 1390190537 /nfs/dbraw/zinc/19/05/37/1390190537.db2.gz BHOBXQJTSFEONA-KRWDZBQOSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C)[NH+](C)C ZINC001332882090 1390208325 /nfs/dbraw/zinc/20/83/25/1390208325.db2.gz QYDCTHFCKSEGMM-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001332959968 1390224478 /nfs/dbraw/zinc/22/44/78/1390224478.db2.gz GSZXFRRTKLSFCA-QZTJIDSGSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001333399424 1390296576 /nfs/dbraw/zinc/29/65/76/1390296576.db2.gz HHVBXDWDVQYDPV-SFHVURJKSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001333417402 1390299705 /nfs/dbraw/zinc/29/97/05/1390299705.db2.gz OLLKSLZJEXYPNL-FQEVSTJZSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001334945236 1390625010 /nfs/dbraw/zinc/62/50/10/1390625010.db2.gz RQYLSNAKIXCFIH-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698826500 1406519445 /nfs/dbraw/zinc/51/94/45/1406519445.db2.gz ZYSIADHTUKWZLE-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)n1ccnc1 ZINC001352019257 1391746031 /nfs/dbraw/zinc/74/60/31/1391746031.db2.gz CUVKWXQRZYKNIG-IEBWSBKVSA-N 2 0 340.471 3.005 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001479348178 1392221857 /nfs/dbraw/zinc/22/18/57/1392221857.db2.gz NXWAQDJNCNYJAJ-HSALFYBXSA-N 2 0 349.563 3.172 10 0 EGAERP CC1CCC(C[NH2+][C@H]2C[C@H](CNC(=O)CC3CC[NH+](C)CC3)C2)CC1 ZINC001479398910 1392234220 /nfs/dbraw/zinc/23/42/20/1392234220.db2.gz LSHAXDHBLLCOCR-JNXHAIIESA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001479500468 1392257662 /nfs/dbraw/zinc/25/76/62/1392257662.db2.gz FWOQWIJVYHBFLT-VANUVFSVSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001479500466 1392257677 /nfs/dbraw/zinc/25/76/77/1392257677.db2.gz FWOQWIJVYHBFLT-JCMVTEASSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001479523917 1392267879 /nfs/dbraw/zinc/26/78/79/1392267879.db2.gz GIOPZSQWNXTWRW-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001479613582 1392287383 /nfs/dbraw/zinc/28/73/83/1392287383.db2.gz NHDXKTJZEXXWAJ-SXLOBPIMSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1CCCC1CCC1 ZINC001479641432 1392302219 /nfs/dbraw/zinc/30/22/19/1392302219.db2.gz ZSUVEFQSQMOKJE-IPMKNSEASA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001479688485 1392320255 /nfs/dbraw/zinc/32/02/55/1392320255.db2.gz RTJHYAQBWXLYHT-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001479688488 1392320272 /nfs/dbraw/zinc/32/02/72/1392320272.db2.gz RTJHYAQBWXLYHT-QWNKOJSDSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](CCC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CC1)C1CCCCC1 ZINC001479736377 1392347193 /nfs/dbraw/zinc/34/71/93/1392347193.db2.gz CBZMAGPTUCPSEE-FQEVSTJZSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001479895947 1392464637 /nfs/dbraw/zinc/46/46/37/1392464637.db2.gz DZCWQDFTNSSTRM-LIXSYLKWSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001480116442 1392591718 /nfs/dbraw/zinc/59/17/18/1392591718.db2.gz FFFBIQOIRBLMFG-PMACEKPBSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480188613 1392618371 /nfs/dbraw/zinc/61/83/71/1392618371.db2.gz WNDLONPBFCKYMZ-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001480257763 1392641600 /nfs/dbraw/zinc/64/16/00/1392641600.db2.gz MLEAHQJNLJIQRH-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295915 1392664062 /nfs/dbraw/zinc/66/40/62/1392664062.db2.gz MMLMJOSSWWVXFH-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480322939 1392683160 /nfs/dbraw/zinc/68/31/60/1392683160.db2.gz HPVXKTILHKIWPI-ZMHWVXQFSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001480333376 1392692691 /nfs/dbraw/zinc/69/26/91/1392692691.db2.gz SEARKJXZOQIEIU-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(CC)CC ZINC001480349893 1392699610 /nfs/dbraw/zinc/69/96/10/1392699610.db2.gz LYEDMGGKWPLSIQ-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CCCC1 ZINC001480374201 1392717143 /nfs/dbraw/zinc/71/71/43/1392717143.db2.gz VEWFTNYPLZKSJX-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480378243 1392721439 /nfs/dbraw/zinc/72/14/39/1392721439.db2.gz APHQQANACIQQHJ-WIJVFFIESA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696313 1392860367 /nfs/dbraw/zinc/86/03/67/1392860367.db2.gz HOFHHMDKGNJOHE-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480729013 1392890604 /nfs/dbraw/zinc/89/06/04/1392890604.db2.gz BZNWLJZBRIMWOA-GLCUZYPYSA-N 2 0 349.563 3.386 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001480776434 1392926529 /nfs/dbraw/zinc/92/65/29/1392926529.db2.gz NKAIPYUFDCDCBE-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCCC1)[NH+]1CCCC1 ZINC001481053981 1393107783 /nfs/dbraw/zinc/10/77/83/1393107783.db2.gz WJGVDSIPHRRDGU-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1)CC(C)(C)C ZINC001481059959 1393109374 /nfs/dbraw/zinc/10/93/74/1393109374.db2.gz WURLWKCSSDVKBL-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001481059977 1393109411 /nfs/dbraw/zinc/10/94/11/1393109411.db2.gz XDOSOKRVAAQPRA-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001481059975 1393109686 /nfs/dbraw/zinc/10/96/86/1393109686.db2.gz XDOSOKRVAAQPRA-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCC(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1)C1CCCCC1 ZINC001481103872 1393120414 /nfs/dbraw/zinc/12/04/14/1393120414.db2.gz MBHFVFGCFWQPTM-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001481286126 1393158411 /nfs/dbraw/zinc/15/84/11/1393158411.db2.gz CFMCDTCQQZQDLJ-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001481287570 1393158876 /nfs/dbraw/zinc/15/88/76/1393158876.db2.gz LIIODLJLJAMRHJ-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[NH2+]CC2CC2)cc1 ZINC001481357704 1393179149 /nfs/dbraw/zinc/17/91/49/1393179149.db2.gz IRTZKVAAKRSBNF-UXHICEINSA-N 2 0 343.515 3.061 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCCC2)C1 ZINC001698883008 1406614703 /nfs/dbraw/zinc/61/47/03/1406614703.db2.gz NZNUNVVCDVIGTE-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001698884612 1406617847 /nfs/dbraw/zinc/61/78/47/1406617847.db2.gz OJWRKRHFVZQZEY-OALUTQOASA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001698895504 1406628151 /nfs/dbraw/zinc/62/81/51/1406628151.db2.gz YOGJWUVZTDJXNQ-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001698900718 1406634328 /nfs/dbraw/zinc/63/43/28/1406634328.db2.gz UCDBLQXPMYCTSW-LJJUJYJISA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001490420232 1394221419 /nfs/dbraw/zinc/22/14/19/1394221419.db2.gz SBAOTGNNKLUUBW-PSCPARJHSA-N 2 0 347.547 3.282 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001481403791 1394255308 /nfs/dbraw/zinc/25/53/08/1394255308.db2.gz GRIGYQYDDKFMDP-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001490611427 1394281648 /nfs/dbraw/zinc/28/16/48/1394281648.db2.gz UCPCSSKOWVKWHO-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP O=C(NCC[C@H]1CC[N@H+](CC2CC2)C1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001481445305 1394297913 /nfs/dbraw/zinc/29/79/13/1394297913.db2.gz HCFJSNIBJAUZGC-AZUAARDMSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)c1 ZINC001490742968 1394314147 /nfs/dbraw/zinc/31/41/47/1394314147.db2.gz XUYBGUFOTQRKKE-IBGZPJMESA-N 2 0 345.531 3.282 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001490901281 1394370182 /nfs/dbraw/zinc/37/01/82/1394370182.db2.gz BKMOHAUIOKTOJC-GUDVDZBRSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950596 1406691275 /nfs/dbraw/zinc/69/12/75/1406691275.db2.gz ADWNIFHAAVNJST-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](CC)CC ZINC001491053153 1394413801 /nfs/dbraw/zinc/41/38/01/1394413801.db2.gz MTWCKQPTURQJPF-HSALFYBXSA-N 2 0 345.531 3.161 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001491109267 1394430634 /nfs/dbraw/zinc/43/06/34/1394430634.db2.gz FZMRSHLJTUWEGM-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001491206582 1394471542 /nfs/dbraw/zinc/47/15/42/1394471542.db2.gz OYJQMBJCTDYPQA-MOPGFXCFSA-N 2 0 337.552 3.410 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001481751898 1394496114 /nfs/dbraw/zinc/49/61/14/1394496114.db2.gz RJYQXCSWFNICDA-FQEVSTJZSA-N 2 0 347.547 3.286 10 0 EGAERP CC(C)(C)CC[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001491356934 1394510028 /nfs/dbraw/zinc/51/00/28/1394510028.db2.gz YIRWCOSYIDYMAT-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001491360792 1394512243 /nfs/dbraw/zinc/51/22/43/1394512243.db2.gz KLFSUQVDVSGEHT-ACBHZAAOSA-N 2 0 331.504 3.106 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816416 1394543143 /nfs/dbraw/zinc/54/31/43/1394543143.db2.gz LPBSRROSTPIWCR-UXHICEINSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481883210 1394577001 /nfs/dbraw/zinc/57/70/01/1394577001.db2.gz WYSGFEXMUYREAX-PMACEKPBSA-N 2 0 345.531 3.162 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001481898894 1394585195 /nfs/dbraw/zinc/58/51/95/1394585195.db2.gz FUYRTGIANVFSBS-LJQANCHMSA-N 2 0 347.547 3.380 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481973896 1394636375 /nfs/dbraw/zinc/63/63/75/1394636375.db2.gz HANSTXYTGSTXRS-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001482002239 1394661366 /nfs/dbraw/zinc/66/13/66/1394661366.db2.gz DHJLKMMWEXTBFN-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001482050278 1394713558 /nfs/dbraw/zinc/71/35/58/1394713558.db2.gz VDTXZTWASGPFNL-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2=CCCCC2)CC[N@@H+]1C ZINC001482061337 1394722359 /nfs/dbraw/zinc/72/23/59/1394722359.db2.gz GTUJYBZLOLYULB-YSIASYRMSA-N 2 0 347.547 3.188 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001482137933 1394764979 /nfs/dbraw/zinc/76/49/79/1394764979.db2.gz SXFUQFADDQTEMV-SJLPKXTDSA-N 2 0 345.531 3.048 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001482220942 1394814027 /nfs/dbraw/zinc/81/40/27/1394814027.db2.gz POCPDKFGJPVMBM-KRWDZBQOSA-N 2 0 349.544 3.141 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCC3CCCC3)CCCC2)C1 ZINC001482229675 1394823758 /nfs/dbraw/zinc/82/37/58/1394823758.db2.gz FECOPUUQOJAVKE-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337197 1394904724 /nfs/dbraw/zinc/90/47/24/1394904724.db2.gz OCPKJGNCDZCCDO-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001482347735 1394913210 /nfs/dbraw/zinc/91/32/10/1394913210.db2.gz PPOMLEZRXKBWQF-KRWDZBQOSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001482370418 1394932940 /nfs/dbraw/zinc/93/29/40/1394932940.db2.gz WQXZDQFYMUQHQT-IEBWSBKVSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482383906 1394944273 /nfs/dbraw/zinc/94/42/73/1394944273.db2.gz FKCZVNNKYLRHIW-NZSAHSFTSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001483834299 1395102304 /nfs/dbraw/zinc/10/23/04/1395102304.db2.gz BCTQBOLFZFOTEE-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001483841919 1395107358 /nfs/dbraw/zinc/10/73/58/1395107358.db2.gz KVAXGMCDILUKRW-NGQOVYEWSA-N 2 0 347.547 3.142 10 0 EGAERP C[N@H+](CCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001483937427 1395152378 /nfs/dbraw/zinc/15/23/78/1395152378.db2.gz CCPSTWWEAYNMJM-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072191 1395233221 /nfs/dbraw/zinc/23/32/21/1395233221.db2.gz RPFNKWMKPZMQPW-BEFAXECRSA-N 2 0 349.906 3.077 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484102173 1395251080 /nfs/dbraw/zinc/25/10/80/1395251080.db2.gz WRYBTLQNAIIRPE-YWZLYKJASA-N 2 0 342.487 3.131 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001484115325 1395259857 /nfs/dbraw/zinc/25/98/57/1395259857.db2.gz RXBQXCMZMMTZQY-IRUYWQDXSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115964 1395260103 /nfs/dbraw/zinc/26/01/03/1395260103.db2.gz YPUKMYBQVURRSH-CTNGQTDRSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C(C)C ZINC001698980509 1406756331 /nfs/dbraw/zinc/75/63/31/1406756331.db2.gz KHQRGSUXEGXMLL-PMACEKPBSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001484463941 1395399721 /nfs/dbraw/zinc/39/97/21/1395399721.db2.gz LDWRJGJHYOONJV-RTBURBONSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001484720556 1395483168 /nfs/dbraw/zinc/48/31/68/1395483168.db2.gz QNTPHIHVJYMOHY-FHWLQOOXSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485240531 1395733598 /nfs/dbraw/zinc/73/35/98/1395733598.db2.gz FYOBRVWUTBUOKG-ZWQDRSNESA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2C)C1 ZINC001485342396 1395815344 /nfs/dbraw/zinc/81/53/44/1395815344.db2.gz SEGUVTUFIHFMRN-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001485427203 1395892556 /nfs/dbraw/zinc/89/25/56/1395892556.db2.gz ADEHBJJNQRVXJT-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@H](C)c2ccccc2C)CC1(C)C ZINC001485579287 1396050681 /nfs/dbraw/zinc/05/06/81/1396050681.db2.gz KCFYTBWFWAULMV-MJGOQNOKSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@H](CCC[NH2+]Cc1ccccc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485740655 1396127876 /nfs/dbraw/zinc/12/78/76/1396127876.db2.gz RHAKDZWBVVFPEO-RTBURBONSA-N 2 0 345.531 3.326 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001485759354 1396134779 /nfs/dbraw/zinc/13/47/79/1396134779.db2.gz RITKOPSSFVYUIE-PMACEKPBSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCCCC1 ZINC001485785710 1396153576 /nfs/dbraw/zinc/15/35/76/1396153576.db2.gz LVGLRDHVEWVXMG-BHIYHBOVSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001485960664 1396173993 /nfs/dbraw/zinc/17/39/93/1396173993.db2.gz JVBNCDZJNJTICT-PKOBYXMFSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001485961066 1396174353 /nfs/dbraw/zinc/17/43/53/1396174353.db2.gz QAAMXKHCJGXBJO-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001486127001 1396178975 /nfs/dbraw/zinc/17/89/75/1396178975.db2.gz FPJPTSAFDXANAF-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001501171776 1396189022 /nfs/dbraw/zinc/18/90/22/1396189022.db2.gz HPQHDDIXYPPLDV-HXZZHZHRSA-N 2 0 335.536 3.042 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001502732096 1396223012 /nfs/dbraw/zinc/22/30/12/1396223012.db2.gz WATBJHDJNVGQTP-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001505410725 1396294550 /nfs/dbraw/zinc/29/45/50/1396294550.db2.gz SZDOVFRCWSDGTB-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001492078713 1396302740 /nfs/dbraw/zinc/30/27/40/1396302740.db2.gz VVDYRKPKOYHQRM-KRWDZBQOSA-N 2 0 345.531 3.136 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001492156150 1396309433 /nfs/dbraw/zinc/30/94/33/1396309433.db2.gz FUEBXJVQSFXAEB-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492158331 1396309584 /nfs/dbraw/zinc/30/95/84/1396309584.db2.gz PXZPWAJHZZTUPW-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001493825180 1396343206 /nfs/dbraw/zinc/34/32/06/1396343206.db2.gz CNOZVOQBTVPCPJ-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001494298240 1396423529 /nfs/dbraw/zinc/42/35/29/1396423529.db2.gz GWVZQFQOFSRBQK-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CC1CCCCCC1 ZINC001699004175 1406822790 /nfs/dbraw/zinc/82/27/90/1406822790.db2.gz NGNRSJPNNZUFHG-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001494877457 1396505487 /nfs/dbraw/zinc/50/54/87/1396505487.db2.gz UCUFKIWAIIVZKQ-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1 ZINC001496179558 1396620278 /nfs/dbraw/zinc/62/02/78/1396620278.db2.gz SXBWPILJJWQAAS-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001496323593 1396650042 /nfs/dbraw/zinc/65/00/42/1396650042.db2.gz AKIZNLORTXOELS-HXUWFJFHSA-N 2 0 347.547 3.237 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001496366164 1396670065 /nfs/dbraw/zinc/67/00/65/1396670065.db2.gz AJTIGFHFONVJOU-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001496428350 1396704698 /nfs/dbraw/zinc/70/46/98/1396704698.db2.gz NBADCEJCAZFJTL-AZUAARDMSA-N 2 0 343.515 3.204 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001496432473 1396706506 /nfs/dbraw/zinc/70/65/06/1396706506.db2.gz YRDDODYMHIRUKA-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1CCCCCC1)[NH+](C)C ZINC001497204939 1396736597 /nfs/dbraw/zinc/73/65/97/1396736597.db2.gz FUASICKGCKWOQC-AEFFLSMTSA-N 2 0 325.541 3.027 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)C[N@H+](C)C1CCC1 ZINC001497400905 1396755281 /nfs/dbraw/zinc/75/52/81/1396755281.db2.gz MGVBLIIDTSEGOO-SFHVURJKSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012446 1406844102 /nfs/dbraw/zinc/84/41/02/1406844102.db2.gz DSNXGDUPYRGTOI-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001689058637 1396859756 /nfs/dbraw/zinc/85/97/56/1396859756.db2.gz MQIJCGXMXPPYRX-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CCC[NH2+]Cc1ccccc1 ZINC001689131269 1396936072 /nfs/dbraw/zinc/93/60/72/1396936072.db2.gz NJQSKGUGCHJHSJ-UYAOXDASSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689147117 1396948420 /nfs/dbraw/zinc/94/84/20/1396948420.db2.gz RYHRQNYZWGTAME-RLLQIKCJSA-N 2 0 349.563 3.122 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001689807787 1404147976 /nfs/dbraw/zinc/14/79/76/1404147976.db2.gz IAUKCPFRQBBZLV-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001689809793 1404149905 /nfs/dbraw/zinc/14/99/05/1404149905.db2.gz GWJPFQMVUGAMRX-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccccc1C[NH+](C)CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001689812790 1404152521 /nfs/dbraw/zinc/15/25/21/1404152521.db2.gz QWXTYVAQSRMFPA-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001689890696 1404187646 /nfs/dbraw/zinc/18/76/46/1404187646.db2.gz CGDGRSFTBHLOJX-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CCCCC1 ZINC001689939678 1404217966 /nfs/dbraw/zinc/21/79/66/1404217966.db2.gz ZQVALUQGAMNYOC-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@H]21 ZINC001690317674 1404473878 /nfs/dbraw/zinc/47/38/78/1404473878.db2.gz JJBPGZHHCGUJFG-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001690457727 1404586662 /nfs/dbraw/zinc/58/66/62/1404586662.db2.gz QDXWKPMZKDQEMV-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690480258 1404599808 /nfs/dbraw/zinc/59/98/08/1404599808.db2.gz IONVFWAEKQHGOB-RTBURBONSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)Cc2[nH]cnc2C)CC1 ZINC001690544594 1404628665 /nfs/dbraw/zinc/62/86/65/1404628665.db2.gz UKRQJMBELBLIOY-AATRIKPKSA-N 2 0 332.492 3.024 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001690708033 1404694763 /nfs/dbraw/zinc/69/47/63/1404694763.db2.gz IIVULGJHHPZIGZ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001690867353 1404786126 /nfs/dbraw/zinc/78/61/26/1404786126.db2.gz SFVCBMARERBJGS-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001690871807 1404787850 /nfs/dbraw/zinc/78/78/50/1404787850.db2.gz FMMDRTLQXOLDRC-MRXNPFEDSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690968139 1404875311 /nfs/dbraw/zinc/87/53/11/1404875311.db2.gz OAZGLQSYPHNHPB-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CCC[NH2+]C/C=C/c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725402521 1426047377 /nfs/dbraw/zinc/04/73/77/1426047377.db2.gz UFUILNMMLVFCLQ-LMRKYDFJSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725407766 1426051944 /nfs/dbraw/zinc/05/19/44/1426051944.db2.gz RNHKDBBAKGCYQO-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@H](C)c2ccccc2C)CC[N@@H+]1C ZINC001691020266 1404934335 /nfs/dbraw/zinc/93/43/35/1404934335.db2.gz QGHGMQFSCXJGJR-YZGWKJHDSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CC2(CCC2)C1 ZINC001691048259 1404962107 /nfs/dbraw/zinc/96/21/07/1404962107.db2.gz VLYDHTXMGZHHSW-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001691085532 1405019242 /nfs/dbraw/zinc/01/92/42/1405019242.db2.gz GGIFIOCFZIVDHK-AZUAARDMSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCCC1CCC1)[NH+]1CCCC1 ZINC001691091858 1405026556 /nfs/dbraw/zinc/02/65/56/1405026556.db2.gz HYQPHDUPTRWREZ-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691095609 1405032538 /nfs/dbraw/zinc/03/25/38/1405032538.db2.gz DHGNGWMQUPOPLS-MKXGPGLRSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)C1 ZINC001691123666 1405064352 /nfs/dbraw/zinc/06/43/52/1405064352.db2.gz MGCYRXYNKHCYIG-SLFFLAALSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001691228409 1405168301 /nfs/dbraw/zinc/16/83/01/1405168301.db2.gz KOIPTFJPAUPEFP-RCCFBDPRSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001691230592 1405169921 /nfs/dbraw/zinc/16/99/21/1405169921.db2.gz JYAVEXGFAUFTTK-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001691620099 1405360776 /nfs/dbraw/zinc/36/07/76/1405360776.db2.gz GTZWZTAVQYGGKX-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691626037 1405364665 /nfs/dbraw/zinc/36/46/65/1405364665.db2.gz SMHXJPSVBLFWFI-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC1CC(C[NH2+][C@H]2CCCCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001691636224 1405371940 /nfs/dbraw/zinc/37/19/40/1405371940.db2.gz CZSJBOZIHLLHGL-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001691674785 1405408763 /nfs/dbraw/zinc/40/87/63/1405408763.db2.gz LYHROZIUTNDKHK-OALUTQOASA-N 2 0 345.531 3.239 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691680001 1405416077 /nfs/dbraw/zinc/41/60/77/1405416077.db2.gz ZUBINLSAZOZKHU-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691691539 1405425833 /nfs/dbraw/zinc/42/58/33/1405425833.db2.gz AZYWCVNAOXNNQM-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001691745742 1405466575 /nfs/dbraw/zinc/46/65/75/1405466575.db2.gz PIBDZUXCBPYHRI-BGYRXZFFSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001691792386 1405502025 /nfs/dbraw/zinc/50/20/25/1405502025.db2.gz NHVQTIHJXHZWIM-GOSISDBHSA-N 2 0 331.504 3.108 10 0 EGAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691812231 1405524525 /nfs/dbraw/zinc/52/45/25/1405524525.db2.gz TXMSTJJVLYWNAO-HBFSDRIKSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001691960369 1405677496 /nfs/dbraw/zinc/67/74/96/1405677496.db2.gz PSBYOAQNFKISMA-UCFODXPJSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH+](C)CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001691961920 1405679706 /nfs/dbraw/zinc/67/97/06/1405679706.db2.gz SULKZWZGLUYFFD-YZGWKJHDSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1CC ZINC001692004157 1405720889 /nfs/dbraw/zinc/72/08/89/1405720889.db2.gz AJXDAGWAELKWRG-FKFVHGFCSA-N 2 0 349.563 3.432 10 0 EGAERP C[N@H+](CCC1CCCCC1)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001692006851 1405724155 /nfs/dbraw/zinc/72/41/55/1405724155.db2.gz UOIXHLAMLYNMPJ-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)[C@@H]1C)[NH+](C)C ZINC001692172963 1405821965 /nfs/dbraw/zinc/82/19/65/1405821965.db2.gz DFNOFEXKARPXND-NZSAHSFTSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+]1CC(C)C ZINC001692226671 1405856291 /nfs/dbraw/zinc/85/62/91/1405856291.db2.gz AUIKOYOFSLRGLK-OTWHNJEPSA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001698581821 1406193848 /nfs/dbraw/zinc/19/38/48/1406193848.db2.gz OLBBRWGTAWMTCI-YZPMEYCISA-N 2 0 335.536 3.138 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001698589177 1406209938 /nfs/dbraw/zinc/20/99/38/1406209938.db2.gz ZGYRMDSXBCYBLO-RBUKOAKNSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001732021093 1428238291 /nfs/dbraw/zinc/23/82/91/1428238291.db2.gz AYGHVTCVWNSWNP-MJGOQNOKSA-N 2 0 345.531 3.354 10 0 EGAERP CC1CCC(C[NH2+][C@H](CNC(=O)CC[NH+](C)C)c2ccccc2)CC1 ZINC001732020830 1428238555 /nfs/dbraw/zinc/23/85/55/1428238555.db2.gz BAYYDAGUVAKLOJ-AFMYVXGZSA-N 2 0 345.531 3.212 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001732022674 1428240353 /nfs/dbraw/zinc/24/03/53/1428240353.db2.gz BNLBYWYMGOQGDC-IEBWSBKVSA-N 2 0 331.504 3.106 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036560 1428257864 /nfs/dbraw/zinc/25/78/64/1428257864.db2.gz GRWASPRVFRPXHN-RTBURBONSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001732085933 1428345954 /nfs/dbraw/zinc/34/59/54/1428345954.db2.gz BZSMMOBZMYVMHQ-PXDRNWIDSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCCC(C)(C)C)CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001732086157 1428346229 /nfs/dbraw/zinc/34/62/29/1428346229.db2.gz ISPROMYDTMUJNE-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001732232520 1428478936 /nfs/dbraw/zinc/47/89/36/1428478936.db2.gz BJNWHWAQUFGBSP-SFHVURJKSA-N 2 0 345.531 3.335 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCCC2CCC2)CCCC1 ZINC001732232841 1428479408 /nfs/dbraw/zinc/47/94/08/1428479408.db2.gz NUCWTKXJVAOFKP-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001732258049 1428498688 /nfs/dbraw/zinc/49/86/88/1428498688.db2.gz BLSORWZEEQAGKJ-WIYYLYMNSA-N 2 0 349.563 3.317 10 0 EGAERP CCC(CC)C[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@@H]1C ZINC001732258711 1428499233 /nfs/dbraw/zinc/49/92/33/1428499233.db2.gz DWWCOXKSSUXKKZ-FXAWDEMLSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001732466023 1428595874 /nfs/dbraw/zinc/59/58/74/1428595874.db2.gz HCUGOZGGNFMREB-IBGZPJMESA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001732499717 1428621097 /nfs/dbraw/zinc/62/10/97/1428621097.db2.gz NMZZGTYBYSDLLJ-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)CC1 ZINC001732516214 1428635355 /nfs/dbraw/zinc/63/53/55/1428635355.db2.gz XJGBLWCBFUSIQR-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699112605 1412515809 /nfs/dbraw/zinc/51/58/09/1412515809.db2.gz MWMKZRKMBJSKTC-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001699113777 1412516493 /nfs/dbraw/zinc/51/64/93/1412516493.db2.gz YCWGNSVIXFFHMD-HNNXBMFYSA-N 2 0 340.471 3.241 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001699161218 1412544798 /nfs/dbraw/zinc/54/47/98/1412544798.db2.gz VPCFYFIVQABUNH-YLJYHZDGSA-N 2 0 345.531 3.108 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699185799 1412559097 /nfs/dbraw/zinc/55/90/97/1412559097.db2.gz DFAVZONZUOKOSQ-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699220125 1412585030 /nfs/dbraw/zinc/58/50/30/1412585030.db2.gz NBLHATCHYFJKGE-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1CCCC1)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699258617 1412601612 /nfs/dbraw/zinc/60/16/12/1412601612.db2.gz JCYZKHAOTXZKFQ-RURPWVQCSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)c1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001699293967 1412619372 /nfs/dbraw/zinc/61/93/72/1412619372.db2.gz HHBSGEOYZKZRSP-PRPIBZDOSA-N 2 0 343.515 3.056 10 0 EGAERP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CCC[NH+]1CCCCC1 ZINC001699468446 1412840589 /nfs/dbraw/zinc/84/05/89/1412840589.db2.gz ASZXDEVMVPIYQH-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001699474944 1412866680 /nfs/dbraw/zinc/86/66/80/1412866680.db2.gz YQWXKOJNRZDTTM-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001699483010 1412878051 /nfs/dbraw/zinc/87/80/51/1412878051.db2.gz NBTKUWUWZFGREW-MSOLQXFVSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699538487 1412912962 /nfs/dbraw/zinc/91/29/62/1412912962.db2.gz MMGYVPZJDMQWEB-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001699539857 1412913786 /nfs/dbraw/zinc/91/37/86/1412913786.db2.gz WAUMJTFCFQRYMQ-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001699554746 1412921668 /nfs/dbraw/zinc/92/16/68/1412921668.db2.gz YEUXMLVOXPOPAQ-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1)[NH+](CC)CC ZINC001699676039 1413069845 /nfs/dbraw/zinc/06/98/45/1413069845.db2.gz GQHJWVHLERMEHQ-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001699680484 1413074774 /nfs/dbraw/zinc/07/47/74/1413074774.db2.gz PXKXGUYXPYKLCX-YQQQUEKLSA-N 2 0 337.552 3.265 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[N@@H+](C)CCC ZINC001699682747 1413077473 /nfs/dbraw/zinc/07/74/73/1413077473.db2.gz RHKXEFMWZCBPGM-KAGICYHLSA-N 2 0 335.536 3.140 10 0 EGAERP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001699695107 1413103939 /nfs/dbraw/zinc/10/39/39/1413103939.db2.gz LAKUYOPAYGYZFR-QUCCMNQESA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001699696967 1413107800 /nfs/dbraw/zinc/10/78/00/1413107800.db2.gz HMBPUGJZGVZTBV-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001699741164 1413152002 /nfs/dbraw/zinc/15/20/02/1413152002.db2.gz SSOXYANZKOFSQI-DDRDIHNTSA-N 2 0 349.563 3.432 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001699766260 1413171068 /nfs/dbraw/zinc/17/10/68/1413171068.db2.gz DBFYWTVLVKYTQT-MOPGFXCFSA-N 2 0 331.504 3.059 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001699863997 1413299918 /nfs/dbraw/zinc/29/99/18/1413299918.db2.gz FGPTYQNWXNJHIT-AATRIKPKSA-N 2 0 349.563 3.293 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1CC ZINC001699935134 1413378037 /nfs/dbraw/zinc/37/80/37/1413378037.db2.gz YXVUJRZAMYNEHP-UXHICEINSA-N 2 0 345.531 3.280 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)CC2 ZINC001700106644 1413525382 /nfs/dbraw/zinc/52/53/82/1413525382.db2.gz QTCYRMNKLWYQRY-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001700109309 1413529068 /nfs/dbraw/zinc/52/90/68/1413529068.db2.gz GIXUMUZJUZQQDL-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001732557726 1428745969 /nfs/dbraw/zinc/74/59/69/1428745969.db2.gz MLHBTLOCJOMGTQ-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001700224929 1413676216 /nfs/dbraw/zinc/67/62/16/1413676216.db2.gz OBUMVJFHGGFLEG-IRXDYDNUSA-N 2 0 335.536 3.020 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001700229203 1413686252 /nfs/dbraw/zinc/68/62/52/1413686252.db2.gz ISGDJOYERGJZNT-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700289168 1413738614 /nfs/dbraw/zinc/73/86/14/1413738614.db2.gz AJFYHKUHGQVPAA-LIXSYLKWSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700289639 1413739483 /nfs/dbraw/zinc/73/94/83/1413739483.db2.gz TZIBVQAXTYLOMW-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001700291596 1413744786 /nfs/dbraw/zinc/74/47/86/1413744786.db2.gz IMVGBNHDWXKTFQ-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](CCC(C)C)CC2 ZINC001700333459 1413814363 /nfs/dbraw/zinc/81/43/63/1413814363.db2.gz WMAQNSXQYYITKD-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)=CC[NH+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001700359294 1413867682 /nfs/dbraw/zinc/86/76/82/1413867682.db2.gz KSZYVMDTKHXRMV-RTBURBONSA-N 2 0 335.536 3.138 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700361287 1413874855 /nfs/dbraw/zinc/87/48/55/1413874855.db2.gz BDHWENYIWLQLAS-XOUUWWQPSA-N 2 0 349.563 3.243 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700398042 1413931265 /nfs/dbraw/zinc/93/12/65/1413931265.db2.gz SQFWAXWULDWSKR-QZTJIDSGSA-N 2 0 345.531 3.242 10 0 EGAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001700436991 1414004656 /nfs/dbraw/zinc/00/46/56/1414004656.db2.gz XDCOJWXXCYCIGO-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCCC1CCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001700442711 1414015585 /nfs/dbraw/zinc/01/55/85/1414015585.db2.gz HTLYHQNNYAMDGJ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NC1(C[NH2+]CCC2CC2)CCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001700514909 1414165737 /nfs/dbraw/zinc/16/57/37/1414165737.db2.gz ZGPGTHFVQVARFJ-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1cccc(C)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700518840 1414173482 /nfs/dbraw/zinc/17/34/82/1414173482.db2.gz GMNGGUNWLCNAET-PMACEKPBSA-N 2 0 345.531 3.244 10 0 EGAERP CC[C@@H](F)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001700527107 1414190599 /nfs/dbraw/zinc/19/05/99/1414190599.db2.gz QURSFHNYLGEWMS-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCC2)C1 ZINC001700530639 1414197028 /nfs/dbraw/zinc/19/70/28/1414197028.db2.gz GIZFPJYEJPWKBG-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)cc1C ZINC001700714360 1414372695 /nfs/dbraw/zinc/37/26/95/1414372695.db2.gz ALWTXSHQNIZREL-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001700760154 1414432663 /nfs/dbraw/zinc/43/26/63/1414432663.db2.gz NRKLTJWRGNASDD-HKUYNNGSSA-N 2 0 345.531 3.449 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@@H]2[N@H+](CCCC2CCC2)CC3)CC1 ZINC001700864451 1414515338 /nfs/dbraw/zinc/51/53/38/1414515338.db2.gz RSLNSSAKLRYRPV-RXVVDRJESA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001700867600 1414519914 /nfs/dbraw/zinc/51/99/14/1414519914.db2.gz SIYYRRJXKFOSRS-RXVVDRJESA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001700946615 1414586574 /nfs/dbraw/zinc/58/65/74/1414586574.db2.gz ZEOBRHWYNHQJSU-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)CCC[NH+]1CCCCC1)C(C)(C)C ZINC001700999754 1414651533 /nfs/dbraw/zinc/65/15/33/1414651533.db2.gz BHCVQHYUUHYBPH-SFHVURJKSA-N 2 0 337.552 3.339 10 0 EGAERP CCC(CC)C[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001701013621 1414675282 /nfs/dbraw/zinc/67/52/82/1414675282.db2.gz RYWUWRQXSPVFNL-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CC=C(C)C)CC2)CC1)[NH+](CC)CC ZINC001701030493 1414692766 /nfs/dbraw/zinc/69/27/66/1414692766.db2.gz OALNPEDMICBYSJ-IBGZPJMESA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001701062413 1414718725 /nfs/dbraw/zinc/71/87/25/1414718725.db2.gz AQVRGKJMRPHCDQ-UYAOXDASSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001732605464 1428860396 /nfs/dbraw/zinc/86/03/96/1428860396.db2.gz IVHOYIDXWRDVQF-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001732695531 1428913889 /nfs/dbraw/zinc/91/38/89/1428913889.db2.gz SRENIBDJXCNCIB-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732774479 1428962380 /nfs/dbraw/zinc/96/23/80/1428962380.db2.gz FFRPOCAPTRTAOA-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CCc1ccc(C[NH2+]CCN(CC)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001732774545 1428961799 /nfs/dbraw/zinc/96/17/99/1428961799.db2.gz HGFFQLMBTGOUOY-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CCN(CC[NH2+]CC/C=C\c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732783083 1428967792 /nfs/dbraw/zinc/96/77/92/1428967792.db2.gz WBNOSMLVYIYSSO-HEFNWKINSA-N 2 0 343.515 3.012 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001732961919 1429085893 /nfs/dbraw/zinc/08/58/93/1429085893.db2.gz SFLFJSZXQOZPOD-QGZVFWFLSA-N 2 0 345.531 3.242 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001707122440 1417210174 /nfs/dbraw/zinc/21/01/74/1417210174.db2.gz AILPERRBXQXWLP-IHHMQQGQSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001707122454 1417210189 /nfs/dbraw/zinc/21/01/89/1417210189.db2.gz AILPERRBXQXWLP-UCFODXPJSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]2C1 ZINC001707221945 1417250986 /nfs/dbraw/zinc/25/09/86/1417250986.db2.gz CYIPEXXLEDIJFL-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001707232040 1417253830 /nfs/dbraw/zinc/25/38/30/1417253830.db2.gz BXJPMNVXQBQGEL-RBUKOAKNSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001707269241 1417275788 /nfs/dbraw/zinc/27/57/88/1417275788.db2.gz UOYRRUWSNCNSPN-MJGOQNOKSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1cccc(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001707277205 1417284325 /nfs/dbraw/zinc/28/43/25/1417284325.db2.gz WYJURRSIRPWLHS-FQEVSTJZSA-N 2 0 345.531 3.148 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@@H](C)c1cc(C)ccc1C ZINC001707443742 1417347821 /nfs/dbraw/zinc/34/78/21/1417347821.db2.gz VMMGZBCEVOOJOU-ICSRJNTNSA-N 2 0 345.531 3.287 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCC2(CC2)CC1)C1CC1 ZINC001707477621 1417375039 /nfs/dbraw/zinc/37/50/39/1417375039.db2.gz ZSHVPAVTIZQEJK-IBGZPJMESA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)CC2CC(C)(C)C2)c1 ZINC001712990888 1417542559 /nfs/dbraw/zinc/54/25/59/1417542559.db2.gz ILQNLKSZWJMPNB-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713064595 1417622975 /nfs/dbraw/zinc/62/29/75/1417622975.db2.gz ZPFGCRLTTWUNJL-VZSQWMKGSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713094590 1417643562 /nfs/dbraw/zinc/64/35/62/1417643562.db2.gz FLVXJWUWPTUATF-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713096442 1417646178 /nfs/dbraw/zinc/64/61/78/1417646178.db2.gz YMENPJVBFCEPFG-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001713168236 1417741793 /nfs/dbraw/zinc/74/17/93/1417741793.db2.gz BJAJJLLSFXTEPT-IYARVYRRSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C(C)C)CC[C@H]21 ZINC001713182511 1417756929 /nfs/dbraw/zinc/75/69/29/1417756929.db2.gz OGGMSIPEKKBRDR-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001713184639 1417760156 /nfs/dbraw/zinc/76/01/56/1417760156.db2.gz MISYLIJFBPTRAV-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713233382 1417819732 /nfs/dbraw/zinc/81/97/32/1417819732.db2.gz QKQFKEUMBNTQES-HPFMTEOYSA-N 2 0 335.536 3.045 10 0 EGAERP O=C(N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001713234881 1417821513 /nfs/dbraw/zinc/82/15/13/1417821513.db2.gz XEPROZXUTCRQQE-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001713239898 1417825552 /nfs/dbraw/zinc/82/55/52/1417825552.db2.gz ZWDHQPSCTBTNEI-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001713272414 1417887177 /nfs/dbraw/zinc/88/71/77/1417887177.db2.gz VMKQFBVTSRGSIY-MOPGFXCFSA-N 2 0 337.552 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001713414758 1418037991 /nfs/dbraw/zinc/03/79/91/1418037991.db2.gz LQAIHAJYTUUALA-IAGOWNOFSA-N 2 0 325.541 3.029 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001713423663 1418049781 /nfs/dbraw/zinc/04/97/81/1418049781.db2.gz ZDYWMOZMGCDFDR-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001713436621 1418067231 /nfs/dbraw/zinc/06/72/31/1418067231.db2.gz OMMKWYAZGWCMDL-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001733082745 1429235684 /nfs/dbraw/zinc/23/56/84/1429235684.db2.gz HOMCNUARRRWYSY-PMACEKPBSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001713510839 1418239301 /nfs/dbraw/zinc/23/93/01/1418239301.db2.gz HTOLRNDCXIKLGY-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001733109872 1429245870 /nfs/dbraw/zinc/24/58/70/1429245870.db2.gz KTDZZFVHNTWYRO-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713680589 1418432081 /nfs/dbraw/zinc/43/20/81/1418432081.db2.gz OTAIIGFCQNNLNE-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001713684031 1418436645 /nfs/dbraw/zinc/43/66/45/1418436645.db2.gz GUDULXKSCNHTIN-GOSISDBHSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1)[NH+](C)C ZINC001713700093 1418456881 /nfs/dbraw/zinc/45/68/81/1418456881.db2.gz AYCKCGFPXCDMOO-UXHICEINSA-N 2 0 343.515 3.274 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001713732001 1418520162 /nfs/dbraw/zinc/52/01/62/1418520162.db2.gz WPSKFQPMUGOAKS-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@H](C[N@H+](C)CCC2CCCCCC2)C1 ZINC001713756251 1418560048 /nfs/dbraw/zinc/56/00/48/1418560048.db2.gz RDHAHZOOIPXIHN-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CN(C(=O)CCc1c[nH]cn1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001713779932 1418595317 /nfs/dbraw/zinc/59/53/17/1418595317.db2.gz QELKTQSRVDTFSW-UHFFFAOYSA-N 2 0 346.519 3.236 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001713786069 1418602873 /nfs/dbraw/zinc/60/28/73/1418602873.db2.gz XLOQEGVAISUKBJ-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2cccc(C)c2)CC1 ZINC001713858256 1418655190 /nfs/dbraw/zinc/65/51/90/1418655190.db2.gz MVYPTUVDYZYSGQ-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713896140 1418693352 /nfs/dbraw/zinc/69/33/52/1418693352.db2.gz AZVNZBWLEZOTOT-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713896670 1418694527 /nfs/dbraw/zinc/69/45/27/1418694527.db2.gz JRGMMCWHRPLCCG-KKHYBRAUSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713974145 1418753702 /nfs/dbraw/zinc/75/37/02/1418753702.db2.gz ATQHXZPYMKVGHD-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC3CCCC3)CC[C@H]21 ZINC001713977652 1418758247 /nfs/dbraw/zinc/75/82/47/1418758247.db2.gz ILLVNFIEPNQFHI-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@@H]21 ZINC001713978383 1418759853 /nfs/dbraw/zinc/75/98/53/1418759853.db2.gz UTKHIYYQTJFDHA-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714021699 1418804223 /nfs/dbraw/zinc/80/42/23/1418804223.db2.gz OLSWMLSKJMRTBQ-DLBZAZTESA-N 2 0 349.494 3.151 10 0 EGAERP CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714040571 1418830059 /nfs/dbraw/zinc/83/00/59/1418830059.db2.gz RJKZSNXJUUWPLX-DLBZAZTESA-N 2 0 343.531 3.025 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001714049827 1418848231 /nfs/dbraw/zinc/84/82/31/1418848231.db2.gz LIMPEPGHXXLNGP-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714052816 1418851791 /nfs/dbraw/zinc/85/17/91/1418851791.db2.gz DBCHKYIPPFVVDT-HXUWFJFHSA-N 2 0 347.547 3.286 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714053781 1418852513 /nfs/dbraw/zinc/85/25/13/1418852513.db2.gz NIJGCLHCGSLQER-LPHOPBHVSA-N 2 0 349.494 3.150 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001714071581 1418866700 /nfs/dbraw/zinc/86/67/00/1418866700.db2.gz MIJAFPZGPMXZDW-SFHVURJKSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001714078042 1418872566 /nfs/dbraw/zinc/87/25/66/1418872566.db2.gz ABTLIKGUUJFIGL-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714079285 1418873462 /nfs/dbraw/zinc/87/34/62/1418873462.db2.gz HSEJVCRNTMMWQM-GFQMDTTRSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001714080343 1418874345 /nfs/dbraw/zinc/87/43/45/1418874345.db2.gz UKKVJMLBLZFXCN-WOJBJXKFSA-N 2 0 345.531 3.135 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092614 1418886489 /nfs/dbraw/zinc/88/64/89/1418886489.db2.gz AVTYWMYHOJYKJL-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001714116510 1418919156 /nfs/dbraw/zinc/91/91/56/1418919156.db2.gz NMYFUQOXCDDBNC-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714155722 1418965932 /nfs/dbraw/zinc/96/59/32/1418965932.db2.gz JURSPJOMXWEKDH-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]CC1=CCCCC1)C1CC1)CC(C)(C)C ZINC001714171810 1418979644 /nfs/dbraw/zinc/97/96/44/1418979644.db2.gz JQZOLJMUGRKTFF-NRFANRHFSA-N 2 0 349.563 3.339 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714187092 1418994213 /nfs/dbraw/zinc/99/42/13/1418994213.db2.gz GSGFEENEZYCFTD-JVSUKQCGSA-N 2 0 335.536 3.233 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001714201799 1419005860 /nfs/dbraw/zinc/00/58/60/1419005860.db2.gz YHOJAJAHAXCKCM-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCCC1 ZINC001714235079 1419025608 /nfs/dbraw/zinc/02/56/08/1419025608.db2.gz HOMAKJQBJLCCJW-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCCC1 ZINC001714235081 1419025672 /nfs/dbraw/zinc/02/56/72/1419025672.db2.gz HOMAKJQBJLCCJW-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001714271310 1419052114 /nfs/dbraw/zinc/05/21/14/1419052114.db2.gz KNRACTGWLJLZJT-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001714302790 1419082844 /nfs/dbraw/zinc/08/28/44/1419082844.db2.gz LIHXMGRFTHULMT-KZNAEPCWSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001714302789 1419082908 /nfs/dbraw/zinc/08/29/08/1419082908.db2.gz LIHXMGRFTHULMT-BZSNNMDCSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714410576 1419149902 /nfs/dbraw/zinc/14/99/02/1419149902.db2.gz GWAHOTSOCYZULM-NYQZOWANSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714516892 1419243473 /nfs/dbraw/zinc/24/34/73/1419243473.db2.gz JIEWZCFTYOBEIR-LOKQZNEXSA-N 2 0 347.547 3.045 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C)cc1C ZINC001714586229 1419328209 /nfs/dbraw/zinc/32/82/09/1419328209.db2.gz IGKDBJHIAHIROG-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714641080 1419412794 /nfs/dbraw/zinc/41/27/94/1419412794.db2.gz UQHCYZZNUBEJOK-PXNSSMCTSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714811329 1419522501 /nfs/dbraw/zinc/52/25/01/1419522501.db2.gz HAMFNNNGIFLTMM-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1)[NH+](CC)CC ZINC001714814300 1419525350 /nfs/dbraw/zinc/52/53/50/1419525350.db2.gz VOOMPDGDLUITCI-IEBWSBKVSA-N 2 0 337.552 3.290 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001714819201 1419529528 /nfs/dbraw/zinc/52/95/28/1419529528.db2.gz XSEQTTXNFJCLOK-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1CC1 ZINC001714827733 1419537337 /nfs/dbraw/zinc/53/73/37/1419537337.db2.gz HPVZUTQQIQOTHV-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714872422 1419603402 /nfs/dbraw/zinc/60/34/02/1419603402.db2.gz APONQFDBHUIKIA-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001714946305 1419689568 /nfs/dbraw/zinc/68/95/68/1419689568.db2.gz YAUOLTMMTKXHDT-FQEVSTJZSA-N 2 0 345.531 3.020 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCCC2)C1 ZINC001714995986 1419728598 /nfs/dbraw/zinc/72/85/98/1419728598.db2.gz CTKPDGXXRLYTCR-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001715048590 1419789811 /nfs/dbraw/zinc/78/98/11/1419789811.db2.gz VHFKOLZBYQGLQV-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001715051634 1419792955 /nfs/dbraw/zinc/79/29/55/1419792955.db2.gz KMNKZKMORAEOOX-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001715094494 1419835227 /nfs/dbraw/zinc/83/52/27/1419835227.db2.gz PMZAPCYKRZLJMN-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001715159835 1419901357 /nfs/dbraw/zinc/90/13/57/1419901357.db2.gz WBOUUGNYUYZFDK-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001715177639 1419912759 /nfs/dbraw/zinc/91/27/59/1419912759.db2.gz UZTGYAZFMHLARH-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001715256829 1419979263 /nfs/dbraw/zinc/97/92/63/1419979263.db2.gz OTZSPKQMHCJRCC-ROUUACIJSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001715307910 1420017015 /nfs/dbraw/zinc/01/70/15/1420017015.db2.gz SVUDRGUAKIPJBE-QGZVFWFLSA-N 2 0 345.531 3.427 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715323050 1420030736 /nfs/dbraw/zinc/03/07/36/1420030736.db2.gz QYSKFKCUYNRRIC-ICSRJNTNSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001715364648 1420061868 /nfs/dbraw/zinc/06/18/68/1420061868.db2.gz DAEIJDHHKWQDLW-DLBZAZTESA-N 2 0 349.494 3.027 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001715425625 1420116074 /nfs/dbraw/zinc/11/60/74/1420116074.db2.gz ZPTNKEKWKGSZPN-XOIGSVRCSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001715438233 1420123807 /nfs/dbraw/zinc/12/38/07/1420123807.db2.gz OEVSULQXNDBSLR-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001715455160 1420136844 /nfs/dbraw/zinc/13/68/44/1420136844.db2.gz KTZCQHCHDLTKKH-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001715458804 1420139263 /nfs/dbraw/zinc/13/92/63/1420139263.db2.gz CZYYVRSNBLTCLP-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCC1 ZINC001715494524 1420175995 /nfs/dbraw/zinc/17/59/95/1420175995.db2.gz MVZHONHZWKWOSK-QUCCMNQESA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C(C)C ZINC001715495427 1420176544 /nfs/dbraw/zinc/17/65/44/1420176544.db2.gz YVXYSUFKWQKKRH-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C(C)C ZINC001715495428 1420176553 /nfs/dbraw/zinc/17/65/53/1420176553.db2.gz YVXYSUFKWQKKRH-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C(C)C)C1 ZINC001715506591 1420189899 /nfs/dbraw/zinc/18/98/99/1420189899.db2.gz MGBATUDASNPSKM-PMACEKPBSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001715538156 1420234818 /nfs/dbraw/zinc/23/48/18/1420234818.db2.gz XNPIHEDYHGHDEJ-MJGOQNOKSA-N 2 0 333.520 3.095 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001733759303 1429973498 /nfs/dbraw/zinc/97/34/98/1429973498.db2.gz FUVHWKANZAOCKY-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001715811059 1420352108 /nfs/dbraw/zinc/35/21/08/1420352108.db2.gz BVJGTTPOQSGOQO-MITRTKIPSA-N 2 0 343.515 3.273 10 0 EGAERP CC[C@H]([NH2+]C/C=C/CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715845440 1420366113 /nfs/dbraw/zinc/36/61/13/1420366113.db2.gz URJFAKNOXCRXIK-GHOSXJJBSA-N 2 0 341.499 3.028 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715921290 1420398649 /nfs/dbraw/zinc/39/86/49/1420398649.db2.gz DQKYTNFRPVKHAL-QGZVFWFLSA-N 2 0 331.504 3.012 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715932570 1420404654 /nfs/dbraw/zinc/40/46/54/1420404654.db2.gz LSEHXEOQXNEUMV-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001715978097 1420438170 /nfs/dbraw/zinc/43/81/70/1420438170.db2.gz VIIJYZDLXCXVOB-QGKOQGRUSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001716022710 1420478111 /nfs/dbraw/zinc/47/81/11/1420478111.db2.gz FLMWVSYNXQFZIR-OAHLLOKOSA-N 2 0 339.911 3.131 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001716069146 1420526335 /nfs/dbraw/zinc/52/63/35/1420526335.db2.gz JFGMMOCZOSUADF-VQTJNVASSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716140691 1420539428 /nfs/dbraw/zinc/53/94/28/1420539428.db2.gz ZOQGULVIUISNFR-QZTJIDSGSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001716168684 1420548949 /nfs/dbraw/zinc/54/89/49/1420548949.db2.gz QMVCETYAJZXMLB-UYAOXDASSA-N 2 0 345.531 3.101 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001716414885 1420644193 /nfs/dbraw/zinc/64/41/93/1420644193.db2.gz WRSVLBXXDPIKHM-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716455124 1420670065 /nfs/dbraw/zinc/67/00/65/1420670065.db2.gz PPDNMMQWSFPOEZ-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001716455206 1420670117 /nfs/dbraw/zinc/67/01/17/1420670117.db2.gz RYQPRRQFIFHABV-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716497880 1420723111 /nfs/dbraw/zinc/72/31/11/1420723111.db2.gz OXVMLPCVYRXSKB-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001716567382 1420762782 /nfs/dbraw/zinc/76/27/82/1420762782.db2.gz QJICQZDAJFWPAE-KRWDZBQOSA-N 2 0 333.520 3.164 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001716624655 1420785421 /nfs/dbraw/zinc/78/54/21/1420785421.db2.gz BQKRDXLMAWVRNQ-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733272063 1429434798 /nfs/dbraw/zinc/43/47/98/1429434798.db2.gz GCKNPFNRFQHLBH-WIKPNOFVSA-N 2 0 347.547 3.186 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001716653947 1420807897 /nfs/dbraw/zinc/80/78/97/1420807897.db2.gz SBNUXMUMOWQGMO-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001716712223 1420865061 /nfs/dbraw/zinc/86/50/61/1420865061.db2.gz APXRUXGSQHTOIK-YMHTTXFNSA-N 2 0 335.536 3.138 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001716733206 1420892072 /nfs/dbraw/zinc/89/20/72/1420892072.db2.gz BEEJAUBAPZLYHA-PZJWPPBQSA-N 2 0 349.563 3.366 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001716829882 1420956072 /nfs/dbraw/zinc/95/60/72/1420956072.db2.gz FFGNCFDJXAUUCV-NGXITPROSA-N 2 0 349.563 3.389 10 0 EGAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716880771 1421005267 /nfs/dbraw/zinc/00/52/67/1421005267.db2.gz TUCVVAJDWPVNGZ-PZJWPPBQSA-N 2 0 345.531 3.308 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001716889061 1421012996 /nfs/dbraw/zinc/01/29/96/1421012996.db2.gz VNBQRVWLTFWBIL-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC001716902190 1421034824 /nfs/dbraw/zinc/03/48/24/1421034824.db2.gz YQXDMCSWVDQHRT-OAQYLSRUSA-N 2 0 345.531 3.137 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC(C)(C)C1)C2 ZINC001716951794 1421047984 /nfs/dbraw/zinc/04/79/84/1421047984.db2.gz OFEABZSAPLCOEX-UHOSZYNNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001716968690 1421056309 /nfs/dbraw/zinc/05/63/09/1421056309.db2.gz DMOLBNRGCZPOBU-MSOLQXFVSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717036871 1421090769 /nfs/dbraw/zinc/09/07/69/1421090769.db2.gz HEMVJZYMGHSVMN-QZTJIDSGSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001717096931 1421108506 /nfs/dbraw/zinc/10/85/06/1421108506.db2.gz KXMWJEZJMCRAPB-SXLOBPIMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111360 1421115078 /nfs/dbraw/zinc/11/50/78/1421115078.db2.gz QWWAORPXTLDQBH-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001717152993 1421143624 /nfs/dbraw/zinc/14/36/24/1421143624.db2.gz LDZMSUKJHOSODQ-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001717201372 1421169102 /nfs/dbraw/zinc/16/91/02/1421169102.db2.gz ANYPQQRZMSGXJI-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001733287344 1429462488 /nfs/dbraw/zinc/46/24/88/1429462488.db2.gz DEZILUGQYQOWOY-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001717240034 1421208374 /nfs/dbraw/zinc/20/83/74/1421208374.db2.gz IAOFCERFXQMSEN-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)CC1(C)C ZINC001717312597 1421258235 /nfs/dbraw/zinc/25/82/35/1421258235.db2.gz XRSATBFNKSBWCD-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001717341772 1421279200 /nfs/dbraw/zinc/27/92/00/1421279200.db2.gz LQGVSHBXFITQMA-LNLFQRSKSA-N 2 0 331.504 3.025 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001717369567 1421307105 /nfs/dbraw/zinc/30/71/05/1421307105.db2.gz OFRPJZQMZQBHLH-SLVIYJBESA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CCC2CCCCC2)C1 ZINC001717370149 1421308283 /nfs/dbraw/zinc/30/82/83/1421308283.db2.gz CDQRFSDALUVKFI-UYAOXDASSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001717424558 1421353812 /nfs/dbraw/zinc/35/38/12/1421353812.db2.gz HMPNYGXJQBEAOO-JKSUJKDBSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001717433370 1421361459 /nfs/dbraw/zinc/36/14/59/1421361459.db2.gz SLJKNEAHZJOPAS-ZWKOTPCHSA-N 2 0 349.563 3.480 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717448510 1421378529 /nfs/dbraw/zinc/37/85/29/1421378529.db2.gz NJRDICMMKDDRJQ-WAYWQWQTSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CCCCCC1 ZINC001717472088 1421405290 /nfs/dbraw/zinc/40/52/90/1421405290.db2.gz IFMUQODWKVIXSE-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717476458 1421410299 /nfs/dbraw/zinc/41/02/99/1421410299.db2.gz MWEUOGCGKPLKDT-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001717500476 1421443953 /nfs/dbraw/zinc/44/39/53/1421443953.db2.gz TWVSUDVJPWBMQC-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001717538668 1421477389 /nfs/dbraw/zinc/47/73/89/1421477389.db2.gz LKAKDHBAESCNLP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001717542891 1421483616 /nfs/dbraw/zinc/48/36/16/1421483616.db2.gz NUZBJYLVXMXAFQ-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001717551367 1421488988 /nfs/dbraw/zinc/48/89/88/1421488988.db2.gz RDLARHIHWSMDKI-FXAWDEMLSA-N 2 0 347.547 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@H](C)CC(C)C)C1 ZINC001717652672 1421552182 /nfs/dbraw/zinc/55/21/82/1421552182.db2.gz QRBRFPGGFKHFAC-MKXGPGLRSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001717700756 1421573440 /nfs/dbraw/zinc/57/34/40/1421573440.db2.gz FWNUBLHHSBHSKQ-UHFFFAOYSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001717704690 1421579071 /nfs/dbraw/zinc/57/90/71/1421579071.db2.gz RKPAHBXYNVAOSC-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H]([NH2+]CC=C(C)C)C[C@@H]2C)o1 ZINC001717830195 1421643103 /nfs/dbraw/zinc/64/31/03/1421643103.db2.gz OXKKCSCHRDUXLH-IRXDYDNUSA-N 2 0 347.503 3.280 10 0 EGAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001717836247 1421649790 /nfs/dbraw/zinc/64/97/90/1421649790.db2.gz GZCVFQNMLIEQIV-FXAWDEMLSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1CCCCC1)CC2 ZINC001717843436 1421658477 /nfs/dbraw/zinc/65/84/77/1421658477.db2.gz XVOWCMHFWCNXGX-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001717861987 1421674617 /nfs/dbraw/zinc/67/46/17/1421674617.db2.gz DBQRNCUFCCSKDD-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+][C@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC001717900702 1421697444 /nfs/dbraw/zinc/69/74/44/1421697444.db2.gz OGPFNYXYLYYLHF-IBGZPJMESA-N 2 0 345.531 3.031 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1(C)C ZINC001717902657 1421698752 /nfs/dbraw/zinc/69/87/52/1421698752.db2.gz CKIDPWPKOAOIDO-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001717905290 1421701083 /nfs/dbraw/zinc/70/10/83/1421701083.db2.gz PGBNHRREAQKDFV-FAPWYTRCSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001717962664 1421733878 /nfs/dbraw/zinc/73/38/78/1421733878.db2.gz KFQCNRJHMDHKCZ-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C)c1 ZINC001717963122 1421734364 /nfs/dbraw/zinc/73/43/64/1421734364.db2.gz OZDSEGILHKMCSG-OALUTQOASA-N 2 0 345.531 3.100 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001717966092 1421738080 /nfs/dbraw/zinc/73/80/80/1421738080.db2.gz BVXLJNIAXDHRSZ-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717979089 1421750127 /nfs/dbraw/zinc/75/01/27/1421750127.db2.gz VPWOWZTXNOQNSU-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001717980543 1421751998 /nfs/dbraw/zinc/75/19/98/1421751998.db2.gz BGFOLZFJJJFETH-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733449687 1429660863 /nfs/dbraw/zinc/66/08/63/1429660863.db2.gz CRPAUGPNHARQGN-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+](CC)CC ZINC001733460509 1429685299 /nfs/dbraw/zinc/68/52/99/1429685299.db2.gz CHOLUFHJOUAZGV-UYAOXDASSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001722939604 1424266725 /nfs/dbraw/zinc/26/67/25/1424266725.db2.gz NCXXUQXEIYKOKH-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001722945858 1424272426 /nfs/dbraw/zinc/27/24/26/1424272426.db2.gz RYTPUEVNNRHHEV-RTBURBONSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001722951173 1424273618 /nfs/dbraw/zinc/27/36/18/1424273618.db2.gz BJIQWRGJFAWXGD-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001723088239 1424298840 /nfs/dbraw/zinc/29/88/40/1424298840.db2.gz QHEWPRSUYQTPAM-MRXNPFEDSA-N 2 0 349.494 3.199 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@H](CC)C1 ZINC001723388165 1424382755 /nfs/dbraw/zinc/38/27/55/1424382755.db2.gz ZHIRDKJGNAMXJJ-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CC1)[NH+](CC)CC ZINC001723558628 1424464298 /nfs/dbraw/zinc/46/42/98/1424464298.db2.gz QBXDKJAMDVDAIE-RBUKOAKNSA-N 2 0 343.515 3.033 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001723677787 1424525182 /nfs/dbraw/zinc/52/51/82/1424525182.db2.gz AEEYCBGYXJUJMT-PXODQFSGSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723720795 1424546395 /nfs/dbraw/zinc/54/63/95/1424546395.db2.gz DYONNEJOGQIZSC-NJRZHNRPSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723855169 1424585985 /nfs/dbraw/zinc/58/59/85/1424585985.db2.gz DXJRWCCLSOJMPB-HKUYNNGSSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C[C@H]1C ZINC001723873837 1424593888 /nfs/dbraw/zinc/59/38/88/1424593888.db2.gz JGXIAIUTMOCXMC-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001723929037 1424606489 /nfs/dbraw/zinc/60/64/89/1424606489.db2.gz KNKVCGDBKLDQQA-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001723950293 1424610243 /nfs/dbraw/zinc/61/02/43/1424610243.db2.gz WPMCCNRKSFXWJX-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733537738 1429744034 /nfs/dbraw/zinc/74/40/34/1429744034.db2.gz WQJGNIJJUJNQAF-KJYWSYJISA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CCCC2)C1 ZINC001724104139 1424666320 /nfs/dbraw/zinc/66/63/20/1424666320.db2.gz VHTLRFFQRFUTEX-QFBILLFUSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724125563 1424676435 /nfs/dbraw/zinc/67/64/35/1424676435.db2.gz GSBAWTDQPMVFOG-FQEVSTJZSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001733540227 1429746300 /nfs/dbraw/zinc/74/63/00/1429746300.db2.gz QDHCJQLHDJVNBL-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001724162181 1424698369 /nfs/dbraw/zinc/69/83/69/1424698369.db2.gz NHDBNLBQFAXWRP-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](C[C@H](C)CC)CC1 ZINC001724294705 1424779659 /nfs/dbraw/zinc/77/96/59/1424779659.db2.gz WBUHYQAZUYHIHV-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@H](C)CC)CC1 ZINC001724294704 1424780059 /nfs/dbraw/zinc/78/00/59/1424780059.db2.gz WBUHYQAZUYHIHV-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@@H](C[NH2+]CC(C)C)C2)o1 ZINC001733557969 1429756010 /nfs/dbraw/zinc/75/60/10/1429756010.db2.gz GBVFOASLHMLHQI-IRXDYDNUSA-N 2 0 349.519 3.075 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CCC2=CCCCC2)C1 ZINC001724340210 1424833433 /nfs/dbraw/zinc/83/34/33/1424833433.db2.gz HNNYWAQNHRKZBD-OAQYLSRUSA-N 2 0 349.563 3.437 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512325 1424889649 /nfs/dbraw/zinc/88/96/49/1424889649.db2.gz ROGHWVPIISZZBF-UXHICEINSA-N 2 0 345.531 3.279 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)C2 ZINC001733562967 1429761508 /nfs/dbraw/zinc/76/15/08/1429761508.db2.gz HQJYUTPPGOBQIB-LJDSDSDDSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724532951 1424897729 /nfs/dbraw/zinc/89/77/29/1424897729.db2.gz GIZZYFHUNMDKJP-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001724558882 1424913003 /nfs/dbraw/zinc/91/30/03/1424913003.db2.gz LDYHTKYRUARDFE-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001724612479 1424954750 /nfs/dbraw/zinc/95/47/50/1424954750.db2.gz FGTVZXQVMZWFGI-AKHDSKFASA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001724646359 1425001751 /nfs/dbraw/zinc/00/17/51/1425001751.db2.gz ALSLYJVZLCDRLF-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001724728427 1425079595 /nfs/dbraw/zinc/07/95/95/1425079595.db2.gz NTSAQUWQJRDXHY-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001724742973 1425110719 /nfs/dbraw/zinc/11/07/19/1425110719.db2.gz DKZVSSAZVJFACH-IAGOWNOFSA-N 2 0 331.504 3.238 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC001724750166 1425120162 /nfs/dbraw/zinc/12/01/62/1425120162.db2.gz RHPWGIWULSHTGO-LPHOPBHVSA-N 2 0 349.494 3.043 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724753113 1425123280 /nfs/dbraw/zinc/12/32/80/1425123280.db2.gz YACDOTJINOZQNT-SFHVURJKSA-N 2 0 343.515 3.156 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001724788142 1425154648 /nfs/dbraw/zinc/15/46/48/1425154648.db2.gz KLKIHVMGJLWGMC-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001724851729 1425216150 /nfs/dbraw/zinc/21/61/50/1425216150.db2.gz LIIPYWZXIHAQAN-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001724886201 1425269782 /nfs/dbraw/zinc/26/97/82/1425269782.db2.gz YKTYUEXEIHIYGW-WARJXXDVSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)[C@@H](C)C1 ZINC001724997288 1425403653 /nfs/dbraw/zinc/40/36/53/1425403653.db2.gz AREZECCUTVHCQL-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)CC[NH+](C)C)CC2)CC1 ZINC001725018571 1425436372 /nfs/dbraw/zinc/43/63/72/1425436372.db2.gz WWJPUJKSESDCPG-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001725027547 1425448426 /nfs/dbraw/zinc/44/84/26/1425448426.db2.gz SLEDWRWPPPWOHD-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001725041313 1425466860 /nfs/dbraw/zinc/46/68/60/1425466860.db2.gz JDZSXFKQWCLKTR-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001725051068 1425483827 /nfs/dbraw/zinc/48/38/27/1425483827.db2.gz BYNBTQYBUUXKLD-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CC[C@@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1)[NH+](CC)CC ZINC001725055231 1425490312 /nfs/dbraw/zinc/49/03/12/1425490312.db2.gz JCFPUWFRNDNJQQ-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001725056738 1425495491 /nfs/dbraw/zinc/49/54/91/1425495491.db2.gz VCWPKRMDMIMZJW-XOUUWWQPSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725092506 1425534361 /nfs/dbraw/zinc/53/43/61/1425534361.db2.gz DAJWWYFSERZCAX-CABCVRRESA-N 2 0 330.476 3.319 10 0 EGAERP Cc1cccc(C[NH2+][C@H](CCN(C)C(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001725214629 1425778887 /nfs/dbraw/zinc/77/88/87/1425778887.db2.gz QTYBECQMHFYZAE-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001725227992 1425797239 /nfs/dbraw/zinc/79/72/39/1425797239.db2.gz DNXRHHXHYHHQNR-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725390639 1426037186 /nfs/dbraw/zinc/03/71/86/1426037186.db2.gz AZPZPDJCDKTPRK-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001725403550 1426047729 /nfs/dbraw/zinc/04/77/29/1426047729.db2.gz BUHREOKKPNCXFL-MSOLQXFVSA-N 2 0 345.531 3.354 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001725420519 1426069116 /nfs/dbraw/zinc/06/91/16/1426069116.db2.gz NTLQZGJZPQVRRB-RBUKOAKNSA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725451939 1426117277 /nfs/dbraw/zinc/11/72/77/1426117277.db2.gz JUUODAOYHAUZLE-UYAOXDASSA-N 2 0 349.563 3.124 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001725457344 1426123869 /nfs/dbraw/zinc/12/38/69/1426123869.db2.gz WJJLWEAPRLRNBC-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCC2CCCC2)CC3)CC1 ZINC001725606886 1426263909 /nfs/dbraw/zinc/26/39/09/1426263909.db2.gz AOWWOBHPAAYRKA-GHTZIAJQSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001725622657 1426288013 /nfs/dbraw/zinc/28/80/13/1426288013.db2.gz HVYUAEIKHNETNI-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001725628077 1426295325 /nfs/dbraw/zinc/29/53/25/1426295325.db2.gz LNWXEHLSBXDZLW-TZIWHRDSSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC(C)(C)C)CC2 ZINC001725629348 1426296714 /nfs/dbraw/zinc/29/67/14/1426296714.db2.gz MQJYPAAPKDPMFC-FXAWDEMLSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001725629620 1426297271 /nfs/dbraw/zinc/29/72/71/1426297271.db2.gz NCAITGSFSCSWGA-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001725667222 1426349915 /nfs/dbraw/zinc/34/99/15/1426349915.db2.gz XUWYZTWSQGJFDD-IAGOWNOFSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001725669153 1426352515 /nfs/dbraw/zinc/35/25/15/1426352515.db2.gz IMLYIYAOUVFIDW-LKGOPFMKSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680147 1426367918 /nfs/dbraw/zinc/36/79/18/1426367918.db2.gz MLRPUFSBOLIWIJ-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)Cc1cccc(C)c1)C(C)C)[NH+](C)C ZINC001725730091 1426398909 /nfs/dbraw/zinc/39/89/09/1426398909.db2.gz PVFDJOLQFJYOOF-IBGZPJMESA-N 2 0 333.520 3.004 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCC1)C(C)(C)C ZINC001725759405 1426439451 /nfs/dbraw/zinc/43/94/51/1426439451.db2.gz WKKYPHCAGUKEKM-QGZVFWFLSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295521 1427237869 /nfs/dbraw/zinc/23/78/69/1427237869.db2.gz DWUGIKLDOPBUQW-WMZOPIPTSA-N 2 0 337.552 3.122 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001731341743 1427279941 /nfs/dbraw/zinc/27/99/41/1427279941.db2.gz AYONPDYNLZOIDB-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001731378813 1427314808 /nfs/dbraw/zinc/31/48/08/1427314808.db2.gz RYQXFNNWOUZUOO-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(NC[C@@H]([NH2+]CCC1CC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731403379 1427364395 /nfs/dbraw/zinc/36/43/95/1427364395.db2.gz VEKNVGWQSNXNQR-WOJBJXKFSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731414503 1427383227 /nfs/dbraw/zinc/38/32/27/1427383227.db2.gz PZJPXIHLVJBBPQ-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731457541 1427433601 /nfs/dbraw/zinc/43/36/01/1427433601.db2.gz NBHSDTIMMJTLIG-OISZBXDOSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001731484385 1427459701 /nfs/dbraw/zinc/45/97/01/1427459701.db2.gz AGGYYSYFDKUBPV-JEWRLFTDSA-N 2 0 349.494 3.244 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)CC(C)(C)C ZINC001731487040 1427461857 /nfs/dbraw/zinc/46/18/57/1427461857.db2.gz ZPHLLKZTPKKHEQ-HDICACEKSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001731538188 1427538230 /nfs/dbraw/zinc/53/82/30/1427538230.db2.gz KNYKNGHQEIFCHX-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001731549266 1427566744 /nfs/dbraw/zinc/56/67/44/1427566744.db2.gz MKCPPBXPOIGGOB-WOJBJXKFSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001731555031 1427580016 /nfs/dbraw/zinc/58/00/16/1427580016.db2.gz QFCZAXGENDZBLT-MJGOQNOKSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692942 1427741658 /nfs/dbraw/zinc/74/16/58/1427741658.db2.gz QCLQGPINRPAYOM-MOPGFXCFSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CC3)C2)CCCCC1 ZINC001731697158 1427747867 /nfs/dbraw/zinc/74/78/67/1427747867.db2.gz GCCFRYXTKUKOCT-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001731714250 1427776989 /nfs/dbraw/zinc/77/69/89/1427776989.db2.gz LIFJIWLNORKKGQ-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001731715029 1427777876 /nfs/dbraw/zinc/77/78/76/1427777876.db2.gz OJFLTXJOCKZVLV-MYQPPDNISA-N 2 0 337.552 3.242 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001731754889 1427854154 /nfs/dbraw/zinc/85/41/54/1427854154.db2.gz DVUZSVRBAIGESE-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[N@H+](C)CCNC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001731796005 1427949444 /nfs/dbraw/zinc/94/94/44/1427949444.db2.gz NLDHTSXCRYFOHA-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1c(C)cccc1C ZINC001731815196 1428008411 /nfs/dbraw/zinc/00/84/11/1428008411.db2.gz ABESRDBVHNHMCC-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731843344 1428067056 /nfs/dbraw/zinc/06/70/56/1428067056.db2.gz VZAGDUPXWUWBEB-KAGICYHLSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CC(C)(C)C1 ZINC001731870295 1428125561 /nfs/dbraw/zinc/12/55/61/1428125561.db2.gz WVZTUFUKSPIRGA-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001731885540 1428160932 /nfs/dbraw/zinc/16/09/32/1428160932.db2.gz PRGBBNVKVCGOSU-QZTJIDSGSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c2cc(C)ccc2C)CC[N@@H+]1C ZINC001731913716 1428169086 /nfs/dbraw/zinc/16/90/86/1428169086.db2.gz RTNMSAIGVBBGMX-CMKODMSKSA-N 2 0 345.531 3.143 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001731962581 1428185044 /nfs/dbraw/zinc/18/50/44/1428185044.db2.gz XLZDDIJEOJMZSA-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001733577911 1429781116 /nfs/dbraw/zinc/78/11/16/1429781116.db2.gz IFAOFZXDYWGIHZ-DVMSICGOSA-N 2 0 349.563 3.101 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2C[C@@H](C)CC(C)C ZINC001733598537 1429797547 /nfs/dbraw/zinc/79/75/47/1429797547.db2.gz HFJLBZCTUFGNOS-IPMKNSEASA-N 2 0 337.552 3.076 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001733601302 1429806350 /nfs/dbraw/zinc/80/63/50/1429806350.db2.gz HVISVAJXDVMIGJ-PMACEKPBSA-N 2 0 347.547 3.118 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001733682842 1429896268 /nfs/dbraw/zinc/89/62/68/1429896268.db2.gz AHFFNHNMLUXNBE-QGZVFWFLSA-N 2 0 339.483 3.105 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001733692166 1429909246 /nfs/dbraw/zinc/90/92/46/1429909246.db2.gz UYEBBAMSZATISX-GUDVDZBRSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001733763386 1429981298 /nfs/dbraw/zinc/98/12/98/1429981298.db2.gz JNJFBFBQTFDMOM-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC(C)(C)C)CC1 ZINC001733768793 1429994657 /nfs/dbraw/zinc/99/46/57/1429994657.db2.gz KGYKFIHNTFEMMM-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001733783053 1430051036 /nfs/dbraw/zinc/05/10/36/1430051036.db2.gz VQOFPEMPROHPAA-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001733864883 1437692960 /nfs/dbraw/zinc/69/29/60/1437692960.db2.gz ZLLQELCINMEBIU-QZTJIDSGSA-N 2 0 335.536 3.164 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733938427 1437754449 /nfs/dbraw/zinc/75/44/49/1437754449.db2.gz PZYOUKLIKYESRH-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001733994672 1437788984 /nfs/dbraw/zinc/78/89/84/1437788984.db2.gz UFVLEOKBVOELIQ-DLBZAZTESA-N 2 0 339.483 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009087 1437800622 /nfs/dbraw/zinc/80/06/22/1437800622.db2.gz QMQRVPFAPCZAEN-HZPDHXFCSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)CC1CCCC1 ZINC001734042523 1437830893 /nfs/dbraw/zinc/83/08/93/1437830893.db2.gz HRXRWPLCHOGMOH-MRXNPFEDSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCC1CCCCCC1 ZINC001734048259 1437837488 /nfs/dbraw/zinc/83/74/88/1437837488.db2.gz UDMCEIZLLPPGSR-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001734082432 1437869329 /nfs/dbraw/zinc/86/93/29/1437869329.db2.gz MAZUSXQFADBGCM-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CCCCC1 ZINC001734103438 1437888694 /nfs/dbraw/zinc/88/86/94/1437888694.db2.gz JTTXGSYAYPJLNJ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001734131961 1437907836 /nfs/dbraw/zinc/90/78/36/1437907836.db2.gz YZTCIUBYNQJGPE-FXAWDEMLSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001734150397 1437917921 /nfs/dbraw/zinc/91/79/21/1437917921.db2.gz QKRNSXWLFYMEAV-IEBWSBKVSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001734197273 1437938499 /nfs/dbraw/zinc/93/84/99/1437938499.db2.gz OOECGPWKAYBJHT-ZBTAVZRMSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001734197271 1437938544 /nfs/dbraw/zinc/93/85/44/1437938544.db2.gz OOECGPWKAYBJHT-YXBWYFRISA-N 2 0 349.563 3.388 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001734218389 1437947018 /nfs/dbraw/zinc/94/70/18/1437947018.db2.gz HHWLPBISJXFYGJ-GUDVDZBRSA-N 2 0 345.531 3.191 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCCC1 ZINC001734327670 1438052158 /nfs/dbraw/zinc/05/21/58/1438052158.db2.gz ZBIPLDJPCNJZIV-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001734346030 1438065394 /nfs/dbraw/zinc/06/53/94/1438065394.db2.gz IRUPLCZWLIEDFO-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1C ZINC001734403762 1438083950 /nfs/dbraw/zinc/08/39/50/1438083950.db2.gz IBJLHYOALXTXGY-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001734458366 1438116036 /nfs/dbraw/zinc/11/60/36/1438116036.db2.gz KUAUQFAMKATDAP-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001734460093 1438117163 /nfs/dbraw/zinc/11/71/63/1438117163.db2.gz OEURNIYYNFAASZ-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CC1 ZINC001734572154 1438165634 /nfs/dbraw/zinc/16/56/34/1438165634.db2.gz VETAGXWFEKIFRI-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001734576425 1438169573 /nfs/dbraw/zinc/16/95/73/1438169573.db2.gz OBBHMZZMWOYIRV-IRXDYDNUSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001734584943 1438175354 /nfs/dbraw/zinc/17/53/54/1438175354.db2.gz VPWOWZTXNOQNSU-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP O[C@@H](C[NH+]1CCC(C[NH2+]C[C@@H]2CC=CCC2)CC1)c1ccccc1 ZINC000178922336 232609856 /nfs/dbraw/zinc/60/98/56/232609856.db2.gz QGKNDPCWZYNCCB-NQIIRXRSSA-N 2 0 328.500 3.378 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)[nH+]1 ZINC000092813424 218169781 /nfs/dbraw/zinc/16/97/81/218169781.db2.gz DUNSXBHJZDZPTD-MRXNPFEDSA-N 2 0 327.476 3.276 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000268823455 252273939 /nfs/dbraw/zinc/27/39/39/252273939.db2.gz AOBUYNCNLVJGMR-GHTZIAJQSA-N 2 0 329.532 3.219 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000268834062 252283360 /nfs/dbraw/zinc/28/33/60/252283360.db2.gz LGMWCZCUIBLQND-HRAATJIYSA-N 2 0 342.458 3.318 10 0 EGAERP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H]1Cn1ccnc1C)C1CCCCC1 ZINC000246810638 141035794 /nfs/dbraw/zinc/03/57/94/141035794.db2.gz AATGYIOOELGDNU-LPHOPBHVSA-N 2 0 346.519 3.226 10 0 EGAERP O=C(CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842037 141038668 /nfs/dbraw/zinc/03/86/68/141038668.db2.gz OTJWXZLDHHOGOV-KSSFIOAISA-N 2 0 347.890 3.227 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000246911763 141043351 /nfs/dbraw/zinc/04/33/51/141043351.db2.gz PTZHOHFSZICJIR-NUJGCVRESA-N 2 0 349.544 3.122 10 0 EGAERP Cc1ccc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)c(C)n1 ZINC000187464437 144159613 /nfs/dbraw/zinc/15/96/13/144159613.db2.gz VYWAOEQHOMBPSA-UHFFFAOYSA-N 2 0 331.504 3.023 10 0 EGAERP CO[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000345491804 144246495 /nfs/dbraw/zinc/24/64/95/144246495.db2.gz UGQRLIRFDQZKDC-DJIMGWMZSA-N 2 0 344.421 3.454 10 0 EGAERP CCCn1cc(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)cn1 ZINC000341279958 155227563 /nfs/dbraw/zinc/22/75/63/155227563.db2.gz WAEVRZAXSSIHOY-UHFFFAOYSA-N 2 0 342.487 3.056 10 0 EGAERP C[C@H](c1c(F)cccc1F)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119627589 152218615 /nfs/dbraw/zinc/21/86/15/152218615.db2.gz OJRJYIDXKLRDBK-VPSFDDGASA-N 2 0 349.469 3.269 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cc(C)c(C)o3)cn2)CC1 ZINC000337390654 154328544 /nfs/dbraw/zinc/32/85/44/154328544.db2.gz KTPPBMZKOBCHGG-MRXNPFEDSA-N 2 0 342.487 3.284 10 0 EGAERP C[NH+]1CCC(CC(=O)Nc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000346814209 156146275 /nfs/dbraw/zinc/14/62/75/156146275.db2.gz MHXNLOZQRDZMRQ-UHFFFAOYSA-N 2 0 329.488 3.343 10 0 EGAERP CC(C)CCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737331 161674389 /nfs/dbraw/zinc/67/43/89/161674389.db2.gz HBYINZSATRVAEC-GOSISDBHSA-N 2 0 345.531 3.313 10 0 EGAERP Fc1ccc(-c2noc(CCC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000248453777 163006787 /nfs/dbraw/zinc/00/67/87/163006787.db2.gz HAWHQSZAYOCAJI-SJORKVTESA-N 2 0 344.434 3.025 10 0 EGAERP c1cn(-c2csc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c2)cn1 ZINC000346134061 164345536 /nfs/dbraw/zinc/34/55/36/164345536.db2.gz FEYUDWURHJWPCQ-UHFFFAOYSA-N 2 0 330.501 3.242 10 0 EGAERP c1cn(-c2csc(C[N@@H+]3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cn1 ZINC000346169701 164355402 /nfs/dbraw/zinc/35/54/02/164355402.db2.gz MTNVJVRQOAVKSI-DNVCBOLYSA-N 2 0 342.512 3.383 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1)CC1CC1 ZINC000346507789 164388442 /nfs/dbraw/zinc/38/84/42/164388442.db2.gz UYYQDXCWTUXTBM-INIZCTEOSA-N 2 0 336.442 3.134 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC000355381967 166181139 /nfs/dbraw/zinc/18/11/39/166181139.db2.gz ICOQEXXBVJXLPT-ICSRJNTNSA-N 2 0 343.515 3.032 10 0 EGAERP COc1cc2c(NCCC[N@@H+]3CCCO[C@@H](C)C3)cc[nH+]c2cc1F ZINC000358913953 167003615 /nfs/dbraw/zinc/00/36/15/167003615.db2.gz GUUONENWFHJTET-AWEZNQCLSA-N 2 0 347.434 3.295 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1CCOCC1)[C@H](C)c1nc2ccccc2s1 ZINC000158788386 225086307 /nfs/dbraw/zinc/08/63/07/225086307.db2.gz NYRKENIRCNVTCP-HOTGVXAUSA-N 2 0 347.528 3.490 10 0 EGAERP c1cc(CCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc2c1OCC2 ZINC000193238038 266018887 /nfs/dbraw/zinc/01/88/87/266018887.db2.gz XLCIHNSIFMADNQ-UHFFFAOYSA-N 2 0 328.500 3.362 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000128406389 277051630 /nfs/dbraw/zinc/05/16/30/277051630.db2.gz YMUPQLOUXHGACH-GOSISDBHSA-N 2 0 349.494 3.045 10 0 EGAERP CCc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000124790427 288547725 /nfs/dbraw/zinc/54/77/25/288547725.db2.gz VLGXKNSFIBJDES-QGZVFWFLSA-N 2 0 333.520 3.443 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414198900 309066376 /nfs/dbraw/zinc/06/63/76/309066376.db2.gz YLKLDSBZMYPCTO-MRXNPFEDSA-N 3 0 338.455 3.126 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414286567 309070698 /nfs/dbraw/zinc/07/06/98/309070698.db2.gz NEJGVURULLEDLJ-OAHLLOKOSA-N 2 0 343.437 3.129 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275478926 308067263 /nfs/dbraw/zinc/06/72/63/308067263.db2.gz JSOVPKUPJKJQBO-HMXCVIKNSA-N 2 0 329.532 3.186 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(F)c2ccccc21 ZINC000293716078 308155536 /nfs/dbraw/zinc/15/55/36/308155536.db2.gz MFJICLMHCSFBFH-HZPDHXFCSA-N 2 0 329.463 3.265 10 0 EGAERP CCc1noc(C)c1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000293793244 308162535 /nfs/dbraw/zinc/16/25/35/308162535.db2.gz ULIHUNCMGUXJCJ-AWEZNQCLSA-N 2 0 331.460 3.337 10 0 EGAERP C[C@@H]1CCN(Cc2cnc(Br)s2)C[C@@H]1n1ccnc1 ZINC000294904792 308270022 /nfs/dbraw/zinc/27/00/22/308270022.db2.gz HPZZOWGLILNEHA-PWSUYJOCSA-N 2 0 341.278 3.185 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295872000 308369486 /nfs/dbraw/zinc/36/94/86/308369486.db2.gz GGOWZQSDIQEKJP-KXEVLKFVSA-N 2 0 327.516 3.112 10 0 EGAERP CN1CC[C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1ccccc1 ZINC000297657188 308554094 /nfs/dbraw/zinc/55/40/94/308554094.db2.gz NRHPUDRIWZBWPC-RTWAWAEBSA-N 2 0 336.483 3.085 10 0 EGAERP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397679192 308904685 /nfs/dbraw/zinc/90/46/85/308904685.db2.gz KVNMUCMHXVHSPM-UHFFFAOYSA-N 2 0 330.497 3.173 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@H]2CC[NH2+]C2)cc1Br ZINC000400345716 308907150 /nfs/dbraw/zinc/90/71/50/308907150.db2.gz HDFHSWXZNMKQKW-GVXVVHGQSA-N 2 0 327.266 3.106 10 0 EGAERP FC(F)(F)c1ccccc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415046512 309116297 /nfs/dbraw/zinc/11/62/97/309116297.db2.gz CPLJEMRTKKEAFB-UHFFFAOYSA-N 2 0 341.421 3.011 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000415953905 309151068 /nfs/dbraw/zinc/15/10/68/309151068.db2.gz LLJALGQQXMAXNE-QGZVFWFLSA-N 2 0 346.519 3.286 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420386363 309285732 /nfs/dbraw/zinc/28/57/32/309285732.db2.gz FRLUKADNVMFXLO-ROUUACIJSA-N 2 0 340.471 3.133 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421366983 309320909 /nfs/dbraw/zinc/32/09/09/309320909.db2.gz AQSXOCSAIHLAQY-INIZCTEOSA-N 2 0 328.485 3.199 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H](C)Cc3ccccc3)CC2)CC1 ZINC000421373519 309321205 /nfs/dbraw/zinc/32/12/05/309321205.db2.gz MQEXQHYFLRWIHJ-HXUWFJFHSA-N 2 0 343.559 3.357 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@H]1CC12CCSCC2 ZINC000421866640 309344265 /nfs/dbraw/zinc/34/42/65/309344265.db2.gz BHBFVYHHRDRXDM-LMMKCTJWSA-N 2 0 345.556 3.415 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)nc2c1 ZINC000422699061 309363715 /nfs/dbraw/zinc/36/37/15/309363715.db2.gz CIHSOCSFPCSADJ-IXDOHACOSA-N 2 0 326.488 3.396 10 0 EGAERP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422730440 309365429 /nfs/dbraw/zinc/36/54/29/309365429.db2.gz FAELMWNIPIXLNE-KZNAEPCWSA-N 2 0 333.545 3.007 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422779950 309367894 /nfs/dbraw/zinc/36/78/94/309367894.db2.gz CLKVJLHIRLSYPS-BRSBDYLESA-N 2 0 332.488 3.363 10 0 EGAERP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818901 309370229 /nfs/dbraw/zinc/37/02/29/309370229.db2.gz HJMLQAHQACNUMC-NJDAHSKKSA-N 2 0 338.499 3.315 10 0 EGAERP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916758 309376066 /nfs/dbraw/zinc/37/60/66/309376066.db2.gz DZPXARVFBWPVTJ-UGGKCQTMSA-N 2 0 334.463 3.463 10 0 EGAERP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c1Cl ZINC000422930011 309376603 /nfs/dbraw/zinc/37/66/03/309376603.db2.gz ASHGWUMUXMAQMP-FVQBIDKESA-N 2 0 343.298 3.283 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422935408 309376996 /nfs/dbraw/zinc/37/69/96/309376996.db2.gz AIPSNAFPGDDWJM-CQSZACIVSA-N 2 0 327.472 3.486 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)cc[nH+]1 ZINC000422985338 309379517 /nfs/dbraw/zinc/37/95/17/309379517.db2.gz DFLXIUVGHRIGBQ-PCCBWWKXSA-N 3 0 342.531 3.198 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)cc[nH+]1 ZINC000422985337 309379520 /nfs/dbraw/zinc/37/95/20/309379520.db2.gz DFLXIUVGHRIGBQ-NJDAHSKKSA-N 3 0 342.531 3.198 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423084363 309385178 /nfs/dbraw/zinc/38/51/78/309385178.db2.gz HVDQFRYEPYYAJP-LPHOPBHVSA-N 2 0 338.499 3.021 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000423185237 309389537 /nfs/dbraw/zinc/38/95/37/309389537.db2.gz UUWUUEGZSODPFR-SFHVURJKSA-N 3 0 329.532 3.333 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)cc1 ZINC000423293650 309394365 /nfs/dbraw/zinc/39/43/65/309394365.db2.gz RUXORLAOARHCHD-WWMYMODYSA-N 3 0 338.499 3.102 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CC12CCSCC2 ZINC000423552845 309406136 /nfs/dbraw/zinc/40/61/36/309406136.db2.gz QCZUEGMRODJMNV-OXFYSEKESA-N 2 0 344.524 3.365 10 0 EGAERP CC1(C)CCC[NH2+][C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423779868 309412369 /nfs/dbraw/zinc/41/23/69/309412369.db2.gz VXNKNLLQOSFYGN-GOSISDBHSA-N 2 0 329.488 3.042 10 0 EGAERP C[NH+](C)[C@@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000433351941 309686979 /nfs/dbraw/zinc/68/69/79/309686979.db2.gz KVXFKQYOBHFTKU-FQEVSTJZSA-N 2 0 343.515 3.014 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000436292423 309751969 /nfs/dbraw/zinc/75/19/69/309751969.db2.gz NDDNUTCFMZGHIW-JQHSSLGASA-N 2 0 348.487 3.009 10 0 EGAERP CCO[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000446847467 309969536 /nfs/dbraw/zinc/96/95/36/309969536.db2.gz MUWDQZYIIKNOON-HXUWFJFHSA-N 2 0 336.439 3.443 10 0 EGAERP CC(C)NC(=O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449077052 310035183 /nfs/dbraw/zinc/03/51/83/310035183.db2.gz QWNMNQHOPRXKCW-UHFFFAOYSA-N 2 0 325.541 3.170 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)CC1 ZINC000449082963 310035662 /nfs/dbraw/zinc/03/56/62/310035662.db2.gz RFOLPDWUAUDISH-STZQEDGTSA-N 2 0 341.543 3.298 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)CC1 ZINC000449082961 310035705 /nfs/dbraw/zinc/03/57/05/310035705.db2.gz RFOLPDWUAUDISH-COPCDDAFSA-N 2 0 341.543 3.298 10 0 EGAERP CC[N@@H+]1CCC[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449108862 310037740 /nfs/dbraw/zinc/03/77/40/310037740.db2.gz WJQMVXXNTFGYBD-CTNGQTDRSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2nccs2)CC1 ZINC000449107850 310037776 /nfs/dbraw/zinc/03/77/76/310037776.db2.gz OKYNPQBEZGJXRY-MRXNPFEDSA-N 2 0 329.513 3.371 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000449160359 310041248 /nfs/dbraw/zinc/04/12/48/310041248.db2.gz LRNSVYZLKWKNOH-SLYNCCJLSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCCOC2)CC1 ZINC000449229880 310046100 /nfs/dbraw/zinc/04/61/00/310046100.db2.gz FTFUFFFXKPDMAG-HBFSDRIKSA-N 2 0 330.516 3.487 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000449230685 310046418 /nfs/dbraw/zinc/04/64/18/310046418.db2.gz BAGSZURWTLSGGD-GOSISDBHSA-N 2 0 340.552 3.043 10 0 EGAERP CCO[C@@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449240379 310046877 /nfs/dbraw/zinc/04/68/77/310046877.db2.gz YRNCECLEKOFSGI-ZWKOTPCHSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000449254092 310047774 /nfs/dbraw/zinc/04/77/74/310047774.db2.gz WHCVNRPKWNJGRK-QWFCFKBJSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCOC[C@H]2C)CC1 ZINC000449319789 310053190 /nfs/dbraw/zinc/05/31/90/310053190.db2.gz HGYYKRXKONQWEB-HBFSDRIKSA-N 2 0 330.516 3.344 10 0 EGAERP COc1ccccc1-c1ncc(C[NH2+]C(C)(C)CCC[NH+](C)C)cn1 ZINC000449526183 310069074 /nfs/dbraw/zinc/06/90/74/310069074.db2.gz DBKGRFAEEVSEKF-UHFFFAOYSA-N 2 0 342.487 3.362 10 0 EGAERP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449627932 310076073 /nfs/dbraw/zinc/07/60/73/310076073.db2.gz HRIHRKKJBMYONG-FVJLSDCUSA-N 2 0 330.516 3.485 10 0 EGAERP COC1([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000453063458 310255348 /nfs/dbraw/zinc/25/53/48/310255348.db2.gz DXHJMUYXYZKCHD-SFHVURJKSA-N 2 0 346.515 3.072 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453223712 310265158 /nfs/dbraw/zinc/26/51/58/310265158.db2.gz SGTISRORFBRBRX-QGZVFWFLSA-N 2 0 334.504 3.484 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000453226087 310265367 /nfs/dbraw/zinc/26/53/67/310265367.db2.gz WSLJYBMQNQLGFL-QGZVFWFLSA-N 2 0 334.504 3.484 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453317748 310270669 /nfs/dbraw/zinc/27/06/69/310270669.db2.gz YRGMZWBZPASCNT-IEBWSBKVSA-N 2 0 334.479 3.253 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CN(Cc2ccccc2)C1 ZINC000459662701 310567250 /nfs/dbraw/zinc/56/72/50/310567250.db2.gz VCINODYTVRQPKE-XLIONFOSSA-N 2 0 334.467 3.335 10 0 EGAERP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1 ZINC000513532553 312212605 /nfs/dbraw/zinc/21/26/05/312212605.db2.gz MSQJWFFMAUMYAK-WBILKINKSA-N 2 0 335.923 3.216 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@H]2CCC[C@H]21 ZINC000513697637 312215511 /nfs/dbraw/zinc/21/55/11/312215511.db2.gz PZQYZLOUYJPLPB-CEXWTWQISA-N 2 0 343.446 3.486 10 0 EGAERP OC1(C[N@@H+]2CC[C@H](C[NH+]3CCCC3)C2)CCC(c2ccccc2)CC1 ZINC000528385692 313080684 /nfs/dbraw/zinc/08/06/84/313080684.db2.gz DQCVTZKXIUQOQC-JSRJAPPDSA-N 2 0 342.527 3.493 10 0 EGAERP Cc1ccc(C)c(OCCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530240579 313503820 /nfs/dbraw/zinc/50/38/20/313503820.db2.gz LWSMZXLFVDZZIZ-FQEVSTJZSA-N 2 0 346.515 3.163 10 0 EGAERP c1ccc(OCC2CC2)c(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530247629 313505644 /nfs/dbraw/zinc/50/56/44/313505644.db2.gz BEHBDEQZQYVNOP-FQEVSTJZSA-N 2 0 344.499 3.066 10 0 EGAERP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000536427946 314113428 /nfs/dbraw/zinc/11/34/28/314113428.db2.gz YAGPPIWMVITSLL-UGKGYDQZSA-N 2 0 339.527 3.388 10 0 EGAERP Cc1nccn1CCC[N@@H+](C)C[C@@H](O)COc1ccccc1C(C)C ZINC000551898333 315175878 /nfs/dbraw/zinc/17/58/78/315175878.db2.gz BVQXQXMCXAGXPA-GOSISDBHSA-N 2 0 345.487 3.077 10 0 EGAERP Cc1nn(C)c2ncc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc12 ZINC000559272481 315625594 /nfs/dbraw/zinc/62/55/94/315625594.db2.gz NVKCHBQJRSDCPO-UHFFFAOYSA-N 2 0 349.482 3.162 10 0 EGAERP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000570792646 317109168 /nfs/dbraw/zinc/10/91/68/317109168.db2.gz ZHJIKDGKUKXGNZ-YSIASYRMSA-N 2 0 329.532 3.265 10 0 EGAERP C[NH+](C)C1CC([NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000571179332 317163238 /nfs/dbraw/zinc/16/32/38/317163238.db2.gz YTSRZKSNEUJJHX-UHFFFAOYSA-N 2 0 339.886 3.126 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[C@H]21 ZINC000572106157 317291983 /nfs/dbraw/zinc/29/19/83/317291983.db2.gz DOWRVBGKEJMSON-JOCLIGHLSA-N 2 0 331.479 3.114 10 0 EGAERP O[C@@H](CC1CCCC1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000583779505 325550500 /nfs/dbraw/zinc/55/05/00/325550500.db2.gz XMTRDAAAAMZAOG-SFHVURJKSA-N 2 0 339.483 3.298 10 0 EGAERP COc1cccc([C@H]2[C@@H]([NH2+]C3CCC(C[NH3+])CC3)CCN2C2CC2)c1 ZINC000583928833 325563264 /nfs/dbraw/zinc/56/32/64/325563264.db2.gz SIDZTUFBCXWBSH-GHKJOCBDSA-N 2 0 343.515 3.080 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ncc(Cl)cc2Cl)CC1(C)C ZINC000623450026 460556177 /nfs/dbraw/zinc/55/61/77/460556177.db2.gz UDLHCXXGHZIKRP-GFCCVEGCSA-N 2 0 332.275 3.230 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2[C@@H](c3ccccc3)C2(C)C)CC[NH2+]CC1 ZINC000600706085 460574220 /nfs/dbraw/zinc/57/42/20/460574220.db2.gz CSLXTRAPZDECAZ-KBAYOESNSA-N 2 0 344.499 3.090 10 0 EGAERP CO[C@](C)(C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563980 460615504 /nfs/dbraw/zinc/61/55/04/460615504.db2.gz OTLJZOCZNAFGAK-AZUAARDMSA-N 2 0 334.504 3.071 10 0 EGAERP CCOc1c(OC)cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245774739 455377881 /nfs/dbraw/zinc/37/78/81/455377881.db2.gz SLWVFPQCAQDYQJ-HOCLYGCPSA-N 2 0 336.476 3.017 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000057847336 454151969 /nfs/dbraw/zinc/15/19/69/454151969.db2.gz YNGHCYRJVOPEIO-HXUWFJFHSA-N 2 0 343.515 3.060 10 0 EGAERP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000130942503 454226833 /nfs/dbraw/zinc/22/68/33/454226833.db2.gz GTNXWZYYLHVYLC-PZJWPPBQSA-N 2 0 341.543 3.471 10 0 EGAERP CCOc1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)ccc1OC ZINC000134208579 454515841 /nfs/dbraw/zinc/51/58/41/454515841.db2.gz GBTCWHZGYLZBGD-UHFFFAOYSA-N 2 0 332.488 3.402 10 0 EGAERP C[C@H]1C[C@H](N(C)Cc2cccc(SC(=O)N(C)C)c2)CC[N@@H+]1C ZINC000177007929 454811353 /nfs/dbraw/zinc/81/13/53/454811353.db2.gz ZZWFUVYNCQFHFS-GOEBONIOSA-N 2 0 335.517 3.375 10 0 EGAERP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCCO2 ZINC000154391258 454892775 /nfs/dbraw/zinc/89/27/75/454892775.db2.gz BVPDKNRRPNQRAR-HXUWFJFHSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000165860125 454904686 /nfs/dbraw/zinc/90/46/86/454904686.db2.gz HRUFYEVLPBNRBK-CBGDNZLLSA-N 2 0 339.483 3.479 10 0 EGAERP Cc1cc(NC[C@H](c2cnn(C)c2)[NH+](C)C)c2cc(F)ccc2[nH+]1 ZINC000126671649 454910950 /nfs/dbraw/zinc/91/09/50/454910950.db2.gz JOYAFRXCWPPKJW-GOSISDBHSA-N 2 0 327.407 3.131 10 0 EGAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@H](O)CCc2ccccc2)C1 ZINC000182355102 455495686 /nfs/dbraw/zinc/49/56/86/455495686.db2.gz WUKJVSDTSAQWGM-RBUKOAKNSA-N 2 0 327.472 3.076 10 0 EGAERP O[C@@H]1CCC[C@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180149021 455139611 /nfs/dbraw/zinc/13/96/11/455139611.db2.gz KVOBSRGMDJXRRA-XICAJGIJSA-N 2 0 328.500 3.323 10 0 EGAERP CCc1cccc(CC)c1NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247028113 455547079 /nfs/dbraw/zinc/54/70/79/455547079.db2.gz UUJAMNNYLQIBEH-MAUKXSAKSA-N 2 0 331.504 3.164 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)c1ccccc1)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000247478149 455608318 /nfs/dbraw/zinc/60/83/18/455608318.db2.gz JWRWLMWVVWUTSE-YQVWRLOYSA-N 2 0 331.504 3.059 10 0 EGAERP COc1c(C)cc(C[N@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1C ZINC000192730255 455681147 /nfs/dbraw/zinc/68/11/47/455681147.db2.gz WPELVTQFBJADGW-UHFFFAOYSA-N 2 0 347.547 3.160 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000268895067 455721706 /nfs/dbraw/zinc/72/17/06/455721706.db2.gz ARVQBOHEEHUCCW-HZEGPAAWSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268919942 455730695 /nfs/dbraw/zinc/73/06/95/455730695.db2.gz WKMOGQLROMFRRD-STZQEDGTSA-N 2 0 338.495 3.394 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000269052878 455776953 /nfs/dbraw/zinc/77/69/53/455776953.db2.gz RNXKPUALALHIOC-YVWKXTFCSA-N 2 0 344.524 3.456 10 0 EGAERP Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000272409276 455941407 /nfs/dbraw/zinc/94/14/07/455941407.db2.gz KVQWULSOQVZSKC-IYWMVGAKSA-N 2 0 340.467 3.407 10 0 EGAERP CCCc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301789297 456215280 /nfs/dbraw/zinc/21/52/80/456215280.db2.gz MLXNDFQGETVRQQ-HOTGVXAUSA-N 2 0 327.472 3.079 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CCC(C[NH+]4CCOCC4)CC3)c2c1 ZINC000302148009 456298715 /nfs/dbraw/zinc/29/87/15/456298715.db2.gz JBHYVHGBXPTZPD-UHFFFAOYSA-N 2 0 325.456 3.092 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000340474449 456481701 /nfs/dbraw/zinc/48/17/01/456481701.db2.gz RVWXSJOQTHLLSQ-PXNSSMCTSA-N 2 0 341.503 3.221 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000340517488 456503781 /nfs/dbraw/zinc/50/37/81/456503781.db2.gz QTPFYWIQMVSWBG-HXUWFJFHSA-N 2 0 341.503 3.078 10 0 EGAERP O[C@@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000307946936 456570810 /nfs/dbraw/zinc/57/08/10/456570810.db2.gz LQGLYVFTASTBEA-NPYXIHBLSA-N 2 0 342.405 3.085 10 0 EGAERP C[C@@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319825 462476788 /nfs/dbraw/zinc/47/67/88/462476788.db2.gz JGXAOARRBXIUPD-AZUAARDMSA-N 2 0 338.499 3.164 10 0 EGAERP C[C@@H](CCCCO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319917 462477403 /nfs/dbraw/zinc/47/74/03/462477403.db2.gz JWRGOJLESXXNPX-AZUAARDMSA-N 2 0 330.516 3.429 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC34CCCC4)cn2)CC1 ZINC000353273058 456602534 /nfs/dbraw/zinc/60/25/34/456602534.db2.gz GOYNTAMNCVGCTA-GOSISDBHSA-N 2 0 328.504 3.036 10 0 EGAERP Fc1ccc(/C=C/CN(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1 ZINC000328621468 456721785 /nfs/dbraw/zinc/72/17/85/456721785.db2.gz ANACYJUMLVUTBS-NLJSWGTCSA-N 2 0 325.431 3.346 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](OCCC(C)C)C1 ZINC000346191449 457022864 /nfs/dbraw/zinc/02/28/64/457022864.db2.gz BZDXQRDHHQEVBI-LJQANCHMSA-N 2 0 328.460 3.213 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000339468837 457126157 /nfs/dbraw/zinc/12/61/57/457126157.db2.gz SFKCRWLRSOQKHP-IRXDYDNUSA-N 2 0 331.504 3.083 10 0 EGAERP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000363543025 457361602 /nfs/dbraw/zinc/36/16/02/457361602.db2.gz CVAKTOVGEPKPOY-IEZWGBDMSA-N 2 0 327.472 3.091 10 0 EGAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000381178348 457420610 /nfs/dbraw/zinc/42/06/10/457420610.db2.gz IBGKXCFKERDYKG-XLIONFOSSA-N 2 0 339.483 3.103 10 0 EGAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)C1CCC([NH3+])CC1 ZINC000404368103 457541897 /nfs/dbraw/zinc/54/18/97/457541897.db2.gz HNNVRHDLMOFVKO-SNCRXVCESA-N 2 0 343.515 3.014 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000356414337 457615189 /nfs/dbraw/zinc/61/51/89/457615189.db2.gz HDATZOMSPXRMDD-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361157154 457619572 /nfs/dbraw/zinc/61/95/72/457619572.db2.gz VDPOCBNZJYHXJG-INIZCTEOSA-N 2 0 341.503 3.348 10 0 EGAERP c1cn(-c2ccc(C[NH2+][C@@H](c3ccccc3)[C@H]3CCOC3)cn2)cn1 ZINC000374494876 457640910 /nfs/dbraw/zinc/64/09/10/457640910.db2.gz GKJUREGMXCDEIR-ICSRJNTNSA-N 2 0 334.423 3.135 10 0 EGAERP Cc1nccn1CCC[N@@H+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000375337000 457887023 /nfs/dbraw/zinc/88/70/23/457887023.db2.gz KVFNUYUAXGATPM-UHFFFAOYSA-N 2 0 334.414 3.072 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@H]2CCC[C@@H]21 ZINC000375836122 458087205 /nfs/dbraw/zinc/08/72/05/458087205.db2.gz BCLRLPAUIXREGX-WOPDTQHZSA-N 2 0 333.423 3.167 10 0 EGAERP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375890055 458110629 /nfs/dbraw/zinc/11/06/29/458110629.db2.gz RGVCIWZLCUNWEV-AQNXPRMDSA-N 2 0 343.515 3.179 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+](C[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000459326434 458330781 /nfs/dbraw/zinc/33/07/81/458330781.db2.gz MMEFBOUSLZOUSX-WKDRNLAYSA-N 2 0 341.543 3.281 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000459366566 458345769 /nfs/dbraw/zinc/34/57/69/458345769.db2.gz BEHLCQNDVNKITN-QAPCUYQASA-N 2 0 340.471 3.011 10 0 EGAERP CC(C)(C)Oc1cccc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000459465847 458381450 /nfs/dbraw/zinc/38/14/50/458381450.db2.gz XYKIMZJECXVEBT-UHFFFAOYSA-N 2 0 340.471 3.413 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435477 458432933 /nfs/dbraw/zinc/43/29/33/458432933.db2.gz YYKRYQHCQQLDIA-XCJLJZCSSA-N 3 0 329.532 3.252 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423499500 458443872 /nfs/dbraw/zinc/44/38/72/458443872.db2.gz BASNSUJSQWNBBZ-GZNCHQMQSA-N 2 0 327.516 3.178 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2c(s1)CCC2 ZINC000423501005 458444414 /nfs/dbraw/zinc/44/44/14/458444414.db2.gz CLCAPDBHTVLILR-OOHWJJMZSA-N 2 0 333.545 3.104 10 0 EGAERP Cc1ccccc1C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423502442 458444531 /nfs/dbraw/zinc/44/45/31/458444531.db2.gz CPJFNBXGIMJCEN-HRTMPFAESA-N 2 0 341.543 3.122 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2c(s1)CCCC2 ZINC000423509696 458447628 /nfs/dbraw/zinc/44/76/28/458447628.db2.gz LWZMQDKROMHHGP-ZLPCBKJTSA-N 2 0 347.572 3.494 10 0 EGAERP Cc1cccc2c1[C@@H](C)C[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519321 458450085 /nfs/dbraw/zinc/45/00/85/458450085.db2.gz PQONCFADYMGQDO-NNZWXOEDSA-N 2 0 327.516 3.349 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C2CC3CC(C2)CC1C3 ZINC000423527080 458452272 /nfs/dbraw/zinc/45/22/72/458452272.db2.gz MBRMULPWGZKUFW-HHBOAIGYSA-N 2 0 332.532 3.325 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1 ZINC000431563458 458589299 /nfs/dbraw/zinc/58/92/99/458589299.db2.gz CDIPQVKEMMOOIX-ROUUACIJSA-N 2 0 347.503 3.187 10 0 EGAERP COC(=O)CC1CC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000424317044 458613592 /nfs/dbraw/zinc/61/35/92/458613592.db2.gz QVDXPIBVCSHSQT-DXTJYYCRSA-N 2 0 342.483 3.113 10 0 EGAERP Brc1ccc2c(c1)CC[C@H](N[C@@H]1CC[NH2+]C13CCC3)C2 ZINC000530176598 458707687 /nfs/dbraw/zinc/70/76/87/458707687.db2.gz CKFZNAJCANBMEP-JKSUJKDBSA-N 2 0 335.289 3.181 10 0 EGAERP C[NH+](C)C[C@H](N[C@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000530227396 458723810 /nfs/dbraw/zinc/72/38/10/458723810.db2.gz XDKRQGOXXVXMFA-WWGRRREGSA-N 2 0 330.303 3.456 10 0 EGAERP CC1=CCN(CC[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158597 458847502 /nfs/dbraw/zinc/84/75/02/458847502.db2.gz QHBRFIOOOXUVID-TZIWHRDSSA-N 2 0 327.516 3.139 10 0 EGAERP C[C@H]1CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533407 458876232 /nfs/dbraw/zinc/87/62/32/458876232.db2.gz YVYPGTDXDAUISB-AZUAARDMSA-N 2 0 327.516 3.115 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000577054814 458971581 /nfs/dbraw/zinc/97/15/81/458971581.db2.gz FBFKKKQYHKNTML-UHFFFAOYSA-N 2 0 337.895 3.379 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@@H](C)C1 ZINC000477856999 459063870 /nfs/dbraw/zinc/06/38/70/459063870.db2.gz FTSWFSHDXZEHCK-IHPCNDPISA-N 2 0 340.552 3.044 10 0 EGAERP C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000558423830 459157335 /nfs/dbraw/zinc/15/73/35/459157335.db2.gz PHIMKLAEMYCBHS-WBVHZDCISA-N 2 0 328.485 3.121 10 0 EGAERP COC1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCCC1 ZINC000483307873 459357715 /nfs/dbraw/zinc/35/77/15/459357715.db2.gz HXLLTLFGGOOJJP-UHFFFAOYSA-N 2 0 338.536 3.160 10 0 EGAERP c1cc(CN(Cc2ccccc2)Cc2ccc3c(c2)C[NH2+]CC3)n[nH]1 ZINC000569228582 459417705 /nfs/dbraw/zinc/41/77/05/459417705.db2.gz DLKUINUSUBWCLX-UHFFFAOYSA-N 2 0 332.451 3.258 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1ccccc1)[C@H]1CCOC1 ZINC000541380021 459450571 /nfs/dbraw/zinc/45/05/71/459450571.db2.gz FCFBPFRJPOHYNX-RXVVDRJESA-N 2 0 348.450 3.443 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCCCC1 ZINC000541566161 459467320 /nfs/dbraw/zinc/46/73/20/459467320.db2.gz ZWWJRBNTOFPIMH-QGZVFWFLSA-N 2 0 345.531 3.427 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CN2CCO[C@@H](C(C)C)C2)CC1 ZINC000497162861 459467485 /nfs/dbraw/zinc/46/74/85/459467485.db2.gz OGGGJLUGGGXUMH-OAQYLSRUSA-N 2 0 345.531 3.075 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@H](CC(C)C)C1 ZINC000542313013 459546305 /nfs/dbraw/zinc/54/63/05/459546305.db2.gz KKAHFAXCJSMMFR-PKOBYXMFSA-N 2 0 328.460 3.259 10 0 EGAERP Cn1cncc1[C@H]1[C@H](C[NH2+]Cc2cccc3[nH]ccc32)CCCN1C ZINC000583616627 459568816 /nfs/dbraw/zinc/56/88/16/459568816.db2.gz USXDRRBFGWWFOS-OXJNMPFZSA-N 2 0 337.471 3.074 10 0 EGAERP c1ncn(Cc2ccccc2)c1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000527074652 459586811 /nfs/dbraw/zinc/58/68/11/459586811.db2.gz ILHVSCKMPGRCGY-UHFFFAOYSA-N 2 0 338.499 3.239 10 0 EGAERP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](c2ccsc2)O1 ZINC000574881669 459887621 /nfs/dbraw/zinc/88/76/21/459887621.db2.gz GZNNAALPWHCPLS-LIRRHRJNSA-N 2 0 328.481 3.356 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)C[C@H]1C ZINC000599065854 460148794 /nfs/dbraw/zinc/14/87/94/460148794.db2.gz RZNIAFLBTNRTTB-KCITZHQASA-N 2 0 336.520 3.351 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1(C)C ZINC000623344828 460501350 /nfs/dbraw/zinc/50/13/50/460501350.db2.gz DPYLRVYBZLZHNY-CQSZACIVSA-N 2 0 338.879 3.116 10 0 EGAERP COc1ccc(C[NH2+]C[C@@H](C)C[NH+]2CCCCC2)cc1OC1CC1 ZINC000623363886 460511557 /nfs/dbraw/zinc/51/15/57/460511557.db2.gz KEZGLHJDSMFMQH-MRXNPFEDSA-N 2 0 332.488 3.448 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623385993 460521780 /nfs/dbraw/zinc/52/17/80/460521780.db2.gz GEQANJTXBURTAC-KRWDZBQOSA-N 2 0 331.504 3.126 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCO2)cc1 ZINC000623865542 460750834 /nfs/dbraw/zinc/75/08/34/460750834.db2.gz UYSDOIUNEUDEJA-FXAWDEMLSA-N 2 0 334.504 3.454 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000629540019 460801292 /nfs/dbraw/zinc/80/12/92/460801292.db2.gz RWRNXINLHWONSL-CVEARBPZSA-N 2 0 330.394 3.297 10 0 EGAERP Clc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556170 460805167 /nfs/dbraw/zinc/80/51/67/460805167.db2.gz LUCNAZKWNDDXAF-BPQIPLTHSA-N 2 0 347.890 3.111 10 0 EGAERP C[C@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000629702974 460874989 /nfs/dbraw/zinc/87/49/89/460874989.db2.gz YKPMCLJPNSUKBX-KRWDZBQOSA-N 2 0 336.483 3.143 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000659019544 461142467 /nfs/dbraw/zinc/14/24/67/461142467.db2.gz PPRYVFQRDLABNH-UHFFFAOYSA-N 2 0 344.503 3.040 10 0 EGAERP Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000652361373 461155955 /nfs/dbraw/zinc/15/59/55/461155955.db2.gz FYCDJVLUXNUCFU-CEWLAPEOSA-N 2 0 346.515 3.433 10 0 EGAERP c1c(C2CC[NH+](CC[C@H]3CCCCO3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327709 461195418 /nfs/dbraw/zinc/19/54/18/461195418.db2.gz UFXPZJWOBNPUDD-GOSISDBHSA-N 2 0 346.519 3.015 10 0 EGAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662459476 461251129 /nfs/dbraw/zinc/25/11/29/461251129.db2.gz ZPQVNUHRNPOCTI-RBUKOAKNSA-N 2 0 343.515 3.060 10 0 EGAERP [NH3+][C@@H](CCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1)CC1CCCCC1 ZINC000662593068 461309388 /nfs/dbraw/zinc/30/93/88/461309388.db2.gz GWMQYKYNYIVGKQ-UXHICEINSA-N 2 0 349.563 3.303 10 0 EGAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc21 ZINC000662666033 461341585 /nfs/dbraw/zinc/34/15/85/461341585.db2.gz POWMGHQANFZUQY-LJQANCHMSA-N 2 0 343.515 3.061 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)c1 ZINC000655805624 461466119 /nfs/dbraw/zinc/46/61/19/461466119.db2.gz QGLZIZZFXFLLQF-UPJWGTAASA-N 2 0 341.293 3.449 10 0 EGAERP C[C@@H](Cc1cccs1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000666234746 461522411 /nfs/dbraw/zinc/52/24/11/461522411.db2.gz XDMYDTMQTBVNOA-KRWDZBQOSA-N 2 0 344.524 3.296 10 0 EGAERP CC(C)(C)[C@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369055 461595451 /nfs/dbraw/zinc/59/54/51/461595451.db2.gz VZAGIQZZZZJICZ-RBUKOAKNSA-N 2 0 330.516 3.285 10 0 EGAERP CC(=O)Nc1cccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)c1 ZINC000631166084 461604587 /nfs/dbraw/zinc/60/45/87/461604587.db2.gz FSYVKNPNRSQDNL-CTNGQTDRSA-N 2 0 337.467 3.080 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647287946 461613165 /nfs/dbraw/zinc/61/31/65/461613165.db2.gz ZHLMZIAWPCFXOR-AZUAARDMSA-N 2 0 332.536 3.032 10 0 EGAERP CCC[N@@H+]1CC[C@H](CNc2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC000663416047 461629889 /nfs/dbraw/zinc/62/98/89/461629889.db2.gz KOACDRTUFGIBBN-CQSZACIVSA-N 2 0 329.444 3.396 10 0 EGAERP CC(C)n1ccc(C[C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)n1 ZINC000647343944 461647061 /nfs/dbraw/zinc/64/70/61/461647061.db2.gz GDGXPKMJZPLWCT-DSKINZAPSA-N 2 0 340.515 3.330 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000663502143 461674633 /nfs/dbraw/zinc/67/46/33/461674633.db2.gz GMTITVQDUYCDLX-WMLDXEAASA-N 2 0 339.911 3.040 10 0 EGAERP C[C@@H]1C[C@H](C[N@@H+]2CCOc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000663501755 461675290 /nfs/dbraw/zinc/67/52/90/461675290.db2.gz AFIJNMGZZPRPHN-CHWSQXEVSA-N 2 0 339.277 3.032 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCO[C@H]1CC1(F)F ZINC000660271494 461677263 /nfs/dbraw/zinc/67/72/63/461677263.db2.gz YMFZLORNYLJLAX-INMHGKMJSA-N 2 0 338.442 3.157 10 0 EGAERP C[NH2+]C[C@@H](C)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000663507963 461677784 /nfs/dbraw/zinc/67/77/84/461677784.db2.gz DXEITMISDIDGIG-SNVBAGLBSA-N 2 0 340.290 3.270 10 0 EGAERP COc1cc2cc[nH+]c(N(C)C[C@@H]3CCC[N@H+](C)C3)c2cc1OC ZINC000663614148 461725601 /nfs/dbraw/zinc/72/56/01/461725601.db2.gz NUYJJGPQBXMFLI-CQSZACIVSA-N 2 0 329.444 3.030 10 0 EGAERP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000643466586 461736785 /nfs/dbraw/zinc/73/67/85/461736785.db2.gz CZSIIIYYOXNKRF-YFVAEKQCSA-N 2 0 344.499 3.427 10 0 EGAERP [NH3+]Cc1ccc(-c2noc(-c3ccc4c(c3)[C@H](C[NH3+])CCC4)n2)cc1 ZINC000656563520 461787496 /nfs/dbraw/zinc/78/74/96/461787496.db2.gz SRRDWYRYBPPSMR-KRWDZBQOSA-N 2 0 334.423 3.241 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN2CCC[C@@H](c3ncc4n3CCCC4)C2)C1 ZINC000660481050 461804410 /nfs/dbraw/zinc/80/44/10/461804410.db2.gz IRFXTGWNNLPFJI-CEXWTWQISA-N 2 0 344.547 3.377 10 0 EGAERP CCOCc1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)ccc1OC ZINC000656785120 461895880 /nfs/dbraw/zinc/89/58/80/461895880.db2.gz IZYVULYXDIECJA-IBGZPJMESA-N 2 0 346.515 3.443 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1([NH3+])CCCC1 ZINC000656788709 461897561 /nfs/dbraw/zinc/89/75/61/461897561.db2.gz BNKODYULTSVAFS-NSHDSACASA-N 2 0 329.257 3.380 10 0 EGAERP CC(C)(C)c1nn(Cc2ccccc2)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713518 461906634 /nfs/dbraw/zinc/90/66/34/461906634.db2.gz VNPSRRFPJDITNF-UHFFFAOYSA-N 2 0 340.515 3.448 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Br)ccc1OC ZINC000650718521 461910192 /nfs/dbraw/zinc/91/01/92/461910192.db2.gz QATOCUINQSHMOJ-UHFFFAOYSA-N 2 0 349.272 3.467 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653871625 461910555 /nfs/dbraw/zinc/91/05/55/461910555.db2.gz HOEASZKDFUNAJA-MRXNPFEDSA-N 2 0 331.495 3.206 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000650745583 461929684 /nfs/dbraw/zinc/92/96/84/461929684.db2.gz JWLQEOWGGBMACU-AWEZNQCLSA-N 2 0 339.277 3.381 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000650745857 461930772 /nfs/dbraw/zinc/93/07/72/461930772.db2.gz PLIJGGZJVZIYOB-XUVXKRRUSA-N 3 0 327.516 3.006 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532043 461973121 /nfs/dbraw/zinc/97/31/21/461973121.db2.gz VKMBKODROPETNL-RTBURBONSA-N 2 0 348.531 3.260 10 0 EGAERP CC[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301322 462028325 /nfs/dbraw/zinc/02/83/25/462028325.db2.gz ZUUXLRPJNWVXIJ-TZIWHRDSSA-N 2 0 345.531 3.054 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+]Cc3cn(C4CCC4)nn3)CC2)c1 ZINC000657338563 462058281 /nfs/dbraw/zinc/05/82/81/462058281.db2.gz PXKWJEZULQMDDZ-UHFFFAOYSA-N 2 0 345.516 3.066 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C3CCC3)cnn2C)c1 ZINC000657348152 462062371 /nfs/dbraw/zinc/06/23/71/462062371.db2.gz MEIRFGYDPJBEAI-UHFFFAOYSA-N 2 0 326.488 3.429 10 0 EGAERP Cc1ccc2cc(C[NH2+]CCCC[NH+]3C[C@@H](C)O[C@H](C)C3)[nH]c2c1 ZINC000657368462 462076416 /nfs/dbraw/zinc/07/64/16/462076416.db2.gz WWTBQNOZANCBEM-IAGOWNOFSA-N 2 0 329.488 3.455 10 0 EGAERP C[C@@H](CCNCc1ccnn1-c1cc[nH+]cc1)[N@H+](C)Cc1ccccc1 ZINC000657384032 462087005 /nfs/dbraw/zinc/08/70/05/462087005.db2.gz QSIJTYRGVJJZLT-SFHVURJKSA-N 2 0 349.482 3.268 10 0 EGAERP CC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Oc1ccccc1F ZINC000657386167 462089692 /nfs/dbraw/zinc/08/96/92/462089692.db2.gz CFRTZXBEYXSYSB-KRWDZBQOSA-N 2 0 340.402 3.354 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2ccnn2-c2ccncc2)CC1 ZINC000667502114 462116372 /nfs/dbraw/zinc/11/63/72/462116372.db2.gz UMQYBNYMQZGKKO-UHFFFAOYSA-N 2 0 341.503 3.211 10 0 EGAERP c1cc(C[NH2+]C[C@@H]2CCCN(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657452299 462133627 /nfs/dbraw/zinc/13/36/27/462133627.db2.gz IPBKEUBONUBSIH-SFHVURJKSA-N 2 0 347.466 3.274 10 0 EGAERP Fc1cncc(Br)c1CN1CCC(c2ncc[nH]2)CC1 ZINC000667564241 462146474 /nfs/dbraw/zinc/14/64/74/462146474.db2.gz GLXVUMOBPQSEOH-UHFFFAOYSA-N 2 0 339.212 3.086 10 0 EGAERP CCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C)c1 ZINC000657537559 462172274 /nfs/dbraw/zinc/17/22/74/462172274.db2.gz PCGZSQAWTBJXGT-UHFFFAOYSA-N 2 0 346.515 3.374 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1csc(-c2ccccc2)n1 ZINC000657572876 462187311 /nfs/dbraw/zinc/18/73/11/462187311.db2.gz FDMNDFUFMCJNPW-INIZCTEOSA-N 2 0 346.544 3.172 10 0 EGAERP CC1(C)C[N@@H+]([C@@H]2CCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837097 462209828 /nfs/dbraw/zinc/20/98/28/462209828.db2.gz MMCFCVMBRWNGTF-WOJBJXKFSA-N 2 0 328.500 3.398 10 0 EGAERP C[C@@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667707869 462224802 /nfs/dbraw/zinc/22/48/02/462224802.db2.gz LJORROZFBQONGE-MGPUTAFESA-N 2 0 334.423 3.091 10 0 EGAERP c1nc(-c2ccncc2)sc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657812457 462280069 /nfs/dbraw/zinc/28/00/69/462280069.db2.gz COONYIANXQYSEA-UHFFFAOYSA-N 2 0 342.512 3.417 10 0 EGAERP CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651699112 462308062 /nfs/dbraw/zinc/30/80/62/462308062.db2.gz HMTJNUWAKKOUJR-ICSRJNTNSA-N 2 0 331.504 3.036 10 0 EGAERP O[C@@]1(C2CC2)CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000661632380 462336366 /nfs/dbraw/zinc/33/63/66/462336366.db2.gz OXLSJJYTMTYXQK-NRFANRHFSA-N 2 0 328.500 3.409 10 0 EGAERP CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658068463 462366123 /nfs/dbraw/zinc/36/61/23/462366123.db2.gz WQRPARPVFNCTLZ-IBGZPJMESA-N 2 0 331.504 3.403 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(SC)cc2)CC1 ZINC000665285098 462384492 /nfs/dbraw/zinc/38/44/92/462384492.db2.gz CLKUKAKQWOKHOF-HNNXBMFYSA-N 2 0 349.544 3.050 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000665285744 462385089 /nfs/dbraw/zinc/38/50/89/462385089.db2.gz VPLOMOICLDGSJS-OXQOHEQNSA-N 2 0 343.515 3.205 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138994 462401815 /nfs/dbraw/zinc/40/18/15/462401815.db2.gz KMEFANKOJBBYEJ-KDOFPFPSSA-N 2 0 346.421 3.382 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139212 462402245 /nfs/dbraw/zinc/40/22/45/462402245.db2.gz PKTFCVLULKNFKF-YADHBBJMSA-N 2 0 336.479 3.494 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140643 462403161 /nfs/dbraw/zinc/40/31/61/462403161.db2.gz VSMZLMBCIPXBDS-HNAYVOBHSA-N 2 0 330.497 3.474 10 0 EGAERP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139973 462403508 /nfs/dbraw/zinc/40/35/08/462403508.db2.gz PCBZNNXUXBPNHL-DENIHFKCSA-N 2 0 336.479 3.339 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4occc43)cc2)C1 ZINC000658141952 462405026 /nfs/dbraw/zinc/40/50/26/462405026.db2.gz YEMQRNNFXBVGSB-HKUYNNGSSA-N 2 0 326.440 3.013 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4ccccc43)cc2)C1 ZINC000658147282 462407056 /nfs/dbraw/zinc/40/70/56/462407056.db2.gz YGALSKXDZURMDP-IRLDBZIGSA-N 2 0 336.479 3.420 10 0 EGAERP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000658143271 462407833 /nfs/dbraw/zinc/40/78/33/462407833.db2.gz HBCYRSZCTNNDPM-JXFKEZNVSA-N 2 0 340.467 3.113 10 0 EGAERP FC1(F)C[C@H]1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168636 462416691 /nfs/dbraw/zinc/41/66/91/462416691.db2.gz IPUUIELSWNNOCW-ZJPYXAASSA-N 2 0 336.426 3.196 10 0 EGAERP CCC[N@@H+]1CC[C@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000658284874 462455996 /nfs/dbraw/zinc/45/59/96/462455996.db2.gz HJQGFFFHNVXMDG-NQIIRXRSSA-N 2 0 329.532 3.156 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)[C@H](C)C1 ZINC000186829835 527836710 /nfs/dbraw/zinc/83/67/10/527836710.db2.gz IKIYYJQLNJNNKN-QAPCUYQASA-N 2 0 332.488 3.494 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCOC1 ZINC000310183644 547461166 /nfs/dbraw/zinc/46/11/66/547461166.db2.gz WYIYTMJUSHPQQO-NXNFSMPISA-N 2 0 328.500 3.302 10 0 EGAERP CCC[N@@H+]1CC[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000390883857 547829286 /nfs/dbraw/zinc/82/92/86/547829286.db2.gz UZEFZGCDPDOQGO-WVVQBRDUSA-N 2 0 327.516 3.256 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000678139311 549408115 /nfs/dbraw/zinc/40/81/15/549408115.db2.gz QIRHYVOCMLBNKP-UHFFFAOYSA-N 3 0 347.547 3.181 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000684367568 550320421 /nfs/dbraw/zinc/32/04/21/550320421.db2.gz RSALPYPRZBZDOI-FQEVSTJZSA-N 2 0 331.548 3.432 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000684378037 550321992 /nfs/dbraw/zinc/32/19/92/550321992.db2.gz RNKJAMIWMLLFPH-BPQIPLTHSA-N 2 0 349.494 3.186 10 0 EGAERP Oc1cccc2c(N3CC[C@H](OCC[NH+]4CCCCC4)C3)cc[nH+]c12 ZINC000684578779 550345582 /nfs/dbraw/zinc/34/55/82/550345582.db2.gz ZMHDEYQECYYSST-INIZCTEOSA-N 2 0 341.455 3.022 10 0 EGAERP Cc1ccc(-c2ccc(C[NH2+]C[C@H](C)N3CC[NH+](C)CC3)s2)cc1 ZINC000105464925 1293039948 /nfs/dbraw/zinc/03/99/48/1293039948.db2.gz CELYUORYNZTCNL-KRWDZBQOSA-N 2 0 343.540 3.449 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000131182902 1293681757 /nfs/dbraw/zinc/68/17/57/1293681757.db2.gz WEXVCVRICVMNPF-OAQYLSRUSA-N 2 0 329.532 3.361 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+]Cc2cc3cc(F)ccc3o2)ccn1 ZINC000136215959 1293813157 /nfs/dbraw/zinc/81/31/57/1293813157.db2.gz CFCCXCVSAQQMRH-UHFFFAOYSA-N 2 0 343.402 3.197 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)c1 ZINC000870904054 1296134427 /nfs/dbraw/zinc/13/44/27/1296134427.db2.gz JQONNMRMTVRNDA-DYXWJJEUSA-N 2 0 343.515 3.052 10 0 EGAERP C[NH2+]C[C@@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000234393106 1296180981 /nfs/dbraw/zinc/18/09/81/1296180981.db2.gz OZPIKKIZPUPIFF-ZFWWWQNUSA-N 2 0 325.294 3.312 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000872044534 1296695635 /nfs/dbraw/zinc/69/56/35/1296695635.db2.gz BZJNMNRUPMTYJG-TVFCKZIOSA-N 2 0 326.525 3.059 10 0 EGAERP C[C@]12C[NH2+]C[C@H]1C[N@H+](CCCOc1cccc(C(F)(F)F)c1)C2 ZINC000872153651 1296774297 /nfs/dbraw/zinc/77/42/97/1296774297.db2.gz MTUODJASFSZSPV-GOEBONIOSA-N 2 0 328.378 3.016 10 0 EGAERP COc1cc(-c2noc(C[N@H+](C)CCCCCC[NH3+])n2)ccc1C ZINC000872155525 1296774559 /nfs/dbraw/zinc/77/45/59/1296774559.db2.gz OQEUYCIYPUOUOJ-UHFFFAOYSA-N 2 0 332.448 3.005 10 0 EGAERP [NH3+][C@H](C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1)C1CCCC1 ZINC000872312799 1296909758 /nfs/dbraw/zinc/90/97/58/1296909758.db2.gz YCFZSUKWYRCPDV-OQIJWPOYSA-N 2 0 335.536 3.040 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000311530001 1297108014 /nfs/dbraw/zinc/10/80/14/1297108014.db2.gz XTXVDMCTIJIYAU-WFASDCNBSA-N 2 0 325.294 3.358 10 0 EGAERP c1ccc(C[N@H+]2CCCC[C@@H]2CN2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000379696376 1297539405 /nfs/dbraw/zinc/53/94/05/1297539405.db2.gz XDTAITDDIJVTKH-LEWJYISDSA-N 2 0 327.516 3.258 10 0 EGAERP C[C@@](O)(C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000397552739 1297701941 /nfs/dbraw/zinc/70/19/41/1297701941.db2.gz ZHMMCUUWZSZIDX-JOCHJYFZSA-N 2 0 338.495 3.396 10 0 EGAERP Cc1ccc(C[NH+]2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)cc1C ZINC000581804009 1298012757 /nfs/dbraw/zinc/01/27/57/1298012757.db2.gz ZDSZYWLNLGMDEV-HXUWFJFHSA-N 2 0 328.500 3.380 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H]1C[C@@H](NC(=O)OC(C)(C)C)C1 ZINC000711486403 1298262685 /nfs/dbraw/zinc/26/26/85/1298262685.db2.gz VWIIISGMUCCZBY-ZACQAIPSSA-N 2 0 341.540 3.390 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@@H](CC)C2CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000716154617 1298293619 /nfs/dbraw/zinc/29/36/19/1298293619.db2.gz HBPJITQTXMJUEH-KRWDZBQOSA-N 2 0 339.524 3.096 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCN(C[C@@H]2Cc3ccccc3C[NH2+]2)CC1 ZINC000717503955 1298304085 /nfs/dbraw/zinc/30/40/85/1298304085.db2.gz UBSCOCRRVMYCOR-QFIPXVFZSA-N 2 0 349.522 3.297 10 0 EGAERP c1c(C[NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)nc2ncccn12 ZINC000877698546 1299490145 /nfs/dbraw/zinc/49/01/45/1299490145.db2.gz YLSLDTRTHWXUNF-UHFFFAOYSA-N 2 0 349.482 3.121 10 0 EGAERP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C[C@H]4C[C@@]45CCOC5)C3)C2)cc1 ZINC000886030317 1303325257 /nfs/dbraw/zinc/32/52/57/1303325257.db2.gz JCXFJYHRGOODEN-BHIFYINESA-N 2 0 340.511 3.401 10 0 EGAERP COC(=O)[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886495394 1303476785 /nfs/dbraw/zinc/47/67/85/1303476785.db2.gz WDZLVBFKTOVYSW-RBUKOAKNSA-N 2 0 330.472 3.104 10 0 EGAERP CC1(C)COC[C@@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000894328367 1306345496 /nfs/dbraw/zinc/34/54/96/1306345496.db2.gz YFFYDNPMTYHJMS-FQEVSTJZSA-N 2 0 346.515 3.072 10 0 EGAERP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000894355721 1306357049 /nfs/dbraw/zinc/35/70/49/1306357049.db2.gz BMKFMPWHKNPDIJ-UHFFFAOYSA-N 2 0 343.471 3.165 10 0 EGAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000894766601 1309058609 /nfs/dbraw/zinc/05/86/09/1309058609.db2.gz SIECCXLMMMTZTI-UHFFFAOYSA-N 2 0 338.455 3.352 10 0 EGAERP CC1=CC[C@H]([NH2+]CCC2(O)CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000895649402 1309448115 /nfs/dbraw/zinc/44/81/15/1309448115.db2.gz PWTVHRRCDXJCAI-FQEVSTJZSA-N 2 0 328.500 3.492 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]CC[C@H]4CCOC4)CC[C@@H]3C2)cc1 ZINC000898518423 1310774456 /nfs/dbraw/zinc/77/44/56/1310774456.db2.gz ILKGQZFWYMIGQR-JSXRDJHFSA-N 2 0 328.500 3.303 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC000898521690 1310775749 /nfs/dbraw/zinc/77/57/49/1310775749.db2.gz FWGWHHOWXRTMPP-WOZUAGRISA-N 2 0 328.500 3.446 10 0 EGAERP Cc1cc(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)c(C)nn1 ZINC000929487067 1328612366 /nfs/dbraw/zinc/61/23/66/1328612366.db2.gz ZYGJIKVKUTYXKC-UHFFFAOYSA-N 2 0 338.499 3.437 10 0 EGAERP Cc1cc(C[NH2+][C@@H](C)Cn2ccnc2)c(Br)cc1F ZINC000858094506 1328680078 /nfs/dbraw/zinc/68/00/78/1328680078.db2.gz PRKABWYZZQOOOL-NSHDSACASA-N 2 0 326.213 3.271 10 0 EGAERP Cc1cc(CNC[C@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1F ZINC000858095429 1328681199 /nfs/dbraw/zinc/68/11/99/1328681199.db2.gz ZQQDSVNYPPELQL-GFCCVEGCSA-N 2 0 341.268 3.471 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140838 1328693461 /nfs/dbraw/zinc/69/34/61/1328693461.db2.gz IIIQDNVECDGJIN-HUUCEWRRSA-N 2 0 331.287 3.489 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](CC3CCC4(CC4)CC3)CC2)CC1 ZINC000930752437 1328957451 /nfs/dbraw/zinc/95/74/51/1328957451.db2.gz UUTMERPDJHFNBT-UHFFFAOYSA-N 2 0 333.564 3.449 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000922211243 1322479360 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0 332.492 3.169 10 0 EGAERP O=C(NCCCCCC1CC[NH2+]CC1)Nc1ccn2ccnc2c1 ZINC000926106794 1325429897 /nfs/dbraw/zinc/42/98/97/1325429897.db2.gz WXZNNEGIJAAGNW-UHFFFAOYSA-N 2 0 329.448 3.016 10 0 EGAERP CSC1(C[NH2+][C@H]2CCC[C@H]2Cc2ccccn2)CC[NH+](C)CC1 ZINC000926447934 1325558459 /nfs/dbraw/zinc/55/84/59/1325558459.db2.gz IRUSPAUEUSQAIO-WMZOPIPTSA-N 2 0 333.545 3.210 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n(C)n1 ZINC000926737317 1327692542 /nfs/dbraw/zinc/69/25/42/1327692542.db2.gz FMKUSCAYCPHWOD-DYXWJJEUSA-N 2 0 344.547 3.151 10 0 EGAERP C[NH+](C)CC[C@H]([NH2+][C@H]1CCC[C@@H]1Cc1ccccn1)c1cccnc1 ZINC000926902562 1327765788 /nfs/dbraw/zinc/76/57/88/1327765788.db2.gz YWNJDYVLMWTJNY-QMMLZNLJSA-N 2 0 338.499 3.470 10 0 EGAERP FC(F)n1cc(C[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c2ccccc21 ZINC000863545079 1329562263 /nfs/dbraw/zinc/56/22/63/1329562263.db2.gz GSMBUCWHVWPWON-YESZJQIVSA-N 2 0 349.425 3.283 10 0 EGAERP 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0 346.519 3.333 10 0 EGAERP CC1CC[NH+](CCCCNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868188577 1330260549 /nfs/dbraw/zinc/26/05/49/1330260549.db2.gz ZOXWJRLMYFAIHW-RBUKOAKNSA-N 2 0 344.503 3.135 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001323170621 1387306284 /nfs/dbraw/zinc/30/62/84/1387306284.db2.gz RWQFYAUTHAKFNL-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCC1 ZINC001323278256 1387322410 /nfs/dbraw/zinc/32/24/10/1387322410.db2.gz OODYZPWBMKAQCB-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCCC2)CC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001323565568 1387390711 /nfs/dbraw/zinc/39/07/11/1387390711.db2.gz CPELPANGBSREDZ-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323645160 1387416292 /nfs/dbraw/zinc/41/62/92/1387416292.db2.gz XWJWZOPVXVMQNU-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001323669221 1387421094 /nfs/dbraw/zinc/42/10/94/1387421094.db2.gz HBODRNQLKLZZDO-IPQPSQTFSA-N 2 0 335.536 3.041 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001324085600 1387535051 /nfs/dbraw/zinc/53/50/51/1387535051.db2.gz DHOTYUSZBRGOSV-HKUYNNGSSA-N 2 0 335.536 3.042 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CCCC[NH+](C)C ZINC001324097605 1387540421 /nfs/dbraw/zinc/54/04/21/1387540421.db2.gz LNHBZXAXWCLNDB-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324097635 1387540562 /nfs/dbraw/zinc/54/05/62/1387540562.db2.gz LUNQPCGKLZUBLG-AEFFLSMTSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324101539 1387542599 /nfs/dbraw/zinc/54/25/99/1387542599.db2.gz ZWNWDFHSJOOEKX-ICSRJNTNSA-N 2 0 347.547 3.332 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001324237123 1387564788 /nfs/dbraw/zinc/56/47/88/1387564788.db2.gz TZMCNPBIAPAHEE-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC1CCC(C[NH+]2CCC(C)(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001324340384 1387599505 /nfs/dbraw/zinc/59/95/05/1387599505.db2.gz UDSHJQLOJNOBNC-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+]([C@@H]2CCc3c2cccc3F)CC1 ZINC001198613012 1369072858 /nfs/dbraw/zinc/07/28/58/1369072858.db2.gz UOSGRVPLHVOQBC-LJQANCHMSA-N 2 0 332.463 3.126 10 0 EGAERP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001325629218 1388014407 /nfs/dbraw/zinc/01/44/07/1388014407.db2.gz JUVSRANFMGTUDA-OKYOBFRVSA-N 2 0 335.536 3.019 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001118805353 1371233301 /nfs/dbraw/zinc/23/33/01/1371233301.db2.gz YFYNNNITAQLIKX-FPOVZHCZSA-N 3 0 329.532 3.361 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001326299725 1388145851 /nfs/dbraw/zinc/14/58/51/1388145851.db2.gz APJARTJXYIMGSY-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])c1 ZINC001326369059 1388167565 /nfs/dbraw/zinc/16/75/65/1388167565.db2.gz BLUKFLAQDCZQHE-VQTJNVASSA-N 2 0 345.531 3.442 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001326555443 1388237972 /nfs/dbraw/zinc/23/79/72/1388237972.db2.gz ROSPLWYSJDPZHP-MKXGPGLRSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[C@H]2[NH3+])CCCC1)c1ccccc1 ZINC001326687782 1388283179 /nfs/dbraw/zinc/28/31/79/1388283179.db2.gz LBCWERUNANQJLJ-YTQUADARSA-N 2 0 343.515 3.284 10 0 EGAERP Cc1cc(C)c(C[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001326736768 1388294763 /nfs/dbraw/zinc/29/47/63/1388294763.db2.gz XUTBLDTUBWJJGC-LJQANCHMSA-N 2 0 345.531 3.034 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001326846205 1388329260 /nfs/dbraw/zinc/32/92/60/1388329260.db2.gz RGKOIHVAWORLBZ-UHFFFAOYSA-N 2 0 342.487 3.465 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)C1 ZINC001326876164 1388335951 /nfs/dbraw/zinc/33/59/51/1388335951.db2.gz VWLSZNQFDMQGRS-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327129049 1388393321 /nfs/dbraw/zinc/39/33/21/1388393321.db2.gz FLLZXNUJZJTHQT-HPFMTEOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327156492 1388410704 /nfs/dbraw/zinc/41/07/04/1388410704.db2.gz LQTRKNWAWNQENT-PHWHVTFISA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CCCC1 ZINC001265136926 1377148827 /nfs/dbraw/zinc/14/88/27/1377148827.db2.gz KFXXCHWPUSSORU-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@H]([NH+](C)CCCC3CCC3)C2)CC[N@@H+]1C ZINC001266099812 1377185066 /nfs/dbraw/zinc/18/50/66/1377185066.db2.gz NMDCBBJVGXACRD-SLFFLAALSA-N 2 0 349.563 3.220 10 0 EGAERP CC1CC(C[N@H+](CCCNC(=O)C(C)(C)[NH+]2CCCCC2)C2CC2)C1 ZINC001266138450 1377203150 /nfs/dbraw/zinc/20/31/50/1377203150.db2.gz HNDXOVGXGDOFHQ-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2ccc(C)c(C)c2)CC[N@@H+]1C ZINC001266146769 1377207722 /nfs/dbraw/zinc/20/77/22/1377207722.db2.gz RFTAOKSPUJXINE-YZGWKJHDSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001266238082 1377241908 /nfs/dbraw/zinc/24/19/08/1377241908.db2.gz JWEPHDVOIBHHLY-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361257 1377296204 /nfs/dbraw/zinc/29/62/04/1377296204.db2.gz JXTIZOHODFOVQQ-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001266373429 1377298685 /nfs/dbraw/zinc/29/86/85/1377298685.db2.gz CXOLKAUFFCIAON-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001266707714 1377364418 /nfs/dbraw/zinc/36/44/18/1377364418.db2.gz BXGAIGKOEAXJJM-SCTDSRPQSA-N 2 0 349.563 3.457 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001266733690 1377370113 /nfs/dbraw/zinc/37/01/13/1377370113.db2.gz YRGQRZKNOYJVGH-WTGUMLROSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001136465793 1377396609 /nfs/dbraw/zinc/39/66/09/1377396609.db2.gz VWYMINKZLOMGDL-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001267071445 1377409941 /nfs/dbraw/zinc/40/99/41/1377409941.db2.gz UWEFPHIJRMGILC-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)[C@@H](C)CC[NH+](C)C)CCCC1)c1ccccc1 ZINC001136797616 1377424630 /nfs/dbraw/zinc/42/46/30/1377424630.db2.gz OGTGQRULHDDARO-ZWKOTPCHSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC1CC(C)(C)C1 ZINC001267264495 1377435465 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Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001272020778 1377654122 /nfs/dbraw/zinc/65/41/22/1377654122.db2.gz PPJXRFFJZHHBMA-GUDVDZBRSA-N 2 0 345.531 3.095 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001277364063 1378219962 /nfs/dbraw/zinc/21/99/62/1378219962.db2.gz YTWSBZDPPANWMN-DNVCBOLYSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001277901603 1378250524 /nfs/dbraw/zinc/25/05/24/1378250524.db2.gz YREPRJZHUXGUDZ-HGZMWJMZSA-N 2 0 343.515 3.011 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2 ZINC001278473345 1378274509 /nfs/dbraw/zinc/27/45/09/1378274509.db2.gz HTEGXGVXKHIUCG-PZJWPPBQSA-N 2 0 347.547 3.166 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC001282275237 1378494157 /nfs/dbraw/zinc/49/41/57/1378494157.db2.gz VTVWDHQDRRLDLH-MHJFOBGBSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@H](C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001282619687 1378518414 /nfs/dbraw/zinc/51/84/14/1378518414.db2.gz YFOKRNRJYBKZMX-BZSNNMDCSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001282676425 1378546106 /nfs/dbraw/zinc/54/61/06/1378546106.db2.gz SZRQPLHGVJEBJQ-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC([N@H+](C)CCC(C)(C)C)CC1)[NH+](CC)CC ZINC001283331531 1378814311 /nfs/dbraw/zinc/81/43/11/1378814311.db2.gz BZBQZNOXHUAPDZ-SFHVURJKSA-N 2 0 339.568 3.466 10 0 EGAERP CC[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC001327681367 1388578516 /nfs/dbraw/zinc/57/85/16/1388578516.db2.gz ZBZZJINAPQOZOR-BEFAXECRSA-N 2 0 330.472 3.172 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001283534758 1379005531 /nfs/dbraw/zinc/00/55/31/1379005531.db2.gz ZGTQPDBTKNVNQZ-LJQANCHMSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001283629492 1379064897 /nfs/dbraw/zinc/06/48/97/1379064897.db2.gz JJXVJYJJTUTAGQ-HKUYNNGSSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001283938495 1379287808 /nfs/dbraw/zinc/28/78/08/1379287808.db2.gz IOZRIYSFJWDQBV-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001284066386 1379423831 /nfs/dbraw/zinc/42/38/31/1379423831.db2.gz GJTLXFWHZREIHX-FPOVZHCZSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001284097727 1379465292 /nfs/dbraw/zinc/46/52/92/1379465292.db2.gz TWUYUIPSXSLFAL-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284193951 1379587223 /nfs/dbraw/zinc/58/72/23/1379587223.db2.gz HSYIHHUZDFSREO-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001284331881 1379727582 /nfs/dbraw/zinc/72/75/82/1379727582.db2.gz LCGZSXPBRBDSFX-YZBXUTEPSA-N 2 0 349.563 3.432 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001327996658 1388641515 /nfs/dbraw/zinc/64/15/15/1388641515.db2.gz XNNNUWLONCFKGL-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1 ZINC001327996851 1388641542 /nfs/dbraw/zinc/64/15/42/1388641542.db2.gz YWZQTUOXYQFCFX-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001284643071 1380049899 /nfs/dbraw/zinc/04/98/99/1380049899.db2.gz QHWCZGJVORLMGR-OALUTQOASA-N 2 0 345.531 3.136 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001284724331 1380145057 /nfs/dbraw/zinc/14/50/57/1380145057.db2.gz VHYBPIQEFFYPQI-RJCMGOLDSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C1CC(N(C)C(=O)C[N@@H+](C)C(C)C)C1 ZINC001284819157 1380245029 /nfs/dbraw/zinc/24/50/29/1380245029.db2.gz UFFUWKYPNFSNGJ-UHFFFAOYSA-N 2 0 345.531 3.229 10 0 EGAERP CC(C)C[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001284854072 1380279071 /nfs/dbraw/zinc/27/90/71/1380279071.db2.gz WECVYTLEQMGJMV-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001155677167 1380481366 /nfs/dbraw/zinc/48/13/66/1380481366.db2.gz NNPWUIMFBHDFPD-FFEBTUMSSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001328097935 1388669923 /nfs/dbraw/zinc/66/99/23/1388669923.db2.gz JKSXLDQGAGBZAH-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001328282842 1388714111 /nfs/dbraw/zinc/71/41/11/1388714111.db2.gz IVXQYJOXPBKSDO-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C\Cl ZINC001328389011 1388735030 /nfs/dbraw/zinc/73/50/30/1388735030.db2.gz UCKNAIVSHVOQCN-ODUBZOQESA-N 2 0 341.927 3.020 10 0 EGAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291944842 1382162604 /nfs/dbraw/zinc/16/26/04/1382162604.db2.gz FGEWALDSKJCWEG-CMKODMSKSA-N 2 0 343.515 3.012 10 0 EGAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)[NH+](C)C ZINC001296530908 1383012347 /nfs/dbraw/zinc/01/23/47/1383012347.db2.gz WVYUTLRNIDUHMZ-ZULIPRJHSA-N 2 0 343.515 3.119 10 0 EGAERP C[N@@H+](Cc1ccccc1)C[C@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001167100146 1383539044 /nfs/dbraw/zinc/53/90/44/1383539044.db2.gz FKOHAVHHQADQCB-XPWALMASSA-N 2 0 349.522 3.053 10 0 EGAERP CCOCCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC001167658427 1383700923 /nfs/dbraw/zinc/70/09/23/1383700923.db2.gz GOVWVDCOOHSOTN-SFHVURJKSA-N 2 0 326.525 3.016 10 0 EGAERP CSc1ccc(OCC[N@@H+]2CCN(c3cc[nH+]cc3)[C@H](C)C2)cc1 ZINC001308039572 1384079685 /nfs/dbraw/zinc/07/96/85/1384079685.db2.gz GJSFBWPQIIEHQI-MRXNPFEDSA-N 2 0 343.496 3.393 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001316598849 1384465453 /nfs/dbraw/zinc/46/54/53/1384465453.db2.gz JVUUFFJJSKUJPL-GOSISDBHSA-N 2 0 342.487 3.369 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001316664921 1384511425 /nfs/dbraw/zinc/51/14/25/1384511425.db2.gz PKRCJHLDRMWRJS-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC(C)(C)C ZINC001316710479 1384533397 /nfs/dbraw/zinc/53/33/97/1384533397.db2.gz ZDRGZVLZWZYFJJ-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001316776287 1384575797 /nfs/dbraw/zinc/57/57/97/1384575797.db2.gz YNLRBRHCNYWTOE-SFHVURJKSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001316843284 1384632494 /nfs/dbraw/zinc/63/24/94/1384632494.db2.gz BHAOXJBMDHNHNI-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)CCC2=CCCCC2)CC1 ZINC001316857748 1384643821 /nfs/dbraw/zinc/64/38/21/1384643821.db2.gz MCXOHULXZCNUGK-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316878437 1384663365 /nfs/dbraw/zinc/66/33/65/1384663365.db2.gz HRORWWHIBSQNLB-VQIMIIECSA-N 2 0 349.494 3.081 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C1CCCCCC1)[NH+]1CCCCC1 ZINC001171861497 1384664026 /nfs/dbraw/zinc/66/40/26/1384664026.db2.gz ODFMRGOACYLRKM-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001316994568 1384750891 /nfs/dbraw/zinc/75/08/91/1384750891.db2.gz NPDWQDWQTUNLSB-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317024318 1384790426 /nfs/dbraw/zinc/79/04/26/1384790426.db2.gz JDMWRDIHFQUOSX-PXNSSMCTSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001317098877 1384861900 /nfs/dbraw/zinc/86/19/00/1384861900.db2.gz SWYOUBYQYHNNCZ-YQQQUEKLSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3CC3)CC[C@H]21 ZINC001317103156 1384866900 /nfs/dbraw/zinc/86/69/00/1384866900.db2.gz DMXSTZIUJQOEQT-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317142357 1384910897 /nfs/dbraw/zinc/91/08/97/1384910897.db2.gz AUTYRQIEKYRGBH-ZMBJWTFHSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317177718 1384951043 /nfs/dbraw/zinc/95/10/43/1384951043.db2.gz UHJNUVSJJBIHTN-SBUVDCAVSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001317187013 1384961777 /nfs/dbraw/zinc/96/17/77/1384961777.db2.gz CKEOHQSEVQGWJT-RTLBZRNLSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317194824 1384969100 /nfs/dbraw/zinc/96/91/00/1384969100.db2.gz GPIMRLDCDVZANL-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317226796 1385006210 /nfs/dbraw/zinc/00/62/10/1385006210.db2.gz OOJXIWQTISGPRL-UHFFFAOYSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001317256196 1385026711 /nfs/dbraw/zinc/02/67/11/1385026711.db2.gz NIZTVZXOXAXXII-QGZVFWFLSA-N 2 0 335.536 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)cc2C)C1 ZINC001317262698 1385031737 /nfs/dbraw/zinc/03/17/37/1385031737.db2.gz BROIEOMWOYZKRX-ICSRJNTNSA-N 2 0 345.531 3.020 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317332210 1385086387 /nfs/dbraw/zinc/08/63/87/1385086387.db2.gz VAOSWLOMTNMDFG-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001317393218 1385111651 /nfs/dbraw/zinc/11/16/51/1385111651.db2.gz OSFZTOTUMVLYPH-NZSAHSFTSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCC1 ZINC001317409330 1385120702 /nfs/dbraw/zinc/12/07/02/1385120702.db2.gz UFTBIFCWTNHAAK-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001317434790 1385138141 /nfs/dbraw/zinc/13/81/41/1385138141.db2.gz LDSSRKAKLXEOGU-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001317506534 1385214149 /nfs/dbraw/zinc/21/41/49/1385214149.db2.gz BLLSBPBYMBJMDR-OALUTQOASA-N 2 0 345.531 3.287 10 0 EGAERP C[N@@H+]1CC[C@@H]2C[NH+](CCCOc3cccc(C(F)(F)F)c3)C[C@@H]2C1 ZINC001175202616 1385218555 /nfs/dbraw/zinc/21/85/55/1385218555.db2.gz GGQVDVBOBKHDPG-CABCVRRESA-N 2 0 342.405 3.358 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317524756 1385245224 /nfs/dbraw/zinc/24/52/24/1385245224.db2.gz BOWRXGXBONHHTP-IPLHWJFFSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317527462 1385249080 /nfs/dbraw/zinc/24/90/80/1385249080.db2.gz DEYZTUKWUYZPTA-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+](CC(=O)N(C1CC1)C1CCCC1)CC1CC[NH+](C)CC1 ZINC001175601456 1385345977 /nfs/dbraw/zinc/34/59/77/1385345977.db2.gz MEDNWXYEQARGRC-UHFFFAOYSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001317623915 1385359055 /nfs/dbraw/zinc/35/90/55/1385359055.db2.gz QHTWLNNNFUFOKO-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001317717960 1385419773 /nfs/dbraw/zinc/41/97/73/1385419773.db2.gz KFMWEDXFUYUCCY-WOJBJXKFSA-N 2 0 343.515 3.106 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001317763470 1385454348 /nfs/dbraw/zinc/45/43/48/1385454348.db2.gz OGIHQPGQRCXANY-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001317763537 1385454547 /nfs/dbraw/zinc/45/45/47/1385454547.db2.gz OYEOFEASMCMSNJ-UYAOXDASSA-N 2 0 345.531 3.321 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001329144169 1388988317 /nfs/dbraw/zinc/98/83/17/1388988317.db2.gz AIWPGNHMIBXNQF-MSOLQXFVSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](C)C ZINC001317808119 1385504339 /nfs/dbraw/zinc/50/43/39/1385504339.db2.gz CJWYHLHTZXTCPQ-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP OC[C@]12CCC[C@H]1[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC001176252209 1385527619 /nfs/dbraw/zinc/52/76/19/1385527619.db2.gz FWPQKTKCHNJVFU-NHCUHLMSSA-N 2 0 328.500 3.409 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001317863882 1385548803 /nfs/dbraw/zinc/54/88/03/1385548803.db2.gz QKIQFRBXZMJPBZ-LJQANCHMSA-N 2 0 349.563 3.077 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484375 1385716121 /nfs/dbraw/zinc/71/61/21/1385716121.db2.gz YDCSEBDKBYYRAU-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001318653484 1385817524 /nfs/dbraw/zinc/81/75/24/1385817524.db2.gz 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ZINC001698626765 1406268668 /nfs/dbraw/zinc/26/86/68/1406268668.db2.gz OESSFMAKCICOPU-QGZVFWFLSA-N 2 0 349.544 3.140 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001319375068 1386089118 /nfs/dbraw/zinc/08/91/18/1386089118.db2.gz QYVAABLBEQPROU-QGZVFWFLSA-N 2 0 331.504 3.026 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001319542199 1386170961 /nfs/dbraw/zinc/17/09/61/1386170961.db2.gz ZGTIUUXRJQUACS-WMZOPIPTSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319635323 1386223644 /nfs/dbraw/zinc/22/36/44/1386223644.db2.gz HZDVYHMWJMTHFP-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001319710103 1386263746 /nfs/dbraw/zinc/26/37/46/1386263746.db2.gz RHQXENHNXGVVOI-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319787377 1386296403 /nfs/dbraw/zinc/29/64/03/1386296403.db2.gz 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ZINC001698719132 1406364086 /nfs/dbraw/zinc/36/40/86/1406364086.db2.gz GKECJMCVBXUFOH-FQEVSTJZSA-N 2 0 345.531 3.169 10 0 EGAERP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCc2cncn2C1 ZINC001329888748 1389247031 /nfs/dbraw/zinc/24/70/31/1389247031.db2.gz YLAHHXOLUNVEQU-IRXDYDNUSA-N 2 0 348.535 3.146 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001330085309 1389304744 /nfs/dbraw/zinc/30/47/44/1389304744.db2.gz LKWDHTPOQFEVLS-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001330485615 1389427859 /nfs/dbraw/zinc/42/78/59/1389427859.db2.gz INARGPCLXLVTDU-ZMBJWTFHSA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001698729931 1406380131 /nfs/dbraw/zinc/38/01/31/1406380131.db2.gz IDKZIDIWYZCXGS-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@@H]2CCOC2)cc1 ZINC001330672700 1389491994 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LKUHSHVDIAUGQS-XZZFYQAUSA-N 2 0 349.563 3.338 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC001332396737 1390105179 /nfs/dbraw/zinc/10/51/79/1390105179.db2.gz FQOMCQOUSWIJOL-SFHVURJKSA-N 2 0 342.487 3.273 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001332710381 1390163058 /nfs/dbraw/zinc/16/30/58/1390163058.db2.gz DPUSCTUNYQVBAO-OALUTQOASA-N 2 0 337.552 3.362 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)C1CCC1 ZINC001332806805 1390191598 /nfs/dbraw/zinc/19/15/98/1390191598.db2.gz MPOYBIVPFKNRAH-GOSISDBHSA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C[NH2+]CC(C)C)C(C)(C)C)c1ccccc1 ZINC001332881476 1390207976 /nfs/dbraw/zinc/20/79/76/1390207976.db2.gz JWVCRPVONIZTRI-RBUKOAKNSA-N 2 0 347.547 3.456 10 0 EGAERP CCCCC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001332985962 1390231137 /nfs/dbraw/zinc/23/11/37/1390231137.db2.gz VUWMKSAQCRRVSR-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP 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1406470201 /nfs/dbraw/zinc/47/02/01/1406470201.db2.gz PJJDCDGHIDLPQL-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3CCC([NH+]4CCCCC4)CC3)C[N@@H+]2C1 ZINC001346986746 1390990900 /nfs/dbraw/zinc/99/09/00/1390990900.db2.gz YPWUYXYDBUBDQR-VGAGBSETSA-N 2 0 347.547 3.020 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001698802535 1406480722 /nfs/dbraw/zinc/48/07/22/1406480722.db2.gz GDWUWOMWJGMUDR-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001698845567 1406546206 /nfs/dbraw/zinc/54/62/06/1406546206.db2.gz LEKJTCLWNXWTPL-MSOLQXFVSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001479328057 1392215559 /nfs/dbraw/zinc/21/55/59/1392215559.db2.gz KWGZOCANOHOZEC-YSIASYRMSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001479501181 1392258709 /nfs/dbraw/zinc/25/87/09/1392258709.db2.gz KFJGODBHSKVUJE-SFHVURJKSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001479594867 1392284345 /nfs/dbraw/zinc/28/43/45/1392284345.db2.gz OMTHVWUWVOMBTH-QRVBRYPASA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001479609843 1392285804 /nfs/dbraw/zinc/28/58/04/1392285804.db2.gz AWCIQAIMILNNBM-HOJAQTOUSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC[N@@H+]1CCCC(C)(C)C ZINC001479644861 1392304085 /nfs/dbraw/zinc/30/40/85/1392304085.db2.gz HOHGHYFRKANFIH-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001479646577 1392305058 /nfs/dbraw/zinc/30/50/58/1392305058.db2.gz DXYFXYBZLVZFAJ-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001479685056 1392317798 /nfs/dbraw/zinc/31/77/98/1392317798.db2.gz AXAJUHSUMNMPCW-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001479694715 1392325466 /nfs/dbraw/zinc/32/54/66/1392325466.db2.gz RGJOCRGYGDPOKA-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001479718131 1392335740 /nfs/dbraw/zinc/33/57/40/1392335740.db2.gz PUKKJACKWLQTPF-KSZLIROESA-N 2 0 339.568 3.226 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828888 1392415939 /nfs/dbraw/zinc/41/59/39/1392415939.db2.gz GLLFSFYKMJBDEC-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1ccc(F)cc1 ZINC001479853343 1392433930 /nfs/dbraw/zinc/43/39/30/1392433930.db2.gz KQHGMDDJJMDHRJ-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP CCCC[NH+]1CCC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001479889764 1392461026 /nfs/dbraw/zinc/46/10/26/1392461026.db2.gz MFRQHDJLVFUKHM-UHFFFAOYSA-N 2 0 337.552 3.362 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479987528 1392520041 /nfs/dbraw/zinc/52/00/41/1392520041.db2.gz FOQUMSDBFURUFM-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480084901 1392574924 /nfs/dbraw/zinc/57/49/24/1392574924.db2.gz PASPMMGYSHDBRD-GOSISDBHSA-N 2 0 339.568 3.181 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480088825 1392579275 /nfs/dbraw/zinc/57/92/75/1392579275.db2.gz MKPBDOWXNIRQDL-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001480099811 1392584322 /nfs/dbraw/zinc/58/43/22/1392584322.db2.gz LMZATKPMGDFVPZ-HCRJECLASA-N 2 0 349.563 3.386 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001480143502 1392600301 /nfs/dbraw/zinc/60/03/01/1392600301.db2.gz BCMDZCQZZLUJIP-VAMGGRTRSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001480174124 1392608841 /nfs/dbraw/zinc/60/88/41/1392608841.db2.gz RUDYDCYMIGWSPI-LEAZDLGRSA-N 2 0 343.515 3.105 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480190261 1392619674 /nfs/dbraw/zinc/61/96/74/1392619674.db2.gz YTEMQRRAKKWKSI-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001480266167 1392650033 /nfs/dbraw/zinc/65/00/33/1392650033.db2.gz QEQCAVRLZDYRRT-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001480407466 1392744516 /nfs/dbraw/zinc/74/45/16/1392744516.db2.gz WMLICADTDOCYIW-GVZZJSSUSA-N 2 0 335.536 3.090 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001480662736 1392841991 /nfs/dbraw/zinc/84/19/91/1392841991.db2.gz YODOFBHUNPUVPA-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP CCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001480742566 1392909064 /nfs/dbraw/zinc/90/90/64/1392909064.db2.gz NPXHCOJIIASNPP-FQEVSTJZSA-N 2 0 345.531 3.012 10 0 EGAERP CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001698874815 1406598232 /nfs/dbraw/zinc/59/82/32/1406598232.db2.gz WPEVGBLLIPSZPY-VQIMIIECSA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)(C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001480823332 1392961788 /nfs/dbraw/zinc/96/17/88/1392961788.db2.gz HXHHKITVIKKMQB-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NCC[NH+](C)CCC(C)(C)C)c1ccccc1 ZINC001480934483 1393030538 /nfs/dbraw/zinc/03/05/38/1393030538.db2.gz LMGUHDSRFPWIFU-GOSISDBHSA-N 2 0 333.520 3.164 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@@H](C)c1ccccc1C ZINC001480980073 1393064151 /nfs/dbraw/zinc/06/41/51/1393064151.db2.gz IHQOIJVKWVRBLG-RBUKOAKNSA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098520 1393119455 /nfs/dbraw/zinc/11/94/55/1393119455.db2.gz BHAYAZULZBHVPD-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCCC1 ZINC001481150541 1393134965 /nfs/dbraw/zinc/13/49/65/1393134965.db2.gz KKRYZAIIVCUEPM-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481336994 1393166612 /nfs/dbraw/zinc/16/66/12/1393166612.db2.gz NXKWJLOXLQYVHE-DDUKWOAZSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001698884614 1406617810 /nfs/dbraw/zinc/61/78/10/1406617810.db2.gz OJWRKRHFVZQZEY-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CCCC1CCCC1 ZINC001698922397 1406658299 /nfs/dbraw/zinc/65/82/99/1406658299.db2.gz CZSXQQQVEGPNMO-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001490608972 1394280710 /nfs/dbraw/zinc/28/07/10/1394280710.db2.gz IGYUWMUEXYAKOV-GNAXCBTBSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481433427 1394290060 /nfs/dbraw/zinc/29/00/60/1394290060.db2.gz VDARRYQOQQQLJD-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481500213 1394347284 /nfs/dbraw/zinc/34/72/84/1394347284.db2.gz DUHPLXRKTGSUCC-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001491079420 1394421163 /nfs/dbraw/zinc/42/11/63/1394421163.db2.gz AZWBRFCMYGHBRN-AMBYYYRHSA-N 2 0 335.536 3.066 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120238 1394438875 /nfs/dbraw/zinc/43/88/75/1394438875.db2.gz MVKSZXBHOGCIAK-APWZRJJASA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001491125128 1394441023 /nfs/dbraw/zinc/44/10/23/1394441023.db2.gz GYIANAHLAVYXDG-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001491270498 1394499058 /nfs/dbraw/zinc/49/90/58/1394499058.db2.gz CVTKAENBSMLLSJ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491302500 1394502063 /nfs/dbraw/zinc/50/20/63/1394502063.db2.gz WVJXYMFNZBDNIG-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001481779621 1394524710 /nfs/dbraw/zinc/52/47/10/1394524710.db2.gz VAJDWOHIBXXKLJ-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816413 1394543294 /nfs/dbraw/zinc/54/32/94/1394543294.db2.gz LPBSRROSTPIWCR-PMACEKPBSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481838776 1394552986 /nfs/dbraw/zinc/55/29/86/1394552986.db2.gz HAFGGMWDRCPSDY-GOSISDBHSA-N 2 0 349.563 3.316 10 0 EGAERP CC1CCC(C[NH2+]CC2(NC(=O)CCC[NH+](C)C)CCCC2)CC1 ZINC001481903630 1394588394 /nfs/dbraw/zinc/58/83/94/1394588394.db2.gz BRATWBTVVCNJEF-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1c(C(=O)N[C@@](C)(C[NH2+]CCC(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001481932652 1394602018 /nfs/dbraw/zinc/60/20/18/1394602018.db2.gz BMFDMUCVNPCZAZ-FQEVSTJZSA-N 2 0 342.487 3.177 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481981197 1394642577 /nfs/dbraw/zinc/64/25/77/1394642577.db2.gz LMVSAWXYZQLOBW-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001482026367 1394684815 /nfs/dbraw/zinc/68/48/15/1394684815.db2.gz JKONXLQYJXNIMV-WGSAOQKQSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001482027102 1394685986 /nfs/dbraw/zinc/68/59/86/1394685986.db2.gz XQDAVKYGCFHWSV-FHWLQOOXSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001482137923 1394765338 /nfs/dbraw/zinc/76/53/38/1394765338.db2.gz SXFUQFADDQTEMV-AEFFLSMTSA-N 2 0 345.531 3.048 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001482174280 1394787563 /nfs/dbraw/zinc/78/75/63/1394787563.db2.gz XPHSWNDQGNSLCB-HUUCEWRRSA-N 2 0 339.911 3.083 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccc(C)c2)C1 ZINC001482322517 1394892884 /nfs/dbraw/zinc/89/28/84/1394892884.db2.gz BABULNTUKBPDKH-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001482337099 1394904674 /nfs/dbraw/zinc/90/46/74/1394904674.db2.gz MWUVTUPYGGYKBT-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001698968580 1406729334 /nfs/dbraw/zinc/72/93/34/1406729334.db2.gz NRSFKONYZIZKEP-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCCC1 ZINC001482406517 1394969493 /nfs/dbraw/zinc/96/94/93/1394969493.db2.gz QWFODYKCVPWGQZ-IBGZPJMESA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C1CCC1)C1CCCCC1 ZINC001482406518 1394969538 /nfs/dbraw/zinc/96/95/38/1394969538.db2.gz QWFODYKCVPWGQZ-LJQANCHMSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCCC2)c1 ZINC001482409111 1394973628 /nfs/dbraw/zinc/97/36/28/1394973628.db2.gz JOJFJPAKBSXEHP-FQEVSTJZSA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001482430419 1394990798 /nfs/dbraw/zinc/99/07/98/1394990798.db2.gz AHFDUFXYSBRPFF-XLIONFOSSA-N 2 0 343.515 3.155 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001482451050 1395009588 /nfs/dbraw/zinc/00/95/88/1395009588.db2.gz QVPCHTAMFLMUDT-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC2CCCCC2)C(C)C)CC[N@@H+]1C ZINC001482533330 1395075139 /nfs/dbraw/zinc/07/51/39/1395075139.db2.gz XZWDOQSIEKIGIA-GBESFXJTSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC(C)(C)C ZINC001482560156 1395089461 /nfs/dbraw/zinc/08/94/61/1395089461.db2.gz BVTCPAZGCYVVGF-SFHVURJKSA-N 2 0 339.568 3.275 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483911590 1395141363 /nfs/dbraw/zinc/14/13/63/1395141363.db2.gz KERHLEMNRZAHGW-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001483915546 1395143025 /nfs/dbraw/zinc/14/30/25/1395143025.db2.gz XPZCFGCKEIJHOR-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917467 1395144583 /nfs/dbraw/zinc/14/45/83/1395144583.db2.gz WGAAHZZCRYUROQ-VQIMIIECSA-N 2 0 349.494 3.027 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C1 ZINC001483917667 1395144635 /nfs/dbraw/zinc/14/46/35/1395144635.db2.gz WYQIMZFCRASBQC-UYAOXDASSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917465 1395144868 /nfs/dbraw/zinc/14/48/68/1395144868.db2.gz WGAAHZZCRYUROQ-LPHOPBHVSA-N 2 0 349.494 3.027 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001483934414 1395151227 /nfs/dbraw/zinc/15/12/27/1395151227.db2.gz PQFZHPUAFYFMCP-OALUTQOASA-N 2 0 335.536 3.164 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+](CC)CC ZINC001483945497 1395156451 /nfs/dbraw/zinc/15/64/51/1395156451.db2.gz ZGHWVWUIPYEQNY-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001483951490 1395159263 /nfs/dbraw/zinc/15/92/63/1395159263.db2.gz ACEYZNYTPVLYJO-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001484023020 1395195055 /nfs/dbraw/zinc/19/50/55/1395195055.db2.gz UDTRERRUBFUWJY-CTNGQTDRSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cc(C)c(C[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001484071695 1395233633 /nfs/dbraw/zinc/23/36/33/1395233633.db2.gz RKYFCNKHAOKLJR-NRFANRHFSA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484098807 1395249507 /nfs/dbraw/zinc/24/95/07/1395249507.db2.gz ARZNIJZXMXFURZ-FQEVSTJZSA-N 2 0 340.471 3.051 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001484161680 1395295445 /nfs/dbraw/zinc/29/54/45/1395295445.db2.gz SXWUHPUXBQPDDS-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484173350 1395317122 /nfs/dbraw/zinc/31/71/22/1395317122.db2.gz FOPWIYCZTQJTKM-FQEVSTJZSA-N 2 0 335.536 3.047 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001484562189 1395448168 /nfs/dbraw/zinc/44/81/68/1395448168.db2.gz XHZPYSSPEBAPDS-IRXDYDNUSA-N 2 0 343.515 3.095 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001484640646 1395459130 /nfs/dbraw/zinc/45/91/30/1395459130.db2.gz FCJKGRNDGRKKFM-INIZCTEOSA-N 2 0 337.552 3.314 10 0 EGAERP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)C(C)(C)c1cnc[nH]1 ZINC001484765905 1395520115 /nfs/dbraw/zinc/52/01/15/1395520115.db2.gz WWOKGMBDPAIGHG-UHFFFAOYSA-N 2 0 336.524 3.294 10 0 EGAERP CCC1([NH2+]CCCC2CCC2)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001484810546 1395546220 /nfs/dbraw/zinc/54/62/20/1395546220.db2.gz AWEHYGNDHYCVOG-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@]2(CC[N@H+](CC3CCCC3)C2)C1 ZINC001484831036 1395569011 /nfs/dbraw/zinc/56/90/11/1395569011.db2.gz RHIJAVSYIKIKFF-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)CC)cc2C1 ZINC001484875388 1395578900 /nfs/dbraw/zinc/57/89/00/1395578900.db2.gz CWXGZOXDNRFIQC-MRXNPFEDSA-N 2 0 331.504 3.006 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001485040717 1395647343 /nfs/dbraw/zinc/64/73/43/1395647343.db2.gz ZMVAACWZXWSYTN-HMECNJMJSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001485164681 1395678730 /nfs/dbraw/zinc/67/87/30/1395678730.db2.gz UCDPUEXDGSVBIS-SJORKVTESA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001485194316 1395699102 /nfs/dbraw/zinc/69/91/02/1395699102.db2.gz OLWMAAXUSSFMIR-HZPDHXFCSA-N 2 0 327.557 3.273 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001485454072 1395923308 /nfs/dbraw/zinc/92/33/08/1395923308.db2.gz LZHCPIOAQYHOOW-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001485482430 1395965955 /nfs/dbraw/zinc/96/59/55/1395965955.db2.gz LPQSCCVQSIJNHQ-MSIWKICXSA-N 2 0 346.519 3.305 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001485483441 1395969748 /nfs/dbraw/zinc/96/97/48/1395969748.db2.gz WFZKYOFGHZDLKS-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[NH+](CCCC2CCC2)CC1(C)C ZINC001485571975 1396038263 /nfs/dbraw/zinc/03/82/63/1396038263.db2.gz QAJUTPYJXFVFQS-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001486090014 1396176702 /nfs/dbraw/zinc/17/67/02/1396176702.db2.gz FFYBQQRSBRSZOH-LXORQPIJSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486235236 1396185920 /nfs/dbraw/zinc/18/59/20/1396185920.db2.gz UXNMNKUSFYMKHA-JSSIJEINSA-N 2 0 337.552 3.146 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699000929 1406811580 /nfs/dbraw/zinc/81/15/80/1406811580.db2.gz GZVQJNLFBVJUOM-AZUAARDMSA-N 2 0 345.531 3.006 10 0 EGAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486239434 1396187257 /nfs/dbraw/zinc/18/72/57/1396187257.db2.gz BIZUOJPDFZKQFN-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP CCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486239432 1396187281 /nfs/dbraw/zinc/18/72/81/1396187281.db2.gz BIZUOJPDFZKQFN-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001501390014 1396192783 /nfs/dbraw/zinc/19/27/83/1396192783.db2.gz DZHSNSRZXBYOSA-IPMKNSEASA-N 2 0 349.563 3.218 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699000932 1406811041 /nfs/dbraw/zinc/81/10/41/1406811041.db2.gz GZVQJNLFBVJUOM-UYAOXDASSA-N 2 0 345.531 3.006 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699000931 1406811476 /nfs/dbraw/zinc/81/14/76/1406811476.db2.gz GZVQJNLFBVJUOM-QUCCMNQESA-N 2 0 345.531 3.006 10 0 EGAERP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699001513 1406812838 /nfs/dbraw/zinc/81/28/38/1406812838.db2.gz XNTWTSWYDLJIGA-MSOLQXFVSA-N 2 0 339.568 3.323 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001492129635 1396306554 /nfs/dbraw/zinc/30/65/54/1396306554.db2.gz ROZZHMFEHMFICN-UYAOXDASSA-N 2 0 349.563 3.482 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493830755 1396343490 /nfs/dbraw/zinc/34/34/90/1396343490.db2.gz PISPNUSTCMMWSP-JTHGQSKGSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001494057148 1396348301 /nfs/dbraw/zinc/34/83/01/1396348301.db2.gz SENZYYVTELMRQQ-KJBZUCPPSA-N 2 0 349.563 3.434 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001494081740 1396356435 /nfs/dbraw/zinc/35/64/35/1396356435.db2.gz BZMLKLSSZYPCOO-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@@H+]([C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001494713480 1396490316 /nfs/dbraw/zinc/49/03/16/1396490316.db2.gz YQGICAPQGFHDOK-LSTHTHJFSA-N 2 0 345.531 3.402 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001495814223 1396561495 /nfs/dbraw/zinc/56/14/95/1396561495.db2.gz OZRDTYCEINQIOZ-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(C)cc2)C1 ZINC001496143988 1396610342 /nfs/dbraw/zinc/61/03/42/1396610342.db2.gz GOVWJOSNRSOSMM-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001496359891 1396666426 /nfs/dbraw/zinc/66/64/26/1396666426.db2.gz RYYRKZUHQIYGJZ-ROUUACIJSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001497275410 1396743273 /nfs/dbraw/zinc/74/32/73/1396743273.db2.gz HOMARHVGLINBAG-RTBURBONSA-N 2 0 345.531 3.244 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001497298989 1396745588 /nfs/dbraw/zinc/74/55/88/1396745588.db2.gz JAAUZJPDBSZBSN-SFHVURJKSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001497690544 1396785304 /nfs/dbraw/zinc/78/53/04/1396785304.db2.gz GWTLCQOFXHGDNL-QULHZPMSSA-N 2 0 333.520 3.012 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001497798030 1396854024 /nfs/dbraw/zinc/85/40/24/1396854024.db2.gz QBPYCWRSIUGHSH-UZLBHIALSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001498044427 1396915505 /nfs/dbraw/zinc/91/55/05/1396915505.db2.gz WICXEHATLVXQQO-KRWDZBQOSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@H](c1ccccc1)N(C)C ZINC001498457536 1397005539 /nfs/dbraw/zinc/00/55/39/1397005539.db2.gz RRTPDERAXNVZOY-PXNSSMCTSA-N 2 0 345.531 3.306 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001498492380 1397036970 /nfs/dbraw/zinc/03/69/70/1397036970.db2.gz UUONQGVBNBRRKQ-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001689834697 1404164766 /nfs/dbraw/zinc/16/47/66/1404164766.db2.gz UFHIZGWBTFCYNQ-KRWDZBQOSA-N 2 0 347.547 3.435 10 0 EGAERP Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001689891033 1404187516 /nfs/dbraw/zinc/18/75/16/1404187516.db2.gz NIBKGDJVZCCHPZ-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1CCCCC1 ZINC001689970581 1404235254 /nfs/dbraw/zinc/23/52/54/1404235254.db2.gz UTILXMKZDPIVGK-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001690381325 1404513149 /nfs/dbraw/zinc/51/31/49/1404513149.db2.gz LYNCNZSRVHEYRS-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001690383726 1404515836 /nfs/dbraw/zinc/51/58/36/1404515836.db2.gz VJLDEKKMAWQUDL-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001690446077 1404569544 /nfs/dbraw/zinc/56/95/44/1404569544.db2.gz JYQONEOKFOCYHJ-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C\c1ccccc1)[NH+](C)C ZINC001690448831 1404572994 /nfs/dbraw/zinc/57/29/94/1404572994.db2.gz RKKWYJRUFUBCJV-WOQOMJGYSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690471862 1404596498 /nfs/dbraw/zinc/59/64/98/1404596498.db2.gz WQYXDNGVWDKKDF-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690628385 1404663304 /nfs/dbraw/zinc/66/33/04/1404663304.db2.gz LUOOJAQCFPSLLY-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690741700 1404704172 /nfs/dbraw/zinc/70/41/72/1404704172.db2.gz WOQDPQROVXWGNY-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CCNC(=O)CCC[NH+]1CCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001690879530 1404792670 /nfs/dbraw/zinc/79/26/70/1404792670.db2.gz LQIQJVCFKVWCBE-XLIONFOSSA-N 2 0 343.515 3.034 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001725403599 1426048125 /nfs/dbraw/zinc/04/81/25/1426048125.db2.gz IVLCZROARMJSMK-MSOLQXFVSA-N 2 0 345.531 3.272 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CCC(C)(C)CC1 ZINC001690983674 1404896891 /nfs/dbraw/zinc/89/68/91/1404896891.db2.gz UBKPSOVHJHVMOB-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001725493492 1426171604 /nfs/dbraw/zinc/17/16/04/1426171604.db2.gz FOOHRCNHKGQHJQ-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001691062631 1404987974 /nfs/dbraw/zinc/98/79/74/1404987974.db2.gz UNJDIHHMHXOXBE-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001725745481 1426422846 /nfs/dbraw/zinc/42/28/46/1426422846.db2.gz LWSHHVORBOMNAG-MJRGOJFPSA-N 2 0 349.563 3.339 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001725745480 1426422892 /nfs/dbraw/zinc/42/28/92/1426422892.db2.gz LWSHHVORBOMNAG-IPLHWJFFSA-N 2 0 349.563 3.339 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001725745479 1426422969 /nfs/dbraw/zinc/42/29/69/1426422969.db2.gz LWSHHVORBOMNAG-HPFMTEOYSA-N 2 0 349.563 3.339 10 0 EGAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691302781 1405198638 /nfs/dbraw/zinc/19/86/38/1405198638.db2.gz ZWFWQIRYVJFZGL-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001691475363 1405292103 /nfs/dbraw/zinc/29/21/03/1405292103.db2.gz OQWOHLIZFKOCGH-UUAOQSGWSA-N 2 0 335.536 3.185 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001691477943 1405293774 /nfs/dbraw/zinc/29/37/74/1405293774.db2.gz KVTDGSYUOHLETJ-YHAOFVIOSA-N 2 0 349.563 3.432 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691629032 1405366379 /nfs/dbraw/zinc/36/63/79/1405366379.db2.gz GYKXIUOJDGWZSZ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001691666591 1405400143 /nfs/dbraw/zinc/40/01/43/1405400143.db2.gz ADMMVEDFVYAZMU-KTUYXQPPSA-N 2 0 337.552 3.146 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001691697184 1405429474 /nfs/dbraw/zinc/42/94/74/1405429474.db2.gz UGNXSPAMRCXLOE-ZRAQOITDSA-N 2 0 335.536 3.042 10 0 EGAERP C[C@@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1)c1ccccc1 ZINC001691793359 1405502875 /nfs/dbraw/zinc/50/28/75/1405502875.db2.gz VKNAARXMMRHLMR-XLIONFOSSA-N 2 0 339.483 3.146 10 0 EGAERP C[C@H](C(=O)NC[C@H]([NH2+]CCCF)c1ccccc1)[NH+]1CCCCCC1 ZINC001691796215 1405507097 /nfs/dbraw/zinc/50/70/97/1405507097.db2.gz FXBRTZSVXXPTFI-MJGOQNOKSA-N 2 0 349.494 3.058 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]([NH2+]CCCF)c1ccccc1)[NH+]1CCCCCC1 ZINC001691796216 1405507282 /nfs/dbraw/zinc/50/72/82/1405507282.db2.gz FXBRTZSVXXPTFI-PKOBYXMFSA-N 2 0 349.494 3.058 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001691796717 1405508266 /nfs/dbraw/zinc/50/82/66/1405508266.db2.gz MQDXNOZLANLOLM-XLIONFOSSA-N 2 0 349.494 3.056 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731415814 1427386109 /nfs/dbraw/zinc/38/61/09/1427386109.db2.gz IPTVKFVPSAJHMC-MOPGFXCFSA-N 2 0 349.563 3.079 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691885590 1405607892 /nfs/dbraw/zinc/60/78/92/1405607892.db2.gz GNPPZSHHNKNWEB-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691889895 1405613344 /nfs/dbraw/zinc/61/33/44/1405613344.db2.gz MSCHZSQHLXQODR-HYVNUMGLSA-N 2 0 342.487 3.177 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001691926330 1405658601 /nfs/dbraw/zinc/65/86/01/1405658601.db2.gz QYXNMPNVYSSTKW-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001691938994 1405663847 /nfs/dbraw/zinc/66/38/47/1405663847.db2.gz ZPXYDDLGRNDXLC-SLFFLAALSA-N 2 0 347.547 3.093 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001691961259 1405678743 /nfs/dbraw/zinc/67/87/43/1405678743.db2.gz HBGHMVWZUSPAIA-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001691961114 1405679204 /nfs/dbraw/zinc/67/92/04/1405679204.db2.gz ZJVAAKOCSNOCND-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001691999653 1405716500 /nfs/dbraw/zinc/71/65/00/1405716500.db2.gz VIADXIJVCPLAAY-MOPGFXCFSA-N 2 0 345.531 3.177 10 0 EGAERP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001692124743 1405785832 /nfs/dbraw/zinc/78/58/32/1405785832.db2.gz PJRJKGKEVCIHGI-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001692280715 1405917999 /nfs/dbraw/zinc/91/79/99/1405917999.db2.gz BTIFDHRZBLMFBQ-NHJLWNIQSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001692336148 1405956525 /nfs/dbraw/zinc/95/65/25/1405956525.db2.gz HKDZZKKQQKUUTO-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC=C(C)C ZINC001698601301 1406226572 /nfs/dbraw/zinc/22/65/72/1406226572.db2.gz QKMBYJHHORGQJE-MSOLQXFVSA-N 2 0 335.536 3.092 10 0 EGAERP CCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732050826 1428290160 /nfs/dbraw/zinc/29/01/60/1428290160.db2.gz YWVVJWWBRYFQLM-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001732079946 1428333527 /nfs/dbraw/zinc/33/35/27/1428333527.db2.gz ITUPJBCFFIDTBB-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001732189101 1428440038 /nfs/dbraw/zinc/44/00/38/1428440038.db2.gz FOHYYZJNRGKVDB-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccsc1 ZINC001732214613 1428462755 /nfs/dbraw/zinc/46/27/55/1428462755.db2.gz AKUDUOLIRQQLMI-SFHVURJKSA-N 2 0 345.512 3.108 10 0 EGAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001732218134 1428466080 /nfs/dbraw/zinc/46/60/80/1428466080.db2.gz SPMKNQLRKHDRLN-PKOBYXMFSA-N 2 0 345.531 3.136 10 0 EGAERP CCC(CC)C[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001732258716 1428499265 /nfs/dbraw/zinc/49/92/65/1428499265.db2.gz DWWCOXKSSUXKKZ-YLJYHZDGSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@@H]2C)cc1 ZINC001732260820 1428500892 /nfs/dbraw/zinc/50/08/92/1428500892.db2.gz XNONONWYSTXSCA-RXVVDRJESA-N 2 0 345.531 3.101 10 0 EGAERP C[C@@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001732311936 1428524635 /nfs/dbraw/zinc/52/46/35/1428524635.db2.gz JBGSAUAAHPNSQM-ATZDWAIDSA-N 2 0 349.494 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001732511460 1428631232 /nfs/dbraw/zinc/63/12/32/1428631232.db2.gz HTMRBBLQERMMNJ-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001732520418 1428638924 /nfs/dbraw/zinc/63/89/24/1428638924.db2.gz YSKSWURHEBEWPR-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699160580 1412544247 /nfs/dbraw/zinc/54/42/47/1412544247.db2.gz SCYDSDGTBCAZCN-MRXNPFEDSA-N 2 0 345.531 3.282 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001699188830 1412561890 /nfs/dbraw/zinc/56/18/90/1412561890.db2.gz QZZZPQSANSDDLG-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699208420 1412575271 /nfs/dbraw/zinc/57/52/71/1412575271.db2.gz ZFZCPSOCHOUNND-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001699275279 1412609546 /nfs/dbraw/zinc/60/95/46/1412609546.db2.gz NGAVYEDGBSPYBM-DSQZMVHQSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001699333868 1412645461 /nfs/dbraw/zinc/64/54/61/1412645461.db2.gz CDEQZMTTZAAMPZ-DKLOGILVSA-N 2 0 349.906 3.005 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699375067 1412682430 /nfs/dbraw/zinc/68/24/30/1412682430.db2.gz UOTIVAZJHRKAOC-MRXNPFEDSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001699385085 1412695041 /nfs/dbraw/zinc/69/50/41/1412695041.db2.gz BBUQRHKQEJKYJP-OXQOHEQNSA-N 2 0 341.499 3.083 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699452031 1412793034 /nfs/dbraw/zinc/79/30/34/1412793034.db2.gz AGFOJGPYMHRVTQ-QGZVFWFLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCC1 ZINC001699463406 1412822266 /nfs/dbraw/zinc/82/22/66/1412822266.db2.gz HGAHQIRAAPGCDP-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699513885 1412900352 /nfs/dbraw/zinc/90/03/52/1412900352.db2.gz YEDJFMSCJDMBKH-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1CCC ZINC001699678401 1413073436 /nfs/dbraw/zinc/07/34/36/1413073436.db2.gz WAKXSUQIFNNUAE-XVLXNVKGSA-N 2 0 335.536 3.163 10 0 EGAERP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001699687879 1413088009 /nfs/dbraw/zinc/08/80/09/1413088009.db2.gz KNXBXDOPRMALRN-UXHICEINSA-N 2 0 347.547 3.116 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699751560 1413159290 /nfs/dbraw/zinc/15/92/90/1413159290.db2.gz YTXGDYVQOPQNCW-RJCMGOLDSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001699767384 1413172369 /nfs/dbraw/zinc/17/23/69/1413172369.db2.gz QSFPCCOSRHLFCR-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](c1cccc(F)c1)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001699865902 1413303881 /nfs/dbraw/zinc/30/38/81/1413303881.db2.gz VZXPQJKPTTWOCE-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001732545140 1428719674 /nfs/dbraw/zinc/71/96/74/1428719674.db2.gz SPGBQBWAZMVMKK-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699937832 1413381284 /nfs/dbraw/zinc/38/12/84/1413381284.db2.gz VDEFNFKOIWRJNG-HNGSOEQISA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001699978243 1413422402 /nfs/dbraw/zinc/42/24/02/1413422402.db2.gz WFHKMGZKVHEPDF-ACDBMABISA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001732549658 1428728965 /nfs/dbraw/zinc/72/89/65/1428728965.db2.gz YLRGRFBDUGSMQZ-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)[C@@H]2C1 ZINC001700020146 1413467379 /nfs/dbraw/zinc/46/73/79/1413467379.db2.gz LRECDYQSMUGSCR-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700068516 1413484163 /nfs/dbraw/zinc/48/41/63/1413484163.db2.gz OEVDOTNKPKGVFY-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001700178427 1413588530 /nfs/dbraw/zinc/58/85/30/1413588530.db2.gz HYCGVXLEFHDEPU-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP C[C@H]1CCC[C@@H](CC[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001700203300 1413647423 /nfs/dbraw/zinc/64/74/23/1413647423.db2.gz KGTJZDBVFWLVGM-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001700229787 1413687673 /nfs/dbraw/zinc/68/76/73/1413687673.db2.gz LVVVKQPUEBNYQF-IZRJCCQOSA-N 2 0 349.563 3.389 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001700230701 1413688574 /nfs/dbraw/zinc/68/85/74/1413688574.db2.gz UOQWUMSKSYSRTJ-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H](C)[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001700272549 1413718403 /nfs/dbraw/zinc/71/84/03/1413718403.db2.gz CJCRHVXWPPVPLP-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001732561145 1428751207 /nfs/dbraw/zinc/75/12/07/1428751207.db2.gz SZQNZILADJRNTD-WOJBJXKFSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1=CCCCC1 ZINC001700328155 1413799566 /nfs/dbraw/zinc/79/95/66/1413799566.db2.gz URSPLVDFZQGVRC-KRWDZBQOSA-N 2 0 343.515 3.347 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001700340566 1413820531 /nfs/dbraw/zinc/82/05/31/1413820531.db2.gz AFQDHXICZYORJT-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001700353303 1413851530 /nfs/dbraw/zinc/85/15/30/1413851530.db2.gz DVSCQXVQILUCMB-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001700418302 1413964755 /nfs/dbraw/zinc/96/47/55/1413964755.db2.gz ROFLHEGPEDBUOP-MSOLQXFVSA-N 2 0 345.531 3.018 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700438079 1414007392 /nfs/dbraw/zinc/00/73/92/1414007392.db2.gz UXKDERXKSKMDFA-GKWLJOEVSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CCCC(C)(C)C)C1 ZINC001700445368 1414021029 /nfs/dbraw/zinc/02/10/29/1414021029.db2.gz MLCAOQNRZAOWHK-QGZVFWFLSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001700465396 1414071059 /nfs/dbraw/zinc/07/10/59/1414071059.db2.gz DJEPNRALWBVETD-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001700515327 1414166232 /nfs/dbraw/zinc/16/62/32/1414166232.db2.gz BCUBHXLMFVDMMD-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688333 1414341152 /nfs/dbraw/zinc/34/11/52/1414341152.db2.gz DLACNKSADAVWGD-PKOBYXMFSA-N 2 0 335.536 3.236 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(CCC[NH2+]C(C)C)Cc1ccccc1 ZINC001700702175 1414360826 /nfs/dbraw/zinc/36/08/26/1414360826.db2.gz MOCQSUVYMXNMCJ-HXUWFJFHSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700749299 1414418841 /nfs/dbraw/zinc/41/88/41/1414418841.db2.gz NPVRQAFZEHKNGA-OFCQAKPVSA-N 2 0 343.515 3.009 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700759578 1414431972 /nfs/dbraw/zinc/43/19/72/1414431972.db2.gz ILLIHMBOJWEMKK-CVEARBPZSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001700765554 1414440241 /nfs/dbraw/zinc/44/02/41/1414440241.db2.gz QUJZFWCLJMHMCI-AOIWGVFYSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001700769864 1414447770 /nfs/dbraw/zinc/44/77/70/1414447770.db2.gz FMHXXWCEXPWBQA-ROUUACIJSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001700827422 1414482970 /nfs/dbraw/zinc/48/29/70/1414482970.db2.gz CMSYSRREGYQXDQ-VURNCLMJSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC3CCC3)C[C@@H]2C)CC1 ZINC001700850757 1414498738 /nfs/dbraw/zinc/49/87/38/1414498738.db2.gz SRYHWOVWCPDXSJ-FXAWDEMLSA-N 2 0 349.563 3.266 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCC1)CC2)CC(C)(C)C ZINC001700863525 1414513113 /nfs/dbraw/zinc/51/31/13/1414513113.db2.gz NYAXHPJPVOIEQM-WIYYLYMNSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001700863876 1414513977 /nfs/dbraw/zinc/51/39/77/1414513977.db2.gz CWVHEPNNJKUKKA-DBXWQHBBSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](CCCC2CCC2)CC3)CC1 ZINC001700864449 1414515513 /nfs/dbraw/zinc/51/55/13/1414515513.db2.gz RSLNSSAKLRYRPV-NQIIRXRSSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001700866541 1414518316 /nfs/dbraw/zinc/51/83/16/1414518316.db2.gz YLDJCISAUSCLOH-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCCCC1)CC2)[NH+](C)C ZINC001700867945 1414520439 /nfs/dbraw/zinc/52/04/39/1414520439.db2.gz PKOOOPIGYADMFF-SBHAEUEKSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001700891708 1414550832 /nfs/dbraw/zinc/55/08/32/1414550832.db2.gz NMWYALLEIJEHCH-RDJZCZTQSA-N 2 0 349.544 3.098 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001701008654 1414666357 /nfs/dbraw/zinc/66/63/57/1414666357.db2.gz VDKDVDJNEFNHBM-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H]([NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001701030459 1414692477 /nfs/dbraw/zinc/69/24/77/1414692477.db2.gz UULHJBVRGSYFAY-ACBHZAAOSA-N 2 0 349.494 3.196 10 0 EGAERP CC[C@@H]([NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001701030461 1414692885 /nfs/dbraw/zinc/69/28/85/1414692885.db2.gz UULHJBVRGSYFAY-CTWPCTMYSA-N 2 0 349.494 3.196 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001701059181 1414714948 /nfs/dbraw/zinc/71/49/48/1414714948.db2.gz UOYJSOFFCXONHM-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001701062411 1414718882 /nfs/dbraw/zinc/71/88/82/1414718882.db2.gz AQVRGKJMRPHCDQ-ICSRJNTNSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001701062412 1414719390 /nfs/dbraw/zinc/71/93/90/1414719390.db2.gz AQVRGKJMRPHCDQ-QUCCMNQESA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001732597479 1428838420 /nfs/dbraw/zinc/83/84/20/1428838420.db2.gz NECDHRXGPDMHIX-RTBURBONSA-N 2 0 345.531 3.066 10 0 EGAERP CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001732806746 1428984939 /nfs/dbraw/zinc/98/49/39/1428984939.db2.gz IMMHNWYPWGTPDX-UHFFFAOYSA-N 2 0 346.519 3.096 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941872 1429065946 /nfs/dbraw/zinc/06/59/46/1429065946.db2.gz HCBZELMPCAJKLG-GHOSXJJBSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732967120 1429091968 /nfs/dbraw/zinc/09/19/68/1429091968.db2.gz ABDPMHIHQOXQSF-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001733026389 1429145377 /nfs/dbraw/zinc/14/53/77/1429145377.db2.gz BHIHXWGWFHEZCX-PKOBYXMFSA-N 2 0 349.563 3.172 10 0 EGAERP CN(C[C@H]1CC[N@@H+]1CCCC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001707049216 1417161522 /nfs/dbraw/zinc/16/15/22/1417161522.db2.gz XGTWRAFOHKFSEP-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001707070569 1417183018 /nfs/dbraw/zinc/18/30/18/1417183018.db2.gz VFWPTANCULKQHE-QRVBRYPASA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001707074131 1417185550 /nfs/dbraw/zinc/18/55/50/1417185550.db2.gz MGEASJJJCRHQGL-HDICACEKSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001707107349 1417204275 /nfs/dbraw/zinc/20/42/75/1417204275.db2.gz NEXYWFILWWUCKT-RBUKOAKNSA-N 2 0 349.563 3.317 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001733039828 1429167373 /nfs/dbraw/zinc/16/73/73/1429167373.db2.gz YZCDHLYUTWECSY-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001707146044 1417221871 /nfs/dbraw/zinc/22/18/71/1417221871.db2.gz XCFKOJLBGQMUHJ-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1c(C(=O)N(C)CCCCCC[NH2+]C(C)C)ccc2c[nH+]cn21 ZINC001707183746 1417234040 /nfs/dbraw/zinc/23/40/40/1417234040.db2.gz KLTISQSDFZZSRY-UHFFFAOYSA-N 2 0 330.476 3.273 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCCC3)[C@H]2C1(C)C ZINC001707184695 1417234652 /nfs/dbraw/zinc/23/46/52/1417234652.db2.gz IJKRIVQNFFWKBU-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001707204053 1417243775 /nfs/dbraw/zinc/24/37/75/1417243775.db2.gz HQYBKURPIAFMII-XCLUONLBSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCC(C)C)C2)CC[N@@H+]1C ZINC001707235850 1417256515 /nfs/dbraw/zinc/25/65/15/1417256515.db2.gz FNNRBPUQFSJIBI-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001707376466 1417300795 /nfs/dbraw/zinc/30/07/95/1417300795.db2.gz ABCVEEOKICKQQY-PKOBYXMFSA-N 2 0 331.504 3.059 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(C)c1 ZINC001707424892 1417331649 /nfs/dbraw/zinc/33/16/49/1417331649.db2.gz ZGASKGNINMZDGM-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001707437948 1417342225 /nfs/dbraw/zinc/34/22/25/1417342225.db2.gz QNKSKFNBUOZFDK-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001712998063 1417550243 /nfs/dbraw/zinc/55/02/43/1417550243.db2.gz CBHOEHBNCSWCIA-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713054914 1417607171 /nfs/dbraw/zinc/60/71/71/1417607171.db2.gz YVXPEGHBOBKECT-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001713116676 1417681312 /nfs/dbraw/zinc/68/13/12/1417681312.db2.gz ILXVLLULVGARRK-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713196151 1417767183 /nfs/dbraw/zinc/76/71/83/1417767183.db2.gz NYCVUWIHBMFBEC-YRXWBPOGSA-N 2 0 337.552 3.026 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001713208133 1417777886 /nfs/dbraw/zinc/77/78/86/1417777886.db2.gz BSJZLFRIVDGLDM-KDURUIRLSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713246923 1417832989 /nfs/dbraw/zinc/83/29/89/1417832989.db2.gz UTQBDHBLEAVMDV-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713268940 1417878487 /nfs/dbraw/zinc/87/84/87/1417878487.db2.gz MNNBTALUXACILH-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713349103 1417968178 /nfs/dbraw/zinc/96/81/78/1417968178.db2.gz CPJYEWDHBBMELY-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cccc(C[N@@H+](C)[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001713400046 1418021759 /nfs/dbraw/zinc/02/17/59/1418021759.db2.gz YSYCNZNGEJZEBF-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001733101269 1429242733 /nfs/dbraw/zinc/24/27/33/1429242733.db2.gz UHHTZDOZOKTALE-SFHVURJKSA-N 2 0 345.531 3.450 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC1=CCCCC1)C1CC1 ZINC001713557264 1418351146 /nfs/dbraw/zinc/35/11/46/1418351146.db2.gz NQCKBYCRMGZOMU-HXUWFJFHSA-N 2 0 347.547 3.330 10 0 EGAERP CC[NH2+][C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001713697089 1418452186 /nfs/dbraw/zinc/45/21/86/1418452186.db2.gz CTZQVNOVPWJRCS-VQTJNVASSA-N 2 0 345.531 3.451 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697610 1418452645 /nfs/dbraw/zinc/45/26/45/1418452645.db2.gz ICPIDUUTQPDOEM-PXNSSMCTSA-N 2 0 345.531 3.307 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCC[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001713740357 1418541060 /nfs/dbraw/zinc/54/10/60/1418541060.db2.gz RFYLTNUZGCIONJ-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804929 1418617767 /nfs/dbraw/zinc/61/77/67/1418617767.db2.gz UENRHNCUKVTCMU-OBNUAKFSSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001713908853 1418705856 /nfs/dbraw/zinc/70/58/56/1418705856.db2.gz ZZPHCHQHZGBEHY-LNABZBCASA-N 2 0 345.531 3.035 10 0 EGAERP CC1CCC(C[N@H+]2C[C@H]3CC[C@@H](C2)N3C(=O)CCCC[NH+](C)C)CC1 ZINC001713912996 1418709320 /nfs/dbraw/zinc/70/93/20/1418709320.db2.gz QSFNOATZDFKBOP-KHSMEXAKSA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713969091 1418748122 /nfs/dbraw/zinc/74/81/22/1418748122.db2.gz XSQVELHUSRVUHP-GUDVDZBRSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001713992915 1418771986 /nfs/dbraw/zinc/77/19/86/1418771986.db2.gz CNPGOSJFQDHPQC-XMTFNYHQSA-N 2 0 335.536 3.066 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)CC(C)(C)C ZINC001714007998 1418787101 /nfs/dbraw/zinc/78/71/01/1418787101.db2.gz RQVFSYXGMNZBFA-HDICACEKSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714047764 1418843969 /nfs/dbraw/zinc/84/39/69/1418843969.db2.gz HKEUYMNJGAHGRE-XSXCZSQGSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001714099150 1418895009 /nfs/dbraw/zinc/89/50/09/1418895009.db2.gz UUUMYOSRXCJXFT-IBGZPJMESA-N 2 0 347.547 3.165 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCC(C)(C)C ZINC001714106311 1418905434 /nfs/dbraw/zinc/90/54/34/1418905434.db2.gz JFKAHZHARNPXGG-IAGOWNOFSA-N 2 0 325.541 3.170 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCC[C@@H]1CNC(=O)CCC[NH+]1CCCCC1 ZINC001714117886 1418921510 /nfs/dbraw/zinc/92/15/10/1418921510.db2.gz FQZHOORIILWZSU-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C ZINC001714125001 1418929311 /nfs/dbraw/zinc/92/93/11/1418929311.db2.gz LNFOBGGWMPSNMV-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001714144020 1418947023 /nfs/dbraw/zinc/94/70/23/1418947023.db2.gz ITGGQWYSIDBHQP-RBUKOAKNSA-N 2 0 335.536 3.118 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001714146591 1418951170 /nfs/dbraw/zinc/95/11/70/1418951170.db2.gz YQCFNJWAMIULSI-WOJBJXKFSA-N 2 0 347.547 3.284 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001714155191 1418964443 /nfs/dbraw/zinc/96/44/43/1418964443.db2.gz FBIWRASFOXHEOJ-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCC1CCCCC1)C1CC1 ZINC001714169858 1418977983 /nfs/dbraw/zinc/97/79/83/1418977983.db2.gz OPJPFIKXYXNBGN-FPOVZHCZSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001714216703 1419013935 /nfs/dbraw/zinc/01/39/35/1419013935.db2.gz PWHJVWUKUBHXEP-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001714309737 1419089733 /nfs/dbraw/zinc/08/97/33/1419089733.db2.gz QHUUIQFDGJBWKK-FXAWDEMLSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714399575 1419143399 /nfs/dbraw/zinc/14/33/99/1419143399.db2.gz JGARMCSOWTZRCY-APWZRJJASA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C[NH2+]CC1CCCC1 ZINC001714406452 1419147631 /nfs/dbraw/zinc/14/76/31/1419147631.db2.gz GQRKUEHAHGZQST-MRXNPFEDSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714421977 1419157550 /nfs/dbraw/zinc/15/75/50/1419157550.db2.gz DPDQEHFZVZHPRU-MJGOQNOKSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433245 1419165961 /nfs/dbraw/zinc/16/59/61/1419165961.db2.gz BBHFKOGUKMGXPH-ZWKOTPCHSA-N 2 0 339.568 3.418 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001714523285 1419249270 /nfs/dbraw/zinc/24/92/70/1419249270.db2.gz IRKQRWQPXNRQJD-KDURUIRLSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001714630706 1419401241 /nfs/dbraw/zinc/40/12/41/1419401241.db2.gz AHNRTKJLULTFPW-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001714633203 1419404430 /nfs/dbraw/zinc/40/44/30/1419404430.db2.gz LOWRHFHCYHEXJP-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001714640995 1419412893 /nfs/dbraw/zinc/41/28/93/1419412893.db2.gz TVTDCDZZBGQYRG-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001714731189 1419486569 /nfs/dbraw/zinc/48/65/69/1419486569.db2.gz RUURXTFOZCQWCY-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001714779567 1419505618 /nfs/dbraw/zinc/50/56/18/1419505618.db2.gz DPOKAZKTSKWAQO-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714860948 1419582820 /nfs/dbraw/zinc/58/28/20/1419582820.db2.gz ASXMJBFUMPGFPW-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714870512 1419600175 /nfs/dbraw/zinc/60/01/75/1419600175.db2.gz HXHJQCZCQIRPCU-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714892847 1419632303 /nfs/dbraw/zinc/63/23/03/1419632303.db2.gz WIMMOTWLDFYVRL-COJDAZNPSA-N 2 0 349.563 3.386 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001714974276 1419709039 /nfs/dbraw/zinc/70/90/39/1419709039.db2.gz IDYKCASTYUCZEB-ICSRJNTNSA-N 2 0 349.563 3.316 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CCC2CC2)C2CCCCC2)CC1 ZINC001714977845 1419712978 /nfs/dbraw/zinc/71/29/78/1419712978.db2.gz JFMTYBMOPBFVGE-HXUWFJFHSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCCC1 ZINC001714981617 1419716315 /nfs/dbraw/zinc/71/63/15/1419716315.db2.gz YMVCIUTZXGADRE-LJQANCHMSA-N 2 0 342.487 3.321 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715032325 1419765130 /nfs/dbraw/zinc/76/51/30/1419765130.db2.gz QLOXPDBTHAUTOU-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001715062650 1419801479 /nfs/dbraw/zinc/80/14/79/1419801479.db2.gz HTSUYARINGGOOT-RTBURBONSA-N 2 0 347.547 3.309 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071075 1419806143 /nfs/dbraw/zinc/80/61/43/1419806143.db2.gz BOZIBQVJJIVNAW-LPHOPBHVSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715088906 1419828722 /nfs/dbraw/zinc/82/87/22/1419828722.db2.gz XBZDZDAGOMSPKC-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001715137673 1419886254 /nfs/dbraw/zinc/88/62/54/1419886254.db2.gz ZDDAMFIPHSTCJG-FXAWDEMLSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)CCC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001715149779 1419894864 /nfs/dbraw/zinc/89/48/64/1419894864.db2.gz WPAQUIBEWKRWQJ-RXVVDRJESA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001715190414 1419922735 /nfs/dbraw/zinc/92/27/35/1419922735.db2.gz JOFRZBLRGCXIIR-IYARVYRRSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc(C[NH2+]CC2CC(C)(C)C2)cc1 ZINC001715199420 1419931357 /nfs/dbraw/zinc/93/13/57/1419931357.db2.gz INNNWZABXBMSHQ-UHFFFAOYSA-N 2 0 345.531 3.169 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1)CC(C)(C)C ZINC001715210324 1419943244 /nfs/dbraw/zinc/94/32/44/1419943244.db2.gz MPESOWNSMMQPSM-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001715223625 1419957178 /nfs/dbraw/zinc/95/71/78/1419957178.db2.gz QUHFXSJDLJDGOP-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001715236131 1419966998 /nfs/dbraw/zinc/96/69/98/1419966998.db2.gz NILLCFKJQRHVGS-YLJYHZDGSA-N 2 0 345.531 3.020 10 0 EGAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001715252890 1419976837 /nfs/dbraw/zinc/97/68/37/1419976837.db2.gz NZLVNJQSZMOTGT-INIZCTEOSA-N 2 0 335.492 3.116 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001715274609 1419990076 /nfs/dbraw/zinc/99/00/76/1419990076.db2.gz XWPHXJMWFFQCCU-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CCCCC3)CCCC2)CC1 ZINC001715305332 1420014031 /nfs/dbraw/zinc/01/40/31/1420014031.db2.gz VWPUKPZDBXPKHY-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715353889 1420054079 /nfs/dbraw/zinc/05/40/79/1420054079.db2.gz KQGJOKFICOIIPC-ROUUACIJSA-N 2 0 345.531 3.367 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441184 1420126314 /nfs/dbraw/zinc/12/63/14/1420126314.db2.gz YAVKWOVFVQDZTR-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001715482122 1420160914 /nfs/dbraw/zinc/16/09/14/1420160914.db2.gz WMIKZAKYYJPZPI-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]CC1CCCC1 ZINC001715483768 1420163182 /nfs/dbraw/zinc/16/31/82/1420163182.db2.gz ZQYXRNPWEPMXSO-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001715522913 1420210269 /nfs/dbraw/zinc/21/02/69/1420210269.db2.gz QAPVZUVPFCKEJV-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001715532429 1420224082 /nfs/dbraw/zinc/22/40/82/1420224082.db2.gz XHCGIQMDFGEOOY-UHFFFAOYSA-N 2 0 345.531 3.042 10 0 EGAERP CCc1cccc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)c1 ZINC001715539925 1420237980 /nfs/dbraw/zinc/23/79/80/1420237980.db2.gz RAHHREUBTYDYBR-HDICACEKSA-N 2 0 345.531 3.012 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715561779 1420253721 /nfs/dbraw/zinc/25/37/21/1420253721.db2.gz SOWQOWIZPRMXQB-WLMAVBAVSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001715674378 1420289177 /nfs/dbraw/zinc/28/91/77/1420289177.db2.gz KGQFAOFKQHGNQD-FHWLQOOXSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001715730183 1420314885 /nfs/dbraw/zinc/31/48/85/1420314885.db2.gz PJLWWGRNHPEWHN-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715735976 1420318935 /nfs/dbraw/zinc/31/89/35/1420318935.db2.gz YTDQZWDPWDTVQI-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(C)c1 ZINC001715820998 1420356824 /nfs/dbraw/zinc/35/68/24/1420356824.db2.gz DLAXXLOPEDZBML-WYTZPYIFSA-N 2 0 343.515 3.192 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001715998407 1420452470 /nfs/dbraw/zinc/45/24/70/1420452470.db2.gz KLZGKVCBBCWKKY-ZWKOTPCHSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)cc1C ZINC001716023236 1420478683 /nfs/dbraw/zinc/47/86/83/1420478683.db2.gz IVJVOYKIMMCKJP-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](C[N@H+](C)CC/C=C\c1ccccc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001716031171 1420489774 /nfs/dbraw/zinc/48/97/74/1420489774.db2.gz ZWUDCERHXMEKMA-OTKCHZASSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001716076477 1420530461 /nfs/dbraw/zinc/53/04/61/1420530461.db2.gz ZJKFWRLKQSSQIM-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716178541 1420554036 /nfs/dbraw/zinc/55/40/36/1420554036.db2.gz AVFAZPBEOQASGK-IAGOWNOFSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001716293464 1420595911 /nfs/dbraw/zinc/59/59/11/1420595911.db2.gz FTIZDKVUXLLSPD-PLNGDYQASA-N 2 0 347.547 3.093 10 0 EGAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001716351018 1420614084 /nfs/dbraw/zinc/61/40/84/1420614084.db2.gz RKAZXOIJWGRTAZ-RRFGBZISSA-N 2 0 343.515 3.020 10 0 EGAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001716351023 1420614954 /nfs/dbraw/zinc/61/49/54/1420614954.db2.gz RLFWWONIMUWVDK-SHCNBLLESA-N 2 0 347.547 3.093 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)C(C)(C)c2cnc[nH]2)c1 ZINC001716579527 1420766451 /nfs/dbraw/zinc/76/64/51/1420766451.db2.gz UNJIZHXPHBPIDH-MRXNPFEDSA-N 2 0 342.487 3.195 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001716587038 1420769462 /nfs/dbraw/zinc/76/94/62/1420769462.db2.gz OAZKQJLPBHKYQV-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CCc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001716587379 1420769786 /nfs/dbraw/zinc/76/97/86/1420769786.db2.gz ZHMJZOHFGAVBLB-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001716706397 1420860529 /nfs/dbraw/zinc/86/05/29/1420860529.db2.gz OPQNACZFAMQKBH-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001716707687 1420861802 /nfs/dbraw/zinc/86/18/02/1420861802.db2.gz ZJCDHRMPGQFCQB-VBZNHOPUSA-N 2 0 335.536 3.019 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](CC)CC ZINC001716784019 1420920529 /nfs/dbraw/zinc/92/05/29/1420920529.db2.gz GKKWOIDRLSOXOM-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975956 1421059321 /nfs/dbraw/zinc/05/93/21/1421059321.db2.gz VIBOUUZKQIHURD-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975957 1421059330 /nfs/dbraw/zinc/05/93/30/1421059330.db2.gz VIBOUUZKQIHURD-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC1CCC1 ZINC001717035752 1421089452 /nfs/dbraw/zinc/08/94/52/1421089452.db2.gz AALLVGNFFQBZQA-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717196509 1421162693 /nfs/dbraw/zinc/16/26/93/1421162693.db2.gz FXYQYPAQEHRIMF-GNAXCBTBSA-N 2 0 347.547 3.189 10 0 EGAERP CCC1([NH2+]Cc2ccsc2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717237870 1421205913 /nfs/dbraw/zinc/20/59/13/1421205913.db2.gz APDNJEOTFWTCKQ-UHFFFAOYSA-N 2 0 349.544 3.093 10 0 EGAERP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001717239851 1421208062 /nfs/dbraw/zinc/20/80/62/1421208062.db2.gz AHTRKLWYEDVYRZ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCCC(C)(C)C)C2)C1 ZINC001717247594 1421218918 /nfs/dbraw/zinc/21/89/18/1421218918.db2.gz KWFKOFGILRBIOL-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310919 1421254604 /nfs/dbraw/zinc/25/46/04/1421254604.db2.gz QAMFPNFCWCGIMJ-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001717335905 1421272875 /nfs/dbraw/zinc/27/28/75/1421272875.db2.gz MVYMYYSGHLWIFU-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717366203 1421301248 /nfs/dbraw/zinc/30/12/48/1421301248.db2.gz VQNLGJQZIZPHMS-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC1CCC1 ZINC001717368148 1421304843 /nfs/dbraw/zinc/30/48/43/1421304843.db2.gz YLEJLKMXSLIMAT-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001717375998 1421318138 /nfs/dbraw/zinc/31/81/38/1421318138.db2.gz IFNSAMQKGIAXNO-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001717377003 1421319754 /nfs/dbraw/zinc/31/97/54/1421319754.db2.gz CUWANSVSCXXYPA-WOJBJXKFSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC001717472355 1421405758 /nfs/dbraw/zinc/40/57/58/1421405758.db2.gz KUYRXVJAOUXMQN-YTQUADARSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H](C)[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001717494672 1421434473 /nfs/dbraw/zinc/43/44/73/1421434473.db2.gz NMFQDPTZCIDXQU-ZWKOTPCHSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CC1 ZINC001717538667 1421477290 /nfs/dbraw/zinc/47/72/90/1421477290.db2.gz LKAKDHBAESCNLP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCCCCC2)C1 ZINC001717551695 1421489388 /nfs/dbraw/zinc/48/93/88/1421489388.db2.gz XZLIHRSQAQIAPJ-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001717564307 1421499263 /nfs/dbraw/zinc/49/92/63/1421499263.db2.gz FJCXTPABPKMYIX-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@]2(C)C[N@H+](CCC3CCCCC3)C[C@]2(C)C1 ZINC001717631197 1421541001 /nfs/dbraw/zinc/54/10/01/1421541001.db2.gz PKCBGXNBQBMEBF-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001717632595 1421542175 /nfs/dbraw/zinc/54/21/75/1421542175.db2.gz NMOSOOUJYKLEOF-ROSYVIOISA-N 2 0 349.563 3.245 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1ccccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001717670295 1421559806 /nfs/dbraw/zinc/55/98/06/1421559806.db2.gz CPHSXZNYLVGTHF-HZPDHXFCSA-N 2 0 349.494 3.246 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696517 1421570628 /nfs/dbraw/zinc/57/06/28/1421570628.db2.gz VLJPVAAQIFMUMI-QUCCMNQESA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730261 1421596541 /nfs/dbraw/zinc/59/65/41/1421596541.db2.gz SVGQDGGTNCQFLB-VQTJNVASSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC001717758656 1421621377 /nfs/dbraw/zinc/62/13/77/1421621377.db2.gz ZHDMULWYJLRRHM-MAUKXSAKSA-N 2 0 337.483 3.054 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001717795067 1421626293 /nfs/dbraw/zinc/62/62/93/1421626293.db2.gz DBNYQIUUMGWGAX-PWBPZBFBSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCC1=CCCCC1)CC2 ZINC001717840555 1421655650 /nfs/dbraw/zinc/65/56/50/1421655650.db2.gz JMDZTHDPGMNIGJ-CTNGQTDRSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001717856273 1421668806 /nfs/dbraw/zinc/66/88/06/1421668806.db2.gz QTPVXIMQBGMLME-ROUUACIJSA-N 2 0 335.536 3.164 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873880 1421681377 /nfs/dbraw/zinc/68/13/77/1421681377.db2.gz WTCJFCMKCJWGAL-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895004 1421692808 /nfs/dbraw/zinc/69/28/08/1421692808.db2.gz BTGRXWINKGSUDF-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001717901004 1421697298 /nfs/dbraw/zinc/69/72/98/1421697298.db2.gz UXNMNKUSFYMKHA-FWGLOVMOSA-N 2 0 337.552 3.146 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C ZINC001717973831 1421745705 /nfs/dbraw/zinc/74/57/05/1421745705.db2.gz MMNWKBUPUZMPCP-IBGZPJMESA-N 2 0 347.547 3.264 10 0 EGAERP CC1CC(C[NH+]2CCC(C3(NC(=O)CCCC[NH+](C)C)CC3)CC2)C1 ZINC001718004055 1421770827 /nfs/dbraw/zinc/77/08/27/1421770827.db2.gz AWIKDPBUEXMBTN-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001718004481 1421771096 /nfs/dbraw/zinc/77/10/96/1421771096.db2.gz SOPDWRPHXZXXNB-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)C1 ZINC001733327868 1429513195 /nfs/dbraw/zinc/51/31/95/1429513195.db2.gz MGHRHDOXDOIJGZ-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001733357075 1429538852 /nfs/dbraw/zinc/53/88/52/1429538852.db2.gz QGOBUHSQEZWYPI-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[NH+]1CCC(C)(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001733361520 1429545809 /nfs/dbraw/zinc/54/58/09/1429545809.db2.gz ZQVFFAQCMQJNCC-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001733378575 1429562186 /nfs/dbraw/zinc/56/21/86/1429562186.db2.gz AYFUKYADIVJHTH-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001733392359 1429582829 /nfs/dbraw/zinc/58/28/29/1429582829.db2.gz CMLLDPJDOQEGBS-POBZOTIWSA-N 2 0 349.563 3.388 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001733419162 1429624590 /nfs/dbraw/zinc/62/45/90/1429624590.db2.gz TYLGGYGPLGFUOS-GHTZIAJQSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001722907873 1424241388 /nfs/dbraw/zinc/24/13/88/1424241388.db2.gz UUPQBVKJLWDXRF-QGZVFWFLSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1)[NH+]1CCCC1 ZINC001722915467 1424250756 /nfs/dbraw/zinc/25/07/56/1424250756.db2.gz GZDWIMRPTNHIMB-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCC(C)CC1 ZINC001723021400 1424288783 /nfs/dbraw/zinc/28/87/83/1424288783.db2.gz BNAVBFUWXJLLQM-CTWPCTMYSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001723043086 1424292178 /nfs/dbraw/zinc/29/21/78/1424292178.db2.gz AITOWDJVYGTWMG-RBUKOAKNSA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@H](C(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1)[NH+](CC)CC ZINC001723558629 1424464348 /nfs/dbraw/zinc/46/43/48/1424464348.db2.gz QBXDKJAMDVDAIE-RTBURBONSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)[NH+]1CCCCC1 ZINC001723595306 1424481170 /nfs/dbraw/zinc/48/11/70/1424481170.db2.gz OHPNIFMMERNYJY-LJQANCHMSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001723616800 1424494918 /nfs/dbraw/zinc/49/49/18/1424494918.db2.gz DWDPVVVTUJBQRD-IHWFROFDSA-N 2 0 349.563 3.410 10 0 EGAERP CCCC[N@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001723647136 1424510068 /nfs/dbraw/zinc/51/00/68/1424510068.db2.gz GDGPUYNYALUOID-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733530569 1429737141 /nfs/dbraw/zinc/73/71/41/1429737141.db2.gz AUYFQNTVMXHCOS-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC[N@@H+]1C ZINC001723938108 1424609357 /nfs/dbraw/zinc/60/93/57/1424609357.db2.gz TXFDXIPLXQYEIR-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001724088484 1424655420 /nfs/dbraw/zinc/65/54/20/1424655420.db2.gz ICKBJECJKAOKKX-LJQANCHMSA-N 2 0 347.547 3.093 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733539711 1429745565 /nfs/dbraw/zinc/74/55/65/1429745565.db2.gz ZCULXEKFTJWEPK-CQQBRXBZSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733539712 1429745740 /nfs/dbraw/zinc/74/57/40/1429745740.db2.gz ZCULXEKFTJWEPK-WYNBNGFRSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001724307330 1424790484 /nfs/dbraw/zinc/79/04/84/1424790484.db2.gz ZJRNCOCAVZBLTL-SFHVURJKSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001724321465 1424806637 /nfs/dbraw/zinc/80/66/37/1424806637.db2.gz JAEXMGRDGDUOPS-QFUCXCTJSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001724599501 1424930167 /nfs/dbraw/zinc/93/01/67/1424930167.db2.gz FNGUIGHYZGIGOR-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(C)C ZINC001724654318 1425018102 /nfs/dbraw/zinc/01/81/02/1425018102.db2.gz MCZRVOCVCJXASY-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001724741351 1425107922 /nfs/dbraw/zinc/10/79/22/1425107922.db2.gz KDTWKJHDOAOZSN-ZYSHUDEJSA-N 2 0 331.504 3.094 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001724753105 1425123069 /nfs/dbraw/zinc/12/30/69/1425123069.db2.gz XWKCPIPUBXYEQC-IAGOWNOFSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001724839983 1425188823 /nfs/dbraw/zinc/18/88/23/1425188823.db2.gz VPSSODOFAAWNLY-WLMAVBAVSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001724859422 1425241512 /nfs/dbraw/zinc/24/15/12/1425241512.db2.gz DWBWDOQJKHLBRI-INIZCTEOSA-N 2 0 337.483 3.007 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724895939 1425288476 /nfs/dbraw/zinc/28/84/76/1425288476.db2.gz CVMJWUHPQFXEPQ-QEVIJRNUSA-N 2 0 349.563 3.389 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]Cc2ccccc2F)CC1 ZINC001724960159 1425348159 /nfs/dbraw/zinc/34/81/59/1425348159.db2.gz HFEBDZKMWCEPQO-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CC1([NH2+]CCC2CCCC2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001724963936 1425353369 /nfs/dbraw/zinc/35/33/69/1425353369.db2.gz XDQFLBNYKCXBFC-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001724964524 1425355458 /nfs/dbraw/zinc/35/54/58/1425355458.db2.gz BGNCFHFTPAXFRU-ATESFJAQSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)[NH+](C)C ZINC001724966660 1425359276 /nfs/dbraw/zinc/35/92/76/1425359276.db2.gz PQHNUVDJWBNGNS-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001725002406 1425412060 /nfs/dbraw/zinc/41/20/60/1425412060.db2.gz LFPVLTZJUSROAA-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C)[NH+](CC)CC ZINC001725033249 1425455323 /nfs/dbraw/zinc/45/53/23/1425455323.db2.gz QWAPLPCEWURDGJ-VAMGGRTRSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@H]2CCC[N@H+](CC)C2)CC1)[NH+](CC)CC ZINC001725055233 1425490699 /nfs/dbraw/zinc/49/06/99/1425490699.db2.gz JCFPUWFRNDNJQQ-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725058391 1425497891 /nfs/dbraw/zinc/49/78/91/1425497891.db2.gz KKGAFVNBSTWPCU-FXAWDEMLSA-N 2 0 345.531 3.331 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001725068216 1425509208 /nfs/dbraw/zinc/50/92/08/1425509208.db2.gz ANMDFIXTOPTKHK-UHFFFAOYSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001725116039 1425574571 /nfs/dbraw/zinc/57/45/71/1425574571.db2.gz UCIGKERPZKYLBV-DLBZAZTESA-N 2 0 345.531 3.425 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001725131616 1425601177 /nfs/dbraw/zinc/60/11/77/1425601177.db2.gz VDISQUSUENAHQK-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@H]2C1 ZINC001725335341 1425980392 /nfs/dbraw/zinc/98/03/92/1425980392.db2.gz OJGWOSLGLUVYCO-HBTDMPEGSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725452501 1426118114 /nfs/dbraw/zinc/11/81/14/1426118114.db2.gz GYVITCMESDRJSJ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001725510119 1426196388 /nfs/dbraw/zinc/19/63/88/1426196388.db2.gz FKTOKJKINXFINT-QGZVFWFLSA-N 2 0 339.568 3.370 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001725510830 1426197943 /nfs/dbraw/zinc/19/79/43/1426197943.db2.gz KADJVHUUAIJDNT-MSOLQXFVSA-N 2 0 333.520 3.143 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001725511044 1426198945 /nfs/dbraw/zinc/19/89/45/1426198945.db2.gz XBNUVHDHPHWHSK-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001725519109 1426209776 /nfs/dbraw/zinc/20/97/76/1426209776.db2.gz AAKQGCSGALLYSK-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001725622654 1426288316 /nfs/dbraw/zinc/28/83/16/1426288316.db2.gz HVYUAEIKHNETNI-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2 ZINC001725622922 1426288839 /nfs/dbraw/zinc/28/88/39/1426288839.db2.gz IGDWRQOHCCAMBF-IEBWSBKVSA-N 2 0 349.544 3.093 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+]([C@H](C)c1ccccc1)CC2 ZINC001725627787 1426295312 /nfs/dbraw/zinc/29/53/12/1426295312.db2.gz KPCLGTTXRUZRLY-QFUCXCTJSA-N 2 0 343.515 3.203 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3=CCCCC3)[C@H]2C1 ZINC001725642130 1426320576 /nfs/dbraw/zinc/32/05/76/1426320576.db2.gz ZRSFLAMSSUZEEC-SLFFLAALSA-N 2 0 347.547 3.045 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001725643673 1426323566 /nfs/dbraw/zinc/32/35/66/1426323566.db2.gz XXWWOUWWKWYKAK-AZUAARDMSA-N 2 0 335.536 3.166 10 0 EGAERP C[C@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001725680814 1426368959 /nfs/dbraw/zinc/36/89/59/1426368959.db2.gz WPAMKSRPUNATCU-PKOBYXMFSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001725683834 1426371586 /nfs/dbraw/zinc/37/15/86/1426371586.db2.gz TUZGZMNLVKRBHT-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725737677 1426412360 /nfs/dbraw/zinc/41/23/60/1426412360.db2.gz DWMJVRAIVDXRGA-QZTJIDSGSA-N 2 0 339.568 3.416 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001725743495 1426420239 /nfs/dbraw/zinc/42/02/39/1426420239.db2.gz ZDMSTVUASCJWTK-RTBURBONSA-N 2 0 345.531 3.182 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001725748080 1426425976 /nfs/dbraw/zinc/42/59/76/1426425976.db2.gz VBGVFJBDRPOOAX-KRWDZBQOSA-N 2 0 337.552 3.170 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H](NC(=O)C[N@H+](C)C(C)C)C(C)(C)C)c1 ZINC001725759835 1426439480 /nfs/dbraw/zinc/43/94/80/1426439480.db2.gz XUDZRUIPLZMLBH-IBGZPJMESA-N 2 0 347.547 3.210 10 0 EGAERP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725772415 1426456528 /nfs/dbraw/zinc/45/65/28/1426456528.db2.gz XNHXVEMMWCXQEH-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001725788809 1426475134 /nfs/dbraw/zinc/47/51/34/1426475134.db2.gz AZVRAMCATRQRIN-CTWPCTMYSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)cs1 ZINC001731248024 1427201580 /nfs/dbraw/zinc/20/15/80/1427201580.db2.gz IPRYMYRZOKWFSY-ZWKOTPCHSA-N 2 0 349.544 3.012 10 0 EGAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731278466 1427223568 /nfs/dbraw/zinc/22/35/68/1427223568.db2.gz UZBRGVWLTOLLCT-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCC1=CCCCC1 ZINC001731284957 1427228596 /nfs/dbraw/zinc/22/85/96/1427228596.db2.gz QHLKXJVMMNDRJB-ROUUACIJSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731318047 1427259062 /nfs/dbraw/zinc/25/90/62/1427259062.db2.gz XJKZRQMGCVIDER-IRXDYDNUSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001731382357 1427320604 /nfs/dbraw/zinc/32/06/04/1427320604.db2.gz BXMGHKOBUGPNQM-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001731402188 1427363255 /nfs/dbraw/zinc/36/32/55/1427363255.db2.gz JTIWOKAUCYVAIN-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP O=C(NC[C@@H]([NH2+]CCC1CC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731403377 1427364873 /nfs/dbraw/zinc/36/48/73/1427364873.db2.gz VEKNVGWQSNXNQR-UXHICEINSA-N 2 0 347.547 3.068 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001731423702 1427403536 /nfs/dbraw/zinc/40/35/36/1427403536.db2.gz AGCXGILRRBWJLQ-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001731456298 1427431890 /nfs/dbraw/zinc/43/18/90/1427431890.db2.gz PBQKIWFPXCZKKB-TVFCKZIOSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001731456301 1427431909 /nfs/dbraw/zinc/43/19/09/1427431909.db2.gz PBQKIWFPXCZKKB-XSLAGTTESA-N 2 0 337.552 3.170 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001731486680 1427461379 /nfs/dbraw/zinc/46/13/79/1427461379.db2.gz UGFFDXJVCNRGHT-IYBDPMFKSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001731506586 1427493603 /nfs/dbraw/zinc/49/36/03/1427493603.db2.gz FMYQVVDBZIHVLS-IRXDYDNUSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001731528565 1427517918 /nfs/dbraw/zinc/51/79/18/1427517918.db2.gz BPDISVJXJWKNNO-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001731540512 1427546601 /nfs/dbraw/zinc/54/66/01/1427546601.db2.gz IJKLHGFIMKIUEF-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001731559726 1427592113 /nfs/dbraw/zinc/59/21/13/1427592113.db2.gz RGWSKXFFVBNMCR-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001731559728 1427592954 /nfs/dbraw/zinc/59/29/54/1427592954.db2.gz RGWSKXFFVBNMCR-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001731617391 1427664859 /nfs/dbraw/zinc/66/48/59/1427664859.db2.gz QGUULBNJADENIS-IAGOWNOFSA-N 2 0 325.541 3.029 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001731710948 1427768304 /nfs/dbraw/zinc/76/83/04/1427768304.db2.gz MHHGMHNRXUGVLR-GOSISDBHSA-N 2 0 339.568 3.467 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001731716899 1427781269 /nfs/dbraw/zinc/78/12/69/1427781269.db2.gz XGDDDEJHBRSHRD-RBUKOAKNSA-N 2 0 337.552 3.364 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC=C(C)C)CC[N@@H+]1C ZINC001731747009 1427839626 /nfs/dbraw/zinc/83/96/26/1427839626.db2.gz KQKDQAAXRPNZQM-CEXWTWQISA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](CCC(=O)NCC[N@@H+](C)CC1CC2(CCC2)C1)C1CCCCC1 ZINC001731778237 1427897659 /nfs/dbraw/zinc/89/76/59/1427897659.db2.gz CLVMYACZRAPQER-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCc1ccccc1C[N@H+](CC)CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001731816738 1428011946 /nfs/dbraw/zinc/01/19/46/1428011946.db2.gz QVYZSZQPJVKMPH-ROUUACIJSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731870671 1428125976 /nfs/dbraw/zinc/12/59/76/1428125976.db2.gz KYFIFEAFCHRWIA-IAGOWNOFSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001731987794 1428197646 /nfs/dbraw/zinc/19/76/46/1428197646.db2.gz MLZNYWPEELHYSN-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001733597589 1429796901 /nfs/dbraw/zinc/79/69/01/1429796901.db2.gz HCYAYEFFNIBUPP-GBESFXJTSA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001733606459 1429820569 /nfs/dbraw/zinc/82/05/69/1429820569.db2.gz IZTWRLFBMLHAGD-GBESFXJTSA-N 2 0 349.563 3.076 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]CC3=CCCCC3)C2)CC1 ZINC001733664349 1429857217 /nfs/dbraw/zinc/85/72/17/1429857217.db2.gz DPDDIFBVXQWHMP-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CN(CCC[N@H+](C)CCCC1CCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001733774411 1430015358 /nfs/dbraw/zinc/01/53/58/1430015358.db2.gz RDLFVHHLWFPTFC-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001733774551 1430015778 /nfs/dbraw/zinc/01/57/78/1430015778.db2.gz WJUUVEKTKCEVOK-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733806476 1430077559 /nfs/dbraw/zinc/07/75/59/1430077559.db2.gz OAUHGRYPIBWPKX-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001733809882 1430086116 /nfs/dbraw/zinc/08/61/16/1430086116.db2.gz ZLZJRGPGIRABST-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001733815269 1430096188 /nfs/dbraw/zinc/09/61/88/1430096188.db2.gz YZGBRBOIZGJQOH-KTBYTZPXSA-N 2 0 347.547 3.143 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CCC1CCCC1)CC2 ZINC001733911685 1437729915 /nfs/dbraw/zinc/72/99/15/1437729915.db2.gz VJTVMEXHWOHYDR-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001733977792 1437776641 /nfs/dbraw/zinc/77/66/41/1437776641.db2.gz IDFKASKGMIYQNL-GJZGRUSLSA-N 2 0 330.476 3.175 10 0 EGAERP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCCC1 ZINC001733992324 1437786886 /nfs/dbraw/zinc/78/68/86/1437786886.db2.gz IUYWMYZHRYZHMD-HOTGVXAUSA-N 2 0 331.504 3.035 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001734025385 1437813659 /nfs/dbraw/zinc/81/36/59/1437813659.db2.gz OKAPGJHEXGFSPU-CALCHBBNSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001734066625 1437861947 /nfs/dbraw/zinc/86/19/47/1437861947.db2.gz SYTLWTFWSKPEJM-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001734067134 1437862511 /nfs/dbraw/zinc/86/25/11/1437862511.db2.gz WOOBGCJBCHDCHR-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccccc2C)CCCCC1 ZINC001734091839 1437876089 /nfs/dbraw/zinc/87/60/89/1437876089.db2.gz PHRUTVVREJAAPO-UHFFFAOYSA-N 2 0 345.531 3.246 10 0 EGAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001734121341 1437901741 /nfs/dbraw/zinc/90/17/41/1437901741.db2.gz UEUZBVYVPVWKER-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001734131963 1437907856 /nfs/dbraw/zinc/90/78/56/1437907856.db2.gz YZTCIUBYNQJGPE-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734237141 1437953118 /nfs/dbraw/zinc/95/31/18/1437953118.db2.gz IODHKSSNSZJRQG-YQVWRLOYSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001734260966 1437977790 /nfs/dbraw/zinc/97/77/90/1437977790.db2.gz MCQAGJKGFQCIBN-ZWKOTPCHSA-N 2 0 343.515 3.026 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001734290313 1438020757 /nfs/dbraw/zinc/02/07/57/1438020757.db2.gz FJPDOMNODDLDEH-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1=CCCCC1 ZINC001734351555 1438069622 /nfs/dbraw/zinc/06/96/22/1438069622.db2.gz QXUBXAAEHFVQHB-QGZVFWFLSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001734462768 1438119633 /nfs/dbraw/zinc/11/96/33/1438119633.db2.gz UZMFYXTZXFAMOV-AEFFLSMTSA-N 2 0 337.552 3.265 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001734477807 1438126044 /nfs/dbraw/zinc/12/60/44/1438126044.db2.gz REPLJTGXGFOSHK-IRXDYDNUSA-N 2 0 342.487 3.321 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001734572345 1438166237 /nfs/dbraw/zinc/16/62/37/1438166237.db2.gz YNRPXSQOUIFATL-XOQOMHCNSA-N 2 0 337.552 3.194 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000367519354 283134167 /nfs/dbraw/zinc/13/41/67/283134167.db2.gz NVQDLRJTLVEQHX-UFYCRDLUSA-N 2 0 346.490 3.336 10 0 EGAERP O=C([C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000237973178 296068928 /nfs/dbraw/zinc/06/89/28/296068928.db2.gz CLEQIFGTVGCFEA-MUGJNUQGSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccc(OCc2nc(C[NH2+]CCCC[NH+](C)C)cs2)cc1 ZINC000264972687 247098773 /nfs/dbraw/zinc/09/87/73/247098773.db2.gz RLHGCRQWVYEKHU-UHFFFAOYSA-N 2 0 333.501 3.462 10 0 EGAERP c1cncc(C[NH+]2CCC([C@H]3CC[N@@H+](Cc4ccncc4)C3)CC2)c1 ZINC000012314152 211341797 /nfs/dbraw/zinc/34/17/97/211341797.db2.gz SPPDETZIPIOICJ-NRFANRHFSA-N 2 0 336.483 3.211 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000091739740 218056281 /nfs/dbraw/zinc/05/62/81/218056281.db2.gz UYQXTURJJIBELC-RDTXWAMCSA-N 2 0 331.435 3.343 10 0 EGAERP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268878489 252326785 /nfs/dbraw/zinc/32/67/85/252326785.db2.gz WZWKNYLINOADDZ-HMXCVIKNSA-N 2 0 329.532 3.219 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2C[NH+](C(C)C)C[C@H]2C)cc1)C(C)C ZINC000247378808 285098489 /nfs/dbraw/zinc/09/84/89/285098489.db2.gz PQVIUWVEUMIYMS-YLJYHZDGSA-N 2 0 345.531 3.375 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)c(F)c2)CC1 ZINC000179517896 533664550 /nfs/dbraw/zinc/66/45/50/533664550.db2.gz RFMNFZBEJKHHFZ-CYBMUJFWSA-N 2 0 328.859 3.004 10 0 EGAERP COCCN(CCOC)C1CC[NH+](Cc2c(C)cc(C)cc2C)CC1 ZINC000353025457 141287272 /nfs/dbraw/zinc/28/72/72/141287272.db2.gz RIDISTPVHOOKCI-UHFFFAOYSA-N 2 0 348.531 3.171 10 0 EGAERP C[N@H+](CCc1ccncc1)[C@@H]1CCC[NH+](CCc2ccncc2)CC1 ZINC000351709818 144294062 /nfs/dbraw/zinc/29/40/62/144294062.db2.gz KXAMUDGWCWISAC-OAQYLSRUSA-N 2 0 338.499 3.048 10 0 EGAERP COc1cc(CCC2CC[NH+](CC3CC[NH2+]CC3)CC2)cc(OC)c1 ZINC000261718126 286217089 /nfs/dbraw/zinc/21/70/89/286217089.db2.gz KXPAMENFWFKUPE-UHFFFAOYSA-N 2 0 346.515 3.348 10 0 EGAERP FC(F)CN1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000162918562 152792401 /nfs/dbraw/zinc/79/24/01/152792401.db2.gz YFSVVYJGIHSIQG-UHFFFAOYSA-N 2 0 337.458 3.102 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000174110587 152839251 /nfs/dbraw/zinc/83/92/51/152839251.db2.gz PCWGNUFJXIZQOD-FQEVSTJZSA-N 2 0 345.531 3.308 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCC1 ZINC000310275180 154142885 /nfs/dbraw/zinc/14/28/85/154142885.db2.gz UQBLLUJBOGLQTB-HSALFYBXSA-N 2 0 328.500 3.303 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)c1 ZINC000372766584 157378666 /nfs/dbraw/zinc/37/86/66/157378666.db2.gz LJZHKZAEFGCWAX-HLAWJBBLSA-N 2 0 346.515 3.312 10 0 EGAERP OCCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000248410801 163001642 /nfs/dbraw/zinc/00/16/42/163001642.db2.gz YIPJPIDFGNKIBG-NJDAHSKKSA-N 2 0 330.516 3.429 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000338533883 163263272 /nfs/dbraw/zinc/26/32/72/163263272.db2.gz BLNFNEJBNDEHCT-QZTJIDSGSA-N 2 0 343.515 3.275 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[NH+](CCC(C)(C)C)CC1 ZINC000346129099 164344380 /nfs/dbraw/zinc/34/43/80/164344380.db2.gz FYIVKEOEESLZIJ-UHFFFAOYSA-N 2 0 341.503 3.130 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)[C@@H]1Cc2ccccc2O1 ZINC000346178765 164357625 /nfs/dbraw/zinc/35/76/25/164357625.db2.gz SIVPEFFKSIMXEG-KKSFZXQISA-N 2 0 348.450 3.400 10 0 EGAERP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@@H]2C)cc1 ZINC000359524148 167178133 /nfs/dbraw/zinc/17/81/33/167178133.db2.gz VIDTXABUOZRCAH-JKSUJKDBSA-N 2 0 340.471 3.232 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2n1CCCC2 ZINC000367435778 168224749 /nfs/dbraw/zinc/22/47/49/168224749.db2.gz CZWBGQXLIIWZBO-FXAWDEMLSA-N 2 0 338.499 3.220 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000367596980 168246993 /nfs/dbraw/zinc/24/69/93/168246993.db2.gz KWTTZJGBLHTDJF-YQVWRLOYSA-N 2 0 326.488 3.197 10 0 EGAERP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367597283 168247403 /nfs/dbraw/zinc/24/74/03/168247403.db2.gz BJSYUAVMNPSXKH-BZUAXINKSA-N 2 0 340.414 3.259 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367618212 168250649 /nfs/dbraw/zinc/25/06/49/168250649.db2.gz SERRPVOVJPRXRT-XUVXKRRUSA-N 2 0 332.488 3.064 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C2)[nH+]1 ZINC000171651071 227195305 /nfs/dbraw/zinc/19/53/05/227195305.db2.gz CNCFDPACTANYQJ-ROUUACIJSA-N 2 0 346.519 3.158 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000278879767 275283856 /nfs/dbraw/zinc/28/38/56/275283856.db2.gz XUAUNGGIZIRXTO-MZADTFQBSA-N 3 0 325.500 3.034 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000287839902 276162132 /nfs/dbraw/zinc/16/21/32/276162132.db2.gz WDUHIXYOZGJGQH-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000367603061 279110929 /nfs/dbraw/zinc/11/09/29/279110929.db2.gz XYFWSZXLDIOZLU-GOSISDBHSA-N 2 0 342.487 3.298 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCc3cc(F)ccc32)(N2CCCCC2)CC1 ZINC000124614490 307549810 /nfs/dbraw/zinc/54/98/10/307549810.db2.gz MOFRKIWIWAJJFG-FQEVSTJZSA-N 2 0 345.506 3.353 10 0 EGAERP Cc1cc(C[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)ccc1C(F)(F)F ZINC000414354332 309074717 /nfs/dbraw/zinc/07/47/17/309074717.db2.gz XHAYMAQKUKXDGO-MRXNPFEDSA-N 2 0 344.421 3.340 10 0 EGAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC000414697315 309095894 /nfs/dbraw/zinc/09/58/94/309095894.db2.gz GUMRXAZLTZPBRU-LJQANCHMSA-N 2 0 343.515 3.019 10 0 EGAERP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]1CC[NH2+][C@H](C)C1 ZINC000414762987 309099198 /nfs/dbraw/zinc/09/91/98/309099198.db2.gz WVXTXFTWSWODQM-SLYNCCJLSA-N 2 0 344.499 3.015 10 0 EGAERP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000414762988 309099311 /nfs/dbraw/zinc/09/93/11/309099311.db2.gz WVXTXFTWSWODQM-YFVAEKQCSA-N 2 0 344.499 3.015 10 0 EGAERP c1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000414826336 309103918 /nfs/dbraw/zinc/10/39/18/309103918.db2.gz FMXDRKXFJMYMEN-KRWDZBQOSA-N 2 0 347.466 3.024 10 0 EGAERP CSc1cc(Br)ccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414826290 309103987 /nfs/dbraw/zinc/10/39/87/309103987.db2.gz FJFSIQPVKXYXLP-LLVKDONJSA-N 2 0 329.307 3.260 10 0 EGAERP [NH3+]CCCN(c1ccccc1F)C1CC[NH+](CCC(F)(F)F)CC1 ZINC000346362999 308882430 /nfs/dbraw/zinc/88/24/30/308882430.db2.gz MTHMDAGMWGGQQY-UHFFFAOYSA-N 2 0 347.400 3.398 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414948471 309110793 /nfs/dbraw/zinc/11/07/93/309110793.db2.gz YLQBMRVHARSGNX-UZLBHIALSA-N 2 0 347.466 3.022 10 0 EGAERP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415032857 309115486 /nfs/dbraw/zinc/11/54/86/309115486.db2.gz BCIZJJQSQZWJPV-MSOLQXFVSA-N 2 0 332.488 3.448 10 0 EGAERP CC(C)[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415048188 309116432 /nfs/dbraw/zinc/11/64/32/309116432.db2.gz FVKYJPMPJJKNDY-XVAXZDLZSA-N 2 0 329.532 3.232 10 0 EGAERP FC(F)(F)c1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415048949 309116501 /nfs/dbraw/zinc/11/65/01/309116501.db2.gz GTYKXAFBGRWWGN-UHFFFAOYSA-N 2 0 341.421 3.011 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCCC[C@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415057077 309117158 /nfs/dbraw/zinc/11/71/58/309117158.db2.gz TVJBWXVGAXHEQX-WDYCEAGBSA-N 2 0 334.479 3.477 10 0 EGAERP COC(=O)c1ccc(Cl)c(CN2CCCC[C@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415059456 309117490 /nfs/dbraw/zinc/11/74/90/309117490.db2.gz WXEDHEWDOXWGTB-YOEHRIQHSA-N 2 0 336.863 3.091 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415085355 309119291 /nfs/dbraw/zinc/11/92/91/309119291.db2.gz PZEKCNQIMFDSCK-MJSCVDMRSA-N 2 0 335.442 3.054 10 0 EGAERP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119528 309121544 /nfs/dbraw/zinc/12/15/44/309121544.db2.gz FPKJAJBNVCECCZ-PZJWPPBQSA-N 2 0 344.499 3.194 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccco1 ZINC000415898626 309146731 /nfs/dbraw/zinc/14/67/31/309146731.db2.gz HYNZLMYSXNNMLS-QGZVFWFLSA-N 2 0 344.459 3.204 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000415940698 309150200 /nfs/dbraw/zinc/15/02/00/309150200.db2.gz FMGFMGFAKLFAAE-HOTGVXAUSA-N 2 0 332.492 3.038 10 0 EGAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416022378 309154989 /nfs/dbraw/zinc/15/49/89/309154989.db2.gz YYLKUPPDSHMDBC-GUYCJALGSA-N 2 0 342.443 3.134 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000417209892 309197511 /nfs/dbraw/zinc/19/75/11/309197511.db2.gz CVUWWCWUNYLXTA-GQIGUUNPSA-N 2 0 346.519 3.016 10 0 EGAERP CCn1nncc1C[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000417881687 309226698 /nfs/dbraw/zinc/22/66/98/309226698.db2.gz VBVUYUMFFCNGKO-CALCHBBNSA-N 2 0 341.503 3.066 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC2(O)CCC2)CC1 ZINC000421380337 309321719 /nfs/dbraw/zinc/32/17/19/309321719.db2.gz VIXHMSVNZWWTHD-UHFFFAOYSA-N 2 0 345.531 3.003 10 0 EGAERP Cc1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750895 309366430 /nfs/dbraw/zinc/36/64/30/309366430.db2.gz DVJUNEQZIZXOMT-FPOVZHCZSA-N 2 0 338.451 3.219 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422752642 309366710 /nfs/dbraw/zinc/36/67/10/309366710.db2.gz CUHJSRNICNRPIR-NASSWSRMSA-N 2 0 343.515 3.174 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422776879 309367715 /nfs/dbraw/zinc/36/77/15/309367715.db2.gz FBVLOZMJCBMUDO-NCYKPQTJSA-N 2 0 329.532 3.498 10 0 EGAERP Fc1ccc(F)c(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816759 309369919 /nfs/dbraw/zinc/36/99/19/309369919.db2.gz BGXIZARGJZDUCN-ICSRJNTNSA-N 2 0 344.405 3.353 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422882031 309373910 /nfs/dbraw/zinc/37/39/10/309373910.db2.gz OVJUSDYCPLGGFH-OAHLLOKOSA-N 2 0 343.309 3.070 10 0 EGAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000422893886 309374709 /nfs/dbraw/zinc/37/47/09/309374709.db2.gz BEZWHGYCCNJAQZ-HKUYNNGSSA-N 3 0 333.520 3.027 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903968 309375484 /nfs/dbraw/zinc/37/54/84/309375484.db2.gz GEJDFMRAQUBXNA-DOXZYTNZSA-N 2 0 337.458 3.036 10 0 EGAERP COc1ccc([C@H](NC[C@H](C(C)C)[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422962172 309378450 /nfs/dbraw/zinc/37/84/50/309378450.db2.gz FDVAQYDIVBKSDV-NJYVYQBISA-N 2 0 345.531 3.198 10 0 EGAERP COc1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422985121 309379472 /nfs/dbraw/zinc/37/94/72/309379472.db2.gz CEVAAQOCLINHGG-XUVXKRRUSA-N 2 0 332.488 3.112 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995719 309380067 /nfs/dbraw/zinc/38/00/67/309380067.db2.gz YWAUFWGZMQFTCO-USXIJHARSA-N 2 0 344.421 3.106 10 0 EGAERP CCC1(C[NH2+][C@@H](C)[C@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000423002125 309380321 /nfs/dbraw/zinc/38/03/21/309380321.db2.gz IWAAJGDVFRMFBA-AZUAARDMSA-N 3 0 329.532 3.409 10 0 EGAERP CCN1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423017860 309381111 /nfs/dbraw/zinc/38/11/11/309381111.db2.gz PREJNIUATMEJDH-LZDSYCOUSA-N 2 0 327.875 3.330 10 0 EGAERP CCN1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423033879 309382245 /nfs/dbraw/zinc/38/22/45/309382245.db2.gz OZQFUFDXDDVYDD-PUECVXPYSA-N 2 0 343.437 3.346 10 0 EGAERP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423043652 309382531 /nfs/dbraw/zinc/38/25/31/309382531.db2.gz PLWKRCPYMBTYIX-DTJCXFNLSA-N 2 0 349.469 3.361 10 0 EGAERP Clc1cccc2c1CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423053921 309383396 /nfs/dbraw/zinc/38/33/96/309383396.db2.gz BGMPALPFKUSCRY-RLLQIKCJSA-N 2 0 347.934 3.208 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069313 309384337 /nfs/dbraw/zinc/38/43/37/309384337.db2.gz DQQULAQYQQQHRU-PVAVHDDUSA-N 2 0 340.458 3.016 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092646 309385585 /nfs/dbraw/zinc/38/55/85/309385585.db2.gz CUOIFNHAOLKJIN-FVQBIDKESA-N 2 0 330.394 3.295 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423098701 309385973 /nfs/dbraw/zinc/38/59/73/309385973.db2.gz DIWKTZSYFISEAH-HNNXBMFYSA-N 2 0 343.471 3.115 10 0 EGAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423109562 309386498 /nfs/dbraw/zinc/38/64/98/309386498.db2.gz HRSHFIIIDIVXDU-XIKOKIGWSA-N 2 0 329.419 3.335 10 0 EGAERP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CCC[NH3+])nc1 ZINC000423196433 309390086 /nfs/dbraw/zinc/39/00/86/309390086.db2.gz VIGOBGJQFGPBOF-LJQANCHMSA-N 2 0 331.891 3.390 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CC1=CC[NH2+]CC1 ZINC000423358120 309396796 /nfs/dbraw/zinc/39/67/96/309396796.db2.gz TVBOQOMSUQNPRR-AWEZNQCLSA-N 2 0 325.225 3.085 10 0 EGAERP COCC1(C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC[NH2+]CC1 ZINC000423408015 309398926 /nfs/dbraw/zinc/39/89/26/309398926.db2.gz NVFGMWHBAIIEIE-GOSISDBHSA-N 2 0 332.488 3.123 10 0 EGAERP COc1ccc2c(c1)[C@@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CC2 ZINC000423526538 309404981 /nfs/dbraw/zinc/40/49/81/309404981.db2.gz LNQCQEMNYQLNNC-PWWGJNJJSA-N 2 0 326.484 3.426 10 0 EGAERP CC1(C)CCC[NH2+][C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000423779870 309412326 /nfs/dbraw/zinc/41/23/26/309412326.db2.gz VXNKNLLQOSFYGN-SFHVURJKSA-N 2 0 329.488 3.042 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000440340587 309848468 /nfs/dbraw/zinc/84/84/68/309848468.db2.gz OFYKXACYSWNUHF-UHFFFAOYSA-N 2 0 330.501 3.417 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)[C@H](C)C1 ZINC000449026551 310030652 /nfs/dbraw/zinc/03/06/52/310030652.db2.gz GGZKPWYYDYTROL-BEFAXECRSA-N 2 0 344.478 3.388 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[NH+]2CCC(C)CC2)CC1 ZINC000449081891 310035552 /nfs/dbraw/zinc/03/55/52/310035552.db2.gz IVURDBRQUNAVBC-HXUWFJFHSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000449131017 310039204 /nfs/dbraw/zinc/03/92/04/310039204.db2.gz JOKOKXQFUKRNPU-POAQFYNOSA-N 2 0 349.950 3.449 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)C2CCOCC2)CC1 ZINC000449158296 310041085 /nfs/dbraw/zinc/04/10/85/310041085.db2.gz YHESVBYVKFWMLH-SFHVURJKSA-N 2 0 340.552 3.043 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449199156 310044057 /nfs/dbraw/zinc/04/40/57/310044057.db2.gz FENRRZXHMNUKRM-UHFFFAOYSA-N 2 0 332.488 3.448 10 0 EGAERP CNC(=O)[C@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212065 310044889 /nfs/dbraw/zinc/04/48/89/310044889.db2.gz IJAFNSPWSIYDFJ-DLBZAZTESA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)C(=O)NCCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449214645 310045169 /nfs/dbraw/zinc/04/51/69/310045169.db2.gz LWCPTJHRARVNQS-UHFFFAOYSA-N 2 0 339.568 3.418 10 0 EGAERP CCOC(=O)[C@H](C)[C@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449242195 310047081 /nfs/dbraw/zinc/04/70/81/310047081.db2.gz WMSOTGZUUCACOC-KSZLIROESA-N 2 0 346.515 3.259 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC(F)F)CC1 ZINC000449306229 310052066 /nfs/dbraw/zinc/05/20/66/310052066.db2.gz KIFLFZDYYHCAIH-OAHLLOKOSA-N 2 0 326.431 3.301 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@@H](O)C(F)F ZINC000449419700 310060305 /nfs/dbraw/zinc/06/03/05/310060305.db2.gz CGQSMECQXQVRIB-FHLIZLRMSA-N 2 0 340.458 3.076 10 0 EGAERP FC1(F)CCCC[C@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000450451066 310123405 /nfs/dbraw/zinc/12/34/05/310123405.db2.gz IMSWLJBAONIYBX-INIZCTEOSA-N 2 0 330.463 3.389 10 0 EGAERP COC1([C@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCOCC1 ZINC000453094152 310257303 /nfs/dbraw/zinc/25/73/03/310257303.db2.gz RXZQJAKNJGSNBT-KRWDZBQOSA-N 2 0 334.504 3.201 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(CC(=O)NC2CCCCC2)C1 ZINC000506473264 312049694 /nfs/dbraw/zinc/04/96/94/312049694.db2.gz XBYLSIFIPWYOEW-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP COCC1(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000516181509 312313394 /nfs/dbraw/zinc/31/33/94/312313394.db2.gz JUEWYTSZWLRYMI-SFHVURJKSA-N 2 0 330.516 3.488 10 0 EGAERP CC(C)Oc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530242465 313504279 /nfs/dbraw/zinc/50/42/79/313504279.db2.gz STXOOZMMYQVCQG-FQEVSTJZSA-N 2 0 332.488 3.064 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064488 314022391 /nfs/dbraw/zinc/02/23/91/314022391.db2.gz VINNNWPTFJGDJN-ZIAGYGMSSA-N 2 0 327.875 3.156 10 0 EGAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(Cl)c(F)c1 ZINC000535777548 314073064 /nfs/dbraw/zinc/07/30/64/314073064.db2.gz JOKWKYXSPVIIPY-UKRRQHHQSA-N 2 0 328.859 3.367 10 0 EGAERP CCC1(C[NH2+][C@@H]2CN(C)C[C@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940174 314218218 /nfs/dbraw/zinc/21/82/18/314218218.db2.gz XXBYUPDOCLRXKD-UYAOXDASSA-N 2 0 329.532 3.219 10 0 EGAERP Cc1cc([C@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C2CC2)ccc1F ZINC000539199815 314300894 /nfs/dbraw/zinc/30/08/94/314300894.db2.gz LZSFREULEOQXHJ-HXUWFJFHSA-N 2 0 333.495 3.202 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@H+](C)[C@@H](C)C3)c2)C[C@@H](C)O1 ZINC000539687460 314328883 /nfs/dbraw/zinc/32/88/83/314328883.db2.gz DDZVDRKWSHQMAJ-TVKQPGBESA-N 2 0 331.504 3.190 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000544180172 314679262 /nfs/dbraw/zinc/67/92/62/314679262.db2.gz AYFDIZRXMPHFKV-FUHWJXTLSA-N 2 0 328.460 3.259 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551738492 315166160 /nfs/dbraw/zinc/16/61/60/315166160.db2.gz JMDSZPHWXOEOPD-MRXNPFEDSA-N 2 0 337.458 3.351 10 0 EGAERP c1ccc2c(c1)O[C@@H](C[NH2+]C1CCN(c3cc[nH+]cc3)CC1)CS2 ZINC000563157344 315966028 /nfs/dbraw/zinc/96/60/28/315966028.db2.gz BDRZYCDKIUBYAC-KRWDZBQOSA-N 2 0 341.480 3.193 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000563881919 316084469 /nfs/dbraw/zinc/08/44/69/316084469.db2.gz SPKJYSJUHCELHN-JHJOLFGTSA-N 2 0 340.511 3.453 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCSC2)CC1 ZINC000564115617 316115147 /nfs/dbraw/zinc/11/51/47/316115147.db2.gz ODVAOKRNEMAEGQ-GOSISDBHSA-N 2 0 347.572 3.451 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+]C3CCCC3)C3(C2)CCOCC3)cc1 ZINC000565763613 316366565 /nfs/dbraw/zinc/36/65/65/316366565.db2.gz GTWKAQQFMPAVDC-LJQANCHMSA-N 2 0 328.500 3.447 10 0 EGAERP C[C@H](O)[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1F ZINC000565896723 316385450 /nfs/dbraw/zinc/38/54/50/316385450.db2.gz UDBIFJKGISVWJP-BLLLJJGKSA-N 2 0 348.384 3.254 10 0 EGAERP COC[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000570134532 317011531 /nfs/dbraw/zinc/01/15/31/317011531.db2.gz FXGDZWRTFXXUED-WOJBJXKFSA-N 2 0 340.552 3.264 10 0 EGAERP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000570973803 317134359 /nfs/dbraw/zinc/13/43/59/317134359.db2.gz SYCYCXGTVOAJGB-BBTUJRGHSA-N 2 0 332.532 3.469 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C2)[nH+]1 ZINC000171649125 323244753 /nfs/dbraw/zinc/24/47/53/323244753.db2.gz NEKJUGVVMAMXRP-ROUUACIJSA-N 2 0 346.519 3.017 10 0 EGAERP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000174581948 323307924 /nfs/dbraw/zinc/30/79/24/323307924.db2.gz NOYQHGJZCBCHDQ-MJGOQNOKSA-N 2 0 345.531 3.443 10 0 EGAERP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382756387 324254038 /nfs/dbraw/zinc/25/40/38/324254038.db2.gz OXFCJQXEVUFLGS-NRFANRHFSA-N 3 0 349.522 3.286 10 0 EGAERP [NH3+]CCc1ccccc1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000392608660 324289451 /nfs/dbraw/zinc/28/94/51/324289451.db2.gz IFCOUFOSHKYIIB-UHFFFAOYSA-N 2 0 343.515 3.106 10 0 EGAERP OC1(C[NH2+]Cc2ccc(F)cc2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397586149 324295021 /nfs/dbraw/zinc/29/50/21/324295021.db2.gz JDGXAOIHBGFVNZ-UHFFFAOYSA-N 2 0 346.421 3.082 10 0 EGAERP CC(C)C[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000576984170 324720035 /nfs/dbraw/zinc/72/00/35/324720035.db2.gz NHGGFAXPUCRCGD-KRWDZBQOSA-N 2 0 349.544 3.168 10 0 EGAERP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887996 460589152 /nfs/dbraw/zinc/58/91/52/460589152.db2.gz SHMDEMAWFZRKCX-HOCLYGCPSA-N 2 0 328.378 3.202 10 0 EGAERP CCOC(=O)CC[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000612397835 460618676 /nfs/dbraw/zinc/61/86/76/460618676.db2.gz WTIKFXLKCDCOFP-HNNXBMFYSA-N 2 0 347.484 3.489 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CCCc2ccc(Cl)cc2)CC1 ZINC000077283734 454085544 /nfs/dbraw/zinc/08/55/44/454085544.db2.gz ZSULEUWOJZZUDK-FQEVSTJZSA-N 2 0 349.950 3.375 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000121781576 454476329 /nfs/dbraw/zinc/47/63/29/454476329.db2.gz SHELOJNBNGHUEN-HNNXBMFYSA-N 2 0 347.503 3.426 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000122999310 454591078 /nfs/dbraw/zinc/59/10/78/454591078.db2.gz DPJXYYZKSTUFKY-HNNXBMFYSA-N 2 0 329.488 3.355 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000106126380 454681027 /nfs/dbraw/zinc/68/10/27/454681027.db2.gz SPDDODVEYKICHU-ZDUSSCGKSA-N 2 0 328.859 3.004 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc2c(s1)CCC2 ZINC000124453961 454735565 /nfs/dbraw/zinc/73/55/65/454735565.db2.gz ZPFMUZXIJNKAOO-HNNXBMFYSA-N 2 0 335.561 3.161 10 0 EGAERP Fc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000127395719 454960912 /nfs/dbraw/zinc/96/09/12/454960912.db2.gz LJLJMJVBKQZDBN-GFCCVEGCSA-N 2 0 327.241 3.162 10 0 EGAERP CCC[C@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180044870 455122050 /nfs/dbraw/zinc/12/20/50/455122050.db2.gz HUKJSFXKSUVCTE-KRWDZBQOSA-N 2 0 331.504 3.038 10 0 EGAERP OC[C@H]1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000180160675 455141928 /nfs/dbraw/zinc/14/19/28/455141928.db2.gz DHONIHFWKCCXJL-YTDWZJOKSA-N 2 0 328.500 3.323 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000237683719 455207295 /nfs/dbraw/zinc/20/72/95/455207295.db2.gz XFQGHHPBVRKAOE-DEPCRRQNSA-N 2 0 347.547 3.020 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000247017899 455544419 /nfs/dbraw/zinc/54/44/19/455544419.db2.gz LPNUJNBHVFWLJM-ZBFHGGJFSA-N 2 0 333.476 3.036 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)ccn1 ZINC000271647925 455711600 /nfs/dbraw/zinc/71/16/00/455711600.db2.gz FOXRMOCUQDCACO-FQEVSTJZSA-N 2 0 343.446 3.402 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)C[C@H]1CCC=CO1 ZINC000248878565 455736530 /nfs/dbraw/zinc/73/65/30/455736530.db2.gz KDFQHRKCGUBECY-NHCUHLMSSA-N 2 0 344.499 3.057 10 0 EGAERP Cc1ccc(C[C@H](C)[N@H+](C)C[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000606540295 460692422 /nfs/dbraw/zinc/69/24/22/460692422.db2.gz GGFPECGJFJTTQV-SIKLNZKXSA-N 2 0 340.511 3.351 10 0 EGAERP [NH3+]C[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)C[C@H]1c1ccccc1 ZINC000261635817 455918440 /nfs/dbraw/zinc/91/84/40/455918440.db2.gz DHIPWUZKKILPAF-APWZRJJASA-N 3 0 338.480 3.108 10 0 EGAERP Cc1ccc([C@H](O)C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000272409281 455941441 /nfs/dbraw/zinc/94/14/41/455941441.db2.gz KVQWULSOQVZSKC-YSTOQKLRSA-N 2 0 340.467 3.407 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000280743319 456043716 /nfs/dbraw/zinc/04/37/16/456043716.db2.gz ORZILDYBBADBJA-CXAGYDPISA-N 2 0 329.419 3.303 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000280990242 456103723 /nfs/dbraw/zinc/10/37/23/456103723.db2.gz UZFAIEHEKLUPFY-UHFFFAOYSA-N 2 0 347.894 3.132 10 0 EGAERP Cc1cccc2c(N3CCC[N@@H+](C4CCOCC4)CC3)cc[nH+]c12 ZINC000301687011 456186417 /nfs/dbraw/zinc/18/64/17/456186417.db2.gz UWHQERCGOPCCEQ-UHFFFAOYSA-N 2 0 325.456 3.234 10 0 EGAERP COc1cc[nH+]c(N2CCN(c3cc[nH+]c4ccc(C)cc43)CC2)c1 ZINC000302160881 456303486 /nfs/dbraw/zinc/30/34/86/456303486.db2.gz PEIXHYVAYUOSDE-UHFFFAOYSA-N 2 0 334.423 3.273 10 0 EGAERP CC(CC[NH+]1CC[C@@H](C)O[C@@H](C)C1)CC[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661853743 462438923 /nfs/dbraw/zinc/43/89/23/462438923.db2.gz WQSCAGFOHPXEQJ-ZRNYENFQSA-N 2 0 340.552 3.401 10 0 EGAERP c1ccc(C[N@H+]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)CC2)cc1 ZINC000324032113 456660668 /nfs/dbraw/zinc/66/06/68/456660668.db2.gz PYHATSNRKXWLSQ-UHFFFAOYSA-N 2 0 335.495 3.040 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC000341066927 456812246 /nfs/dbraw/zinc/81/22/46/456812246.db2.gz KUEHOFFVNARGBZ-NSHGMRRFSA-N 2 0 343.515 3.030 10 0 EGAERP COc1cccc([C@@H]2[C@H](NCC[C@H]3CCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000338634250 456847260 /nfs/dbraw/zinc/84/72/60/456847260.db2.gz UZVWZGVPPVQVFG-DUXKGJEZSA-N 2 0 343.515 3.047 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)CC[C@H]2CCCC[NH+]2C)CC1 ZINC000353789813 456907350 /nfs/dbraw/zinc/90/73/50/456907350.db2.gz UKXGHGBCGGVVGM-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(C)c3)cn2)CC1 ZINC000341902784 456993416 /nfs/dbraw/zinc/99/34/16/456993416.db2.gz VPNJNPHWCJCAER-GOSISDBHSA-N 2 0 338.499 3.383 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(C)c3)cn2)CC1 ZINC000341902786 456993655 /nfs/dbraw/zinc/99/36/55/456993655.db2.gz VPNJNPHWCJCAER-SFHVURJKSA-N 2 0 338.499 3.383 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000354177036 457111731 /nfs/dbraw/zinc/11/17/31/457111731.db2.gz GAUWIUIIDBIQSR-FJXZYEQHSA-N 2 0 339.527 3.254 10 0 EGAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@H]([NH3+])c1ccccc1 ZINC000381178347 457420704 /nfs/dbraw/zinc/42/07/04/457420704.db2.gz IBGKXCFKERDYKG-PXNSSMCTSA-N 2 0 339.483 3.103 10 0 EGAERP C[N@@H+](Cc1cccc2c1CC[NH2+]C2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382760915 457422386 /nfs/dbraw/zinc/42/23/86/457422386.db2.gz XABPPBKWDCUALS-HXUWFJFHSA-N 3 0 349.522 3.286 10 0 EGAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000361011625 457510911 /nfs/dbraw/zinc/51/09/11/457510911.db2.gz FUMWHKJKDPNPPN-UKRRQHHQSA-N 2 0 346.393 3.347 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ncccc1F ZINC000358343411 457946702 /nfs/dbraw/zinc/94/67/02/457946702.db2.gz HSFIEYLHZVQYGB-APWZRJJASA-N 2 0 343.446 3.100 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427616759 458008268 /nfs/dbraw/zinc/00/82/68/458008268.db2.gz ZMTQVNWWEDRLAT-DOMZBBRYSA-N 2 0 327.394 3.409 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[S@@](C)=O ZINC000358566105 458080542 /nfs/dbraw/zinc/08/05/42/458080542.db2.gz IFWANRRZSDSPMY-BERDZHIHSA-N 2 0 348.556 3.034 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000447598123 458319185 /nfs/dbraw/zinc/31/91/85/458319185.db2.gz UMDGEIUPMXFJHM-LJQANCHMSA-N 2 0 347.890 3.187 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459385369 458354382 /nfs/dbraw/zinc/35/43/82/458354382.db2.gz HELDBTVUEDBFCG-JCHJZTRSSA-N 2 0 334.529 3.256 10 0 EGAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCOc3ccc(Br)cc32)C1 ZINC000423492339 458442784 /nfs/dbraw/zinc/44/27/84/458442784.db2.gz MQQKDDJYGBUNNP-KYOSRNDESA-N 2 0 339.277 3.380 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC(F)(F)CC1 ZINC000423505978 458445712 /nfs/dbraw/zinc/44/57/12/458445712.db2.gz IFMIFTXUHMPWJJ-OOHWJJMZSA-N 2 0 329.479 3.006 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460303613 458509539 /nfs/dbraw/zinc/50/95/39/458509539.db2.gz YMVAONBZDMJXHM-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1cc2ncc([C@H](C)NC3CC([NH+]4CCCCC4)C3)c(C)n2n1 ZINC000373524902 458517660 /nfs/dbraw/zinc/51/76/60/458517660.db2.gz VVUAKYFVAOWYSM-OOHWJJMZSA-N 2 0 327.476 3.014 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000431572599 458590453 /nfs/dbraw/zinc/59/04/53/458590453.db2.gz XECZKFMBRLBSQH-IRXDYDNUSA-N 2 0 349.544 3.266 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431754567 458617727 /nfs/dbraw/zinc/61/77/27/458617727.db2.gz NMGHFDXNFHAKTE-OTWHNJEPSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@H+]2C)[NH+]2CCCC2)o1 ZINC000431780461 458622123 /nfs/dbraw/zinc/62/21/23/458622123.db2.gz YUHPZGYEHXYVPM-QZTJIDSGSA-N 2 0 347.503 3.106 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000431784408 458624230 /nfs/dbraw/zinc/62/42/30/458624230.db2.gz LOGYTEWDSRMWOU-IRXDYDNUSA-N 2 0 335.492 3.043 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000470774234 458649688 /nfs/dbraw/zinc/64/96/88/458649688.db2.gz RPGQSYFIIOSIHE-WTOYTKOKSA-N 2 0 340.511 3.405 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)c1 ZINC000462791714 458655767 /nfs/dbraw/zinc/65/57/67/458655767.db2.gz LYXHISJITRNEOY-HSALFYBXSA-N 2 0 346.515 3.312 10 0 EGAERP C[C@@H](Cc1ccc(Br)c(F)c1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000530176909 458707718 /nfs/dbraw/zinc/70/77/18/458707718.db2.gz DZCOTDLIENAYAS-XHDPSFHLSA-N 2 0 341.268 3.393 10 0 EGAERP CC1(C)CC(C[NH+]2CCC(c3cc(C4CC[NH2+]CC4)[nH]n3)CC2)C1 ZINC000530220686 458721238 /nfs/dbraw/zinc/72/12/38/458721238.db2.gz CAKNSYOGEOQFFN-UHFFFAOYSA-N 2 0 330.520 3.492 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494888362 458761389 /nfs/dbraw/zinc/76/13/89/458761389.db2.gz YLEFXPVCUZOKSF-LPHOPBHVSA-N 2 0 343.515 3.065 10 0 EGAERP COc1ccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)cc1 ZINC000520582168 459075074 /nfs/dbraw/zinc/07/50/74/459075074.db2.gz RMAXZVGKYFBZRG-IYBDPMFKSA-N 2 0 343.496 3.250 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944431 459187858 /nfs/dbraw/zinc/18/78/58/459187858.db2.gz PXCZUXGRSJKYFO-IJXRJRJASA-N 2 0 344.499 3.076 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](CCOCCOc2ccccc2)CC1 ZINC000590786161 459219203 /nfs/dbraw/zinc/21/92/03/459219203.db2.gz DMZMKONSBXAIEI-UHFFFAOYSA-N 2 0 334.504 3.134 10 0 EGAERP CCc1cccc(C[NH2+]Cc2ccc(N3CC[NH+](CC)CC3)nc2)c1 ZINC000582364627 459353443 /nfs/dbraw/zinc/35/34/43/459353443.db2.gz MXYZHOLZHZYHMX-UHFFFAOYSA-N 2 0 338.499 3.076 10 0 EGAERP CC(C)CCN(CCC(C)C)C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000484925717 459435926 /nfs/dbraw/zinc/43/59/26/459435926.db2.gz OQRQNOCGTAZTKT-RBUKOAKNSA-N 2 0 339.568 3.322 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000541534937 459464664 /nfs/dbraw/zinc/46/46/64/459464664.db2.gz HFYWXXVCROCHMJ-UHFFFAOYSA-N 2 0 332.517 3.486 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3cccc(F)c3)CCC2)CC[NH2+]CC1 ZINC000592470815 459609162 /nfs/dbraw/zinc/60/91/62/459609162.db2.gz JPXKBKTUKWRYOX-OAHLLOKOSA-N 2 0 348.462 3.116 10 0 EGAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527859219 459761184 /nfs/dbraw/zinc/76/11/84/459761184.db2.gz NYHBTJMBLSIQDE-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000527988511 459788825 /nfs/dbraw/zinc/78/88/25/459788825.db2.gz SWRXNONBILVABL-LPHOPBHVSA-N 2 0 331.504 3.265 10 0 EGAERP O=C(CN1CCC(c2c[nH]cn2)CC1)c1c[nH]c2ccc(F)cc12 ZINC000625259884 460094150 /nfs/dbraw/zinc/09/41/50/460094150.db2.gz JPBVWUOOTDGGTO-UHFFFAOYSA-N 2 0 326.375 3.092 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCN2C2CCCCC2)C[C@@H]1C ZINC000599065855 460148725 /nfs/dbraw/zinc/14/87/25/460148725.db2.gz RZNIAFLBTNRTTB-PBWTXFEYSA-N 2 0 336.520 3.351 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000600180996 460423707 /nfs/dbraw/zinc/42/37/07/460423707.db2.gz PBGSEFDJDVQZDC-MSOLQXFVSA-N 2 0 344.499 3.356 10 0 EGAERP COc1sc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000634732588 460497998 /nfs/dbraw/zinc/49/79/98/460497998.db2.gz JSAXOFHOTXHUKT-JTQLQIEISA-N 2 0 347.322 3.387 10 0 EGAERP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000634732960 460498252 /nfs/dbraw/zinc/49/82/52/460498252.db2.gz SLBRSBTXAUDBLG-PKOBYXMFSA-N 2 0 332.488 3.112 10 0 EGAERP CCCCNC(=O)c1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623357615 460507105 /nfs/dbraw/zinc/50/71/05/460507105.db2.gz YEQXSBRQWGPENW-SFHVURJKSA-N 2 0 331.504 3.179 10 0 EGAERP COc1ccc(C[NH2+]C[C@H](C)C[NH+]2CCCCC2)cc1OC1CC1 ZINC000623363885 460511229 /nfs/dbraw/zinc/51/12/29/460511229.db2.gz KEZGLHJDSMFMQH-INIZCTEOSA-N 2 0 332.488 3.448 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)[C@@H](C)C1 ZINC000631698885 460521504 /nfs/dbraw/zinc/52/15/04/460521504.db2.gz DYPAKVFXIWDGBX-PXALQNAGSA-N 2 0 349.316 3.407 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000629404477 460747910 /nfs/dbraw/zinc/74/79/10/460747910.db2.gz OFQIDNCFPMCMIP-CVEARBPZSA-N 2 0 330.394 3.167 10 0 EGAERP C[N@@H+]1CC[C@@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)CC1(C)C ZINC000623947945 460791926 /nfs/dbraw/zinc/79/19/26/460791926.db2.gz XDFBMCZLQHWWIA-LJQANCHMSA-N 2 0 345.531 3.176 10 0 EGAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520484 460792647 /nfs/dbraw/zinc/79/26/47/460792647.db2.gz WICMCPXDHSJVIX-TWOQFEAHSA-N 2 0 337.467 3.099 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000629529081 460797027 /nfs/dbraw/zinc/79/70/27/460797027.db2.gz RCZKEOBZQJWUAU-MRXNPFEDSA-N 2 0 328.456 3.249 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629536935 460799733 /nfs/dbraw/zinc/79/97/33/460799733.db2.gz HYMCXVXQMSXORE-HNNXBMFYSA-N 2 0 331.485 3.143 10 0 EGAERP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2cc1Cl ZINC000629545372 460803181 /nfs/dbraw/zinc/80/31/81/460803181.db2.gz KGEOQFWMQMCENG-MRVWCRGKSA-N 2 0 335.854 3.481 10 0 EGAERP C(c1nc(C2CCCCC2)no1)C1CC[NH+](C[C@H]2CCC[NH2+]C2)CC1 ZINC000629549578 460803670 /nfs/dbraw/zinc/80/36/70/460803670.db2.gz JYXITFRMOISBEJ-KRWDZBQOSA-N 2 0 346.519 3.371 10 0 EGAERP C(C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1)[C@H]1CC[NH2+]C1 ZINC000629549590 460804654 /nfs/dbraw/zinc/80/46/54/460804654.db2.gz KBMMBLNHPOEJHE-QGZVFWFLSA-N 2 0 346.519 3.371 10 0 EGAERP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000629555530 460805507 /nfs/dbraw/zinc/80/55/07/460805507.db2.gz WIJRXKMLKRNZFD-GVDBMIGSSA-N 2 0 342.405 3.038 10 0 EGAERP Cc1c2cccc(C)c2oc1C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000617505242 460883781 /nfs/dbraw/zinc/88/37/81/460883781.db2.gz YSZOEJIZMKTBDT-HNNXBMFYSA-N 2 0 345.487 3.051 10 0 EGAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000624271922 460942438 /nfs/dbraw/zinc/94/24/38/460942438.db2.gz MSBYHFVWGWJFAC-BQJUDKOJSA-N 2 0 327.516 3.113 10 0 EGAERP CC[NH+](CC)CC(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1 ZINC000617866186 461006914 /nfs/dbraw/zinc/00/69/14/461006914.db2.gz CRISVEPWLFFTRM-UHFFFAOYSA-N 2 0 346.500 3.171 10 0 EGAERP Cc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)ncc1Br ZINC000628183448 461036019 /nfs/dbraw/zinc/03/60/19/461036019.db2.gz BVWDQFRBATZTNV-TZMCWYRMSA-N 2 0 326.282 3.067 10 0 EGAERP CCc1nc(C)cc(N2CCN(Cc3cc4ccccc4[nH]3)CC2)n1 ZINC000624699177 461094837 /nfs/dbraw/zinc/09/48/37/461094837.db2.gz XCGXOVGUSUNFDX-UHFFFAOYSA-N 2 0 335.455 3.151 10 0 EGAERP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249736 461142798 /nfs/dbraw/zinc/14/27/98/461142798.db2.gz YZXSHESYEPJJJD-RBUKOAKNSA-N 2 0 330.472 3.133 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(Cl)cc2)C1 ZINC000652361199 461153920 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345.531 3.304 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)Nc2ccccc2OCC[NH+](CC)CC)CC[N@@H+]1C ZINC000630754300 461291050 /nfs/dbraw/zinc/29/10/50/461291050.db2.gz UUYSYNJXQUPGDY-FUHWJXTLSA-N 2 0 347.503 3.076 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CS1 ZINC000655688083 461362931 /nfs/dbraw/zinc/36/29/31/461362931.db2.gz JYTQPFOYCFJORO-MISYRCLQSA-N 2 0 347.572 3.239 10 0 EGAERP CC(C)[C@@H](O)[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668686917 461382589 /nfs/dbraw/zinc/38/25/89/461382589.db2.gz AMKQYQXXGRXPNC-LEWJYISDSA-N 2 0 339.483 3.398 10 0 EGAERP COc1ccc2cc(C[N@@H+]3CCO[C@H](CCC[NH+](C)C)C3)ccc2c1 ZINC000668786265 461435124 /nfs/dbraw/zinc/43/51/24/461435124.db2.gz XUQTXYPPBBVPTB-OAQYLSRUSA-N 2 0 342.483 3.391 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000655804335 461464638 /nfs/dbraw/zinc/46/46/38/461464638.db2.gz VBUBYPGVUSBWSV-JZESDUNXSA-N 3 0 329.532 3.359 10 0 EGAERP 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462387235 /nfs/dbraw/zinc/38/72/35/462387235.db2.gz WQHWGWPOEUSANA-QGZVFWFLSA-N 2 0 337.533 3.170 10 0 EGAERP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)COCc1ccccc1 ZINC000658130354 462396836 /nfs/dbraw/zinc/39/68/36/462396836.db2.gz OGCKGKHGUWJWAU-JSXRDJHFSA-N 2 0 346.515 3.071 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H]3CCCF)cc2)C1 ZINC000658135407 462398961 /nfs/dbraw/zinc/39/89/61/462398961.db2.gz DLQGLRKGBLZQEK-ZCNNSNEGSA-N 2 0 334.479 3.261 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCc4sccc43)cc2)C1 ZINC000658136675 462400826 /nfs/dbraw/zinc/40/08/26/462400826.db2.gz DSZOLJGWMMFKSL-MJGOQNOKSA-N 2 0 342.508 3.482 10 0 EGAERP CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658136610 462401009 /nfs/dbraw/zinc/40/10/09/462401009.db2.gz DOHZJGBFIGYCHO-OALUTQOASA-N 2 0 344.524 3.426 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cn1 ZINC000658139214 462401466 /nfs/dbraw/zinc/40/14/66/462401466.db2.gz PMFGVYJJEVOSTE-MOPGFXCFSA-N 2 0 343.446 3.028 10 0 EGAERP C[C@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138825 462401612 /nfs/dbraw/zinc/40/16/12/462401612.db2.gz OLDAUFSODCDRRD-OXQOHEQNSA-N 2 0 342.458 3.113 10 0 EGAERP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138327 462402151 /nfs/dbraw/zinc/40/21/51/462402151.db2.gz JDYSZDZSVZPDTA-QAPCUYQASA-N 2 0 330.497 3.474 10 0 EGAERP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138460 462402393 /nfs/dbraw/zinc/40/23/93/462402393.db2.gz NUHXMMSMYUJJAS-PBHICJAKSA-N 2 0 346.496 3.174 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cs1 ZINC000658140644 462404025 /nfs/dbraw/zinc/40/40/25/462404025.db2.gz VSMZLMBCIPXBDS-KXBFYZLASA-N 2 0 330.497 3.474 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142159 462404690 /nfs/dbraw/zinc/40/46/90/462404690.db2.gz YYZHSOAEUZEZJW-BBRMVZONSA-N 2 0 326.431 3.023 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4occc43)cc2)C1 ZINC000658141953 462404710 /nfs/dbraw/zinc/40/47/10/462404710.db2.gz YEMQRNNFXBVGSB-IEBWSBKVSA-N 2 0 326.440 3.013 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143231 462407658 /nfs/dbraw/zinc/40/76/58/462407658.db2.gz GKJGOBBEVMLRBM-FOIQADDNSA-N 2 0 328.431 3.243 10 0 EGAERP CCN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000649305788 462474274 /nfs/dbraw/zinc/47/42/74/462474274.db2.gz ARUBBNMTQXTXGL-WMZOPIPTSA-N 2 0 331.504 3.188 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H]2CCC[C@@H]21 ZINC000658329233 462479106 /nfs/dbraw/zinc/47/91/06/462479106.db2.gz KGYBIDAKPIEEKD-ILXRZTDVSA-N 2 0 328.378 3.390 10 0 EGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C2CC2)cc1 ZINC000356859345 535888917 /nfs/dbraw/zinc/88/89/17/535888917.db2.gz XTVOUSMCOHZDMK-WOJBJXKFSA-N 2 0 343.515 3.036 10 0 EGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@@H]2CCCC[C@H]2C2CC2)cc1 ZINC000356859344 535890332 /nfs/dbraw/zinc/89/03/32/535890332.db2.gz XTVOUSMCOHZDMK-VQTJNVASSA-N 2 0 343.515 3.036 10 0 EGAERP C[N@H+](CCN1CCC[C@@H]1C[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000181679610 547071894 /nfs/dbraw/zinc/07/18/94/547071894.db2.gz KTKJHWVKMKZGGY-HXUWFJFHSA-N 2 0 333.495 3.208 10 0 EGAERP COc1cc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2cc1OC ZINC000392426816 547832339 /nfs/dbraw/zinc/83/23/39/547832339.db2.gz WYZCINONKJSYNO-HUUCEWRRSA-N 2 0 327.428 3.291 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964245 547862628 /nfs/dbraw/zinc/86/26/28/547862628.db2.gz UMTYNSKETNCWPK-IAQYHMDHSA-N 2 0 334.261 3.085 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000675928720 549007210 /nfs/dbraw/zinc/00/72/10/549007210.db2.gz VWPSFCDJZQUKAD-SJORKVTESA-N 2 0 327.472 3.476 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)[C@@H](C)C1 ZINC000678277452 549455774 /nfs/dbraw/zinc/45/57/74/549455774.db2.gz JHZDWCZTOOYBQN-HNAYVOBHSA-N 2 0 342.487 3.247 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@H]2CCCCO2)[C@H](C)C1 ZINC000678598970 549528569 /nfs/dbraw/zinc/52/85/69/549528569.db2.gz WDNHFXQILXFAIK-CEXWTWQISA-N 2 0 340.552 3.308 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000682028772 550064120 /nfs/dbraw/zinc/06/41/20/550064120.db2.gz BAVDTUDAQRMEJH-HXUWFJFHSA-N 2 0 329.532 3.459 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@H](OC)C2)cc1 ZINC000684370276 550320565 /nfs/dbraw/zinc/32/05/65/550320565.db2.gz RLRTZFJULFLDSV-ICSRJNTNSA-N 2 0 334.504 3.454 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000685841404 550447053 /nfs/dbraw/zinc/44/70/53/550447053.db2.gz VPUZZQBWWABGLJ-FQEVSTJZSA-N 2 0 343.559 3.285 10 0 EGAERP Cc1cc([C@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)ccc1F ZINC000678687440 576169163 /nfs/dbraw/zinc/16/91/63/576169163.db2.gz YSQWNENQJADZFO-GHTZIAJQSA-N 2 0 345.506 3.343 10 0 EGAERP [NH3+][C@@H]1CC[C@H]2CN(Cc3cccc(Cl)c3Br)C[C@@H]12 ZINC000719432405 1298316871 /nfs/dbraw/zinc/31/68/71/1298316871.db2.gz AJSSHAAGYFRUSY-UFGOTCBOSA-N 2 0 329.669 3.272 10 0 EGAERP CCc1oc2ccccc2c1C[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000075771765 1292411591 /nfs/dbraw/zinc/41/15/91/1292411591.db2.gz CALWDOMALCIZAA-UHFFFAOYSA-N 2 0 329.488 3.111 10 0 EGAERP C[NH2+]C1CCC([N@H+](C)Cc2cc(Br)ccc2OC)CC1 ZINC000091871072 1292844783 /nfs/dbraw/zinc/84/47/83/1292844783.db2.gz WEKBCDZEIYESAO-UHFFFAOYSA-N 2 0 341.293 3.420 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156550404 1294148237 /nfs/dbraw/zinc/14/82/37/1294148237.db2.gz PVXDPXKTRFULDE-KRWDZBQOSA-N 2 0 339.524 3.098 10 0 EGAERP CN(C(=O)OC(C)(C)C)C1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000227800549 1296149451 /nfs/dbraw/zinc/14/94/51/1296149451.db2.gz ALGCCYUFQZAEFK-JWMHWRSXSA-N 2 0 325.497 3.024 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[C@H]([NH3+])CC2CCCCC2)C1 ZINC000870990761 1296168889 /nfs/dbraw/zinc/16/88/89/1296168889.db2.gz BHVNWJUZIVLSIJ-FXAWDEMLSA-N 2 0 337.552 3.288 10 0 EGAERP C[NH2+]C[C@H]1CCC[N@@H+]([C@@H](C)Cc2ccc(Br)cc2)C1 ZINC000234388058 1296180261 /nfs/dbraw/zinc/18/02/61/1296180261.db2.gz OZPIKKIZPUPIFF-DZGCQCFKSA-N 2 0 325.294 3.312 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000237161762 1296223067 /nfs/dbraw/zinc/22/30/67/1296223067.db2.gz FHXKFPLRMWSHHT-UHFFFAOYSA-N 2 0 325.456 3.092 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000871357554 1296367424 /nfs/dbraw/zinc/36/74/24/1296367424.db2.gz NVGBSUKVDQEZOH-SCCNAQOGSA-N 2 0 343.515 3.030 10 0 EGAERP C[NH+](C)[C@H](CC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000871359927 1296368931 /nfs/dbraw/zinc/36/89/31/1296368931.db2.gz AIQXAKMOAKXFLF-QPIRBTGLSA-N 2 0 331.504 3.059 10 0 EGAERP CC[NH+](CC)C[C@@H](O)CNc1cc[nH+]c2cc(C(F)(F)F)ccc12 ZINC000248272315 1296409945 /nfs/dbraw/zinc/40/99/45/1296409945.db2.gz WKUXXCRGYQIXNK-ZDUSSCGKSA-N 2 0 341.377 3.368 10 0 EGAERP CCO[C@H](CN[C@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754650 1322611133 /nfs/dbraw/zinc/61/11/33/1322611133.db2.gz QXURUMMXNKPUIO-GHMZBOCLSA-N 2 0 335.311 3.128 10 0 EGAERP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000872086729 1296726010 /nfs/dbraw/zinc/72/60/10/1296726010.db2.gz XKKCJAVSCLVVCF-DLBZAZTESA-N 2 0 344.421 3.464 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCCCCC[NH3+] ZINC000872154868 1296771822 /nfs/dbraw/zinc/77/18/22/1296771822.db2.gz CRSZXFUDVHGJCW-JKSUJKDBSA-N 2 0 337.533 3.251 10 0 EGAERP COc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155096 1296771971 /nfs/dbraw/zinc/77/19/71/1296771971.db2.gz LDYNHNXCGQLWHJ-ZDUSSCGKSA-N 2 0 341.883 3.127 10 0 EGAERP COc1ccnc(C[N@@H+]2CCC[C@H](C[C@H]([NH3+])C3CCCC3)C2)c1OC ZINC000872158775 1296779067 /nfs/dbraw/zinc/77/90/67/1296779067.db2.gz XQPQLSOHAGFCNE-WBVHZDCISA-N 2 0 347.503 3.218 10 0 EGAERP C[C@@H]1C[C@H](N2CCC[C@]3(CCC[NH2+]C3)C2)C[N@@H+]1Cc1ccccc1 ZINC000310185133 1297091632 /nfs/dbraw/zinc/09/16/32/1297091632.db2.gz VTSBECGVIPHYJD-GIVPXCGWSA-N 2 0 327.516 3.115 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260747 1297395041 /nfs/dbraw/zinc/39/50/41/1297395041.db2.gz GXOXUBBWNSCMPK-CLWJZODNSA-N 2 0 336.483 3.370 10 0 EGAERP CN(Cc1ccc2c(c1)C[NH2+]C2)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382792486 1297564266 /nfs/dbraw/zinc/56/42/66/1297564266.db2.gz QBLMXVAHRHRQQZ-FQEVSTJZSA-N 3 0 335.495 3.244 10 0 EGAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCCN(Cc2ccccc2)C1 ZINC000388337947 1297602710 /nfs/dbraw/zinc/60/27/10/1297602710.db2.gz GFSAJFVLZFHOIK-HSZRJFAPSA-N 2 0 349.522 3.429 10 0 EGAERP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC[NH2+]C(C)(C)C1 ZINC000719964895 1298324491 /nfs/dbraw/zinc/32/44/91/1298324491.db2.gz ZJJFPOKCURWNOP-HXUWFJFHSA-N 3 0 329.532 3.361 10 0 EGAERP COC(=O)[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886495392 1303476534 /nfs/dbraw/zinc/47/65/34/1303476534.db2.gz WDZLVBFKTOVYSW-MOPGFXCFSA-N 2 0 330.472 3.104 10 0 EGAERP c1cc2c(c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)n1)CCCC2 ZINC000892130757 1305260160 /nfs/dbraw/zinc/26/01/60/1305260160.db2.gz RVFQWNVFABSXRH-UHFFFAOYSA-N 2 0 343.515 3.037 10 0 EGAERP c1cc2c(c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n1)CCCC2 ZINC000892235151 1305289463 /nfs/dbraw/zinc/28/94/63/1305289463.db2.gz LDIHYGLEHSLBKH-LAUBAEHRSA-N 2 0 325.500 3.409 10 0 EGAERP COC(=O)c1cc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)[nH]c1C(C)C ZINC000894780107 1309067197 /nfs/dbraw/zinc/06/71/97/1309067197.db2.gz XAMJYSFOLNZMPG-INIZCTEOSA-N 2 0 347.503 3.088 10 0 EGAERP OC1(CC[NH2+]C2CC(C(F)F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000895646279 1309447152 /nfs/dbraw/zinc/44/71/52/1309447152.db2.gz GFBLKYADNNJRLR-UHFFFAOYSA-N 2 0 338.442 3.037 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CO[C@@H](C5CC5)C4)C[C@@H]3C2)cc1 ZINC000898519637 1310773532 /nfs/dbraw/zinc/77/35/32/1310773532.db2.gz PYWOCXORDUPICM-ZSYZGHEHSA-N 2 0 340.511 3.444 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000899234883 1316974121 /nfs/dbraw/zinc/97/41/21/1316974121.db2.gz TZGDOMXBNDBRMM-RBUKOAKNSA-N 2 0 329.488 3.341 10 0 EGAERP Cc1cc(C[NH2+]CC2CC[NH+](C)CC2)c(Br)cc1F ZINC000858127758 1328689247 /nfs/dbraw/zinc/68/92/47/1328689247.db2.gz PGLCGHNEHWSSRY-UHFFFAOYSA-N 2 0 329.257 3.328 10 0 EGAERP Cc1cc(C)c(N2CC[C@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159704 1328699434 /nfs/dbraw/zinc/69/94/34/1328699434.db2.gz CDXASKZBGNSVMW-ROUUACIJSA-N 2 0 343.515 3.180 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000858227923 1328716389 /nfs/dbraw/zinc/71/63/89/1328716389.db2.gz SFJMSDRLCZYHJF-IKGGRYGDSA-N 2 0 349.519 3.135 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1 ZINC000915157357 1319436355 /nfs/dbraw/zinc/43/63/55/1319436355.db2.gz GWXLFWUXEGKBAD-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CCO[C@@H](CN[C@@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754652 1322611054 /nfs/dbraw/zinc/61/10/54/1322611054.db2.gz QXURUMMXNKPUIO-QWRGUYRKSA-N 2 0 335.311 3.128 10 0 EGAERP CC(C)(C)OC(=O)NC(C)(C)C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922845146 1322631740 /nfs/dbraw/zinc/63/17/40/1322631740.db2.gz MGSRMPHOGIDZFW-UHFFFAOYSA-N 2 0 339.524 3.286 10 0 EGAERP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000923297519 1322727953 /nfs/dbraw/zinc/72/79/53/1322727953.db2.gz CGJCCMFIQFEGQM-MQVJKMGUSA-N 2 0 340.471 3.078 10 0 EGAERP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000923364340 1322740812 /nfs/dbraw/zinc/74/08/12/1322740812.db2.gz MJHDJPDKNNQLEG-VSKRKVRLSA-N 2 0 338.495 3.207 10 0 EGAERP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376706 1322742342 /nfs/dbraw/zinc/74/23/42/1322742342.db2.gz DYCGLWLXKOYRKV-MSOLQXFVSA-N 2 0 342.508 3.308 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cc(Cl)cc3cccnc31)CC2 ZINC000923451478 1322754037 /nfs/dbraw/zinc/75/40/37/1322754037.db2.gz OCQIJUGAYKMBJN-QGZVFWFLSA-N 2 0 345.874 3.218 10 0 EGAERP C[C@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923494432 1322761417 /nfs/dbraw/zinc/76/14/17/1322761417.db2.gz MUQKPKBBMMIRPI-RDJZCZTQSA-N 2 0 329.513 3.345 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923496060 1322761448 /nfs/dbraw/zinc/76/14/48/1322761448.db2.gz ZKJGSZQBZWJVGS-STQMWFEESA-N 2 0 348.288 3.414 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923501300 1322764034 /nfs/dbraw/zinc/76/40/34/1322764034.db2.gz PZYGXHHAFQGMJZ-TZMCWYRMSA-N 2 0 348.288 3.414 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000924859930 1323188872 /nfs/dbraw/zinc/18/88/72/1323188872.db2.gz GVGBLIQLELTTKE-LJQANCHMSA-N 2 0 332.488 3.304 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+]C3[C@H](C)COC[C@H]3C)CC2)cc1 ZINC000924858253 1323189397 /nfs/dbraw/zinc/18/93/97/1323189397.db2.gz ZGZGBMCNHUQLPS-IAGOWNOFSA-N 2 0 346.515 3.168 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000925256578 1325100696 /nfs/dbraw/zinc/10/06/96/1325100696.db2.gz LDWMWRPGUGWLLJ-IBGZPJMESA-N 2 0 345.531 3.374 10 0 EGAERP Cc1nc2c(o1)CCC[C@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925300214 1325117520 /nfs/dbraw/zinc/11/75/20/1325117520.db2.gz IUOKIWHRPAFHHV-QGZVFWFLSA-N 2 0 326.444 3.262 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)ccc1F ZINC000925498944 1325179519 /nfs/dbraw/zinc/17/95/19/1325179519.db2.gz UEODFVWXOZGSSZ-FQEVSTJZSA-N 3 0 329.463 3.457 10 0 EGAERP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925507249 1325183042 /nfs/dbraw/zinc/18/30/42/1325183042.db2.gz XGIPFNFLQIEHOF-QHAWAJNXSA-N 2 0 346.515 3.265 10 0 EGAERP COc1ccc([C@H](CN[C@@H]2CC[NH2+]C23CCCC3)[NH+]2CCCC2)cc1 ZINC000925509314 1325183511 /nfs/dbraw/zinc/18/35/11/1325183511.db2.gz LPBRAEARUINMEE-VQTJNVASSA-N 2 0 343.515 3.096 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC1 ZINC000925534383 1325196611 /nfs/dbraw/zinc/19/66/11/1325196611.db2.gz LDGQHEGCUYDRNM-UXPWSPDFSA-N 2 0 343.515 3.030 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925552692 1325204502 /nfs/dbraw/zinc/20/45/02/1325204502.db2.gz LWXYOTSDUWXAGD-OALUTQOASA-N 2 0 339.483 3.344 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1 ZINC000925551162 1325204861 /nfs/dbraw/zinc/20/48/61/1325204861.db2.gz FKQYKTBKMXDHMU-SJLPKXTDSA-N 2 0 344.890 3.384 10 0 EGAERP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)n1 ZINC000925595850 1325226082 /nfs/dbraw/zinc/22/60/82/1325226082.db2.gz UQBXJDRHNBPPFD-DLBZAZTESA-N 2 0 342.487 3.337 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608429 1325230159 /nfs/dbraw/zinc/23/01/59/1325230159.db2.gz XQPXDNLIJAKEGN-SUMDDJOVSA-N 2 0 330.520 3.103 10 0 EGAERP CCC1(C[NH2+][C@@H](C)c2cnn(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000925621172 1325235034 /nfs/dbraw/zinc/23/50/34/1325235034.db2.gz ZMKMRSSLANMSDR-KRWDZBQOSA-N 2 0 341.503 3.158 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)[C@H](O)c1c(Cl)cccc1Cl ZINC000925620410 1325235470 /nfs/dbraw/zinc/23/54/70/1325235470.db2.gz WBQICBMVUMDFHY-WTKQLKIWSA-N 2 0 329.271 3.275 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925635951 1325241183 /nfs/dbraw/zinc/24/11/83/1325241183.db2.gz VOIJNYGNXBWZAH-IHPCNDPISA-N 2 0 344.499 3.266 10 0 EGAERP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1Cl ZINC000925639948 1325243582 /nfs/dbraw/zinc/24/35/82/1325243582.db2.gz NQSTYCVCURJCRV-MNEFBYGVSA-N 2 0 336.907 3.305 10 0 EGAERP CC1(C)[C@H]([NH2+][C@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648097 1325246262 /nfs/dbraw/zinc/24/62/62/1325246262.db2.gz OJYRCMFPDQTGHP-XCDZQEORSA-N 2 0 332.463 3.412 10 0 EGAERP Cc1noc(C[C@H]([NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c2ccccc2)n1 ZINC000925651705 1325247528 /nfs/dbraw/zinc/24/75/28/1325247528.db2.gz JIDNUEFOJXIXNW-IKGGRYGDSA-N 2 0 328.460 3.157 10 0 EGAERP C[C@]1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000925654406 1325248503 /nfs/dbraw/zinc/24/85/03/1325248503.db2.gz LSIPWGZPQISGMU-SFHLNBCPSA-N 2 0 329.532 3.394 10 0 EGAERP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925666977 1325256301 /nfs/dbraw/zinc/25/63/01/1325256301.db2.gz WTLVWRQXMMQNTP-BPUTZDHNSA-N 2 0 338.517 3.037 10 0 EGAERP COc1ccc(-c2cc(C[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)on2)cc1 ZINC000925710016 1325267318 /nfs/dbraw/zinc/26/73/18/1325267318.db2.gz PVQPMFUYWUIDJT-HUUCEWRRSA-N 2 0 329.444 3.346 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000925724952 1325270664 /nfs/dbraw/zinc/27/06/64/1325270664.db2.gz OFJUPUXLAFJJEL-KFWWJZLASA-N 2 0 330.394 3.234 10 0 EGAERP CC1(C)C[C@@H]([NH2+][C@@H](CO)c2cccc(C(F)(F)F)c2)C[C@@H]([NH3+])C1 ZINC000925724951 1325270957 /nfs/dbraw/zinc/27/09/57/1325270957.db2.gz OFJUPUXLAFJJEL-ILXRZTDVSA-N 2 0 330.394 3.234 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCc2sc(Br)cc21 ZINC000925803794 1325307337 /nfs/dbraw/zinc/30/73/37/1325307337.db2.gz VOJDNSFPZURVAS-FOGDFJRCSA-N 2 0 329.307 3.333 10 0 EGAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(SCC(F)F)cc1 ZINC000925812661 1325312914 /nfs/dbraw/zinc/31/29/14/1325312914.db2.gz XWPREQSQBRZAAS-ZDUSSCGKSA-N 2 0 343.487 3.118 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC000925833259 1325321690 /nfs/dbraw/zinc/32/16/90/1325321690.db2.gz ZPNYXMKDSNYQKQ-TUUVXOQKSA-N 2 0 330.394 3.035 10 0 EGAERP Cc1nc2c(cccc2CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)o1 ZINC000925838763 1325322480 /nfs/dbraw/zinc/32/24/80/1325322480.db2.gz NXSUKPFYAXMEDT-QZTJIDSGSA-N 2 0 327.472 3.437 10 0 EGAERP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925839350 1325322698 /nfs/dbraw/zinc/32/26/98/1325322698.db2.gz AYQPQVAZXIMUAB-OYNPSCLESA-N 2 0 327.516 3.019 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925844149 1325325645 /nfs/dbraw/zinc/32/56/45/1325325645.db2.gz QUVBTADLPIVTBI-XFQXTVEOSA-N 2 0 344.503 3.399 10 0 EGAERP CC(C)CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850101 1325329159 /nfs/dbraw/zinc/32/91/59/1325329159.db2.gz NBWWKXIHIPDIFH-IAGOWNOFSA-N 2 0 334.460 3.032 10 0 EGAERP CCC[C@H](CCc1ccccc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851162 1325330587 /nfs/dbraw/zinc/33/05/87/1325330587.db2.gz MMWJTVOEQXKZQS-RTBURBONSA-N 2 0 344.499 3.063 10 0 EGAERP CCSc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925851724 1325330624 /nfs/dbraw/zinc/33/06/24/1325330624.db2.gz NGVFIAIXTGCPEQ-ZBFHGGJFSA-N 2 0 348.512 3.135 10 0 EGAERP CCC(C)(C)C1CCC([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925856034 1325331780 /nfs/dbraw/zinc/33/17/80/1325331780.db2.gz PBOKPIGMYHBDKC-JCYILVPMSA-N 2 0 336.520 3.256 10 0 EGAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925880992 1325340977 /nfs/dbraw/zinc/34/09/77/1325340977.db2.gz PFGSRJUWJUTKQG-PCCBWWKXSA-N 2 0 328.500 3.448 10 0 EGAERP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1OC ZINC000925887730 1325344429 /nfs/dbraw/zinc/34/44/29/1325344429.db2.gz LCZFDGXMEBPWNX-FPDPHYFHSA-N 2 0 340.467 3.414 10 0 EGAERP C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926112497 1325433644 /nfs/dbraw/zinc/43/36/44/1325433644.db2.gz WSBNSIYRCKVDJA-XSLXLRSOSA-N 2 0 328.500 3.444 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000926636123 1327646523 /nfs/dbraw/zinc/64/65/23/1327646523.db2.gz RVNSWCCNHGXUFG-CGXNFDGLSA-N 2 0 328.500 3.127 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926766036 1327706912 /nfs/dbraw/zinc/70/69/12/1327706912.db2.gz OOZKPJUMBANMMP-CQSZACIVSA-N 2 0 339.439 3.044 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+]CCc2cn(C)c3ncccc23)CC1 ZINC000926804218 1327725418 /nfs/dbraw/zinc/72/54/18/1327725418.db2.gz VNNVOIGKUUVLIT-UHFFFAOYSA-N 2 0 328.504 3.216 10 0 EGAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccns1 ZINC000926854644 1327741237 /nfs/dbraw/zinc/74/12/37/1327741237.db2.gz DXKWCAAIDIDKEJ-MRXNPFEDSA-N 2 0 345.512 3.211 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@H]2C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876096 1327750990 /nfs/dbraw/zinc/75/09/90/1327750990.db2.gz IFTLYHRPBZGWCF-BPERIUBUSA-N 2 0 346.515 3.371 10 0 EGAERP Cc1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC000926910275 1327771236 /nfs/dbraw/zinc/77/12/36/1327771236.db2.gz JZVPDEVAYSTIGI-WKCHPHFGSA-N 2 0 338.499 3.056 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942682 1327787222 /nfs/dbraw/zinc/78/72/22/1327787222.db2.gz QGTBGUCMXQMBSW-KPACCLEDSA-N 2 0 326.484 3.078 10 0 EGAERP C[C@@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000927158160 1327898443 /nfs/dbraw/zinc/89/84/43/1327898443.db2.gz BBQVLSSPUWGWLH-APWZRJJASA-N 2 0 332.488 3.379 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(OC)c(C[NH+](CC)CC)c1 ZINC000863543412 1329561767 /nfs/dbraw/zinc/56/17/67/1329561767.db2.gz OFZNRKHRGPEVAV-AYOQOUSVSA-N 2 0 333.520 3.328 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2nc(C(C)(C)C)cs2)C[C@@H](C)O1 ZINC000865470978 1329701980 /nfs/dbraw/zinc/70/19/80/1329701980.db2.gz IAYHMDYIRPKDGP-HUUCEWRRSA-N 2 0 339.549 3.420 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2cccnc2Br)CC1 ZINC000865510162 1329707268 /nfs/dbraw/zinc/70/72/68/1329707268.db2.gz XGZQGFMPYWANLL-UHFFFAOYSA-N 2 0 326.282 3.054 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865762871 1329735958 /nfs/dbraw/zinc/73/59/58/1329735958.db2.gz XYPBSGJMROYKEY-TZIWHRDSSA-N 2 0 346.515 3.312 10 0 EGAERP CCc1nc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)cs1 ZINC000865773669 1329736919 /nfs/dbraw/zinc/73/69/19/1329736919.db2.gz GUFYKEFKMWGFHH-UHFFFAOYSA-N 2 0 329.513 3.459 10 0 EGAERP CC(C)n1ccnc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865775512 1329737152 /nfs/dbraw/zinc/73/71/52/1329737152.db2.gz XDBWTZSRQGDXFF-UHFFFAOYSA-N 2 0 326.488 3.217 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000866307171 1330093909 /nfs/dbraw/zinc/09/39/09/1330093909.db2.gz SJBDOCSBGCNNCL-AKQDLLBKSA-N 2 0 346.490 3.417 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000866343373 1330099157 /nfs/dbraw/zinc/09/91/57/1330099157.db2.gz ZVTVQFPFZDYOCX-UWJYYQICSA-N 2 0 337.511 3.443 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)C2)cc1 ZINC000866353118 1330100970 /nfs/dbraw/zinc/10/09/70/1330100970.db2.gz WCRQBNOSZZCNKS-HLAWJBBLSA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000866388138 1330105402 /nfs/dbraw/zinc/10/54/02/1330105402.db2.gz BYEGXPDSUVASJN-FPOVZHCZSA-N 2 0 339.483 3.135 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2[C@@H]3OC[C@H]4C[C@H]2C[C@H]34)CC1 ZINC000866447228 1330113470 /nfs/dbraw/zinc/11/34/70/1330113470.db2.gz WYYIZZFNFQLMEO-OTDWMPRZSA-N 2 0 340.511 3.443 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866510264 1330119898 /nfs/dbraw/zinc/11/98/98/1330119898.db2.gz MBVJTRPSBLWBST-SCWSEQNSSA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517002 1330120857 /nfs/dbraw/zinc/12/08/57/1330120857.db2.gz UOQNPYZISCFOBD-QXWDQEIOSA-N 2 0 344.547 3.145 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+][C@@H](c2ncc[nH]2)c2ccc(F)cc2)CC1 ZINC000866517867 1330121276 /nfs/dbraw/zinc/12/12/76/1330121276.db2.gz PRWISQDYTRLCAB-TVRKMHQQSA-N 2 0 330.451 3.491 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H](NCc2noc3cc(F)ccc23)[C@@H](C)C1 ZINC000866611779 1330132867 /nfs/dbraw/zinc/13/28/67/1330132867.db2.gz WUIDMKGTAVZXLD-WMLDXEAASA-N 2 0 349.450 3.194 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323145817 1387301951 /nfs/dbraw/zinc/30/19/51/1387301951.db2.gz ASPYIILGMLVBNF-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001323860704 1387482137 /nfs/dbraw/zinc/48/21/37/1387482137.db2.gz UKFRUWGVJHTXLM-HTQXOKQJSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001324098159 1387541204 /nfs/dbraw/zinc/54/12/04/1387541204.db2.gz PRNXLTXLDKKCSK-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001324340669 1387599621 /nfs/dbraw/zinc/59/96/21/1387599621.db2.gz WTOCYOVHOTWUQH-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001324496024 1387649471 /nfs/dbraw/zinc/64/94/71/1387649471.db2.gz SPRNETOQMUMAPD-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC2CC2)C2CCCC2)CC1 ZINC001324507141 1387655577 /nfs/dbraw/zinc/65/55/77/1387655577.db2.gz RAUIYVJDRIEOOS-HXUWFJFHSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788787 1387773211 /nfs/dbraw/zinc/77/32/11/1387773211.db2.gz LETLYAVIUHKEJY-WIYYLYMNSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001324936786 1387833198 /nfs/dbraw/zinc/83/31/98/1387833198.db2.gz PKXONZLIKUSKOJ-NRFANRHFSA-N 2 0 349.563 3.435 10 0 EGAERP CCOC(=O)CCCC[N@@H+]1C[C@H]2C[NH+](Cc3ccccc3)C[C@@]2(C)C1 ZINC001197590097 1368847849 /nfs/dbraw/zinc/84/78/49/1368847849.db2.gz PWECKJVAFKXBJL-PZJWPPBQSA-N 2 0 344.499 3.174 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325426184 1387970208 /nfs/dbraw/zinc/97/02/08/1387970208.db2.gz DMYCJCPGRVRPOJ-ZSQQTYLHSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)C ZINC001325916954 1388080770 /nfs/dbraw/zinc/08/07/70/1388080770.db2.gz KGSRHYXVLZDJQM-XUVXKRRUSA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)CC ZINC001325918099 1388081682 /nfs/dbraw/zinc/08/16/82/1388081682.db2.gz DPDNZOMEPKZYAE-YZBXUTEPSA-N 2 0 335.536 3.140 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4c(c3)CCC4)cc2)C1 ZINC001118424384 1371179465 /nfs/dbraw/zinc/17/94/65/1371179465.db2.gz WZKADBQMECDIMM-QFIPXVFZSA-N 2 0 336.479 3.032 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@H]1CCCC[C@@H]1[NH3+] ZINC001326408798 1388180337 /nfs/dbraw/zinc/18/03/37/1388180337.db2.gz OMZXYDYZAABAJF-UXPWSPDFSA-N 2 0 343.515 3.195 10 0 EGAERP CC(C)[C@@H](C(=O)NCc1ccccc1C[N@H+](C)CC1CCC1)[NH+](C)C ZINC001326449662 1388194683 /nfs/dbraw/zinc/19/46/83/1388194683.db2.gz QWNDNRKYGSUYLK-FQEVSTJZSA-N 2 0 345.531 3.121 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001326521642 1388228265 /nfs/dbraw/zinc/22/82/65/1388228265.db2.gz MEUYZHZDACNGCP-FHWLQOOXSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1)[NH+]1CCCCCC1 ZINC001326898312 1388342777 /nfs/dbraw/zinc/34/27/77/1388342777.db2.gz GMWNELSHSNFZTR-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001327164512 1388417707 /nfs/dbraw/zinc/41/77/07/1388417707.db2.gz UQBLVHTXIZPALX-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001263901745 1377138340 /nfs/dbraw/zinc/13/83/40/1377138340.db2.gz HXVIEJYHFQAMCV-XWTMOSNGSA-N 2 0 337.552 3.027 10 0 EGAERP CCc1cccc(C[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001266119825 1377196249 /nfs/dbraw/zinc/19/62/49/1377196249.db2.gz NGMRDEXYPGKUKG-HXUWFJFHSA-N 2 0 345.531 3.012 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001266143653 1377206023 /nfs/dbraw/zinc/20/60/23/1377206023.db2.gz SRFYVEDBHNMQLY-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP Cc1cc(C)c(C[N@H+](C)CCNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)c1 ZINC001266284771 1377258771 /nfs/dbraw/zinc/25/87/71/1377258771.db2.gz KRHICQRMINKZHH-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCC(C)C)C1)c1ccccc1 ZINC001266559792 1377333860 /nfs/dbraw/zinc/33/38/60/1377333860.db2.gz NJCAEUSFIJXTJY-PMACEKPBSA-N 2 0 345.531 3.306 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001267086168 1377411185 /nfs/dbraw/zinc/41/11/85/1377411185.db2.gz MUNPZIHMQCYHFE-OALUTQOASA-N 2 0 347.547 3.236 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001267179860 1377425251 /nfs/dbraw/zinc/42/52/51/1377425251.db2.gz SPKQIUJCJUAKCL-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H]2CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001267181119 1377426878 /nfs/dbraw/zinc/42/68/78/1377426878.db2.gz GUYQFWFEXFLTFC-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001267456408 1377445669 /nfs/dbraw/zinc/44/56/69/1377445669.db2.gz WLNUHLFJZFLCKT-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001268493649 1377510172 /nfs/dbraw/zinc/51/01/72/1377510172.db2.gz XSZKSXWUYJSFAR-UHFFFAOYSA-N 2 0 348.535 3.342 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001272881212 1378082056 /nfs/dbraw/zinc/08/20/56/1378082056.db2.gz BFLQFKZVFOUJOM-CQSZACIVSA-N 2 0 330.476 3.177 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001273084303 1378087030 /nfs/dbraw/zinc/08/70/30/1378087030.db2.gz JLBSQOMEKIPMBQ-GOSISDBHSA-N 2 0 347.547 3.068 10 0 EGAERP CCCCCC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001275608667 1378147549 /nfs/dbraw/zinc/14/75/49/1378147549.db2.gz DIJPXMBPNWTQPO-UHFFFAOYSA-N 2 0 337.552 3.410 10 0 EGAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001327492499 1388535258 /nfs/dbraw/zinc/53/52/58/1388535258.db2.gz KIUNMMZNSDFVHR-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCC[NH2+][C@@H]1CCc2c1cccc2F ZINC001277364064 1378219430 /nfs/dbraw/zinc/21/94/30/1378219430.db2.gz YTWSBZDPPANWMN-HNAYVOBHSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH+]2CC[C@H](F)C2)cc1 ZINC001141770350 1378373893 /nfs/dbraw/zinc/37/38/93/1378373893.db2.gz OJZYPVXLTZSBMC-WMZOPIPTSA-N 2 0 347.478 3.433 10 0 EGAERP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CC[NH+](C)C3)cc2C1 ZINC001281298375 1378413353 /nfs/dbraw/zinc/41/33/53/1378413353.db2.gz KCJOEVOCDUXIBC-IBGZPJMESA-N 2 0 343.515 3.006 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1ccccc1F)[NH+](C)C ZINC001282666873 1378538189 /nfs/dbraw/zinc/53/81/89/1378538189.db2.gz TYMFDOMNLILFTC-PKOBYXMFSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001282715104 1378574086 /nfs/dbraw/zinc/57/40/86/1378574086.db2.gz OLMYRCXUPDIHKD-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001283101058 1378732391 /nfs/dbraw/zinc/73/23/91/1378732391.db2.gz CWOMUIUDQRYUPQ-VBSBHUPXSA-N 2 0 345.531 3.208 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001283262456 1378775409 /nfs/dbraw/zinc/77/54/09/1378775409.db2.gz WPDMVSZGRUFEET-RBUKOAKNSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001283344480 1378829326 /nfs/dbraw/zinc/82/93/26/1378829326.db2.gz RUHKSJUYVNLLPK-QGZVFWFLSA-N 2 0 331.504 3.011 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001147198225 1378984959 /nfs/dbraw/zinc/98/49/59/1378984959.db2.gz FKQLXIDBJOLSIN-QWFCFKBJSA-N 2 0 345.531 3.086 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001283914152 1379264208 /nfs/dbraw/zinc/26/42/08/1379264208.db2.gz WTZQKBYCPFLWBV-FXAWDEMLSA-N 2 0 345.531 3.377 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001284035022 1379385150 /nfs/dbraw/zinc/38/51/50/1379385150.db2.gz YOCRBXYOBPUOFK-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001284057251 1379409257 /nfs/dbraw/zinc/40/92/57/1379409257.db2.gz KMBIDPAURNIAOP-GHTZIAJQSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCCC3)[C@@H]2C1 ZINC001284095628 1379461655 /nfs/dbraw/zinc/46/16/55/1379461655.db2.gz IFAJVZWFEVCPIZ-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001284130835 1379511898 /nfs/dbraw/zinc/51/18/98/1379511898.db2.gz XTPUGCFLCYLJAS-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001284133459 1379519462 /nfs/dbraw/zinc/51/94/62/1379519462.db2.gz XODMSTDCIPSHJA-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001284191593 1379584334 /nfs/dbraw/zinc/58/43/34/1379584334.db2.gz QOXDXFLTIYPAOZ-OALUTQOASA-N 2 0 347.547 3.070 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001284295838 1379684124 /nfs/dbraw/zinc/68/41/24/1379684124.db2.gz MFNCPSQRYFOQRH-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001284348167 1379746444 /nfs/dbraw/zinc/74/64/44/1379746444.db2.gz JFVZXAPTIJDPCV-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001327937971 1388627310 /nfs/dbraw/zinc/62/73/10/1388627310.db2.gz BDIRKJITGSOMAS-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+]1C1CCCCCC1 ZINC001152052784 1379851577 /nfs/dbraw/zinc/85/15/77/1379851577.db2.gz JFEVMIIXNCUWTD-MOPGFXCFSA-N 2 0 335.536 3.164 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCC[NH+]2C)C(C)C)cc1C ZINC001284530813 1379937247 /nfs/dbraw/zinc/93/72/47/1379937247.db2.gz ZYBABUYSTWCQPA-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001284553648 1379961478 /nfs/dbraw/zinc/96/14/78/1379961478.db2.gz RWKJODHPPHYGFO-MOPGFXCFSA-N 2 0 339.568 3.322 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284629973 1380034010 /nfs/dbraw/zinc/03/40/10/1380034010.db2.gz BVVAOVHORAHIMB-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001284702818 1380118736 /nfs/dbraw/zinc/11/87/36/1380118736.db2.gz WKEXCBVMDFSXID-MSOLQXFVSA-N 2 0 343.515 3.060 10 0 EGAERP CCC(CC)C[NH+]1CCC(C2(NC(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001284846515 1380269076 /nfs/dbraw/zinc/26/90/76/1380269076.db2.gz PRGSKSKWFJPNHG-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001155677168 1380481583 /nfs/dbraw/zinc/48/15/83/1380481583.db2.gz NNPWUIMFBHDFPD-SARBKMAYSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](C(C)C)CC1(C)C)c1ccccc1 ZINC001328099357 1388670577 /nfs/dbraw/zinc/67/05/77/1388670577.db2.gz UMGDQMBWQJIKHZ-MOPGFXCFSA-N 2 0 345.531 3.305 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@@H]1C ZINC001328254021 1388699288 /nfs/dbraw/zinc/69/92/88/1388699288.db2.gz DEOZOGUCDITHDL-OPDSQHBBSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001328735517 1388834027 /nfs/dbraw/zinc/83/40/27/1388834027.db2.gz CKCQCRIDDYQNJT-LSWULPBNSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001328799792 1388869752 /nfs/dbraw/zinc/86/97/52/1388869752.db2.gz ZEUKHFJQCOWUBF-FQEVSTJZSA-N 2 0 345.531 3.087 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001167706421 1383718024 /nfs/dbraw/zinc/71/80/24/1383718024.db2.gz HVXFCHBVKTWAOR-UHFFFAOYSA-N 2 0 330.476 3.141 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601464 1384468329 /nfs/dbraw/zinc/46/83/29/1384468329.db2.gz PWDQUSPNVGNYPW-ZWKOTPCHSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1)n1ccnc1 ZINC001316662122 1384510393 /nfs/dbraw/zinc/51/03/93/1384510393.db2.gz CVSJYVIOJIKVBM-IXDOHACOSA-N 2 0 334.508 3.145 10 0 EGAERP CC(C)[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001316669739 1384514096 /nfs/dbraw/zinc/51/40/96/1384514096.db2.gz QQTICIUVEDXXBU-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001316770714 1384569513 /nfs/dbraw/zinc/56/95/13/1384569513.db2.gz NTGCJXSQXDOGBR-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)[NH+](CC)CC ZINC001316772180 1384570756 /nfs/dbraw/zinc/57/07/56/1384570756.db2.gz IKXHDXXNSLHRTN-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001316790924 1384584688 /nfs/dbraw/zinc/58/46/88/1384584688.db2.gz SENJZIOSUFQHGP-AEFFLSMTSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316804330 1384594128 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10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1 ZINC001317100442 1384862945 /nfs/dbraw/zinc/86/29/45/1384862945.db2.gz ITQVSAGVBDPXAP-IHWFROFDSA-N 2 0 347.547 3.164 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001317099918 1384863080 /nfs/dbraw/zinc/86/30/80/1384863080.db2.gz LEXYIKIXMDKYSI-ILWWCXPUSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001317113093 1384874030 /nfs/dbraw/zinc/87/40/30/1384874030.db2.gz LWYLKGLEPMHXPJ-KFWWJZLASA-N 2 0 349.906 3.122 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317115192 1384875579 /nfs/dbraw/zinc/87/55/79/1384875579.db2.gz MHRJEMGIJLCQIY-CALCHBBNSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001317138858 1384903927 /nfs/dbraw/zinc/90/39/27/1384903927.db2.gz WHODIHCRZWTJLI-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317153413 1384919230 /nfs/dbraw/zinc/91/92/30/1384919230.db2.gz QONHNLUJTXNDAS-KJBZUCPPSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001317185487 1384960439 /nfs/dbraw/zinc/96/04/39/1384960439.db2.gz VBRJRAJHSNSDKY-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317194822 1384969210 /nfs/dbraw/zinc/96/92/10/1384969210.db2.gz GPIMRLDCDVZANL-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CC1CCC1 ZINC001317197469 1384972143 /nfs/dbraw/zinc/97/21/43/1384972143.db2.gz AROXPYNZZLBRGL-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CCC(C)(C)C ZINC001317259676 1385029793 /nfs/dbraw/zinc/02/97/93/1385029793.db2.gz XXWVSPJWLVXSGR-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001317295503 1385067879 /nfs/dbraw/zinc/06/78/79/1385067879.db2.gz ZLFGQZRSUITGMR-YLJYHZDGSA-N 2 0 345.531 3.279 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001317426982 1385132366 /nfs/dbraw/zinc/13/23/66/1385132366.db2.gz ORBZXISVQHRUKG-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCC2CCCCC2)C1 ZINC001317434673 1385138215 /nfs/dbraw/zinc/13/82/15/1385138215.db2.gz MWFWDUVKQNCAHK-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)CCC(C)(C)C ZINC001317487689 1385185713 /nfs/dbraw/zinc/18/57/13/1385185713.db2.gz CFRWPGQXNCDIFI-UHFFFAOYSA-N 2 0 333.520 3.236 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001317514354 1385228360 /nfs/dbraw/zinc/22/83/60/1385228360.db2.gz UWCRLURBRPYPTG-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001317514353 1385228429 /nfs/dbraw/zinc/22/84/29/1385228429.db2.gz UWCRLURBRPYPTG-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001317532271 1385258397 /nfs/dbraw/zinc/25/83/97/1385258397.db2.gz ZUFCHZYSRSPPMY-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317531842 1385258757 /nfs/dbraw/zinc/25/87/57/1385258757.db2.gz FQOMBOVFNRJZML-RBUKOAKNSA-N 2 0 345.531 3.226 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@@H](C)c1ccccc1 ZINC001317541323 1385279088 /nfs/dbraw/zinc/27/90/88/1385279088.db2.gz UQAXQFSLCNJQCJ-CGTJXYLNSA-N 2 0 340.471 3.103 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC(C)(C)C ZINC001317693656 1385402872 /nfs/dbraw/zinc/40/28/72/1385402872.db2.gz NNQYLWFQQPLPGT-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CC(C)C1)C(C)C ZINC001317708613 1385410682 /nfs/dbraw/zinc/41/06/82/1385410682.db2.gz JIAAYAXJTAXJPE-CTWPCTMYSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001317792023 1385485086 /nfs/dbraw/zinc/48/50/86/1385485086.db2.gz GROISSAPQNROIU-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317854377 1385537807 /nfs/dbraw/zinc/53/78/07/1385537807.db2.gz PXDUFGITMDEZFT-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CCC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001317876673 1385556026 /nfs/dbraw/zinc/55/60/26/1385556026.db2.gz LNIJOPJQANEHHK-PXDRNWIDSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001317881007 1385558854 /nfs/dbraw/zinc/55/88/54/1385558854.db2.gz CECGYYXNXQNLHL-VQTJNVASSA-N 2 0 349.563 3.243 10 0 EGAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1c(C)ccc2ccccc21 ZINC001698613433 1406243738 /nfs/dbraw/zinc/24/37/38/1406243738.db2.gz HDVUTMLVGMMIIS-SFHVURJKSA-N 2 0 341.499 3.084 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001318543572 1385747049 /nfs/dbraw/zinc/74/70/49/1385747049.db2.gz XBOBLQJTDZJYJE-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001319084654 1385955830 /nfs/dbraw/zinc/95/58/30/1385955830.db2.gz FMPDCUVMGQWQLO-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C)c1cccc(F)c1 ZINC001319124394 1385968013 /nfs/dbraw/zinc/96/80/13/1385968013.db2.gz KWNFULWWYPEWHX-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001319197938 1386002518 /nfs/dbraw/zinc/00/25/18/1386002518.db2.gz QVGCIADAMRXSQI-YLJYHZDGSA-N 2 0 345.531 3.020 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CCCC2)C1 ZINC001319388843 1386098608 /nfs/dbraw/zinc/09/86/08/1386098608.db2.gz CCDFULGPMOALLU-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@H+](CCC)C1)CC2 ZINC001319405263 1386107096 /nfs/dbraw/zinc/10/70/96/1386107096.db2.gz LFWFGZYEYCCYRZ-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001319478224 1386139961 /nfs/dbraw/zinc/13/99/61/1386139961.db2.gz SLHBJAKLBBZMMF-OXJNMPFZSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H](C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1)[NH+]1CCCCCC1 ZINC001698632934 1406276980 /nfs/dbraw/zinc/27/69/80/1406276980.db2.gz CUWWPZJPKMTTHI-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC1CCC1)C1CCCCC1 ZINC001319649595 1386232328 /nfs/dbraw/zinc/23/23/28/1386232328.db2.gz ZNNVNFLHVVVAJY-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001319658116 1386238021 /nfs/dbraw/zinc/23/80/21/1386238021.db2.gz WFEFYMWOXYXIJW-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319749591 1386279557 /nfs/dbraw/zinc/27/95/57/1386279557.db2.gz GURGHTDWINEPHM-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319749585 1386280001 /nfs/dbraw/zinc/28/00/01/1386280001.db2.gz GURGHTDWINEPHM-MOPGFXCFSA-N 2 0 337.552 3.410 10 0 EGAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319999599 1386444160 /nfs/dbraw/zinc/44/41/60/1386444160.db2.gz JVNVKHRUHOZQQA-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001320000380 1386445597 /nfs/dbraw/zinc/44/55/97/1386445597.db2.gz VZMGWAKDXGRECW-XUVXKRRUSA-N 2 0 345.531 3.258 10 0 EGAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001320029128 1386462828 /nfs/dbraw/zinc/46/28/28/1386462828.db2.gz PNGYJWNGQMPMJZ-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001320111840 1386520282 /nfs/dbraw/zinc/52/02/82/1386520282.db2.gz BGJMOCZBEGWKOS-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@H]21 ZINC001320112177 1386520393 /nfs/dbraw/zinc/52/03/93/1386520393.db2.gz SJNRDMABCXBGCP-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320463013 1386616140 /nfs/dbraw/zinc/61/61/40/1386616140.db2.gz CUJDQWPAAWFESP-UZLBHIALSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001698674214 1406322845 /nfs/dbraw/zinc/32/28/45/1406322845.db2.gz SRNYMCVZDGRASY-INIZCTEOSA-N 2 0 349.544 3.052 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)CC1 ZINC001321314175 1386873467 /nfs/dbraw/zinc/87/34/67/1386873467.db2.gz FBVXJFYDDHIKPN-SREVYHEPSA-N 2 0 347.547 3.259 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001322087352 1387049449 /nfs/dbraw/zinc/04/94/49/1387049449.db2.gz HNOYNOCCBMOQNP-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N(C)C(=O)OC(C)(C)C ZINC001322444137 1387187585 /nfs/dbraw/zinc/18/75/85/1387187585.db2.gz BDSKZAJYNNUMOZ-VQHPVUNQSA-N 2 0 339.524 3.094 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001322662812 1387220850 /nfs/dbraw/zinc/22/08/50/1387220850.db2.gz VCQSLLRITJGOBT-NSHGMRRFSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001698706999 1406348584 /nfs/dbraw/zinc/34/85/84/1406348584.db2.gz GSGFEENEZYCFTD-OISZBXDOSA-N 2 0 335.536 3.233 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001329230899 1389029637 /nfs/dbraw/zinc/02/96/37/1389029637.db2.gz NIHWUSXFZJOWPN-WVKXMFRKSA-N 2 0 349.563 3.432 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001329341554 1389068031 /nfs/dbraw/zinc/06/80/31/1389068031.db2.gz DBIJJAGWGMCUDO-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001698712497 1406354752 /nfs/dbraw/zinc/35/47/52/1406354752.db2.gz WEFGXCFAXZZNTA-GUDVDZBRSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[N@H+](C)CC2=CCCCC2)CC1 ZINC001329587765 1389168439 /nfs/dbraw/zinc/16/84/39/1389168439.db2.gz JDSDKCYXLYPNGL-KRWDZBQOSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329731776 1389210599 /nfs/dbraw/zinc/21/05/99/1389210599.db2.gz OBRVLAJJEUNDKH-OWCLPIDISA-N 2 0 339.524 3.094 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CCC(C)(C)C ZINC001329741103 1389214775 /nfs/dbraw/zinc/21/47/75/1389214775.db2.gz GSFOPXCCJGQWNO-BRWVUGGUSA-N 2 0 348.535 3.412 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCCC1 ZINC001329742061 1389215340 /nfs/dbraw/zinc/21/53/40/1389215340.db2.gz LRYPLSXSPMTTHF-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001329825158 1389232072 /nfs/dbraw/zinc/23/20/72/1389232072.db2.gz NCZDHUGSEDXOEN-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC001329923051 1389260682 /nfs/dbraw/zinc/26/06/82/1389260682.db2.gz HOCVADUEKIJOEO-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC1(C)C[N@H+](CC2CCCCC2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001330261102 1389368670 /nfs/dbraw/zinc/36/86/70/1389368670.db2.gz FVMXUPCWDPTTEN-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001330470929 1389424567 /nfs/dbraw/zinc/42/45/67/1389424567.db2.gz UHNMBTHUHLTRPN-FHWLQOOXSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC2(CC[N@H+](CC3CC(C)(C)C3)C2)CC1 ZINC001698736285 1406387216 /nfs/dbraw/zinc/38/72/16/1406387216.db2.gz WPCDXUCPCLRXMF-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001331068307 1389618021 /nfs/dbraw/zinc/61/80/21/1389618021.db2.gz IDDGNZBNEGCLNA-HKUYNNGSSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001332207658 1390044609 /nfs/dbraw/zinc/04/46/09/1390044609.db2.gz RYDRNQJCCUXZES-QRMWTIMZSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386949 1390103171 /nfs/dbraw/zinc/10/31/71/1390103171.db2.gz IBNPTEDFYOWFHM-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001332389251 1390103613 /nfs/dbraw/zinc/10/36/13/1390103613.db2.gz XRLLEWKEIHQDKW-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001332724174 1390169792 /nfs/dbraw/zinc/16/97/92/1390169792.db2.gz QQGAQRVVOXFZSJ-VANUVFSVSA-N 2 0 337.552 3.242 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332855415 1390201499 /nfs/dbraw/zinc/20/14/99/1390201499.db2.gz CBLCISUSTASZOJ-ZWKOTPCHSA-N 2 0 333.520 3.210 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]C/C=C\Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001332898523 1390212534 /nfs/dbraw/zinc/21/25/34/1390212534.db2.gz IUAZUDYXVKQQSV-YHWKNFMLSA-N 2 0 343.943 3.126 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC2CCCCC2)C1 ZINC001333080855 1390246127 /nfs/dbraw/zinc/24/61/27/1390246127.db2.gz ALGLIBHEJFWMMU-IOJLRTSASA-N 2 0 349.563 3.410 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCC1)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001333155233 1390257867 /nfs/dbraw/zinc/25/78/67/1390257867.db2.gz YJZPYCLEDJVUJG-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP COCn1ncc(C)c1C[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC001347442568 1391075674 /nfs/dbraw/zinc/07/56/74/1391075674.db2.gz QTQQLFJGEAJNHL-UHFFFAOYSA-N 2 0 342.487 3.071 10 0 EGAERP CCC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001698805907 1406487269 /nfs/dbraw/zinc/48/72/69/1406487269.db2.gz ZKEWEPATBWZWTE-VOTSOKGWSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001698807437 1406490692 /nfs/dbraw/zinc/49/06/92/1406490692.db2.gz OEGZCKGLAFGXRY-PLNGDYQASA-N 2 0 335.536 3.093 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)cc1 ZINC001348853119 1391275377 /nfs/dbraw/zinc/27/53/77/1391275377.db2.gz RPVXAHIGKARSFL-VNTMZGSJSA-N 2 0 325.431 3.305 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001698849841 1406551763 /nfs/dbraw/zinc/55/17/63/1406551763.db2.gz WVOROHWBPINCBQ-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)(C)CCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001479488626 1392255090 /nfs/dbraw/zinc/25/50/90/1392255090.db2.gz NPHMKSOKTGRINQ-UEXGIBASSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001479648594 1392306686 /nfs/dbraw/zinc/30/66/86/1392306686.db2.gz UPHISCDGRQTNMR-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001479693735 1392324912 /nfs/dbraw/zinc/32/49/12/1392324912.db2.gz DDFNYLINYKATKQ-ICSRJNTNSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001479730990 1392342868 /nfs/dbraw/zinc/34/28/68/1392342868.db2.gz IHMGLISNLQHBBZ-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001479739446 1392352384 /nfs/dbraw/zinc/35/23/84/1392352384.db2.gz XVYWEGZDNGSQBY-ICSRJNTNSA-N 2 0 345.531 3.402 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479747356 1392364713 /nfs/dbraw/zinc/36/47/13/1392364713.db2.gz ZFQZYYVICURCBL-KAGICYHLSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CC2(CCC2)C1 ZINC001479778678 1392383967 /nfs/dbraw/zinc/38/39/67/1392383967.db2.gz XDLWFCUSZICVRD-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001479904155 1392471248 /nfs/dbraw/zinc/47/12/48/1392471248.db2.gz WKBYQZWRPJXZFH-OKZBNKHCSA-N 2 0 337.552 3.124 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001698859239 1406567859 /nfs/dbraw/zinc/56/78/59/1406567859.db2.gz BQXSCFOHPHOPGK-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001698859235 1406568435 /nfs/dbraw/zinc/56/84/35/1406568435.db2.gz BQXSCFOHPHOPGK-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860226 1406569686 /nfs/dbraw/zinc/56/96/86/1406569686.db2.gz IEVRFVHFGVFQOH-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001480077956 1392567632 /nfs/dbraw/zinc/56/76/32/1392567632.db2.gz QIADAUXGKWUDJY-GUDVDZBRSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CC2CCC3(CC3)CC2)C1 ZINC001480083212 1392573355 /nfs/dbraw/zinc/57/33/55/1392573355.db2.gz AJKWNYLSRGATBY-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480084404 1392573990 /nfs/dbraw/zinc/57/39/90/1392573990.db2.gz IXCMEAXABXTTPC-VQTJNVASSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480084405 1392574211 /nfs/dbraw/zinc/57/42/11/1392574211.db2.gz IXCMEAXABXTTPC-WOJBJXKFSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480155177 1392602902 /nfs/dbraw/zinc/60/29/02/1392602902.db2.gz KOIAZMZFZBTDDS-ZHALLVOQSA-N 2 0 335.536 3.211 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001480220452 1392625609 /nfs/dbraw/zinc/62/56/09/1392625609.db2.gz LQOZBAUUTCUVNG-BGYRXZFFSA-N 2 0 343.515 3.033 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001480267248 1392650978 /nfs/dbraw/zinc/65/09/78/1392650978.db2.gz JKRZHZXEKQXVLY-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001480285971 1392659511 /nfs/dbraw/zinc/65/95/11/1392659511.db2.gz NLKKATSNQPNUSF-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001480307958 1392669775 /nfs/dbraw/zinc/66/97/75/1392669775.db2.gz YBVJUDBCTYEILX-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480346821 1392698509 /nfs/dbraw/zinc/69/85/09/1392698509.db2.gz JSGDFNWEKXHOKD-DSQZMVHQSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001480412194 1392747720 /nfs/dbraw/zinc/74/77/20/1392747720.db2.gz BRIRYSZYXQTWCC-CTWPCTMYSA-N 2 0 337.552 3.170 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480615345 1392820684 /nfs/dbraw/zinc/82/06/84/1392820684.db2.gz HIZBFINHPZYKLF-LXXRFIIISA-N 2 0 349.544 3.360 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709842 1392871969 /nfs/dbraw/zinc/87/19/69/1392871969.db2.gz GWIPMGZUKAESCQ-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742500 1392908625 /nfs/dbraw/zinc/90/86/25/1392908625.db2.gz MKOMXZOTVIJXBQ-HMECNJMJSA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480775276 1392926115 /nfs/dbraw/zinc/92/61/15/1392926115.db2.gz CNNYTIWBZYTADA-AEFFLSMTSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001480813858 1392951178 /nfs/dbraw/zinc/95/11/78/1392951178.db2.gz NAZFKBVQBIINAE-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001480830430 1392970468 /nfs/dbraw/zinc/97/04/68/1392970468.db2.gz VZUIVTMSRJZMET-MOPGFXCFSA-N 2 0 337.552 3.410 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)c1cc(C)ccc1C ZINC001481019343 1393095965 /nfs/dbraw/zinc/09/59/65/1393095965.db2.gz PSFXKVDNYBPFBI-GOSISDBHSA-N 2 0 333.520 3.143 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CC2(CCC2)C1 ZINC001481136580 1393130187 /nfs/dbraw/zinc/13/01/87/1393130187.db2.gz IQLACZPKLJTHMR-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001481173489 1393141498 /nfs/dbraw/zinc/14/14/98/1393141498.db2.gz JUSBCAJEPUTSCC-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001698882625 1406613456 /nfs/dbraw/zinc/61/34/56/1406613456.db2.gz GCDMCWXBXVTQPY-OALUTQOASA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001698923006 1406658009 /nfs/dbraw/zinc/65/80/09/1406658009.db2.gz KIUCBUATLQVEMN-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001481365644 1394204362 /nfs/dbraw/zinc/20/43/62/1394204362.db2.gz RAGCAYQTPLEBIE-UXHICEINSA-N 2 0 345.531 3.210 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC001481389884 1394231051 /nfs/dbraw/zinc/23/10/51/1394231051.db2.gz FRZGZSGOOLMTQH-VNTMZGSJSA-N 2 0 349.563 3.218 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490773045 1394335627 /nfs/dbraw/zinc/33/56/27/1394335627.db2.gz WOQLWEAGJGOVGK-SJORKVTESA-N 2 0 349.494 3.009 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500987 1394346500 /nfs/dbraw/zinc/34/65/00/1394346500.db2.gz VLDAIUGZEJSFAO-XOUUWWQPSA-N 2 0 349.563 3.386 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001490980748 1394390776 /nfs/dbraw/zinc/39/07/76/1394390776.db2.gz GETXTKGWGFCOQU-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001491108509 1394430626 /nfs/dbraw/zinc/43/06/26/1394430626.db2.gz SQGTYUSGECCBAR-CEXWTWQISA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001491226360 1394482633 /nfs/dbraw/zinc/48/26/33/1394482633.db2.gz PZFVXXPKIGAINY-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001491265002 1394496744 /nfs/dbraw/zinc/49/67/44/1394496744.db2.gz SCCZSIFXKBFEFN-RTBURBONSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001481753839 1394498208 /nfs/dbraw/zinc/49/82/08/1394498208.db2.gz YWECAUXWOKYZCM-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856151 1394561709 /nfs/dbraw/zinc/56/17/09/1394561709.db2.gz PHKJPTSLWGVKOI-HKUYNNGSSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1=CCCCC1 ZINC001481883802 1394577864 /nfs/dbraw/zinc/57/78/64/1394577864.db2.gz YXOXSZAXBQBNGN-HXUWFJFHSA-N 2 0 343.515 3.347 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001481910553 1394592022 /nfs/dbraw/zinc/59/20/22/1394592022.db2.gz QWMQMIVVDBLDKG-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1c(C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001482059300 1394720307 /nfs/dbraw/zinc/72/03/07/1394720307.db2.gz RILOUDLVKFXSGC-MRXNPFEDSA-N 2 0 342.487 3.273 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001482238236 1394834694 /nfs/dbraw/zinc/83/46/94/1394834694.db2.gz KRIZCXZUFGJFFZ-UHFFFAOYSA-N 2 0 345.531 3.427 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCCC1 ZINC001482238307 1394834817 /nfs/dbraw/zinc/83/48/17/1394834817.db2.gz NOJLRCMBIMHCNM-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001698965695 1406723809 /nfs/dbraw/zinc/72/38/09/1406723809.db2.gz JKCQDHSPEWXJQE-VQTJNVASSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482395522 1394957126 /nfs/dbraw/zinc/95/71/26/1394957126.db2.gz LPRFDZIDGGMEBZ-HXUWFJFHSA-N 2 0 349.563 3.339 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@]2(CC[NH+](CC3CCCC3)C2)C1)CC(C)(C)C ZINC001483848081 1395114829 /nfs/dbraw/zinc/11/48/29/1395114829.db2.gz MABRXVZAXNCIIR-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1)[NH+](C)C ZINC001483933757 1395150578 /nfs/dbraw/zinc/15/05/78/1395150578.db2.gz GNQOFUQYENRVRS-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001484046841 1395211758 /nfs/dbraw/zinc/21/17/58/1395211758.db2.gz AIQJWRHGNZSNSW-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CCCCCC1 ZINC001698976782 1406746654 /nfs/dbraw/zinc/74/66/54/1406746654.db2.gz BCJDAKZRSZKPBT-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072192 1395234224 /nfs/dbraw/zinc/23/42/24/1395234224.db2.gz RPFNKWMKPZMQPW-DNVCBOLYSA-N 2 0 349.906 3.077 10 0 EGAERP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072196 1395234787 /nfs/dbraw/zinc/23/47/87/1395234787.db2.gz RPFNKWMKPZMQPW-HNAYVOBHSA-N 2 0 349.906 3.077 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001484522980 1395415814 /nfs/dbraw/zinc/41/58/14/1395415814.db2.gz NMIHLJIEGMIOBW-MRXNPFEDSA-N 2 0 349.544 3.052 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001484561952 1395447566 /nfs/dbraw/zinc/44/75/66/1395447566.db2.gz UDPBHJSQHIADJT-MRXNPFEDSA-N 2 0 331.504 3.095 10 0 EGAERP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001484562828 1395448404 /nfs/dbraw/zinc/44/84/04/1395448404.db2.gz HERFILQSNKLVSK-WMZOPIPTSA-N 2 0 331.504 3.095 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001484728121 1395492297 /nfs/dbraw/zinc/49/22/97/1395492297.db2.gz JWUUFXLQBHYMDS-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H](c1ccc(Cl)cc1)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001484757617 1395508994 /nfs/dbraw/zinc/50/89/94/1395508994.db2.gz OXQQMFHPPMTUEA-OAHLLOKOSA-N 2 0 339.911 3.133 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484886418 1395585084 /nfs/dbraw/zinc/58/50/84/1395585084.db2.gz COIPXPQSSLRNTJ-ZGKJDNBHSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001485161188 1395676760 /nfs/dbraw/zinc/67/67/60/1395676760.db2.gz AUIZTCFYKFSXKK-ROUUACIJSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001485227108 1395721786 /nfs/dbraw/zinc/72/17/86/1395721786.db2.gz VAISQQOVYFYLTD-ROUUACIJSA-N 2 0 335.536 3.236 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001485238658 1395731229 /nfs/dbraw/zinc/73/12/29/1395731229.db2.gz JEZGOTZTSAIDCK-SREVYHEPSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[NH+]1CCC(C)(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001716797530 1420930236 /nfs/dbraw/zinc/93/02/36/1420930236.db2.gz ZNRWVDHFIISTIX-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304367 1395782435 /nfs/dbraw/zinc/78/24/35/1395782435.db2.gz VTKMIPOKIXINDA-ASIGSXEYSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCCC1 ZINC001485456958 1395927515 /nfs/dbraw/zinc/92/75/15/1395927515.db2.gz FDFMQXGTTMGQTI-MOPGFXCFSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001485583134 1396058114 /nfs/dbraw/zinc/05/81/14/1396058114.db2.gz YMXHEPHBCSLQEK-IAGOWNOFSA-N 2 0 339.568 3.226 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001485703214 1396109158 /nfs/dbraw/zinc/10/91/58/1396109158.db2.gz SULYSCGHGFBFLA-SOAMZJECSA-N 2 0 345.531 3.127 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C\Cl ZINC001485789873 1396154579 /nfs/dbraw/zinc/15/45/79/1396154579.db2.gz BHJJNKQPXGDFJR-WHDWIBAWSA-N 2 0 343.943 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/c1ccccc1 ZINC001499955681 1396185334 /nfs/dbraw/zinc/18/53/34/1396185334.db2.gz WMQYTWGIXRZNJR-ACGJQVIASA-N 2 0 343.515 3.011 10 0 EGAERP CCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001486236012 1396186229 /nfs/dbraw/zinc/18/62/29/1396186229.db2.gz KVWDLLVXBKKSFA-KRWDZBQOSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001501392143 1396193772 /nfs/dbraw/zinc/19/37/72/1396193772.db2.gz WFVSEZVDYNQXGN-IWHMKIPHSA-N 2 0 347.547 3.282 10 0 EGAERP CCCCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001502653664 1396214078 /nfs/dbraw/zinc/21/40/78/1396214078.db2.gz MYBSARSWUJIOQQ-UHFFFAOYSA-N 2 0 343.515 3.295 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)CC1 ZINC001503764904 1396268624 /nfs/dbraw/zinc/26/86/24/1396268624.db2.gz XDRDWRHJCZJAIW-IHHMQQGQSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001492129632 1396306491 /nfs/dbraw/zinc/30/64/91/1396306491.db2.gz ROZZHMFEHMFICN-AZUAARDMSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492156657 1396309422 /nfs/dbraw/zinc/30/94/22/1396309422.db2.gz IBKRDQLQABRETL-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492158333 1396309611 /nfs/dbraw/zinc/30/96/11/1396309611.db2.gz PXZPWAJHZZTUPW-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CCn1ccnc1 ZINC001492162807 1396310247 /nfs/dbraw/zinc/31/02/47/1396310247.db2.gz BARCWVDUZSWZRA-KRWDZBQOSA-N 2 0 334.508 3.070 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC(C)(C)C)CC[N@@H+]1C ZINC001493130577 1396336901 /nfs/dbraw/zinc/33/69/01/1396336901.db2.gz WVTUBEYUPISTPQ-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001493668694 1396341108 /nfs/dbraw/zinc/34/11/08/1396341108.db2.gz IFRXURLKAABLRM-FHWLQOOXSA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494134301 1396377578 /nfs/dbraw/zinc/37/75/78/1396377578.db2.gz YDRKSAFKLFSQAY-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001494877576 1396505750 /nfs/dbraw/zinc/50/57/50/1396505750.db2.gz VPKOIQASQZCSLN-FQEVSTJZSA-N 2 0 347.547 3.286 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001495458082 1396536019 /nfs/dbraw/zinc/53/60/19/1396536019.db2.gz MKINJZFJDMTINR-BZSNNMDCSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001495953256 1396576712 /nfs/dbraw/zinc/57/67/12/1396576712.db2.gz UXSHMHIIAOGDGI-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496126111 1396606948 /nfs/dbraw/zinc/60/69/48/1396606948.db2.gz BCINKMDNKBAUBE-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)CC1 ZINC001496415247 1396698436 /nfs/dbraw/zinc/69/84/36/1396698436.db2.gz OHJRHNQCFFQMGH-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCCC(C)(C)C)[NH+]1CCCC1 ZINC001699011226 1406841721 /nfs/dbraw/zinc/84/17/21/1406841721.db2.gz RRCFIBLSDBFYBP-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C)C1 ZINC001497255903 1396739359 /nfs/dbraw/zinc/73/93/59/1396739359.db2.gz OFNDRVMTAKNFQB-IAGOWNOFSA-N 2 0 325.541 3.029 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497406469 1396756554 /nfs/dbraw/zinc/75/65/54/1396756554.db2.gz MOMCEBMQJIJHLN-ICSRJNTNSA-N 2 0 347.547 3.389 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1=CCCCC1 ZINC001497690546 1396785429 /nfs/dbraw/zinc/78/54/29/1396785429.db2.gz GWTLCQOFXHGDNL-UCFODXPJSA-N 2 0 333.520 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC2CCCCCC2)C1 ZINC001497885337 1396871140 /nfs/dbraw/zinc/87/11/40/1396871140.db2.gz PDULEOKEUJQMKI-MJGOQNOKSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001498377507 1396980073 /nfs/dbraw/zinc/98/00/73/1396980073.db2.gz ZTRBIUFPGZAPGH-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001498454991 1397001272 /nfs/dbraw/zinc/00/12/72/1397001272.db2.gz HBCQHTNFBMWTBK-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001689270230 1397001996 /nfs/dbraw/zinc/00/19/96/1397001996.db2.gz KCGGLOQDTZSYIM-SGSXCFNPSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CCCC(C)(C)C ZINC001689353337 1403684480 /nfs/dbraw/zinc/68/44/80/1403684480.db2.gz DTVSALFNBDQGHU-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC(C)(C)C1 ZINC001689365200 1403703935 /nfs/dbraw/zinc/70/39/35/1403703935.db2.gz AOGCBVDOZKOOPU-IBGZPJMESA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001689802015 1404143453 /nfs/dbraw/zinc/14/34/53/1404143453.db2.gz JNEOECKAMZKZQJ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001689807676 1404148120 /nfs/dbraw/zinc/14/81/20/1404148120.db2.gz DRMXECQAOBZGQH-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccc(C[NH+]2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001690030809 1404269622 /nfs/dbraw/zinc/26/96/22/1404269622.db2.gz KGTBZCJGCRNXAT-UHFFFAOYSA-N 2 0 345.531 3.066 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154362 1404353434 /nfs/dbraw/zinc/35/34/34/1404353434.db2.gz ZBGUOEJPLLMIMG-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170850 1404368862 /nfs/dbraw/zinc/36/88/62/1404368862.db2.gz BRBSEGCUXNKQMY-RBUKOAKNSA-N 2 0 349.563 3.170 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH+](C)CCC2CC2)C1 ZINC001690191742 1404396010 /nfs/dbraw/zinc/39/60/10/1404396010.db2.gz ZGTHBCZIVZUKLH-WOJBJXKFSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC)CC[C@@H]21 ZINC001690318443 1404476510 /nfs/dbraw/zinc/47/65/10/1404476510.db2.gz UAUHVFCVTXKKTL-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690342070 1404484811 /nfs/dbraw/zinc/48/48/11/1404484811.db2.gz YTCYMVBIYUQLCF-NSHGMRRFSA-N 2 0 347.547 3.211 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001690345251 1404485541 /nfs/dbraw/zinc/48/55/41/1404485541.db2.gz MXTPLRJHNSDYCQ-KSZLIROESA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001690541631 1404627257 /nfs/dbraw/zinc/62/72/57/1404627257.db2.gz JDLSRXVMWDEMMR-VIQWUECVSA-N 2 0 335.536 3.234 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757185 1404711395 /nfs/dbraw/zinc/71/13/95/1404711395.db2.gz CHQNBZIIRXOVRT-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690785510 1404733174 /nfs/dbraw/zinc/73/31/74/1404733174.db2.gz UXCNGRAKKSXLQV-RBUKOAKNSA-N 2 0 335.536 3.090 10 0 EGAERP C[C@H](CCNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CC1CCC(C)CC1 ZINC001690872233 1404788188 /nfs/dbraw/zinc/78/81/88/1404788188.db2.gz RQNAMOVOPMWEKJ-CUYAVPTFSA-N 2 0 337.552 3.029 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001690897587 1404807447 /nfs/dbraw/zinc/80/74/47/1404807447.db2.gz YIHXEQCMUQWDJF-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732001002 1428211418 /nfs/dbraw/zinc/21/14/18/1428211418.db2.gz PNTXHRCUXROIHB-IRXDYDNUSA-N 2 0 339.568 3.227 10 0 EGAERP C[NH+](C)CCC(=O)NCC[N@H+](C)Cc1ccc(C2CCCCC2)cc1 ZINC001690973580 1404883387 /nfs/dbraw/zinc/88/33/87/1404883387.db2.gz MDBRCKAPTMQBLK-UHFFFAOYSA-N 2 0 345.531 3.234 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725407764 1426052178 /nfs/dbraw/zinc/05/21/78/1426052178.db2.gz RNHKDBBAKGCYQO-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CC/C=C\c1ccccc1 ZINC001690998575 1404914864 /nfs/dbraw/zinc/91/48/64/1404914864.db2.gz NDBKOYDOTYXWRI-DVYMXEPTSA-N 2 0 343.515 3.011 10 0 EGAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001691037100 1404945620 /nfs/dbraw/zinc/94/56/20/1404945620.db2.gz CBOARUPBQHFPJP-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001691038395 1404948845 /nfs/dbraw/zinc/94/88/45/1404948845.db2.gz GOAHCKAHWZSASV-QGZVFWFLSA-N 2 0 347.547 3.435 10 0 EGAERP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001691062629 1404987332 /nfs/dbraw/zinc/98/73/32/1404987332.db2.gz UNJDIHHMHXOXBE-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691170950 1405106270 /nfs/dbraw/zinc/10/62/70/1405106270.db2.gz KLCHICJPDDNWOX-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001691171454 1405106852 /nfs/dbraw/zinc/10/68/52/1405106852.db2.gz UIBFVKGVWZLAPH-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP O=C(NCC[N@H+](CCC1=CCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001691215391 1405155093 /nfs/dbraw/zinc/15/50/93/1405155093.db2.gz PTKURCXDHWNQKK-UHFFFAOYSA-N 2 0 345.531 3.086 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](CC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001691236324 1405176221 /nfs/dbraw/zinc/17/62/21/1405176221.db2.gz ABCPOVCUNNSXPJ-FQEVSTJZSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001691302270 1405197823 /nfs/dbraw/zinc/19/78/23/1405197823.db2.gz VJPTVJNEFHFJEC-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001691306532 1405200385 /nfs/dbraw/zinc/20/03/85/1405200385.db2.gz VDKVKLMRKHCADS-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001691496043 1405302995 /nfs/dbraw/zinc/30/29/95/1405302995.db2.gz IPJIBOXZDNRBIX-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1cccc(C)c1 ZINC001691510614 1405311975 /nfs/dbraw/zinc/31/19/75/1405311975.db2.gz OJQMILZZTDDLLE-ZCNNSNEGSA-N 2 0 345.531 3.050 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001691534147 1405327140 /nfs/dbraw/zinc/32/71/40/1405327140.db2.gz SQDJHDDSPQZLPZ-MISYRCLQSA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001691692017 1405426390 /nfs/dbraw/zinc/42/63/90/1405426390.db2.gz IJQFEGBOMDNFCR-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001691728337 1405451989 /nfs/dbraw/zinc/45/19/89/1405451989.db2.gz QGKMKEIYXXOXAA-MSOLQXFVSA-N 2 0 339.568 3.227 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001691792261 1405501975 /nfs/dbraw/zinc/50/19/75/1405501975.db2.gz MHHWDRLNOALHIZ-UVEXCMSLSA-N 2 0 343.515 3.274 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001691913526 1405639381 /nfs/dbraw/zinc/63/93/81/1405639381.db2.gz QSGYZZGMIBOGLE-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001691965802 1405682833 /nfs/dbraw/zinc/68/28/33/1405682833.db2.gz UWJFTQJYGBPRLA-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001691999588 1405714948 /nfs/dbraw/zinc/71/49/48/1405714948.db2.gz UDVUKFUFUQRDLE-HXUWFJFHSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C[NH2+]CC2CCCC2)C1 ZINC001692097994 1405770446 /nfs/dbraw/zinc/77/04/46/1405770446.db2.gz SREXXCHUFGICDC-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[N@H+]1CC(C)C ZINC001731749050 1427842213 /nfs/dbraw/zinc/84/22/13/1427842213.db2.gz HHERUMYVMJADSH-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692129424 1405787779 /nfs/dbraw/zinc/78/77/79/1405787779.db2.gz UEJWAMOEZAFPLV-XOIGSVRCSA-N 2 0 335.536 3.045 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001692132226 1405789428 /nfs/dbraw/zinc/78/94/28/1405789428.db2.gz RVTXYMXAQOJRAZ-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001692236597 1405862875 /nfs/dbraw/zinc/86/28/75/1405862875.db2.gz HPZNGHHFOHSSEE-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCCCF)CC(C)(C)C1 ZINC001692279763 1405913558 /nfs/dbraw/zinc/91/35/58/1405913558.db2.gz JVKVVARYUSTDQX-QGZVFWFLSA-N 2 0 343.531 3.073 10 0 EGAERP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001692280206 1405914503 /nfs/dbraw/zinc/91/45/03/1405914503.db2.gz RECSIAHMUNGGNO-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CC1 ZINC001732008991 1428221424 /nfs/dbraw/zinc/22/14/24/1428221424.db2.gz GDQPTHNIUIEVME-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCCC(C)(C)C ZINC001698601607 1406227510 /nfs/dbraw/zinc/22/75/10/1406227510.db2.gz RNPHYMDRVVPCFK-YESZJQIVSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)CCC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001732022832 1428240402 /nfs/dbraw/zinc/24/04/02/1428240402.db2.gz LVRHTSFOLIIDDT-MISYRCLQSA-N 2 0 345.531 3.210 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001732038500 1428263040 /nfs/dbraw/zinc/26/30/40/1428263040.db2.gz HNKGDQFTJPUNOH-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732078483 1428331004 /nfs/dbraw/zinc/33/10/04/1428331004.db2.gz RNSMBZKFQJKZNM-LJQANCHMSA-N 2 0 345.531 3.188 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001732080943 1428334574 /nfs/dbraw/zinc/33/45/74/1428334574.db2.gz NDPLLYSUCIWNQO-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001732091206 1428357430 /nfs/dbraw/zinc/35/74/30/1428357430.db2.gz AGHXKXUEBCENFR-CMKODMSKSA-N 2 0 345.531 3.285 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001732230884 1428477862 /nfs/dbraw/zinc/47/78/62/1428477862.db2.gz MCWTZFNYHUFPNO-ZWKOTPCHSA-N 2 0 335.536 3.212 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001732231493 1428478250 /nfs/dbraw/zinc/47/82/50/1428478250.db2.gz QLTIQMQEEAFMIY-FPXQDXNASA-N 2 0 347.547 3.378 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC001732235967 1428482148 /nfs/dbraw/zinc/48/21/48/1428482148.db2.gz LDESDGDSXIBOOS-IBGZPJMESA-N 2 0 341.515 3.018 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001732247752 1428491033 /nfs/dbraw/zinc/49/10/33/1428491033.db2.gz LSTDZCRFUJOVNR-DYESRHJHSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001732282809 1428513417 /nfs/dbraw/zinc/51/34/17/1428513417.db2.gz VUSQVAWAAAKYAZ-RBUKOAKNSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001732307766 1428522587 /nfs/dbraw/zinc/52/25/87/1428522587.db2.gz MCQXDHPUSWWDJO-KZNAEPCWSA-N 2 0 341.515 3.016 10 0 EGAERP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001732317081 1428527889 /nfs/dbraw/zinc/52/78/89/1428527889.db2.gz NHJCQNIIYITSSL-KRWDZBQOSA-N 2 0 345.531 3.170 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001732389208 1428559219 /nfs/dbraw/zinc/55/92/19/1428559219.db2.gz RLKVXSSULLUPGL-SFHVURJKSA-N 2 0 347.547 3.070 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CC3CCCCCC3)CCCC2)C1 ZINC001732399969 1428565989 /nfs/dbraw/zinc/56/59/89/1428565989.db2.gz RSHRGCSJWLKABC-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732418524 1428573367 /nfs/dbraw/zinc/57/33/67/1428573367.db2.gz GGUNDBIJIZOJRH-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732420099 1428574033 /nfs/dbraw/zinc/57/40/33/1428574033.db2.gz SEXGAPSUYFWQNJ-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCCCC1 ZINC001732478376 1428604203 /nfs/dbraw/zinc/60/42/03/1428604203.db2.gz UHLWIBGUIZIBNK-PXNSSMCTSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CC2=CCCCC2)CC1 ZINC001732516213 1428635216 /nfs/dbraw/zinc/63/52/16/1428635216.db2.gz XJGBLWCBFUSIQR-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC001732520082 1428638885 /nfs/dbraw/zinc/63/88/85/1428638885.db2.gz XOXUMOHWIJTFPD-GOSISDBHSA-N 2 0 349.494 3.028 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001699198446 1412568381 /nfs/dbraw/zinc/56/83/81/1412568381.db2.gz IJVKVDJBDVHWPW-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699302967 1412625240 /nfs/dbraw/zinc/62/52/40/1412625240.db2.gz RFLOMLXNJACECH-IHHMQQGQSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001699387945 1412700716 /nfs/dbraw/zinc/70/07/16/1412700716.db2.gz KWLDUGHUWNESKM-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001699388721 1412701311 /nfs/dbraw/zinc/70/13/11/1412701311.db2.gz WVXXEXYJGPRXBO-GOSISDBHSA-N 2 0 337.552 3.317 10 0 EGAERP C[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)CCCC[NH+]1CCCC1 ZINC001699391496 1412706217 /nfs/dbraw/zinc/70/62/17/1412706217.db2.gz NYBNLVHYGUSJEC-XLIONFOSSA-N 2 0 343.515 3.034 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001699396784 1412711616 /nfs/dbraw/zinc/71/16/16/1412711616.db2.gz KXCNKKJFCNXGLM-QZTJIDSGSA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001699409649 1412723515 /nfs/dbraw/zinc/72/35/15/1412723515.db2.gz UFIDDVIOZUETQD-PXNSSMCTSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001699456524 1412801412 /nfs/dbraw/zinc/80/14/12/1412801412.db2.gz XTRWSQWPMJLGNU-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001699483735 1412878786 /nfs/dbraw/zinc/87/87/86/1412878786.db2.gz OIMVJAPSGRWXKW-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001699515599 1412900478 /nfs/dbraw/zinc/90/04/78/1412900478.db2.gz DEDVABYYNJXMRP-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001699629908 1412999519 /nfs/dbraw/zinc/99/95/19/1412999519.db2.gz XTBPSDGCBGKJOK-INIZCTEOSA-N 2 0 328.460 3.027 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001699675322 1413068633 /nfs/dbraw/zinc/06/86/33/1413068633.db2.gz HQSXXJNLIPNECC-IBGZPJMESA-N 2 0 343.515 3.252 10 0 EGAERP CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001699680366 1413074725 /nfs/dbraw/zinc/07/47/25/1413074725.db2.gz NVILNNVNAIDAJG-LVCYASSMSA-N 2 0 347.547 3.330 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](C)C ZINC001699684332 1413080212 /nfs/dbraw/zinc/08/02/12/1413080212.db2.gz RIPKCOGARLNTKP-VXARMHRZSA-N 2 0 335.536 3.138 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001699698261 1413109726 /nfs/dbraw/zinc/10/97/26/1413109726.db2.gz ZCXMZGOZJGXQAK-NRFANRHFSA-N 2 0 349.563 3.367 10 0 EGAERP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001699719231 1413132201 /nfs/dbraw/zinc/13/22/01/1413132201.db2.gz YHUDURIUQJFYMZ-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001699767312 1413172403 /nfs/dbraw/zinc/17/24/03/1413172403.db2.gz PIIQESXXQTXSGY-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699819015 1413238205 /nfs/dbraw/zinc/23/82/05/1413238205.db2.gz QBQZRHWOKJLVEY-PRPIBZDOSA-N 2 0 340.471 3.193 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001699847919 1413277270 /nfs/dbraw/zinc/27/72/70/1413277270.db2.gz ZSAXNCHOCKUKJT-FQEVSTJZSA-N 2 0 339.568 3.229 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001699877065 1413337458 /nfs/dbraw/zinc/33/74/58/1413337458.db2.gz PKWHCNROGFPQST-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001700068952 1413484550 /nfs/dbraw/zinc/48/45/50/1413484550.db2.gz IQDYCZWXHGWVGB-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC3CCCC3)C2)CC1 ZINC001700082086 1413495426 /nfs/dbraw/zinc/49/54/26/1413495426.db2.gz VJKDVNMVJMMBSF-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH+]1CCC2(CN(C(=O)[C@@H](c3ccccc3)[N@H+](C)CC)C2)CC1 ZINC001700109708 1413529755 /nfs/dbraw/zinc/52/97/55/1413529755.db2.gz VGIZHRZWFWLJTM-LJQANCHMSA-N 2 0 343.515 3.014 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CCCC3)CCC2)C1 ZINC001700142453 1413564373 /nfs/dbraw/zinc/56/43/73/1413564373.db2.gz WSOMRXLWVRUREH-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CCC1 ZINC001700143452 1413566753 /nfs/dbraw/zinc/56/67/53/1413566753.db2.gz UUFLQOQZPVGBMG-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH+](C)CC1=CCCCC1 ZINC001700195477 1413634641 /nfs/dbraw/zinc/63/46/41/1413634641.db2.gz NXYABTCXFYLTIX-HDICACEKSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001700196230 1413636955 /nfs/dbraw/zinc/63/69/55/1413636955.db2.gz BHLRPNCXLVYZHX-RLLQIKCJSA-N 2 0 349.563 3.218 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001700264786 1413711460 /nfs/dbraw/zinc/71/14/60/1413711460.db2.gz ZXOVHHJZEOLQDY-WMZOPIPTSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001732560897 1428751013 /nfs/dbraw/zinc/75/10/13/1428751013.db2.gz NSVPJMNETSRZHO-SFHVURJKSA-N 2 0 337.552 3.336 10 0 EGAERP CC/C=C\CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700372985 1413901086 /nfs/dbraw/zinc/90/10/86/1413901086.db2.gz BQHNFRLBHPUKEF-WAYWQWQTSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1)CC(C)(C)C ZINC001700399083 1413932621 /nfs/dbraw/zinc/93/26/21/1413932621.db2.gz XDCAQTDNOVRPRL-UHFFFAOYSA-N 2 0 339.568 3.275 10 0 EGAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001700421481 1413972082 /nfs/dbraw/zinc/97/20/82/1413972082.db2.gz JNJIVOYIKYMQCN-CVEARBPZSA-N 2 0 349.563 3.027 10 0 EGAERP Cc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001700465570 1414071286 /nfs/dbraw/zinc/07/12/86/1414071286.db2.gz GKCCKRAEJXVDML-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001700488261 1414138075 /nfs/dbraw/zinc/13/80/75/1414138075.db2.gz ULESUOBNKGFOTD-QGZVFWFLSA-N 2 0 347.547 3.261 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC1 ZINC001700499895 1414146977 /nfs/dbraw/zinc/14/69/77/1414146977.db2.gz MPHYIDCHCLQOQL-OALUTQOASA-N 2 0 337.552 3.122 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001700548833 1414218181 /nfs/dbraw/zinc/21/81/81/1414218181.db2.gz DLEQKALVHGKEAD-TYLRKXQCSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)C1 ZINC001700645237 1414310455 /nfs/dbraw/zinc/31/04/55/1414310455.db2.gz CMYMKVPNJKOCIW-FCGDIQPGSA-N 2 0 337.552 3.027 10 0 EGAERP CC1CCC(C[N@H+](C)CCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001732585515 1428798334 /nfs/dbraw/zinc/79/83/34/1428798334.db2.gz QLHPPCAYQIJORO-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700665333 1414324280 /nfs/dbraw/zinc/32/42/80/1414324280.db2.gz JFDPNUIUYDLMCQ-OAHLLOKOSA-N 2 0 328.460 3.097 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1F ZINC001700766473 1414441928 /nfs/dbraw/zinc/44/19/28/1414441928.db2.gz GDPCIYKGIAFLBB-QFBILLFUSA-N 2 0 349.494 3.025 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767759 1414444107 /nfs/dbraw/zinc/44/41/07/1414444107.db2.gz LBJVTRXIWTXHAS-VQIMIIECSA-N 2 0 349.494 3.025 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700853572 1414500726 /nfs/dbraw/zinc/50/07/26/1414500726.db2.gz KEVHFRFVDADFMQ-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](CC)CC)o2)C1 ZINC001700853918 1414501335 /nfs/dbraw/zinc/50/13/35/1414501335.db2.gz OFJVQOMOVMNGGQ-HOTGVXAUSA-N 2 0 335.492 3.114 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001700866542 1414518475 /nfs/dbraw/zinc/51/84/75/1414518475.db2.gz YLDJCISAUSCLOH-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001700867251 1414519730 /nfs/dbraw/zinc/51/97/30/1414519730.db2.gz QIRNGXGYWWEJJX-ICSRJNTNSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@@]34CC[NH+](C3)CCC4)CCC[C@@H]12 ZINC001700869568 1414522866 /nfs/dbraw/zinc/52/28/66/1414522866.db2.gz VSBHKZYFMZGZNO-GIVPXCGWSA-N 2 0 347.547 3.166 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC001700873589 1414527422 /nfs/dbraw/zinc/52/74/22/1414527422.db2.gz NJMSXEQODKNHHX-SLFFLAALSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)[C@H]1C ZINC001700884309 1414542359 /nfs/dbraw/zinc/54/23/59/1414542359.db2.gz CVVGPQMBKOZNDN-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001700922693 1414575009 /nfs/dbraw/zinc/57/50/09/1414575009.db2.gz DDESRFBGKBJCHH-QZTJIDSGSA-N 2 0 335.536 3.042 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001700986140 1414628150 /nfs/dbraw/zinc/62/81/50/1414628150.db2.gz ADGCVPMJCYLCJV-IRXDYDNUSA-N 2 0 337.552 3.027 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001700985987 1414628260 /nfs/dbraw/zinc/62/82/60/1414628260.db2.gz WZVHITOFGFRRCK-RCCFBDPRSA-N 2 0 339.568 3.273 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C)[NH+](C)C ZINC001700998193 1414648026 /nfs/dbraw/zinc/64/80/26/1414648026.db2.gz MNBMYGZDMMHANV-ZWKOTPCHSA-N 2 0 339.568 3.273 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001701001864 1414655545 /nfs/dbraw/zinc/65/55/45/1414655545.db2.gz UKXNFBNGZQMQRI-OALUTQOASA-N 2 0 345.531 3.182 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001701010394 1414668707 /nfs/dbraw/zinc/66/87/07/1414668707.db2.gz YREJADBGZHFKLF-OYCQEXPWSA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001701025288 1414686803 /nfs/dbraw/zinc/68/68/03/1414686803.db2.gz FLQRAAXLZWVEPV-VOTSOKGWSA-N 2 0 343.515 3.297 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001701025698 1414687580 /nfs/dbraw/zinc/68/75/80/1414687580.db2.gz ZGLVCTFJWYOLAJ-LMDPOFIKSA-N 2 0 345.531 3.367 10 0 EGAERP C[C@@H](c1ccccc1Cl)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056799 1414712935 /nfs/dbraw/zinc/71/29/35/1414712935.db2.gz TXEVNRRGSTZNML-HNNXBMFYSA-N 2 0 349.906 3.101 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001732604238 1428857637 /nfs/dbraw/zinc/85/76/37/1428857637.db2.gz LZFYORCOJPTREU-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001732621933 1428885264 /nfs/dbraw/zinc/88/52/64/1428885264.db2.gz HNVMXOVAFKURKS-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001732852566 1429010039 /nfs/dbraw/zinc/01/00/39/1429010039.db2.gz SBLHNLWQNQNSGT-UEKDZROGSA-N 2 0 349.563 3.338 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001732915389 1429046309 /nfs/dbraw/zinc/04/63/09/1429046309.db2.gz USOCUYFHQZDTRP-VZSQWMKGSA-N 2 0 343.515 3.050 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001732941932 1429066110 /nfs/dbraw/zinc/06/61/10/1429066110.db2.gz HYQISBWNJPONJP-MJIPRMEISA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001733003371 1429124094 /nfs/dbraw/zinc/12/40/94/1429124094.db2.gz UOTXYKGQAVWOOI-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001733028473 1429148209 /nfs/dbraw/zinc/14/82/09/1429148209.db2.gz ZRNHSUOPQADMMK-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001733035863 1429161102 /nfs/dbraw/zinc/16/11/02/1429161102.db2.gz OUILUADHECNVPM-KOXHKMTQSA-N 2 0 343.515 3.011 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001707063846 1417179299 /nfs/dbraw/zinc/17/92/99/1417179299.db2.gz CAMCQXKLKYOMOC-HSALFYBXSA-N 2 0 349.563 3.316 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001707121514 1417209722 /nfs/dbraw/zinc/20/97/22/1417209722.db2.gz CYAYNEKSLJZUOT-IPMKNSEASA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001707161795 1417225583 /nfs/dbraw/zinc/22/55/83/1417225583.db2.gz RTIHASLWKKFFFV-HOJAQTOUSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCC1CCCC1 ZINC001707194398 1417239980 /nfs/dbraw/zinc/23/99/80/1417239980.db2.gz CNBMRGWFUJKECR-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001707201954 1417242957 /nfs/dbraw/zinc/24/29/57/1417242957.db2.gz WEZFZAZJZGWVPT-OYQYDDJWSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001707205286 1417244293 /nfs/dbraw/zinc/24/42/93/1417244293.db2.gz VXOUNOMVLHKCST-XUVXKRRUSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707279108 1417286429 /nfs/dbraw/zinc/28/64/29/1417286429.db2.gz WJCWZJREDAYIEP-MJGOQNOKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001707280083 1417288931 /nfs/dbraw/zinc/28/89/31/1417288931.db2.gz IERYUNLXPXFKPS-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)CC(C)(C)C1 ZINC001707281795 1417292240 /nfs/dbraw/zinc/29/22/40/1417292240.db2.gz RHFPSQJNLLDSCG-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001707282464 1417293138 /nfs/dbraw/zinc/29/31/38/1417293138.db2.gz XUGPJYAISYPJSC-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001707282466 1417293329 /nfs/dbraw/zinc/29/33/29/1417293329.db2.gz XUGPJYAISYPJSC-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CCc1ccc(C[N@H+](CC)CCCNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001707457511 1417360083 /nfs/dbraw/zinc/36/00/83/1417360083.db2.gz OMQIKBMZRVBBNL-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CCC2=CCCCC2)CC1 ZINC001712978292 1417531637 /nfs/dbraw/zinc/53/16/37/1417531637.db2.gz BHGNBHZOGJNYTI-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001712998947 1417550762 /nfs/dbraw/zinc/55/07/62/1417550762.db2.gz IPUCONDOUBBGQN-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@H](C)c1cc(C)ccc1C ZINC001713030093 1417581632 /nfs/dbraw/zinc/58/16/32/1417581632.db2.gz UTLKUHIBHQJCKM-LJQANCHMSA-N 2 0 345.531 3.288 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713094494 1417642965 /nfs/dbraw/zinc/64/29/65/1417642965.db2.gz HETYCJVQFLNHRG-RTUSNTFBSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001713108555 1417669397 /nfs/dbraw/zinc/66/93/97/1417669397.db2.gz MMEIROLVEPLXFD-AZUAARDMSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001713111736 1417673931 /nfs/dbraw/zinc/67/39/31/1417673931.db2.gz LWXCEBTZKLKYSS-PHWHVTFISA-N 2 0 340.471 3.097 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713132985 1417708415 /nfs/dbraw/zinc/70/84/15/1417708415.db2.gz KLNLPTCDYHRYHC-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713193935 1417766091 /nfs/dbraw/zinc/76/60/91/1417766091.db2.gz PLLDBXUZXQHRFR-ZIFCJYIRSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001713203189 1417774102 /nfs/dbraw/zinc/77/41/02/1417774102.db2.gz CIRNVYRJWXHJHZ-XWTMOSNGSA-N 2 0 335.536 3.066 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2=CCCCC2)CCC1 ZINC001713253162 1417846206 /nfs/dbraw/zinc/84/62/06/1417846206.db2.gz ORLLYZJFNIFFPC-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001733063637 1429215690 /nfs/dbraw/zinc/21/56/90/1429215690.db2.gz XNIABJMGHPJUNL-ZWKOTPCHSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001713294435 1417921854 /nfs/dbraw/zinc/92/18/54/1417921854.db2.gz ZMDWIZPUMDOGBI-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001713311800 1417935949 /nfs/dbraw/zinc/93/59/49/1417935949.db2.gz YQJKXVFGYOLVJS-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713346720 1417966950 /nfs/dbraw/zinc/96/69/50/1417966950.db2.gz WVRHRMOWAWSONH-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001713352913 1417970942 /nfs/dbraw/zinc/97/09/42/1417970942.db2.gz HZYNOQMRGSFULK-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713356747 1417973432 /nfs/dbraw/zinc/97/34/32/1417973432.db2.gz KLYOYPLXGRLUDP-LSLCWXNRSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001713438693 1418071178 /nfs/dbraw/zinc/07/11/78/1418071178.db2.gz IKLKKIZYWKLFTQ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)CC1CC2(CCC2)C1 ZINC001713488183 1418183919 /nfs/dbraw/zinc/18/39/19/1418183919.db2.gz SCTFXOCLCJYAFG-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001733127894 1429254048 /nfs/dbraw/zinc/25/40/48/1429254048.db2.gz CQRHVGKZTFLYKT-HKUYNNGSSA-N 2 0 333.520 3.143 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001713641548 1418407876 /nfs/dbraw/zinc/40/78/76/1418407876.db2.gz RSEYKWUKEDQHEA-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP CN(CCC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733131422 1429256074 /nfs/dbraw/zinc/25/60/74/1429256074.db2.gz SRJCSUNJGKQCIG-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001713664444 1418421940 /nfs/dbraw/zinc/42/19/40/1418421940.db2.gz SZLBUQVIHXORMR-KRWDZBQOSA-N 2 0 331.504 3.015 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001713680588 1418432315 /nfs/dbraw/zinc/43/23/15/1418432315.db2.gz OTAIIGFCQNNLNE-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001713681780 1418433641 /nfs/dbraw/zinc/43/36/41/1418433641.db2.gz MTNAEIRUOCTHSG-FXAWDEMLSA-N 2 0 349.563 3.266 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001713719761 1418490515 /nfs/dbraw/zinc/49/05/15/1418490515.db2.gz HDGNJULBUHSUFS-PKOBYXMFSA-N 2 0 337.552 3.077 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001713785249 1418601608 /nfs/dbraw/zinc/60/16/08/1418601608.db2.gz AUTWKCDNSSAABX-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713848547 1418644195 /nfs/dbraw/zinc/64/41/95/1418644195.db2.gz AXRYARFKOULMQP-PXPVJAHISA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713897555 1418696579 /nfs/dbraw/zinc/69/65/79/1418696579.db2.gz TWMFBAKXVPUMSR-LJQANCHMSA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001713910745 1418707241 /nfs/dbraw/zinc/70/72/41/1418707241.db2.gz PIWFUSOMZOQROT-MYOULQOHSA-N 2 0 347.547 3.138 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001713912435 1418708421 /nfs/dbraw/zinc/70/84/21/1418708421.db2.gz XBUSFFGEYBDPFK-XAMMNGJPSA-N 2 0 345.531 3.035 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713974148 1418753369 /nfs/dbraw/zinc/75/33/69/1418753369.db2.gz ATQHXZPYMKVGHD-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001713988906 1418766840 /nfs/dbraw/zinc/76/68/40/1418766840.db2.gz KKQRGDAGNDEDLX-OKZBNKHCSA-N 2 0 343.515 3.086 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001714048137 1418844940 /nfs/dbraw/zinc/84/49/40/1418844940.db2.gz KRILURXATPIUSW-AZUAARDMSA-N 2 0 343.515 3.084 10 0 EGAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCC(C)CC1 ZINC001714107615 1418908132 /nfs/dbraw/zinc/90/81/32/1418908132.db2.gz SFFJFSFTPDYPEI-NKELODKYSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001714167175 1418976350 /nfs/dbraw/zinc/97/63/50/1418976350.db2.gz MYTMMHDONAWJKH-XOBRGWDASA-N 2 0 342.487 3.177 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001714168961 1418977712 /nfs/dbraw/zinc/97/77/12/1418977712.db2.gz GPDIQRWLQAYYSS-DJPFJPOOSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCCC1 ZINC001714235078 1419025447 /nfs/dbraw/zinc/02/54/47/1419025447.db2.gz HOMAKJQBJLCCJW-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCC2CCC2)CC1 ZINC001714271238 1419052026 /nfs/dbraw/zinc/05/20/26/1419052026.db2.gz HZZKNHXATNYVJT-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001733202591 1429307799 /nfs/dbraw/zinc/30/77/99/1429307799.db2.gz VXBILOKNXNXZMV-PWBPZBFBSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714442222 1419174623 /nfs/dbraw/zinc/17/46/23/1419174623.db2.gz SSWYGNOELVLDLP-OBNUAKFSSA-N 2 0 335.536 3.140 10 0 EGAERP Cc1cc(C[N@@H+](C)CCNC(=O)[C@@H](CC(C)C)n2ccnc2)cs1 ZINC001714548383 1419274901 /nfs/dbraw/zinc/27/49/01/1419274901.db2.gz KAFNSTHRNRIZIC-QGZVFWFLSA-N 2 0 348.516 3.088 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@@H](C)c1cccc(C)c1 ZINC001714585103 1419326627 /nfs/dbraw/zinc/32/66/27/1419326627.db2.gz WCBGHDLPMISISF-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC(C)(C)C)CC[N@@H+]1C ZINC001714609557 1419369817 /nfs/dbraw/zinc/36/98/17/1419369817.db2.gz WDROLOFMPNEDRP-OKZBNKHCSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001714621701 1419388187 /nfs/dbraw/zinc/38/81/87/1419388187.db2.gz ILGXWAPQWACAHN-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCCC1 ZINC001714640997 1419412902 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XZOXXRZMRDKIAA-RDJZCZTQSA-N 2 0 342.487 3.131 10 0 EGAERP C[N@H+](CC(=O)NCC[C@H]1CC[NH+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001714881211 1419617836 /nfs/dbraw/zinc/61/78/36/1419617836.db2.gz HKKNSYUKMXUOOW-KRWDZBQOSA-N 2 0 339.568 3.229 10 0 EGAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1)[NH+](CC)CC ZINC001714992366 1419724783 /nfs/dbraw/zinc/72/47/83/1419724783.db2.gz QWOJUMWRJQRUFE-SLFFLAALSA-N 2 0 347.547 3.282 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001715023747 1419755185 /nfs/dbraw/zinc/75/51/85/1419755185.db2.gz YGXOLXCJBLBEEO-GOSISDBHSA-N 2 0 337.552 3.362 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001715030708 1419763156 /nfs/dbraw/zinc/76/31/56/1419763156.db2.gz IBEBFIYANSUSAL-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001733234225 1429371164 /nfs/dbraw/zinc/37/11/64/1429371164.db2.gz PIGXUSFXPMLPFB-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C/C=C/c2ccccc2)CCCC1 ZINC001715101129 1419841742 /nfs/dbraw/zinc/84/17/42/1419841742.db2.gz AUXYXZMCTFSKIO-FMIVXFBMSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1)[NH+]1CCCC1 ZINC001733238509 1429380129 /nfs/dbraw/zinc/38/01/29/1429380129.db2.gz UNIYVJUZGCBLMJ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001715159806 1419901304 /nfs/dbraw/zinc/90/13/04/1419901304.db2.gz GXZSFYHLKLNPOY-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CC(C)C2)CC1 ZINC001715171325 1419908845 /nfs/dbraw/zinc/90/88/45/1419908845.db2.gz SNVTVOXBBIXAEN-UUKMXZOPSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC2CCCCC2)CC1 ZINC001715177187 1419912950 /nfs/dbraw/zinc/91/29/50/1419912950.db2.gz DQBBXXMMEHWZCJ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001715188132 1419920482 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345.531 3.134 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715392918 1420090444 /nfs/dbraw/zinc/09/04/44/1420090444.db2.gz XNDVQZYSODVLNW-OALUTQOASA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001715494716 1420176097 /nfs/dbraw/zinc/17/60/97/1420176097.db2.gz XMHXOIMETWGKTP-RBUKOAKNSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001715505466 1420188750 /nfs/dbraw/zinc/18/87/50/1420188750.db2.gz SZQNZILADJRNTD-PMACEKPBSA-N 2 0 345.531 3.018 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CC2=CCCCC2)C1 ZINC001715549403 1420245967 /nfs/dbraw/zinc/24/59/67/1420245967.db2.gz LTZRNLRQEFTZSI-PMACEKPBSA-N 2 0 347.547 3.142 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001715668654 1420287119 /nfs/dbraw/zinc/28/71/19/1420287119.db2.gz BFFIYIYNFNOFPI-ZWKOTPCHSA-N 2 0 345.531 3.415 10 0 EGAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715734658 1420317558 /nfs/dbraw/zinc/31/75/58/1420317558.db2.gz NGODNNOOGJDPJT-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CCN(CC[NH2+]CC[C@H]1CCC[C@@H](C)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001715740063 1420319835 /nfs/dbraw/zinc/31/98/35/1420319835.db2.gz NYSCRGWIWJVGNP-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715767077 1420333168 /nfs/dbraw/zinc/33/31/68/1420333168.db2.gz LEIBIFVQWFDTLC-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(C)c1 ZINC001715821002 1420356337 /nfs/dbraw/zinc/35/63/37/1420356337.db2.gz DLAXXLOPEDZBML-YHTLKTDXSA-N 2 0 343.515 3.192 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1Cl ZINC001715824025 1420358002 /nfs/dbraw/zinc/35/80/02/1420358002.db2.gz GVBVHLZMJFPLDT-LFAOLKIESA-N 2 0 349.906 3.147 10 0 EGAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21)[NH+](CC)CC ZINC001715960586 1420427435 /nfs/dbraw/zinc/42/74/35/1420427435.db2.gz WIHOZXIBGSXKLM-PMACEKPBSA-N 2 0 345.531 3.185 10 0 EGAERP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164373 1420547588 /nfs/dbraw/zinc/54/75/88/1420547588.db2.gz RTTTWMQMBVINCX-HOTGVXAUSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716183571 1420555491 /nfs/dbraw/zinc/55/54/91/1420555491.db2.gz FSTCJYWHORBMBM-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001716329990 1420606293 /nfs/dbraw/zinc/60/62/93/1420606293.db2.gz NBPCCSDAXBQQBR-NYQZOWANSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+]1CCC(CC(=O)NC/C=C\C[NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001716352512 1420614949 /nfs/dbraw/zinc/61/49/49/1420614949.db2.gz TVWISCNIAPOIJI-PLNGDYQASA-N 2 0 349.563 3.197 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716399309 1420634275 /nfs/dbraw/zinc/63/42/75/1420634275.db2.gz FGQMGPYJZFUCLZ-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001716454784 1420669590 /nfs/dbraw/zinc/66/95/90/1420669590.db2.gz KFMHPCVMYJBNRI-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001716509231 1420741124 /nfs/dbraw/zinc/74/11/24/1420741124.db2.gz YUXPSYPBEOHEBH-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001716509229 1420741159 /nfs/dbraw/zinc/74/11/59/1420741159.db2.gz YUXPSYPBEOHEBH-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1C ZINC001716545258 1420756572 /nfs/dbraw/zinc/75/65/72/1420756572.db2.gz RMCFFYHICHCLHU-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(F)cc1 ZINC001716549401 1420757538 /nfs/dbraw/zinc/75/75/38/1420757538.db2.gz VHUKLGJVRNJWDG-RBUKOAKNSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+]CCCN(C)C(=O)CC[NH+](C)C ZINC001716565156 1420761878 /nfs/dbraw/zinc/76/18/78/1420761878.db2.gz XQLDKHLAPGQVSO-UHFFFAOYSA-N 2 0 341.499 3.038 10 0 EGAERP C[NH+](C)CCc1ccc(C(=O)NCC2([NH2+]CCC(C)(C)C)CC2)cc1 ZINC001716693667 1420846199 /nfs/dbraw/zinc/84/61/99/1420846199.db2.gz NXGFMRQUDGFPKZ-UHFFFAOYSA-N 2 0 345.531 3.079 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001716704051 1420858617 /nfs/dbraw/zinc/85/86/17/1420858617.db2.gz LHNFVXCCCHJREA-PXDRNWIDSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001716705951 1420859731 /nfs/dbraw/zinc/85/97/31/1420859731.db2.gz IMHCYPBYIGQDJH-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@]3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001716723500 1420881387 /nfs/dbraw/zinc/88/13/87/1420881387.db2.gz KDUDVGYWOAAWEE-WIYYLYMNSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1=CCCCC1)C2 ZINC001716724598 1420882975 /nfs/dbraw/zinc/88/29/75/1420882975.db2.gz JUJNMYOETJUMPJ-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@]12CC[NH+](C1)CCC2)C1CCCCCC1 ZINC001733278476 1429447029 /nfs/dbraw/zinc/44/70/29/1429447029.db2.gz IQYHIZUBFHMMQW-FQEVSTJZSA-N 2 0 335.536 3.023 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716848376 1420976756 /nfs/dbraw/zinc/97/67/56/1420976756.db2.gz BZTJGDNIPBBRGJ-LAUBAEHRSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CCC2)C1 ZINC001716900781 1421031564 /nfs/dbraw/zinc/03/15/64/1421031564.db2.gz UUBYNPAZMGSVPC-PZJWPPBQSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@]1(C)CCC[N@H+](Cc2ccccc2)C1 ZINC001716902189 1421034546 /nfs/dbraw/zinc/03/45/46/1421034546.db2.gz YQXDMCSWVDQHRT-NRFANRHFSA-N 2 0 345.531 3.137 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC(C)(C)C)C2 ZINC001716951606 1421047841 /nfs/dbraw/zinc/04/78/41/1421047841.db2.gz JSGUKMWHYQBDMI-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001717004187 1421072945 /nfs/dbraw/zinc/07/29/45/1421072945.db2.gz ATAPAORLPFEMNE-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]3[C@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001717035110 1421088545 /nfs/dbraw/zinc/08/85/45/1421088545.db2.gz GHBSKRKPRZDFOM-ZWKOTPCHSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001717036662 1421090747 /nfs/dbraw/zinc/09/07/47/1421090747.db2.gz VEEKONPMMLKMOO-YSIASYRMSA-N 2 0 349.563 3.076 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001717088200 1421104776 /nfs/dbraw/zinc/10/47/76/1421104776.db2.gz QORQHQMUUZIBPU-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001717114732 1421118604 /nfs/dbraw/zinc/11/86/04/1421118604.db2.gz GGXJGBPMYKNUNY-SJORKVTESA-N 2 0 345.531 3.484 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001717152992 1421143572 /nfs/dbraw/zinc/14/35/72/1421143572.db2.gz LDZMSUKJHOSODQ-DLBZAZTESA-N 2 0 335.536 3.068 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717197793 1421164605 /nfs/dbraw/zinc/16/46/05/1421164605.db2.gz FSUFUCFEAPEANH-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001717376511 1421319092 /nfs/dbraw/zinc/31/90/92/1421319092.db2.gz SOECEFMSDXSRAM-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001717458045 1421387322 /nfs/dbraw/zinc/38/73/22/1421387322.db2.gz DMHRIAAOXDKKDF-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CC3CC(C)(C)C3)CCCCC2)CC1 ZINC001717527489 1421463230 /nfs/dbraw/zinc/46/32/30/1421463230.db2.gz QFKXPDFIKXZJFR-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001717587902 1421516081 /nfs/dbraw/zinc/51/60/81/1421516081.db2.gz OUQRPKDOVAWLDK-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001717587983 1421516423 /nfs/dbraw/zinc/51/64/23/1421516423.db2.gz QBSXBZDSJUVUAZ-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001717703366 1421577064 /nfs/dbraw/zinc/57/70/64/1421577064.db2.gz GPXBMWDDADYEHA-SFHVURJKSA-N 2 0 345.531 3.239 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001717838582 1421652457 /nfs/dbraw/zinc/65/24/57/1421652457.db2.gz VASBCSPLQPIDLM-SBHAEUEKSA-N 2 0 347.547 3.164 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001717840996 1421656135 /nfs/dbraw/zinc/65/61/35/1421656135.db2.gz MSFGVNGLWUOHEC-CMKODMSKSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001717856636 1421668849 /nfs/dbraw/zinc/66/88/49/1421668849.db2.gz VZXYKLWIJBPJLC-IEBWSBKVSA-N 2 0 347.547 3.188 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878605 1421684382 /nfs/dbraw/zinc/68/43/82/1421684382.db2.gz YKMQUAZBSWCELD-ROUUACIJSA-N 2 0 337.552 3.173 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001717893868 1421692373 /nfs/dbraw/zinc/69/23/73/1421692373.db2.gz IEOZKYMCDBLBIE-ZWKOTPCHSA-N 2 0 337.552 3.122 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001717960274 1421731936 /nfs/dbraw/zinc/73/19/36/1421731936.db2.gz WSTOJNXLJPZJAU-KSZLIROESA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001717996362 1421764510 /nfs/dbraw/zinc/76/45/10/1421764510.db2.gz ATZFTNBTYYFMJJ-CTWPCTMYSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001718004219 1421770678 /nfs/dbraw/zinc/77/06/78/1421770678.db2.gz IORMZRLQILTVNT-HDICACEKSA-N 2 0 347.547 3.186 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@H](C)C1 ZINC001733323667 1429508682 /nfs/dbraw/zinc/50/86/82/1429508682.db2.gz AZWAPZALMXLFGF-BTFXCVNISA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001733355947 1429537231 /nfs/dbraw/zinc/53/72/31/1429537231.db2.gz GYEBNZNZGYVYRZ-OJBOGMDESA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001733379475 1429563453 /nfs/dbraw/zinc/56/34/53/1429563453.db2.gz GFFLFXUEQQXXFJ-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001733441398 1429649208 /nfs/dbraw/zinc/64/92/08/1429649208.db2.gz PTUGTWAGEKWWIX-NRFANRHFSA-N 2 0 345.531 3.055 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459937 1429683914 /nfs/dbraw/zinc/68/39/14/1429683914.db2.gz ARJMENDGFCYIRJ-OXQOHEQNSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001733462998 1429691798 /nfs/dbraw/zinc/69/17/98/1429691798.db2.gz YYZAHSGOPIDJSK-QUCCMNQESA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001722950574 1424273790 /nfs/dbraw/zinc/27/37/90/1424273790.db2.gz BCHXIFGVKOCUNK-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)cc1 ZINC001723569335 1424468761 /nfs/dbraw/zinc/46/87/61/1424468761.db2.gz FWARSLIHINYPEY-UHFFFAOYSA-N 2 0 343.515 3.036 10 0 EGAERP CC(C)C[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001723699354 1424536479 /nfs/dbraw/zinc/53/64/79/1424536479.db2.gz KADCTLHDTPUVJU-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001723706014 1424539276 /nfs/dbraw/zinc/53/92/76/1424539276.db2.gz VQOOKEKZCCGRCG-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001723727333 1424551586 /nfs/dbraw/zinc/55/15/86/1424551586.db2.gz RFPGLXKBSRAMBC-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@H](C)c2ccccc2F)CC1 ZINC001724026397 1424634041 /nfs/dbraw/zinc/63/40/41/1424634041.db2.gz RVXOARHLZMFAAS-MRXNPFEDSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CC2CCCC2)C1 ZINC001724189027 1424721562 /nfs/dbraw/zinc/72/15/62/1424721562.db2.gz KJVTYOHNIWPWII-FQEVSTJZSA-N 2 0 335.536 3.023 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001724224544 1424743112 /nfs/dbraw/zinc/74/31/12/1424743112.db2.gz ZWUJOUSARJDAAI-OAQYLSRUSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724240108 1424751317 /nfs/dbraw/zinc/75/13/17/1424751317.db2.gz QZKTYELJOVLPQD-UYAOXDASSA-N 2 0 335.536 3.020 10 0 EGAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001724511823 1424888525 /nfs/dbraw/zinc/88/85/25/1424888525.db2.gz MCSYIGFYKHJLSR-WOJBJXKFSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001724612343 1424955249 /nfs/dbraw/zinc/95/52/49/1424955249.db2.gz HJFJQACNLFZJHS-GUDVDZBRSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001724647403 1425003866 /nfs/dbraw/zinc/00/38/66/1425003866.db2.gz GCHVDCSDPJFLMW-OALUTQOASA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724655465 1425020491 /nfs/dbraw/zinc/02/04/91/1425020491.db2.gz LYBZAKVHOZOMAB-OXUXSNCKSA-N 2 0 335.536 3.140 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001724655829 1425021389 /nfs/dbraw/zinc/02/13/89/1425021389.db2.gz MTKHGPOCEHKVIP-OTWHNJEPSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724706558 1425063280 /nfs/dbraw/zinc/06/32/80/1425063280.db2.gz HUZABXJDKIEOEB-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001733571086 1429774128 /nfs/dbraw/zinc/77/41/28/1429774128.db2.gz DAGZSXCWACGHDI-KDURUIRLSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745894 1425114951 /nfs/dbraw/zinc/11/49/51/1425114951.db2.gz UIDNFZGNGSPCPL-LCMUONCDSA-N 2 0 349.906 3.046 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001724760458 1425131651 /nfs/dbraw/zinc/13/16/51/1425131651.db2.gz WYRVIWSTEJZMSH-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001724843686 1425193183 /nfs/dbraw/zinc/19/31/83/1425193183.db2.gz NYWQKFZVPFGYHW-GBESFXJTSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001724857815 1425233901 /nfs/dbraw/zinc/23/39/01/1425233901.db2.gz NSARPYLRCUZREZ-AZUAARDMSA-N 2 0 347.547 3.485 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001724858376 1425236084 /nfs/dbraw/zinc/23/60/84/1425236084.db2.gz UFGTZDJNVGODRU-OALUTQOASA-N 2 0 345.531 3.178 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001724882399 1425263537 /nfs/dbraw/zinc/26/35/37/1425263537.db2.gz BDIYVDGSUMSCFJ-BBVFFXRHSA-N 2 0 337.552 3.290 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]C/C=C\c2ccccc2)CC1 ZINC001724957116 1425344003 /nfs/dbraw/zinc/34/40/03/1425344003.db2.gz PUQIRHSMSZRPBQ-XFFZJAGNSA-N 2 0 343.515 3.012 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)CC1(C)C)C1CCC1 ZINC001724966472 1425359358 /nfs/dbraw/zinc/35/93/58/1425359358.db2.gz OJZYJEQSOKZJGY-GOSISDBHSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001724974760 1425376127 /nfs/dbraw/zinc/37/61/27/1425376127.db2.gz ONKRZQUSPRPAQH-GIFJBRJJSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001725002405 1425411825 /nfs/dbraw/zinc/41/18/25/1425411825.db2.gz LFPVLTZJUSROAA-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725007206 1425421844 /nfs/dbraw/zinc/42/18/44/1425421844.db2.gz OQHLWCABDUQZID-CBVOVTJASA-N 2 0 341.515 3.040 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)[NH+](CC)CC ZINC001725048962 1425480185 /nfs/dbraw/zinc/48/01/85/1425480185.db2.gz QERNIAVLYJLCLG-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001725049760 1425481383 /nfs/dbraw/zinc/48/13/83/1425481383.db2.gz UDVXQSSHLGSXAT-GLCUZYPYSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725063721 1425505587 /nfs/dbraw/zinc/50/55/87/1425505587.db2.gz ONKJWKIZBNVRNF-AFMYVXGZSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CC(C)(C)C1 ZINC001725163151 1425664150 /nfs/dbraw/zinc/66/41/50/1425664150.db2.gz BMFZMWNNGVVQID-LPHOPBHVSA-N 2 0 349.563 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001725192688 1425741642 /nfs/dbraw/zinc/74/16/42/1425741642.db2.gz CFSXGOJPNYXXKY-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2ccccc2C)CCCCC1)[NH+](C)C ZINC001725225085 1425794064 /nfs/dbraw/zinc/79/40/64/1425794064.db2.gz WXVYUJRCUXVTSU-LJQANCHMSA-N 2 0 345.531 3.244 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001725242126 1425851111 /nfs/dbraw/zinc/85/11/11/1425851111.db2.gz SRTFKTYFDOJGPK-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1C[N@H+](CCCC2CCCC2)CC1(C)C ZINC001725288906 1425929915 /nfs/dbraw/zinc/92/99/15/1425929915.db2.gz KBMDVUIJHMLENE-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001725334219 1425978616 /nfs/dbraw/zinc/97/86/16/1425978616.db2.gz LXYGGNQRAAWUBM-FHWLQOOXSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001725403603 1426047669 /nfs/dbraw/zinc/04/76/69/1426047669.db2.gz IVLCZROARMJSMK-ROUUACIJSA-N 2 0 345.531 3.272 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001725456485 1426122706 /nfs/dbraw/zinc/12/27/06/1426122706.db2.gz WEBVODFMPZMLCI-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725504846 1426186518 /nfs/dbraw/zinc/18/65/18/1426186518.db2.gz PHKPESZCMIKNOW-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c1 ZINC001725576534 1426233564 /nfs/dbraw/zinc/23/35/64/1426233564.db2.gz VDOMHRQUMDZVCA-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001725576533 1426233811 /nfs/dbraw/zinc/23/38/11/1426233811.db2.gz VDOMHRQUMDZVCA-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001725622348 1426288089 /nfs/dbraw/zinc/28/80/89/1426288089.db2.gz HGIPHNBVFDQFGI-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001725629618 1426297209 /nfs/dbraw/zinc/29/72/09/1426297209.db2.gz NCAITGSFSCSWGA-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1cccc(F)c1 ZINC001725681919 1426369275 /nfs/dbraw/zinc/36/92/75/1426369275.db2.gz YQZDYSQNUIMLRV-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725769943 1426453464 /nfs/dbraw/zinc/45/34/64/1426453464.db2.gz PPNNFVFXIKAFDN-DKFQHHCZSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001725831483 1426509898 /nfs/dbraw/zinc/50/98/98/1426509898.db2.gz DUQNVVIMHGLXJZ-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CCC(C)CC1 ZINC001731245287 1427201052 /nfs/dbraw/zinc/20/10/52/1427201052.db2.gz PSWYLFDRFBOUKU-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001731352024 1427291558 /nfs/dbraw/zinc/29/15/58/1427291558.db2.gz JACFOKHYHQUASJ-PVTFFILZSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001731377925 1427312467 /nfs/dbraw/zinc/31/24/67/1427312467.db2.gz OJUJXEJVBGEXPU-YSKLNCTFSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)CCc1ccc(C(=O)N[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC001731453386 1427429217 /nfs/dbraw/zinc/42/92/17/1427429217.db2.gz LMTORNRQZJBLNP-WGSAOQKQSA-N 2 0 345.531 3.077 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001731456296 1427432205 /nfs/dbraw/zinc/43/22/05/1427432205.db2.gz PBQKIWFPXCZKKB-BRSBDYLESA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1)[NH+](CC)CC ZINC001731484380 1427459804 /nfs/dbraw/zinc/45/98/04/1427459804.db2.gz AGGYYSYFDKUBPV-GGXPGOJBSA-N 2 0 349.494 3.244 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001731493651 1427468154 /nfs/dbraw/zinc/46/81/54/1427468154.db2.gz UZIOJKOMXYHCLV-VWAQSERHSA-N 2 0 349.563 3.170 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731520331 1427508358 /nfs/dbraw/zinc/50/83/58/1427508358.db2.gz XLJKHLXOEWKFCH-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001731519999 1427508477 /nfs/dbraw/zinc/50/84/77/1427508477.db2.gz USWVUIJHXPJDIK-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC001731537453 1427537421 /nfs/dbraw/zinc/53/74/21/1427537421.db2.gz GWYTUBVWHIKTRU-LJQANCHMSA-N 2 0 343.515 3.032 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001731541431 1427549820 /nfs/dbraw/zinc/54/98/20/1427549820.db2.gz AOWLBHQWRHBGMT-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001731591461 1427633351 /nfs/dbraw/zinc/63/33/51/1427633351.db2.gz FYWBIBXPTIEYDM-PXNSSMCTSA-N 2 0 345.531 3.277 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001731615599 1427662975 /nfs/dbraw/zinc/66/29/75/1427662975.db2.gz JICDJMVBFHSFPQ-MOPGFXCFSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001731621432 1427671882 /nfs/dbraw/zinc/67/18/82/1427671882.db2.gz DAYJGIFOBJGEDX-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)CC1=CCCCC1 ZINC001731815886 1428010541 /nfs/dbraw/zinc/01/05/41/1428010541.db2.gz FRHDDFHNCOMELW-HXUWFJFHSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731834872 1428048757 /nfs/dbraw/zinc/04/87/57/1428048757.db2.gz SECZMWOHWHTPHK-HZQHCPKGSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CC2=CCCCC2)C2CC2)C1 ZINC001731879769 1428149193 /nfs/dbraw/zinc/14/91/93/1428149193.db2.gz FOJBIPDTKOFYEU-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001731987795 1428197770 /nfs/dbraw/zinc/19/77/70/1428197770.db2.gz MLZNYWPEELHYSN-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2C[C@H](C)CC(C)C ZINC001733598541 1429797819 /nfs/dbraw/zinc/79/78/19/1429797819.db2.gz HFJLBZCTUFGNOS-QRVBRYPASA-N 2 0 337.552 3.076 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001733603960 1429812234 /nfs/dbraw/zinc/81/22/34/1429812234.db2.gz RYAFMGQPBFCUID-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733657823 1429849449 /nfs/dbraw/zinc/84/94/49/1429849449.db2.gz GKZIFKARTQHGKW-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001733759583 1429973710 /nfs/dbraw/zinc/97/37/10/1429973710.db2.gz FUVHWKANZAOCKY-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733804851 1430074795 /nfs/dbraw/zinc/07/47/95/1430074795.db2.gz IFYXGKRODUNEAK-HPFMTEOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC001733808580 1430081608 /nfs/dbraw/zinc/08/16/08/1430081608.db2.gz JICKYUYYHSEQSC-FQEVSTJZSA-N 2 0 349.563 3.293 10 0 EGAERP CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001733808869 1430082738 /nfs/dbraw/zinc/08/27/38/1430082738.db2.gz ATQKDOJZXMSIOS-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001733812998 1430092176 /nfs/dbraw/zinc/09/21/76/1430092176.db2.gz DNSYNLDZLAMKRV-GHTZIAJQSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001733813858 1430094525 /nfs/dbraw/zinc/09/45/25/1430094525.db2.gz RNZMZMRJAUHUOH-GHTZIAJQSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@@H](C)C3)cc2C1 ZINC001733835664 1430107612 /nfs/dbraw/zinc/10/76/12/1430107612.db2.gz HSNBORKBRGHNNU-QGZVFWFLSA-N 2 0 343.515 3.150 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001733866584 1437694419 /nfs/dbraw/zinc/69/44/19/1437694419.db2.gz XWRILMQZSRYZPJ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001733867391 1437694784 /nfs/dbraw/zinc/69/47/84/1437694784.db2.gz ISPCNTKSKIATLH-UHFFFAOYSA-N 2 0 345.531 3.175 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001733999111 1437792313 /nfs/dbraw/zinc/79/23/13/1437792313.db2.gz SJKWJXZNOYQYMT-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001733999113 1437792365 /nfs/dbraw/zinc/79/23/65/1437792365.db2.gz SJKWJXZNOYQYMT-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001734050172 1437839964 /nfs/dbraw/zinc/83/99/64/1437839964.db2.gz ZTPGTUMSUNHGGI-IRXDYDNUSA-N 2 0 341.499 3.289 10 0 EGAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CCC1CCCCC1 ZINC001734053347 1437843553 /nfs/dbraw/zinc/84/35/53/1437843553.db2.gz MZPLMSKCEIHIAD-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001734064471 1437859558 /nfs/dbraw/zinc/85/95/58/1437859558.db2.gz BZVFSSUNDARVHK-HUUCEWRRSA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001734079249 1437866704 /nfs/dbraw/zinc/86/67/04/1437866704.db2.gz MPAQYWYKANVLQH-YHWKNFMLSA-N 2 0 343.943 3.076 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001734089760 1437874556 /nfs/dbraw/zinc/87/45/56/1437874556.db2.gz HQGMGYPQCXYHKT-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001734105511 1437891960 /nfs/dbraw/zinc/89/19/60/1437891960.db2.gz DCDWAQVOPGEDRW-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001734121340 1437901795 /nfs/dbraw/zinc/90/17/95/1437901795.db2.gz UEUZBVYVPVWKER-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734124729 1437903839 /nfs/dbraw/zinc/90/38/39/1437903839.db2.gz XOCUUFUJKKXJPJ-TUYSUELWSA-N 2 0 343.515 3.155 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001734189229 1437932002 /nfs/dbraw/zinc/93/20/02/1437932002.db2.gz OCVINBBVDTXSCE-FHWLQOOXSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734234722 1437951837 /nfs/dbraw/zinc/95/18/37/1437951837.db2.gz RRVBOAVHZDTSCN-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001734269697 1437996767 /nfs/dbraw/zinc/99/67/67/1437996767.db2.gz YKDCKOBQWZQWAS-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CCC2CCCCC2)CC1 ZINC001734273108 1438005423 /nfs/dbraw/zinc/00/54/23/1438005423.db2.gz BULCEWWDWJGXKO-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734346606 1438065712 /nfs/dbraw/zinc/06/57/12/1438065712.db2.gz LQOFKAIQHDJGJT-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001734432141 1438095452 /nfs/dbraw/zinc/09/54/52/1438095452.db2.gz ZYEJKBBSDDWAFE-HKUYNNGSSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001734436272 1438098736 /nfs/dbraw/zinc/09/87/36/1438098736.db2.gz CMKYOQYQTKLANR-HUUJSLGLSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001734439839 1438102275 /nfs/dbraw/zinc/10/22/75/1438102275.db2.gz LIMOPABAKDNCKS-JENIJYKNSA-N 2 0 349.544 3.010 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2 ZINC001734444032 1438105797 /nfs/dbraw/zinc/10/57/97/1438105797.db2.gz UGDGRPJOIYOYEU-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001734499244 1438133984 /nfs/dbraw/zinc/13/39/84/1438133984.db2.gz CIGMVBVVDUSEAU-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001734502177 1438135445 /nfs/dbraw/zinc/13/54/45/1438135445.db2.gz YHYUNHZEJRBKFP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001734502925 1438135993 /nfs/dbraw/zinc/13/59/93/1438135993.db2.gz QCXYINNBOAVDIB-LPHOPBHVSA-N 2 0 345.531 3.235 10 0 EGAERP CCCC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001734505087 1438136959 /nfs/dbraw/zinc/13/69/59/1438136959.db2.gz SCLBWWYBDDFQTC-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734554206 1438153018 /nfs/dbraw/zinc/15/30/18/1438153018.db2.gz QJRMXFNOXIILLP-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001734571433 1438165359 /nfs/dbraw/zinc/16/53/59/1438165359.db2.gz URAZKXNDNOILEV-MSOLQXFVSA-N 2 0 337.552 3.312 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001750928723 1440112216 /nfs/dbraw/zinc/11/22/16/1440112216.db2.gz DEFBDKPASGMZIA-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001750931653 1440113116 /nfs/dbraw/zinc/11/31/16/1440113116.db2.gz WNOJPQGUFVNSJU-FPOVZHCZSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562084 299292100 /nfs/dbraw/zinc/29/21/00/299292100.db2.gz TZEGYJBNWOOEFH-DLBZAZTESA-N 2 0 339.524 3.240 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(=O)NC(C)(C)C ZINC000071124087 299323964 /nfs/dbraw/zinc/32/39/64/299323964.db2.gz FGQANVMNPUOGIK-INIZCTEOSA-N 2 0 331.504 3.065 10 0 EGAERP CCC1(C[NH2+]Cc2ccn(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000378261650 169093668 /nfs/dbraw/zinc/09/36/68/169093668.db2.gz UESNVTKDAUDPKN-UHFFFAOYSA-N 2 0 326.488 3.202 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21 ZINC000353458300 141301518 /nfs/dbraw/zinc/30/15/18/141301518.db2.gz BIEUZMOSLWFEFC-HBMCJLEFSA-N 3 0 329.532 3.489 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189560866 153078296 /nfs/dbraw/zinc/07/82/96/153078296.db2.gz UDGWEJPXQNOFDL-GDBMZVCRSA-N 2 0 336.442 3.276 10 0 EGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@@H](Oc2cccnc2)C1 ZINC000192078666 153240448 /nfs/dbraw/zinc/24/04/48/153240448.db2.gz OPMAESJVVZWFJR-HXUWFJFHSA-N 2 0 334.423 3.229 10 0 EGAERP C[NH+](C)CCC1CC[NH+](Cc2cnc(-c3ccccn3)s2)CC1 ZINC000092381388 161966024 /nfs/dbraw/zinc/96/60/24/161966024.db2.gz AQMJWKGYMCPJBI-UHFFFAOYSA-N 2 0 330.501 3.369 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccco1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000344076028 164098189 /nfs/dbraw/zinc/09/81/89/164098189.db2.gz DITRDDAAAYYESG-UHFFFAOYSA-N 2 0 349.519 3.072 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](COc2ccccc2)C1 ZINC000346349012 164373081 /nfs/dbraw/zinc/37/30/81/164373081.db2.gz IUYBCJRYHYPURS-SFHVURJKSA-N 2 0 348.450 3.477 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC[C@@H](C)C3)cn2)CC1 ZINC000350897114 165078111 /nfs/dbraw/zinc/07/81/11/165078111.db2.gz NXBCSTKRYOVTIH-MSOLQXFVSA-N 2 0 330.520 3.139 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2-c2ccnn2C)[C@@H](C)C1 ZINC000351659023 165119066 /nfs/dbraw/zinc/11/90/66/165119066.db2.gz NYYMTTGDFPYJNN-QFBILLFUSA-N 2 0 326.488 3.249 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354993937 166082171 /nfs/dbraw/zinc/08/21/71/166082171.db2.gz PYUCLYBVWLVISE-IBGZPJMESA-N 2 0 329.488 3.138 10 0 EGAERP Cc1ncsc1C[NH2+]C1CC(N2CCC(C(F)(F)F)CC2)C1 ZINC000355307328 166159595 /nfs/dbraw/zinc/15/95/95/166159595.db2.gz CSVLUWVJAMONQP-UHFFFAOYSA-N 2 0 333.423 3.346 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CCCCO2)CC1 ZINC000355764405 166301064 /nfs/dbraw/zinc/30/10/64/166301064.db2.gz HFZBRXFHMMLUTQ-HXUWFJFHSA-N 2 0 345.531 3.267 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCCCO2)CC1 ZINC000355764403 166301377 /nfs/dbraw/zinc/30/13/77/166301377.db2.gz HFZBRXFHMMLUTQ-FQEVSTJZSA-N 2 0 345.531 3.267 10 0 EGAERP COc1cc2c(NC[C@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]c2cc1F ZINC000359413415 167148887 /nfs/dbraw/zinc/14/88/87/167148887.db2.gz UPZVEQGWOUJDIO-AWEZNQCLSA-N 2 0 347.434 3.151 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359592932 276095591 /nfs/dbraw/zinc/09/55/91/276095591.db2.gz AMBRLUNSZIKYRF-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cccc3c2OCCCO3)CC1 ZINC000350185495 279092256 /nfs/dbraw/zinc/09/22/56/279092256.db2.gz VLJKHRHFLZGHHD-UHFFFAOYSA-N 2 0 332.488 3.402 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414298196 309071284 /nfs/dbraw/zinc/07/12/84/309071284.db2.gz ZBZBSFMUDBMHAR-UHFFFAOYSA-N 2 0 343.437 3.131 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+]Cc1ccc(C(F)(F)F)c(C)c1 ZINC000414360654 309075120 /nfs/dbraw/zinc/07/51/20/309075120.db2.gz GZUJJGRBHGTXNY-HNNXBMFYSA-N 2 0 332.410 3.460 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CNc1ccc(C[NH+](C)C)cc1F ZINC000414495737 309084469 /nfs/dbraw/zinc/08/44/69/309084469.db2.gz HLSWYANHMWGHMG-UHFFFAOYSA-N 2 0 339.418 3.389 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)c(Cl)c2)[C@H](C)C1 ZINC000294856998 308264639 /nfs/dbraw/zinc/26/46/39/308264639.db2.gz CSTRCKNIRKPTBJ-CXAGYDPISA-N 2 0 338.879 3.289 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295409863 308324133 /nfs/dbraw/zinc/32/41/33/308324133.db2.gz MZHZQTGWKFJWAQ-OAHLLOKOSA-N 2 0 339.252 3.427 10 0 EGAERP Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414717548 309097200 /nfs/dbraw/zinc/09/72/00/309097200.db2.gz ZSEPCKVPFDWWDE-MOPGFXCFSA-N 2 0 338.499 3.484 10 0 EGAERP COc1cc2c(c(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)c1)O[C@H](C)C2 ZINC000414813241 309103214 /nfs/dbraw/zinc/10/32/14/309103214.db2.gz SYDKNFKTEWNQMJ-ZIAGYGMSSA-N 2 0 326.440 3.328 10 0 EGAERP FC(F)Oc1c(Br)cccc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414827120 309104045 /nfs/dbraw/zinc/10/40/45/309104045.db2.gz GOLDCQYAFIEVGN-SNVBAGLBSA-N 2 0 349.219 3.140 10 0 EGAERP [NH3+][C@@H](CNC1CC[NH+](CCc2ccc(F)cc2)CC1)c1ccccc1 ZINC000414827089 309104137 /nfs/dbraw/zinc/10/41/37/309104137.db2.gz GMFDVXYRCSEIJS-NRFANRHFSA-N 2 0 341.474 3.122 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@@H]2CC[NH2+]C2)cc1Br ZINC000400345713 308907088 /nfs/dbraw/zinc/90/70/88/308907088.db2.gz HDFHSWXZNMKQKW-DMDPSCGWSA-N 2 0 327.266 3.106 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000414862241 309106155 /nfs/dbraw/zinc/10/61/55/309106155.db2.gz VICXGDKINHQCSH-HNNXBMFYSA-N 2 0 333.476 3.054 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]CCC[C@@H]1CCC[NH2+]1 ZINC000414970121 309112184 /nfs/dbraw/zinc/11/21/84/309112184.db2.gz JZMBGCLTYKFDGH-CQSZACIVSA-N 2 0 327.266 3.080 10 0 EGAERP COCC1(C[NH2+][C@@H](C)CCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000414970917 309112262 /nfs/dbraw/zinc/11/22/62/309112262.db2.gz IBJRMCULDTZURD-ZDUSSCGKSA-N 2 0 330.925 3.328 10 0 EGAERP COc1ccc(Cn2nc(C)c(C[NH2+][C@H](C)CCCC[NH3+])c2C)cc1 ZINC000415012556 309114226 /nfs/dbraw/zinc/11/42/26/309114226.db2.gz JJRPEYXEZRNYBC-OAHLLOKOSA-N 2 0 344.503 3.164 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415085347 309119358 /nfs/dbraw/zinc/11/93/58/309119358.db2.gz PZEKCNQIMFDSCK-DFEHZGFQSA-N 2 0 335.442 3.054 10 0 EGAERP CC(C)C[C@@H]([NH3+])C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000415090577 309119634 /nfs/dbraw/zinc/11/96/34/309119634.db2.gz YBPYWOLVOABXHC-CYBMUJFWSA-N 2 0 325.294 3.444 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[NH2+][C@H](C)C1 ZINC000415114883 309121209 /nfs/dbraw/zinc/12/12/09/309121209.db2.gz GJUSXBVRUSOKKI-IAGOWNOFSA-N 2 0 326.488 3.473 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000415917094 309148370 /nfs/dbraw/zinc/14/83/70/309148370.db2.gz JPSLOXZKMOKRNB-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000415940944 309150184 /nfs/dbraw/zinc/15/01/84/309150184.db2.gz FSCQRIQCEFKAGP-UHFFFAOYSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000415940228 309150186 /nfs/dbraw/zinc/15/01/86/309150186.db2.gz DRLZSWCXPXWCCI-HOTGVXAUSA-N 2 0 332.492 3.038 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000417019816 309189953 /nfs/dbraw/zinc/18/99/53/309189953.db2.gz RGTDHVYMDVILFT-HNAYVOBHSA-N 2 0 346.519 3.016 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(c3ccc(O)cc3)CC2)cc1 ZINC000420297341 309279939 /nfs/dbraw/zinc/27/99/39/309279939.db2.gz CZBMMIMQSFBXEW-IBGZPJMESA-N 2 0 340.467 3.323 10 0 EGAERP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)s1 ZINC000420337681 309282966 /nfs/dbraw/zinc/28/29/66/309282966.db2.gz OKFGKDFCSKEYRF-GFCCVEGCSA-N 2 0 333.423 3.434 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000420394421 309286174 /nfs/dbraw/zinc/28/61/74/309286174.db2.gz KMDKNLCBOXIWKU-GJZGRUSLSA-N 2 0 346.500 3.195 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000421342670 309319242 /nfs/dbraw/zinc/31/92/42/309319242.db2.gz OIGLJXZRZHDOQU-MGPUTAFESA-N 2 0 342.487 3.243 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000422752889 309366574 /nfs/dbraw/zinc/36/65/74/309366574.db2.gz HSQXUZXJLJLPMS-AWEZNQCLSA-N 2 0 337.471 3.248 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824249 309370283 /nfs/dbraw/zinc/37/02/83/309370283.db2.gz GSCYNCKLRIXQJI-XJKSGUPXSA-N 2 0 328.403 3.009 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000422880275 309373655 /nfs/dbraw/zinc/37/36/55/309373655.db2.gz WPTKIARWPZPDEN-PMPSAXMXSA-N 2 0 336.911 3.214 10 0 EGAERP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422899084 309375033 /nfs/dbraw/zinc/37/50/33/309375033.db2.gz NQAYTCPHVPPKOQ-VAMGGRTRSA-N 2 0 332.488 3.112 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422901431 309375170 /nfs/dbraw/zinc/37/51/70/309375170.db2.gz CAGYNNQMIJPTDZ-FWZVCBSNSA-N 2 0 327.516 3.160 10 0 EGAERP [NH3+]CC1CCC([NH2+]CCc2ccc(F)c(Br)c2)CC1 ZINC000422931689 309376764 /nfs/dbraw/zinc/37/67/64/309376764.db2.gz CMIVHJCYUMEJGB-UHFFFAOYSA-N 2 0 329.257 3.238 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000422935406 309376938 /nfs/dbraw/zinc/37/69/38/309376938.db2.gz AIPSNAFPGDDWJM-AWEZNQCLSA-N 2 0 327.472 3.486 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422937622 309377074 /nfs/dbraw/zinc/37/70/74/309377074.db2.gz OKJKLIQQFWNYOO-VDGAXYAQSA-N 2 0 340.467 3.108 10 0 EGAERP COc1ccc([C@@H](NCC(C)(C)C[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080878 309384912 /nfs/dbraw/zinc/38/49/12/309384912.db2.gz TUPGYIQAEKMZKH-WOJBJXKFSA-N 2 0 345.531 3.200 10 0 EGAERP c1ccc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423088377 309385334 /nfs/dbraw/zinc/38/53/34/309385334.db2.gz RTTWYHMIHMADJN-NJDAHSKKSA-N 2 0 327.516 3.413 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423094290 309385606 /nfs/dbraw/zinc/38/56/06/309385606.db2.gz JTEQAJCVCJDAAQ-FVQBIDKESA-N 2 0 330.394 3.295 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)[C@H]1CCC[NH2+]C1 ZINC000423204931 309390202 /nfs/dbraw/zinc/39/02/02/309390202.db2.gz AVRACNIWZKUSSD-AEGPPILISA-N 2 0 337.305 3.284 10 0 EGAERP Cn1ccc([C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423259821 309392759 /nfs/dbraw/zinc/39/27/59/309392759.db2.gz PCHFYDBZRNPUDI-KSSFIOAISA-N 2 0 332.879 3.142 10 0 EGAERP CCc1ccc(C[C@@H](Cc2ccc(Cl)cc2)[NH2+]CC2C[NH2+]C2)nc1 ZINC000423312805 309394807 /nfs/dbraw/zinc/39/48/07/309394807.db2.gz DQYLMAZEDNSKHD-HXUWFJFHSA-N 2 0 343.902 3.260 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423362081 309396960 /nfs/dbraw/zinc/39/69/60/309396960.db2.gz AUCVSOJRTKSIMV-TURNYIBQSA-N 2 0 327.241 3.163 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423386590 309398277 /nfs/dbraw/zinc/39/82/77/309398277.db2.gz LYWROVKAWPXXHG-HTAPYJJXSA-N 3 0 335.495 3.290 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1cccc2c1CCCN2 ZINC000423408323 309398837 /nfs/dbraw/zinc/39/88/37/309398837.db2.gz ACDMIHZHYKCHQJ-IRLDBZIGSA-N 2 0 349.478 3.390 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000423405423 309398862 /nfs/dbraw/zinc/39/88/62/309398862.db2.gz TXPJYGXMSUDDAN-HFAKWTLXSA-N 2 0 329.257 3.107 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1cccc2c1CCCN2 ZINC000423408325 309398932 /nfs/dbraw/zinc/39/89/32/309398932.db2.gz ACDMIHZHYKCHQJ-RBBKRZOGSA-N 2 0 349.478 3.390 10 0 EGAERP CC[NH+](CC)CC1CCN(C(=O)Nc2cc(C)cc(C[NH3+])c2)CC1 ZINC000424446874 309444113 /nfs/dbraw/zinc/44/41/13/309444113.db2.gz SJKQLSWDVFOARS-UHFFFAOYSA-N 2 0 332.492 3.039 10 0 EGAERP CC[NH+]1CCC(NC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449064967 310034056 /nfs/dbraw/zinc/03/40/56/310034056.db2.gz RHAXFFLUESLINL-SFHVURJKSA-N 2 0 329.532 3.156 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000449076751 310035098 /nfs/dbraw/zinc/03/50/98/310035098.db2.gz XVYBVVYTKWWRMA-GOSISDBHSA-N 2 0 341.543 3.298 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449168269 310041832 /nfs/dbraw/zinc/04/18/32/310041832.db2.gz CZGZYQHDBAEPAH-LQWHRVPQSA-N 2 0 329.532 3.154 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449168270 310041879 /nfs/dbraw/zinc/04/18/79/310041879.db2.gz CZGZYQHDBAEPAH-LVCYWYKZSA-N 2 0 329.532 3.154 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CCOCC2)CC1 ZINC000449179178 310042495 /nfs/dbraw/zinc/04/24/95/310042495.db2.gz ZEEJZSNGNFZKDO-SFHVURJKSA-N 2 0 330.516 3.488 10 0 EGAERP CCC(=O)N1CC[C@@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449184238 310042805 /nfs/dbraw/zinc/04/28/05/310042805.db2.gz DTRWYTQCWFPPFP-QGZVFWFLSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)CC(C)(C)C)CC1 ZINC000449201089 310044119 /nfs/dbraw/zinc/04/41/19/310044119.db2.gz CMDLWNKPTMVIRX-YLJYHZDGSA-N 2 0 332.532 3.469 10 0 EGAERP CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212066 310044840 /nfs/dbraw/zinc/04/48/40/310044840.db2.gz IJAFNSPWSIYDFJ-IAGOWNOFSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)sc1Cl ZINC000449251086 310047647 /nfs/dbraw/zinc/04/76/47/310047647.db2.gz QRTFUWIBKYGJER-LLVKDONJSA-N 2 0 336.332 3.171 10 0 EGAERP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449250154 310047653 /nfs/dbraw/zinc/04/76/53/310047653.db2.gz OBGYLLQYDTULAW-KRWDZBQOSA-N 2 0 344.499 3.015 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOC(F)F)CC1 ZINC000449306228 310051956 /nfs/dbraw/zinc/05/19/56/310051956.db2.gz KIFLFZDYYHCAIH-HNNXBMFYSA-N 2 0 326.431 3.301 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@@H]2C)CC1 ZINC000449346437 310055671 /nfs/dbraw/zinc/05/56/71/310055671.db2.gz ZHGAFTNNQZBXKH-UEXGIBASSA-N 2 0 330.516 3.223 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449512727 310068355 /nfs/dbraw/zinc/06/83/55/310068355.db2.gz QBHZESOBCSBYOI-FFGOWVMKSA-N 2 0 344.499 3.218 10 0 EGAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453117698 310258979 /nfs/dbraw/zinc/25/89/79/310258979.db2.gz ZMUURYDLZSIYKC-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@H]31)O[C@H](C)C2 ZINC000513754773 312217511 /nfs/dbraw/zinc/21/75/11/312217511.db2.gz NIOIAUHYPYPSQG-ZWQIFLOQSA-N 2 0 344.499 3.371 10 0 EGAERP Cc1cncn1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@H]2C)cc1 ZINC000528025638 313002509 /nfs/dbraw/zinc/00/25/09/313002509.db2.gz XOANRGKHSZRVJQ-OAHLLOKOSA-N 2 0 326.444 3.205 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC(F)(F)C1 ZINC000529544997 313351746 /nfs/dbraw/zinc/35/17/46/313351746.db2.gz YMUFENWYBITDJK-KDOFPFPSSA-N 2 0 338.442 3.167 10 0 EGAERP Cc1cc(C)cc(OCCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242500 313504113 /nfs/dbraw/zinc/50/41/13/313504113.db2.gz UCROLNLJCBFYCC-HXUWFJFHSA-N 2 0 346.515 3.163 10 0 EGAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](CCN2CCCc3ccccc32)C1 ZINC000534869908 314004071 /nfs/dbraw/zinc/00/40/71/314004071.db2.gz WOCARJSULOOZNU-LJQANCHMSA-N 2 0 327.516 3.103 10 0 EGAERP Cc1cc([C@@H]([NH2+]CCCC[NH+]2CCN(C)CC2)C2CC2)ccc1F ZINC000539164606 314299701 /nfs/dbraw/zinc/29/97/01/314299701.db2.gz XGLPYCSTVIFNKV-FQEVSTJZSA-N 2 0 333.495 3.202 10 0 EGAERP Cc1cc([C@@H]([NH2+]CCCN2CCC[N@@H+](C)CC2)C2CC2)ccc1F ZINC000539199814 314301060 /nfs/dbraw/zinc/30/10/60/314301060.db2.gz LZSFREULEOQXHJ-FQEVSTJZSA-N 2 0 333.495 3.202 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+](C)[C@H](C)C3)c2)C[C@H](C)O1 ZINC000539687459 314328761 /nfs/dbraw/zinc/32/87/61/314328761.db2.gz DDZVDRKWSHQMAJ-PDOICOKGSA-N 2 0 331.504 3.190 10 0 EGAERP O=C(CC[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)Nc1ccccc1 ZINC000548825849 315052599 /nfs/dbraw/zinc/05/25/99/315052599.db2.gz COEGROQFTMVPGD-UHFFFAOYSA-N 2 0 337.467 3.401 10 0 EGAERP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](c2ccc(F)cc2)O1 ZINC000565093687 316263660 /nfs/dbraw/zinc/26/36/60/316263660.db2.gz OQYHYMWWEQEVSL-BTYIYWSLSA-N 2 0 340.442 3.433 10 0 EGAERP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000569473938 316920893 /nfs/dbraw/zinc/92/08/93/316920893.db2.gz AAQSHNBEIOJLER-HGHGUNKESA-N 2 0 344.499 3.021 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000569940864 316986803 /nfs/dbraw/zinc/98/68/03/316986803.db2.gz IYBIOPXDJIMBTO-GQGSAGHOSA-N 2 0 341.421 3.099 10 0 EGAERP CCC1(C[NH2+]C[C@H](O)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000579228519 325080534 /nfs/dbraw/zinc/08/05/34/325080534.db2.gz QVOMTNKUBWNTDZ-INIZCTEOSA-N 2 0 344.421 3.192 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CCC2 ZINC000580250151 325223173 /nfs/dbraw/zinc/22/31/73/325223173.db2.gz YTHNQLABGOQCDA-BXUZGUMPSA-N 2 0 336.361 3.348 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@@H]1CCc3nc[nH]c3C1)CCC2 ZINC000580250153 325223233 /nfs/dbraw/zinc/22/32/33/325223233.db2.gz YTHNQLABGOQCDA-RISCZKNCSA-N 2 0 336.361 3.348 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H](C)CN(C)C(C)C)CC3 ZINC000580368200 325240036 /nfs/dbraw/zinc/24/00/36/325240036.db2.gz DPMJXEKWYNXXQZ-HUUCEWRRSA-N 2 0 329.488 3.352 10 0 EGAERP C[C@H](CCc1cccc(F)c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183271497 455266800 /nfs/dbraw/zinc/26/68/00/455266800.db2.gz IAWPLQWMYRNBJH-WIYYLYMNSA-N 2 0 347.522 3.249 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)CC1(C)C ZINC000623470278 460565607 /nfs/dbraw/zinc/56/56/07/460565607.db2.gz HGOUHPAQXCNIOF-IBGZPJMESA-N 2 0 346.515 3.345 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000623477850 460570465 /nfs/dbraw/zinc/57/04/65/460570465.db2.gz ULXLXQAMISBJPO-JLSDUUJJSA-N 2 0 337.458 3.172 10 0 EGAERP Cc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000069490712 454111921 /nfs/dbraw/zinc/11/19/21/454111921.db2.gz KBAJKBQUNHLMOX-HXUWFJFHSA-N 2 0 328.456 3.123 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(O)c2)CC1 ZINC000088698290 454116473 /nfs/dbraw/zinc/11/64/73/454116473.db2.gz AUQKRJNHNWQVHD-UHFFFAOYSA-N 2 0 339.483 3.214 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)cc(C)c1O ZINC000069711367 454136124 /nfs/dbraw/zinc/13/61/24/454136124.db2.gz BGHREVOLTPKQOT-UHFFFAOYSA-N 2 0 328.456 3.239 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@@H](C)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000132490786 454343979 /nfs/dbraw/zinc/34/39/79/454343979.db2.gz MNMZTZKIOJJFHA-DOTOQJQBSA-N 2 0 335.561 3.159 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000132532904 454347245 /nfs/dbraw/zinc/34/72/45/454347245.db2.gz QSEPBDIKJIROJA-WOJBJXKFSA-N 2 0 339.483 3.448 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000121688648 454465427 /nfs/dbraw/zinc/46/54/27/454465427.db2.gz KFNSWOGTPBUAOJ-UHFFFAOYSA-N 2 0 343.559 3.405 10 0 EGAERP CCC(C)(C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737363 454475022 /nfs/dbraw/zinc/47/50/22/454475022.db2.gz LGXHEOXFGDURQY-QGZVFWFLSA-N 2 0 345.531 3.455 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000081094898 454685399 /nfs/dbraw/zinc/68/53/99/454685399.db2.gz KXHATTPSJKTVMA-HUUCEWRRSA-N 2 0 348.516 3.393 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]CC2=Cc3ccccc3OC2)ccc1F ZINC000115624272 455023572 /nfs/dbraw/zinc/02/35/72/455023572.db2.gz ALNWTAKQCSAFBS-UHFFFAOYSA-N 2 0 326.415 3.453 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000245432600 455297935 /nfs/dbraw/zinc/29/79/35/455297935.db2.gz OSCZJEJDNYFADX-WMZOPIPTSA-N 2 0 342.487 3.331 10 0 EGAERP CCCn1c(C)nnc1CN[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000183690135 455321714 /nfs/dbraw/zinc/32/17/14/455321714.db2.gz GKEAPVZAMKGNEU-CQSZACIVSA-N 2 0 338.459 3.341 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@H+]1[C@H](C)C(=O)Nc1ccc(Cl)cc1 ZINC000245903379 455396010 /nfs/dbraw/zinc/39/60/10/455396010.db2.gz BLFFTHPIWYSKAV-DYVFJYSZSA-N 2 0 346.862 3.337 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000265915159 455405600 /nfs/dbraw/zinc/40/56/00/455405600.db2.gz AIZMXXWMOPMUPJ-FXAWDEMLSA-N 2 0 345.531 3.331 10 0 EGAERP C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)C[NH+]1CCO[C@@H]2CCCC[C@@H]21 ZINC000246853603 455530327 /nfs/dbraw/zinc/53/03/27/455530327.db2.gz DDVHPDARDNMAIT-JVSBHGNQSA-N 2 0 336.520 3.053 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1 ZINC000268171132 455609232 /nfs/dbraw/zinc/60/92/32/455609232.db2.gz PSGXRUCNILCUNQ-LJQANCHMSA-N 2 0 331.504 3.085 10 0 EGAERP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192476922 455627608 /nfs/dbraw/zinc/62/76/08/455627608.db2.gz PEWHBMMIVAMKBX-HNNXBMFYSA-N 2 0 347.528 3.202 10 0 EGAERP CC1CC[NH+](CCCC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000192477575 455627747 /nfs/dbraw/zinc/62/77/47/455627747.db2.gz ZEQDQMNDZFXITM-UHFFFAOYSA-N 2 0 347.528 3.202 10 0 EGAERP C[N@@H+]1CCC[C@H]2CN(Cc3nc(-c4ccc(Cl)cc4)no3)CC[C@H]21 ZINC000247953534 455658941 /nfs/dbraw/zinc/65/89/41/455658941.db2.gz FHXUGFFDCWSECP-GOEBONIOSA-N 2 0 346.862 3.306 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000248145331 455688159 /nfs/dbraw/zinc/68/81/59/455688159.db2.gz QCDRPBSDODCUOV-FXAWDEMLSA-N 2 0 336.495 3.485 10 0 EGAERP c1csc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000192787163 455693292 /nfs/dbraw/zinc/69/32/92/455693292.db2.gz ZWCTVRMAGPCTKS-AYHJJNSGSA-N 2 0 327.497 3.471 10 0 EGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271742178 455741806 /nfs/dbraw/zinc/74/18/06/455741806.db2.gz QJSZARJYFDFDDG-HXUWFJFHSA-N 2 0 333.495 3.140 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@@H]1C ZINC000268961043 455745178 /nfs/dbraw/zinc/74/51/78/455745178.db2.gz XGMSHSKLGUUKLK-MGPUTAFESA-N 2 0 327.472 3.334 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@H](C)C1 ZINC000188000896 455978256 /nfs/dbraw/zinc/97/82/56/455978256.db2.gz KCPVECSVZGCZLY-DNVCBOLYSA-N 2 0 335.923 3.018 10 0 EGAERP COc1ccc(C[N@H+](CCc2ccccn2)C[C@@]2(C)CC[NH2+]C2)cc1 ZINC000261998200 455983748 /nfs/dbraw/zinc/98/37/48/455983748.db2.gz LAWYHBSQDNBCSL-NRFANRHFSA-N 2 0 339.483 3.135 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000280743329 456042990 /nfs/dbraw/zinc/04/29/90/456042990.db2.gz ORZILDYBBADBJA-SUMWQHHRSA-N 2 0 329.419 3.303 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000620625270 460710722 /nfs/dbraw/zinc/71/07/22/460710722.db2.gz FNDVXVHQENPUQB-UHFFFAOYSA-N 2 0 331.504 3.133 10 0 EGAERP O=C(NC1CC[NH+](C2CCC2)CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000297255950 456164199 /nfs/dbraw/zinc/16/41/99/456164199.db2.gz UIZIOTDJDDRQPD-UHFFFAOYSA-N 2 0 341.499 3.029 10 0 EGAERP CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000273190119 456208093 /nfs/dbraw/zinc/20/80/93/456208093.db2.gz GPVTVYMDMSJMIV-RCVZYCBYSA-N 2 0 338.499 3.464 10 0 EGAERP C[N@@H+]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C[C@H]1Cc1ccccc1 ZINC000297557813 456251787 /nfs/dbraw/zinc/25/17/87/456251787.db2.gz GYYSNQRGNSPONB-DHIUTWEWSA-N 2 0 349.522 3.120 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000352836773 456351564 /nfs/dbraw/zinc/35/15/64/456351564.db2.gz XNOJMAFLQGFCCQ-QFBILLFUSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657826391 462285324 /nfs/dbraw/zinc/28/53/24/462285324.db2.gz SZQNWKPLUQUBBC-INIZCTEOSA-N 2 0 339.474 3.074 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322107536 456644190 /nfs/dbraw/zinc/64/41/90/456644190.db2.gz NSVQTMVDCMDWPR-ZBFHGGJFSA-N 2 0 335.879 3.051 10 0 EGAERP C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000325315070 456681185 /nfs/dbraw/zinc/68/11/85/456681185.db2.gz BKEVTJMXUWCXRO-FUHWJXTLSA-N 2 0 329.488 3.247 10 0 EGAERP Fc1ccc(/C=C/CN(Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1 ZINC000328621467 456722727 /nfs/dbraw/zinc/72/27/27/456722727.db2.gz ANACYJUMLVUTBS-GVTIMSHASA-N 2 0 325.431 3.346 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(-n3ccnc3)cc2)CC1 ZINC000343585930 456725562 /nfs/dbraw/zinc/72/55/62/456725562.db2.gz XGIKGPUYDGDFOB-UHFFFAOYSA-N 2 0 326.488 3.426 10 0 EGAERP Cc1cc(N2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c2ccccc2[nH+]1 ZINC000301185796 456816582 /nfs/dbraw/zinc/81/65/82/456816582.db2.gz JVIQEVGSPVVCMV-SFHVURJKSA-N 2 0 338.499 3.150 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292162865 456872628 /nfs/dbraw/zinc/87/26/28/456872628.db2.gz OTBOECCCGUPZNX-KKSFZXQISA-N 2 0 337.467 3.194 10 0 EGAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H]1C ZINC000353929137 456969535 /nfs/dbraw/zinc/96/95/35/456969535.db2.gz DBDPAOYBYHKWRU-FFZOFVMBSA-N 2 0 344.499 3.350 10 0 EGAERP CCCCn1c(SC[C@@H](C)[NH+](C)C)nnc1[C@@H](CC)N(C)C ZINC000358858480 457008782 /nfs/dbraw/zinc/00/87/82/457008782.db2.gz AHOUPHTZZRPKNE-ZIAGYGMSSA-N 2 0 327.542 3.133 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1NC(C)=O ZINC000356775846 457162041 /nfs/dbraw/zinc/16/20/41/457162041.db2.gz LQUWIYJWDZCXAI-CQSZACIVSA-N 2 0 333.476 3.036 10 0 EGAERP c1cn(-c2cccc(-c3noc(Cc4cn5c(n4)CCCC5)n3)c2)cn1 ZINC000351441520 457289625 /nfs/dbraw/zinc/28/96/25/457289625.db2.gz OQKUEAQDQHZYIG-UHFFFAOYSA-N 2 0 346.394 3.046 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1cc2ccccc2o1)C(=O)NCC[NH+](C)C ZINC000347212180 457291152 /nfs/dbraw/zinc/29/11/52/457291152.db2.gz VFNXDYKOWAJITJ-RDJZCZTQSA-N 2 0 345.487 3.176 10 0 EGAERP C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1nccn1C ZINC000347254048 457312208 /nfs/dbraw/zinc/31/22/08/457312208.db2.gz GEJMVOLOQVEVHJ-XHSDSOJGSA-N 2 0 328.460 3.202 10 0 EGAERP c1cc(-c2ccc(CNC[C@H]3CC[N@H+](Cc4ccccc4)C3)o2)n[nH]1 ZINC000355221074 457348500 /nfs/dbraw/zinc/34/85/00/457348500.db2.gz NTRIVFRZGMPBEE-QGZVFWFLSA-N 2 0 336.439 3.281 10 0 EGAERP C[C@@H]1CC[C@H](C)[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397497236 457487556 /nfs/dbraw/zinc/48/75/56/457487556.db2.gz CHGSTZJBIIDKAY-HBFSDRIKSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@@H]1CC(C)(C)C[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397554946 457488383 /nfs/dbraw/zinc/48/83/83/457488383.db2.gz KVVSYUPLVDGHIU-IEBWSBKVSA-N 2 0 330.516 3.428 10 0 EGAERP CC(C)n1cncc1C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1 ZINC000397545093 457488563 /nfs/dbraw/zinc/48/85/63/457488563.db2.gz NSAKREIWTJELBM-UHFFFAOYSA-N 2 0 326.488 3.466 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000397573518 457488923 /nfs/dbraw/zinc/48/89/23/457488923.db2.gz ZUZCRCSHUQWBNJ-GGPKGHCWSA-N 2 0 330.516 3.428 10 0 EGAERP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000425363755 457519617 /nfs/dbraw/zinc/51/96/17/457519617.db2.gz YAVOLEBIGIDKBX-PMACEKPBSA-N 2 0 347.572 3.068 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000400912827 457520656 /nfs/dbraw/zinc/52/06/56/457520656.db2.gz CCAXNWGTZVDHCD-JJAZEVLHSA-N 2 0 337.305 3.358 10 0 EGAERP CCCCOC(=O)[C@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000374320159 457583328 /nfs/dbraw/zinc/58/33/28/457583328.db2.gz GCUIBDKWGPAFDC-HOTGVXAUSA-N 2 0 333.476 3.131 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433057885 457655510 /nfs/dbraw/zinc/65/55/10/457655510.db2.gz NKCWTMQFWDNCCI-AZUAARDMSA-N 2 0 342.527 3.429 10 0 EGAERP CC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(OC)c1 ZINC000358246200 457883859 /nfs/dbraw/zinc/88/38/59/457883859.db2.gz JUPPMRHNILBLNC-IBGZPJMESA-N 2 0 343.471 3.272 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000368106996 458011704 /nfs/dbraw/zinc/01/17/04/458011704.db2.gz CIINZDDAYGRKHJ-ZZPLLCAGSA-N 2 0 331.548 3.222 10 0 EGAERP C[NH+](C)CCOc1ccc(NC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC000358603073 458103212 /nfs/dbraw/zinc/10/32/12/458103212.db2.gz PRPFYRLAEGGDAL-UHFFFAOYSA-N 2 0 347.503 3.078 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000446571728 458199155 /nfs/dbraw/zinc/19/91/55/458199155.db2.gz GXBBFJKSSRKQDE-UHFFFAOYSA-N 2 0 346.519 3.034 10 0 EGAERP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccccc1 ZINC000428849290 458222330 /nfs/dbraw/zinc/22/23/30/458222330.db2.gz KCIFGVBUVJOPRQ-KRWDZBQOSA-N 2 0 343.515 3.201 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000447722631 458334084 /nfs/dbraw/zinc/33/40/84/458334084.db2.gz JZXIXEMUOJRPBH-BBRMVZONSA-N 2 0 333.476 3.177 10 0 EGAERP C[NH+](C)[C@H]1CCC[N@H+](C[C@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000429535088 458341784 /nfs/dbraw/zinc/34/17/84/458341784.db2.gz HAMVNQHASYZHBQ-JKSUJKDBSA-N 2 0 344.421 3.025 10 0 EGAERP c1cn(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)cn1 ZINC000459362156 458344364 /nfs/dbraw/zinc/34/43/64/458344364.db2.gz GXQKNCLVANBRPY-UHFFFAOYSA-N 2 0 336.443 3.047 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663291 458440046 /nfs/dbraw/zinc/44/00/46/458440046.db2.gz WTVWMGNUIKHCSQ-VQIMIIECSA-N 2 0 326.488 3.467 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cnc2ccsc2c1 ZINC000423526411 458451130 /nfs/dbraw/zinc/45/11/30/458451130.db2.gz ZGZOXYRUODIOMP-OOHWJJMZSA-N 2 0 344.528 3.163 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1C ZINC000423527021 458451999 /nfs/dbraw/zinc/45/19/99/458451999.db2.gz LWZRCZGENKAULA-PBBQMCQCSA-N 2 0 348.531 3.098 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000459746975 458467530 /nfs/dbraw/zinc/46/75/30/458467530.db2.gz ZIYMFDPSIWEDMV-ZBFHGGJFSA-N 2 0 333.476 3.036 10 0 EGAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000460198386 458505438 /nfs/dbraw/zinc/50/54/38/458505438.db2.gz WBYVAQBAOFJDJT-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799637 458532678 /nfs/dbraw/zinc/53/26/78/458532678.db2.gz XFRXRLBESGPWPQ-CADBVGFASA-N 2 0 336.483 3.052 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000431721628 458613138 /nfs/dbraw/zinc/61/31/38/458613138.db2.gz IJGTURYMQUYYGP-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP c1ccc(CC[NH+]2CCC(NC[C@H]3CCCC[N@@H+]3C3CC3)CC2)cc1 ZINC000463246480 458685991 /nfs/dbraw/zinc/68/59/91/458685991.db2.gz DFBZJUZLXZNXDD-JOCHJYFZSA-N 2 0 341.543 3.300 10 0 EGAERP CC[NH+](CC)Cc1cc([C@@H](C)N[C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216949 458720187 /nfs/dbraw/zinc/72/01/87/458720187.db2.gz QYQBOROPVOCMIJ-UZLBHIALSA-N 2 0 345.531 3.472 10 0 EGAERP C[NH+](C)[C@@H]1CCc2cc(NC(=O)c3cc(-n4ccnc4)ccn3)ccc21 ZINC000566662788 458978249 /nfs/dbraw/zinc/97/82/49/458978249.db2.gz DSTFCUCHXMRGGV-LJQANCHMSA-N 2 0 347.422 3.069 10 0 EGAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970023 459009937 /nfs/dbraw/zinc/00/99/37/459009937.db2.gz YIYMURNPVGATAL-UGKGYDQZSA-N 2 0 343.559 3.261 10 0 EGAERP O=C(NCC[C@H]1CCC[NH2+]C1)Nc1cccc(Oc2ccncc2)c1 ZINC000556958223 459037431 /nfs/dbraw/zinc/03/74/31/459037431.db2.gz HMGGDEGEXGFMMV-OAHLLOKOSA-N 2 0 340.427 3.385 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000567138220 459054128 /nfs/dbraw/zinc/05/41/28/459054128.db2.gz HXVNFAGTTOYABW-MRXNPFEDSA-N 2 0 341.499 3.355 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000567684359 459145151 /nfs/dbraw/zinc/14/51/51/459145151.db2.gz HLVKHNMLTZLDFN-RTBURBONSA-N 2 0 348.531 3.117 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC1([NH+](C)C)CCCC1 ZINC000480146125 459185690 /nfs/dbraw/zinc/18/56/90/459185690.db2.gz VWZPZRLPZWRYLC-ICSRJNTNSA-N 2 0 329.532 3.361 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]Cc1ccc(C[NH3+])cc1 ZINC000568391665 459279640 /nfs/dbraw/zinc/27/96/40/459279640.db2.gz JAKUDUQFDQBBKN-UHFFFAOYSA-N 2 0 335.245 3.206 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000541575045 459469222 /nfs/dbraw/zinc/46/92/22/459469222.db2.gz SGRWICGTZVUAMO-PKOBYXMFSA-N 2 0 345.531 3.324 10 0 EGAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350941 459717578 /nfs/dbraw/zinc/71/75/78/459717578.db2.gz JFGYGRVPOGSWIF-LSDHHAIUSA-N 2 0 327.476 3.276 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCN1C1CCCCC1 ZINC000527752547 459724615 /nfs/dbraw/zinc/72/46/15/459724615.db2.gz OFXAYHSSIPBZHO-HXUWFJFHSA-N 2 0 339.487 3.072 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCN1C1CCCCC1 ZINC000527752545 459725358 /nfs/dbraw/zinc/72/53/58/459725358.db2.gz OFXAYHSSIPBZHO-FQEVSTJZSA-N 2 0 339.487 3.072 10 0 EGAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527889059 459766362 /nfs/dbraw/zinc/76/63/62/459766362.db2.gz XXJGCGBIVZXCOD-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP COc1ccc(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000527988291 459789092 /nfs/dbraw/zinc/78/90/92/459789092.db2.gz CVSQUFQPIGUELV-PXNSSMCTSA-N 2 0 339.483 3.133 10 0 EGAERP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000574529932 459830765 /nfs/dbraw/zinc/83/07/65/459830765.db2.gz NTNBYWSOGXJPKQ-DOTOQJQBSA-N 2 0 345.487 3.022 10 0 EGAERP COC(=O)c1cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613905 459994012 /nfs/dbraw/zinc/99/40/12/459994012.db2.gz PYQIRRRWGAKXIW-WBVHZDCISA-N 2 0 348.487 3.461 10 0 EGAERP OCc1ccc(F)c(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c1 ZINC000625082009 460025851 /nfs/dbraw/zinc/02/58/51/460025851.db2.gz WWKRRLVIEJCOMC-UHFFFAOYSA-N 2 0 334.479 3.406 10 0 EGAERP [NH3+]C[C@H]1CC[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000575894969 460029704 /nfs/dbraw/zinc/02/97/04/460029704.db2.gz UPDIRLZPKGGXPT-DOTOQJQBSA-N 2 0 339.487 3.277 10 0 EGAERP Cc1oc(-c2ccsc2)nc1C[NH+]1CCC([C@@H]2OCC[C@H]2[NH3+])CC1 ZINC000576350107 460123879 /nfs/dbraw/zinc/12/38/79/460123879.db2.gz FKRFZJUMICQTFV-WBVHZDCISA-N 2 0 347.484 3.040 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+](C)C2CCCCC2)o1 ZINC000622063715 460177170 /nfs/dbraw/zinc/17/71/70/460177170.db2.gz AYYUCPJVZHBTCF-UHFFFAOYSA-N 2 0 335.492 3.116 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)Nc2cnc3c(C)cccn23)o1 ZINC000619012520 460248165 /nfs/dbraw/zinc/24/81/65/460248165.db2.gz CQPMMSMUORXKGD-UHFFFAOYSA-N 2 0 326.400 3.330 10 0 EGAERP Cc1cc(C)n(-c2ccc(CC[NH2+][C@@H]3CC[N@@H+](C)C(C)(C)C3)cc2)n1 ZINC000623358273 460510150 /nfs/dbraw/zinc/51/01/50/460510150.db2.gz WPJCLSXTKZPFGT-LJQANCHMSA-N 2 0 340.515 3.494 10 0 EGAERP COc1ccc(C2(C[NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CCOCC2)cc1 ZINC000623374586 460515014 /nfs/dbraw/zinc/51/50/14/460515014.db2.gz FZSWKBCKBWKNIO-SFHVURJKSA-N 2 0 346.515 3.206 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386359 460521250 /nfs/dbraw/zinc/52/12/50/460521250.db2.gz SRRUGVPICFFCOX-DLBZAZTESA-N 2 0 335.561 3.423 10 0 EGAERP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)C(F)F ZINC000631700222 460522455 /nfs/dbraw/zinc/52/24/55/460522455.db2.gz DQTTYQKVDUXIJL-BSDSXHPESA-N 2 0 338.442 3.035 10 0 EGAERP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)C(F)F ZINC000631700232 460522516 /nfs/dbraw/zinc/52/25/16/460522516.db2.gz DQTTYQKVDUXIJL-ZJPYXAASSA-N 2 0 338.442 3.035 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)CC1(C)C ZINC000623425272 460542552 /nfs/dbraw/zinc/54/25/52/460542552.db2.gz WXNLHLUDIQTALO-OAHLLOKOSA-N 2 0 330.501 3.210 10 0 EGAERP C[C@H](NC[C@@H]1CCCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000624123184 460873326 /nfs/dbraw/zinc/87/33/26/460873326.db2.gz HJHXRFBMWYSSGH-IRXDYDNUSA-N 2 0 326.488 3.470 10 0 EGAERP Cc1cc2c(c(-c3ccccc3C[NH+]3CCN(C)CC3)c1)CC[NH2+]C2 ZINC000629736244 460897514 /nfs/dbraw/zinc/89/75/14/460897514.db2.gz MLXXVAHZHIBVAW-UHFFFAOYSA-N 2 0 335.495 3.055 10 0 EGAERP CO[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000624310828 460952984 /nfs/dbraw/zinc/95/29/84/460952984.db2.gz LGPAMNIJBMSNQD-JRSUCEMESA-N 2 0 328.500 3.302 10 0 EGAERP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662297202 461174789 /nfs/dbraw/zinc/17/47/89/461174789.db2.gz OIIYZOJTHMKDKQ-HKUYNNGSSA-N 2 0 343.515 3.140 10 0 EGAERP C[NH+](C)CCN(CC[NH+](C)C)C(=O)c1cc(Cl)cc2ccccc21 ZINC000668302971 461237726 /nfs/dbraw/zinc/23/77/26/461237726.db2.gz VUWXTZSCNTVAMS-UHFFFAOYSA-N 2 0 347.890 3.059 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2c3c(nn2C)CCCC3)c1 ZINC000631044656 461498066 /nfs/dbraw/zinc/49/80/66/461498066.db2.gz UNKREJIUISQRKY-UHFFFAOYSA-N 2 0 340.515 3.431 10 0 EGAERP Cc1cc(C[NH2+]CC(C)(C)N2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000666220027 461514549 /nfs/dbraw/zinc/51/45/49/461514549.db2.gz XWTRPLDVUFZJEM-UHFFFAOYSA-N 2 0 343.437 3.129 10 0 EGAERP CC(C)Cn1nccc1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000647168783 461537121 /nfs/dbraw/zinc/53/71/21/461537121.db2.gz LLXYLVNIFVCBNN-UHFFFAOYSA-N 2 0 326.488 3.425 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]Cc2ccc(-n3cccn3)cc2)[C@H](c2ccccc2)C1 ZINC000647248741 461587841 /nfs/dbraw/zinc/58/78/41/461587841.db2.gz ZDEAWAVWJBLRIU-IRLDBZIGSA-N 2 0 346.478 3.307 10 0 EGAERP CC1(C)CCCN(c2ccnc(NCc3ccn4ccnc4c3)n2)C1 ZINC000656147178 461622963 /nfs/dbraw/zinc/62/29/63/461622963.db2.gz ADEZTMQVGSNKRA-UHFFFAOYSA-N 2 0 336.443 3.363 10 0 EGAERP [NH3+][C@H]1CCC[C@H]1[NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199757 461643588 /nfs/dbraw/zinc/64/35/88/461643588.db2.gz BZDVBQSRFMOXMG-LSDHHAIUSA-N 2 0 328.378 3.476 10 0 EGAERP COc1c(C)cccc1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656199685 461643840 /nfs/dbraw/zinc/64/38/40/461643840.db2.gz AXPPKXSBZCRHNH-RXVVDRJESA-N 2 0 338.451 3.349 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663596288 461719345 /nfs/dbraw/zinc/71/93/45/461719345.db2.gz UVARNAQJDHPCHE-KRWDZBQOSA-N 2 0 344.503 3.040 10 0 EGAERP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)s2)cn1 ZINC000647479783 461725116 /nfs/dbraw/zinc/72/51/16/461725116.db2.gz UMILQKBOJXTDQW-PBHICJAKSA-N 2 0 330.501 3.113 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542877 461757626 /nfs/dbraw/zinc/75/76/26/461757626.db2.gz DHFSOZBDVJGEHN-DLBZAZTESA-N 2 0 342.512 3.417 10 0 EGAERP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647550483 461763262 /nfs/dbraw/zinc/76/32/62/461763262.db2.gz SMRLYDWYBWATTF-TYNCELHUSA-N 2 0 327.241 3.066 10 0 EGAERP COc1cc2cc[nH+]c(N3CCC[C@@H]4C[N@H+](C)CC[C@H]43)c2cc1OC ZINC000663729526 461776293 /nfs/dbraw/zinc/77/62/93/461776293.db2.gz QLGQCZIEVMXISJ-NVXWUHKLSA-N 2 0 341.455 3.173 10 0 EGAERP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC000647789527 461835461 /nfs/dbraw/zinc/83/54/61/461835461.db2.gz GYGVECWQADDCRL-LZLYRXPVSA-N 2 0 341.430 3.491 10 0 EGAERP C[C@@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656679330 461838304 /nfs/dbraw/zinc/83/83/04/461838304.db2.gz XFERDAHZISDMBN-SFHVURJKSA-N 2 0 330.516 3.488 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800432 461843877 /nfs/dbraw/zinc/84/38/77/461843877.db2.gz BAFLQUFBFDALMM-CJNGLKHVSA-N 2 0 343.496 3.443 10 0 EGAERP CO[C@@H](C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000639330886 461864517 /nfs/dbraw/zinc/86/45/17/461864517.db2.gz YFQFJOXCBFRWPG-UXHICEINSA-N 2 0 328.500 3.303 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713746 461906400 /nfs/dbraw/zinc/90/64/00/461906400.db2.gz ADQYJYXVXHFNLG-LLVKDONJSA-N 2 0 329.257 3.238 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000650744084 461929050 /nfs/dbraw/zinc/92/90/50/461929050.db2.gz FYHVCFXXCCLGOJ-CQSZACIVSA-N 2 0 327.241 3.294 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1sc(CCOC)nc1C ZINC000650757299 461937803 /nfs/dbraw/zinc/93/78/03/461937803.db2.gz UFSUGZDUTPXSLG-CYBMUJFWSA-N 2 0 333.501 3.211 10 0 EGAERP CCN(CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657295466 462024829 /nfs/dbraw/zinc/02/48/29/462024829.db2.gz CPNYCZWRNVUYFL-UHFFFAOYSA-N 2 0 335.455 3.274 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCCC2 ZINC000657381110 462085559 /nfs/dbraw/zinc/08/55/59/462085559.db2.gz CRQJPVJXHWZLDB-ZWKOTPCHSA-N 2 0 326.444 3.095 10 0 EGAERP c1cc(CNC2CC[NH+](C3CCCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657385671 462088189 /nfs/dbraw/zinc/08/81/89/462088189.db2.gz XADDJUYYINXYLG-UHFFFAOYSA-N 2 0 339.487 3.154 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(CC)CC ZINC000657390501 462092261 /nfs/dbraw/zinc/09/22/61/462092261.db2.gz WSDZLEIDSFJWPS-ZWKOTPCHSA-N 2 0 328.460 3.341 10 0 EGAERP CC(C)(CNCc1c(F)cncc1Br)C[NH+]1CCCC1 ZINC000657446511 462129345 /nfs/dbraw/zinc/12/93/45/462129345.db2.gz JMFPSPJSMFRITJ-UHFFFAOYSA-N 2 0 344.272 3.195 10 0 EGAERP CC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000657463586 462139106 /nfs/dbraw/zinc/13/91/06/462139106.db2.gz OSXFTSOCBBIBJY-WJXKREEZSA-N 2 0 335.536 3.019 10 0 EGAERP CC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000657463583 462139226 /nfs/dbraw/zinc/13/92/26/462139226.db2.gz OSXFTSOCBBIBJY-SCIMBWJRSA-N 2 0 335.536 3.019 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4cc[nH]c43)cc2)C1 ZINC000657596627 462196465 /nfs/dbraw/zinc/19/64/65/462196465.db2.gz XZVRMXRUFGFICT-HXUWFJFHSA-N 2 0 335.451 3.024 10 0 EGAERP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000667664422 462197412 /nfs/dbraw/zinc/19/74/12/462197412.db2.gz KWOZQXVFDWGTFO-QRVBRYPASA-N 2 0 340.471 3.293 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)COC)cc2)[C@@H](C)C1 ZINC000667666749 462201404 /nfs/dbraw/zinc/20/14/04/462201404.db2.gz XBRJRQVETQISLS-ZWOKBUDYSA-N 2 0 334.504 3.262 10 0 EGAERP CC1(C)C[N@@H+]([C@@H]2CCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837092 462210614 /nfs/dbraw/zinc/21/06/14/462210614.db2.gz MMCFCVMBRWNGTF-UXHICEINSA-N 2 0 328.500 3.398 10 0 EGAERP CCO[C@H]1C[C@@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000667704378 462222379 /nfs/dbraw/zinc/22/23/79/462222379.db2.gz IDESPIYYXBXPFK-MSOLQXFVSA-N 2 0 326.444 3.047 10 0 EGAERP Cc1n[nH]c(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772185 462260087 /nfs/dbraw/zinc/26/00/87/462260087.db2.gz SESOBZZBBRIHPT-IBGZPJMESA-N 2 0 338.499 3.418 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC(OC(F)F)CC2)cc1 ZINC000648817374 462290798 /nfs/dbraw/zinc/29/07/98/462290798.db2.gz PNCYHFPLNQAZNA-UHFFFAOYSA-N 2 0 342.430 3.267 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000657873923 462304794 /nfs/dbraw/zinc/30/47/94/462304794.db2.gz OPDFBCSXFTYYTE-GOSISDBHSA-N 2 0 334.529 3.019 10 0 EGAERP C[C@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657955894 462327861 /nfs/dbraw/zinc/32/78/61/462327861.db2.gz QZLPHLSOHPJSDB-AWEZNQCLSA-N 2 0 337.427 3.148 10 0 EGAERP c1ccc2c(CC[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232891 462360969 /nfs/dbraw/zinc/36/09/69/462360969.db2.gz XGMSEDFKNYXKDA-NQIIRXRSSA-N 2 0 349.434 3.216 10 0 EGAERP CCc1cccnc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068767 462366426 /nfs/dbraw/zinc/36/64/26/462366426.db2.gz ZEJRGGGQVYLTCF-INIZCTEOSA-N 2 0 331.504 3.186 10 0 EGAERP c1ccc2c(c1)CCC[C@@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000658070064 462367796 /nfs/dbraw/zinc/36/77/96/462367796.db2.gz KNGMFAJBVOQSNY-OAQYLSRUSA-N 2 0 342.527 3.415 10 0 EGAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277338 462381838 /nfs/dbraw/zinc/38/18/38/462381838.db2.gz ZHHUWMQJGAIVRC-DFQSSKMNSA-N 2 0 327.516 3.019 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1)C1CCOCC1 ZINC000658097546 462383335 /nfs/dbraw/zinc/38/33/35/462383335.db2.gz UOAIFPBPSAOARD-DBVUQKKJSA-N 2 0 338.536 3.061 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1 ZINC000665285016 462384884 /nfs/dbraw/zinc/38/48/84/462384884.db2.gz AHOYOOQWHVYABQ-KRWDZBQOSA-N 2 0 345.531 3.451 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1ccc2ccccc2n1 ZINC000658106230 462386199 /nfs/dbraw/zinc/38/61/99/462386199.db2.gz GQCBKTNHAUSVAX-DLBZAZTESA-N 2 0 328.504 3.157 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCCC23CCCCC3)CC1 ZINC000665289207 462387200 /nfs/dbraw/zinc/38/72/00/462387200.db2.gz IXVVPKFRNIZZCP-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccncc1Cl ZINC000658134411 462399667 /nfs/dbraw/zinc/39/96/67/462399667.db2.gz AAIFYGSTVAZAKJ-PBHICJAKSA-N 2 0 345.874 3.152 10 0 EGAERP C[C@@H](Cc1ccccc1F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138820 462402905 /nfs/dbraw/zinc/40/29/05/462402905.db2.gz OLDAUFSODCDRRD-JXFKEZNVSA-N 2 0 342.458 3.113 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)C1 ZINC000658142623 462405687 /nfs/dbraw/zinc/40/56/87/462405687.db2.gz ZEPVLZVECWGSPM-DAWZGUTISA-N 2 0 338.442 3.167 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139848 462446996 /nfs/dbraw/zinc/44/69/96/462446996.db2.gz XCJSJKQBJKCGEV-OAQYLSRUSA-N 2 0 344.547 3.320 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139956 462447101 /nfs/dbraw/zinc/44/71/01/462447101.db2.gz ZTHPEHXOHGMPPG-WIYYLYMNSA-N 2 0 344.547 3.319 10 0 EGAERP Cc1cncc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)n1 ZINC000658262304 462447125 /nfs/dbraw/zinc/44/71/25/462447125.db2.gz QIYAICBBMNSOAJ-GOSISDBHSA-N 2 0 338.499 3.013 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CCC(O)CC2)CC1 ZINC000658281158 462454433 /nfs/dbraw/zinc/45/44/33/462454433.db2.gz BWIMKWBRKPEHIQ-OCDPCBSRSA-N 2 0 330.516 3.223 10 0 EGAERP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCC[C@@H]4CCOC4)C3)C2)cc1 ZINC000645910628 462464950 /nfs/dbraw/zinc/46/49/50/462464950.db2.gz SNEDZFWTYPPQMQ-NHCUHLMSSA-N 2 0 328.500 3.401 10 0 EGAERP CC1(C)OCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316821 462473301 /nfs/dbraw/zinc/47/33/01/462473301.db2.gz HKSZLBBBOLEEDM-OALUTQOASA-N 2 0 328.500 3.446 10 0 EGAERP OC1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658317523 462474530 /nfs/dbraw/zinc/47/45/30/462474530.db2.gz MATFXTJVRYPDQZ-HDYDNRTBSA-N 2 0 328.500 3.182 10 0 EGAERP CCn1c(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(F)ccc21 ZINC000649417783 462504691 /nfs/dbraw/zinc/50/46/91/462504691.db2.gz GWGGLWLDPJORCZ-JKSUJKDBSA-N 2 0 344.478 3.407 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)CC1(C)C ZINC000623389645 469640348 /nfs/dbraw/zinc/64/03/48/469640348.db2.gz SPTILLRFKFPLPZ-QGZVFWFLSA-N 2 0 339.487 3.018 10 0 EGAERP C[C@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1 ZINC000091739179 546665295 /nfs/dbraw/zinc/66/52/95/546665295.db2.gz UATMKXKXYXYNJA-AWEZNQCLSA-N 2 0 331.435 3.343 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@@H]3C2)cc1 ZINC000386526260 547823751 /nfs/dbraw/zinc/82/37/51/547823751.db2.gz OKGKJQUTGUZBNO-POHUPDAJSA-N 2 0 339.527 3.113 10 0 EGAERP C[C@H](COCc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000390557221 547828310 /nfs/dbraw/zinc/82/83/10/547828310.db2.gz IKWDUACUEKYQCG-QGZVFWFLSA-N 2 0 325.456 3.245 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000391181667 547830697 /nfs/dbraw/zinc/83/06/97/547830697.db2.gz JLAGAMVONWSDKM-KBXCAEBGSA-N 2 0 341.902 3.402 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000671312848 548277192 /nfs/dbraw/zinc/27/71/92/548277192.db2.gz XOEAJLGAIXBQRI-OAQYLSRUSA-N 2 0 344.499 3.164 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)c2c1 ZINC000671747283 548351583 /nfs/dbraw/zinc/35/15/83/548351583.db2.gz DBOXHMFRXLBQON-PWIZWCRZSA-N 2 0 327.472 3.181 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000673042408 548519553 /nfs/dbraw/zinc/51/95/53/548519553.db2.gz SEQRJMFRRHQNIA-SFHVURJKSA-N 2 0 347.503 3.220 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](c2cccnc2)C2CC2)cc1 ZINC000677521288 549284470 /nfs/dbraw/zinc/28/44/70/549284470.db2.gz QQCRYXPISBKFNI-HXUWFJFHSA-N 2 0 325.456 3.263 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@]3(CCCOC3)C2)cc1 ZINC000678277712 549455757 /nfs/dbraw/zinc/45/57/57/549455757.db2.gz NHMAFYFZWIMGSM-FQEVSTJZSA-N 2 0 332.488 3.020 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](Cc3ccncc3)C2)cc1 ZINC000680001915 549803984 /nfs/dbraw/zinc/80/39/84/549803984.db2.gz PJKJGKIDJIJFSA-FQEVSTJZSA-N 2 0 339.483 3.087 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)C2)CC1 ZINC000681976530 550056916 /nfs/dbraw/zinc/05/69/16/550056916.db2.gz XMJSASCVDPEZQK-AQNXPRMDSA-N 2 0 327.516 3.081 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cc3ccccc3[nH]2)(N2CCCCC2)CC1 ZINC000683930257 550275008 /nfs/dbraw/zinc/27/50/08/550275008.db2.gz YBOJWBBTGCMTDP-UHFFFAOYSA-N 2 0 340.515 3.208 10 0 EGAERP CC[NH+](CC)Cc1ccc(-c2nc(-c3ccn4c[nH+]cc4c3)no2)o1 ZINC000684116620 550292967 /nfs/dbraw/zinc/29/29/67/550292967.db2.gz JUCNZGRUTYMIDK-UHFFFAOYSA-N 2 0 337.383 3.486 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2cccnc2)CC1 ZINC000685456544 550418556 /nfs/dbraw/zinc/41/85/56/550418556.db2.gz XBWXPBDTMRCJNF-UHFFFAOYSA-N 2 0 333.439 3.350 10 0 EGAERP CC(C)[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000160767515 1294277170 /nfs/dbraw/zinc/27/71/70/1294277170.db2.gz GKGCCIAICJAQGG-RXVVDRJESA-N 2 0 329.532 3.359 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H]3CCOC4(CCCC4)C3)CC2)cc[nH+]1 ZINC000872047045 1296697590 /nfs/dbraw/zinc/69/75/90/1296697590.db2.gz OTWJJPDCSDFEKW-SFHVURJKSA-N 2 0 329.488 3.379 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000872060102 1296707055 /nfs/dbraw/zinc/70/70/55/1296707055.db2.gz MCXPOSWTGIZILK-IAGOWNOFSA-N 2 0 344.421 3.464 10 0 EGAERP CC[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@H]1CCCOC1 ZINC000872084013 1296724039 /nfs/dbraw/zinc/72/40/39/1296724039.db2.gz CMZVJERTJRJAIT-PMACEKPBSA-N 2 0 331.504 3.088 10 0 EGAERP COc1ccc([C@@H](C[NH3+])CN2CCC(C)([NH+]3CCCCC3)CC2)cc1 ZINC000872146111 1296766652 /nfs/dbraw/zinc/76/66/52/1296766652.db2.gz FZWKIAXXMZFTSO-IBGZPJMESA-N 2 0 345.531 3.078 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000311529997 1297108948 /nfs/dbraw/zinc/10/89/48/1297108948.db2.gz XTXVDMCTIJIYAU-SWLSCSKDSA-N 2 0 325.294 3.358 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873249379 1297390054 /nfs/dbraw/zinc/39/00/54/1297390054.db2.gz NCMBYXMTIWVJEW-DJPFJPOOSA-N 2 0 342.483 3.039 10 0 EGAERP C[C@@H]1C[C@@H](N2CCC[C@H]([NH2+]C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379687592 1297537646 /nfs/dbraw/zinc/53/76/46/1297537646.db2.gz FHHRVCMCAGKQCG-QMMLZNLJSA-N 2 0 327.516 3.256 10 0 EGAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](CCC4CC[NH2+]CC4)C3)CC2)cc1 ZINC000386575571 1297591813 /nfs/dbraw/zinc/59/18/13/1297591813.db2.gz YOWGSQGXSPZTPV-UHFFFAOYSA-N 3 0 341.543 3.364 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H]2C[C@@H](C)CN(C(=O)OC(C)(C)C)C2)CC1 ZINC000401738018 1297741966 /nfs/dbraw/zinc/74/19/66/1297741966.db2.gz DJBBWXMODMTQTB-WBVHZDCISA-N 2 0 339.524 3.096 10 0 EGAERP C[N@H+](Cc1ccccc1)C1(CNC(=O)CCCC[NH3+])CCCCC1 ZINC000714229324 1298273411 /nfs/dbraw/zinc/27/34/11/1298273411.db2.gz BWYMPKJFBLNLMZ-UHFFFAOYSA-N 2 0 331.504 3.067 10 0 EGAERP C[N@H+](CC[C@@H]1CCCC[NH2+]1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719948323 1298324467 /nfs/dbraw/zinc/32/44/67/1298324467.db2.gz RJHRJVVLBIKQKX-NRFANRHFSA-N 3 0 329.532 3.363 10 0 EGAERP c1cc(N2CC[NH+]3CCC[C@@H]3C2)ccc1N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883346654 1302404745 /nfs/dbraw/zinc/40/47/45/1302404745.db2.gz DTLTZLFEXGMEQE-HLAWJBBLSA-N 2 0 340.515 3.010 10 0 EGAERP COC(=O)[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000886495393 1303476394 /nfs/dbraw/zinc/47/63/94/1303476394.db2.gz WDZLVBFKTOVYSW-OALUTQOASA-N 2 0 330.472 3.104 10 0 EGAERP OC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3C[C@@H](C2)[N@H+](Cc2ccccc2)C3)CC1 ZINC000886541607 1303492476 /nfs/dbraw/zinc/49/24/76/1303492476.db2.gz YJNBKXOMTXQZPE-FCMAGTKHSA-N 2 0 328.500 3.180 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+]Cc3nccn3C3CC3)CC2)c1 ZINC000892752281 1305539198 /nfs/dbraw/zinc/53/91/98/1305539198.db2.gz FFMAWFVXRZQADO-UHFFFAOYSA-N 2 0 330.501 3.281 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]CC[C@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000894359461 1306360544 /nfs/dbraw/zinc/36/05/44/1306360544.db2.gz PKZRSDHIHFHSPP-MJGOQNOKSA-N 2 0 338.499 3.363 10 0 EGAERP C[C@H]1C[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000895559017 1309401342 /nfs/dbraw/zinc/40/13/42/1309401342.db2.gz YRISDDPUZDQKJR-OALUTQOASA-N 2 0 336.483 3.119 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCC[C@H]3CCO3)cc2)C[C@H](C)O1 ZINC000895739611 1309498369 /nfs/dbraw/zinc/49/83/69/1309498369.db2.gz DHHCOOGSKWVFND-UEXGIBASSA-N 2 0 346.515 3.297 10 0 EGAERP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858110065 1328684847 /nfs/dbraw/zinc/68/48/47/1328684847.db2.gz HWBFTUYFJFNWJQ-ZBFHGGJFSA-N 2 0 331.460 3.167 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3ccnc(F)c3)CC2)cc1 ZINC000858115434 1328687097 /nfs/dbraw/zinc/68/70/97/1328687097.db2.gz FTLIDDQEHYBKDN-UHFFFAOYSA-N 2 0 343.446 3.231 10 0 EGAERP C[C@@H]1[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCCN1C(=O)OC(C)(C)C ZINC000858179272 1328704349 /nfs/dbraw/zinc/70/43/49/1328704349.db2.gz KSHLGFCYKDXOSR-BZUAXINKSA-N 2 0 339.524 3.237 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000858227917 1328715686 /nfs/dbraw/zinc/71/56/86/1328715686.db2.gz SFJMSDRLCZYHJF-BBWFWOEESA-N 2 0 349.519 3.135 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)C1 ZINC000921528773 1322341746 /nfs/dbraw/zinc/34/17/46/1322341746.db2.gz ILTLPAQVXGFXQR-KRWDZBQOSA-N 2 0 344.478 3.374 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)C2)cc1 ZINC000921670524 1322375889 /nfs/dbraw/zinc/37/58/89/1322375889.db2.gz GNIWDMIWBBSLND-YUMYIRISSA-N 2 0 342.527 3.346 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)c1Cl ZINC000921689694 1322378839 /nfs/dbraw/zinc/37/88/39/1322378839.db2.gz KMMZIBFMEXJTBZ-GFCCVEGCSA-N 2 0 330.303 3.027 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](NCc2cc(C)cnc2Cl)[C@H](C)C1 ZINC000921747352 1322390517 /nfs/dbraw/zinc/39/05/17/1322390517.db2.gz NKZILUNPIUUHAK-WBVHZDCISA-N 2 0 339.911 3.270 10 0 EGAERP CS[C@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000921792367 1322398838 /nfs/dbraw/zinc/39/88/38/1322398838.db2.gz WYIGTFBPGXRMJU-MSOLQXFVSA-N 2 0 339.593 3.201 10 0 EGAERP CS[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000922235068 1322484586 /nfs/dbraw/zinc/48/45/86/1322484586.db2.gz QTXGWELGRPQVKH-WMZOPIPTSA-N 2 0 326.550 3.141 10 0 EGAERP COCc1c(C)cc(C)c(C[NH2+]C[C@@H]2CCN2C2CCOCC2)c1C ZINC000922954058 1322659538 /nfs/dbraw/zinc/65/95/38/1322659538.db2.gz GJSITJWQAQQURF-IBGZPJMESA-N 2 0 346.515 3.101 10 0 EGAERP C[C@@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449547 1322753488 /nfs/dbraw/zinc/75/34/88/1322753488.db2.gz OWFJJBGLEKXWSA-JSGCOSHPSA-N 2 0 326.843 3.370 10 0 EGAERP CCc1nc(C(C)C)ccc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923447436 1322753695 /nfs/dbraw/zinc/75/36/95/1322753695.db2.gz SQVZPHKGSJWTCJ-KRWDZBQOSA-N 2 0 331.504 3.097 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c(Cl)cccc1Cl)CC2 ZINC000923454632 1322754324 /nfs/dbraw/zinc/75/43/24/1322754324.db2.gz HVWQWYSBLXCFKW-GFCCVEGCSA-N 2 0 329.271 3.323 10 0 EGAERP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)c2cc1Cl ZINC000923496590 1322761861 /nfs/dbraw/zinc/76/18/61/1322761861.db2.gz HYLQSEJCTMZWRY-JSGCOSHPSA-N 2 0 348.874 3.426 10 0 EGAERP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923499011 1322763061 /nfs/dbraw/zinc/76/30/61/1322763061.db2.gz PYUOSTJWVNZRIB-KBPBESRZSA-N 2 0 330.428 3.026 10 0 EGAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3cccs3)CC2)n1 ZINC000924864838 1323191552 /nfs/dbraw/zinc/19/15/52/1323191552.db2.gz CZGXGYMTDUFYOZ-CQSZACIVSA-N 2 0 347.532 3.231 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1OC ZINC000925487526 1325172378 /nfs/dbraw/zinc/17/23/78/1325172378.db2.gz CYRXTKCHHMHZFN-MSOLQXFVSA-N 2 0 332.488 3.004 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)N(C)C)c1 ZINC000925493016 1325175424 /nfs/dbraw/zinc/17/54/24/1325175424.db2.gz JIPMYNWHMPDYTG-ACRUOGEOSA-N 2 0 345.531 3.056 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495054 1325177133 /nfs/dbraw/zinc/17/71/33/1325177133.db2.gz XBFYQRFBBPXEOJ-AYOQOUSVSA-N 2 0 347.572 3.253 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1c(F)cccc1F ZINC000925497286 1325178295 /nfs/dbraw/zinc/17/82/95/1325178295.db2.gz GPURPXKVOVERNV-WOSRLPQWSA-N 2 0 325.447 3.063 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)C2)c1 ZINC000925502661 1325181344 /nfs/dbraw/zinc/18/13/44/1325181344.db2.gz GXQVHLFMFLEJCL-IKGGRYGDSA-N 2 0 331.504 3.160 10 0 EGAERP COc1ccc([C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000925509371 1325183345 /nfs/dbraw/zinc/18/33/45/1325183345.db2.gz MLFVDQYVCALBSL-NSHGMRRFSA-N 2 0 345.531 3.328 10 0 EGAERP CN(C)c1ccc(N2CCC([NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518366 1325187412 /nfs/dbraw/zinc/18/74/12/1325187412.db2.gz QEHFGABXSUFSOB-WMZOPIPTSA-N 2 0 344.547 3.217 10 0 EGAERP CC1(C)[C@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534176 1325195994 /nfs/dbraw/zinc/19/59/94/1325195994.db2.gz JGVLYBBKKWAZJM-WZGPROSRSA-N 2 0 347.572 3.326 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548994 1325202533 /nfs/dbraw/zinc/20/25/33/1325202533.db2.gz WBHODQCPVQCNOO-OALUTQOASA-N 2 0 334.504 3.235 10 0 EGAERP Cc1ccccc1C1(C[NH2+][C@H]2CC[NH2+]C23CCCC3)CCOCC1 ZINC000925560468 1325209725 /nfs/dbraw/zinc/20/97/25/1325209725.db2.gz XUTLTKMVLXHLCJ-IBGZPJMESA-N 2 0 328.500 3.308 10 0 EGAERP CC1(C)[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925564733 1325212169 /nfs/dbraw/zinc/21/21/69/1325212169.db2.gz LGBWDDGZLGTAKA-HKBOAZHASA-N 3 0 341.543 3.265 10 0 EGAERP c1ccc2sc(N3CCC([NH2+][C@H]4CC[NH2+]C45CCC5)CC3)nc2c1 ZINC000925582678 1325220542 /nfs/dbraw/zinc/22/05/42/1325220542.db2.gz AQMJAOUVSANHOW-KRWDZBQOSA-N 2 0 342.512 3.139 10 0 EGAERP CCC1(C[NH2+][C@@H](C)c2cnnn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000925618854 1325233064 /nfs/dbraw/zinc/23/30/64/1325233064.db2.gz JZAOOONFOQXXCT-KRWDZBQOSA-N 2 0 341.503 3.158 10 0 EGAERP C[NH+](C)[C@H](CN[C@H]1CC[NH2+]C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925639750 1325241639 /nfs/dbraw/zinc/24/16/39/1325241639.db2.gz DGVKFQBEJPLBPL-CVEARBPZSA-N 2 0 341.421 3.182 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ccccn2)C2CCC2)ccn1 ZINC000925654083 1325249089 /nfs/dbraw/zinc/24/90/89/1325249089.db2.gz PGRNNGWTXNSTQB-HXUWFJFHSA-N 2 0 340.471 3.048 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CCc2cccc(OCC(F)(F)F)c2)C12CCC2 ZINC000925658280 1325251428 /nfs/dbraw/zinc/25/14/28/1325251428.db2.gz WHUULOFQISPSRJ-GJZGRUSLSA-N 2 0 328.378 3.030 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]C2(Cc3ccccc3Br)CC2)C12CCC2 ZINC000925671482 1325257674 /nfs/dbraw/zinc/25/76/74/1325257674.db2.gz CMPBHCUWOLYROU-HUUCEWRRSA-N 2 0 335.289 3.384 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1nccc2c1CCCC2 ZINC000925804704 1325307040 /nfs/dbraw/zinc/30/70/40/1325307040.db2.gz BMRJOKAGIOEYBN-UGKGYDQZSA-N 2 0 349.478 3.306 10 0 EGAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)C(c1ccccc1)c1ccccc1 ZINC000925808183 1325309470 /nfs/dbraw/zinc/30/94/70/1325309470.db2.gz AMPRNMOWWCSYBU-SFHVURJKSA-N 2 0 337.511 3.220 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccs1 ZINC000925808031 1325309669 /nfs/dbraw/zinc/30/96/69/1325309669.db2.gz JLRZTEKEAPWZGP-SFHVURJKSA-N 2 0 329.513 3.394 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cc(F)ccc1F ZINC000925808801 1325310235 /nfs/dbraw/zinc/31/02/35/1325310235.db2.gz MJTJMWDIFABLTP-OAHLLOKOSA-N 2 0 345.437 3.221 10 0 EGAERP Cc1nc(C)c([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925808546 1325310399 /nfs/dbraw/zinc/31/03/99/1325310399.db2.gz MEBIIGCWFRGKOI-AWEZNQCLSA-N 2 0 344.528 3.016 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccn1 ZINC000925809656 1325311088 /nfs/dbraw/zinc/31/10/88/1325311088.db2.gz SGVGFECDYOZCNM-FQEVSTJZSA-N 2 0 338.499 3.118 10 0 EGAERP COc1ccc([C@H](CCC(C)C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925816170 1325314128 /nfs/dbraw/zinc/31/41/28/1325314128.db2.gz VWXYZLPCLWWYSU-FQEVSTJZSA-N 2 0 333.520 3.185 10 0 EGAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000925836312 1325322303 /nfs/dbraw/zinc/32/23/03/1325322303.db2.gz ZDJSWETWVDFUHQ-CQSZACIVSA-N 2 0 326.366 3.009 10 0 EGAERP Clc1ccc(CN2CCC([NH2+]C[C@]34CCC[C@H]3[NH2+]CC4)CC2)cc1 ZINC000925841155 1325324140 /nfs/dbraw/zinc/32/41/40/1325324140.db2.gz GFHQOBDYOKEPIM-WOJBJXKFSA-N 2 0 347.934 3.426 10 0 EGAERP COc1cc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)ccc1OC(F)F ZINC000925844146 1325325335 /nfs/dbraw/zinc/32/53/35/1325325335.db2.gz WIRZCQUSNJHCHY-BJOOFOGMSA-N 2 0 340.414 3.479 10 0 EGAERP CSc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1F ZINC000925843318 1325325743 /nfs/dbraw/zinc/32/57/43/1325325743.db2.gz DXTHDGBGDCQNDG-OAHLLOKOSA-N 2 0 339.524 3.274 10 0 EGAERP CCCCCC[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849187 1325329243 /nfs/dbraw/zinc/32/92/43/1325329243.db2.gz BPXDBCLFTIJQIO-FGTMMUONSA-N 2 0 336.520 3.400 10 0 EGAERP O=C1O[C@H](C[NH2+][C@H]2CCCC[C@@H]2C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925850543 1325329616 /nfs/dbraw/zinc/32/96/16/1325329616.db2.gz JBXYWKOSKMBXTI-OTWHNJEPSA-N 2 0 348.531 3.400 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc2ccccc21 ZINC000925853387 1325332161 /nfs/dbraw/zinc/33/21/61/1325332161.db2.gz INHWWHWQYNCNCM-WBVHZDCISA-N 2 0 338.451 3.176 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]CCc1cccc2c1OCCO2)c1ccccc1 ZINC000925875752 1325339868 /nfs/dbraw/zinc/33/98/68/1325339868.db2.gz VXOVLJDZGVTGGF-SFHVURJKSA-N 2 0 326.440 3.070 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCc3c2c(Br)ccc3F)C1 ZINC000925883292 1325341783 /nfs/dbraw/zinc/34/17/83/1325341783.db2.gz ULMQIQKQXNYECB-RBZYPMLTSA-N 2 0 327.241 3.293 10 0 EGAERP C[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1csc(C(F)(F)F)c1 ZINC000926356653 1325525931 /nfs/dbraw/zinc/52/59/31/1325525931.db2.gz IYCQDEBINJYBCA-LBPRGKRZSA-N 2 0 349.466 3.444 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2Cc2cnn(C)c2)CC1 ZINC000926707940 1327676555 /nfs/dbraw/zinc/67/65/55/1327676555.db2.gz VVKIZRKJMSERJC-QUCCMNQESA-N 2 0 332.536 3.231 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000863544391 1329562490 /nfs/dbraw/zinc/56/24/90/1329562490.db2.gz SJVYOLYDCNAWBE-HNNXBMFYSA-N 2 0 330.444 3.204 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)cc1 ZINC000863556801 1329562754 /nfs/dbraw/zinc/56/27/54/1329562754.db2.gz HSHJVCYODWVOHU-YUVXSKOASA-N 2 0 336.479 3.473 10 0 EGAERP Cn1c(Cl)ncc1C[NH2+]CCC1CC[NH+](Cc2ccccc2)CC1 ZINC000865717964 1329732120 /nfs/dbraw/zinc/73/21/20/1329732120.db2.gz QGISHAGCQISIBP-UHFFFAOYSA-N 2 0 346.906 3.465 10 0 EGAERP Cc1[nH+]c2ccccc2c(N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)c1C ZINC000866011551 1329758864 /nfs/dbraw/zinc/75/88/64/1329758864.db2.gz HBALOBBEMYUOME-QZTJIDSGSA-N 3 0 340.515 3.027 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000866228556 1330081174 /nfs/dbraw/zinc/08/11/74/1330081174.db2.gz LAILEIPTVGHAIM-QRWLVFNGSA-N 2 0 333.495 3.065 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(N2CCNC2=O)cc1 ZINC000866516922 1330121048 /nfs/dbraw/zinc/12/10/48/1330121048.db2.gz DVHSBVOZMHBJIT-FVWXCPNNSA-N 2 0 344.503 3.130 10 0 EGAERP CC(C)C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)CC1CC[NH+](C)CC1 ZINC000866717385 1330144274 /nfs/dbraw/zinc/14/42/74/1330144274.db2.gz CZAOLGDSNOFBNC-UHFFFAOYSA-N 3 0 329.532 3.132 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001323244601 1387316773 /nfs/dbraw/zinc/31/67/73/1387316773.db2.gz ARTWVFOEFHVGGX-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001323670979 1387421369 /nfs/dbraw/zinc/42/13/69/1387421369.db2.gz WUQOAKINXBAITI-MVCQKVDPSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CCCCCC1 ZINC001323722229 1387432241 /nfs/dbraw/zinc/43/22/41/1387432241.db2.gz NNXXIDOEEHHRMU-MOPGFXCFSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001323857098 1387477304 /nfs/dbraw/zinc/47/73/04/1387477304.db2.gz FWKYGRKNCQUOQQ-TZIWHRDSSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001323871836 1387484569 /nfs/dbraw/zinc/48/45/69/1387484569.db2.gz GCLZTXAQOJVFBE-NGQOVYEWSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001324214510 1387560232 /nfs/dbraw/zinc/56/02/32/1387560232.db2.gz ZICSAWJDJGIMRD-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324480714 1387637029 /nfs/dbraw/zinc/63/70/29/1387637029.db2.gz DEXKADYXWLMAPR-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001324555917 1387670774 /nfs/dbraw/zinc/67/07/74/1387670774.db2.gz CIPWMSXHQQKULT-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@]2(C)CC[N@H+](CCCCCF)C2)cc1 ZINC001324656959 1387719947 /nfs/dbraw/zinc/71/99/47/1387719947.db2.gz OXLAPIZFBJFZMC-HXUWFJFHSA-N 2 0 349.494 3.082 10 0 EGAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001324971495 1387858886 /nfs/dbraw/zinc/85/88/86/1387858886.db2.gz JAVAPNQMYXMSKN-TZIWHRDSSA-N 2 0 345.531 3.308 10 0 EGAERP C[N@H+](CCN1CC[NH+](CC2CC3(CCC3)C2)CC1)Cc1ccccc1 ZINC001190865366 1367370671 /nfs/dbraw/zinc/37/06/71/1367370671.db2.gz UVFPQYLCFXBAAG-UHFFFAOYSA-N 2 0 341.543 3.316 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC001325271693 1387925788 /nfs/dbraw/zinc/92/57/88/1387925788.db2.gz DEMMWKRIJNWXFT-DLBZAZTESA-N 2 0 348.560 3.406 10 0 EGAERP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001325917784 1388081014 /nfs/dbraw/zinc/08/10/14/1388081014.db2.gz NUIRYXJSCPOXGN-OALUTQOASA-N 2 0 335.536 3.118 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001325919633 1388082613 /nfs/dbraw/zinc/08/26/13/1388082613.db2.gz UWACHNZWTSAXNM-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP O=C(c1cccs1)C1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC001118505333 1371191356 /nfs/dbraw/zinc/19/13/56/1371191356.db2.gz BSVKUIDPBQABMQ-UHFFFAOYSA-N 2 0 340.492 3.489 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326273642 1388138857 /nfs/dbraw/zinc/13/88/57/1388138857.db2.gz WNQFPGFTVKAWGV-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001326525150 1388229325 /nfs/dbraw/zinc/22/93/25/1388229325.db2.gz KYLSKCSJHHAJGB-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001326567861 1388242160 /nfs/dbraw/zinc/24/21/60/1388242160.db2.gz ZARRERQCIUFIJH-MXVIHJGJSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001264122184 1377140147 /nfs/dbraw/zinc/14/01/47/1377140147.db2.gz HRSNDWNWYSSEAU-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccc(C)cc1 ZINC001265137152 1377149484 /nfs/dbraw/zinc/14/94/84/1377149484.db2.gz PBZIETXCZITMMX-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265627597 1377155769 /nfs/dbraw/zinc/15/57/69/1377155769.db2.gz FFWWPPISVKQEAP-PRPIBZDOSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001266216652 1377231811 /nfs/dbraw/zinc/23/18/11/1377231811.db2.gz TVAKXBXYSFPSBH-RTBURBONSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001266224652 1377235622 /nfs/dbraw/zinc/23/56/22/1377235622.db2.gz BVMWKATWUGADRA-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001327291599 1388487042 /nfs/dbraw/zinc/48/70/42/1388487042.db2.gz QHVMUZAFGOIDRR-ROUUACIJSA-N 2 0 349.563 3.220 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001267072550 1377410369 /nfs/dbraw/zinc/41/03/69/1377410369.db2.gz DUGAXZIURIDHBG-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC001136929862 1377441798 /nfs/dbraw/zinc/44/17/98/1377441798.db2.gz RHJNLHPROUFQIF-WBVHZDCISA-N 2 0 349.544 3.122 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001267831528 1377473252 /nfs/dbraw/zinc/47/32/52/1377473252.db2.gz RGFPBPOCWOTFOC-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001327480135 1388531810 /nfs/dbraw/zinc/53/18/10/1388531810.db2.gz VAYVSXMSFUAYJT-RTBURBONSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275416539 1378140475 /nfs/dbraw/zinc/14/04/75/1378140475.db2.gz WKQXENCOMQOTID-SJORKVTESA-N 2 0 345.531 3.277 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001327488542 1388533097 /nfs/dbraw/zinc/53/30/97/1388533097.db2.gz LMXLMIJINPSWDD-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275768386 1378156455 /nfs/dbraw/zinc/15/64/55/1378156455.db2.gz OFVBWLUJEOHXCM-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001280262910 1378337875 /nfs/dbraw/zinc/33/78/75/1378337875.db2.gz AJMXQHNJCVDNIH-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001280264739 1378338600 /nfs/dbraw/zinc/33/86/00/1378338600.db2.gz ZNONRQYWXCPTQU-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001282240401 1378492641 /nfs/dbraw/zinc/49/26/41/1378492641.db2.gz DDQYSMKJELNBNB-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001282740817 1378591830 /nfs/dbraw/zinc/59/18/30/1378591830.db2.gz PIHLNGOQSHRRBT-FNYRVFDFSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001282813360 1378623770 /nfs/dbraw/zinc/62/37/70/1378623770.db2.gz WIISGDZNVCAVPU-PXEQJPNCSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@H](CCC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283214638 1378762527 /nfs/dbraw/zinc/76/25/27/1378762527.db2.gz PVKCZQOAHZCMRS-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001283679532 1379108981 /nfs/dbraw/zinc/10/89/81/1379108981.db2.gz WUYFSQWFIMBWTR-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001283720692 1379142180 /nfs/dbraw/zinc/14/21/80/1379142180.db2.gz GIEIDJFVMBQNLE-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001283997745 1379350851 /nfs/dbraw/zinc/35/08/51/1379350851.db2.gz DCRIOOMTVFXBPU-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001284014558 1379363288 /nfs/dbraw/zinc/36/32/88/1379363288.db2.gz BUYYOUHHCAEWHZ-VURNCLMJSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001284072465 1379437042 /nfs/dbraw/zinc/43/70/42/1379437042.db2.gz RPUUYKMMLRQUFJ-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250377 1379633480 /nfs/dbraw/zinc/63/34/80/1379633480.db2.gz ZUTIVFOGZCWTNM-FXAWDEMLSA-N 2 0 343.515 3.036 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001284292414 1379680899 /nfs/dbraw/zinc/68/08/99/1379680899.db2.gz GFNXYHGCUNMOBH-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001284295837 1379684378 /nfs/dbraw/zinc/68/43/78/1379684378.db2.gz MFNCPSQRYFOQRH-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)Nc1cccc2c1C[N@@H+](C1CC1)C2 ZINC001153340492 1380057593 /nfs/dbraw/zinc/05/75/93/1380057593.db2.gz QBRMZVYIEDSWMR-UHFFFAOYSA-N 2 0 327.472 3.369 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCCC1 ZINC001284653147 1380067832 /nfs/dbraw/zinc/06/78/32/1380067832.db2.gz PPXVRAOBMIGCPZ-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001284692835 1380105664 /nfs/dbraw/zinc/10/56/64/1380105664.db2.gz CYADJTAVVZHASN-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C(=O)NCC1=CC[N@H+](CC2=CCCCC2)CC1)[NH+]1CCCC1 ZINC001284947352 1380326001 /nfs/dbraw/zinc/32/60/01/1380326001.db2.gz TYJRIKDRHPWLKO-UHFFFAOYSA-N 2 0 345.531 3.110 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2CCC(C)([NH+]3CCCC3)CC2)C1 ZINC001155677165 1380481606 /nfs/dbraw/zinc/48/16/06/1380481606.db2.gz NNPWUIMFBHDFPD-BHASAWDCSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC=C(C)C)CC1(C)C)[NH+](CC)CC ZINC001328102527 1388674396 /nfs/dbraw/zinc/67/43/96/1388674396.db2.gz NRRICWGAJWSULJ-ROUUACIJSA-N 2 0 337.552 3.290 10 0 EGAERP CC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+]3CCCCC3)c2)C(C)(C)C1 ZINC001156836976 1380679973 /nfs/dbraw/zinc/67/99/73/1380679973.db2.gz RSUGKZDRHRVCKJ-LJQANCHMSA-N 2 0 343.515 3.133 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001328283792 1388714004 /nfs/dbraw/zinc/71/40/04/1388714004.db2.gz MMIJBQXGJUNMPI-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001328283787 1388714032 /nfs/dbraw/zinc/71/40/32/1388714032.db2.gz MMIJBQXGJUNMPI-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001328352219 1388728544 /nfs/dbraw/zinc/72/85/44/1388728544.db2.gz PKNJUCGDZQFBTJ-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001328733973 1388832008 /nfs/dbraw/zinc/83/20/08/1388832008.db2.gz TXFLLYNVYQRDDZ-VZSQWMKGSA-N 2 0 347.547 3.142 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[NH+]2C1)C1CCCCC1 ZINC001165302774 1383268816 /nfs/dbraw/zinc/26/88/16/1383268816.db2.gz LQACRNDTEIDODQ-NSHGMRRFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@@H]1C ZINC001300230500 1383654503 /nfs/dbraw/zinc/65/45/03/1383654503.db2.gz ZOBWCPKMYQSFSN-HCXYKTFWSA-N 2 0 345.531 3.084 10 0 EGAERP C[C@@H](C[NH+](C)C)[C@@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001301481986 1383717662 /nfs/dbraw/zinc/71/76/62/1383717662.db2.gz OGEQDPKRICQIEN-WMZOPIPTSA-N 2 0 347.503 3.068 10 0 EGAERP CC(C)C[N@H+](CCC(=O)Nc1cccc(F)c1)CC1CC[NH+](C)CC1 ZINC001308027571 1384077327 /nfs/dbraw/zinc/07/73/27/1384077327.db2.gz KELULAURTHIFGD-UHFFFAOYSA-N 2 0 349.494 3.454 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001328897463 1388898258 /nfs/dbraw/zinc/89/82/58/1388898258.db2.gz OPMLIJKDOADZJW-AOCRQIFASA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1OCC[C@@]1(C)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001169270477 1384130509 /nfs/dbraw/zinc/13/05/09/1384130509.db2.gz GZOVMYAHMJMCMB-GHTZIAJQSA-N 2 0 330.516 3.488 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001316620938 1384486608 /nfs/dbraw/zinc/48/66/08/1384486608.db2.gz WHOHLHCVOBPQPO-ABSDTBQOSA-N 2 0 345.531 3.307 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001316666216 1384512157 /nfs/dbraw/zinc/51/21/57/1384512157.db2.gz BPPIXNFELNDEPK-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001316775607 1384574905 /nfs/dbraw/zinc/57/49/05/1384574905.db2.gz 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ZINC001317187010 1384961786 /nfs/dbraw/zinc/96/17/86/1384961786.db2.gz CKEOHQSEVQGWJT-GNAXCBTBSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317208255 1384984129 /nfs/dbraw/zinc/98/41/29/1384984129.db2.gz XRSUAKNRUBPBKC-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCC1CCCC1 ZINC001317248077 1385020530 /nfs/dbraw/zinc/02/05/30/1385020530.db2.gz XUINQGUOUZVWBJ-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317340476 1385092481 /nfs/dbraw/zinc/09/24/81/1385092481.db2.gz LHXBYTMSIVEIFR-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317357551 1385102819 /nfs/dbraw/zinc/10/28/19/1385102819.db2.gz KNMNLYVRQSGDRA-RTBURBONSA-N 2 0 349.563 3.460 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001317483439 1385179857 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343.515 3.106 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2cccc(C)c2)C1 ZINC001317763535 1385454628 /nfs/dbraw/zinc/45/46/28/1385454628.db2.gz OYEOFEASMCMSNJ-QUCCMNQESA-N 2 0 345.531 3.321 10 0 EGAERP CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001176453354 1385592975 /nfs/dbraw/zinc/59/29/75/1385592975.db2.gz RYZZPMDBVURGBE-IBGZPJMESA-N 2 0 343.515 3.067 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001318445623 1385695397 /nfs/dbraw/zinc/69/53/97/1385695397.db2.gz OFWVIKWBXMFFHB-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CO[C@H]1CC[C@H]1[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176914897 1385742452 /nfs/dbraw/zinc/74/24/52/1385742452.db2.gz FOTQAUFKUBWGRX-RTWAWAEBSA-N 2 0 330.516 3.440 10 0 EGAERP CO[C@@H]1CC[C@H]1[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176914896 1385742774 /nfs/dbraw/zinc/74/27/74/1385742774.db2.gz FOTQAUFKUBWGRX-NHCUHLMSSA-N 2 0 330.516 3.440 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC(CC[NH2+]CC3=CCCCC3)CC2)C1 ZINC001318928283 1385884362 /nfs/dbraw/zinc/88/43/62/1385884362.db2.gz HLZYAOFVAJLVFD-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001318978834 1385906997 /nfs/dbraw/zinc/90/69/97/1385906997.db2.gz KCUFNMCTJWEQQA-FHWLQOOXSA-N 2 0 335.536 3.234 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001318979932 1385907949 /nfs/dbraw/zinc/90/79/49/1385907949.db2.gz XPSIBDGUXOYZNZ-VJANTYMQSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001318984460 1385909330 /nfs/dbraw/zinc/90/93/30/1385909330.db2.gz VEMRWYYEKOQCRF-CADBVGFASA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001319008751 1385922277 /nfs/dbraw/zinc/92/22/77/1385922277.db2.gz KIRLWWOMKBNDGW-YLJYHZDGSA-N 2 0 345.531 3.313 10 0 EGAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH2+]CC1CCCC1 ZINC001319220753 1386010923 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FSKZPKHJOCOGKT-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001319864175 1386343459 /nfs/dbraw/zinc/34/34/59/1386343459.db2.gz MSCTZLQTAMHWLY-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001319880937 1386356541 /nfs/dbraw/zinc/35/65/41/1386356541.db2.gz OGNVWTBYSVVBEB-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001320111569 1386518995 /nfs/dbraw/zinc/51/89/95/1386518995.db2.gz PLCOELYJAQGSRS-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320156152 1386539679 /nfs/dbraw/zinc/53/96/79/1386539679.db2.gz WOMPJMCHMRJZJM-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H]([NH2+]C/C=C/CNC(=O)c1cccc2nccn21)c1ccccc1 ZINC001321155403 1386824710 /nfs/dbraw/zinc/82/47/10/1386824710.db2.gz LPUZYVSMKGGHAU-DKFQHHCZSA-N 2 0 348.450 3.361 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001321394900 1386893441 /nfs/dbraw/zinc/89/34/41/1386893441.db2.gz YYTDBYUVGRPUPP-MHMKEBPSSA-N 2 0 349.563 3.053 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001321415190 1386896804 /nfs/dbraw/zinc/89/68/04/1386896804.db2.gz CYKCCDMZXDZDRR-XXCOWLKOSA-N 2 0 333.520 3.012 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCCC1)[NH+](C)C ZINC001322182016 1387090547 /nfs/dbraw/zinc/09/05/47/1387090547.db2.gz CZEXNKATZUSFNY-FUHWJXTLSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341702 1387163808 /nfs/dbraw/zinc/16/38/08/1387163808.db2.gz YYXPBFTXJRJRGI-OALUTQOASA-N 2 0 347.547 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCCCCC1 ZINC001322530735 1387201465 /nfs/dbraw/zinc/20/14/65/1387201465.db2.gz KDSJYQZQGLCREV-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001322568412 1387206886 /nfs/dbraw/zinc/20/68/86/1387206886.db2.gz GMLCPOSUTIMQAP-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001698711851 1406354079 /nfs/dbraw/zinc/35/40/79/1406354079.db2.gz OYSMCBTVQUXXOU-WGSAOQKQSA-N 2 0 331.504 3.179 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001329458750 1389116579 /nfs/dbraw/zinc/11/65/79/1389116579.db2.gz BWOXZGIPYPRVCI-VQIMIIECSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001329459294 1389117659 /nfs/dbraw/zinc/11/76/59/1389117659.db2.gz ICVHGWFJVZMXPH-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001329474122 1389121694 /nfs/dbraw/zinc/12/16/94/1389121694.db2.gz HFWPHPTZUDDQHW-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@H](C)c1ccc(F)cc1 ZINC001329500242 1389132366 /nfs/dbraw/zinc/13/23/66/1389132366.db2.gz FQIKNMBWTGMXDU-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP CCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001329517989 1389139615 /nfs/dbraw/zinc/13/96/15/1389139615.db2.gz VKLFOPRLNKVGHO-HKUYNNGSSA-N 2 0 337.552 3.410 10 0 EGAERP CC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001329741781 1389215389 /nfs/dbraw/zinc/21/53/89/1389215389.db2.gz JUJDLOHYXNFLTM-QGZVFWFLSA-N 2 0 325.541 3.122 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001329888259 1389246893 /nfs/dbraw/zinc/24/68/93/1389246893.db2.gz UQEKJEIORQOFMB-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001329935583 1389263527 /nfs/dbraw/zinc/26/35/27/1389263527.db2.gz BXAZKCBEZRSELF-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001329951353 1389271104 /nfs/dbraw/zinc/27/11/04/1389271104.db2.gz GHMDKKBJUYIHLG-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1c[nH+]c2ccccc2c1NCc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC001330079997 1389303341 /nfs/dbraw/zinc/30/33/41/1389303341.db2.gz TXOAEVJJUYDXIP-IBGZPJMESA-N 2 0 347.462 3.144 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CCC[N@H+](CC1CC(C)(C)C1)C2 ZINC001330511560 1389437292 /nfs/dbraw/zinc/43/72/92/1389437292.db2.gz BXRBJWCQYJODDM-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC1CCC(C[N@H+](C)C2CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001331038834 1389606502 /nfs/dbraw/zinc/60/65/02/1389606502.db2.gz KZCXXQVLTCKVPM-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001332033116 1389953365 /nfs/dbraw/zinc/95/33/65/1389953365.db2.gz SZVQLRAXLKIRRJ-LOYZYROESA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332109704 1389987893 /nfs/dbraw/zinc/98/78/93/1389987893.db2.gz GYQZYUYFBSBQIW-DSKINZAPSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001698759954 1406413558 /nfs/dbraw/zinc/41/35/58/1406413558.db2.gz FVWXTVOREDVXMH-HZPDHXFCSA-N 2 0 349.494 3.103 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332806107 1390191096 /nfs/dbraw/zinc/19/10/96/1390191096.db2.gz FPOBLWFXEWFOKG-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001333354065 1390288401 /nfs/dbraw/zinc/28/84/01/1390288401.db2.gz BXGKFQNAEMQDBY-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)CC2 ZINC001698808270 1406492053 /nfs/dbraw/zinc/49/20/53/1406492053.db2.gz CSHYMLZCYFSZLY-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001479478881 1392252731 /nfs/dbraw/zinc/25/27/31/1392252731.db2.gz FOAUYFHOUNPWHL-IKIZUSFZSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001479525754 1392269093 /nfs/dbraw/zinc/26/90/93/1392269093.db2.gz UGPCJENQWCINJT-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479526046 1392269442 /nfs/dbraw/zinc/26/94/42/1392269442.db2.gz FJFRZTDQDVPBGT-WFRZBGSESA-N 2 0 347.547 3.045 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]2C)cc1 ZINC001479724611 1392338952 /nfs/dbraw/zinc/33/89/52/1392338952.db2.gz KZQRHCZCFFJIAE-UXPWSPDFSA-N 2 0 345.531 3.058 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001479737909 1392350495 /nfs/dbraw/zinc/35/04/95/1392350495.db2.gz QECFCXJNOBDIFD-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CC2(CCC2)C1 ZINC001479778676 1392382674 /nfs/dbraw/zinc/38/26/74/1392382674.db2.gz XDLWFCUSZICVRD-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479831594 1392418106 /nfs/dbraw/zinc/41/81/06/1392418106.db2.gz NEVDDAAEKPTNIH-ZWKOTPCHSA-N 2 0 325.541 3.122 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001479877587 1392453945 /nfs/dbraw/zinc/45/39/45/1392453945.db2.gz VKNMDXJCQSYJAF-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP CCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001479988861 1392520813 /nfs/dbraw/zinc/52/08/13/1392520813.db2.gz VNEASTJUXWBNBU-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021289 1392538677 /nfs/dbraw/zinc/53/86/77/1392538677.db2.gz YTSVOGHRDBYKPP-UXHICEINSA-N 2 0 347.547 3.234 10 0 EGAERP C[N@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1)C1CCC1 ZINC001480180107 1392612378 /nfs/dbraw/zinc/61/23/78/1392612378.db2.gz VOTPUOJCBDJMLU-CTXDPNEZSA-N 2 0 345.531 3.083 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480287274 1392660155 /nfs/dbraw/zinc/66/01/55/1392660155.db2.gz DXFKHINNZBFCEG-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001480318494 1392677981 /nfs/dbraw/zinc/67/79/81/1392677981.db2.gz IUHDBYPJWKTVEH-HPFMTEOYSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001480331290 1392690125 /nfs/dbraw/zinc/69/01/25/1392690125.db2.gz HKOUHIBWHGXRPR-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001480332135 1392691078 /nfs/dbraw/zinc/69/10/78/1392691078.db2.gz KXNCUXIWTKKSJF-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460629 1392759913 /nfs/dbraw/zinc/75/99/13/1392759913.db2.gz WXRBTNSJWAFMQG-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001480525782 1392778742 /nfs/dbraw/zinc/77/87/42/1392778742.db2.gz MBYJGPXUBXXLDL-UWVAXJGDSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H](C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001480667450 1392844178 /nfs/dbraw/zinc/84/41/78/1392844178.db2.gz HYGADAYRWQQRRL-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001480706424 1392869506 /nfs/dbraw/zinc/86/95/06/1392869506.db2.gz DIQROROCEBIBCK-WOJBJXKFSA-N 2 0 345.531 3.244 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480733112 1392897370 /nfs/dbraw/zinc/89/73/70/1392897370.db2.gz WYKCSVLPDUJGRR-VZSQWMKGSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001481045904 1393105402 /nfs/dbraw/zinc/10/54/02/1393105402.db2.gz DGMGRSPMDFRAML-AEFFLSMTSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1=CCCCC1 ZINC001481139587 1393131194 /nfs/dbraw/zinc/13/11/94/1393131194.db2.gz MGNGUMVMVZVEGX-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1C ZINC001481143925 1393132319 /nfs/dbraw/zinc/13/23/19/1393132319.db2.gz QDLTWTYNABMCLX-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001481230096 1393151517 /nfs/dbraw/zinc/15/15/17/1393151517.db2.gz GHEQBOOARJVMOZ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCC1 ZINC001698885195 1406618705 /nfs/dbraw/zinc/61/87/05/1406618705.db2.gz JLQMOVLVJXRPPU-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939212 1406678821 /nfs/dbraw/zinc/67/88/21/1406678821.db2.gz OWKPYUXQAZFNRJ-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374298 1394215943 /nfs/dbraw/zinc/21/59/43/1394215943.db2.gz LIUHPXCYLMGXQP-PMACEKPBSA-N 2 0 345.531 3.210 10 0 EGAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481409164 1394266089 /nfs/dbraw/zinc/26/60/89/1394266089.db2.gz JEJGOAZTQCVMLF-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001481446777 1394299946 /nfs/dbraw/zinc/29/99/46/1394299946.db2.gz NJSQWJSWKWFAQX-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001481451608 1394307752 /nfs/dbraw/zinc/30/77/52/1394307752.db2.gz IWYYRJHZMRISCG-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC2CCC2)C1 ZINC001481485503 1394330791 /nfs/dbraw/zinc/33/07/91/1394330791.db2.gz HGMRVRCNVQZQRE-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001490776180 1394340938 /nfs/dbraw/zinc/34/09/38/1394340938.db2.gz PTPQKVDSRQTHEG-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491152859 1394452317 /nfs/dbraw/zinc/45/23/17/1394452317.db2.gz SORYGEMHSPLCEH-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153586 1394452664 /nfs/dbraw/zinc/45/26/64/1394452664.db2.gz MHXFNLQBKGIFGW-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153584 1394452902 /nfs/dbraw/zinc/45/29/02/1394452902.db2.gz MHXFNLQBKGIFGW-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001481693337 1394454928 /nfs/dbraw/zinc/45/49/28/1394454928.db2.gz MNJIZNWPXPFLMF-PMACEKPBSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481696653 1394458263 /nfs/dbraw/zinc/45/82/63/1394458263.db2.gz DFDMFNGBVVQEHU-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC(C)C)CC[N@@H+]1C ZINC001491216096 1394475326 /nfs/dbraw/zinc/47/53/26/1394475326.db2.gz YRLKOQUAFJKEHV-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481727804 1394477974 /nfs/dbraw/zinc/47/79/74/1394477974.db2.gz SVBWMUNBINWTAJ-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001491220868 1394479441 /nfs/dbraw/zinc/47/94/41/1394479441.db2.gz FDQORWJAVLJICO-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481731527 1394480567 /nfs/dbraw/zinc/48/05/67/1394480567.db2.gz VFHMUEFRADUNFQ-ZMBJWTFHSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC/C=C/c1ccccc1 ZINC001491223841 1394480957 /nfs/dbraw/zinc/48/09/57/1394480957.db2.gz FELVIQCFHKPTSB-YLZBSDIZSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732130 1394481795 /nfs/dbraw/zinc/48/17/95/1394481795.db2.gz HRKMWBSBRAPLGY-GOSISDBHSA-N 2 0 335.536 3.138 10 0 EGAERP O=C(N1CCCC[C@@H]1C[NH2+]CCCC1CCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001491273359 1394500307 /nfs/dbraw/zinc/50/03/07/1394500307.db2.gz HLYPWNBTHFEHJI-CTNGQTDRSA-N 2 0 347.547 3.023 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001491355970 1394510394 /nfs/dbraw/zinc/51/03/94/1394510394.db2.gz JFMFPUCTIORTGM-UHFFFAOYSA-N 2 0 337.552 3.457 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001481779622 1394525202 /nfs/dbraw/zinc/52/52/02/1394525202.db2.gz VAJDWOHIBXXKLJ-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481781383 1394525648 /nfs/dbraw/zinc/52/56/48/1394525648.db2.gz CKGRZDCLIPUNFN-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481960269 1394621137 /nfs/dbraw/zinc/62/11/37/1394621137.db2.gz GILWWRQUWFBRIQ-NQIIRXRSSA-N 2 0 349.563 3.483 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001481981730 1394643061 /nfs/dbraw/zinc/64/30/61/1394643061.db2.gz WQDIJNVDTVLDFK-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001482027398 1394685596 /nfs/dbraw/zinc/68/55/96/1394685596.db2.gz BRIRYSZYXQTWCC-GUDVDZBRSA-N 2 0 337.552 3.170 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001482231157 1394825444 /nfs/dbraw/zinc/82/54/44/1394825444.db2.gz MOVIYMIJSDGNSS-SFHVURJKSA-N 2 0 337.552 3.460 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001482284282 1394865060 /nfs/dbraw/zinc/86/50/60/1394865060.db2.gz MJOZCABDVCBMKN-IRXDYDNUSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482304767 1394878921 /nfs/dbraw/zinc/87/89/21/1394878921.db2.gz SDGJNFUQJSYXKZ-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001482409568 1394974547 /nfs/dbraw/zinc/97/45/47/1394974547.db2.gz ODYWZULPMJMEPW-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001482455656 1395014634 /nfs/dbraw/zinc/01/46/34/1395014634.db2.gz ILOZRJRBAPSKJL-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001482478238 1395032573 /nfs/dbraw/zinc/03/25/73/1395032573.db2.gz LFFCCYCGPLLNBZ-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001482480051 1395034090 /nfs/dbraw/zinc/03/40/90/1395034090.db2.gz TXZLGXCWTSWMPN-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001482485494 1395038724 /nfs/dbraw/zinc/03/87/24/1395038724.db2.gz VEIDXSNGFXCTLB-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001482497549 1395049576 /nfs/dbraw/zinc/04/95/76/1395049576.db2.gz HEITUKVXUUEQLU-MNVMYWNISA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]Cc1ccccc1 ZINC001482497341 1395049656 /nfs/dbraw/zinc/04/96/56/1395049656.db2.gz DRXQHOFCXTUAJF-QUCCMNQESA-N 2 0 345.531 3.135 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001482501208 1395053849 /nfs/dbraw/zinc/05/38/49/1395053849.db2.gz MMJYQKGENCOXEG-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@](C)(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001484118970 1395261521 /nfs/dbraw/zinc/26/15/21/1395261521.db2.gz IMCWAKUOMVLDEC-OAQYLSRUSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001484397030 1395366823 /nfs/dbraw/zinc/36/68/23/1395366823.db2.gz YBAPLFRDPZNXGZ-LWYYNNOASA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001484560293 1395443456 /nfs/dbraw/zinc/44/34/56/1395443456.db2.gz YBKMFOYRQXNQDY-YLJYHZDGSA-N 2 0 345.531 3.484 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001484638347 1395458004 /nfs/dbraw/zinc/45/80/04/1395458004.db2.gz AYQFVRAPJUMOPB-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCCC3CCC3)CCC2)CC1 ZINC001484657344 1395465390 /nfs/dbraw/zinc/46/53/90/1395465390.db2.gz FBAMTQIMTFGAOW-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+]3CCCC3)cc2C1 ZINC001484874892 1395576617 /nfs/dbraw/zinc/57/66/17/1395576617.db2.gz ZMBTYTKXJNMILZ-UHFFFAOYSA-N 2 0 343.515 3.293 10 0 EGAERP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CC[C@H]3CCC[NH+]3C)cc2C1 ZINC001484874449 1395577310 /nfs/dbraw/zinc/57/73/10/1395577310.db2.gz RWYRPFBUHZINNX-HXUWFJFHSA-N 2 0 343.515 3.149 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001485229348 1395722681 /nfs/dbraw/zinc/72/26/81/1395722681.db2.gz IWDXLMJDFOUIBO-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CCC([NH2+]CCC(C)C)CC2)CC[N@@H+]1C ZINC001485238725 1395731813 /nfs/dbraw/zinc/73/18/13/1395731813.db2.gz LLTRECLXUWHXSY-WZOJCFFYSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485303837 1395781356 /nfs/dbraw/zinc/78/13/56/1395781356.db2.gz SOQRNHKFDACUIB-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CCCC(C)(C)C)C2 ZINC001485666005 1396094205 /nfs/dbraw/zinc/09/42/05/1396094205.db2.gz VSZQPJROKBZUER-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001502543080 1396204975 /nfs/dbraw/zinc/20/49/75/1396204975.db2.gz CGZMZXRMHDYFRX-PXODQFSGSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001503503178 1396257612 /nfs/dbraw/zinc/25/76/12/1396257612.db2.gz WMMUGSVCKIQMNB-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccc(C[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001491965532 1396301370 /nfs/dbraw/zinc/30/13/70/1396301370.db2.gz NNOYUUMWXQLWAB-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001491966459 1396301661 /nfs/dbraw/zinc/30/16/61/1396301661.db2.gz ZFUPOBTZXWTETL-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001492144343 1396309015 /nfs/dbraw/zinc/30/90/15/1396309015.db2.gz VUVWRQVTJLRCBG-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001492176207 1396312705 /nfs/dbraw/zinc/31/27/05/1396312705.db2.gz TXSFHOWHNRTRAN-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001493126599 1396336370 /nfs/dbraw/zinc/33/63/70/1396336370.db2.gz VWFVEKBXDYYHDL-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001495814105 1396561745 /nfs/dbraw/zinc/56/17/45/1396561745.db2.gz OGDUEQXGGGSIDZ-HKUYNNGSSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496053857 1396592379 /nfs/dbraw/zinc/59/23/79/1396592379.db2.gz CSCPCUMWENJBPG-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001496397013 1396687429 /nfs/dbraw/zinc/68/74/29/1396687429.db2.gz VJWIQGFGEHSFQK-HSALFYBXSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1=CCCCC1 ZINC001699010775 1406839347 /nfs/dbraw/zinc/83/93/47/1406839347.db2.gz FUPJFMWDZXTCMM-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001496412942 1396696703 /nfs/dbraw/zinc/69/67/03/1396696703.db2.gz DRYXPSPEIKDHIS-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001496492675 1396710133 /nfs/dbraw/zinc/71/01/33/1396710133.db2.gz XJQNVCHZCZNBHE-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001496575269 1396716903 /nfs/dbraw/zinc/71/69/03/1396716903.db2.gz OSTZVHJMZRYTNG-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699010962 1406841017 /nfs/dbraw/zinc/84/10/17/1406841017.db2.gz IOFFTRMIIQSPSO-OAHLLOKOSA-N 2 0 339.911 3.131 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001497764559 1396834846 /nfs/dbraw/zinc/83/48/46/1396834846.db2.gz PEANSFCJQIKMIX-KEGWNNHHSA-N 2 0 347.478 3.025 10 0 EGAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001689096903 1396903514 /nfs/dbraw/zinc/90/35/14/1396903514.db2.gz JDSREKGYWZEWCE-QRVBRYPASA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001689099942 1396908010 /nfs/dbraw/zinc/90/80/10/1396908010.db2.gz LCSWJQJVXHHSCB-CEXWTWQISA-N 2 0 337.552 3.290 10 0 EGAERP O=C(N[C@@H]1CCC[C@H]1C[NH2+]CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001699021551 1406855629 /nfs/dbraw/zinc/85/56/29/1406855629.db2.gz LAYJEZGINOPYOC-RBUKOAKNSA-N 2 0 347.547 3.070 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001689262743 1396995738 /nfs/dbraw/zinc/99/57/38/1396995738.db2.gz VKLYGXIPZNZANS-AHSYYPKJSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001689265275 1396997068 /nfs/dbraw/zinc/99/70/68/1396997068.db2.gz QWUPPVGKTITXJT-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001689267019 1396998427 /nfs/dbraw/zinc/99/84/27/1396998427.db2.gz CRRCXECNPLHCSE-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC001498455773 1397000503 /nfs/dbraw/zinc/00/05/03/1397000503.db2.gz KJLQCJRFAQTBAP-AZUAARDMSA-N 2 0 345.531 3.134 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001689365966 1403707696 /nfs/dbraw/zinc/70/76/96/1403707696.db2.gz SHPIRXFSWPOIPH-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001690216280 1404424389 /nfs/dbraw/zinc/42/43/89/1404424389.db2.gz MDIVCKOEKWKRRR-KDURUIRLSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001690227380 1404428266 /nfs/dbraw/zinc/42/82/66/1404428266.db2.gz RBGHHLKKHLMDKW-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690317494 1404473521 /nfs/dbraw/zinc/47/35/21/1404473521.db2.gz HGIZMVZFLWVLBY-RTBURBONSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001690317772 1404474520 /nfs/dbraw/zinc/47/45/20/1404474520.db2.gz KNJGFEWAHZDJEZ-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001690414014 1404546197 /nfs/dbraw/zinc/54/61/97/1404546197.db2.gz PFWVNVIWSBCIFT-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@@H+]2CCC(C)(C)C)CC1 ZINC001690455487 1404583111 /nfs/dbraw/zinc/58/31/11/1404583111.db2.gz ULSXMBJBTYCSAU-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001690487436 1404602147 /nfs/dbraw/zinc/60/21/47/1404602147.db2.gz UABJWRKBIURDSA-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505795 1404618588 /nfs/dbraw/zinc/61/85/88/1404618588.db2.gz XOQOTMLBORQAAB-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001690606097 1404648939 /nfs/dbraw/zinc/64/89/39/1404648939.db2.gz GHXBRYAFZBTBRY-INIZCTEOSA-N 2 0 337.552 3.172 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001690746089 1404706599 /nfs/dbraw/zinc/70/65/99/1404706599.db2.gz SKVQKPRVUCOOHJ-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1CCCC1 ZINC001725174318 1425687604 /nfs/dbraw/zinc/68/76/04/1425687604.db2.gz QKPIGICWXQCNQT-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001690772069 1404721725 /nfs/dbraw/zinc/72/17/25/1404721725.db2.gz NNGUJVVAEGFIPP-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690823379 1404759948 /nfs/dbraw/zinc/75/99/48/1404759948.db2.gz XGTLQJFUUVJHDX-HKUYNNGSSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725174304 1425687449 /nfs/dbraw/zinc/68/74/49/1425687449.db2.gz QCLGFLGUJZIACZ-IDTUSYRASA-N 2 0 328.460 3.049 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001690905458 1404814482 /nfs/dbraw/zinc/81/44/82/1404814482.db2.gz IACAFSGTWOXYHW-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@@H](CCC[NH2+]C/C=C\c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001725402524 1426046425 /nfs/dbraw/zinc/04/64/25/1426046425.db2.gz UFUILNMMLVFCLQ-RFQIAEEBSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725409291 1426054414 /nfs/dbraw/zinc/05/44/14/1426054414.db2.gz LBLXGMCTKPVKSB-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)c1ccccc1 ZINC001691026194 1404938519 /nfs/dbraw/zinc/93/85/19/1404938519.db2.gz VFSIHBYYALIWRY-SFHVURJKSA-N 2 0 343.515 3.062 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691048175 1404961909 /nfs/dbraw/zinc/96/19/09/1404961909.db2.gz NBMRIQYUFYRRQB-SFHVURJKSA-N 2 0 335.536 3.138 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001691058711 1404980537 /nfs/dbraw/zinc/98/05/37/1404980537.db2.gz OHWLBLYUVNQDDR-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001691058712 1404980903 /nfs/dbraw/zinc/98/09/03/1404980903.db2.gz OHWLBLYUVNQDDR-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691095607 1405032498 /nfs/dbraw/zinc/03/24/98/1405032498.db2.gz DHGNGWMQUPOPLS-CADBVGFASA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(F)cc1 ZINC001691187598 1405125939 /nfs/dbraw/zinc/12/59/39/1405125939.db2.gz NUZIKGZWSWREGC-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001691232112 1405171447 /nfs/dbraw/zinc/17/14/47/1405171447.db2.gz NYODFKZPNBGOAF-ZCNNSNEGSA-N 2 0 347.547 3.236 10 0 EGAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691319432 1405203884 /nfs/dbraw/zinc/20/38/84/1405203884.db2.gz IQBOZIRBCNPCBV-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691613641 1405357585 /nfs/dbraw/zinc/35/75/85/1405357585.db2.gz LLPRIBDBBNBMPY-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691786408 1405495106 /nfs/dbraw/zinc/49/51/06/1405495106.db2.gz ZBHZKHGZTLLRMY-FHWLQOOXSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CCCC(C)(C)C ZINC001691798706 1405510528 /nfs/dbraw/zinc/51/05/28/1405510528.db2.gz MRYONGIVHFUNIC-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001691853547 1405570481 /nfs/dbraw/zinc/57/04/81/1405570481.db2.gz YTMLCFSPPPLQMH-MOPGFXCFSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001691954931 1405673466 /nfs/dbraw/zinc/67/34/66/1405673466.db2.gz BGGTWOONUJXZHY-ZCNNSNEGSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691960248 1405677630 /nfs/dbraw/zinc/67/76/30/1405677630.db2.gz NOUUBJUWXOYGDY-LIXSYLKWSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001691989753 1405703631 /nfs/dbraw/zinc/70/36/31/1405703631.db2.gz MZHIXEJLZNPQEL-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1CC ZINC001692001385 1405718412 /nfs/dbraw/zinc/71/84/12/1405718412.db2.gz OZAYBDZWJVUXGG-ZWKOTPCHSA-N 2 0 337.552 3.410 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)C)CC[C@@H]2C1 ZINC001692064589 1405757644 /nfs/dbraw/zinc/75/76/44/1405757644.db2.gz QRMPOUCBWZCVOO-HSALFYBXSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001692251781 1405875658 /nfs/dbraw/zinc/87/56/58/1405875658.db2.gz BOAINOQVYIKATA-MOPGFXCFSA-N 2 0 335.536 3.140 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001692252512 1405877337 /nfs/dbraw/zinc/87/73/37/1405877337.db2.gz LWWCPOVOLWPFEN-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1)[NH+](C)C ZINC001692280221 1405914530 /nfs/dbraw/zinc/91/45/30/1405914530.db2.gz RJOIFWIKTGDKPZ-SJORKVTESA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001692329730 1405947484 /nfs/dbraw/zinc/94/74/84/1405947484.db2.gz MFRMSMCXMBKPLB-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692330036 1405948792 /nfs/dbraw/zinc/94/87/92/1405948792.db2.gz SRNOGFNUFTXLTE-SBUVDCAVSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001732012192 1428227460 /nfs/dbraw/zinc/22/74/60/1428227460.db2.gz KTVKYKRKNWKSCF-LJQANCHMSA-N 2 0 343.531 3.216 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598784 1406224158 /nfs/dbraw/zinc/22/41/58/1406224158.db2.gz ZVQXRSCMTNADSF-PMACEKPBSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698602525 1406229112 /nfs/dbraw/zinc/22/91/12/1406229112.db2.gz ZVSIFDCYRDWSDI-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001732023488 1428241202 /nfs/dbraw/zinc/24/12/02/1428241202.db2.gz OHBGIIOTMIMLAU-UXHICEINSA-N 2 0 343.515 3.251 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1c(C)cccc1C ZINC001732200372 1428451026 /nfs/dbraw/zinc/45/10/26/1428451026.db2.gz YIRULYFHHSXABX-WSTZPKSXSA-N 2 0 345.531 3.018 10 0 EGAERP CCC(CC)C[NH2+]C[C@@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001732258714 1428499255 /nfs/dbraw/zinc/49/92/55/1428499255.db2.gz DWWCOXKSSUXKKZ-XLIONFOSSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001732294148 1428517441 /nfs/dbraw/zinc/51/74/41/1428517441.db2.gz IZOWOFXQKYNXQT-WAYWQWQTSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001732316360 1428527693 /nfs/dbraw/zinc/52/76/93/1428527693.db2.gz OPGUBDYJLHXPQF-SGSXCFNPSA-N 2 0 343.515 3.233 10 0 EGAERP O=C(NCCC1CC[NH+](CCC2CC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001732324035 1428532997 /nfs/dbraw/zinc/53/29/97/1428532997.db2.gz ZUQOUUGWJWFVGR-VQTJNVASSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732516760 1428635970 /nfs/dbraw/zinc/63/59/70/1428635970.db2.gz LXDBSECNGPQABO-FQEVSTJZSA-N 2 0 345.531 3.379 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732530104 1428650540 /nfs/dbraw/zinc/65/05/40/1428650540.db2.gz GFPVLOMAJIBSFD-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732532709 1428653452 /nfs/dbraw/zinc/65/34/52/1428653452.db2.gz QGVFXJPTPCVDOF-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699101385 1412510179 /nfs/dbraw/zinc/51/01/79/1412510179.db2.gz WGPZQQFAZJURGQ-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001699190560 1412562673 /nfs/dbraw/zinc/56/26/73/1412562673.db2.gz USESLSYADKWMDR-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699220410 1412584796 /nfs/dbraw/zinc/58/47/96/1412584796.db2.gz TUBHCQUEGPHDJG-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699271252 1412607842 /nfs/dbraw/zinc/60/78/42/1412607842.db2.gz NITWVPTVQALVPB-OXUXSNCKSA-N 2 0 343.515 3.192 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)cc1 ZINC001699455085 1412799082 /nfs/dbraw/zinc/79/90/82/1412799082.db2.gz QDFQYRBTZNFPMR-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001699483013 1412878079 /nfs/dbraw/zinc/87/80/79/1412878079.db2.gz NBTKUWUWZFGREW-ZWKOTPCHSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486273 1412882319 /nfs/dbraw/zinc/88/23/19/1412882319.db2.gz GUEZKXCGUXBSBN-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699486917 1412882985 /nfs/dbraw/zinc/88/29/85/1412882985.db2.gz QYTOWVNWWSTJHD-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001699581097 1412937208 /nfs/dbraw/zinc/93/72/08/1412937208.db2.gz UVMNKNXBCCEWPI-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001699633430 1413005929 /nfs/dbraw/zinc/00/59/29/1413005929.db2.gz MSHMUSCBCCCAEW-OXQOHEQNSA-N 2 0 339.483 3.043 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001699766257 1413171033 /nfs/dbraw/zinc/17/10/33/1413171033.db2.gz CZYSLWFQLRSXEW-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001699766261 1413171282 /nfs/dbraw/zinc/17/12/82/1413171282.db2.gz DBFYWTVLVKYTQT-OALUTQOASA-N 2 0 331.504 3.059 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001699797749 1413207318 /nfs/dbraw/zinc/20/73/18/1413207318.db2.gz YMLSWTSEEIERDS-IBGZPJMESA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CCC2CCCC2)C1 ZINC001699827194 1413254063 /nfs/dbraw/zinc/25/40/63/1413254063.db2.gz VSMTUHNZRVCSQW-OAQYLSRUSA-N 2 0 349.563 3.413 10 0 EGAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001699853590 1413283472 /nfs/dbraw/zinc/28/34/72/1413283472.db2.gz MCQGKKRTPXTMFG-OAQYLSRUSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001699879559 1413345285 /nfs/dbraw/zinc/34/52/85/1413345285.db2.gz RUPUBLNGETXXNR-FQEVSTJZSA-N 2 0 337.552 3.127 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001699990125 1413437336 /nfs/dbraw/zinc/43/73/36/1413437336.db2.gz STARSENKSQXCLM-ZCNNSNEGSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001700017013 1413462932 /nfs/dbraw/zinc/46/29/32/1413462932.db2.gz LYNNCJKIHVBFOA-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCCC1 ZINC001700017561 1413463796 /nfs/dbraw/zinc/46/37/96/1413463796.db2.gz PHKYQNRTVPITCH-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001700071127 1413485836 /nfs/dbraw/zinc/48/58/36/1413485836.db2.gz XUQFXZSWVGBHNV-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001700094848 1413509340 /nfs/dbraw/zinc/50/93/40/1413509340.db2.gz OEAKTCZHRHJLKI-KRWDZBQOSA-N 2 0 343.515 3.261 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001700182390 1413597852 /nfs/dbraw/zinc/59/78/52/1413597852.db2.gz WPVLBFFOVUXZIR-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001700190751 1413619456 /nfs/dbraw/zinc/61/94/56/1413619456.db2.gz KLPXJGOPOIOLPK-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001700221247 1413667848 /nfs/dbraw/zinc/66/78/48/1413667848.db2.gz LCOFQHZFXGUFHP-FQQSSWHASA-N 2 0 349.563 3.435 10 0 EGAERP CCC1([NH2+]CCCC2CCC2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001700225056 1413676137 /nfs/dbraw/zinc/67/61/37/1413676137.db2.gz TZBUNBZVQISMNN-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]CCC3CCCC3)CC2)CCC1 ZINC001700280908 1413725877 /nfs/dbraw/zinc/72/58/77/1413725877.db2.gz CDVNVMSQTRWAEC-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001700282158 1413727936 /nfs/dbraw/zinc/72/79/36/1413727936.db2.gz NJYROSNHSMLKGA-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312430 1413767334 /nfs/dbraw/zinc/76/73/34/1413767334.db2.gz AJKSTGVUTFAFHL-AEFFLSMTSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001700316915 1413776484 /nfs/dbraw/zinc/77/64/84/1413776484.db2.gz ACSOJYXRLRMRTA-IEBWSBKVSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@H](F)C[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001700513874 1414164133 /nfs/dbraw/zinc/16/41/33/1414164133.db2.gz IXHWDUZISOBBGV-INIZCTEOSA-N 2 0 343.531 3.121 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700550920 1414220850 /nfs/dbraw/zinc/22/08/50/1414220850.db2.gz PZNVIFHBZQTOTO-JTGQJZMRSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001700615396 1414281115 /nfs/dbraw/zinc/28/11/15/1414281115.db2.gz JBGDDMJXXICFEB-GBESFXJTSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688328 1414340897 /nfs/dbraw/zinc/34/08/97/1414340897.db2.gz DLACNKSADAVWGD-HKUYNNGSSA-N 2 0 335.536 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001700753801 1414424355 /nfs/dbraw/zinc/42/43/55/1414424355.db2.gz YQSAGXIJPXQFDI-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001700753800 1414424476 /nfs/dbraw/zinc/42/44/76/1414424476.db2.gz YQSAGXIJPXQFDI-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001700841693 1414492133 /nfs/dbraw/zinc/49/21/33/1414492133.db2.gz LSTUWRKRAGTXMM-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001700862937 1414512431 /nfs/dbraw/zinc/51/24/31/1414512431.db2.gz KQZNPBGSPUGUAI-BJLQDIEVSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001700868612 1414521213 /nfs/dbraw/zinc/52/12/13/1414521213.db2.gz ROMKFEARLQNBGM-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001700921448 1414573644 /nfs/dbraw/zinc/57/36/44/1414573644.db2.gz MQWGIGVMKOGNDL-GOSISDBHSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)C[NH+](C)C(C)C ZINC001700980874 1414621017 /nfs/dbraw/zinc/62/10/17/1414621017.db2.gz NZRFNXUHVDKDLR-UHFFFAOYSA-N 2 0 339.568 3.466 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001701010346 1414668873 /nfs/dbraw/zinc/66/88/73/1414668873.db2.gz YAUCWOBCPABCOM-DDRDIHNTSA-N 2 0 349.563 3.434 10 0 EGAERP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CCCC2CCCC2)C1 ZINC001701020922 1414681800 /nfs/dbraw/zinc/68/18/00/1414681800.db2.gz VLCQOJOPIZJBKF-UHFFFAOYSA-N 2 0 347.547 3.164 10 0 EGAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001701025286 1414686302 /nfs/dbraw/zinc/68/63/02/1414686302.db2.gz FLQRAAXLZWVEPV-SREVYHEPSA-N 2 0 343.515 3.297 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001732606688 1428861521 /nfs/dbraw/zinc/86/15/21/1428861521.db2.gz RJKHYMMFLIDJJN-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001732735069 1428935897 /nfs/dbraw/zinc/93/58/97/1428935897.db2.gz USQXCGAAKGNHCC-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732783115 1428968056 /nfs/dbraw/zinc/96/80/56/1428968056.db2.gz XMEBTAAKHDKWLS-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732803042 1428981897 /nfs/dbraw/zinc/98/18/97/1428981897.db2.gz UICQEDPDYKXJGA-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccc(Cl)cc1)C(=O)C[N@H+](C)C(C)C ZINC001732812096 1428989762 /nfs/dbraw/zinc/98/97/62/1428989762.db2.gz KTFZIZVSQTWJCD-HNNXBMFYSA-N 2 0 339.911 3.179 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941875 1429066611 /nfs/dbraw/zinc/06/66/11/1429066611.db2.gz HCBZELMPCAJKLG-RURPWVQCSA-N 2 0 349.563 3.339 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001733037530 1429163937 /nfs/dbraw/zinc/16/39/37/1429163937.db2.gz IVNNWILMGUUDKF-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP CC[C@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001707072025 1417184121 /nfs/dbraw/zinc/18/41/21/1417184121.db2.gz BLOGKQPOGXLQNF-IPELMVKDSA-N 2 0 349.494 3.101 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001707235015 1417256123 /nfs/dbraw/zinc/25/61/23/1417256123.db2.gz PPZMYZNEZWZOOG-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001707246736 1417263741 /nfs/dbraw/zinc/26/37/41/1417263741.db2.gz NJGRVMSFRKMCLL-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707247412 1417264803 /nfs/dbraw/zinc/26/48/03/1417264803.db2.gz PTPOCLDEUKXOHD-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001707281501 1417291945 /nfs/dbraw/zinc/29/19/45/1417291945.db2.gz PLYHTXJXXDRGBN-DUMMIQTOSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1F ZINC001707376638 1417300860 /nfs/dbraw/zinc/30/08/60/1417300860.db2.gz CWQQRPXXIDYKCT-VQIMIIECSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)Cc2ccc(C)cc2)C1 ZINC001707400225 1417314496 /nfs/dbraw/zinc/31/44/96/1417314496.db2.gz MVFULSHMHAYVCE-HXUWFJFHSA-N 2 0 345.531 3.055 10 0 EGAERP CC1CC(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001707400627 1417315136 /nfs/dbraw/zinc/31/51/36/1417315136.db2.gz RXLUHRHQAFJGHH-AFMYVXGZSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001707418896 1417327347 /nfs/dbraw/zinc/32/73/47/1417327347.db2.gz XUSMTUVNJLGYAR-APWZRJJASA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001707437945 1417342286 /nfs/dbraw/zinc/34/22/86/1417342286.db2.gz QNKSKFNBUOZFDK-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](CC)CCCNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001707470731 1417371621 /nfs/dbraw/zinc/37/16/21/1417371621.db2.gz AKYRSNXBGDCPFU-MJGOQNOKSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccc(F)cc1 ZINC001712950210 1417509179 /nfs/dbraw/zinc/50/91/79/1417509179.db2.gz FWENVHOTCCDBDK-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP C[N@H+](CCCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CCC2(CC2)CC1 ZINC001712952831 1417509790 /nfs/dbraw/zinc/50/97/90/1417509790.db2.gz UZPHWPWBSZYDRR-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001712962888 1417517553 /nfs/dbraw/zinc/51/75/53/1417517553.db2.gz GFKNDSYDRPLTBM-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCCC1 ZINC001712976611 1417529629 /nfs/dbraw/zinc/52/96/29/1417529629.db2.gz GHDJKKHDYDFPSH-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001713004999 1417559143 /nfs/dbraw/zinc/55/91/43/1417559143.db2.gz ZTGAWVJWTRURFC-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713061125 1417617238 /nfs/dbraw/zinc/61/72/38/1417617238.db2.gz SQPYAUFPNQIZFZ-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713064594 1417622480 /nfs/dbraw/zinc/62/24/80/1417622480.db2.gz ZPFGCRLTTWUNJL-PHWHVTFISA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001713141852 1417723708 /nfs/dbraw/zinc/72/37/08/1417723708.db2.gz MORWAFMBMMGXJT-ZCNNSNEGSA-N 2 0 349.563 3.218 10 0 EGAERP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001713202992 1417773433 /nfs/dbraw/zinc/77/34/33/1417773433.db2.gz XHTGCTVFODATDW-YSIASYRMSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713208598 1417779040 /nfs/dbraw/zinc/77/90/40/1417779040.db2.gz RQAAUHHRUMBJFK-BQWVTDQKSA-N 2 0 335.536 3.090 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713233383 1417819765 /nfs/dbraw/zinc/81/97/65/1417819765.db2.gz QKQFKEUMBNTQES-IPLHWJFFSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001713244457 1417831009 /nfs/dbraw/zinc/83/10/09/1417831009.db2.gz OVWXUUYKZGOBFM-RBUKOAKNSA-N 2 0 345.531 3.308 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001713254224 1417850807 /nfs/dbraw/zinc/85/08/07/1417850807.db2.gz YWSIDRMAOFDZHQ-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001713263364 1417871452 /nfs/dbraw/zinc/87/14/52/1417871452.db2.gz KVFNWIAKLXGBHR-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001713275485 1417892744 /nfs/dbraw/zinc/89/27/44/1417892744.db2.gz JIDZQQYEUOILKS-PKOBYXMFSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001713287351 1417914199 /nfs/dbraw/zinc/91/41/99/1417914199.db2.gz YZMBSIKDLWNFHY-KPDFHHOSSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001713365511 1417978330 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345.531 3.232 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001733105384 1429244112 /nfs/dbraw/zinc/24/41/12/1429244112.db2.gz WNIRWNUAWJYOJA-IRXDYDNUSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCCCC1 ZINC001713515098 1418249400 /nfs/dbraw/zinc/24/94/00/1418249400.db2.gz OJUVXKMDWGZRPH-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001733106552 1429244643 /nfs/dbraw/zinc/24/46/43/1429244643.db2.gz QUZXTMSXKJOIRZ-SFHVURJKSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1)c1ccc(F)cc1 ZINC001733106551 1429244705 /nfs/dbraw/zinc/24/47/05/1429244705.db2.gz QUZXTMSXKJOIRZ-GOSISDBHSA-N 2 0 349.494 3.199 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001713519501 1418260464 /nfs/dbraw/zinc/26/04/64/1418260464.db2.gz CSXMEVSLQSPGOM-GOSISDBHSA-N 2 0 349.544 3.095 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001713540265 1418300237 /nfs/dbraw/zinc/30/02/37/1418300237.db2.gz WENJKKRMDULQRZ-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1cccc(F)c1 ZINC001713551859 1418335435 /nfs/dbraw/zinc/33/54/35/1418335435.db2.gz CIOVHRJIHBXXES-IAGOWNOFSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001713558458 1418353646 /nfs/dbraw/zinc/35/36/46/1418353646.db2.gz KKSXEHZXRVQDNQ-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1 ZINC001713692640 1418446268 /nfs/dbraw/zinc/44/62/68/1418446268.db2.gz OLCBLEFYCLFBCF-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001713700148 1418456682 /nfs/dbraw/zinc/45/66/82/1418456682.db2.gz BJDFDPFBFGSWIB-PXNSSMCTSA-N 2 0 349.494 3.054 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001713699834 1418456804 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LTBCXGWZSRGYIA-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713938265 1418727479 /nfs/dbraw/zinc/72/74/79/1418727479.db2.gz SWQCASNSJPLUST-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714019082 1418800522 /nfs/dbraw/zinc/80/05/22/1418800522.db2.gz QMUUKZUUNPAALG-WYNBNGFRSA-N 2 0 335.536 3.140 10 0 EGAERP CCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714040285 1418829762 /nfs/dbraw/zinc/82/97/62/1418829762.db2.gz VUJBZHHCLSNHBV-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001714047502 1418844534 /nfs/dbraw/zinc/84/45/34/1418844534.db2.gz AKNSBOOEBKLFSM-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2cccc(F)c2)C1 ZINC001714053783 1418852488 /nfs/dbraw/zinc/85/24/88/1418852488.db2.gz NIJGCLHCGSLQER-QFBILLFUSA-N 2 0 349.494 3.150 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001714070883 1418866448 /nfs/dbraw/zinc/86/64/48/1418866448.db2.gz CQYQVKXYPITSFS-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714086217 1418879468 /nfs/dbraw/zinc/87/94/68/1418879468.db2.gz JLQKWIMVIWPFTG-SFFCAUCYSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001714106499 1418905750 /nfs/dbraw/zinc/90/57/50/1418905750.db2.gz AREQXMFYIXMFIV-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC1CC[NH+](CC(=O)NC2(C[NH2+]CCCC3CCC3)CCCC2)CC1 ZINC001714145536 1418950053 /nfs/dbraw/zinc/95/00/53/1418950053.db2.gz YULCQYMJANGVII-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714187091 1418994220 /nfs/dbraw/zinc/99/42/20/1418994220.db2.gz GSGFEENEZYCFTD-BKBBAENRSA-N 2 0 335.536 3.233 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001714187508 1418994642 /nfs/dbraw/zinc/99/46/42/1418994642.db2.gz JGQVAMNKQZNMME-GHTZIAJQSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001714187509 1418994726 /nfs/dbraw/zinc/99/47/26/1418994726.db2.gz JGQVAMNKQZNMME-NQIIRXRSSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714224762 1419018882 /nfs/dbraw/zinc/01/88/82/1419018882.db2.gz IKUJQIGAOOCTRD-GOSISDBHSA-N 2 0 337.552 3.149 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714228157 1419021306 /nfs/dbraw/zinc/02/13/06/1419021306.db2.gz BZPDLOZVYTUXOP-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714267288 1419048451 /nfs/dbraw/zinc/04/84/51/1419048451.db2.gz KXNMKUNDIPJBND-XLIONFOSSA-N 2 0 347.547 3.378 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]C/C=C\Cl)cc1 ZINC001714323928 1419102768 /nfs/dbraw/zinc/10/27/68/1419102768.db2.gz VECQAUTWDVEOBO-RKMNRJFLSA-N 2 0 349.906 3.019 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714403305 1419145500 /nfs/dbraw/zinc/14/55/00/1419145500.db2.gz LNVIZIHGXXFNNI-DUFJLWIISA-N 2 0 347.547 3.236 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714414039 1419151987 /nfs/dbraw/zinc/15/19/87/1419151987.db2.gz ZIBLYOHJCDOMGH-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001714439388 1419170723 /nfs/dbraw/zinc/17/07/23/1419170723.db2.gz QTUDBEMRSOGMEV-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714520234 1419245949 /nfs/dbraw/zinc/24/59/49/1419245949.db2.gz LJKVPZXSMSARON-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001714523274 1419248981 /nfs/dbraw/zinc/24/89/81/1419248981.db2.gz IFRCVWBPWSZZQW-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001714525395 1419251373 /nfs/dbraw/zinc/25/13/73/1419251373.db2.gz WYDIEWZFAVJHPB-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714571310 1419303072 /nfs/dbraw/zinc/30/30/72/1419303072.db2.gz BTKHUTBIKRBBKX-WOJBJXKFSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1cccc(F)c1 ZINC001714585629 1419327237 /nfs/dbraw/zinc/32/72/37/1419327237.db2.gz YYRPBRLXRGXOJC-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714637024 1419407877 /nfs/dbraw/zinc/40/78/77/1419407877.db2.gz KOZJIIDILNCTGG-LAQIPUCWSA-N 2 0 340.471 3.051 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]CCN(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714723168 1419484072 /nfs/dbraw/zinc/48/40/72/1419484072.db2.gz LOVALHYLKKEZIS-RBUKOAKNSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001714748497 1419492618 /nfs/dbraw/zinc/49/26/18/1419492618.db2.gz HSNNKMSMOCMTIS-WMZOPIPTSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795868 1419512531 /nfs/dbraw/zinc/51/25/31/1419512531.db2.gz BVMAGVRMQOINRY-LPHOPBHVSA-N 2 0 349.494 3.055 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001733220114 1429339863 /nfs/dbraw/zinc/33/98/63/1429339863.db2.gz RZGFCNZVZNIPME-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714865717 1419592004 /nfs/dbraw/zinc/59/20/04/1419592004.db2.gz QIMLISYRLNWZJT-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001714873697 1419606814 /nfs/dbraw/zinc/60/68/14/1419606814.db2.gz QMDFZGBZIGQCJB-HKUYNNGSSA-N 2 0 331.504 3.012 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001715023749 1419755146 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3.317 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]CCC3CC3)CCCC2)cc1 ZINC001715100440 1419841231 /nfs/dbraw/zinc/84/12/31/1419841231.db2.gz IDXFIGJOFRQPNJ-UHFFFAOYSA-N 2 0 343.515 3.181 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001715137685 1419886084 /nfs/dbraw/zinc/88/60/84/1419886084.db2.gz ZDDAMFIPHSTCJG-YLJYHZDGSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238351 1429380337 /nfs/dbraw/zinc/38/03/37/1429380337.db2.gz SZAPKKNXOWRNPR-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCCCCC2)CC1 ZINC001715165886 1419905387 /nfs/dbraw/zinc/90/53/87/1419905387.db2.gz UGKXDWMAQSHDHQ-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001715175875 1419911258 /nfs/dbraw/zinc/91/12/58/1419911258.db2.gz KHVJUVHUHOBZJT-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001715175871 1419911428 /nfs/dbraw/zinc/91/14/28/1419911428.db2.gz KHVJUVHUHOBZJT-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715192149 1419923985 /nfs/dbraw/zinc/92/39/85/1419923985.db2.gz RDTVLDNLQONQEX-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(NCC1([NH2+]CC2=CCCCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001733249198 1429396222 /nfs/dbraw/zinc/39/62/22/1429396222.db2.gz JSCBICZTWROXAE-IBGZPJMESA-N 2 0 345.531 3.132 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001715450094 1420133201 /nfs/dbraw/zinc/13/32/01/1420133201.db2.gz ZOLIBGXWLPTDDS-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H](CC[NH2+]CCCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001715659037 1420282681 /nfs/dbraw/zinc/28/26/81/1420282681.db2.gz VGMAHKOGUUGXLP-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccc2ccccc2c1)C(=O)CC[NH+](C)C ZINC001715756981 1420328309 /nfs/dbraw/zinc/32/83/09/1420328309.db2.gz XJSSMCNPWPOQCJ-QGZVFWFLSA-N 2 0 341.499 3.291 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001715877119 1420379546 /nfs/dbraw/zinc/37/95/46/1420379546.db2.gz UXNMYDMGKWCOBL-OKQSBHACSA-N 2 0 349.906 3.005 10 0 EGAERP CC[C@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001715884662 1420382626 /nfs/dbraw/zinc/38/26/26/1420382626.db2.gz INKNKHXSNHYAPS-AQWUKCDYSA-N 2 0 343.515 3.132 10 0 EGAERP CC(C)(C)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001715888417 1420384168 /nfs/dbraw/zinc/38/41/68/1420384168.db2.gz ZKTPBRBMMYBXQA-VMLVWOMUSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CC2CCCCCC2)C1 ZINC001715991550 1420447024 /nfs/dbraw/zinc/44/70/24/1420447024.db2.gz PDULEOKEUJQMKI-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001715992533 1420447564 /nfs/dbraw/zinc/44/75/64/1420447564.db2.gz JOVPVQRAHXWAEY-JENIJYKNSA-N 2 0 333.520 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001716024373 1420481004 /nfs/dbraw/zinc/48/10/04/1420481004.db2.gz MJKQJDXIDRNAIG-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716028834 1420486686 /nfs/dbraw/zinc/48/66/86/1420486686.db2.gz KYWSIXMXVZSPFB-MBOZVWFJSA-N 2 0 345.531 3.087 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716041955 1420503803 /nfs/dbraw/zinc/50/38/03/1420503803.db2.gz NZOPFLBXCYFECG-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716145715 1420540998 /nfs/dbraw/zinc/54/09/98/1420540998.db2.gz KTGYNNPUEDBCBE-VQIMIIECSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1cc(C)c(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001716146796 1420541500 /nfs/dbraw/zinc/54/15/00/1420541500.db2.gz ZEKSCEMMAQKQGK-GOSISDBHSA-N 2 0 345.531 3.081 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716236067 1420576168 /nfs/dbraw/zinc/57/61/68/1420576168.db2.gz XXOCISFPHJANSR-NSHGMRRFSA-N 2 0 345.531 3.224 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cccc(C)c1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716236066 1420576368 /nfs/dbraw/zinc/57/63/68/1420576368.db2.gz XXOCISFPHJANSR-BJLQDIEVSA-N 2 0 345.531 3.224 10 0 EGAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001716254925 1420584757 /nfs/dbraw/zinc/58/47/57/1420584757.db2.gz BRNTWRFHZZTRQL-PMBGHPPTSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716303563 1420598548 /nfs/dbraw/zinc/59/85/48/1420598548.db2.gz PYZLXXDZTWBXQP-HPFMTEOYSA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(F)c1 ZINC001716378206 1420624065 /nfs/dbraw/zinc/62/40/65/1420624065.db2.gz HCJJOMNWSCWEKK-FOSBAXRVSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716399310 1420634043 /nfs/dbraw/zinc/63/40/43/1420634043.db2.gz FGQMGPYJZFUCLZ-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001716455159 1420670230 /nfs/dbraw/zinc/67/02/30/1420670230.db2.gz QPIFDYDNRZIXJS-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001716477311 1420692892 /nfs/dbraw/zinc/69/28/92/1420692892.db2.gz FKFYTTJFEKDYDM-MRDYICJFSA-N 2 0 343.515 3.009 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001716491868 1420713203 /nfs/dbraw/zinc/71/32/03/1420713203.db2.gz HJQOUKUYOPKVSB-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001716508997 1420741074 /nfs/dbraw/zinc/74/10/74/1420741074.db2.gz USGZAFBFILCPCN-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658190 1420811917 /nfs/dbraw/zinc/81/19/17/1420811917.db2.gz BHXZRYPPUHIDIC-ZWKOTPCHSA-N 2 0 343.515 3.121 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658712 1420812835 /nfs/dbraw/zinc/81/28/35/1420812835.db2.gz LMTFGSPPVBKTHD-RTBURBONSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665217 1420819567 /nfs/dbraw/zinc/81/95/67/1420819567.db2.gz IRFVSWUWRYZBBG-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H]2CNC(=O)C[NH+]2CCCC2)cc1 ZINC001716671272 1420827372 /nfs/dbraw/zinc/82/73/72/1420827372.db2.gz LVULGQDRLDAROQ-PXNSSMCTSA-N 2 0 343.515 3.157 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001716683052 1420836843 /nfs/dbraw/zinc/83/68/43/1420836843.db2.gz RDOMKSLLXQFECO-IEBWSBKVSA-N 2 0 343.515 3.169 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)CC(C)(C)C ZINC001716693345 1420846418 /nfs/dbraw/zinc/84/64/18/1420846418.db2.gz IBVGLZFTDZBIRH-UHFFFAOYSA-N 2 0 335.536 3.093 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCC[NH+](CC2CCCC2)C2CCCCCC2)C1 ZINC001716714628 1420869751 /nfs/dbraw/zinc/86/97/51/1420869751.db2.gz SIJAELGXVUOIIG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCC(C)(C)C)C[C@H]1C ZINC001716771251 1420915030 /nfs/dbraw/zinc/91/50/30/1420915030.db2.gz TUOJHJKMWQAMEQ-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1 ZINC001716819090 1420945743 /nfs/dbraw/zinc/94/57/43/1420945743.db2.gz QOLQSAQHMRSJBT-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@](C)(NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001716847871 1420975751 /nfs/dbraw/zinc/97/57/51/1420975751.db2.gz SPYZJGSWFVWPIM-NRFANRHFSA-N 2 0 345.531 3.232 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001716887603 1421011310 /nfs/dbraw/zinc/01/13/10/1421011310.db2.gz RWNIIIZLKZFEOV-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030899 1421084837 /nfs/dbraw/zinc/08/48/37/1421084837.db2.gz GSTGSEXFTRJSFI-UMPVYUTHSA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CCCCCC3)C[C@H]21 ZINC001717042662 1421097570 /nfs/dbraw/zinc/09/75/70/1421097570.db2.gz BAUFMGMJVOCHPM-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001717241350 1421210010 /nfs/dbraw/zinc/21/00/10/1421210010.db2.gz IERTZTMEDFCUMY-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001717248371 1421219953 /nfs/dbraw/zinc/21/99/53/1421219953.db2.gz YCMSPAXTDWUYKM-TZIWHRDSSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001717248370 1421220187 /nfs/dbraw/zinc/22/01/87/1421220187.db2.gz YCMSPAXTDWUYKM-PZJWPPBQSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001717301200 1421243763 /nfs/dbraw/zinc/24/37/63/1421243763.db2.gz HKFGAQPXJWROJQ-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+](CC)CC ZINC001717311015 1421254720 /nfs/dbraw/zinc/25/47/20/1421254720.db2.gz RPKCNJAWUNUXNX-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)cc1 ZINC001717313116 1421258858 /nfs/dbraw/zinc/25/88/58/1421258858.db2.gz LJDROLORQQHSRY-IBGZPJMESA-N 2 0 345.531 3.052 10 0 EGAERP CCC/C=C/CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001717354594 1421288705 /nfs/dbraw/zinc/28/87/05/1421288705.db2.gz HFJZLWDAJOODMY-AQKVLALTSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C(C)(C)C)cc1)[C@H](C)NC(=O)CCC[NH+](C)C ZINC001717424130 1421353492 /nfs/dbraw/zinc/35/34/92/1421353492.db2.gz BMZLSFWIZVLWDT-SJORKVTESA-N 2 0 347.547 3.309 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001717447753 1421377229 /nfs/dbraw/zinc/37/72/29/1421377229.db2.gz TYSOGQKWLRPPAY-SOAGJPPSSA-N 2 0 349.563 3.432 10 0 EGAERP CN(CC(C)(C)C[NH2+]C/C=C\Cl)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717452703 1421382449 /nfs/dbraw/zinc/38/24/49/1421382449.db2.gz OKBGITVFNXAOBF-KTKRTIGZSA-N 2 0 343.943 3.078 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CCC(C)(C)C ZINC001717471382 1421404366 /nfs/dbraw/zinc/40/43/66/1421404366.db2.gz ASQVEQLUWPTZOJ-MRXNPFEDSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCC1=CCCCC1 ZINC001717483727 1421419205 /nfs/dbraw/zinc/41/92/05/1421419205.db2.gz NPRJJEQDPMMEJE-KRWDZBQOSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001717526513 1421462063 /nfs/dbraw/zinc/46/20/63/1421462063.db2.gz GLJXLLWEKJEZOK-XQQSMPNESA-N 2 0 347.547 3.237 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001717527853 1421463654 /nfs/dbraw/zinc/46/36/54/1421463654.db2.gz DHCAWYOSUJVMLW-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001717587903 1421516402 /nfs/dbraw/zinc/51/64/02/1421516402.db2.gz OUQRPKDOVAWLDK-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H]([NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC001717758658 1421621435 /nfs/dbraw/zinc/62/14/35/1421621435.db2.gz ZHDMULWYJLRRHM-YJBOKZPZSA-N 2 0 337.483 3.054 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001717804514 1421631212 /nfs/dbraw/zinc/63/12/12/1421631212.db2.gz FSYALOLSCKVOJC-WFRZBGSESA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001717806408 1421631914 /nfs/dbraw/zinc/63/19/14/1421631914.db2.gz UQMDYVVNWKBATQ-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717818667 1421637059 /nfs/dbraw/zinc/63/70/59/1421637059.db2.gz OXUGPDGREGHBPL-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001718033435 1421785587 /nfs/dbraw/zinc/78/55/87/1421785587.db2.gz KEPDQSHTTMFKIR-FQEVSTJZSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F)[NH+](CC)CC ZINC001733348244 1429529840 /nfs/dbraw/zinc/52/98/40/1429529840.db2.gz IKJMGXLMXDJNHJ-HKUYNNGSSA-N 2 0 349.494 3.027 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)CC1 ZINC001733346679 1429528750 /nfs/dbraw/zinc/52/87/50/1429528750.db2.gz DMNMWNADOOCCHD-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001733382996 1429568383 /nfs/dbraw/zinc/56/83/83/1429568383.db2.gz KWFQWBREIWTHHQ-HXIOPBFGSA-N 2 0 349.563 3.338 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733450375 1429662009 /nfs/dbraw/zinc/66/20/09/1429662009.db2.gz IJYREUKJYPZLLI-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733451607 1429664147 /nfs/dbraw/zinc/66/41/47/1429664147.db2.gz FCOQNJNHVUYZKO-WAYWQWQTSA-N 2 0 349.563 3.293 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733469652 1429704078 /nfs/dbraw/zinc/70/40/78/1429704078.db2.gz YDYRAWQPFNLKPZ-FNEOHHHZSA-N 2 0 349.563 3.437 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001722916727 1424253951 /nfs/dbraw/zinc/25/39/51/1424253951.db2.gz OBQGEIJFOBWZFS-QAPCUYQASA-N 2 0 337.483 3.054 10 0 EGAERP CN(CCC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001723052779 1424293715 /nfs/dbraw/zinc/29/37/15/1424293715.db2.gz SDIQQOAIGMANOA-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C2CC[NH+](CC=C(C)C)CC2)C1 ZINC001733514808 1429723949 /nfs/dbraw/zinc/72/39/49/1429723949.db2.gz SHTWTOPJMSIKSO-FQEVSTJZSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C2CC[NH+](CC=C(C)C)CC2)C1 ZINC001733514809 1429723967 /nfs/dbraw/zinc/72/39/67/1429723967.db2.gz SHTWTOPJMSIKSO-HXUWFJFHSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001723720501 1424546622 /nfs/dbraw/zinc/54/66/22/1424546622.db2.gz APBIUEASXAJSMY-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)cc1 ZINC001723862359 1424590692 /nfs/dbraw/zinc/59/06/92/1424590692.db2.gz SLGLAGWMYOWXCS-PXNSSMCTSA-N 2 0 345.531 3.231 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C[C@@H]1C ZINC001723873839 1424594310 /nfs/dbraw/zinc/59/43/10/1424594310.db2.gz JGXIAIUTMOCXMC-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001723920467 1424604442 /nfs/dbraw/zinc/60/44/42/1424604442.db2.gz HLZFCITZSGGUHQ-KRWDZBQOSA-N 2 0 342.487 3.417 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001723982347 1424617987 /nfs/dbraw/zinc/61/79/87/1424617987.db2.gz XBEUNUKHUOZHFZ-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+]([C@@H](C)c2ccccc2F)CC1 ZINC001724026396 1424633989 /nfs/dbraw/zinc/63/39/89/1424633989.db2.gz RVXOARHLZMFAAS-INIZCTEOSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733538337 1429744800 /nfs/dbraw/zinc/74/48/00/1429744800.db2.gz NIANLRSEIMBTCO-IRXDYDNUSA-N 2 0 339.568 3.227 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724172154 1424706258 /nfs/dbraw/zinc/70/62/58/1424706258.db2.gz ACZRWOGYROYBMK-RXVVDRJESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724172679 1424707058 /nfs/dbraw/zinc/70/70/58/1424707058.db2.gz DSMYXHIQGQFRTN-LJQANCHMSA-N 2 0 325.541 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001724269098 1424764652 /nfs/dbraw/zinc/76/46/52/1424764652.db2.gz SXTPTJQTMWUHMX-TZIWHRDSSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001724325588 1424814721 /nfs/dbraw/zinc/81/47/21/1424814721.db2.gz ZDZQUGAUUHPVCR-UYAOXDASSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CCCC2)C3)CCC1 ZINC001724501869 1424878661 /nfs/dbraw/zinc/87/86/61/1424878661.db2.gz PIKSDZZMILBTQG-FHWLQOOXSA-N 2 0 347.547 3.020 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001724653348 1425017316 /nfs/dbraw/zinc/01/73/16/1425017316.db2.gz QJEZWFCCDREJKY-MDVNVLNJSA-N 2 0 349.563 3.384 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001724659937 1425040892 /nfs/dbraw/zinc/04/08/92/1425040892.db2.gz UUVLPAWNWPXOHQ-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724721678 1425073301 /nfs/dbraw/zinc/07/33/01/1425073301.db2.gz DXZGAFAJLOCHSL-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001724743637 1425112258 /nfs/dbraw/zinc/11/22/58/1425112258.db2.gz FPSIXZQDWPMDOD-QGZVFWFLSA-N 2 0 343.515 3.406 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCCCC2)CCC1 ZINC001724782415 1425147674 /nfs/dbraw/zinc/14/76/74/1425147674.db2.gz BYOZOYSXIIWMIS-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724835242 1425182349 /nfs/dbraw/zinc/18/23/49/1425182349.db2.gz PLUWQJDLUNQPJR-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001724853676 1425220960 /nfs/dbraw/zinc/22/09/60/1425220960.db2.gz NFIFCLOVPUMUNS-UHFFFAOYSA-N 2 0 339.568 3.467 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)CCCN(C)C(=O)C[C@H]2CC[NH+](C)C2)c1 ZINC001724858378 1425236143 /nfs/dbraw/zinc/23/61/43/1425236143.db2.gz UFGTZDJNVGODRU-RBUKOAKNSA-N 2 0 345.531 3.178 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001724858651 1425238300 /nfs/dbraw/zinc/23/83/00/1425238300.db2.gz ZQONXHBBGSLSEG-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)CC1CCCC1)[NH+]1CCCC1 ZINC001724860412 1425242978 /nfs/dbraw/zinc/24/29/78/1425242978.db2.gz OCPJBCXLDAUIKJ-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001724890707 1425277513 /nfs/dbraw/zinc/27/75/13/1425277513.db2.gz QLYQPCJAMVNMGK-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CC3CC3)C2)C1 ZINC001724897898 1425291761 /nfs/dbraw/zinc/29/17/61/1425291761.db2.gz KLVMVDFAGJTQKB-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001724960969 1425349808 /nfs/dbraw/zinc/34/98/08/1425349808.db2.gz HIDKSXKNHUTULN-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001724963532 1425353283 /nfs/dbraw/zinc/35/32/83/1425353283.db2.gz PZHQQAKOXKGWSM-LJQANCHMSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001724980230 1425381695 /nfs/dbraw/zinc/38/16/95/1425381695.db2.gz TYILAXNOVWXEBI-YBXURTSQSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@@H]1C ZINC001724991751 1425394633 /nfs/dbraw/zinc/39/46/33/1425394633.db2.gz MBGMALNSNPDJDE-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993941 1425398505 /nfs/dbraw/zinc/39/85/05/1425398505.db2.gz HJUWHEVGFCSKPQ-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](CC)[NH+](C)C)c1ccccc1 ZINC001725029474 1425449179 /nfs/dbraw/zinc/44/91/79/1425449179.db2.gz JXGXAQGQZHQTFI-XUVXKRRUSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc21 ZINC001725149073 1425632775 /nfs/dbraw/zinc/63/27/75/1425632775.db2.gz YCXVFSVVSVQQCQ-IBGZPJMESA-N 2 0 345.531 3.088 10 0 EGAERP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001725159161 1425654408 /nfs/dbraw/zinc/65/44/08/1425654408.db2.gz HACLOTQBYCKYGR-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CC(C)(C)C1 ZINC001725163154 1425664210 /nfs/dbraw/zinc/66/42/10/1425664210.db2.gz BMFZMWNNGVVQID-QFBILLFUSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001725171493 1425681235 /nfs/dbraw/zinc/68/12/35/1425681235.db2.gz IDMRBAJWQLTDFY-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001725172336 1425682477 /nfs/dbraw/zinc/68/24/77/1425682477.db2.gz LADKODODYPBYDO-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001725241979 1425849311 /nfs/dbraw/zinc/84/93/11/1425849311.db2.gz RIVQELLULZZRAP-SFHVURJKSA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001725299296 1425947907 /nfs/dbraw/zinc/94/79/07/1425947907.db2.gz QVCVSQAXUYAMAU-RURPWVQCSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001725335413 1425980075 /nfs/dbraw/zinc/98/00/75/1425980075.db2.gz PZTSAUMEKFLLBD-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001725360714 1426010703 /nfs/dbraw/zinc/01/07/03/1426010703.db2.gz YYLHUQWJIXFHIH-SXWQNMERSA-N 2 0 347.547 3.234 10 0 EGAERP CC[C@@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725401371 1426045345 /nfs/dbraw/zinc/04/53/45/1426045345.db2.gz ZNXGFLBLNVYMKD-HUUCEWRRSA-N 2 0 330.476 3.177 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001725519151 1426210481 /nfs/dbraw/zinc/21/04/81/1426210481.db2.gz AMDBNQYVSSQYBJ-ICSRJNTNSA-N 2 0 345.531 3.134 10 0 EGAERP CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725600817 1426256625 /nfs/dbraw/zinc/25/66/25/1426256625.db2.gz SHKBYMRKKKMVFV-NVXWUHKLSA-N 2 0 342.487 3.416 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001725606924 1426263958 /nfs/dbraw/zinc/26/39/58/1426263958.db2.gz BANVSMGHZOQXBC-ZVDOUQERSA-N 2 0 347.547 3.330 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001725608117 1426266140 /nfs/dbraw/zinc/26/61/40/1426266140.db2.gz CZCNHRXFBVYJDW-LWSFWUPFSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001725682306 1426370406 /nfs/dbraw/zinc/37/04/06/1426370406.db2.gz QXKOIDOKMRGLGB-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725737678 1426412301 /nfs/dbraw/zinc/41/23/01/1426412301.db2.gz DWMJVRAIVDXRGA-ROUUACIJSA-N 2 0 339.568 3.416 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)CCC1 ZINC001725739333 1426414190 /nfs/dbraw/zinc/41/41/90/1426414190.db2.gz MZWUPTDUEWPKDS-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725755214 1426434071 /nfs/dbraw/zinc/43/40/71/1426434071.db2.gz FXVIECAFANSJAW-ZWKOTPCHSA-N 2 0 339.568 3.273 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001725824209 1426498618 /nfs/dbraw/zinc/49/86/18/1426498618.db2.gz APZHUGHQYIAABW-OALUTQOASA-N 2 0 349.563 3.293 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC2=CCCCC2)C1 ZINC001731277530 1427222437 /nfs/dbraw/zinc/22/24/37/1427222437.db2.gz IPJNGOJATYNPGK-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001731294499 1427236659 /nfs/dbraw/zinc/23/66/59/1427236659.db2.gz RGNXGLOUPDONIH-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295518 1427238015 /nfs/dbraw/zinc/23/80/15/1427238015.db2.gz DWUGIKLDOPBUQW-FUHWJXTLSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC1CCC(C)CC1 ZINC001731321793 1427261837 /nfs/dbraw/zinc/26/18/37/1427261837.db2.gz FPAOWBVMRPYKMM-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)CC1CC2(CCC2)C1 ZINC001731324203 1427265006 /nfs/dbraw/zinc/26/50/06/1427265006.db2.gz ULRLTGFJFYBJBV-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001731386482 1427332390 /nfs/dbraw/zinc/33/23/90/1427332390.db2.gz VDGKCPMAKGTXQG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391595 1427343881 /nfs/dbraw/zinc/34/38/81/1427343881.db2.gz HMQSNAVDHQPFHE-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731488221 1427462791 /nfs/dbraw/zinc/46/27/91/1427462791.db2.gz RKJYXVLKVVZCJR-INDMIFKZSA-N 2 0 337.552 3.168 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001731519996 1427508491 /nfs/dbraw/zinc/50/84/91/1427508491.db2.gz USWVUIJHXPJDIK-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001731536247 1427533656 /nfs/dbraw/zinc/53/36/56/1427533656.db2.gz NBZWGVBFNRSEAP-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001731538822 1427541119 /nfs/dbraw/zinc/54/11/19/1427541119.db2.gz QGLOQFFLHBNRLE-PHWHVTFISA-N 2 0 347.547 3.332 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001731541836 1427551276 /nfs/dbraw/zinc/55/12/76/1427551276.db2.gz DLVGUGFUXDWQNL-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001731548863 1427566248 /nfs/dbraw/zinc/56/62/48/1427566248.db2.gz JYJZXOLXVUZMHQ-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)CCC1 ZINC001731568866 1427608328 /nfs/dbraw/zinc/60/83/28/1427608328.db2.gz FUORXPSGEXCJSA-UHFFFAOYSA-N 2 0 349.563 3.458 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]Cc2ccsc2)CC1 ZINC001731569260 1427608889 /nfs/dbraw/zinc/60/88/89/1427608889.db2.gz WJOGIUREEMMJJT-DAWZGUTISA-N 2 0 349.544 3.140 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001731701140 1427753216 /nfs/dbraw/zinc/75/32/16/1427753216.db2.gz UOVYTZPBWBNESF-RBUKOAKNSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001731701460 1427753828 /nfs/dbraw/zinc/75/38/28/1427753828.db2.gz WHDIIHYCZSDZBS-WOJBJXKFSA-N 2 0 347.547 3.092 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731753789 1427850719 /nfs/dbraw/zinc/85/07/19/1427850719.db2.gz SUZLLAJMBXZEMY-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cc(C)c(C[NH+](C)CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC001731796278 1427950140 /nfs/dbraw/zinc/95/01/40/1427950140.db2.gz YXEPRSPXSVPDPO-KDURUIRLSA-N 2 0 345.531 3.033 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001731860543 1428099679 /nfs/dbraw/zinc/09/96/79/1428099679.db2.gz LULAOZWZCURVRU-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001733606463 1429820529 /nfs/dbraw/zinc/82/05/29/1429820529.db2.gz IZTWRLFBMLHAGD-OTWHNJEPSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001733681665 1429892441 /nfs/dbraw/zinc/89/24/41/1429892441.db2.gz HJMYXFBFHHMDGI-MBOZVWFJSA-N 2 0 345.531 3.340 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001733682760 1429896217 /nfs/dbraw/zinc/89/62/17/1429896217.db2.gz VRVQJIQNNOTMTA-VQIMIIECSA-N 2 0 349.494 3.186 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001733682840 1429896820 /nfs/dbraw/zinc/89/68/20/1429896820.db2.gz AHFFNHNMLUXNBE-KRWDZBQOSA-N 2 0 339.483 3.105 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001733762178 1429978306 /nfs/dbraw/zinc/97/83/06/1429978306.db2.gz HWBBPAARFVDRSE-DCWZWWHRSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccc(C[NH+](C)CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001733780473 1430043114 /nfs/dbraw/zinc/04/31/14/1430043114.db2.gz FNRWXJLIUIQDLK-KDURUIRLSA-N 2 0 345.531 3.148 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001733803529 1430071313 /nfs/dbraw/zinc/07/13/13/1430071313.db2.gz AFKIPGKHCDNFEC-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CCC(C)C)CC1 ZINC001733809770 1430085809 /nfs/dbraw/zinc/08/58/09/1430085809.db2.gz ULEOYPUCSBHWFN-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH2+]CCC(C)C)[C@@H](C)C2)o1 ZINC001733862157 1437691402 /nfs/dbraw/zinc/69/14/02/1437691402.db2.gz WAXQZNLUWDICKW-WMZOPIPTSA-N 2 0 349.519 3.218 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001733879107 1437706374 /nfs/dbraw/zinc/70/63/74/1437706374.db2.gz NSFISUCJRBBOOX-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001733932734 1437745533 /nfs/dbraw/zinc/74/55/33/1437745533.db2.gz KYOFFYMIUKOHOU-MGBKSAOESA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001733976631 1437776002 /nfs/dbraw/zinc/77/60/02/1437776002.db2.gz SLBYNZPRACXJMI-CABCVRRESA-N 2 0 349.544 3.407 10 0 EGAERP CCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001734010515 1437802316 /nfs/dbraw/zinc/80/23/16/1437802316.db2.gz FPMGCZSVXKFPBX-UHFFFAOYSA-N 2 0 337.552 3.409 10 0 EGAERP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001734019566 1437808652 /nfs/dbraw/zinc/80/86/52/1437808652.db2.gz JSTJXJDFUSKPGU-OAHLLOKOSA-N 2 0 348.466 3.079 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCCC(C)(C)C)C(=O)C1([NH+](C)C)CCC1 ZINC001734020331 1437809307 /nfs/dbraw/zinc/80/93/07/1437809307.db2.gz MEJYGIVTZWNHCL-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734058680 1437850628 /nfs/dbraw/zinc/85/06/28/1437850628.db2.gz LHRXDDZPSKOGHM-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734105513 1437891657 /nfs/dbraw/zinc/89/16/57/1437891657.db2.gz DCDWAQVOPGEDRW-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CCCC1CCCC1 ZINC001734105807 1437892305 /nfs/dbraw/zinc/89/23/05/1437892305.db2.gz IGWRAXNMEWJWLC-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH+]2CC([C@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122092 1437902086 /nfs/dbraw/zinc/90/20/86/1437902086.db2.gz ZAIOBZFTUKSIBO-IRXDYDNUSA-N 2 0 345.531 3.259 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CCCCCC2)CC1(C)C ZINC001734156691 1437922677 /nfs/dbraw/zinc/92/26/77/1437922677.db2.gz YHALKPMAANTPJA-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001734156828 1437923170 /nfs/dbraw/zinc/92/31/70/1437923170.db2.gz ZOFWMYKNVOHQES-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001734197095 1437938404 /nfs/dbraw/zinc/93/84/04/1437938404.db2.gz VYLBGURWNNSFAD-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001734456713 1438114089 /nfs/dbraw/zinc/11/40/89/1438114089.db2.gz IAWQVQWIQLMXKN-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001734477809 1438126140 /nfs/dbraw/zinc/12/61/40/1438126140.db2.gz REPLJTGXGFOSHK-SJORKVTESA-N 2 0 342.487 3.321 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001734482648 1438127591 /nfs/dbraw/zinc/12/75/91/1438127591.db2.gz JTZLRLQRYLVTMG-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001734486982 1438129298 /nfs/dbraw/zinc/12/92/98/1438129298.db2.gz KVZUVHFWCLONHB-UXHICEINSA-N 2 0 347.547 3.237 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC1(C)C ZINC001734502176 1438135517 /nfs/dbraw/zinc/13/55/17/1438135517.db2.gz YHYUNHZEJRBKFP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C ZINC001734574068 1438167604 /nfs/dbraw/zinc/16/76/04/1438167604.db2.gz LYWJKPPENFGFOH-PXNSSMCTSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001734587970 1438177783 /nfs/dbraw/zinc/17/77/83/1438177783.db2.gz RDBXJGRKXNLESX-ZWKOTPCHSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CC([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001734595367 1438180540 /nfs/dbraw/zinc/18/05/40/1438180540.db2.gz ZKXAALBAWPFMJJ-ZGUYJTEBSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001734606014 1438185932 /nfs/dbraw/zinc/18/59/32/1438185932.db2.gz YVPCJIURLVKQFA-CTWPCTMYSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1CC[NH+](CC)CC(C)(C)C1)c1ccccc1 ZINC001750946319 1440118970 /nfs/dbraw/zinc/11/89/70/1440118970.db2.gz ZYOKORRTLSDDFM-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP Cc1cc2c(c(-c3ccc(C[NH+]4CCCCC4)cn3)c1)O[C@H](C[NH3+])C2 ZINC000067688338 215184320 /nfs/dbraw/zinc/18/43/20/215184320.db2.gz GKOPASVSBHZGTJ-SFHVURJKSA-N 2 0 337.467 3.305 10 0 EGAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000262627526 296069429 /nfs/dbraw/zinc/06/94/29/296069429.db2.gz CLEQIFGTVGCFEA-WCIQWLHISA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)[C@H](C)C1 ZINC000093639143 218236386 /nfs/dbraw/zinc/23/63/86/218236386.db2.gz WAPWOVPYFHBACG-KDOFPFPSSA-N 2 0 330.451 3.378 10 0 EGAERP C[C@@H]([NH2+]CCCc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181491278 533390397 /nfs/dbraw/zinc/39/03/97/533390397.db2.gz RNXPZVAZMGXYJB-QGZVFWFLSA-N 2 0 327.472 3.305 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1)C(C)C ZINC000347983890 141228194 /nfs/dbraw/zinc/22/81/94/141228194.db2.gz LQMRRYHKBVNKJE-FQEVSTJZSA-N 2 0 343.515 3.083 10 0 EGAERP OCCCCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248410804 163001574 /nfs/dbraw/zinc/00/15/74/163001574.db2.gz YIPJPIDFGNKIBG-QHAWAJNXSA-N 2 0 330.516 3.429 10 0 EGAERP COc1cc(Br)ccc1CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248463673 163007869 /nfs/dbraw/zinc/00/78/69/163007869.db2.gz YZVXLTMBEINSAZ-GJZGRUSLSA-N 2 0 339.277 3.174 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000249269737 163061392 /nfs/dbraw/zinc/06/13/92/163061392.db2.gz IYDWUPXPYPIPQH-FMKPAKJESA-N 2 0 344.421 3.046 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1nc2c(cccc2C)o1 ZINC000337135368 163139913 /nfs/dbraw/zinc/13/99/13/163139913.db2.gz MIJOJTWBYBFGKK-UHFFFAOYSA-N 2 0 347.422 3.358 10 0 EGAERP C[C@@H](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000354370747 166011018 /nfs/dbraw/zinc/01/10/18/166011018.db2.gz BPLBSMJAZOSKJU-AZUAARDMSA-N 2 0 345.531 3.278 10 0 EGAERP CC[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](CC)CC ZINC000344225398 164130409 /nfs/dbraw/zinc/13/04/09/164130409.db2.gz BULIRVPTKGCHLA-IBGZPJMESA-N 2 0 331.504 3.019 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2-c2ccnn2C)C[C@@H]1C ZINC000351645101 165112325 /nfs/dbraw/zinc/11/23/25/165112325.db2.gz VBTFLADUAMDYMS-FUHWJXTLSA-N 2 0 326.488 3.392 10 0 EGAERP CN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352103368 165237132 /nfs/dbraw/zinc/23/71/32/165237132.db2.gz OAABXSNXFWCSJH-AYOQOUSVSA-N 2 0 337.458 3.174 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1ccc2ncccc2c1 ZINC000355277064 166152725 /nfs/dbraw/zinc/15/27/25/166152725.db2.gz CLOPVFCJLHYDCQ-UHFFFAOYSA-N 2 0 329.407 3.414 10 0 EGAERP COc1cc2c(NC[C@@]3([NH+](C)C)CCSC3)cc[nH+]c2cc1F ZINC000359548331 167188131 /nfs/dbraw/zinc/18/81/31/167188131.db2.gz ROTXWGPKNAMEDC-KRWDZBQOSA-N 2 0 335.448 3.232 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@@H]2CCC[C@@H]21 ZINC000367613726 168249529 /nfs/dbraw/zinc/24/95/29/168249529.db2.gz DIPGRVYBAUNRPF-ULQDDVLXSA-N 2 0 347.469 3.113 10 0 EGAERP c1ccc(NC[C@H]2CC[N@@H+](CCCc3ccc4c(c3)CCO4)C2)nc1 ZINC000193244006 266018818 /nfs/dbraw/zinc/01/88/18/266018818.db2.gz UQRAZJJBDGBHJP-GOSISDBHSA-N 2 0 337.467 3.383 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246032990 274294494 /nfs/dbraw/zinc/29/44/94/274294494.db2.gz WFLSFSKFAWSXLR-DQKSBWHRSA-N 2 0 333.564 3.446 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000365667956 275919166 /nfs/dbraw/zinc/91/91/66/275919166.db2.gz OXWFPFYOADISMX-QUCCMNQESA-N 2 0 333.564 3.469 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1O ZINC000289523250 276352559 /nfs/dbraw/zinc/35/25/59/276352559.db2.gz AURUSEXAOCNXQN-CYBMUJFWSA-N 2 0 332.419 3.452 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@@H]2CCC[C@H]21 ZINC000367616058 290219492 /nfs/dbraw/zinc/21/94/92/290219492.db2.gz NDVUILIIBSPADU-ZGXWSNOMSA-N 2 0 330.516 3.251 10 0 EGAERP OC1(C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414295043 309071106 /nfs/dbraw/zinc/07/11/06/309071106.db2.gz CYAIVDVTGCMQMY-UXHICEINSA-N 2 0 328.500 3.182 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000248385535 308001505 /nfs/dbraw/zinc/00/15/05/308001505.db2.gz IXMMSUIXZQPJOP-IRXDYDNUSA-N 2 0 336.495 3.171 10 0 EGAERP CCCCOC[C@@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000248638818 308008058 /nfs/dbraw/zinc/00/80/58/308008058.db2.gz BDYWUGZZJMLZQY-QUCCMNQESA-N 2 0 340.552 3.141 10 0 EGAERP Cc1nocc1C[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000293726571 308156354 /nfs/dbraw/zinc/15/63/54/308156354.db2.gz YYOQYFWEZPYAAS-UHFFFAOYSA-N 2 0 325.412 3.498 10 0 EGAERP COC[C@]1(C[NH2+][C@H]2CCC[C@H]2c2ccc(OC(C)C)cc2)CCC[NH2+]1 ZINC000414942702 309110467 /nfs/dbraw/zinc/11/04/67/309110467.db2.gz KNMMXUTUHPLBGV-PCCBWWKXSA-N 2 0 346.515 3.468 10 0 EGAERP CC[C@@H](C(=O)N1CCC([NH2+]C[C@@H]([NH3+])CC(C)C)CC1)c1ccccc1 ZINC000415106714 309120730 /nfs/dbraw/zinc/12/07/30/309120730.db2.gz NEQCPFBXNHQQKS-AZUAARDMSA-N 2 0 345.531 3.134 10 0 EGAERP CCCN(CC[NH+]1CCCC1)C(=O)Nc1ccccc1C[NH2+]CC ZINC000415938015 309150023 /nfs/dbraw/zinc/15/00/23/309150023.db2.gz ZZNGPFCLYNGXTD-UHFFFAOYSA-N 2 0 332.492 3.136 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@H](C)C1 ZINC000415946895 309150582 /nfs/dbraw/zinc/15/05/82/309150582.db2.gz VFONQADGHZSURA-KRWDZBQOSA-N 2 0 346.519 3.430 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369817 309284615 /nfs/dbraw/zinc/28/46/15/309284615.db2.gz JASUVVIQBIQINH-KLHJMIIUSA-N 2 0 340.467 3.062 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420405438 309286654 /nfs/dbraw/zinc/28/66/54/309286654.db2.gz MVXFZVUSFSFVHP-SFHLNBCPSA-N 2 0 340.467 3.105 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@@H](CC)C2)CC1 ZINC000421369933 309321122 /nfs/dbraw/zinc/32/11/22/309321122.db2.gz BLHYWIIVPWNJRA-PMACEKPBSA-N 2 0 345.531 3.266 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CC(C)=C[C@H](C)C3)CC2)CC1 ZINC000421374161 309321410 /nfs/dbraw/zinc/32/14/10/309321410.db2.gz NOXLVWRDTSXLCE-AZUAARDMSA-N 2 0 333.564 3.471 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC2(O)CCC2)CC1 ZINC000421390140 309322241 /nfs/dbraw/zinc/32/22/41/309322241.db2.gz RZNAPWUUSARXNL-SFHVURJKSA-N 2 0 330.516 3.367 10 0 EGAERP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)CC1 ZINC000422701614 309363742 /nfs/dbraw/zinc/36/37/42/309363742.db2.gz DLKAMCVRXHBVMP-XUVXKRRUSA-N 2 0 349.563 3.314 10 0 EGAERP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422703098 309363875 /nfs/dbraw/zinc/36/38/75/309363875.db2.gz HAMVHYOADVYECS-LRGNLBRXSA-N 2 0 343.515 3.174 10 0 EGAERP COc1ccccc1[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)N1CCCCC1 ZINC000422705633 309364045 /nfs/dbraw/zinc/36/40/45/309364045.db2.gz CMLMNSRGCSOVTD-AFMYVXGZSA-N 2 0 345.531 3.329 10 0 EGAERP COc1ccc([C@H](NC[C@@H](C)C[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422709352 309364198 /nfs/dbraw/zinc/36/41/98/309364198.db2.gz KLQVDWFVFLGPTD-QMMLZNLJSA-N 2 0 345.531 3.200 10 0 EGAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720650 309364867 /nfs/dbraw/zinc/36/48/67/309364867.db2.gz ZYOFNIMKKZHTEM-KGLIPLIRSA-N 2 0 343.437 3.385 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000422735903 309365878 /nfs/dbraw/zinc/36/58/78/309365878.db2.gz FNNAZHHMVBXOKT-ABSDTBQOSA-N 2 0 338.499 3.335 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000422735907 309365887 /nfs/dbraw/zinc/36/58/87/309365887.db2.gz FNNAZHHMVBXOKT-QKLQHJQFSA-N 2 0 338.499 3.335 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC000422739542 309366065 /nfs/dbraw/zinc/36/60/65/309366065.db2.gz LRVRIQRLDNNGJV-CJNGLKHVSA-N 2 0 343.309 3.114 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)c1cccc(C)c1 ZINC000422755370 309366816 /nfs/dbraw/zinc/36/68/16/309366816.db2.gz BIWNAPGCGQXHSU-MRXNPFEDSA-N 2 0 326.488 3.334 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422760607 309367069 /nfs/dbraw/zinc/36/70/69/309367069.db2.gz MCCCXIZMUKKFDH-LBPRGKRZSA-N 2 0 326.419 3.362 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422775791 309367648 /nfs/dbraw/zinc/36/76/48/309367648.db2.gz CICICNNJIBNHKD-YLJYHZDGSA-N 2 0 330.447 3.453 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000422786013 309368090 /nfs/dbraw/zinc/36/80/90/309368090.db2.gz NYXLFNYPTAXWRE-QHAWAJNXSA-N 3 0 327.516 3.293 10 0 EGAERP Cc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)c(OC[C@@H]2CCOC2)c1 ZINC000422861096 309372525 /nfs/dbraw/zinc/37/25/25/309372525.db2.gz IYGWESDCMYRGBY-TVRKMHQQSA-N 2 0 332.488 3.017 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422895307 309374911 /nfs/dbraw/zinc/37/49/11/309374911.db2.gz FKWOJKGANBSQPR-VAMGGRTRSA-N 2 0 342.531 3.472 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@@H]1Oc2ccccc2[C@H]1C ZINC000422923224 309376315 /nfs/dbraw/zinc/37/63/15/309376315.db2.gz VIYSGEAQWJRPPS-UHTBIJDUSA-N 2 0 325.456 3.453 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995714 309379992 /nfs/dbraw/zinc/37/99/92/309379992.db2.gz YWAUFWGZMQFTCO-DJIMGWMZSA-N 2 0 344.421 3.106 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cc(F)cc(C(F)(F)F)c2)CC1 ZINC000423060846 309383699 /nfs/dbraw/zinc/38/36/99/309383699.db2.gz PIQVIWSGODOXEU-HNNXBMFYSA-N 2 0 348.384 3.220 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082318 309385076 /nfs/dbraw/zinc/38/50/76/309385076.db2.gz DDXHKISXMIRORD-PGRDOPGGSA-N 2 0 337.511 3.451 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2cccc(C(F)(F)F)c2)C1 ZINC000423094289 309385527 /nfs/dbraw/zinc/38/55/27/309385527.db2.gz JTEQAJCVCJDAAQ-BPUTZDHNSA-N 2 0 330.394 3.295 10 0 EGAERP [NH3+]C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000423185340 309389570 /nfs/dbraw/zinc/38/95/70/309389570.db2.gz VGEJOEYIEMZNJX-ACDBMABISA-N 2 0 327.516 3.433 10 0 EGAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423199809 309390106 /nfs/dbraw/zinc/39/01/06/309390106.db2.gz KPXFLBQNYKSDBD-HNNXBMFYSA-N 2 0 333.476 3.054 10 0 EGAERP Cn1ccc([C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423259819 309392796 /nfs/dbraw/zinc/39/27/96/309392796.db2.gz PCHFYDBZRNPUDI-KBXCAEBGSA-N 2 0 332.879 3.142 10 0 EGAERP Cn1ccc([C@@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423541468 309405742 /nfs/dbraw/zinc/40/57/42/309405742.db2.gz RXUJBPGLNAYJOT-SFHVURJKSA-N 2 0 330.863 3.062 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CC[C@@H]3SC)CC2)cc1 ZINC000425352247 309475296 /nfs/dbraw/zinc/47/52/96/309475296.db2.gz MQJRPXFWSFBFGJ-MOPGFXCFSA-N 2 0 334.529 3.391 10 0 EGAERP CCCC[N@H+](C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449150176 310040571 /nfs/dbraw/zinc/04/05/71/310040571.db2.gz YXVBTPWEDRJYET-LJQANCHMSA-N 2 0 331.548 3.404 10 0 EGAERP CSC[C@@H](CCO)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449163357 310041354 /nfs/dbraw/zinc/04/13/54/310041354.db2.gz VVCQFAACDKFESG-MRXNPFEDSA-N 2 0 330.582 3.369 10 0 EGAERP CO[C@H]1COCC[C@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457562 310063588 /nfs/dbraw/zinc/06/35/88/310063588.db2.gz HQUARAJPOOARBZ-WMZOPIPTSA-N 2 0 340.552 3.307 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H](C)C2)CC1 ZINC000449508073 310067861 /nfs/dbraw/zinc/06/78/61/310067861.db2.gz GNTVLKRZNDZAJE-KANFNMMFSA-N 2 0 336.520 3.351 10 0 EGAERP C[C@@H]1C[N@H+](CC/C=C\c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450649112 310134867 /nfs/dbraw/zinc/13/48/67/310134867.db2.gz QAQSPBKGSZPQRQ-OXKNWPCVSA-N 2 0 327.516 3.048 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000453092376 310257336 /nfs/dbraw/zinc/25/73/36/310257336.db2.gz RALYHHYOGZQDIH-HBMCJLEFSA-N 3 0 329.532 3.361 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1ncc(-c2ccccc2)n1C ZINC000453137010 310260363 /nfs/dbraw/zinc/26/03/63/310260363.db2.gz UTMVCTYYGMLMHV-WMZOPIPTSA-N 2 0 344.503 3.095 10 0 EGAERP C[C@@H](C[NH2+][C@@H]1CCc2c1ccc(F)c2Br)C[NH+](C)C ZINC000453227055 310265328 /nfs/dbraw/zinc/26/53/28/310265328.db2.gz CGCSSCQTJQWDAI-IINYFYTJSA-N 2 0 329.257 3.363 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453410053 310275501 /nfs/dbraw/zinc/27/55/01/310275501.db2.gz USHXQERDLYHVER-NQIIRXRSSA-N 2 0 329.532 3.361 10 0 EGAERP CC1CC[NH+](Cc2cccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)c2)CC1 ZINC000495061436 311534893 /nfs/dbraw/zinc/53/48/93/311534893.db2.gz CDPUAVCCGJQGBR-LJQANCHMSA-N 2 0 343.515 3.065 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000495094476 311537329 /nfs/dbraw/zinc/53/73/29/311537329.db2.gz QEKLZNOOIRTCLP-MRXNPFEDSA-N 2 0 331.504 3.161 10 0 EGAERP CCSc1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)ccn1 ZINC000495162732 311540030 /nfs/dbraw/zinc/54/00/30/311540030.db2.gz CMULKBMEIXVUIM-UHFFFAOYSA-N 2 0 339.468 3.373 10 0 EGAERP CC[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1 ZINC000502045564 311958608 /nfs/dbraw/zinc/95/86/08/311958608.db2.gz FVGDGTLZKMNLKF-OALUTQOASA-N 2 0 330.520 3.282 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@H]1CCCCO1 ZINC000507484747 312074603 /nfs/dbraw/zinc/07/46/03/312074603.db2.gz KDQJNXSVSJUPRP-JOZSIVFUSA-N 2 0 328.500 3.444 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H]2CCC[C@H]21 ZINC000513717478 312216378 /nfs/dbraw/zinc/21/63/78/312216378.db2.gz PBUVTFDXUFPALD-PCCBWWKXSA-N 2 0 341.543 3.286 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)Cc1ccccc1 ZINC000513761397 312217372 /nfs/dbraw/zinc/21/73/72/312217372.db2.gz MWKMPDQNMPMAKJ-DXBBTUNJSA-N 2 0 343.559 3.402 10 0 EGAERP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@H]([NH3+])C3CCC3)ccc21 ZINC000516567423 312330169 /nfs/dbraw/zinc/33/01/69/312330169.db2.gz FCTXPJMGUCZORZ-LJQANCHMSA-N 2 0 342.487 3.049 10 0 EGAERP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CC(F)(F)C1 ZINC000529537557 313349166 /nfs/dbraw/zinc/34/91/66/313349166.db2.gz FTUVAYQPDUZVIS-CQSZACIVSA-N 2 0 326.431 3.193 10 0 EGAERP CC[NH+](CC)Cc1cccc(NC(=O)CCN(C)c2cc[nH+]cc2)c1 ZINC000540929346 314419142 /nfs/dbraw/zinc/41/91/42/314419142.db2.gz KYBBWRBGNVAGRP-UHFFFAOYSA-N 2 0 340.471 3.388 10 0 EGAERP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000549764401 315103579 /nfs/dbraw/zinc/10/35/79/315103579.db2.gz QVSJLQMKXVMBIS-WJXKREEZSA-N 2 0 336.520 3.493 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@H]2CCC[C@H]21 ZINC000552043271 315192274 /nfs/dbraw/zinc/19/22/74/315192274.db2.gz FPOGKGCBFKNTAN-IXDOHACOSA-N 2 0 337.305 3.454 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000552244802 315208747 /nfs/dbraw/zinc/20/87/47/315208747.db2.gz LQLLAKIYIRGXMH-ZHALLVOQSA-N 2 0 325.456 3.206 10 0 EGAERP Cc1ccc(OC[C@@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000570322144 317039271 /nfs/dbraw/zinc/03/92/71/317039271.db2.gz BKAWICXMIHWVBZ-FQEVSTJZSA-N 2 0 346.515 3.121 10 0 EGAERP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCCC1 ZINC000571266395 317174575 /nfs/dbraw/zinc/17/45/75/317174575.db2.gz PVCXKSKFVWNJJH-YBVXAUJNSA-N 2 0 333.564 3.446 10 0 EGAERP C[C@@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000571516328 317209946 /nfs/dbraw/zinc/20/99/46/317209946.db2.gz QYEZLRCUAIVKRS-LAUBAEHRSA-N 2 0 326.484 3.045 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572049774 317283651 /nfs/dbraw/zinc/28/36/51/317283651.db2.gz YIUIGZFFGGQIIR-QUCCMNQESA-N 2 0 341.543 3.419 10 0 EGAERP C[C@@H]1COCC[C@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572119950 317293687 /nfs/dbraw/zinc/29/36/87/317293687.db2.gz DFBXTCMCUWMUSH-HOJAQTOUSA-N 2 0 328.500 3.446 10 0 EGAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@H](O)Cc2cccc(Cl)c2)cc1 ZINC000574393901 317593468 /nfs/dbraw/zinc/59/34/68/317593468.db2.gz ZDQZCJSKPUAQOS-HXUWFJFHSA-N 2 0 346.902 3.137 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625481 324995328 /nfs/dbraw/zinc/99/53/28/324995328.db2.gz ZIALZMRKCWNGKB-CABCVRRESA-N 2 0 343.393 3.400 10 0 EGAERP COc1cccnc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579237285 325081901 /nfs/dbraw/zinc/08/19/01/325081901.db2.gz CCPBPIJXDAYVKD-GOSISDBHSA-N 2 0 337.467 3.377 10 0 EGAERP CC(C)(C[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1)C(N)=O ZINC000579434959 325108398 /nfs/dbraw/zinc/10/83/98/325108398.db2.gz HCLBJMZWEPNWNX-CQSZACIVSA-N 2 0 346.500 3.047 10 0 EGAERP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)[NH+](C)Cc1ccccc1 ZINC000580588975 325271395 /nfs/dbraw/zinc/27/13/95/325271395.db2.gz ZFUOEPFIVICZSD-PMXSJFBMSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@@H](Cc1ccsc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000581871897 325394990 /nfs/dbraw/zinc/39/49/90/325394990.db2.gz XDDOSBPLYNJOKO-KRWDZBQOSA-N 2 0 344.524 3.296 10 0 EGAERP C[NH+]1CCC(Oc2ccc(C[NH2+]C[C@@H](O)CC3CCCC3)cc2)CC1 ZINC000581880409 325396058 /nfs/dbraw/zinc/39/60/58/325396058.db2.gz JVCOAAWKRBAVCI-IBGZPJMESA-N 2 0 346.515 3.190 10 0 EGAERP COc1ccc(C[C@@H](C)C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623477038 460570059 /nfs/dbraw/zinc/57/00/59/460570059.db2.gz ZEHXTRZLRKLHIQ-WBVHZDCISA-N 2 0 334.504 3.345 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)CC1(C)C ZINC000623495434 460581092 /nfs/dbraw/zinc/58/10/92/460581092.db2.gz BMLLEVMUBYZLPJ-CQSZACIVSA-N 2 0 345.409 3.028 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507063 460587889 /nfs/dbraw/zinc/58/78/89/460587889.db2.gz WFPHUQSRVJDQQZ-MOPGFXCFSA-N 2 0 347.572 3.066 10 0 EGAERP C[NH+](C)Cc1cccc(NC(=O)N[C@@H](C[NH+](C)C)c2ccccc2)c1 ZINC000044277397 454094227 /nfs/dbraw/zinc/09/42/27/454094227.db2.gz WIRFVFHIKPYEEK-IBGZPJMESA-N 2 0 340.471 3.173 10 0 EGAERP CC(C)N(C)c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000191075214 455437276 /nfs/dbraw/zinc/43/72/76/455437276.db2.gz LBZVUOIBZCCHDE-UHFFFAOYSA-N 2 0 344.478 3.417 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000132981961 454382868 /nfs/dbraw/zinc/38/28/68/454382868.db2.gz BEYODAMWDUZQLX-GJZGRUSLSA-N 2 0 334.529 3.388 10 0 EGAERP Cc1oc2ccccc2c1C[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000121119709 454394350 /nfs/dbraw/zinc/39/43/50/454394350.db2.gz MSUNUXCFNSLBSJ-HNNXBMFYSA-N 2 0 330.472 3.266 10 0 EGAERP COCCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134196102 454515294 /nfs/dbraw/zinc/51/52/94/454515294.db2.gz PEYGJWDNURQMJY-UHFFFAOYSA-N 2 0 332.488 3.020 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC1CC[NH+](C)CC1)CC3 ZINC000123214003 454616630 /nfs/dbraw/zinc/61/66/30/454616630.db2.gz DJQMYJNWOIQBGA-MRXNPFEDSA-N 2 0 341.499 3.355 10 0 EGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635005965 460650058 /nfs/dbraw/zinc/65/00/58/460650058.db2.gz KKMDLXMWRARNSH-SAWYMBPVSA-N 2 0 349.478 3.431 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](COCC)C2)CC1 ZINC000093838984 454739756 /nfs/dbraw/zinc/73/97/56/454739756.db2.gz YTTYDODVYFXVRV-IBGZPJMESA-N 2 0 345.531 3.077 10 0 EGAERP CCOc1ccc(NC(=O)CC[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000137644499 454784170 /nfs/dbraw/zinc/78/41/70/454784170.db2.gz XZNLFZIISKWGNB-VQIMIIECSA-N 2 0 347.503 3.076 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154497720 454901864 /nfs/dbraw/zinc/90/18/64/454901864.db2.gz BMERGDCGAMMAPA-INIZCTEOSA-N 2 0 335.561 3.305 10 0 EGAERP C[NH+](C)C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086246 454933754 /nfs/dbraw/zinc/93/37/54/454933754.db2.gz CGXWEKWSZFSNIW-QUCCMNQESA-N 2 0 343.515 3.060 10 0 EGAERP CCOc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)ccc1OC ZINC000180125933 455136113 /nfs/dbraw/zinc/13/61/13/455136113.db2.gz OSDQTEWTORAXKS-QGZVFWFLSA-N 2 0 329.444 3.263 10 0 EGAERP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000180160454 455142402 /nfs/dbraw/zinc/14/24/02/455142402.db2.gz IQBNEOWUVRWBKG-BQAFMNHLSA-N 2 0 339.527 3.397 10 0 EGAERP Cc1ccccc1[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000180495716 455183501 /nfs/dbraw/zinc/18/35/01/455183501.db2.gz POJVQZOGIZDNIA-UGKGYDQZSA-N 2 0 337.511 3.310 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC[C@H]3CCCO3)cc2)[C@@H](C)C1 ZINC000245512913 455318386 /nfs/dbraw/zinc/31/83/86/455318386.db2.gz BHFUDHLMSOUFGO-WMQCIHAUSA-N 2 0 346.515 3.407 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245639571 455345673 /nfs/dbraw/zinc/34/56/73/455345673.db2.gz ALJBVAXOOVHTPK-PLACYPQZSA-N 2 0 327.516 3.256 10 0 EGAERP CC[C@@H](C)NC(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737205 455369204 /nfs/dbraw/zinc/36/92/04/455369204.db2.gz QZCCXLBFKXVQNT-RSPOEFSDSA-N 2 0 343.515 3.076 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCN(C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000247366122 455592372 /nfs/dbraw/zinc/59/23/72/455592372.db2.gz RDLDDNZXQBERDI-RBUKOAKNSA-N 2 0 348.531 3.213 10 0 EGAERP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266944 455613179 /nfs/dbraw/zinc/61/31/79/455613179.db2.gz ZDDFSUYSJPJRNM-FZKQIMNGSA-N 2 0 346.862 3.479 10 0 EGAERP Cc1ccc(C[C@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192744399 455684610 /nfs/dbraw/zinc/68/46/10/455684610.db2.gz RCRXUVXDDSYEKQ-FQEVSTJZSA-N 2 0 331.548 3.274 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCCc2cccc(F)c2)[C@@H](C)C1 ZINC000248145332 455688529 /nfs/dbraw/zinc/68/85/29/455688529.db2.gz QCDRPBSDODCUOV-PXNSSMCTSA-N 2 0 336.495 3.485 10 0 EGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271742176 455742507 /nfs/dbraw/zinc/74/25/07/455742507.db2.gz QJSZARJYFDFDDG-FQEVSTJZSA-N 2 0 333.495 3.140 10 0 EGAERP Fc1ccc([C@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000271768913 455753535 /nfs/dbraw/zinc/75/35/35/455753535.db2.gz UHXSWMYMIWWZMB-FOIQADDNSA-N 2 0 332.463 3.367 10 0 EGAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623724084 460690936 /nfs/dbraw/zinc/69/09/36/460690936.db2.gz SLSCIYRPICWQNE-YZLZLFLDSA-N 2 0 332.488 3.063 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+](C)C[C@H]3C)c2)C[C@H](C)O1 ZINC000252487407 455810760 /nfs/dbraw/zinc/81/07/60/455810760.db2.gz WOFXDOOSGVKORC-PDOICOKGSA-N 2 0 331.504 3.048 10 0 EGAERP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1cc(Cl)cc(Cl)c1 ZINC000194742774 455879665 /nfs/dbraw/zinc/87/96/65/455879665.db2.gz BDSJXIBMYSNICY-UHFFFAOYSA-N 2 0 344.330 3.105 10 0 EGAERP OC[C@@H](CC1CCC1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000281176000 456154698 /nfs/dbraw/zinc/15/46/98/456154698.db2.gz QHICJMDTZYIVAE-NCYKPQTJSA-N 2 0 328.500 3.323 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272728 456184801 /nfs/dbraw/zinc/18/48/01/456184801.db2.gz YPBPGOYVKXSZCH-AEFFLSMTSA-N 2 0 342.487 3.043 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000273166521 456197834 /nfs/dbraw/zinc/19/78/34/456197834.db2.gz CWUFFVCBMQUTLT-MRXNPFEDSA-N 2 0 331.504 3.065 10 0 EGAERP COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000289999585 456212273 /nfs/dbraw/zinc/21/22/73/456212273.db2.gz LAHBUMXAYAIIQK-OCCSQVGLSA-N 2 0 341.293 3.372 10 0 EGAERP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@H](OCC[NH+]2CCCCC2)C1 ZINC000301834114 456227443 /nfs/dbraw/zinc/22/74/43/456227443.db2.gz VHWRJDSKRYNBGK-KRWDZBQOSA-N 2 0 343.446 3.455 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000290230571 456271620 /nfs/dbraw/zinc/27/16/20/456271620.db2.gz FUPCBUVUBKBGSC-MJGOQNOKSA-N 2 0 334.504 3.236 10 0 EGAERP Cc1nc2scc(C3CC3)n2c1CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000297847064 456308599 /nfs/dbraw/zinc/30/85/99/456308599.db2.gz OHGZCDMMWDRVJW-IUODEOHRSA-N 2 0 332.517 3.496 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1SC ZINC000298283262 456413528 /nfs/dbraw/zinc/41/35/28/456413528.db2.gz GYFUZBBRPMFKIV-OTWHNJEPSA-N 2 0 334.529 3.281 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000290932286 456471698 /nfs/dbraw/zinc/47/16/98/456471698.db2.gz SDZZQBFRWGEKLY-SFHVURJKSA-N 2 0 331.548 3.142 10 0 EGAERP CC[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H](CCC[NH3+])COC ZINC000665283328 462383300 /nfs/dbraw/zinc/38/33/00/462383300.db2.gz LORQGFZZBHTTRK-JKSUJKDBSA-N 2 0 343.309 3.114 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496603 456531887 /nfs/dbraw/zinc/53/18/87/456531887.db2.gz RLPLHERXDRBMFD-DNVCBOLYSA-N 2 0 342.487 3.089 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCO1 ZINC000658320008 462476374 /nfs/dbraw/zinc/47/63/74/462476374.db2.gz LQMVTPQWMAGPKM-DFQSSKMNSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@H](CCCCO)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319938 462476718 /nfs/dbraw/zinc/47/67/18/462476718.db2.gz JWRGOJLESXXNPX-UYAOXDASSA-N 2 0 330.516 3.429 10 0 EGAERP CO[C@H](CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000348418697 456677964 /nfs/dbraw/zinc/67/79/64/456677964.db2.gz JHIUKUVDYSSTDN-USXIJHARSA-N 2 0 344.421 3.454 10 0 EGAERP O=C(NC[C@@H]1CCCC[N@@H+]1C1CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000277400260 456810974 /nfs/dbraw/zinc/81/09/74/456810974.db2.gz BIDWMFWAZQTRFV-FQEVSTJZSA-N 2 0 341.499 3.029 10 0 EGAERP CCC[C@H](NC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072471 456847159 /nfs/dbraw/zinc/84/71/59/456847159.db2.gz DSURQKCHDCKZRL-SLYNCCJLSA-N 2 0 343.515 3.060 10 0 EGAERP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(OCc4ccccn4)cc3)C2)C1 ZINC000292091611 456852461 /nfs/dbraw/zinc/85/24/61/456852461.db2.gz GUFVXFZVSJRKHH-NRFANRHFSA-N 2 0 337.467 3.188 10 0 EGAERP CCN(CCC[NH+](CC)CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000349409601 456964549 /nfs/dbraw/zinc/96/45/49/456964549.db2.gz RPCRPXHTFROGDR-UHFFFAOYSA-N 2 0 329.492 3.130 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000354078335 457047042 /nfs/dbraw/zinc/04/70/42/457047042.db2.gz QBMQWPYLMDMGEC-IBGZPJMESA-N 2 0 327.472 3.168 10 0 EGAERP C[C@@H]1CCC[C@H](C)[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397564715 457487991 /nfs/dbraw/zinc/48/79/91/457487991.db2.gz UZRZPPZXBVGJJW-RUYXUALKSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@H]1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@H](C)C1 ZINC000397625312 457490458 /nfs/dbraw/zinc/49/04/58/457490458.db2.gz XSNTZMOWQMFNIZ-QZTJIDSGSA-N 2 0 330.516 3.428 10 0 EGAERP OC1(C[NH2+][C@@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397639669 457490678 /nfs/dbraw/zinc/49/06/78/457490678.db2.gz RNGHCLGETVQLDB-LJQANCHMSA-N 2 0 340.467 3.274 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000425361455 457520663 /nfs/dbraw/zinc/52/06/63/457520663.db2.gz SGEHAEIGKNHVQP-STEAMIEHSA-N 2 0 334.529 3.279 10 0 EGAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)C ZINC000357845536 457709008 /nfs/dbraw/zinc/70/90/08/457709008.db2.gz DOACOQRDWSXDBQ-WFXMLNOXSA-N 2 0 345.531 3.367 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371019626 457761395 /nfs/dbraw/zinc/76/13/95/457761395.db2.gz SUZMGLNLFLXBCO-AQNXPRMDSA-N 2 0 343.515 3.060 10 0 EGAERP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000411488095 457900828 /nfs/dbraw/zinc/90/08/28/457900828.db2.gz KHMDUFFKBJVBJO-LJQANCHMSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCOc1ncccc1F ZINC000358343415 457947346 /nfs/dbraw/zinc/94/73/46/457947346.db2.gz HSFIEYLHZVQYGB-VQIMIIECSA-N 2 0 343.446 3.100 10 0 EGAERP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375890056 458110661 /nfs/dbraw/zinc/11/06/61/458110661.db2.gz RGVCIWZLCUNWEV-VAMGGRTRSA-N 2 0 343.515 3.179 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539477 458308058 /nfs/dbraw/zinc/30/80/58/458308058.db2.gz AMNIKKSRUVHDSA-MLZLACJZSA-N 2 0 327.516 3.254 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000447723325 458333816 /nfs/dbraw/zinc/33/38/16/458333816.db2.gz OIGSJHIBSCUMQQ-JTOWHCCKSA-N 2 0 345.487 3.272 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2(OC)CCC2)[C@@H](C)C1 ZINC000429541129 458342835 /nfs/dbraw/zinc/34/28/35/458342835.db2.gz VAWSENGFCCWLAG-KSZLIROESA-N 2 0 326.525 3.061 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000376834299 458401329 /nfs/dbraw/zinc/40/13/29/458401329.db2.gz XBYKODQORBQUOO-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423429711 458431555 /nfs/dbraw/zinc/43/15/55/458431555.db2.gz KIUVJBNLTYGWLQ-JSGCOSHPSA-N 2 0 325.294 3.414 10 0 EGAERP CC1(C)[C@@H](c2ccccc2)C[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423510536 458447980 /nfs/dbraw/zinc/44/79/80/458447980.db2.gz MNDDBVTWFRLMDV-VFUGHAIPSA-N 2 0 341.543 3.375 10 0 EGAERP CCC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(OC)cc1 ZINC000423523588 458451728 /nfs/dbraw/zinc/45/17/28/458451728.db2.gz WFPFBHKWUVWJPU-GZNCHQMQSA-N 2 0 345.531 3.342 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000460303614 458509390 /nfs/dbraw/zinc/50/93/90/458509390.db2.gz YMVAONBZDMJXHM-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC1=CCC[C@@H](C)[C@@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377703596 458511638 /nfs/dbraw/zinc/51/16/38/458511638.db2.gz VGRJQOVQKDDGJG-XAAMQAMVSA-N 2 0 331.548 3.222 10 0 EGAERP c1nc2c([nH]1)C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799638 458532599 /nfs/dbraw/zinc/53/25/99/458532599.db2.gz XFRXRLBESGPWPQ-MKXGPGLRSA-N 2 0 336.483 3.052 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC000468773279 458534424 /nfs/dbraw/zinc/53/44/24/458534424.db2.gz AUCWQIKZQNQEKO-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H]1CC2(C[N@@H+]1CCCc1nc(-c3cccs3)no1)CC[NH2+]CC2 ZINC000424288610 458605357 /nfs/dbraw/zinc/60/53/57/458605357.db2.gz KTXYRIMOORYSFC-CQSZACIVSA-N 2 0 346.500 3.195 10 0 EGAERP COCc1cccc(OCC2(C[NH2+][C@@H]3CCCC[C@H]3[NH3+])CCC2)c1 ZINC000424292882 458606241 /nfs/dbraw/zinc/60/62/41/458606241.db2.gz OOBPNSKXCPFRTM-RTBURBONSA-N 2 0 332.488 3.242 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000431896896 458642257 /nfs/dbraw/zinc/64/22/57/458642257.db2.gz VBOUZWLPPPAOHD-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530025698 458657978 /nfs/dbraw/zinc/65/79/78/458657978.db2.gz FUHKANPSWIWOKA-FQEVSTJZSA-N 2 0 343.515 3.275 10 0 EGAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000531693272 458960549 /nfs/dbraw/zinc/96/05/49/458960549.db2.gz BILDPMJEZCFCBK-HNNXBMFYSA-N 2 0 345.487 3.019 10 0 EGAERP C[C@@H](CCC(C)(C)C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556585397 458975642 /nfs/dbraw/zinc/97/56/42/458975642.db2.gz DPAJCRJMQLKIPA-INIZCTEOSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@@H]1CSc2ccccc2O1 ZINC000577611568 459060678 /nfs/dbraw/zinc/06/06/78/459060678.db2.gz MRQITVUXVRPTIE-USXIJHARSA-N 2 0 328.481 3.088 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000567684357 459145243 /nfs/dbraw/zinc/14/52/43/459145243.db2.gz HLVKHNMLTZLDFN-OALUTQOASA-N 2 0 348.531 3.117 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C(C)=CCC[C@@H]3C)cn2)CC1 ZINC000479571331 459149672 /nfs/dbraw/zinc/14/96/72/459149672.db2.gz YUIHZTSRQKLJQV-ICSRJNTNSA-N 2 0 342.531 3.306 10 0 EGAERP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480620647 459209129 /nfs/dbraw/zinc/20/91/29/459209129.db2.gz VRIJXXJQENJMHO-SVFBPWRDSA-N 2 0 329.532 3.219 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)CC2)CC1 ZINC000560546340 459371028 /nfs/dbraw/zinc/37/10/28/459371028.db2.gz ZOCHGHOYTWTOLQ-BFIYSBSQSA-N 2 0 333.564 3.492 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CC[C@@H](C[NH+](C)CC3CC3)C2)c1 ZINC000569719219 459498785 /nfs/dbraw/zinc/49/87/85/459498785.db2.gz PEJNLDIBIYJBRQ-UABKOXTMSA-N 2 0 329.488 3.157 10 0 EGAERP C[C@@H]1CC[N@H+](CCN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000562495778 459572664 /nfs/dbraw/zinc/57/26/64/459572664.db2.gz SYYQIVHUTSINLS-AYWYSENESA-N 2 0 327.516 3.113 10 0 EGAERP COC(=O)CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000596595662 459690198 /nfs/dbraw/zinc/69/01/98/459690198.db2.gz ULCCLOQWTWHPTJ-HXUWFJFHSA-N 2 0 344.499 3.172 10 0 EGAERP C[NH+](C)[C@@H]1CCN(C2C[NH+](C(c3ccccc3)c3ccccc3)C2)C1 ZINC000584633693 459778018 /nfs/dbraw/zinc/77/80/18/459778018.db2.gz HEEIFOSWINWVFD-HXUWFJFHSA-N 2 0 335.495 3.096 10 0 EGAERP Cc1cccc(-c2noc(C[N@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)n2)c1 ZINC000576457142 460143695 /nfs/dbraw/zinc/14/36/95/460143695.db2.gz AZBHTKPOZMLIFR-OAHLLOKOSA-N 2 0 326.444 3.009 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000610827956 460244230 /nfs/dbraw/zinc/24/42/30/460244230.db2.gz UZKGUPMASLFNDQ-HNNXBMFYSA-N 2 0 332.488 3.462 10 0 EGAERP CCOC(=O)c1cccc(C[NH2+]CCCC[N@@H+]2CCCC[C@@H]2C)n1 ZINC000600122553 460391261 /nfs/dbraw/zinc/39/12/61/460391261.db2.gz BUZNRLCTVWZANG-INIZCTEOSA-N 2 0 333.476 3.003 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000623063774 460401312 /nfs/dbraw/zinc/40/13/12/460401312.db2.gz LHGDANYVJLNLRS-CQSZACIVSA-N 2 0 326.444 3.090 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCCc3scnc32)(N2CCCCC2)CC1 ZINC000623899435 460767120 /nfs/dbraw/zinc/76/71/20/460767120.db2.gz IYJINCRSYYPQPM-MRXNPFEDSA-N 2 0 348.560 3.060 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000629528516 460795573 /nfs/dbraw/zinc/79/55/73/460795573.db2.gz BCQKZDKUNNUBPU-INIZCTEOSA-N 2 0 345.512 3.322 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccc(C)cc3)sc21 ZINC000629528517 460796585 /nfs/dbraw/zinc/79/65/85/460796585.db2.gz BCQKZDKUNNUBPU-MRXNPFEDSA-N 2 0 345.512 3.322 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000629529204 460798276 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EGAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662260137 461148055 /nfs/dbraw/zinc/14/80/55/461148055.db2.gz IJUNPEOEBBLZFP-OALUTQOASA-N 2 0 341.543 3.419 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2ccccc2Cl)C1 ZINC000652360354 461154889 /nfs/dbraw/zinc/15/48/89/461154889.db2.gz FYUFYSUOEDEEPH-HFTRVMKXSA-N 2 0 338.879 3.080 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCSc2ccc(F)cc2)C1 ZINC000662282578 461166226 /nfs/dbraw/zinc/16/62/26/461166226.db2.gz CPBYJPKELKHJKL-NXHRZFHOSA-N 2 0 338.492 3.279 10 0 EGAERP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298708 461177240 /nfs/dbraw/zinc/17/72/40/461177240.db2.gz XFXBWYZUXOFCFA-MJGOQNOKSA-N 2 0 343.515 3.342 10 0 EGAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662304544 461179404 /nfs/dbraw/zinc/17/94/04/461179404.db2.gz AMAOVBZJSGFWQH-QFIPXVFZSA-N 2 0 349.522 3.081 10 0 EGAERP CC(C)CC[NH+]1CCC(CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662492411 461267921 /nfs/dbraw/zinc/26/79/21/461267921.db2.gz JXDJPFXLUQKUAH-FQEVSTJZSA-N 2 0 343.515 3.095 10 0 EGAERP c1ccc(N2CC[C@H](C[N@@H+]3CC[C@H]4[C@@H](CCCN4C4CC4)C3)C2)cc1 ZINC000638178069 461287933 /nfs/dbraw/zinc/28/79/33/461287933.db2.gz DZBOPANVEHYOIX-DXIQSLLYSA-N 2 0 339.527 3.462 10 0 EGAERP Cc1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cc(C)c1O ZINC000668512401 461309472 /nfs/dbraw/zinc/30/94/72/461309472.db2.gz MHMOKKHINCVOKO-UHFFFAOYSA-N 2 0 339.483 3.406 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+]CC[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713300 461392708 /nfs/dbraw/zinc/39/27/08/461392708.db2.gz LWBMBVOCCNURJN-VQTJNVASSA-N 2 0 328.500 3.305 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000655816225 461471701 /nfs/dbraw/zinc/47/17/01/461471701.db2.gz ROSYJZCZVCYVLS-VAMGGRTRSA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000647190035 461553462 /nfs/dbraw/zinc/55/34/62/461553462.db2.gz FNXWDUHHQRIOOO-UHFFFAOYSA-N 2 0 341.503 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461672919 /nfs/dbraw/zinc/67/29/19/461672919.db2.gz JRMHXOOIBQTSGD-HXUWFJFHSA-N 2 0 328.504 3.320 10 0 EGAERP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOCC2CC2)cc1 ZINC000656407796 461738203 /nfs/dbraw/zinc/73/82/03/461738203.db2.gz HJPCMOLCVRYBJJ-KJJMTIBFSA-N 2 0 340.511 3.255 10 0 EGAERP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647543538 461755963 /nfs/dbraw/zinc/75/59/63/461755963.db2.gz OZAIZFGRDMLCQK-HOTGVXAUSA-N 2 0 342.512 3.417 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643548986 461761631 /nfs/dbraw/zinc/76/16/31/461761631.db2.gz YSINNNXLADUNLA-WIYYLYMNSA-N 2 0 341.543 3.346 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000666853917 461836199 /nfs/dbraw/zinc/83/61/99/461836199.db2.gz MSJFWPNVHQZENS-SJORKVTESA-N 2 0 339.487 3.420 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)C[C@H](C)O1 ZINC000647792288 461836990 /nfs/dbraw/zinc/83/69/90/461836990.db2.gz YNGNGXCOCAGXMO-BKRRIZPZSA-N 2 0 343.515 3.096 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@H]1CSc2ccccc2O1 ZINC000647800431 461841182 /nfs/dbraw/zinc/84/11/82/461841182.db2.gz BAFLQUFBFDALMM-BBRMVZONSA-N 2 0 343.496 3.443 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647901675 461876870 /nfs/dbraw/zinc/87/68/70/461876870.db2.gz STWRMUBAUZLMJC-MSOLQXFVSA-N 2 0 340.471 3.133 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713747 461906171 /nfs/dbraw/zinc/90/61/71/461906171.db2.gz ADQYJYXVXHFNLG-NSHDSACASA-N 2 0 329.257 3.238 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C2CC2)nc2sccn12 ZINC000650719512 461911056 /nfs/dbraw/zinc/91/10/56/461911056.db2.gz SCZYXSMPESGHTM-UHFFFAOYSA-N 2 0 326.469 3.282 10 0 EGAERP COc1ccc([C@H](NCCC[N@H+](C)CC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000650739915 461928445 /nfs/dbraw/zinc/92/84/45/461928445.db2.gz BNCYDXMQPPSXDN-UXHICEINSA-N 2 0 333.520 3.056 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000650745855 461930364 /nfs/dbraw/zinc/93/03/64/461930364.db2.gz PLIJGGZJVZIYOB-SLFFLAALSA-N 3 0 327.516 3.006 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@H]2CCCOc3c(Br)cccc32)CC1 ZINC000650745872 461930799 /nfs/dbraw/zinc/93/07/99/461930799.db2.gz PTNGNDKBJYQVPK-AWEZNQCLSA-N 2 0 339.277 3.381 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H](Cc2ccccc2Br)C2CC2)CC1 ZINC000650747644 461930910 /nfs/dbraw/zinc/93/09/10/461930910.db2.gz DXVFPEWMQUSILR-INIZCTEOSA-N 2 0 337.305 3.489 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650757195 461936215 /nfs/dbraw/zinc/93/62/15/461936215.db2.gz RDLPTWUASLDILV-GCJKJVERSA-N 3 0 337.511 3.406 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000650758710 461938510 /nfs/dbraw/zinc/93/85/10/461938510.db2.gz WEJAJMUIRKAPKY-KRWDZBQOSA-N 3 0 341.499 3.197 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657347293 462062110 /nfs/dbraw/zinc/06/21/10/462062110.db2.gz QBRAWTORBBKIRV-FQEVSTJZSA-N 2 0 332.488 3.066 10 0 EGAERP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@@H](O)C3)[nH]c2c1 ZINC000657431929 462119721 /nfs/dbraw/zinc/11/97/21/462119721.db2.gz LCYKYCUZMPOVIB-OAQYLSRUSA-N 2 0 349.478 3.333 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOC[C@H]2CCOC2)CC1 ZINC000648444708 462121002 /nfs/dbraw/zinc/12/10/02/462121002.db2.gz AWJHKGIUXAUUQT-KRWDZBQOSA-N 2 0 340.552 3.308 10 0 EGAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCc3ccccc3C2)CC1 ZINC000648476348 462137849 /nfs/dbraw/zinc/13/78/49/462137849.db2.gz YBIWWXNDYFELCQ-YPAWHYETSA-N 2 0 342.527 3.292 10 0 EGAERP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000648479106 462138633 /nfs/dbraw/zinc/13/86/33/462138633.db2.gz VWWATGMNTQVZLO-QWFCFKBJSA-N 2 0 330.516 3.487 10 0 EGAERP Cc1ccncc1CC[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657588781 462193676 /nfs/dbraw/zinc/19/36/76/462193676.db2.gz XIFWZLSHLUWUAJ-UHFFFAOYSA-N 2 0 339.483 3.197 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccnc4ccccc34)cc2)C1 ZINC000657593585 462195104 /nfs/dbraw/zinc/19/51/04/462195104.db2.gz ASSLNJNLIOMUNJ-FQEVSTJZSA-N 2 0 347.462 3.091 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)C1 ZINC000657595013 462196291 /nfs/dbraw/zinc/19/62/91/462196291.db2.gz MFSPWOHPUSKPFH-OAHLLOKOSA-N 2 0 336.888 3.258 10 0 EGAERP CSc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657598077 462199738 /nfs/dbraw/zinc/19/97/38/462199738.db2.gz XXTKCVNYBZFPQK-MRXNPFEDSA-N 2 0 348.537 3.326 10 0 EGAERP c1cc(C[N@@H+](C[C@H]2CCCO2)C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667670304 462203279 /nfs/dbraw/zinc/20/32/79/462203279.db2.gz JTGNZCWWMQCZCD-LJQANCHMSA-N 2 0 326.444 3.191 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667789113 462262791 /nfs/dbraw/zinc/26/27/91/462262791.db2.gz FGHKUJUPNWQMTM-QUCCMNQESA-N 2 0 332.488 3.064 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667821206 462279097 /nfs/dbraw/zinc/27/90/97/462279097.db2.gz XSBHSLCOWOQKSZ-TZIWHRDSSA-N 2 0 344.499 3.064 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667896114 462312451 /nfs/dbraw/zinc/31/24/51/462312451.db2.gz JWTJABFFRNEUOQ-HZDRLRHHSA-N 2 0 328.500 3.300 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972933 462355444 /nfs/dbraw/zinc/35/54/44/462355444.db2.gz CFEGRIWUZOLTIL-UQVNRYHBSA-N 2 0 326.484 3.054 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057171 462360920 /nfs/dbraw/zinc/36/09/20/462360920.db2.gz NODVTNJUFBGGDQ-WMZOPIPTSA-N 2 0 333.520 3.150 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000658063180 462363167 /nfs/dbraw/zinc/36/31/67/462363167.db2.gz JMJUJJBFMZHMAK-SJORKVTESA-N 2 0 327.472 3.476 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244213 462366126 /nfs/dbraw/zinc/36/61/26/462366126.db2.gz ISKPLRZMEYCMFE-GFCCVEGCSA-N 2 0 329.419 3.380 10 0 EGAERP COc1ccsc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069261 462366385 /nfs/dbraw/zinc/36/63/85/462366385.db2.gz FAGIIFAWYFLWGR-CQSZACIVSA-N 2 0 338.517 3.298 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc2cnccc2o1 ZINC000658071074 462367188 /nfs/dbraw/zinc/36/71/88/462367188.db2.gz SSRVIIYGXYUFAO-HNNXBMFYSA-N 2 0 343.471 3.369 10 0 EGAERP CCc1ccc([C@H](CC)[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000665285617 462384626 /nfs/dbraw/zinc/38/46/26/462384626.db2.gz RTVAQLRMTDMPOE-FQEVSTJZSA-N 2 0 345.531 3.280 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140269 462403739 /nfs/dbraw/zinc/40/37/39/462403739.db2.gz PGWDVDDTDNJCCZ-RBBKRZOGSA-N 2 0 336.479 3.339 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143232 462406610 /nfs/dbraw/zinc/40/66/10/462406610.db2.gz GKJGOBBEVMLRBM-MGPUTAFESA-N 2 0 328.431 3.243 10 0 EGAERP COc1cccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658143272 462407299 /nfs/dbraw/zinc/40/72/99/462407299.db2.gz HBCYRSZCTNNDPM-OXJNMPFZSA-N 2 0 340.467 3.113 10 0 EGAERP CCCOc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000179517129 528751706 /nfs/dbraw/zinc/75/17/06/528751706.db2.gz YPULBURTVLWTOT-KRWDZBQOSA-N 2 0 334.504 3.000 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)CC(C)C ZINC000354617081 535652923 /nfs/dbraw/zinc/65/29/23/535652923.db2.gz WRASSHNOCUMXCM-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000093645046 546686180 /nfs/dbraw/zinc/68/61/80/546686180.db2.gz YVWGNEWGSUPQPX-ICSRJNTNSA-N 2 0 345.531 3.076 10 0 EGAERP C[C@@H](NCc1nc(-c2ccoc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681378 547122305 /nfs/dbraw/zinc/12/23/05/547122305.db2.gz XEAFFUPYUJDSBY-KGLIPLIRSA-N 2 0 330.432 3.072 10 0 EGAERP C[N@H+](CCN1CCC[C@H]1C[NH+]1CCCCC1)Cc1ccc(F)cc1 ZINC000248565765 547300911 /nfs/dbraw/zinc/30/09/11/547300911.db2.gz KTKJHWVKMKZGGY-FQEVSTJZSA-N 2 0 333.495 3.208 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C1 ZINC000383697006 547821349 /nfs/dbraw/zinc/82/13/49/547821349.db2.gz ROXMITOBUIGQHZ-VIYGXFRKSA-N 2 0 328.500 3.444 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2scnc2C2CC2)(N2CCCCC2)CC1 ZINC000487299098 547972562 /nfs/dbraw/zinc/97/25/62/547972562.db2.gz TWDNVPKOJFHVIT-UHFFFAOYSA-N 2 0 348.560 3.060 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@H]2CCOC2)CC1 ZINC000678152146 549412111 /nfs/dbraw/zinc/41/21/11/549412111.db2.gz XNHQLIWGTKMHDN-LJQANCHMSA-N 2 0 345.531 3.077 10 0 EGAERP CCC[N@@H+](Cc1ccc(OCC[NH+](C)C)cc1)C[C@@H]1CCCCO1 ZINC000678240995 549438372 /nfs/dbraw/zinc/43/83/72/549438372.db2.gz BQHFOJMGUGWXAC-FQEVSTJZSA-N 2 0 334.504 3.408 10 0 EGAERP C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CC[NH+](C)CC1 ZINC000679070186 549629655 /nfs/dbraw/zinc/62/96/55/549629655.db2.gz NRZCGJBQKBCQSB-KURKYZTESA-N 2 0 345.531 3.438 10 0 EGAERP c1cc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2cn1 ZINC000683828939 550266191 /nfs/dbraw/zinc/26/61/91/550266191.db2.gz ZPLSSJHKVDCGBT-UHFFFAOYSA-N 2 0 339.483 3.169 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](C[NH2+][C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409237 550326158 /nfs/dbraw/zinc/32/61/58/550326158.db2.gz LRXYGJMZJLOPQL-LEWJYISDSA-N 2 0 335.495 3.377 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C[C@@H]2CCOC2)C1 ZINC000685463952 550420542 /nfs/dbraw/zinc/42/05/42/550420542.db2.gz HQEXKSMEJXETRS-MSOLQXFVSA-N 2 0 340.471 3.214 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(O)c(Cl)c2)cc1 ZINC000733324492 575327784 /nfs/dbraw/zinc/32/77/84/575327784.db2.gz FNPBQRXBCPJXAG-UHFFFAOYSA-N 2 0 334.847 3.276 10 0 EGAERP Cc1sc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1Br ZINC000386209187 1297588270 /nfs/dbraw/zinc/58/82/70/1297588270.db2.gz MMJVQYIONQDUPQ-TXEJJXNPSA-N 2 0 329.307 3.250 10 0 EGAERP Cc1nc(C(C)C)ccc1CON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871784966 1296531768 /nfs/dbraw/zinc/53/17/68/1296531768.db2.gz MQYVRJZPKGOOKX-ALOPSCKCSA-N 2 0 330.476 3.385 10 0 EGAERP [NH3+]C[C@@H]1CCCc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)cc21 ZINC000871800586 1296543172 /nfs/dbraw/zinc/54/31/72/1296543172.db2.gz OYEBMTRBOZQBGR-XYTVBORESA-N 2 0 338.455 3.113 10 0 EGAERP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000872027949 1296673940 /nfs/dbraw/zinc/67/39/40/1296673940.db2.gz NEPVRPBLHAVIHM-HNNXBMFYSA-N 2 0 344.425 3.044 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000872060106 1296706884 /nfs/dbraw/zinc/70/68/84/1296706884.db2.gz MCXPOSWTGIZILK-SJORKVTESA-N 2 0 344.421 3.464 10 0 EGAERP COc1cc2c(cc1OC)[C@@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCC2 ZINC000872084182 1296723436 /nfs/dbraw/zinc/72/34/36/1296723436.db2.gz QIYJEWZJQSTTLS-LESCRADOSA-N 2 0 332.488 3.401 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+])c1ccc(Cl)cc1 ZINC000872155226 1296773270 /nfs/dbraw/zinc/77/32/70/1296773270.db2.gz OPTRSPPUOIZFGU-CABCVRRESA-N 2 0 339.911 3.357 10 0 EGAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)C1)C1CCCC1 ZINC000872158075 1296780700 /nfs/dbraw/zinc/78/07/00/1296780700.db2.gz SJMYABJESUGZAW-QFBILLFUSA-N 2 0 344.503 3.030 10 0 EGAERP C[C@@H]1C[C@@H](N(C[C@@H]2CCC[NH2+]C2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000302606015 1296803773 /nfs/dbraw/zinc/80/37/73/1296803773.db2.gz JWIXXOAWGLOJFT-YFVAEKQCSA-N 2 0 327.516 3.113 10 0 EGAERP [NH3+][C@@H](C[C@@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1)C1CCCC1 ZINC000872312797 1296909489 /nfs/dbraw/zinc/90/94/89/1296909489.db2.gz YCFZSUKWYRCPDV-NQYYFHDYSA-N 2 0 335.536 3.040 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000382538572 1297561178 /nfs/dbraw/zinc/56/11/78/1297561178.db2.gz XTCWQYDNTNXJIP-UHFFFAOYSA-N 2 0 325.294 3.454 10 0 EGAERP CC[C@@]1(C[NH2+][C@H]2CCC[N@H+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000383983106 1297576151 /nfs/dbraw/zinc/57/61/51/1297576151.db2.gz KKQVLGICFSJKKZ-LPHOPBHVSA-N 2 0 339.524 3.240 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466297 1297583734 /nfs/dbraw/zinc/58/37/34/1297583734.db2.gz JPMMAFFOZHQYMB-GOSISDBHSA-N 2 0 347.503 3.285 10 0 EGAERP CN(C[C@H]([NH3+])Cc1ccccc1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388348717 1297601853 /nfs/dbraw/zinc/60/18/53/1297601853.db2.gz PFPLSGYEAKOILR-YADHBBJMSA-N 2 0 337.511 3.153 10 0 EGAERP Fc1ccc(C[NH+]2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)cc1F ZINC000581803981 1298012957 /nfs/dbraw/zinc/01/29/57/1298012957.db2.gz YDUOCMOULBAWHN-SFHVURJKSA-N 2 0 336.426 3.042 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CCC(C)(C)NC(=O)OC(C)(C)C)CC1 ZINC000715541181 1298280086 /nfs/dbraw/zinc/28/00/86/1298280086.db2.gz HMRSRKVLUGVQBC-UHFFFAOYSA-N 2 0 327.513 3.142 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000715571655 1298281770 /nfs/dbraw/zinc/28/17/70/1298281770.db2.gz OYGLFOMFNILWHY-KZYLPZIUSA-N 2 0 339.524 3.237 10 0 EGAERP C[N@@H+](Cc1ccc(C[NH3+])cc1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719962302 1298325760 /nfs/dbraw/zinc/32/57/60/1298325760.db2.gz LHSHVBHVDZXZMR-UHFFFAOYSA-N 3 0 337.511 3.489 10 0 EGAERP c1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)sn1 ZINC000883247233 1302330809 /nfs/dbraw/zinc/33/08/09/1302330809.db2.gz CRHDBLCDCNEFOF-NNZMDNLPSA-N 2 0 327.497 3.471 10 0 EGAERP CCOC(CC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OCC ZINC000886597010 1303517614 /nfs/dbraw/zinc/51/76/14/1303517614.db2.gz UBSKHQFSATZCON-UFYCRDLUSA-N 2 0 346.515 3.418 10 0 EGAERP CC(C)(C)OC(=O)Nc1ccnc(CNC2CC[NH+](C3CC3)CC2)c1 ZINC000886682427 1303558949 /nfs/dbraw/zinc/55/89/49/1303558949.db2.gz HKDFGRTYBPQWQD-UHFFFAOYSA-N 2 0 346.475 3.145 10 0 EGAERP C[NH+](C)CCOC1CC[NH+](Cc2cc3c(cccc3O)s2)CC1 ZINC000894017683 1306175755 /nfs/dbraw/zinc/17/57/55/1306175755.db2.gz RSPDLMNILJFGAI-UHFFFAOYSA-N 2 0 334.485 3.150 10 0 EGAERP Cc1noc2ncc(C[N@H+](CC(C)C)CC3CC[NH+](C)CC3)cc12 ZINC000895467032 1309353398 /nfs/dbraw/zinc/35/33/98/1309353398.db2.gz KCWYXLXKNYYXFA-UHFFFAOYSA-N 2 0 330.476 3.331 10 0 EGAERP C[C@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895557443 1309400416 /nfs/dbraw/zinc/40/04/16/1309400416.db2.gz QOPVKBCHOQZINB-INIZCTEOSA-N 2 0 333.439 3.182 10 0 EGAERP c1cc(C[N@@H+]2CCCC[C@H](C3CCOCC3)C2)n(-c2ccncc2)n1 ZINC000895716066 1309484873 /nfs/dbraw/zinc/48/48/73/1309484873.db2.gz DKGJIJGQEFCRBT-SFHVURJKSA-N 2 0 340.471 3.296 10 0 EGAERP CC(C)C[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000896296019 1309792036 /nfs/dbraw/zinc/79/20/36/1309792036.db2.gz VVIPENWGKNXCMY-NLWGTHIKSA-N 2 0 345.531 3.210 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCOC12CCCC2 ZINC000898111439 1310597170 /nfs/dbraw/zinc/59/71/70/1310597170.db2.gz DPSQTIQXNFIBNJ-HXUWFJFHSA-N 2 0 344.499 3.353 10 0 EGAERP CC(C)[N@H+](C)CC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000899671874 1317128941 /nfs/dbraw/zinc/12/89/41/1317128941.db2.gz GUGXPGYLWVXKFU-UHFFFAOYSA-N 2 0 331.382 3.046 10 0 EGAERP CN(C)c1ccc(N2CCC([NH2+][C@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858146662 1328695884 /nfs/dbraw/zinc/69/58/84/1328695884.db2.gz KNQUENITXVUWJS-SFHVURJKSA-N 2 0 344.547 3.184 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)C12CCC2 ZINC000858227928 1328715899 /nfs/dbraw/zinc/71/58/99/1328715899.db2.gz SFJMSDRLCZYHJF-ULQDDVLXSA-N 2 0 349.519 3.135 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842898 1328718073 /nfs/dbraw/zinc/71/80/73/1328718073.db2.gz FNCVPSDWXNRNEP-IRXDYDNUSA-N 2 0 336.520 3.305 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC000930146390 1328798338 /nfs/dbraw/zinc/79/83/38/1328798338.db2.gz RSSRPEVOIONOKE-BCDXTJNWSA-N 2 0 344.490 3.348 10 0 EGAERP Cc1nc(C)c(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)[nH]1 ZINC000930169520 1328803123 /nfs/dbraw/zinc/80/31/23/1328803123.db2.gz AOZONZNCRIWDAO-UHFFFAOYSA-N 2 0 327.476 3.160 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@@H]2CCC3(COC3)O2)CC1)CC(C)C ZINC000930178839 1328805414 /nfs/dbraw/zinc/80/54/14/1328805414.db2.gz CKJUAEILYIACTL-IBGZPJMESA-N 2 0 338.536 3.014 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H](O)c2cccc(Cl)c2)cc1 ZINC000918201743 1319933227 /nfs/dbraw/zinc/93/32/27/1319933227.db2.gz FWIYLKTWNVDSHH-LJQANCHMSA-N 2 0 348.874 3.104 10 0 EGAERP COc1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)c1 ZINC000921790911 1322398993 /nfs/dbraw/zinc/39/89/93/1322398993.db2.gz GYXXHTWCBFGCLP-UHFFFAOYSA-N 2 0 345.531 3.044 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+]Cc3c4c(nn3C)CCC4)CC2)CC1 ZINC000921928506 1322424466 /nfs/dbraw/zinc/42/44/66/1322424466.db2.gz DABVZAHOMPSDGN-UHFFFAOYSA-N 2 0 330.520 3.042 10 0 EGAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000922501765 1322543923 /nfs/dbraw/zinc/54/39/23/1322543923.db2.gz AZCVHENLKQXKDH-UHFFFAOYSA-N 2 0 329.444 3.420 10 0 EGAERP c1csc(C[NH+](Cc2cccs2)C[C@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923301994 1322728607 /nfs/dbraw/zinc/72/86/07/1322728607.db2.gz MXMSNWXFKLTLEP-CQSZACIVSA-N 2 0 334.510 3.190 10 0 EGAERP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305228 1322729968 /nfs/dbraw/zinc/72/99/68/1322729968.db2.gz VTGPJCFISTZKPU-SWLSCSKDSA-N 2 0 328.378 3.077 10 0 EGAERP c1cn(CCCC2CC[NH+](CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CC2)cn1 ZINC000923373467 1322742346 /nfs/dbraw/zinc/74/23/46/1322742346.db2.gz PWFKCJSDGMLSKQ-IHWFROFDSA-N 2 0 330.520 3.296 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCSc1ccc(Cl)cc1)CC2 ZINC000923449364 1322753219 /nfs/dbraw/zinc/75/32/19/1322753219.db2.gz NCLCILXILLEWKP-HNNXBMFYSA-N 2 0 340.920 3.262 10 0 EGAERP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498111 1322762491 /nfs/dbraw/zinc/76/24/91/1322762491.db2.gz JIHDZEZETQMZHB-DYEKYZERSA-N 2 0 334.851 3.368 10 0 EGAERP C[C@@H]1C[N@@H+]([C@H](C(=O)Nc2ccccc2)c2ccccc2)CC[C@H]1C[NH3+] ZINC000923502046 1322763592 /nfs/dbraw/zinc/76/35/92/1322763592.db2.gz WQFXIWCEACXSEW-KPFFTGBYSA-N 2 0 337.467 3.283 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+]C2CC3(C2)CO[C@H](C)C3)cc1 ZINC000924691142 1323115262 /nfs/dbraw/zinc/11/52/62/1323115262.db2.gz CFOWZTGFKVAFER-FQVISZRSSA-N 2 0 346.515 3.454 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000924697548 1323117075 /nfs/dbraw/zinc/11/70/75/1323117075.db2.gz UKSYSCHKBSGPBX-BHDDXSALSA-N 2 0 335.495 3.452 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000924697546 1323117799 /nfs/dbraw/zinc/11/77/99/1323117799.db2.gz UKSYSCHKBSGPBX-BDTNDASRSA-N 2 0 335.495 3.452 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cnn(C2CCC2)c1 ZINC000924703010 1323121484 /nfs/dbraw/zinc/12/14/84/1323121484.db2.gz CMYOPTPJAKSDFJ-INIZCTEOSA-N 2 0 342.487 3.399 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCCc2ncc(Br)cc21 ZINC000924856692 1323188930 /nfs/dbraw/zinc/18/89/30/1323188930.db2.gz XMKZWRIUUWKKOI-CQSZACIVSA-N 2 0 326.282 3.153 10 0 EGAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938628 1323220891 /nfs/dbraw/zinc/22/08/91/1323220891.db2.gz NBGZANQWKUVQFR-PCCBWWKXSA-N 2 0 330.516 3.202 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938627 1323221766 /nfs/dbraw/zinc/22/17/66/1323221766.db2.gz NBGZANQWKUVQFR-HKBOAZHASA-N 2 0 330.516 3.202 10 0 EGAERP C[C@H]1O[C@@H](C)[C@@H]([NH2+]CCCCCC[NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)[C@H]1C ZINC000859828527 1329089363 /nfs/dbraw/zinc/08/93/63/1329089363.db2.gz ANSHAQDXNZGSTR-IEUHACDVSA-N 2 0 340.552 3.350 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3C[C@@H](c4ccccc4)[C@@H]3C2)CC1 ZINC000859929342 1329112150 /nfs/dbraw/zinc/11/21/50/1329112150.db2.gz XRRDZJXFCZJMJW-FDFHNCONSA-N 2 0 341.543 3.138 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000925152210 1325067328 /nfs/dbraw/zinc/06/73/28/1325067328.db2.gz QZCMCOLKSGLMPP-AZUAARDMSA-N 2 0 332.536 3.151 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C1 ZINC000925484379 1325171433 /nfs/dbraw/zinc/17/14/33/1325171433.db2.gz DNNJVWJYUFUPRO-LALPHHSUSA-N 2 0 330.394 3.234 10 0 EGAERP COc1ccc([C@H](CN[C@H]2CC[NH2+]C23CCC3)[NH+]2CCCCC2)cc1 ZINC000925505372 1325182258 /nfs/dbraw/zinc/18/22/58/1325182258.db2.gz NLPOJCLHEFVBLX-PMACEKPBSA-N 2 0 343.515 3.096 10 0 EGAERP COc1cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OC(F)F ZINC000925510896 1325184332 /nfs/dbraw/zinc/18/43/32/1325184332.db2.gz BHOGMOXXLLWUFQ-OLZOCXBDSA-N 2 0 328.403 3.292 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523636 1325189795 /nfs/dbraw/zinc/18/97/95/1325189795.db2.gz URPUDANDVAHSNJ-HUUCEWRRSA-N 2 0 335.289 3.340 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1c(F)cccc1Cl ZINC000925582436 1325220295 /nfs/dbraw/zinc/22/02/95/1325220295.db2.gz YTJAUWBRWHXANG-XOKHGSTOSA-N 2 0 340.870 3.270 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)C[C@@H]([NH3+])C1 ZINC000925601698 1325228426 /nfs/dbraw/zinc/22/84/26/1325228426.db2.gz NCVRZTBQNAFZSF-CABCVRRESA-N 2 0 348.878 3.428 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](OC1CCOCC1)c1ccccc1 ZINC000925616261 1325231704 /nfs/dbraw/zinc/23/17/04/1325231704.db2.gz LIGLVTYVBQSOPI-OBZTUIKSSA-N 2 0 344.499 3.171 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccco1 ZINC000925617015 1325232739 /nfs/dbraw/zinc/23/27/39/1325232739.db2.gz PDPVZDLDHGODGC-IPMKNSEASA-N 2 0 333.520 3.420 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000925631912 1325238988 /nfs/dbraw/zinc/23/89/88/1325238988.db2.gz YUXZNTMGPODTRV-JCGIZDLHSA-N 2 0 340.870 3.270 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925678196 1325259531 /nfs/dbraw/zinc/25/95/31/1325259531.db2.gz SNOUJDDRLXXTMG-SNPRPXQTSA-N 2 0 327.394 3.009 10 0 EGAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925708758 1325267060 /nfs/dbraw/zinc/26/70/60/1325267060.db2.gz DEGTVANZMVNFNB-HNJRGHQBSA-N 2 0 345.531 3.026 10 0 EGAERP C[NH+](C)C[C@@H](N[C@H]1CC[NH2+]C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925725347 1325270629 /nfs/dbraw/zinc/27/06/29/1325270629.db2.gz SIMGXKZKQYGPFZ-CVEARBPZSA-N 2 0 341.421 3.182 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCOC1 ZINC000925766502 1325290878 /nfs/dbraw/zinc/29/08/78/1325290878.db2.gz BBIHUXGAQMCHAZ-MJKGWSOKSA-N 2 0 330.472 3.037 10 0 EGAERP Nc1cc[nH+]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)c1 ZINC000925768733 1325292037 /nfs/dbraw/zinc/29/20/37/1325292037.db2.gz WMMHLJNBTLLKMN-NJDAHSKKSA-N 2 0 336.483 3.197 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H](c1cccnc1)c1ccc(F)cc1F ZINC000925795639 1325303709 /nfs/dbraw/zinc/30/37/09/1325303709.db2.gz HMGKXTBKOOEXAQ-PJIJBLCYSA-N 2 0 331.410 3.284 10 0 EGAERP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806858 1325309245 /nfs/dbraw/zinc/30/92/45/1325309245.db2.gz BSAWTYNOHFWVBJ-HTAPYJJXSA-N 2 0 335.495 3.115 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c2ccccc12 ZINC000925807395 1325309522 /nfs/dbraw/zinc/30/95/22/1325309522.db2.gz AIMIGHUVJHXRDM-IPMKNSEASA-N 2 0 325.456 3.341 10 0 EGAERP O=C(c1ccoc1)N1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925817818 1325315208 /nfs/dbraw/zinc/31/52/08/1325315208.db2.gz REGKIHIMEOJWLF-UHFFFAOYSA-N 2 0 347.503 3.034 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822230 1325316880 /nfs/dbraw/zinc/31/68/80/1325316880.db2.gz KKPNOYRMPLTKEW-RCKXYERXSA-N 3 0 329.532 3.332 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000925845214 1325327237 /nfs/dbraw/zinc/32/72/37/1325327237.db2.gz NKHMGPJSPDKFDE-OAHLLOKOSA-N 2 0 343.437 3.432 10 0 EGAERP CCc1ccc([C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C(C)C)cc1 ZINC000925857730 1325332424 /nfs/dbraw/zinc/33/24/24/1325332424.db2.gz QLRAPBFMCUNOEH-MOPGFXCFSA-N 2 0 344.499 3.221 10 0 EGAERP CC(=O)Nc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925886448 1325343567 /nfs/dbraw/zinc/34/35/67/1325343567.db2.gz HFXZJLKZXLZGBT-LPTQZCDUSA-N 2 0 337.467 3.355 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)n(C)n1 ZINC000926275005 1325500693 /nfs/dbraw/zinc/50/06/93/1325500693.db2.gz MEZPVGYLDDNUNW-PKOBYXMFSA-N 2 0 332.536 3.151 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000926635572 1327645094 /nfs/dbraw/zinc/64/50/94/1327645094.db2.gz PEHKKQAMTAKIJO-CGXNFDGLSA-N 2 0 328.500 3.127 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)[C@H](c2ccccc2)C1 ZINC000926636125 1327646224 /nfs/dbraw/zinc/64/62/24/1327646224.db2.gz RVNSWCCNHGXUFG-JSXRDJHFSA-N 2 0 328.500 3.127 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cccc(C[NH+](C)C)c1 ZINC000926845825 1327738161 /nfs/dbraw/zinc/73/81/61/1327738161.db2.gz SHMDKIHXBMZHPI-FXAWDEMLSA-N 2 0 346.515 3.375 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@@H]([NH2+]C[C@@H]2C=C[C@H]4C[C@@H]2CO4)C3)cc1 ZINC000926939508 1327786056 /nfs/dbraw/zinc/78/60/56/1327786056.db2.gz VQGPEXVDHMILBO-GVUKCBQMSA-N 2 0 338.495 3.220 10 0 EGAERP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000927158168 1327898168 /nfs/dbraw/zinc/89/81/68/1327898168.db2.gz BBQVLSSPUWGWLH-VQIMIIECSA-N 2 0 332.488 3.379 10 0 EGAERP Cc1ccnc(C[NH2+]CCCC[N@@H+](C)C2CC2)c1Br ZINC000865596210 1329718116 /nfs/dbraw/zinc/71/81/16/1329718116.db2.gz VWEYTUFVHDWSNO-UHFFFAOYSA-N 2 0 326.282 3.117 10 0 EGAERP CS[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000865733958 1329733917 /nfs/dbraw/zinc/73/39/17/1329733917.db2.gz CBVIGIXVZAHUOZ-SAABIXHNSA-N 2 0 333.545 3.201 10 0 EGAERP COc1ccc(-n2cc(C[NH2+]C3CCC(C)([NH+](C)C)CC3)cn2)cc1 ZINC000865765046 1329736588 /nfs/dbraw/zinc/73/65/88/1329736588.db2.gz JPDGPJFXBMFIFE-UHFFFAOYSA-N 2 0 342.487 3.233 10 0 EGAERP CC(C)[C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865773971 1329736872 /nfs/dbraw/zinc/73/68/72/1329736872.db2.gz KVGJFCPUYLADOD-PMACEKPBSA-N 2 0 330.516 3.443 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccc(Cl)nc2)(c2ccccc2)CC1 ZINC000865773786 1329736880 /nfs/dbraw/zinc/73/68/80/1329736880.db2.gz JCVLGDOHBDXIBW-UHFFFAOYSA-N 2 0 329.875 3.488 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCC3)C2)(c2ccccc2)CC1 ZINC000865775335 1329737195 /nfs/dbraw/zinc/73/71/95/1329737195.db2.gz VHDYNJVTCBPDFX-LJQANCHMSA-N 2 0 328.500 3.341 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000866230934 1330081487 /nfs/dbraw/zinc/08/14/87/1330081487.db2.gz IRGHSDLSILDAJI-OXQOHEQNSA-N 2 0 333.495 3.066 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866233846 1330082012 /nfs/dbraw/zinc/08/20/12/1330082012.db2.gz ZBQZTXDJUFBTRJ-LAUBAEHRSA-N 2 0 337.511 3.443 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000866343371 1330099300 /nfs/dbraw/zinc/09/93/00/1330099300.db2.gz ZVTVQFPFZDYOCX-LAUBAEHRSA-N 2 0 337.511 3.443 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)C2)cc1 ZINC000866353116 1330101013 /nfs/dbraw/zinc/10/10/13/1330101013.db2.gz WCRQBNOSZZCNKS-GIVPXCGWSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000866515587 1330120629 /nfs/dbraw/zinc/12/06/29/1330120629.db2.gz DCWSNXTZGSJYJD-JTOQLSFASA-N 2 0 329.488 3.485 10 0 EGAERP C[C@@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516003 1330120648 /nfs/dbraw/zinc/12/06/48/1330120648.db2.gz LMCIAPYCPIKWDE-STJZUHDESA-N 2 0 335.467 3.395 10 0 EGAERP C[C@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)C1CC[NH+](C)CC1 ZINC000866557733 1330126068 /nfs/dbraw/zinc/12/60/68/1330126068.db2.gz DLKMFUIVESQSRF-LBPRGKRZSA-N 2 0 344.425 3.058 10 0 EGAERP C[C@@H]([NH2+]Cc1nc(C(F)(F)F)n2c1CCCC2)C1CC[NH+](C)CC1 ZINC000866557732 1330126212 /nfs/dbraw/zinc/12/62/12/1330126212.db2.gz DLKMFUIVESQSRF-GFCCVEGCSA-N 2 0 344.425 3.058 10 0 EGAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866707073 1330143462 /nfs/dbraw/zinc/14/34/62/1330143462.db2.gz LOUIYGCVWAIMRS-HXUWFJFHSA-N 2 0 347.503 3.111 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323016694 1387266891 /nfs/dbraw/zinc/26/68/91/1387266891.db2.gz YPWUIWRJNNXUEN-RBUKOAKNSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001323244600 1387316907 /nfs/dbraw/zinc/31/69/07/1387316907.db2.gz ARTWVFOEFHVGGX-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323813688 1387466261 /nfs/dbraw/zinc/46/62/61/1387466261.db2.gz SMMWROFZNRWDCY-RXVVDRJESA-N 2 0 343.515 3.014 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001323834550 1387468855 /nfs/dbraw/zinc/46/88/55/1387468855.db2.gz ACJWFNIEJGPUIO-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001324100401 1387542480 /nfs/dbraw/zinc/54/24/80/1387542480.db2.gz XGQQSPAPPLIMAE-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001324200763 1387556150 /nfs/dbraw/zinc/55/61/50/1387556150.db2.gz YDWWTRWGYHNUBW-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C1CCCC1 ZINC001324493305 1387646229 /nfs/dbraw/zinc/64/62/29/1387646229.db2.gz ASMGLAQJNAAKSD-WOJBJXKFSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001324556317 1387672573 /nfs/dbraw/zinc/67/25/73/1387672573.db2.gz GRXOYEJRBOBLQC-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001324556704 1387672614 /nfs/dbraw/zinc/67/26/14/1387672614.db2.gz KQQDNJNXKJVZOD-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CCC(C)(C)C)C1 ZINC001324976040 1387866642 /nfs/dbraw/zinc/86/66/42/1387866642.db2.gz KLSMCCHPCLNGNM-FQEVSTJZSA-N 2 0 339.568 3.373 10 0 EGAERP CC1CC[NH+](CCN2C[C@H]3C[N@H+](Cc4ccccc4)C[C@@]3(C)C2)CC1 ZINC001197588593 1368846541 /nfs/dbraw/zinc/84/65/41/1368846541.db2.gz HPHKPRZTHRJZMF-FCHUYYIVSA-N 2 0 341.543 3.172 10 0 EGAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001325532535 1387998538 /nfs/dbraw/zinc/99/85/38/1387998538.db2.gz URNVKDAZWHXYKP-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001325665272 1388025011 /nfs/dbraw/zinc/02/50/11/1388025011.db2.gz LBQZIEBLWOCKFX-MXVIHJGJSA-N 2 0 349.563 3.197 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001325896070 1388069400 /nfs/dbraw/zinc/06/94/00/1388069400.db2.gz BUMWUSZEBWNNCM-PWBPZBFBSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CC[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001326354037 1388163761 /nfs/dbraw/zinc/16/37/61/1388163761.db2.gz UDASZJRYKFDQCA-GOSISDBHSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@H]([NH2+]CCCF)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001326478305 1388206989 /nfs/dbraw/zinc/20/69/89/1388206989.db2.gz ATFVDVSDOXKEQF-INIZCTEOSA-N 2 0 349.494 3.045 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326479565 1388208114 /nfs/dbraw/zinc/20/81/14/1388208114.db2.gz IOBRJUOIYACXGF-DEEXUGAQSA-N 2 0 343.515 3.404 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1Cc1cccc(C)c1 ZINC001128709458 1373303990 /nfs/dbraw/zinc/30/39/90/1373303990.db2.gz PZZPEQFCLWSACT-UYAOXDASSA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265921613 1377171924 /nfs/dbraw/zinc/17/19/24/1377171924.db2.gz SQQDZTFRAHYUIA-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001266110760 1377189811 /nfs/dbraw/zinc/18/98/11/1377189811.db2.gz OMOHZRAQNGPILA-QZTJIDSGSA-N 2 0 339.568 3.466 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC=C(C)C ZINC001266247623 1377245518 /nfs/dbraw/zinc/24/55/18/1377245518.db2.gz QJZYQTOWLIGRFF-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001266328224 1377275010 /nfs/dbraw/zinc/27/50/10/1377275010.db2.gz WVAPNTKNCRBEAN-KRWDZBQOSA-N 2 0 335.536 3.020 10 0 EGAERP CC[NH+](CC)Cc1ccc(CNC(=O)C2([NH+](C)C)CCCC2)cc1 ZINC001135983524 1377287069 /nfs/dbraw/zinc/28/70/69/1377287069.db2.gz WBGVATCOEVSLTN-UHFFFAOYSA-N 2 0 331.504 3.019 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001266382536 1377301906 /nfs/dbraw/zinc/30/19/06/1377301906.db2.gz RVHGSHZWRJKIKK-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266468142 1377314026 /nfs/dbraw/zinc/31/40/26/1377314026.db2.gz KMZIYLLHWIBDTB-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266884484 1377399720 /nfs/dbraw/zinc/39/97/20/1377399720.db2.gz PLTDWYRERQMWCT-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001136715510 1377417857 /nfs/dbraw/zinc/41/78/57/1377417857.db2.gz RFBSQHSSQKTUBY-AEFFLSMTSA-N 2 0 347.503 3.076 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001268271715 1377504803 /nfs/dbraw/zinc/50/48/03/1377504803.db2.gz SRCBAISGBWKSKT-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001271090887 1377623762 /nfs/dbraw/zinc/62/37/62/1377623762.db2.gz BZLXJIDILRVCAJ-OXJNMPFZSA-N 2 0 345.531 3.087 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001272881211 1378081506 /nfs/dbraw/zinc/08/15/06/1378081506.db2.gz BFLQFKZVFOUJOM-AWEZNQCLSA-N 2 0 330.476 3.177 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001327475737 1388530331 /nfs/dbraw/zinc/53/03/31/1388530331.db2.gz XXFLUEXPHGBXBH-UHFFFAOYSA-N 2 0 345.531 3.175 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001277764520 1378248260 /nfs/dbraw/zinc/24/82/60/1378248260.db2.gz VQQJFSHFKXAHHC-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001278664545 1378286696 /nfs/dbraw/zinc/28/66/96/1378286696.db2.gz ZAEODTKBWYWEGF-CTNGQTDRSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001279367993 1378307225 /nfs/dbraw/zinc/30/72/25/1378307225.db2.gz DJCSRYBXQHEILM-UHFFFAOYSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001280833552 1378383893 /nfs/dbraw/zinc/38/38/93/1378383893.db2.gz YWUKYCPCZZIIQQ-SREVYHEPSA-N 2 0 342.487 3.393 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001282678160 1378550996 /nfs/dbraw/zinc/55/09/96/1378550996.db2.gz ONOSBOFDHWTQRA-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001282682233 1378555018 /nfs/dbraw/zinc/55/50/18/1378555018.db2.gz ODBDBYHHJQOWOK-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3=CCCCC3)C[C@@H]2C1 ZINC001282957054 1378684147 /nfs/dbraw/zinc/68/41/47/1378684147.db2.gz CZHLURIHEFLSLA-HSALFYBXSA-N 2 0 347.547 3.044 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@H]2C1 ZINC001282957675 1378685131 /nfs/dbraw/zinc/68/51/31/1378685131.db2.gz IGOGBXLYIXQAQM-IPMKNSEASA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001282977563 1378695298 /nfs/dbraw/zinc/69/52/98/1378695298.db2.gz LFFRQGPHQZFSQB-UHFFFAOYSA-N 2 0 349.563 3.367 10 0 EGAERP Cc1ccccc1C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283228946 1378766130 /nfs/dbraw/zinc/76/61/30/1378766130.db2.gz IXTVSDZSUGTECC-FHWLQOOXSA-N 2 0 345.531 3.100 10 0 EGAERP C[NH+](CCCCCF)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001283332358 1378816235 /nfs/dbraw/zinc/81/62/35/1378816235.db2.gz YWCRPSWPAUGOFG-UHFFFAOYSA-N 2 0 343.531 3.027 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccccc1 ZINC001283432861 1378923374 /nfs/dbraw/zinc/92/33/74/1378923374.db2.gz AJWMVOKERFBQKQ-KURKYZTESA-N 2 0 340.471 3.149 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001283629494 1379065749 /nfs/dbraw/zinc/06/57/49/1379065749.db2.gz JJXVJYJJTUTAGQ-IEBWSBKVSA-N 2 0 349.563 3.124 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001283677016 1379104525 /nfs/dbraw/zinc/10/45/25/1379104525.db2.gz GZGJWRMCOVNBSS-AEFFLSMTSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001283912732 1379263012 /nfs/dbraw/zinc/26/30/12/1379263012.db2.gz DCOVLNTXAIWHNO-AEFFLSMTSA-N 2 0 335.536 3.044 10 0 EGAERP CCc1ccccc1C[NH2+][C@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027521 1379375352 /nfs/dbraw/zinc/37/53/52/1379375352.db2.gz VYUOPLPYHZMXRF-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@H]3CC[NH+](C)C3)CCC[C@H]12 ZINC001284072316 1379435811 /nfs/dbraw/zinc/43/58/11/1379435811.db2.gz QYNOLBIXLOXEBE-WSTZPKSXSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001284072446 1379436081 /nfs/dbraw/zinc/43/60/81/1379436081.db2.gz RITXNZWWKGQOQG-QWFCFKBJSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001284104906 1379478909 /nfs/dbraw/zinc/47/89/09/1379478909.db2.gz ZVZWUKRLOFPVTD-GUDVDZBRSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1c(C(=O)N2C[C@H]([NH2+]CCC(C)(C)C)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001327880907 1388613628 /nfs/dbraw/zinc/61/36/28/1388613628.db2.gz KYKAFQLUXREGGP-KSSFIOAISA-N 2 0 342.487 3.129 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CC[N@@H+](C)C2CCCCC2)CC1(C)C ZINC001284310690 1379699897 /nfs/dbraw/zinc/69/98/97/1379699897.db2.gz RXKRSPWENVZXBD-LJQANCHMSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCCCCC2)C(C)(C)C1 ZINC001284321627 1379712027 /nfs/dbraw/zinc/71/20/27/1379712027.db2.gz BTLGMQCPDMKTPP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284546067 1379955070 /nfs/dbraw/zinc/95/50/70/1379955070.db2.gz UQPUIGOMXIZEPI-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(C)C)[NH+](C)C ZINC001284554081 1379962951 /nfs/dbraw/zinc/96/29/51/1379962951.db2.gz YRTRIYRYIOZKTC-VQTJNVASSA-N 2 0 345.531 3.183 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccc(F)cc1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001284558486 1379967454 /nfs/dbraw/zinc/96/74/54/1379967454.db2.gz MPDQEAOOSQAQTD-SJLPKXTDSA-N 2 0 349.494 3.007 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001284558490 1379967558 /nfs/dbraw/zinc/96/75/58/1379967558.db2.gz MTPRAJKHGFCHHF-ROUUACIJSA-N 2 0 339.568 3.464 10 0 EGAERP C[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCCCC1 ZINC001284630355 1380033532 /nfs/dbraw/zinc/03/35/32/1380033532.db2.gz GJMLRZJCALKNHH-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001284781164 1380204207 /nfs/dbraw/zinc/20/42/07/1380204207.db2.gz MUPYFSJLZDMURT-UHFFFAOYSA-N 2 0 345.531 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)C2CC([NH2+]CCCC3CCC3)C2)CC1 ZINC001284812975 1380237316 /nfs/dbraw/zinc/23/73/16/1380237316.db2.gz MVXNRVVXMILBOF-UHFFFAOYSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001284816243 1380241463 /nfs/dbraw/zinc/24/14/63/1380241463.db2.gz UYFUUBUJKQAJET-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001328084409 1388666799 /nfs/dbraw/zinc/66/67/99/1388666799.db2.gz YIIUKYQAVRTKIY-OZSKJFCKSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(C)(C)C1 ZINC001328101337 1388671990 /nfs/dbraw/zinc/67/19/90/1388671990.db2.gz FCHBYSDWVTVRHE-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[N@@H+]1CCCC[C@@H]1C ZINC001290954641 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337.552 3.220 10 0 EGAERP CC1CCC(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001316634114 1384496417 /nfs/dbraw/zinc/49/64/17/1384496417.db2.gz AFONLVOXLYKWPC-NZKYNAJMSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001316652768 1384506605 /nfs/dbraw/zinc/50/66/05/1384506605.db2.gz PPXVANZAGIRQPR-ZIFCJYIRSA-N 2 0 343.515 3.106 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001316658124 1384508471 /nfs/dbraw/zinc/50/84/71/1384508471.db2.gz SKBRTYLIUGHGEZ-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001316663888 1384510890 /nfs/dbraw/zinc/51/08/90/1384510890.db2.gz KDYLXRSGBOLOBL-DFQSSKMNSA-N 2 0 345.531 3.018 10 0 EGAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001316667594 1384513009 /nfs/dbraw/zinc/51/30/09/1384513009.db2.gz XZNJBAXZYADCMI-QFBILLFUSA-N 2 0 331.504 3.036 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1CC)[NH+](C)C ZINC001316739013 1384554356 /nfs/dbraw/zinc/55/43/56/1384554356.db2.gz LKBDDIRCKARPJY-IPMKNSEASA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)[NH+](C)C ZINC001316811622 1384609474 /nfs/dbraw/zinc/60/94/74/1384609474.db2.gz NPYOUZHHYHLLQT-RTBURBONSA-N 2 0 345.531 3.134 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001316845392 1384634217 /nfs/dbraw/zinc/63/42/17/1384634217.db2.gz HOGBUVKSZOOVLE-GOSISDBHSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316879460 1384664858 /nfs/dbraw/zinc/66/48/58/1384664858.db2.gz LSMWDKKXNILXFO-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](CCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001316920975 1384691940 /nfs/dbraw/zinc/69/19/40/1384691940.db2.gz PFNSRSWHAOGPGF-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001316997143 1384753930 /nfs/dbraw/zinc/75/39/30/1384753930.db2.gz CKNBVPBXZXMSRZ-ROUUACIJSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001317035728 1384805255 /nfs/dbraw/zinc/80/52/55/1384805255.db2.gz NZXNGGXWBNHSQX-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CCC(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001317069126 1384838082 /nfs/dbraw/zinc/83/80/82/1384838082.db2.gz JUGSOSKYXMHOPF-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001317069406 1384838936 /nfs/dbraw/zinc/83/89/36/1384838936.db2.gz METDJRJYOVHTGI-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317070196 1384839187 /nfs/dbraw/zinc/83/91/87/1384839187.db2.gz ZCGXCTUWDINPJU-WLMAVBAVSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001317099922 1384863555 /nfs/dbraw/zinc/86/35/55/1384863555.db2.gz LEXYIKIXMDKYSI-WWTANLFGSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317116321 1384876331 /nfs/dbraw/zinc/87/63/31/1384876331.db2.gz NLMPPRGPGMNXKY-HDICACEKSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001317124412 1384882199 /nfs/dbraw/zinc/88/21/99/1384882199.db2.gz LMJVROIQIUXWLS-KDURUIRLSA-N 2 0 345.531 3.063 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317139679 1384906453 /nfs/dbraw/zinc/90/64/53/1384906453.db2.gz MXQPTTZNLGIGAG-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001317182035 1384957826 /nfs/dbraw/zinc/95/78/26/1384957826.db2.gz ZBMAMVDELLAGHF-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317183043 1384958803 /nfs/dbraw/zinc/95/88/03/1384958803.db2.gz MDIOKYATQGOLIG-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001317194177 1384968501 /nfs/dbraw/zinc/96/85/01/1384968501.db2.gz IPRJJQAHAPJXOS-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001317199517 1384974008 /nfs/dbraw/zinc/97/40/08/1384974008.db2.gz MFSNCYXQOHNSMR-LLHWWHOWSA-N 2 0 335.536 3.189 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001317201039 1384977089 /nfs/dbraw/zinc/97/70/89/1384977089.db2.gz YPNSGYUQMUILLM-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317225470 1385004927 /nfs/dbraw/zinc/00/49/27/1385004927.db2.gz DPTUZLNKWWLDLS-GTPINHCMSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CCC(C)(C)C ZINC001317259673 1385029945 /nfs/dbraw/zinc/02/99/45/1385029945.db2.gz XXWVSPJWLVXSGR-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001317295051 1385067747 /nfs/dbraw/zinc/06/77/47/1385067747.db2.gz UMDXCBCGHLQBHX-OALUTQOASA-N 2 0 345.531 3.335 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317345474 1385095961 /nfs/dbraw/zinc/09/59/61/1385095961.db2.gz AUCYRFXTLHKUBM-SFFCAUCYSA-N 2 0 343.515 3.156 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001317362698 1385105033 /nfs/dbraw/zinc/10/50/33/1385105033.db2.gz HBFXFDAXJHNBKE-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP CC[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccc1F)[NH+](C)C ZINC001317424906 1385131516 /nfs/dbraw/zinc/13/15/16/1385131516.db2.gz VEXMRJWNDLDGRN-IEBWSBKVSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001317426980 1385132108 /nfs/dbraw/zinc/13/21/08/1385132108.db2.gz ORBZXISVQHRUKG-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCC(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCCCC1 ZINC001317437394 1385140000 /nfs/dbraw/zinc/14/00/00/1385140000.db2.gz UTRKOTMJZFPHJH-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001317490613 1385190400 /nfs/dbraw/zinc/19/04/00/1385190400.db2.gz CLQWUYLFDJQQDA-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317527459 1385249208 /nfs/dbraw/zinc/24/92/08/1385249208.db2.gz DEYZTUKWUYZPTA-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)C1CC1 ZINC001317552516 1385312953 /nfs/dbraw/zinc/31/29/53/1385312953.db2.gz SUUQDKSJFZGHKV-MJGOQNOKSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@@H](c1cccc(Cl)c1)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317562261 1385341420 /nfs/dbraw/zinc/34/14/20/1385341420.db2.gz XCLXSXMRZOPNSR-HNNXBMFYSA-N 2 0 349.906 3.077 10 0 EGAERP COC(=O)c1csc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001175601719 1385345695 /nfs/dbraw/zinc/34/56/95/1385345695.db2.gz RREQDEWULXUWCD-UHFFFAOYSA-N 2 0 338.517 3.335 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001317623916 1385358647 /nfs/dbraw/zinc/35/86/47/1385358647.db2.gz QHTWLNNNFUFOKO-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC(CC)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001317717841 1385419869 /nfs/dbraw/zinc/41/98/69/1385419869.db2.gz JAOCJHLJTKOHDN-AHRSYUTCSA-N 2 0 345.531 3.210 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)C1 ZINC001317745235 1385433651 /nfs/dbraw/zinc/43/36/51/1385433651.db2.gz ZKOQNEBNNOJJSX-KHSMEXAKSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317917239 1385567661 /nfs/dbraw/zinc/56/76/61/1385567661.db2.gz FIPHGKMIPPSNLU-SLVIYJBESA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C[C@@H](C)CC(C)C ZINC001318539258 1385743103 /nfs/dbraw/zinc/74/31/03/1385743103.db2.gz CFSBJOQVSLXJNX-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cccc(C)c1 ZINC001318541421 1385744767 /nfs/dbraw/zinc/74/47/67/1385744767.db2.gz MZDSDBZQPFXPHH-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cc2ccccc2s1 ZINC001698615953 1406248591 /nfs/dbraw/zinc/24/85/91/1406248591.db2.gz AUXLPGSFVCREGQ-INIZCTEOSA-N 2 0 347.528 3.226 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001318665363 1385825648 /nfs/dbraw/zinc/82/56/48/1385825648.db2.gz YOXQATMKVYGZNX-UHFFFAOYSA-N 2 0 331.504 3.181 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCC2)c1 ZINC001318670775 1385828747 /nfs/dbraw/zinc/82/87/47/1385828747.db2.gz MPDIEEYFADAKAC-UHFFFAOYSA-N 2 0 345.531 3.162 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001318804728 1385857410 /nfs/dbraw/zinc/85/74/10/1385857410.db2.gz LOTYWPXBQPWKNF-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001318917604 1385881900 /nfs/dbraw/zinc/88/19/00/1385881900.db2.gz MRIPTXURTAWCPJ-IBGZPJMESA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001319009102 1385922463 /nfs/dbraw/zinc/92/24/63/1385922463.db2.gz RENVIHSMPIEEGK-LJQANCHMSA-N 2 0 331.504 3.067 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001698627863 1406270406 /nfs/dbraw/zinc/27/04/06/1406270406.db2.gz XJWDUKSAWQKRLB-IBGZPJMESA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319608054 1386206695 /nfs/dbraw/zinc/20/66/95/1386206695.db2.gz GOEJSGXUSWTVFO-YZGWKJHDSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1CCCC1 ZINC001319954151 1386414352 /nfs/dbraw/zinc/41/43/52/1386414352.db2.gz HPQYYNJUVVWMEZ-LJQANCHMSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@H](C)c2cccc(C)c2)CC[N@@H+]1C ZINC001319998865 1386444663 /nfs/dbraw/zinc/44/46/63/1386444663.db2.gz FWEFJWLSTWXQOY-YZGWKJHDSA-N 2 0 345.531 3.177 10 0 EGAERP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320561466 1386650705 /nfs/dbraw/zinc/65/07/05/1386650705.db2.gz GWVQJYZZMMVXJZ-ROUUACIJSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[NH2+]C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CCCC[C@@H]1C ZINC001698659492 1406310652 /nfs/dbraw/zinc/31/06/52/1406310652.db2.gz GXCWXJZPCLSAHZ-AZUAARDMSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001320734982 1386704724 /nfs/dbraw/zinc/70/47/24/1386704724.db2.gz PRZKHMXGPAOANB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320755376 1386709541 /nfs/dbraw/zinc/70/95/41/1386709541.db2.gz HZDYTYIMBXYFQK-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+]CCc2ccc(F)cc2)CC1 ZINC001320753824 1386709555 /nfs/dbraw/zinc/70/95/55/1386709555.db2.gz JWERSPOWSJQAOO-UHFFFAOYSA-N 2 0 342.458 3.115 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001320777047 1386714975 /nfs/dbraw/zinc/71/49/75/1386714975.db2.gz GGMFJVCTECMLSK-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001320778960 1386715743 /nfs/dbraw/zinc/71/57/43/1386715743.db2.gz ZYCYCFCXFDSRLU-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321108750 1386811980 /nfs/dbraw/zinc/81/19/80/1386811980.db2.gz GMDIXAIJZKBCFX-XHHZUUQWSA-N 2 0 347.547 3.236 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001321281416 1386866063 /nfs/dbraw/zinc/86/60/63/1386866063.db2.gz QIJPWQDBXBUKAP-WRFKIARRSA-N 2 0 343.515 3.050 10 0 EGAERP CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001321662848 1386953372 /nfs/dbraw/zinc/95/33/72/1386953372.db2.gz KFMHPCVMYJBNRI-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341703 1387163773 /nfs/dbraw/zinc/16/37/73/1387163773.db2.gz YYXPBFTXJRJRGI-RBUKOAKNSA-N 2 0 347.547 3.236 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001322354988 1387168149 /nfs/dbraw/zinc/16/81/49/1387168149.db2.gz UXHJDXHOZLUHLN-RBUKOAKNSA-N 2 0 335.536 3.093 10 0 EGAERP CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001322505570 1387197810 /nfs/dbraw/zinc/19/78/10/1387197810.db2.gz MXFAASSEALOZFL-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001322656840 1387220203 /nfs/dbraw/zinc/22/02/03/1387220203.db2.gz CSLPRLMOCJMTLG-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001698709662 1406351262 /nfs/dbraw/zinc/35/12/62/1406351262.db2.gz LFDGJGIVMRZKIM-FNMLWVPJSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001329256500 1389037920 /nfs/dbraw/zinc/03/79/20/1389037920.db2.gz HHVPXPBSXFDPDK-CTWPCTMYSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001698711413 1406353737 /nfs/dbraw/zinc/35/37/37/1406353737.db2.gz KPIBRSPYSZHKOA-WNOVQSLWSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CCC1CCCCC1 ZINC001329485502 1389125827 /nfs/dbraw/zinc/12/58/27/1389125827.db2.gz AREDXLSBQLFQIM-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001329825278 1389232056 /nfs/dbraw/zinc/23/20/56/1389232056.db2.gz PIWJWHRSJJIDSX-PJHKVULZSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330086395 1389305977 /nfs/dbraw/zinc/30/59/77/1389305977.db2.gz QEIRTQLVUAVXPN-GGVAOPBYSA-N 2 0 349.563 3.290 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001330230969 1389353473 /nfs/dbraw/zinc/35/34/73/1389353473.db2.gz UOLMRYKGZAUBHP-MMLFBZMQSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001330839942 1389542335 /nfs/dbraw/zinc/54/23/35/1389542335.db2.gz BASPKDQSGHMBOO-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001331017209 1389598955 /nfs/dbraw/zinc/59/89/55/1389598955.db2.gz XOFBCILVYPFDSY-GHOSXJJBSA-N 2 0 335.536 3.138 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001331926659 1389913979 /nfs/dbraw/zinc/91/39/79/1389913979.db2.gz MJADZQAKFPKGSZ-LOYZYROESA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001331927914 1389915106 /nfs/dbraw/zinc/91/51/06/1389915106.db2.gz IJXNHNMPZNXEMI-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001332033626 1389954257 /nfs/dbraw/zinc/95/42/57/1389954257.db2.gz VOOUDOGLAUAXEV-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001332183993 1390026251 /nfs/dbraw/zinc/02/62/51/1390026251.db2.gz GOSVYPHFEQPCJW-AEFFLSMTSA-N 2 0 337.552 3.409 10 0 EGAERP CCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001332183996 1390027720 /nfs/dbraw/zinc/02/77/20/1390027720.db2.gz GOSVYPHFEQPCJW-WMZOPIPTSA-N 2 0 337.552 3.409 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001332215391 1390046809 /nfs/dbraw/zinc/04/68/09/1390046809.db2.gz ARPVHZIXMNSAHP-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@H]1C ZINC001332221643 1390054364 /nfs/dbraw/zinc/05/43/64/1390054364.db2.gz ZNBRWPPMBSDVHA-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001332322210 1390086259 /nfs/dbraw/zinc/08/62/59/1390086259.db2.gz LKUHSHVDIAUGQS-OANMOWAGSA-N 2 0 349.563 3.338 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001332322663 1390086685 /nfs/dbraw/zinc/08/66/85/1390086685.db2.gz MOZJBRCNSQYGGG-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342341 1390091689 /nfs/dbraw/zinc/09/16/89/1390091689.db2.gz UCRLYLQVZMKKSX-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]([NH2+][C@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)c1ccccc1 ZINC001332436948 1390117009 /nfs/dbraw/zinc/11/70/09/1390117009.db2.gz ISAGZRVEBGMQCZ-MOPGFXCFSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+](C)CCN(C(=O)[C@H]2CC[NH+](C)C2)C(C)C)c1 ZINC001332740614 1390177024 /nfs/dbraw/zinc/17/70/24/1390177024.db2.gz OHAVDTUEOKMYAF-ICSRJNTNSA-N 2 0 345.531 3.177 10 0 EGAERP C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001332941247 1390220810 /nfs/dbraw/zinc/22/08/10/1390220810.db2.gz TZNXVDURLDMZRZ-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP FC(F)(F)[C@H]1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)O1 ZINC001333017004 1390237363 /nfs/dbraw/zinc/23/73/63/1390237363.db2.gz LXSISSNJHLNRTK-RBSFLKMASA-N 2 0 330.350 3.035 10 0 EGAERP CCCCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001333089128 1390247482 /nfs/dbraw/zinc/24/74/82/1390247482.db2.gz MHFBPVCEVCVHHC-UHFFFAOYSA-N 2 0 337.552 3.409 10 0 EGAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C[N@@H+]2C1 ZINC001346270641 1390919099 /nfs/dbraw/zinc/91/90/99/1390919099.db2.gz BFCJXHDFQREXJP-YVWKXTFCSA-N 2 0 341.499 3.341 10 0 EGAERP C[C@H]1CCc2ccccc2N1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001346834237 1390981261 /nfs/dbraw/zinc/98/12/61/1390981261.db2.gz IZRFDMGXNFWIGE-KRWDZBQOSA-N 2 0 347.466 3.198 10 0 EGAERP Cc1ccc(C[NH+]2CC[C@H](C[N@@H+](C)CC3CCC(O)CC3)C2)s1 ZINC001347113526 1391002165 /nfs/dbraw/zinc/00/21/65/1391002165.db2.gz HHTORFNWCWDZSS-LXPRWKDFSA-N 2 0 336.545 3.361 10 0 EGAERP C[NH+](C)[C@@H]1CCC[N@H+](CCCN(C(=O)OC(C)(C)C)C2CC2)CC1 ZINC001351400232 1391636827 /nfs/dbraw/zinc/63/68/27/1391636827.db2.gz SUULJYOGLJAABL-MRXNPFEDSA-N 2 0 339.524 3.192 10 0 EGAERP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001731999536 1428209068 /nfs/dbraw/zinc/20/90/68/1428209068.db2.gz FSUBQDHIVZKRQB-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001479328086 1392215797 /nfs/dbraw/zinc/21/57/97/1392215797.db2.gz LIEABWRZTWTKMM-BQWVTDQKSA-N 2 0 335.536 3.090 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001479389400 1392231386 /nfs/dbraw/zinc/23/13/86/1392231386.db2.gz AMYVGIDQAFRHAU-SOAMZJECSA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479735254 1392346472 /nfs/dbraw/zinc/34/64/72/1392346472.db2.gz OODAYKIHKNAWDB-PDTMIUJASA-N 2 0 349.563 3.386 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479745952 1392362209 /nfs/dbraw/zinc/36/22/09/1392362209.db2.gz QCLDPEFVAKSODE-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)Cc2cncn2C)CC(C)(C)C1 ZINC001479748479 1392366875 /nfs/dbraw/zinc/36/68/75/1392366875.db2.gz WMBCGIWJRQRMEM-KRWDZBQOSA-N 2 0 348.535 3.006 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CCC1=CCCCC1 ZINC001479771435 1392378444 /nfs/dbraw/zinc/37/84/44/1392378444.db2.gz FFZYXPBHKOSNLM-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)(C)CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)C1CC1 ZINC001479873222 1392448614 /nfs/dbraw/zinc/44/86/14/1392448614.db2.gz ZHBBACIWUUNXIV-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001479913141 1392480822 /nfs/dbraw/zinc/48/08/22/1392480822.db2.gz PMKISBHJLHPLDV-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001479988857 1392520588 /nfs/dbraw/zinc/52/05/88/1392520588.db2.gz VNEASTJUXWBNBU-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001479996135 1392527993 /nfs/dbraw/zinc/52/79/93/1392527993.db2.gz XUEGRWQYMGWBNJ-UHFFFAOYSA-N 2 0 339.568 3.467 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480039954 1392545847 /nfs/dbraw/zinc/54/58/47/1392545847.db2.gz CHEAULLDTOLTLJ-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001480051391 1392551905 /nfs/dbraw/zinc/55/19/05/1392551905.db2.gz QIILDZPTZQDXRD-YLJYHZDGSA-N 2 0 347.547 3.236 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001480179822 1392612253 /nfs/dbraw/zinc/61/22/53/1392612253.db2.gz PRKGVCRCLRCNMZ-SEBOWIOWSA-N 2 0 347.547 3.163 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccsc1 ZINC001480183063 1392614344 /nfs/dbraw/zinc/61/43/44/1392614344.db2.gz KMBFLXVJEAXMQN-AYHJJNSGSA-N 2 0 349.544 3.092 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCC3CC3)CC[C@@H]21)CC(C)(C)C ZINC001480190242 1392620073 /nfs/dbraw/zinc/62/00/73/1392620073.db2.gz YOPOVCKDUQHLMC-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CC(CC)CC)C1 ZINC001480285969 1392659683 /nfs/dbraw/zinc/65/96/83/1392659683.db2.gz NLKKATSNQPNUSF-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001480307957 1392669351 /nfs/dbraw/zinc/66/93/51/1392669351.db2.gz YBVJUDBCTYEILX-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001480320684 1392680559 /nfs/dbraw/zinc/68/05/59/1392680559.db2.gz YDJYXSRYBRDXDP-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001480346912 1392698493 /nfs/dbraw/zinc/69/84/93/1392698493.db2.gz ZVNQIEUKRPTXHF-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480384971 1392729386 /nfs/dbraw/zinc/72/93/86/1392729386.db2.gz YWAZLHLEJHORIG-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001480405812 1392743274 /nfs/dbraw/zinc/74/32/74/1392743274.db2.gz KCXXMGXGMGJFTH-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001480490446 1392767833 /nfs/dbraw/zinc/76/78/33/1392767833.db2.gz GUUASAQDTAPOCO-INIZCTEOSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595518 1392811110 /nfs/dbraw/zinc/81/11/10/1392811110.db2.gz BTXAPQKCLDIBQE-SJORKVTESA-N 2 0 347.547 3.480 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001480597903 1392812771 /nfs/dbraw/zinc/81/27/71/1392812771.db2.gz WCKLXWZMVDPARO-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480705466 1392868705 /nfs/dbraw/zinc/86/87/05/1392868705.db2.gz QRSYONBURSPAQE-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2cc(C)ccc2C)CC[N@@H+]1C ZINC001480765779 1392920653 /nfs/dbraw/zinc/92/06/53/1392920653.db2.gz UVNVDYRYGCXWKC-YZGWKJHDSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480827964 1392966742 /nfs/dbraw/zinc/96/67/42/1392966742.db2.gz JBYHQTLXFJZNTI-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C(C)(C)C)cc1 ZINC001481056562 1393108261 /nfs/dbraw/zinc/10/82/61/1393108261.db2.gz RGWIROISLRMLQJ-LJQANCHMSA-N 2 0 345.531 3.016 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H](CNC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001481127503 1393127102 /nfs/dbraw/zinc/12/71/02/1393127102.db2.gz XAOKWMQRNWZPIE-MHJFOBGBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001481294788 1393159777 /nfs/dbraw/zinc/15/97/77/1393159777.db2.gz GPDDNJBNZGEULV-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@@H]([NH2+]CCN(C)C(=O)C[NH+]1CCCC1)c1ccc(C(C)(C)C)cc1 ZINC001481315273 1393162442 /nfs/dbraw/zinc/16/24/42/1393162442.db2.gz UNRJBRIGVXSQML-QGZVFWFLSA-N 2 0 345.531 3.189 10 0 EGAERP C[C@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481327302 1393164405 /nfs/dbraw/zinc/16/44/05/1393164405.db2.gz FAOPPELLJUASKY-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001481498579 1394343894 /nfs/dbraw/zinc/34/38/94/1394343894.db2.gz QKKKGOCFHWGMCT-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001481514450 1394362243 /nfs/dbraw/zinc/36/22/43/1394362243.db2.gz XLYPSFJUHVLBSX-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001490888579 1394368026 /nfs/dbraw/zinc/36/80/26/1394368026.db2.gz CRSORNNHFJUZNK-WGSAOQKQSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001481528227 1394382521 /nfs/dbraw/zinc/38/25/21/1394382521.db2.gz BBMPRXSWEFDATG-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001491125440 1394442244 /nfs/dbraw/zinc/44/22/44/1394442244.db2.gz KOJBTTGPAPGZDE-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001491125903 1394442358 /nfs/dbraw/zinc/44/23/58/1394442358.db2.gz QUBFKKVMTXKUQE-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491183373 1394461856 /nfs/dbraw/zinc/46/18/56/1394461856.db2.gz DECXVRVJSKMSSJ-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccccc1 ZINC001491210642 1394472746 /nfs/dbraw/zinc/47/27/46/1394472746.db2.gz SRQCMMACESLHJV-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC001491210644 1394473098 /nfs/dbraw/zinc/47/30/98/1394473098.db2.gz SRQCMMACESLHJV-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCCC[C@H]2CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001491236921 1394488878 /nfs/dbraw/zinc/48/88/78/1394488878.db2.gz PWRADWDOXWCERY-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001491253886 1394492920 /nfs/dbraw/zinc/49/29/20/1394492920.db2.gz WRMIAPZDQJMIGI-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001481753838 1394498920 /nfs/dbraw/zinc/49/89/20/1394498920.db2.gz YWECAUXWOKYZCM-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001698954152 1406698590 /nfs/dbraw/zinc/69/85/90/1406698590.db2.gz RJOMFWHUVXBHGE-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@H+](C)CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001698955508 1406702751 /nfs/dbraw/zinc/70/27/51/1406702751.db2.gz PBQJEBSWLSICHS-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCC(CC)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001482002434 1394661569 /nfs/dbraw/zinc/66/15/69/1394661569.db2.gz JKUIKEZZUXUKIX-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001482018733 1394675098 /nfs/dbraw/zinc/67/50/98/1394675098.db2.gz QFDFARYYASNQLK-GUDVDZBRSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001482219695 1394813601 /nfs/dbraw/zinc/81/36/01/1394813601.db2.gz NJEVWHAUNDEBTK-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CCCC1 ZINC001482231636 1394826441 /nfs/dbraw/zinc/82/64/41/1394826441.db2.gz UMEGWRVAFRNURV-SFHVURJKSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001482315432 1394887245 /nfs/dbraw/zinc/88/72/45/1394887245.db2.gz XWCFIMKXLIAUEM-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482381581 1394941131 /nfs/dbraw/zinc/94/11/31/1394941131.db2.gz XRRKPAQARNSACB-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482390833 1394950964 /nfs/dbraw/zinc/95/09/64/1394950964.db2.gz IGNMMFYNONDHPQ-UYAOXDASSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001482413866 1394978362 /nfs/dbraw/zinc/97/83/62/1394978362.db2.gz PNHBXZWSWVVUIO-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001482430420 1394990453 /nfs/dbraw/zinc/99/04/53/1394990453.db2.gz AHFDUFXYSBRPFF-YLJYHZDGSA-N 2 0 343.515 3.155 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001482432722 1394993128 /nfs/dbraw/zinc/99/31/28/1394993128.db2.gz IDALENXPZUTOLV-IRXDYDNUSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482463901 1395020590 /nfs/dbraw/zinc/02/05/90/1395020590.db2.gz XAWDDPFMKGVOQZ-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001482469815 1395024504 /nfs/dbraw/zinc/02/45/04/1395024504.db2.gz FGYQHNGXKAVEHN-RTBURBONSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[N@H+](C)CCC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001482508089 1395061082 /nfs/dbraw/zinc/06/10/82/1395061082.db2.gz NAKWAYKIFHUISW-RRFGBZISSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001482508184 1395061170 /nfs/dbraw/zinc/06/11/70/1395061170.db2.gz OQNSBSRYYDYPHY-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH+](C)CC2CCCC2)CC1 ZINC001482507969 1395062105 /nfs/dbraw/zinc/06/21/05/1395062105.db2.gz UUPQEIHZDCWQKP-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483846957 1395113487 /nfs/dbraw/zinc/11/34/87/1395113487.db2.gz KLYURENAJWGVHQ-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001483952439 1395159221 /nfs/dbraw/zinc/15/92/21/1395159221.db2.gz IRHBLTSAXRCFSV-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001484006842 1395181657 /nfs/dbraw/zinc/18/16/57/1395181657.db2.gz NSDILNPYHVNRAR-DHJFXDNESA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001484060944 1395224006 /nfs/dbraw/zinc/22/40/06/1395224006.db2.gz NDXQZXMBXSJKDX-YLJYHZDGSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1=CCCCC1 ZINC001698977425 1406748275 /nfs/dbraw/zinc/74/82/75/1406748275.db2.gz JFGZPCBBNGQAKH-FQEVSTJZSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001484173173 1395316195 /nfs/dbraw/zinc/31/61/95/1395316195.db2.gz CLGKPGASBIQPJR-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[N@@H+](C)CC(C)(C)C)C2 ZINC001484390964 1395361230 /nfs/dbraw/zinc/36/12/30/1395361230.db2.gz KDVWFJKKGLYHNQ-REPLKXPHSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001484461383 1395395933 /nfs/dbraw/zinc/39/59/33/1395395933.db2.gz IUFHLZVLXNAKJV-OTWHNJEPSA-N 2 0 337.552 3.076 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484463558 1395397032 /nfs/dbraw/zinc/39/70/32/1395397032.db2.gz HKFIPZBDOXUNPI-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484542863 1395424419 /nfs/dbraw/zinc/42/44/19/1395424419.db2.gz YWNNCZAZJLVIIZ-IKLBINMZSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001484556992 1395438496 /nfs/dbraw/zinc/43/84/96/1395438496.db2.gz MSISXCZOVUCGEP-KKHYBRAUSA-N 2 0 343.515 3.043 10 0 EGAERP CC/C=C\CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001484556994 1395438616 /nfs/dbraw/zinc/43/86/16/1395438616.db2.gz MSISXCZOVUCGEP-PRPIBZDOSA-N 2 0 343.515 3.043 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001484559295 1395442529 /nfs/dbraw/zinc/44/25/29/1395442529.db2.gz PGUKDLOLYMFFNZ-MRXNPFEDSA-N 2 0 331.504 3.238 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001484724123 1395487595 /nfs/dbraw/zinc/48/75/95/1395487595.db2.gz NNCHQXNMBJZQKF-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001485110807 1395660059 /nfs/dbraw/zinc/66/00/59/1395660059.db2.gz WXFBFBLVPJNQMN-SOAGJPPSSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001485164675 1395678846 /nfs/dbraw/zinc/67/88/46/1395678846.db2.gz UCDPUEXDGSVBIS-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@H+](C)CCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001698991361 1406781564 /nfs/dbraw/zinc/78/15/64/1406781564.db2.gz UHVOZFUOIWFIMR-UHFFFAOYSA-N 2 0 330.476 3.227 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485303835 1395780580 /nfs/dbraw/zinc/78/05/80/1395780580.db2.gz SOQRNHKFDACUIB-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001485323982 1395798867 /nfs/dbraw/zinc/79/88/67/1395798867.db2.gz WBGCQRDTONJUAA-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@H](C)c1cccc(F)c1 ZINC001485336453 1395809060 /nfs/dbraw/zinc/80/90/60/1395809060.db2.gz KREFCUYBWVHINA-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)CC2=CCCCC2)C1 ZINC001485342018 1395813103 /nfs/dbraw/zinc/81/31/03/1395813103.db2.gz NJUZLXDGEOZUTA-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CCCCC1 ZINC001485359042 1395834672 /nfs/dbraw/zinc/83/46/72/1395834672.db2.gz SKVKCKZBYJGPGO-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001485378375 1395860820 /nfs/dbraw/zinc/86/08/20/1395860820.db2.gz VMHSFMGNZOBHQR-QFBILLFUSA-N 2 0 333.520 3.087 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001485382527 1395866279 /nfs/dbraw/zinc/86/62/79/1395866279.db2.gz GMTBLTPXPTYVMH-MSOLQXFVSA-N 2 0 345.531 3.403 10 0 EGAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485463085 1395937745 /nfs/dbraw/zinc/93/77/45/1395937745.db2.gz JZFFHHCBYLGTCY-QZTJIDSGSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001485482500 1395965764 /nfs/dbraw/zinc/96/57/64/1395965764.db2.gz OVCRXJGCQLRGSK-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001485483242 1395967537 /nfs/dbraw/zinc/96/75/37/1395967537.db2.gz WPIQVMHJZWEPCT-GBESFXJTSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001485737714 1396124275 /nfs/dbraw/zinc/12/42/75/1396124275.db2.gz XFGFARXNFRZYFY-XLIONFOSSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001485960663 1396173948 /nfs/dbraw/zinc/17/39/48/1396173948.db2.gz JVBNCDZJNJTICT-MJGOQNOKSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001486123720 1396178769 /nfs/dbraw/zinc/17/87/69/1396178769.db2.gz GXJORWLZQXRPEM-IRXDYDNUSA-N 2 0 339.568 3.370 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001486210234 1396183078 /nfs/dbraw/zinc/18/30/78/1396183078.db2.gz JAZDMBVIHLUSND-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+][C@@H](C)CCNC(=O)CC[NH+](C)C ZINC001503457846 1396255164 /nfs/dbraw/zinc/25/51/64/1396255164.db2.gz HWVPENMXJGWLLG-KRWDZBQOSA-N 2 0 341.499 3.084 10 0 EGAERP Cc1c(C(=O)NCCC[C@@H]2CCC[N@H+]2CC(C)C)ccc2c[nH+]cn21 ZINC001492159608 1396309812 /nfs/dbraw/zinc/30/98/12/1396309812.db2.gz DSOHFKILQWTIIC-QGZVFWFLSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1)[NH+](C)C ZINC001492164926 1396310935 /nfs/dbraw/zinc/31/09/35/1396310935.db2.gz JJMGYAKRBPOYAU-OALUTQOASA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001493123155 1396336134 /nfs/dbraw/zinc/33/61/34/1396336134.db2.gz CVZHOWKBUGYQSJ-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001495496220 1396538089 /nfs/dbraw/zinc/53/80/89/1396538089.db2.gz MMGRXIHXMNMUBJ-UHFFFAOYSA-N 2 0 345.531 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001495917777 1396572420 /nfs/dbraw/zinc/57/24/20/1396572420.db2.gz GBYNCGWRUYUPMM-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001495963803 1396579146 /nfs/dbraw/zinc/57/91/46/1396579146.db2.gz RHUILRSVDAQBGE-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001496054247 1396592925 /nfs/dbraw/zinc/59/29/25/1396592925.db2.gz FAUONZYACDQKCR-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001496338246 1396655072 /nfs/dbraw/zinc/65/50/72/1396655072.db2.gz FGBOKBBZDSURGA-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001496373081 1396673734 /nfs/dbraw/zinc/67/37/34/1396673734.db2.gz CGQDNPFJAIBIPV-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)c1sccc1C[NH+](C)C ZINC001497398435 1396754903 /nfs/dbraw/zinc/75/49/03/1396754903.db2.gz WVZUSDWPUHPFAP-UHFFFAOYSA-N 2 0 339.549 3.298 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1cccc2ccccc21 ZINC001497676347 1396779981 /nfs/dbraw/zinc/77/99/81/1396779981.db2.gz YKWWOANSHKFBHW-DKRLNXSXSA-N 2 0 339.483 3.115 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001497764583 1396834315 /nfs/dbraw/zinc/83/43/15/1396834315.db2.gz PIZNQRZCWXQWMN-AQKVLALTSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC1CCC1)[NH+](C)C ZINC001689091934 1396897371 /nfs/dbraw/zinc/89/73/71/1396897371.db2.gz XGGPXLGNPSEJQT-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498061451 1396917803 /nfs/dbraw/zinc/91/78/03/1396917803.db2.gz ZKIBPNWXWRQUIK-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC001689176665 1396960295 /nfs/dbraw/zinc/96/02/95/1396960295.db2.gz HACLRCYWHKUZMC-SLFFLAALSA-N 2 0 343.515 3.030 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)[C@@H]1CC)[NH+](C)C ZINC001689192398 1396967085 /nfs/dbraw/zinc/96/70/85/1396967085.db2.gz DHCYEHBJRBFBSY-ZCNNSNEGSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001689307400 1397028543 /nfs/dbraw/zinc/02/85/43/1397028543.db2.gz BYQDKLXCYZNOST-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C\CC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001689812457 1404151498 /nfs/dbraw/zinc/15/14/98/1404151498.db2.gz DZEBGWPDFYPKQF-WAYWQWQTSA-N 2 0 328.460 3.051 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1CCCCC1 ZINC001689859461 1404173812 /nfs/dbraw/zinc/17/38/12/1404173812.db2.gz QHKNTYMOPHHUPH-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001689862088 1404174271 /nfs/dbraw/zinc/17/42/71/1404174271.db2.gz MHZBYFNVWPFQIS-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC1CCCCC1 ZINC001689933009 1404215044 /nfs/dbraw/zinc/21/50/44/1404215044.db2.gz XERZNIARUBSRSL-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123092 1404317114 /nfs/dbraw/zinc/31/71/14/1404317114.db2.gz IPEXCDCVOLQSMC-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001690189454 1404391474 /nfs/dbraw/zinc/39/14/74/1404391474.db2.gz UDOFJTBASKCFPM-QULHZPMSSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001690194697 1404401715 /nfs/dbraw/zinc/40/17/15/1404401715.db2.gz MCIUCYYZFMROEH-HEVSSNLLSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690341310 1404484030 /nfs/dbraw/zinc/48/40/30/1404484030.db2.gz OCJNJOMEVKOZNL-ZIFCJYIRSA-N 2 0 349.563 3.457 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690383377 1404515462 /nfs/dbraw/zinc/51/54/62/1404515462.db2.gz NMNVQQOTXAPJNL-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCC[NH+](CC3CCCCCC3)C2)C1 ZINC001690392365 1404533189 /nfs/dbraw/zinc/53/31/89/1404533189.db2.gz VVHAYAZCIPDFHN-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455714 1404584460 /nfs/dbraw/zinc/58/44/60/1404584460.db2.gz WTCHAYDNBCNUNI-ZEVQVBBLSA-N 2 0 337.552 3.291 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001690457850 1404586911 /nfs/dbraw/zinc/58/69/11/1404586911.db2.gz SSIGMIYREJDWFX-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690502579 1404616128 /nfs/dbraw/zinc/61/61/28/1404616128.db2.gz ZWZBUOFBRSNBAE-RJCMGOLDSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690538571 1404626286 /nfs/dbraw/zinc/62/62/86/1404626286.db2.gz JZIORDHYDHBHBQ-OFVHNRDLSA-N 2 0 349.563 3.482 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001690610814 1404651481 /nfs/dbraw/zinc/65/14/81/1404651481.db2.gz VETZIUUSFQCCLI-KRWDZBQOSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001690610750 1404651576 /nfs/dbraw/zinc/65/15/76/1404651576.db2.gz UCVWEGZYBQREJM-INIZCTEOSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001690650998 1404682507 /nfs/dbraw/zinc/68/25/07/1404682507.db2.gz WHGAPDWFTKDQTH-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788982 1404735959 /nfs/dbraw/zinc/73/59/59/1404735959.db2.gz YEBYAYRLYBFFLU-RBUKOAKNSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690823382 1404759696 /nfs/dbraw/zinc/75/96/96/1404759696.db2.gz XGTLQJFUUVJHDX-PKOBYXMFSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691113931 1405054524 /nfs/dbraw/zinc/05/45/24/1405054524.db2.gz YLMQHEIIKQMJGM-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691146779 1405080715 /nfs/dbraw/zinc/08/07/15/1405080715.db2.gz DHGNGWMQUPOPLS-AKHDSKFASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](CC2CC(C)(C)C2)C2CC2)CC1 ZINC001691232456 1405171371 /nfs/dbraw/zinc/17/13/71/1405171371.db2.gz BBNNPRDIGCPSRZ-UHFFFAOYSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001691268632 1405185658 /nfs/dbraw/zinc/18/56/58/1405185658.db2.gz WWGRRPJXKQHKAM-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCC[NH+](CC3CCCC3)[C@H]2C1(C)C ZINC001691428082 1405261872 /nfs/dbraw/zinc/26/18/72/1405261872.db2.gz IVGOLPZMYHPPJO-MISYRCLQSA-N 2 0 349.563 3.122 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@@H](C)C2)CC[N@@H+]1CCCC(C)(C)C ZINC001691499074 1405305227 /nfs/dbraw/zinc/30/52/27/1405305227.db2.gz NBMOKZHEGQZWCX-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691541022 1405330822 /nfs/dbraw/zinc/33/08/22/1405330822.db2.gz LEKBHSHXSMLLPA-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001691760988 1405476118 /nfs/dbraw/zinc/47/61/18/1405476118.db2.gz PCSLLZQXYMXQOA-QUCCMNQESA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691785926 1405494506 /nfs/dbraw/zinc/49/45/06/1405494506.db2.gz IXHREGORIJLRKT-WNOVQSLWSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC=C(C)C)[NH+](CC)CC ZINC001691793800 1405503696 /nfs/dbraw/zinc/50/36/96/1405503696.db2.gz CHODOKXZNLQYAY-RBUKOAKNSA-N 2 0 337.552 3.386 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691832289 1405546114 /nfs/dbraw/zinc/54/61/14/1405546114.db2.gz ZDKQIRVUKUXZGF-HNBVOPMISA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691874493 1405597647 /nfs/dbraw/zinc/59/76/47/1405597647.db2.gz BOJDZAVSDOLHGL-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001691904873 1405628614 /nfs/dbraw/zinc/62/86/14/1405628614.db2.gz KGEHXWWQBBGJPW-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001691955389 1405673380 /nfs/dbraw/zinc/67/33/80/1405673380.db2.gz SEGKXHLFIIFBNF-DFQSSKMNSA-N 2 0 345.531 3.352 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001691968998 1405685092 /nfs/dbraw/zinc/68/50/92/1405685092.db2.gz SNJHISFIAOPQPW-RLWBPELLSA-N 2 0 349.563 3.243 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1CCC1=CCCCC1 ZINC001692026898 1405745244 /nfs/dbraw/zinc/74/52/44/1405745244.db2.gz CWHBYJUYWQAIOO-RBUKOAKNSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001692027059 1405746313 /nfs/dbraw/zinc/74/63/13/1405746313.db2.gz JLVHEYBWLLDAKM-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)[C@H]1C ZINC001692211343 1405846679 /nfs/dbraw/zinc/84/66/79/1405846679.db2.gz FQUWSXLXPDFKPX-APWZRJJASA-N 2 0 331.504 3.131 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001692333270 1405952877 /nfs/dbraw/zinc/95/28/77/1405952877.db2.gz MJBQTJICRWOFDP-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692384215 1405989715 /nfs/dbraw/zinc/98/97/15/1405989715.db2.gz DECHHNOEFWQGRT-KJBZUCPPSA-N 2 0 341.499 3.003 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+](C)C ZINC001698584022 1406198982 /nfs/dbraw/zinc/19/89/82/1406198982.db2.gz ZAUOTBYAYAILLN-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001732018498 1428235170 /nfs/dbraw/zinc/23/51/70/1428235170.db2.gz WNNGCGTUXVLAPL-XLIONFOSSA-N 2 0 345.531 3.309 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601960 1406227613 /nfs/dbraw/zinc/22/76/13/1406227613.db2.gz XQTIMPYXTHEVFK-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732024391 1428242717 /nfs/dbraw/zinc/24/27/17/1428242717.db2.gz KTGDUXAQLAUINY-RBUKOAKNSA-N 2 0 331.504 3.106 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036555 1428258556 /nfs/dbraw/zinc/25/85/56/1428258556.db2.gz GRWASPRVFRPXHN-MOPGFXCFSA-N 2 0 337.552 3.218 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001732080521 1428335068 /nfs/dbraw/zinc/33/50/68/1428335068.db2.gz UQLUKEFYTXTHHZ-OALUTQOASA-N 2 0 345.531 3.321 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001732091207 1428357895 /nfs/dbraw/zinc/35/78/95/1428357895.db2.gz AGHXKXUEBCENFR-WSTZPKSXSA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)(C(=O)NCC1C[NH+](CCC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001732132522 1428379068 /nfs/dbraw/zinc/37/90/68/1428379068.db2.gz PPTCUDSRHFDYBN-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213439 1428461748 /nfs/dbraw/zinc/46/17/48/1428461748.db2.gz ZXVHJRNQQMAARX-FUHWJXTLSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001732230881 1428477778 /nfs/dbraw/zinc/47/77/78/1428477778.db2.gz MCWTZFNYHUFPNO-QZTJIDSGSA-N 2 0 335.536 3.212 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001732232970 1428479565 /nfs/dbraw/zinc/47/95/65/1428479565.db2.gz KGUGTLQGMJIHAL-FNYRVFDFSA-N 2 0 349.563 3.482 10 0 EGAERP CC1CCC(C[NH2+]C[C@@](C)(NC(=O)C[N@H+](C)C2CCC2)C2CC2)CC1 ZINC001732245051 1428489172 /nfs/dbraw/zinc/48/91/72/1428489172.db2.gz LBQYGNLERAJEEC-MYKUNDNFSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001732267667 1428505609 /nfs/dbraw/zinc/50/56/09/1428505609.db2.gz RPUBIZJEJQYBBJ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001732311288 1428524389 /nfs/dbraw/zinc/52/43/89/1428524389.db2.gz YYXPKXJTQHCXLK-CADBVGFASA-N 2 0 335.536 3.211 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001732404816 1428568395 /nfs/dbraw/zinc/56/83/95/1428568395.db2.gz BZQIUQHOBVPIJJ-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001732424256 1428575511 /nfs/dbraw/zinc/57/55/11/1428575511.db2.gz DJHOYFZFDCTDEU-ZWKOTPCHSA-N 2 0 345.531 3.285 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732454402 1428588997 /nfs/dbraw/zinc/58/89/97/1428588997.db2.gz GDOZBSCBFHEMQM-KRWDZBQOSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001732454589 1428589028 /nfs/dbraw/zinc/58/90/28/1428589028.db2.gz IJAZDWDXPMGFDC-JLAWEPINSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CCCCC1 ZINC001732476662 1428602719 /nfs/dbraw/zinc/60/27/19/1428602719.db2.gz GRJJBGFXSDQIRD-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCC2CCC2)C2CCCCC2)C1 ZINC001732477897 1428603895 /nfs/dbraw/zinc/60/38/95/1428603895.db2.gz BOAOQLBWGNRDLF-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCC2)C1 ZINC001732516091 1428635025 /nfs/dbraw/zinc/63/50/25/1428635025.db2.gz DQZNFPKVMDCABW-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CCCC1CCC1 ZINC001732521408 1428640022 /nfs/dbraw/zinc/64/00/22/1428640022.db2.gz YHFREZKIJQKACV-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732523000 1428641979 /nfs/dbraw/zinc/64/19/79/1428641979.db2.gz DMFFKDATLOBDSS-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699186178 1412560028 /nfs/dbraw/zinc/56/00/28/1412560028.db2.gz CSEAUWHOSLHTPY-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001699188928 1412561510 /nfs/dbraw/zinc/56/15/10/1412561510.db2.gz USKFGIAEFUGFOW-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001699190561 1412562666 /nfs/dbraw/zinc/56/26/66/1412562666.db2.gz USESLSYADKWMDR-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699397437 1412711531 /nfs/dbraw/zinc/71/15/31/1412711531.db2.gz QBSMNQLYEGBIQH-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001699483737 1412878926 /nfs/dbraw/zinc/87/89/26/1412878926.db2.gz OIMVJAPSGRWXKW-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001699487614 1412883884 /nfs/dbraw/zinc/88/38/84/1412883884.db2.gz MAQIEKWLWARRQP-MOPGFXCFSA-N 2 0 335.536 3.093 10 0 EGAERP C[N@H+](CCC(=O)NC[C@@H]1CC[NH+]1CC1CCCC1)C1CCCCC1 ZINC001699624874 1412990474 /nfs/dbraw/zinc/99/04/74/1412990474.db2.gz JILRLIUTLOQRIY-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699682818 1413077096 /nfs/dbraw/zinc/07/70/96/1413077096.db2.gz SXGPOBGHSXFNCG-HSALFYBXSA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C)C1 ZINC001699732573 1413144299 /nfs/dbraw/zinc/14/42/99/1413144299.db2.gz HFJQFKKGWGDULE-XXCOWLKOSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1)[NH+]1CCCCC1 ZINC001699798292 1413208367 /nfs/dbraw/zinc/20/83/67/1413208367.db2.gz FYHPPMKFEXWKQR-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001699804699 1413217500 /nfs/dbraw/zinc/21/75/00/1413217500.db2.gz DEWASMHKROTIRX-NGXITPROSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001699842351 1413271314 /nfs/dbraw/zinc/27/13/14/1413271314.db2.gz WZSPBIVLJAOSRI-PXNSSMCTSA-N 2 0 339.568 3.227 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001699845195 1413273939 /nfs/dbraw/zinc/27/39/39/1413273939.db2.gz ALIBOKVHDLILHA-DDRDIHNTSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001699864810 1413301011 /nfs/dbraw/zinc/30/10/11/1413301011.db2.gz FEAXXSZRASVCHD-IBGZPJMESA-N 2 0 345.531 3.308 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699937831 1413381095 /nfs/dbraw/zinc/38/10/95/1413381095.db2.gz VDEFNFKOIWRJNG-BTFXCVNISA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001700020139 1413467702 /nfs/dbraw/zinc/46/77/02/1413467702.db2.gz LMFPKOGZNCGEGU-SLFFLAALSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001700065501 1413481899 /nfs/dbraw/zinc/48/18/99/1413481899.db2.gz LTCMNBIEUAADMS-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001700073323 1413487748 /nfs/dbraw/zinc/48/77/48/1413487748.db2.gz PXFDJLJDWALRJO-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700091312 1413503758 /nfs/dbraw/zinc/50/37/58/1413503758.db2.gz LZPURVRZNTVMQU-QGZVFWFLSA-N 2 0 331.504 3.019 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001700100629 1413518331 /nfs/dbraw/zinc/51/83/31/1413518331.db2.gz WRDBNIJAYWBVRE-ROUUACIJSA-N 2 0 343.515 3.261 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700101780 1413519877 /nfs/dbraw/zinc/51/98/77/1413519877.db2.gz QYEUFSRYAAAJPZ-FHWLQOOXSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001700132125 1413548257 /nfs/dbraw/zinc/54/82/57/1413548257.db2.gz PUUBCPJBIOVNQZ-IBGZPJMESA-N 2 0 349.563 3.458 10 0 EGAERP CCc1ccccc1C[N@H+]1CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700179027 1413589729 /nfs/dbraw/zinc/58/97/29/1413589729.db2.gz MWOIYEJTXYWBCM-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C(\C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC)CC1 ZINC001700196181 1413636886 /nfs/dbraw/zinc/63/68/86/1413636886.db2.gz AGAFLNWYKJLTIJ-QDQSDWHCSA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1Cc2ccccc2C[N@@H+]1C(C)C)[NH+](CC)CC ZINC001700226656 1413680637 /nfs/dbraw/zinc/68/06/37/1413680637.db2.gz KBGRWSBRPGBDRN-PMACEKPBSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[C@H]1CC[NH+](C)C1)C2 ZINC001700230225 1413688971 /nfs/dbraw/zinc/68/89/71/1413688971.db2.gz PTFSQDUMZCLION-TZIWHRDSSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001700282731 1413728411 /nfs/dbraw/zinc/72/84/11/1413728411.db2.gz FLXJFGLRRNJELF-UHFFFAOYSA-N 2 0 335.536 3.166 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001700291597 1413745260 /nfs/dbraw/zinc/74/52/60/1413745260.db2.gz IMVGBNHDWXKTFQ-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C)[NH+](CC)CC ZINC001700292734 1413747247 /nfs/dbraw/zinc/74/72/47/1413747247.db2.gz NEVJTSPASFPLAT-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CC2)CC1(C)C)[NH+](CC)CC ZINC001700292738 1413747442 /nfs/dbraw/zinc/74/74/42/1413747442.db2.gz NEVJTSPASFPLAT-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001700353300 1413850889 /nfs/dbraw/zinc/85/08/89/1413850889.db2.gz DVSCQXVQILUCMB-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001700354028 1413852643 /nfs/dbraw/zinc/85/26/43/1413852643.db2.gz SWAQQMVVYNRTSS-WOJBJXKFSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC001700361248 1413874795 /nfs/dbraw/zinc/87/47/95/1413874795.db2.gz ABQJEFUJRPJXIE-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700361286 1413875267 /nfs/dbraw/zinc/87/52/67/1413875267.db2.gz BDHWENYIWLQLAS-HEVSSNLLSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732570822 1428766015 /nfs/dbraw/zinc/76/60/15/1428766015.db2.gz QNEMMLUFAUNECI-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700434105 1413998526 /nfs/dbraw/zinc/99/85/26/1413998526.db2.gz DSDIQKLKLPEOLE-SOAGJPPSSA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700438209 1414008296 /nfs/dbraw/zinc/00/82/96/1414008296.db2.gz VSVFEIXXBRPFLQ-CTWPCTMYSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001700465395 1414071965 /nfs/dbraw/zinc/07/19/65/1414071965.db2.gz DJEPNRALWBVETD-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@H](C)c1ccccc1F ZINC001700469369 1414082616 /nfs/dbraw/zinc/08/26/16/1414082616.db2.gz HRUHYYVZGGODQG-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700513327 1414163557 /nfs/dbraw/zinc/16/35/57/1414163557.db2.gz ZBYOYSUKOJGKTB-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700515746 1414166991 /nfs/dbraw/zinc/16/69/91/1414166991.db2.gz KKXGOLBRVLTVFV-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700517667 1414170218 /nfs/dbraw/zinc/17/02/18/1414170218.db2.gz ODKBBDZBKFPSHV-PMACEKPBSA-N 2 0 347.547 3.093 10 0 EGAERP CC1(C)CC(C[N@@H+]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)C1 ZINC001700575696 1414249970 /nfs/dbraw/zinc/24/99/70/1414249970.db2.gz IAEQOLPTZPVHCH-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC[NH+](C)C3CCCCC3)C[C@@]2(C)C1 ZINC001700624627 1414296135 /nfs/dbraw/zinc/29/61/35/1414296135.db2.gz XIGVSKOGPWQHGG-OYRHEFFESA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001700634203 1414302149 /nfs/dbraw/zinc/30/21/49/1414302149.db2.gz OSNWIZFFQHZWDG-DBUSCRMASA-N 2 0 340.471 3.097 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001700677737 1414332352 /nfs/dbraw/zinc/33/23/52/1414332352.db2.gz GTPGDKFHCRSYOL-MSOLQXFVSA-N 2 0 345.531 3.415 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1CCCCC1 ZINC001700759238 1414431878 /nfs/dbraw/zinc/43/18/78/1414431878.db2.gz GLGZUNNSPUZTJH-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CCC2=CCCCC2)C1 ZINC001732590186 1428811333 /nfs/dbraw/zinc/81/13/33/1428811333.db2.gz YBDUVRIVVHWZQY-FQEVSTJZSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001700850659 1414498912 /nfs/dbraw/zinc/49/89/12/1414498912.db2.gz HHGUWWKARQMYOD-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001700862129 1414511109 /nfs/dbraw/zinc/51/11/09/1414511109.db2.gz ANQMIJKPEOJVOY-XLIONFOSSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001700864437 1414515274 /nfs/dbraw/zinc/51/52/74/1414515274.db2.gz RRAFZHAMLLOFET-NSHGMRRFSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001700880964 1414536904 /nfs/dbraw/zinc/53/69/04/1414536904.db2.gz NRSIAOBDXGFICD-MSOLQXFVSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001700920093 1414572612 /nfs/dbraw/zinc/57/26/12/1414572612.db2.gz RWTSWKRFUIGTEP-SFHVURJKSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001700926006 1414579099 /nfs/dbraw/zinc/57/90/99/1414579099.db2.gz JCVGTJAUXWZYQK-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C[NH+](C)C(C)C ZINC001700979990 1414619912 /nfs/dbraw/zinc/61/99/12/1414619912.db2.gz HRPQZLDOYHILMQ-UHFFFAOYSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1=CCCCC1 ZINC001732593882 1428823909 /nfs/dbraw/zinc/82/39/09/1428823909.db2.gz DWGOXKMVKZBUKD-LJQANCHMSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001701005843 1414661097 /nfs/dbraw/zinc/66/10/97/1414661097.db2.gz PMMHISIGAYCYBA-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001701007273 1414663983 /nfs/dbraw/zinc/66/39/83/1414663983.db2.gz VHYBPIQEFFYPQI-OXUXSNCKSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001701007230 1414664026 /nfs/dbraw/zinc/66/40/26/1414664026.db2.gz UPZQFNNOFSYQTM-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001732907826 1429041624 /nfs/dbraw/zinc/04/16/24/1429041624.db2.gz DFQZMZAQBMNRHK-FQQSSWHASA-N 2 0 349.563 3.483 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1F ZINC001732941908 1429066783 /nfs/dbraw/zinc/06/67/83/1429066783.db2.gz HPPZSDOLSFCZBJ-BOYOMHKPSA-N 2 0 347.478 3.023 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001733035864 1429160641 /nfs/dbraw/zinc/16/06/41/1429160641.db2.gz OUILUADHECNVPM-MRDYICJFSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001733037531 1429163341 /nfs/dbraw/zinc/16/33/41/1429163341.db2.gz IVNNWILMGUUDKF-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707057964 1417173791 /nfs/dbraw/zinc/17/37/91/1417173791.db2.gz CQKHXWYSNDXEHF-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001707062230 1417177838 /nfs/dbraw/zinc/17/78/38/1417177838.db2.gz LTWHBSYVNYPAFF-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)cc1 ZINC001733039829 1429167814 /nfs/dbraw/zinc/16/78/14/1429167814.db2.gz YZCDHLYUTWECSY-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001707165730 1417226990 /nfs/dbraw/zinc/22/69/90/1417226990.db2.gz MMXXRZHUAPLRMP-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001733040837 1429169250 /nfs/dbraw/zinc/16/92/50/1429169250.db2.gz AHBSAVLXHZKTBP-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001707237622 1417257879 /nfs/dbraw/zinc/25/78/79/1417257879.db2.gz IOKCBZCYSNHSSV-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001707253614 1417266965 /nfs/dbraw/zinc/26/69/65/1417266965.db2.gz XYUPUTLQJDLBLK-RTFJMEGXSA-N 2 0 349.563 3.432 10 0 EGAERP CC1CCC(C[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)CC1 ZINC001707275894 1417282916 /nfs/dbraw/zinc/28/29/16/1417282916.db2.gz RSNORTFAVZGKMI-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001707276475 1417283734 /nfs/dbraw/zinc/28/37/34/1417283734.db2.gz NIZKYEZFUJVTNF-SFHVURJKSA-N 2 0 325.541 3.076 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001707417836 1417325928 /nfs/dbraw/zinc/32/59/28/1417325928.db2.gz ZRXDZSQMINFPIY-QGZVFWFLSA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707418897 1417327364 /nfs/dbraw/zinc/32/73/64/1417327364.db2.gz XUSMTUVNJLGYAR-LPHOPBHVSA-N 2 0 349.494 3.057 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001712990567 1417542176 /nfs/dbraw/zinc/54/21/76/1417542176.db2.gz DICYKGACIYVUAP-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001713014450 1417567343 /nfs/dbraw/zinc/56/73/43/1417567343.db2.gz HRMAZXIWRWMMEN-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)c1ccccc1F ZINC001713027994 1417579562 /nfs/dbraw/zinc/57/95/62/1417579562.db2.gz PMUZCBLIXZIDJM-SJORKVTESA-N 2 0 349.494 3.057 10 0 EGAERP CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001713052324 1417604151 /nfs/dbraw/zinc/60/41/51/1417604151.db2.gz BEZPKSCEYKHHER-UHFFFAOYSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001713089271 1417635775 /nfs/dbraw/zinc/63/57/75/1417635775.db2.gz NCVKACDHQMAISL-PXNSSMCTSA-N 2 0 345.531 3.402 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001713098585 1417648743 /nfs/dbraw/zinc/64/87/43/1417648743.db2.gz QYSZMKBYWBOGHP-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCCC(C)C)CC1 ZINC001713102171 1417657083 /nfs/dbraw/zinc/65/70/83/1417657083.db2.gz OORBODIXQRJZMC-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001713113015 1417676250 /nfs/dbraw/zinc/67/62/50/1417676250.db2.gz ULZBYSXIYPPGKE-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP 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ZINC001714418250 1419155103 /nfs/dbraw/zinc/15/51/03/1419155103.db2.gz XFKMMLHVBWAFDE-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001714452071 1419184085 /nfs/dbraw/zinc/18/40/85/1419184085.db2.gz CDEWFJSLBCWMQK-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714542813 1419268086 /nfs/dbraw/zinc/26/80/86/1419268086.db2.gz SOQIDQOCIBHTGH-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571404 1419303357 /nfs/dbraw/zinc/30/33/57/1419303357.db2.gz CPNMVAYACRMPAC-QFBILLFUSA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@@H](C)c1cccc(C)c1 ZINC001714585106 1419326143 /nfs/dbraw/zinc/32/61/43/1419326143.db2.gz WCBGHDLPMISISF-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP CC[N@@H+](C/C=C/c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714585568 1419327321 /nfs/dbraw/zinc/32/73/21/1419327321.db2.gz CGLIAYZNCZGXNZ-JLHYYAGUSA-N 2 0 343.515 3.012 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714607016 1419365538 /nfs/dbraw/zinc/36/55/38/1419365538.db2.gz KGBBSDVDJRFHNT-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001714624493 1419393326 /nfs/dbraw/zinc/39/33/26/1419393326.db2.gz WTZAAJSEHQGAOB-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CN(CC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001714727045 1419485165 /nfs/dbraw/zinc/48/51/65/1419485165.db2.gz DUVJFIRKQVUHSY-KURKYZTESA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714754474 1419495281 /nfs/dbraw/zinc/49/52/81/1419495281.db2.gz YFZUSIQDQWMQRJ-LPHOPBHVSA-N 2 0 343.531 3.216 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1)[NH+](CC)CC ZINC001714814306 1419525248 /nfs/dbraw/zinc/52/52/48/1419525248.db2.gz VOOMPDGDLUITCI-PKOBYXMFSA-N 2 0 337.552 3.290 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001714815343 1419525997 /nfs/dbraw/zinc/52/59/97/1419525997.db2.gz FLSVZYMZKKFOFZ-MSOLQXFVSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001714840665 1419552955 /nfs/dbraw/zinc/55/29/55/1419552955.db2.gz XICWZYDRTNVSOU-AEFFLSMTSA-N 2 0 349.494 3.056 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714864389 1419589521 /nfs/dbraw/zinc/58/95/21/1419589521.db2.gz OMSOQFNSTSMVIS-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714865407 1419591744 /nfs/dbraw/zinc/59/17/44/1419591744.db2.gz KLSRDQQYIPCVHV-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001714867335 1419594806 /nfs/dbraw/zinc/59/48/06/1419594806.db2.gz NUVWZPJWMIILHR-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001715013431 1419741713 /nfs/dbraw/zinc/74/17/13/1419741713.db2.gz CABQYMZDCRWJHA-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001715032847 1419765684 /nfs/dbraw/zinc/76/56/84/1419765684.db2.gz UCCJMWJFCWSTAR-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001715040627 1419779030 /nfs/dbraw/zinc/77/90/30/1419779030.db2.gz RRFGOOFIMPUEDU-ROUUACIJSA-N 2 0 349.544 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001715237580 1419968589 /nfs/dbraw/zinc/96/85/89/1419968589.db2.gz WOZPPQXPESRHPM-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001715256918 1419979293 /nfs/dbraw/zinc/97/92/93/1419979293.db2.gz NRWUAYWYPDOBIX-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCC2)C1 ZINC001715302730 1420010738 /nfs/dbraw/zinc/01/07/38/1420010738.db2.gz DJGKQGYJIYWDNG-SFHVURJKSA-N 2 0 335.536 3.093 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1CC)CC2 ZINC001715315591 1420024584 /nfs/dbraw/zinc/02/45/84/1420024584.db2.gz BXSWSCAZXIWHCA-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCCC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001715336498 1420040804 /nfs/dbraw/zinc/04/08/04/1420040804.db2.gz DHOSISHNMUQLSF-HNNXBMFYSA-N 2 0 330.476 3.273 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001715365041 1420062250 /nfs/dbraw/zinc/06/22/50/1420062250.db2.gz REFNZOPWAQTBCN-LPHOPBHVSA-N 2 0 343.531 3.072 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715385609 1420082650 /nfs/dbraw/zinc/08/26/50/1420082650.db2.gz KPPAMUXROWREJR-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715387634 1420084863 /nfs/dbraw/zinc/08/48/63/1420084863.db2.gz FPEMCLRXSZQHQT-YSIASYRMSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715396325 1420094117 /nfs/dbraw/zinc/09/41/17/1420094117.db2.gz WNUPOAVCKOGUQN-IBHATUTGSA-N 2 0 343.943 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CCCCC1 ZINC001715399029 1420097232 /nfs/dbraw/zinc/09/72/32/1420097232.db2.gz PISJRQXNPXGFLJ-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001715404318 1420103034 /nfs/dbraw/zinc/10/30/34/1420103034.db2.gz ZTZIQKVYIOZBJL-YSIASYRMSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001715408804 1420105618 /nfs/dbraw/zinc/10/56/18/1420105618.db2.gz DSSLRRLQWDDIJQ-BEFAXECRSA-N 2 0 340.471 3.049 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH+](C)Cc2ccccc2)CC1 ZINC001715497316 1420178805 /nfs/dbraw/zinc/17/88/05/1420178805.db2.gz GHYIKJMXEQQQJU-UHFFFAOYSA-N 2 0 345.531 3.087 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001715535635 1420229920 /nfs/dbraw/zinc/22/99/20/1420229920.db2.gz DIDBNDLQOFMEPN-PMACEKPBSA-N 2 0 345.531 3.006 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C)c1 ZINC001715622144 1420268731 /nfs/dbraw/zinc/26/87/31/1420268731.db2.gz QKPXVCPBSVLCOI-PKOBYXMFSA-N 2 0 333.520 3.047 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001715750060 1420323861 /nfs/dbraw/zinc/32/38/61/1420323861.db2.gz XZJISEUEWFJPFT-UHFFFAOYSA-N 2 0 345.531 3.137 10 0 EGAERP CC(C)(C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001715816587 1420354774 /nfs/dbraw/zinc/35/47/74/1420354774.db2.gz JGFXGNONVUFHRC-BQYQJAHWSA-N 2 0 347.547 3.403 10 0 EGAERP C[NH+](C)C1(C(=O)NC/C=C\C[NH2+]CCC2CCCCCC2)CCC1 ZINC001715827057 1420359076 /nfs/dbraw/zinc/35/90/76/1420359076.db2.gz OLQCFUQONWFBLR-FPLPWBNLSA-N 2 0 335.536 3.093 10 0 EGAERP CC1(C)CCC(C[NH2+]C/C=C\CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001715843713 1420365099 /nfs/dbraw/zinc/36/50/99/1420365099.db2.gz QNHCYVRFARQZBB-ARJAWSKDSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC1CCCCCC1)[NH+]1CCCCCC1 ZINC001715874881 1420378509 /nfs/dbraw/zinc/37/85/09/1420378509.db2.gz FAUPIKADAQFNCE-CSHXORCISA-N 2 0 349.563 3.483 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(c2ccccc2)CC1)NC(=O)CC[NH+](C)C ZINC001715993106 1420448075 /nfs/dbraw/zinc/44/80/75/1420448075.db2.gz PIVWKWCAGDQASB-ZJRDLVKKSA-N 2 0 345.531 3.006 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001716051535 1420515787 /nfs/dbraw/zinc/51/57/87/1420515787.db2.gz ZTAYFUVTAIPYSF-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001716168682 1420549005 /nfs/dbraw/zinc/54/90/05/1420549005.db2.gz QMVCETYAJZXMLB-QUCCMNQESA-N 2 0 345.531 3.101 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001716297116 1420597167 /nfs/dbraw/zinc/59/71/67/1420597167.db2.gz WWSNKHHGWDCHHP-HMTUNPETSA-N 2 0 349.563 3.195 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001716351536 1420614877 /nfs/dbraw/zinc/61/48/77/1420614877.db2.gz ZANPCTCTJLPISY-OVKVCFKUSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001716351535 1420615028 /nfs/dbraw/zinc/61/50/28/1420615028.db2.gz ZANPCTCTJLPISY-LIXSYLKWSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001716466398 1420679198 /nfs/dbraw/zinc/67/91/98/1420679198.db2.gz ZQIGMBBLPOCOPY-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](C[N@H+](C)[C@@H](C)c1ccc2ccccc2c1)NC(=O)CC[NH+](C)C ZINC001716494093 1420715954 /nfs/dbraw/zinc/71/59/54/1420715954.db2.gz XTOPCKGFESDXKX-IRXDYDNUSA-N 2 0 341.499 3.289 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CCC2=CCCCC2)CC[N@@H+]1C ZINC001716542804 1420755259 /nfs/dbraw/zinc/75/52/59/1420755259.db2.gz UEFHXNXRKIAEKO-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001716546881 1420756893 /nfs/dbraw/zinc/75/68/93/1420756893.db2.gz AMEKMXAKKCGCBU-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1 ZINC001716567383 1420762802 /nfs/dbraw/zinc/76/28/02/1420762802.db2.gz QJICQZDAJFWPAE-QGZVFWFLSA-N 2 0 333.520 3.164 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001716653333 1420806552 /nfs/dbraw/zinc/80/65/52/1420806552.db2.gz FVANHXMVMRADIK-RBUKOAKNSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCCC2CCC2)CC1)[NH+]1CCCCC1 ZINC001716682196 1420836497 /nfs/dbraw/zinc/83/64/97/1420836497.db2.gz IUXYEULZCUSURM-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001716683053 1420836953 /nfs/dbraw/zinc/83/69/53/1420836953.db2.gz RDOMKSLLXQFECO-MJGOQNOKSA-N 2 0 343.515 3.169 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)c1cccc(Cl)c1 ZINC001716684974 1420838445 /nfs/dbraw/zinc/83/84/45/1420838445.db2.gz KYXZMNNFHAUPRR-AWEZNQCLSA-N 2 0 349.906 3.124 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001716695267 1420848407 /nfs/dbraw/zinc/84/84/07/1420848407.db2.gz CHLXOSAFHYPLOO-CTWPCTMYSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001716711486 1420864318 /nfs/dbraw/zinc/86/43/18/1420864318.db2.gz XAJIYXGLDNCCSG-CEXWTWQISA-N 2 0 335.536 3.116 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001716726427 1420884813 /nfs/dbraw/zinc/88/48/13/1420884813.db2.gz KSWXHAAQGTZAIX-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001716726426 1420884923 /nfs/dbraw/zinc/88/49/23/1420884923.db2.gz KSWXHAAQGTZAIX-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001716727862 1420886601 /nfs/dbraw/zinc/88/66/01/1420886601.db2.gz KGSNZXJWAGNBBU-FPLPWBNLSA-N 2 0 349.563 3.389 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001716796159 1420928919 /nfs/dbraw/zinc/92/89/19/1420928919.db2.gz QGKHRXALMHPYNV-SREVYHEPSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716799909 1420932939 /nfs/dbraw/zinc/93/29/39/1420932939.db2.gz SGYGEOVQSAVCMS-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001716953226 1421049098 /nfs/dbraw/zinc/04/90/98/1421049098.db2.gz WOIXRRXYJICJPF-KKHYBRAUSA-N 2 0 349.563 3.245 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]C(C)C ZINC001716955964 1421050916 /nfs/dbraw/zinc/05/09/16/1421050916.db2.gz UFNIESNKRZPRHB-VQTJNVASSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001716964951 1421054628 /nfs/dbraw/zinc/05/46/28/1421054628.db2.gz GUCUERSMTWMDLT-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001716967390 1421055774 /nfs/dbraw/zinc/05/57/74/1421055774.db2.gz SCCOTJBFILZQCS-DOTOQJQBSA-N 2 0 340.471 3.049 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716972340 1421057598 /nfs/dbraw/zinc/05/75/98/1421057598.db2.gz ZOCPUSDDIGAKDR-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC)c1ccccc1 ZINC001716999809 1421070038 /nfs/dbraw/zinc/07/00/38/1421070038.db2.gz SFZIUDDKYJVBDD-RNQOJCNYSA-N 2 0 343.515 3.059 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001717036788 1421090861 /nfs/dbraw/zinc/09/08/61/1421090861.db2.gz WLIHFKTVLAAFAC-LXORQPIJSA-N 2 0 347.547 3.140 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCCC2)CC1 ZINC001717122886 1421125778 /nfs/dbraw/zinc/12/57/78/1421125778.db2.gz PYGDGPCEQQCENL-WGSAOQKQSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001717130135 1421130966 /nfs/dbraw/zinc/13/09/66/1421130966.db2.gz LKRLUHFYSHFKJQ-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)C1 ZINC001717160670 1421150978 /nfs/dbraw/zinc/15/09/78/1421150978.db2.gz AJLIJBBDRYGHDQ-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001717201946 1421169906 /nfs/dbraw/zinc/16/99/06/1421169906.db2.gz LLGBFMDKEGZCGG-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001717207515 1421178968 /nfs/dbraw/zinc/17/89/68/1421178968.db2.gz FNOCAJRJZLPIEE-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001717302654 1421244564 /nfs/dbraw/zinc/24/45/64/1421244564.db2.gz MGAISAXLJFLVDM-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+](CC)CC ZINC001717311013 1421254682 /nfs/dbraw/zinc/25/46/82/1421254682.db2.gz RPKCNJAWUNUXNX-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001717336100 1421273663 /nfs/dbraw/zinc/27/36/63/1421273663.db2.gz NORTTXVMYIFPJC-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001717337265 1421274744 /nfs/dbraw/zinc/27/47/44/1421274744.db2.gz VLJFVYHSWDNEIS-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001717341773 1421278952 /nfs/dbraw/zinc/27/89/52/1421278952.db2.gz LQGVSHBXFITQMA-SCTDSRPQSA-N 2 0 331.504 3.025 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[N@H+](C)CCC2CCCCC2)CCC1 ZINC001717367908 1421303942 /nfs/dbraw/zinc/30/39/42/1421303942.db2.gz TYLWTOFIMHLKRX-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001717424129 1421353546 /nfs/dbraw/zinc/35/35/46/1421353546.db2.gz BMZLSFWIZVLWDT-IRXDYDNUSA-N 2 0 347.547 3.309 10 0 EGAERP CCCCCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001717486637 1421423295 /nfs/dbraw/zinc/42/32/95/1421423295.db2.gz BLXQNJFMTPURFE-APWZRJJASA-N 2 0 343.531 3.216 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001717540772 1421481132 /nfs/dbraw/zinc/48/11/32/1421481132.db2.gz SDFIRRGIPKQHOL-QZTJIDSGSA-N 2 0 334.508 3.241 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717552848 1421490094 /nfs/dbraw/zinc/49/00/94/1421490094.db2.gz MPVFNUMHMNJNPU-YVACAVLKSA-N 2 0 340.471 3.049 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001717585859 1421513669 /nfs/dbraw/zinc/51/36/69/1421513669.db2.gz ZCZKAYVYGIMZRB-OAGJVSPASA-N 2 0 337.552 3.147 10 0 EGAERP CC[C@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001717632985 1421542898 /nfs/dbraw/zinc/54/28/98/1421542898.db2.gz YGXOBTNSUAOKTP-SESVDKBCSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001717650904 1421550844 /nfs/dbraw/zinc/55/08/44/1421550844.db2.gz IYZFRTWIEWSRHZ-TVFCKZIOSA-N 2 0 337.552 3.027 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001717756798 1421620071 /nfs/dbraw/zinc/62/00/71/1421620071.db2.gz IQPVHEVHEGVIPU-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001717756794 1421620213 /nfs/dbraw/zinc/62/02/13/1421620213.db2.gz IQPVHEVHEGVIPU-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001717804515 1421631084 /nfs/dbraw/zinc/63/10/84/1421631084.db2.gz FSYALOLSCKVOJC-WWAPKCSDSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001717839957 1421654949 /nfs/dbraw/zinc/65/49/49/1421654949.db2.gz DZKOFZLGRAVBJI-RXVVDRJESA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC1=CCCCC1)CC2 ZINC001717840558 1421655685 /nfs/dbraw/zinc/65/56/85/1421655685.db2.gz JMDZTHDPGMNIGJ-TZIWHRDSSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001717856271 1421668702 /nfs/dbraw/zinc/66/87/02/1421668702.db2.gz QTPVXIMQBGMLME-MSOLQXFVSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001717861475 1421674530 /nfs/dbraw/zinc/67/45/30/1421674530.db2.gz XCUOIZUMXYWFLH-APWZRJJASA-N 2 0 349.494 3.027 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001717895483 1421693219 /nfs/dbraw/zinc/69/32/19/1421693219.db2.gz MTQZZFZPIJIHCQ-KBOKABMXSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001717961413 1421733149 /nfs/dbraw/zinc/73/31/49/1421733149.db2.gz JLLGYHSMXNJIGI-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001717993073 1421761917 /nfs/dbraw/zinc/76/19/17/1421761917.db2.gz ZMSYFXWPXBUOHP-CTWPCTMYSA-N 2 0 335.536 3.020 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001733315933 1429501704 /nfs/dbraw/zinc/50/17/04/1429501704.db2.gz UALUQAALFJJPFS-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001733358793 1429541143 /nfs/dbraw/zinc/54/11/43/1429541143.db2.gz UEYWAIBJAJLPAI-SFFCAUCYSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CC2CCC(C)(C)CC2)CC1 ZINC001733359961 1429542959 /nfs/dbraw/zinc/54/29/59/1429542959.db2.gz IRAMJBABDMYUOD-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001733363925 1429549761 /nfs/dbraw/zinc/54/97/61/1429549761.db2.gz WBISPHPSGWWVCN-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001733386026 1429573326 /nfs/dbraw/zinc/57/33/26/1429573326.db2.gz ZZIQPRDKFCWIBY-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001733392350 1429582542 /nfs/dbraw/zinc/58/25/42/1429582542.db2.gz CIPWMSXHQQKULT-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001733409650 1429608843 /nfs/dbraw/zinc/60/88/43/1429608843.db2.gz BSSXNBTUHSLLKW-RXVVDRJESA-N 2 0 345.531 3.369 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCC2=CCCCC2)C1 ZINC001733411014 1429611119 /nfs/dbraw/zinc/61/11/19/1429611119.db2.gz HFODRHNOZYPJOT-FQEVSTJZSA-N 2 0 335.536 3.189 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001733448362 1429658804 /nfs/dbraw/zinc/65/88/04/1429658804.db2.gz BXFNPGHWOUJQTR-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001733449194 1429660137 /nfs/dbraw/zinc/66/01/37/1429660137.db2.gz ZZCNPGWIJZEYSN-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001733459302 1429681729 /nfs/dbraw/zinc/68/17/29/1429681729.db2.gz MFZCVETTYKRFNC-NLWGTHIKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001733463000 1429691625 /nfs/dbraw/zinc/69/16/25/1429691625.db2.gz YYZAHSGOPIDJSK-UYAOXDASSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001722916725 1424254125 /nfs/dbraw/zinc/25/41/25/1424254125.db2.gz OBQGEIJFOBWZFS-MAUKXSAKSA-N 2 0 337.483 3.054 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC(C)CC1 ZINC001723021399 1424288611 /nfs/dbraw/zinc/28/86/11/1424288611.db2.gz BNAVBFUWXJLLQM-ACBHZAAOSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001723371433 1424374476 /nfs/dbraw/zinc/37/44/76/1424374476.db2.gz MHMUIEXUWBZUPM-MOPGFXCFSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)[C@@H](CC)C1 ZINC001723388166 1424382626 /nfs/dbraw/zinc/38/26/26/1424382626.db2.gz ZHIRDKJGNAMXJJ-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001723679313 1424525778 /nfs/dbraw/zinc/52/57/78/1424525778.db2.gz KDXLRZSKOLBQGI-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCC[N@@H+]3CCC)C2)CC1 ZINC001723698845 1424536663 /nfs/dbraw/zinc/53/66/63/1424536663.db2.gz WAARLHUZGVZZNC-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCC(C)(C)C)C2)C1 ZINC001723727331 1424550662 /nfs/dbraw/zinc/55/06/62/1424550662.db2.gz RFPGLXKBSRAMBC-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001733530567 1429737271 /nfs/dbraw/zinc/73/72/71/1429737271.db2.gz AUYFQNTVMXHCOS-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001723861537 1424589700 /nfs/dbraw/zinc/58/97/00/1424589700.db2.gz PWOPRBRLWXCNOU-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001733538641 1429744632 /nfs/dbraw/zinc/74/46/32/1429744632.db2.gz YZLWAACUJPEARK-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C2CCCC2)C1 ZINC001724109153 1424669193 /nfs/dbraw/zinc/66/91/93/1424669193.db2.gz JYVYGYUAZWJMSL-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724172152 1424706677 /nfs/dbraw/zinc/70/66/77/1424706677.db2.gz ACZRWOGYROYBMK-GHTZIAJQSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724172155 1424706883 /nfs/dbraw/zinc/70/68/83/1424706883.db2.gz ACZRWOGYROYBMK-WIYYLYMNSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001724222040 1424740767 /nfs/dbraw/zinc/74/07/67/1424740767.db2.gz FCDWLFOHZBUMSO-CTNGQTDRSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724248656 1424754295 /nfs/dbraw/zinc/75/42/95/1424754295.db2.gz DZFRGZMLRQDYKM-OIDOJQHXSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001724261662 1424761734 /nfs/dbraw/zinc/76/17/34/1424761734.db2.gz GXXBMHWGANEDOQ-FQEVSTJZSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCCC1)C2 ZINC001724505608 1424881326 /nfs/dbraw/zinc/88/13/26/1424881326.db2.gz IGMCQMZRMSOVKL-ZCNNSNEGSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001724602572 1424934815 /nfs/dbraw/zinc/93/48/15/1424934815.db2.gz WQZCJOHEHZAMBW-ACDBMABISA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745896 1425114805 /nfs/dbraw/zinc/11/48/05/1425114805.db2.gz UIDNFZGNGSPCPL-QPZHNVQWSA-N 2 0 349.906 3.046 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)CC1 ZINC001724759891 1425131161 /nfs/dbraw/zinc/13/11/61/1425131161.db2.gz SAKCIEHTFPRUPK-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001725052876 1425486233 /nfs/dbraw/zinc/48/62/33/1425486233.db2.gz INKBUPZDZHKWIM-QUCCMNQESA-N 2 0 345.531 3.402 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001725054977 1425490225 /nfs/dbraw/zinc/49/02/25/1425490225.db2.gz CMLBUVVEUOGPIW-FQEVSTJZSA-N 2 0 349.563 3.245 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001725099057 1425543628 /nfs/dbraw/zinc/54/36/28/1425543628.db2.gz JQXLADOZMWJRBJ-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001725137509 1425612998 /nfs/dbraw/zinc/61/29/98/1425612998.db2.gz SUFUVBXASFLTLH-SOAGJPPSSA-N 2 0 349.563 3.266 10 0 EGAERP CN(CC(C)(C)C[NH2+]Cc1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001725149764 1425633869 /nfs/dbraw/zinc/63/38/69/1425633869.db2.gz UWSMEUJOSGXMLY-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001725150236 1425634426 /nfs/dbraw/zinc/63/44/26/1425634426.db2.gz SFXBPAZXDDJGPA-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1=CCCCC1 ZINC001725215355 1425779363 /nfs/dbraw/zinc/77/93/63/1425779363.db2.gz XXCGDDCTPNRQJT-MISYRCLQSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C23CC[NH+](CC2)C3)CCCCC1 ZINC001725229760 1425801363 /nfs/dbraw/zinc/80/13/63/1425801363.db2.gz PLHUPFNVGDKHMH-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@H]2C1 ZINC001725333009 1425977012 /nfs/dbraw/zinc/97/70/12/1425977012.db2.gz HLJOEBBAHNXABV-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001725340778 1425989979 /nfs/dbraw/zinc/98/99/79/1425989979.db2.gz ZBDMXCCRWCSYEZ-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001725366905 1426017174 /nfs/dbraw/zinc/01/71/74/1426017174.db2.gz MIQQPCWXRAXQIK-VJANTYMQSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccsc1)CC2 ZINC001725622920 1426289088 /nfs/dbraw/zinc/28/90/88/1426289088.db2.gz IGDWRQOHCCAMBF-HKUYNNGSSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001725749313 1426427485 /nfs/dbraw/zinc/42/74/85/1426427485.db2.gz ZQBMRBXUYVICDQ-MSOLQXFVSA-N 2 0 337.552 3.194 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c1 ZINC001725758611 1426438216 /nfs/dbraw/zinc/43/82/16/1426438216.db2.gz VAZLCZUACCGGFH-HKUYNNGSSA-N 2 0 345.531 3.272 10 0 EGAERP CC[C@@H]([NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001725790288 1426475735 /nfs/dbraw/zinc/47/57/35/1426475735.db2.gz SHEHSHMQWVTFNT-CTWPCTMYSA-N 2 0 331.504 3.057 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)CC2)CC1 ZINC001725794205 1426479385 /nfs/dbraw/zinc/47/93/85/1426479385.db2.gz KPHQSSOPOANHER-IBMJZYDUSA-N 2 0 347.547 3.044 10 0 EGAERP CCC[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CCCCC3)CC2)CC1 ZINC001725795206 1426480418 /nfs/dbraw/zinc/48/04/18/1426480418.db2.gz TZYXASPZTRHMLD-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NCC1=CC[N@H+](Cc2ccsc2)CC1)[NH+](CC)CC ZINC001725824042 1426498835 /nfs/dbraw/zinc/49/88/35/1426498835.db2.gz OJZHAUJQILZVQG-SFHVURJKSA-N 2 0 349.544 3.117 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001725829167 1426506348 /nfs/dbraw/zinc/50/63/48/1426506348.db2.gz IDTZJEFZUCRNBZ-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCCC(C)(C)C ZINC001731311314 1427252346 /nfs/dbraw/zinc/25/23/46/1427252346.db2.gz ROXSJVJWYPPLHZ-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCC(C)(C)CC1)C1CC1 ZINC001731329499 1427268231 /nfs/dbraw/zinc/26/82/31/1427268231.db2.gz LDVFOWPHACSICC-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001731350142 1427288786 /nfs/dbraw/zinc/28/87/86/1427288786.db2.gz ADJROSCNFASQRZ-UHFFFAOYSA-N 2 0 345.531 3.066 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001731385877 1427330543 /nfs/dbraw/zinc/33/05/43/1427330543.db2.gz OMKUQVRKKWDBJZ-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731434787 1427415663 /nfs/dbraw/zinc/41/56/63/1427415663.db2.gz BHDUVIILAAMHTI-FNYRVFDFSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731504869 1427488837 /nfs/dbraw/zinc/48/88/37/1427488837.db2.gz XYQLJKPMIBPQKO-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCC1 ZINC001731543384 1427557064 /nfs/dbraw/zinc/55/70/64/1427557064.db2.gz WYPDWQXFCHIUEQ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560365 1427595033 /nfs/dbraw/zinc/59/50/33/1427595033.db2.gz VXKMYPNNKOXPQM-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC001731641270 1427700750 /nfs/dbraw/zinc/70/07/50/1427700750.db2.gz UEFGOEIYOPKGNZ-DLBZAZTESA-N 2 0 341.499 3.335 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731705645 1427758623 /nfs/dbraw/zinc/75/86/23/1427758623.db2.gz WNTDUXHMTDDLHB-OALUTQOASA-N 2 0 335.536 3.236 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001731761821 1427866509 /nfs/dbraw/zinc/86/65/09/1427866509.db2.gz ZBXRTNSVDPKKQE-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001731789800 1427929247 /nfs/dbraw/zinc/92/92/47/1427929247.db2.gz SGODKXXFCDRWRF-IBGZPJMESA-N 2 0 345.531 3.144 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)c1cccc(F)c1 ZINC001731808785 1427985299 /nfs/dbraw/zinc/98/52/99/1427985299.db2.gz NLIKEKROXZHLGK-INIZCTEOSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001731884650 1428158197 /nfs/dbraw/zinc/15/81/97/1428158197.db2.gz ZMQCTYVLTKQQTJ-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001731994608 1428203225 /nfs/dbraw/zinc/20/32/25/1428203225.db2.gz AZUWRYVCAQPCHI-CWHLKURSSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@H](CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733662535 1429855122 /nfs/dbraw/zinc/85/51/22/1429855122.db2.gz PQDLFHMCEBAOHG-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677618 1429876119 /nfs/dbraw/zinc/87/61/19/1429876119.db2.gz RYOBAASKQVKMTE-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001733684911 1429900150 /nfs/dbraw/zinc/90/01/50/1429900150.db2.gz QMMPVHNEVNIWLT-ZWKOTPCHSA-N 2 0 345.531 3.341 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCCC2)CC1 ZINC001733691638 1429908803 /nfs/dbraw/zinc/90/88/03/1429908803.db2.gz LKBJRDIJKNTQMJ-MXVIHJGJSA-N 2 0 349.563 3.317 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001733851058 1437686922 /nfs/dbraw/zinc/68/69/22/1437686922.db2.gz DEEYHXLUNHAVTK-IHVSBYRNSA-N 2 0 337.552 3.147 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733929794 1437742788 /nfs/dbraw/zinc/74/27/88/1437742788.db2.gz KBQHCWKVVOOBQY-HMTUNPETSA-N 2 0 335.536 3.138 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733938007 1437752983 /nfs/dbraw/zinc/75/29/83/1437752983.db2.gz SOWDBXRRJDVZAY-PXNSSMCTSA-N 2 0 345.531 3.331 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001733996446 1437790237 /nfs/dbraw/zinc/79/02/37/1437790237.db2.gz UPHQYOOVDQGOLP-IAGOWNOFSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001734050173 1437839605 /nfs/dbraw/zinc/83/96/05/1437839605.db2.gz ZTPGTUMSUNHGGI-SJORKVTESA-N 2 0 341.499 3.289 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001734088702 1437873469 /nfs/dbraw/zinc/87/34/69/1437873469.db2.gz RLAKJRUITCWTTI-SFHVURJKSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734105512 1437891578 /nfs/dbraw/zinc/89/15/78/1437891578.db2.gz DCDWAQVOPGEDRW-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734118065 1437899966 /nfs/dbraw/zinc/89/99/66/1437899966.db2.gz AWMVZXFNAIITGJ-MJRGOJFPSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001734130104 1437906877 /nfs/dbraw/zinc/90/68/77/1437906877.db2.gz IDYSWOHNRHSJET-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308208 1438039902 /nfs/dbraw/zinc/03/99/02/1438039902.db2.gz HKQHAFMRIQLBGZ-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001734331367 1438054779 /nfs/dbraw/zinc/05/47/79/1438054779.db2.gz MONZBTYISOQCFX-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001734357640 1438074437 /nfs/dbraw/zinc/07/44/37/1438074437.db2.gz SHEGJNUPSXXWEZ-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001734427610 1438092546 /nfs/dbraw/zinc/09/25/46/1438092546.db2.gz JATTWDRMXATDEU-QUCCMNQESA-N 2 0 343.515 3.032 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001734447540 1438107881 /nfs/dbraw/zinc/10/78/81/1438107881.db2.gz ZQQRXJQMHXPETP-ZVDOUQERSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494739 1438131867 /nfs/dbraw/zinc/13/18/67/1438131867.db2.gz BXYPTLZICAXDFY-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001734496008 1438132561 /nfs/dbraw/zinc/13/25/61/1438132561.db2.gz NGTMTWJGXGPVRN-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001734625494 1438190957 /nfs/dbraw/zinc/19/09/57/1438190957.db2.gz ISOZDEMBUAPUHF-WAYWQWQTSA-N 2 0 347.547 3.356 10 0 EGAERP CC[N@H+](CCOC)CC[C@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053941332 214206390 /nfs/dbraw/zinc/20/63/90/214206390.db2.gz MSWJFTMXEQEOOM-HNNXBMFYSA-N 2 0 329.282 3.068 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180142450 233757626 /nfs/dbraw/zinc/75/76/26/233757626.db2.gz KUEWHEXDQKXDHB-LJQANCHMSA-N 2 0 335.923 3.407 10 0 EGAERP C[C@H]([NH2+]CCCc1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000181491259 234204342 /nfs/dbraw/zinc/20/43/42/234204342.db2.gz RNXPZVAZMGXYJB-KRWDZBQOSA-N 2 0 327.472 3.305 10 0 EGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000131210308 223213374 /nfs/dbraw/zinc/21/33/74/223213374.db2.gz QBIWRAKVNFYKMR-NHCUHLMSSA-N 2 0 329.532 3.186 10 0 EGAERP c1nc(C2CC2)ncc1CC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000328586911 258046560 /nfs/dbraw/zinc/04/65/60/258046560.db2.gz GXHRCQJBZGXSJE-UHFFFAOYSA-N 2 0 328.504 3.283 10 0 EGAERP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000353438719 141295520 /nfs/dbraw/zinc/29/55/20/141295520.db2.gz VEQSYVGVGSCSJY-HMXCVIKNSA-N 2 0 338.499 3.452 10 0 EGAERP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000353461595 141302004 /nfs/dbraw/zinc/30/20/04/141302004.db2.gz MLHSYYADBNYZKM-KZNAEPCWSA-N 2 0 332.488 3.446 10 0 EGAERP Cc1ccc2[nH+]ccc(NCC3([NH+]4CCCC4)CCOCC3)c2c1 ZINC000354578407 141308972 /nfs/dbraw/zinc/30/89/72/141308972.db2.gz NMUWVWXMPJERDR-UHFFFAOYSA-N 2 0 325.456 3.022 10 0 EGAERP CN1CC[NH+]([C@H]2CCCCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000174891247 144054070 /nfs/dbraw/zinc/05/40/70/144054070.db2.gz VUISVGHORGBIOX-HNNXBMFYSA-N 2 0 339.886 3.081 10 0 EGAERP C[NH+](C)CC[C@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C(C)(C)C ZINC000116231720 152049717 /nfs/dbraw/zinc/04/97/17/152049717.db2.gz IZIHIFOKZFDJDW-IBGZPJMESA-N 2 0 345.531 3.379 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccoc1 ZINC000177884842 152975525 /nfs/dbraw/zinc/97/55/25/152975525.db2.gz QHUMYWBDDOBKHX-JXFKEZNVSA-N 2 0 328.456 3.376 10 0 EGAERP COc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)ccc1C ZINC000194341805 153332557 /nfs/dbraw/zinc/33/25/57/153332557.db2.gz RKVDZCICRBAXLJ-UHFFFAOYSA-N 2 0 345.531 3.044 10 0 EGAERP COc1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)ccc1O ZINC000194392465 153334326 /nfs/dbraw/zinc/33/43/26/153334326.db2.gz JDRCFTUBUJZIGI-UHFFFAOYSA-N 2 0 340.467 3.403 10 0 EGAERP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000336876257 154226143 /nfs/dbraw/zinc/22/61/43/154226143.db2.gz BXVOCSUFYJHWBI-FGTMMUONSA-N 2 0 326.488 3.327 10 0 EGAERP O[C@@H](Cc1cccc(Cl)c1)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000346832764 156157254 /nfs/dbraw/zinc/15/72/54/156157254.db2.gz VYUXWGKWYBJSKH-IBGZPJMESA-N 2 0 336.907 3.051 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000346860171 156166533 /nfs/dbraw/zinc/16/65/33/156166533.db2.gz IXHPDLQTZRHOPN-KRWDZBQOSA-N 2 0 345.531 3.455 10 0 EGAERP CC(C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(F)c1 ZINC000248439380 163005622 /nfs/dbraw/zinc/00/56/22/163005622.db2.gz IQOUCWUAHQKQIF-LPHOPBHVSA-N 2 0 340.458 3.488 10 0 EGAERP c1nc(-c2ccccn2)sc1CNC1CC[NH+](C2CCC2)CC1 ZINC000343744713 164024027 /nfs/dbraw/zinc/02/40/27/164024027.db2.gz YMRSDZBIZRDLFA-UHFFFAOYSA-N 2 0 328.485 3.312 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344599332 164196993 /nfs/dbraw/zinc/19/69/93/164196993.db2.gz DVAPFINDMOUBJE-AEFFLSMTSA-N 2 0 331.504 3.106 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344599333 164197102 /nfs/dbraw/zinc/19/71/02/164197102.db2.gz DVAPFINDMOUBJE-FUHWJXTLSA-N 2 0 331.504 3.106 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000350177242 165016265 /nfs/dbraw/zinc/01/62/65/165016265.db2.gz QINBYSBRISVXLU-UHFFFAOYSA-N 2 0 327.476 3.026 10 0 EGAERP C[C@@H]1C[C@@H](C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350317716 165030205 /nfs/dbraw/zinc/03/02/05/165030205.db2.gz MWQFTHAERNJUAZ-MJGOQNOKSA-N 2 0 331.504 3.435 10 0 EGAERP c1ccc(C[N@@H+]2CCC[C@H](NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000355610847 166260617 /nfs/dbraw/zinc/26/06/17/166260617.db2.gz RPINFDOJYJWRIA-MWXLCCTBSA-N 2 0 327.516 3.258 10 0 EGAERP CC[C@H](C)[NH2+][C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566551 167194862 /nfs/dbraw/zinc/19/48/62/167194862.db2.gz WAXVDHWHOYAIDN-GVDBMIGSSA-N 2 0 335.492 3.090 10 0 EGAERP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000175197242 265101041 /nfs/dbraw/zinc/10/10/41/265101041.db2.gz GTBAZNADMALTOE-KRWDZBQOSA-N 2 0 329.488 3.485 10 0 EGAERP C[NH+](C)C1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000278707945 275267299 /nfs/dbraw/zinc/26/72/99/275267299.db2.gz LJZFUGSILMDXAL-ACDBMABISA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000278743044 275270665 /nfs/dbraw/zinc/27/06/65/275270665.db2.gz JSQOTFXACSHLIX-KRWDZBQOSA-N 2 0 346.515 3.220 10 0 EGAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262147195 276110304 /nfs/dbraw/zinc/11/03/04/276110304.db2.gz LBULNGSCOGPPQW-ZCNNSNEGSA-N 2 0 343.515 3.065 10 0 EGAERP CC[NH+](CC)CCCN[C@H]1CC[N@H+](C2CC2)[C@H]1c1cccc(OC)c1 ZINC000338637746 279100617 /nfs/dbraw/zinc/10/06/17/279100617.db2.gz OWWSACUZQIPPAU-SFTDATJTSA-N 2 0 345.531 3.295 10 0 EGAERP Cn1ccnc1[C@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(F)c1 ZINC000353451558 289065660 /nfs/dbraw/zinc/06/56/60/289065660.db2.gz ALUZAQKJNQBTNJ-DAWZGUTISA-N 2 0 330.451 3.111 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCC[C@H]1C1CC1 ZINC000344001145 289119125 /nfs/dbraw/zinc/11/91/25/289119125.db2.gz WRPUMRIIOIXBSS-OALUTQOASA-N 2 0 331.504 3.471 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H]2CCC[C@H]21 ZINC000367519353 290216618 /nfs/dbraw/zinc/21/66/18/290216618.db2.gz NVQDLRJTLVEQHX-SLFFLAALSA-N 2 0 346.490 3.336 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@@H]2CCC[C@@H]21 ZINC000367616056 290219988 /nfs/dbraw/zinc/21/99/88/290219988.db2.gz NDVUILIIBSPADU-YRPNKDGESA-N 2 0 330.516 3.251 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2C[C@H](C)O[C@@H](C)C2)CC1 ZINC000128728054 307604643 /nfs/dbraw/zinc/60/46/43/307604643.db2.gz NNCSHXHGERHLCA-ROUUACIJSA-N 2 0 345.531 3.264 10 0 EGAERP COCCOc1ccc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000414183156 309065508 /nfs/dbraw/zinc/06/55/08/309065508.db2.gz NFWJBAWBSZRDTG-OAHLLOKOSA-N 2 0 325.412 3.210 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000414304972 309071842 /nfs/dbraw/zinc/07/18/42/309071842.db2.gz MUUSUOQBZVLXGQ-QGZVFWFLSA-N 2 0 348.556 3.135 10 0 EGAERP Cc1cncc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414314293 309072272 /nfs/dbraw/zinc/07/22/72/309072272.db2.gz ZPCACENUBAVLFD-GOSISDBHSA-N 2 0 339.483 3.068 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000293696351 308153665 /nfs/dbraw/zinc/15/36/65/308153665.db2.gz CHDAIMHXLOQWEQ-OCCSQVGLSA-N 2 0 326.282 3.006 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414555096 309088807 /nfs/dbraw/zinc/08/88/07/309088807.db2.gz LYNXEIUVTWXXFI-SJLPKXTDSA-N 2 0 340.552 3.043 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)[C@H]2CCCOC2)CC1 ZINC000414555099 309088853 /nfs/dbraw/zinc/08/88/53/309088853.db2.gz LYNXEIUVTWXXFI-WMZOPIPTSA-N 2 0 340.552 3.043 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)cs1 ZINC000294784698 308256782 /nfs/dbraw/zinc/25/67/82/308256782.db2.gz NWRCJVRGZNQAHP-UHFFFAOYSA-N 2 0 330.497 3.303 10 0 EGAERP Cc1cccnc1CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296364033 308419759 /nfs/dbraw/zinc/41/97/59/308419759.db2.gz IWNVPGSIVCVTTR-KRWDZBQOSA-N 2 0 327.472 3.224 10 0 EGAERP COc1cc2c(c(C[NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)c1)O[C@@H](C)C2 ZINC000414813240 309103260 /nfs/dbraw/zinc/10/32/60/309103260.db2.gz SYDKNFKTEWNQMJ-UONOGXRCSA-N 2 0 326.440 3.328 10 0 EGAERP C[C@@H]1CCC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000397554267 308904534 /nfs/dbraw/zinc/90/45/34/308904534.db2.gz JYXWIQBNSFVULD-GGPKGHCWSA-N 2 0 330.516 3.428 10 0 EGAERP Cc1nc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000397650809 308904691 /nfs/dbraw/zinc/90/46/91/308904691.db2.gz WSTGHSYWBCXQMX-HNNXBMFYSA-N 2 0 345.512 3.129 10 0 EGAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000414862243 309106210 /nfs/dbraw/zinc/10/62/10/309106210.db2.gz VICXGDKINHQCSH-OAHLLOKOSA-N 2 0 333.476 3.054 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000414948468 309110677 /nfs/dbraw/zinc/11/06/77/309110677.db2.gz YLQBMRVHARSGNX-JXFKEZNVSA-N 2 0 347.466 3.022 10 0 EGAERP FC(F)(F)c1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415055823 309117037 /nfs/dbraw/zinc/11/70/37/309117037.db2.gz OYDVYCNSDXWCIF-UHFFFAOYSA-N 2 0 341.421 3.011 10 0 EGAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119523 309121513 /nfs/dbraw/zinc/12/15/13/309121513.db2.gz FPKJAJBNVCECCZ-CTNGQTDRSA-N 2 0 344.499 3.194 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@H]3C[C@H]([NH3+])CCO3)CC2)cc1C ZINC000415129547 309122523 /nfs/dbraw/zinc/12/25/23/309122523.db2.gz UXVBGAYGAHWCSV-RTBURBONSA-N 2 0 332.488 3.030 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000415953979 309151084 /nfs/dbraw/zinc/15/10/84/309151084.db2.gz LRBMIUGBHOYAIX-BRWVUGGUSA-N 2 0 346.519 3.284 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420394420 309286036 /nfs/dbraw/zinc/28/60/36/309286036.db2.gz KMDKNLCBOXIWKU-CABCVRRESA-N 2 0 346.500 3.195 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422811827 309369837 /nfs/dbraw/zinc/36/98/37/309369837.db2.gz POVQUSMJZPTGBI-SOUVJXGZSA-N 2 0 340.414 3.307 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422871925 309373093 /nfs/dbraw/zinc/37/30/93/309373093.db2.gz DXKLWOUAZVJTCN-SQNIBIBYSA-N 2 0 331.504 3.174 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(Br)cc1 ZINC000422882030 309373865 /nfs/dbraw/zinc/37/38/65/309373865.db2.gz OVJUSDYCPLGGFH-HNNXBMFYSA-N 2 0 343.309 3.070 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000422893888 309374554 /nfs/dbraw/zinc/37/45/54/309374554.db2.gz BEZWHGYCCNJAQZ-MJGOQNOKSA-N 3 0 333.520 3.027 10 0 EGAERP CC[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]1 ZINC000422907523 309375607 /nfs/dbraw/zinc/37/56/07/309375607.db2.gz LLWCPRGRUZKLTC-VKQJQLINSA-N 2 0 327.516 3.302 10 0 EGAERP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)c1c[nH+]ccc1N ZINC000422913325 309376068 /nfs/dbraw/zinc/37/60/68/309376068.db2.gz YGOLVWSAEXEDTE-UXDRXVOSSA-N 2 0 336.483 3.340 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOC1CCCCC1 ZINC000422935432 309376907 /nfs/dbraw/zinc/37/69/07/309376907.db2.gz AKCPKDFKCIRWPL-AZUAARDMSA-N 2 0 330.472 3.181 10 0 EGAERP C[C@H]([NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423004695 309380490 /nfs/dbraw/zinc/38/04/90/309380490.db2.gz PTHKGPNQVJBWDY-LNLFQRSKSA-N 2 0 338.499 3.445 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423009759 309380838 /nfs/dbraw/zinc/38/08/38/309380838.db2.gz DTKHWAYZDBJMJT-OAUYIBNBSA-N 2 0 327.875 3.331 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423424260 309399937 /nfs/dbraw/zinc/39/99/37/309399937.db2.gz MWMNNAWYOHDYDK-KKUMJFAQSA-N 2 0 347.894 3.336 10 0 EGAERP C[C@@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423462933 309401156 /nfs/dbraw/zinc/40/11/56/309401156.db2.gz UUVHAHAQTHXRMH-SMDDNHRTSA-N 2 0 327.266 3.380 10 0 EGAERP C[NH+](C)CC1CCC(NC(=O)CC[C@H]([NH3+])CC2CCCCC2)CC1 ZINC000424191973 309432490 /nfs/dbraw/zinc/43/24/90/309432490.db2.gz OICUHRYXSMRALJ-XBMUEBEBSA-N 2 0 337.552 3.301 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000425361456 309476231 /nfs/dbraw/zinc/47/62/31/309476231.db2.gz SGEHAEIGKNHVQP-VVWQDTPRSA-N 2 0 334.529 3.279 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@H](O)COCC2CC2)CC1 ZINC000449116924 310038318 /nfs/dbraw/zinc/03/83/18/310038318.db2.gz MVJKAGQSDXKIQK-SFHVURJKSA-N 2 0 340.552 3.043 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(O)CCCCC2)CC1 ZINC000449117370 310038393 /nfs/dbraw/zinc/03/83/93/310038393.db2.gz UIMUJTCDORHCCI-GOSISDBHSA-N 2 0 330.516 3.367 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1 ZINC000449123532 310038837 /nfs/dbraw/zinc/03/88/37/310038837.db2.gz NKDBDBNVUOQBLT-UHFFFAOYSA-N 2 0 339.439 3.448 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000449189070 310043307 /nfs/dbraw/zinc/04/33/07/310043307.db2.gz ORCUNVGAVDINRU-MSOLQXFVSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNc2ccccn2)CC1 ZINC000449223855 310045720 /nfs/dbraw/zinc/04/57/20/310045720.db2.gz KRCZZOXRAFSIHN-SFHVURJKSA-N 2 0 338.499 3.179 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000449685861 310080813 /nfs/dbraw/zinc/08/08/13/310080813.db2.gz UNJIDZUBBNGOSK-LJQANCHMSA-N 2 0 345.531 3.125 10 0 EGAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453360943 310272936 /nfs/dbraw/zinc/27/29/36/310272936.db2.gz UCYMSUSUIPXXJR-OTNPHJDUSA-N 2 0 338.499 3.136 10 0 EGAERP Cc1cnc(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)cn1 ZINC000453399810 310275005 /nfs/dbraw/zinc/27/50/05/310275005.db2.gz LNZYJCYQRWRRQF-GOSISDBHSA-N 2 0 338.499 3.013 10 0 EGAERP Cc1cnc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)cn1 ZINC000453399811 310275079 /nfs/dbraw/zinc/27/50/79/310275079.db2.gz LNZYJCYQRWRRQF-SFHVURJKSA-N 2 0 338.499 3.013 10 0 EGAERP COCCSCCC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000487881953 311041266 /nfs/dbraw/zinc/04/12/66/311041266.db2.gz PKDDHIWMSIUTMP-GOSISDBHSA-N 2 0 328.566 3.344 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CSC2(C)C)CC1 ZINC000549263184 315084299 /nfs/dbraw/zinc/08/42/99/315084299.db2.gz HXBMVHFRQMPIIE-SFHVURJKSA-N 2 0 333.545 3.202 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cn2ccccc2n1 ZINC000551269816 315147342 /nfs/dbraw/zinc/14/73/42/315147342.db2.gz FNIGNNQEUCDAGZ-INIZCTEOSA-N 2 0 338.455 3.126 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000552054249 315193791 /nfs/dbraw/zinc/19/37/91/315193791.db2.gz PVCCZYXVVVYAOS-ZIBCJSCZSA-N 2 0 327.516 3.365 10 0 EGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@H]2CC[C@H]2C(C)(C)C)CC1 ZINC000554045554 315295164 /nfs/dbraw/zinc/29/51/64/315295164.db2.gz NPWWISPZVOJNLO-SJORKVTESA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]C[C@@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000563881918 316084645 /nfs/dbraw/zinc/08/46/45/316084645.db2.gz SPKJYSJUHCELHN-IVXJCAOYSA-N 2 0 340.511 3.453 10 0 EGAERP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)CC(F)(F)F ZINC000564846387 316216696 /nfs/dbraw/zinc/21/66/96/316216696.db2.gz MRRCPQVGMKOZOX-INIZCTEOSA-N 2 0 330.394 3.075 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566482154 316484881 /nfs/dbraw/zinc/48/48/81/316484881.db2.gz MMFBYRKSFZVOCM-QXGSTGNESA-N 2 0 337.458 3.348 10 0 EGAERP Cc1cnn(CC[N@@H+](C)C[C@@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000571647084 317227682 /nfs/dbraw/zinc/22/76/82/317227682.db2.gz YOTVVWFKMZLHRD-KRWDZBQOSA-N 2 0 332.517 3.015 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000398182567 324296396 /nfs/dbraw/zinc/29/63/96/324296396.db2.gz XIVXLCTXTCYHAD-APWZRJJASA-N 2 0 338.451 3.416 10 0 EGAERP CC(C)C[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cccs1 ZINC000576984172 324719992 /nfs/dbraw/zinc/71/99/92/324719992.db2.gz NHGGFAXPUCRCGD-QGZVFWFLSA-N 2 0 349.544 3.168 10 0 EGAERP C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579699577 325146447 /nfs/dbraw/zinc/14/64/47/325146447.db2.gz VHCPDDPHNCDGAO-TYPHKJRUSA-N 2 0 329.532 3.266 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)CC1(C)C ZINC000623470279 460565666 /nfs/dbraw/zinc/56/56/66/460565666.db2.gz HGOUHPAQXCNIOF-LJQANCHMSA-N 2 0 346.515 3.345 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809179 460568729 /nfs/dbraw/zinc/56/87/29/460568729.db2.gz MHLZSOXWOHHQJW-YJBOKZPZSA-N 2 0 328.460 3.009 10 0 EGAERP [NH3+][C@H]1CCCCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000631833705 460576209 /nfs/dbraw/zinc/57/62/09/460576209.db2.gz GRAGHHIGEQBBIA-IBGZPJMESA-N 2 0 329.488 3.016 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1(C)C ZINC000623510700 460589371 /nfs/dbraw/zinc/58/93/71/460589371.db2.gz HJYGGVMBROYOCK-FHERZECASA-N 2 0 347.469 3.254 10 0 EGAERP CCC1CCC([N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C2CC2)CC1 ZINC000066962062 453890762 /nfs/dbraw/zinc/89/07/62/453890762.db2.gz FAAHSLIDDROVPG-UHFFFAOYSA-N 2 0 347.547 3.163 10 0 EGAERP Cc1nccn1CC[C@@H]1CCCC[N@@H+]1Cc1cccc(CC[NH3+])c1 ZINC000077394038 454102034 /nfs/dbraw/zinc/10/20/34/454102034.db2.gz SCEQJGHIHWWBGQ-FQEVSTJZSA-N 2 0 326.488 3.138 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@H]2[C@@H]2CCC[N@@H+]2CC)o1 ZINC000069668210 454131820 /nfs/dbraw/zinc/13/18/20/454131820.db2.gz VRLUEJMYORVAPX-ROUUACIJSA-N 2 0 347.503 3.210 10 0 EGAERP C[C@@H](CCc1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000069777288 454143345 /nfs/dbraw/zinc/14/33/45/454143345.db2.gz FZLQPGIORUSOGN-FPOVZHCZSA-N 2 0 329.532 3.110 10 0 EGAERP Cc1cccc2c1C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CO2 ZINC000623607497 460636715 /nfs/dbraw/zinc/63/67/15/460636715.db2.gz HUNZNHLBHSLNRU-GOSISDBHSA-N 2 0 340.467 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@H](C)C1 ZINC000079555440 454438086 /nfs/dbraw/zinc/43/80/86/454438086.db2.gz SKUMMXNLLISDOO-MISYRCLQSA-N 2 0 343.515 3.030 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000121646959 454461581 /nfs/dbraw/zinc/46/15/81/454461581.db2.gz WSJKHYNFAQMIKB-SFHVURJKSA-N 3 0 347.547 3.400 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000048308673 454472125 /nfs/dbraw/zinc/47/21/25/454472125.db2.gz IHCDQQFVRCVTQF-HXUWFJFHSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000123043754 454596181 /nfs/dbraw/zinc/59/61/81/454596181.db2.gz BGTKUPRACGUQDI-INIZCTEOSA-N 2 0 341.499 3.498 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C[C@@H](C)C[NH+]1CCCC1)CC3 ZINC000123112608 454604402 /nfs/dbraw/zinc/60/44/02/454604402.db2.gz FBERTKIUFGLSGX-CVEARBPZSA-N 2 0 341.499 3.355 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092746221 454623629 /nfs/dbraw/zinc/62/36/29/454623629.db2.gz ZGZLASLRUFPHDI-CQSZACIVSA-N 2 0 339.549 3.413 10 0 EGAERP CCc1ccc(CN2CC[NH+](CCCCn3ccnc3C)CC2)s1 ZINC000124252270 454709587 /nfs/dbraw/zinc/70/95/87/454709587.db2.gz ZTXITEIUENDEHH-UHFFFAOYSA-N 2 0 346.544 3.413 10 0 EGAERP CC[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cccc(OC)c1 ZINC000124356800 454722687 /nfs/dbraw/zinc/72/26/87/454722687.db2.gz JEKVKLTXFCTSLS-HXUWFJFHSA-N 2 0 333.520 3.010 10 0 EGAERP CCC[C@@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000162370776 454770577 /nfs/dbraw/zinc/77/05/77/454770577.db2.gz OVSKHBACKXAWAN-PMACEKPBSA-N 2 0 345.531 3.087 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000176983170 454807977 /nfs/dbraw/zinc/80/79/77/454807977.db2.gz LFLAOFQDLNXPNZ-OAHLLOKOSA-N 2 0 343.471 3.051 10 0 EGAERP C[NH+](C)C[C@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086269 454933571 /nfs/dbraw/zinc/93/35/71/454933571.db2.gz CGXWEKWSZFSNIW-ICSRJNTNSA-N 2 0 343.515 3.060 10 0 EGAERP C[NH+](C)C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086281 454933609 /nfs/dbraw/zinc/93/36/09/454933609.db2.gz CGXWEKWSZFSNIW-AZUAARDMSA-N 2 0 343.515 3.060 10 0 EGAERP CCc1nccn1[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C2CCCCC2)C1 ZINC000155231323 454977334 /nfs/dbraw/zinc/97/73/34/454977334.db2.gz ICJPKPVXYFJWPW-FUHWJXTLSA-N 2 0 346.519 3.262 10 0 EGAERP c1[nH]nc2c1C[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000180163898 455142749 /nfs/dbraw/zinc/14/27/49/455142749.db2.gz ILMNVQGEISXKTN-XUBOLADHSA-N 2 0 336.483 3.052 10 0 EGAERP c1c(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc2ccccn12 ZINC000264015047 455183339 /nfs/dbraw/zinc/18/33/39/455183339.db2.gz GZVDCZPUDGKJBI-SFHVURJKSA-N 2 0 326.488 3.422 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)c1c[nH+]ccc1N(C)C)c1ccsc1 ZINC000183512705 455302068 /nfs/dbraw/zinc/30/20/68/455302068.db2.gz YVCJXKHUYYNLMC-KRWDZBQOSA-N 2 0 346.500 3.022 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245445218 455303525 /nfs/dbraw/zinc/30/35/25/455303525.db2.gz YRGPWSKTVAFRLC-WMLDXEAASA-N 2 0 337.895 3.331 10 0 EGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1F ZINC000174252503 455373936 /nfs/dbraw/zinc/37/39/36/455373936.db2.gz DTDIRUHHWLTXOU-KRWDZBQOSA-N 2 0 333.495 3.427 10 0 EGAERP c1ccc(COCCC[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1 ZINC000182402448 455506548 /nfs/dbraw/zinc/50/65/48/455506548.db2.gz KMJHZADFDYUOIG-LJQANCHMSA-N 2 0 325.456 3.422 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000247132893 455563990 /nfs/dbraw/zinc/56/39/90/455563990.db2.gz ATPNGKRSWNQNQJ-PIKADFDJSA-N 2 0 332.488 3.091 10 0 EGAERP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247182569 455569953 /nfs/dbraw/zinc/56/99/53/455569953.db2.gz USYIKPPQSBMNSB-LIRRHRJNSA-N 2 0 340.458 3.441 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3cccc(Cl)c3)CC[C@H]21 ZINC000248050863 455674418 /nfs/dbraw/zinc/67/44/18/455674418.db2.gz WHKSMGGALAUVLN-WMLDXEAASA-N 2 0 335.879 3.085 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000268890298 455720881 /nfs/dbraw/zinc/72/08/81/455720881.db2.gz ACPPJINORRMKGF-KBAYOESNSA-N 2 0 336.570 3.335 10 0 EGAERP C[C@@H](CCO)C1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCC1 ZINC000271818874 455773098 /nfs/dbraw/zinc/77/30/98/455773098.db2.gz BWUMGRUERUEBSC-IBGZPJMESA-N 2 0 344.543 3.472 10 0 EGAERP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000249752737 455773122 /nfs/dbraw/zinc/77/31/22/455773122.db2.gz RZWZGUJELPGGSL-KZNAEPCWSA-N 2 0 343.515 3.160 10 0 EGAERP CC(C)n1ncc2cc(C[N@@H+]3C[C@@H](C[NH3+])[C@H](c4ccccc4)C3)cnc21 ZINC000261660768 455923448 /nfs/dbraw/zinc/92/34/48/455923448.db2.gz IEPIYKUKTXYKEV-UXHICEINSA-N 2 0 349.482 3.187 10 0 EGAERP [NH3+]C[C@@H]1C[N@H+](CCOc2cccc(Cl)c2)C[C@H]1c1ccccc1 ZINC000261713501 455933792 /nfs/dbraw/zinc/93/37/92/455933792.db2.gz KOVCYDAIWYKGST-APWZRJJASA-N 2 0 330.859 3.393 10 0 EGAERP Cc1nccn1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272436167 455951196 /nfs/dbraw/zinc/95/11/96/455951196.db2.gz RPMDJPYQMJHTCO-WKCHPHFGSA-N 2 0 338.499 3.367 10 0 EGAERP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)c1 ZINC000261946666 455976033 /nfs/dbraw/zinc/97/60/33/455976033.db2.gz NSCDHDSWYSHAHX-ZCNNSNEGSA-N 2 0 346.515 3.110 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)[nH+]1 ZINC000195516311 455976579 /nfs/dbraw/zinc/97/65/79/455976579.db2.gz REVROGNZVIKDAJ-PBHICJAKSA-N 2 0 347.409 3.136 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H](O)C(F)F ZINC000296642511 455998142 /nfs/dbraw/zinc/99/81/42/455998142.db2.gz YFCMSGINXARZOC-JCECYMMASA-N 2 0 338.442 3.176 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272688712 456039729 /nfs/dbraw/zinc/03/97/29/456039729.db2.gz OZLWRFBMXLFJOE-PWRODBHTSA-N 3 0 329.532 3.219 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617015215 460710276 /nfs/dbraw/zinc/71/02/76/460710276.db2.gz XUNYIVHJWZSKGN-MSOLQXFVSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@]1([NH3+])CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000263299154 456121442 /nfs/dbraw/zinc/12/14/42/456121442.db2.gz WVMZARQIBQIHHK-TZIWHRDSSA-N 2 0 343.515 3.196 10 0 EGAERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000237124917 456236296 /nfs/dbraw/zinc/23/62/96/456236296.db2.gz SRWUTCIZROESHH-SJLPKXTDSA-N 2 0 343.496 3.020 10 0 EGAERP C[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccc(F)cc1 ZINC000275731266 456299541 /nfs/dbraw/zinc/29/95/41/456299541.db2.gz PHPGZXGOUGDYDY-FXAWDEMLSA-N 2 0 333.495 3.031 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464599 456475869 /nfs/dbraw/zinc/47/58/69/456475869.db2.gz GQWCEZXHNRFCLZ-OALUTQOASA-N 2 0 346.540 3.010 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464598 456476445 /nfs/dbraw/zinc/47/64/45/456476445.db2.gz GQWCEZXHNRFCLZ-MOPGFXCFSA-N 2 0 346.540 3.010 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+][C@H]3COC4(CCC4)C3)cc2)C[C@H](C)O1 ZINC000657825738 462284979 /nfs/dbraw/zinc/28/49/79/462284979.db2.gz BUMUWPLFETYDOK-FUHIMQAGSA-N 2 0 344.499 3.097 10 0 EGAERP COCC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCCCC1 ZINC000353145200 456521629 /nfs/dbraw/zinc/52/16/29/456521629.db2.gz COUQKLQIWMVCFT-UHFFFAOYSA-N 2 0 328.460 3.262 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@@H]2CCC[C@@H]21 ZINC000353406448 456679651 /nfs/dbraw/zinc/67/96/51/456679651.db2.gz UJNPJNVHHUYSMW-FHWLQOOXSA-N 2 0 339.483 3.466 10 0 EGAERP COc1cc([C@@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1F ZINC000353650061 456830028 /nfs/dbraw/zinc/83/00/28/456830028.db2.gz PVUFGGAILNGFCS-CYBMUJFWSA-N 2 0 326.481 3.312 10 0 EGAERP CSC1(C[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC[NH+](C)CC1 ZINC000353664341 456841680 /nfs/dbraw/zinc/84/16/80/456841680.db2.gz WQCGGBKFNLSOGS-HNNXBMFYSA-N 2 0 336.549 3.476 10 0 EGAERP C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292162861 456873516 /nfs/dbraw/zinc/87/35/16/456873516.db2.gz OTBOECCCGUPZNX-IIBYNOLFSA-N 2 0 337.467 3.194 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCCSCC2)CC1 ZINC000349038553 456894472 /nfs/dbraw/zinc/89/44/72/456894472.db2.gz VNGWWDPJOQODBS-UHFFFAOYSA-N 2 0 333.545 3.158 10 0 EGAERP Cc1cnn(CC[N@@H+]2CC[C@@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000341893978 456990041 /nfs/dbraw/zinc/99/00/41/456990041.db2.gz IKAJWSNCHONVDM-OAQYLSRUSA-N 2 0 338.499 3.180 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C3[C@@H](C)CCC[C@@H]3C)cn2)CC1 ZINC000360012786 457203641 /nfs/dbraw/zinc/20/36/41/457203641.db2.gz WOKQYHJJACKUGQ-IRXDYDNUSA-N 2 0 330.520 3.138 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1C ZINC000354425577 457214825 /nfs/dbraw/zinc/21/48/25/457214825.db2.gz JTCYXLKBCGXYQR-YLJYHZDGSA-N 2 0 343.515 3.227 10 0 EGAERP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)c1nccn1C ZINC000347254044 457312327 /nfs/dbraw/zinc/31/23/27/457312327.db2.gz GEJMVOLOQVEVHJ-OWCLPIDISA-N 2 0 328.460 3.202 10 0 EGAERP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352082148 457337353 /nfs/dbraw/zinc/33/73/53/457337353.db2.gz HXYVITCLRRXEFL-ZTFGCOKTSA-N 2 0 339.886 3.298 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000373869057 457377447 /nfs/dbraw/zinc/37/74/47/457377447.db2.gz TYYMNEAUXJCOSG-ZAWLATJESA-N 2 0 336.520 3.351 10 0 EGAERP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390700600 457439189 /nfs/dbraw/zinc/43/91/89/457439189.db2.gz SZBINCTUYIEEFZ-ZMWHVPEISA-N 2 0 327.516 3.302 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H]1C ZINC000397554270 457487633 /nfs/dbraw/zinc/48/76/33/457487633.db2.gz JYXWIQBNSFVULD-WSTZPKSXSA-N 2 0 330.516 3.428 10 0 EGAERP OC1(C[NH2+][C@H]2CCCc3occc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397639666 457489846 /nfs/dbraw/zinc/48/98/46/457489846.db2.gz RNGHCLGETVQLDB-IBGZPJMESA-N 2 0 340.467 3.274 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000425362649 457520609 /nfs/dbraw/zinc/52/06/09/457520609.db2.gz VKQUDUZROGBNHQ-RBUKOAKNSA-N 2 0 334.529 3.187 10 0 EGAERP CS[C@@H]1CC[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000425361457 457521042 /nfs/dbraw/zinc/52/10/42/457521042.db2.gz SGEHAEIGKNHVQP-WTLGNFPFSA-N 2 0 334.529 3.279 10 0 EGAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000370883417 457733309 /nfs/dbraw/zinc/73/33/09/457733309.db2.gz KAHHOTQEBGFCPE-UIAACRFSSA-N 2 0 332.463 3.116 10 0 EGAERP CC(CC[NH+](C)C[C@H]1CCCCO1)CC[N@H+](C)C[C@H]1CCCCO1 ZINC000411183209 457822917 /nfs/dbraw/zinc/82/29/17/457822917.db2.gz CSRCEPPWJILUFT-WOJBJXKFSA-N 2 0 340.552 3.405 10 0 EGAERP CC[NH+]1CCC(NC(=O)C[NH2+]C2(c3ccccc3)CCCCC2)CC1 ZINC000411390478 457871393 /nfs/dbraw/zinc/87/13/93/457871393.db2.gz NHOCQDPJXWQHLQ-UHFFFAOYSA-N 2 0 343.515 3.036 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000375897471 458114009 /nfs/dbraw/zinc/11/40/09/458114009.db2.gz HZXBPGCOGMJXLH-HSALFYBXSA-N 2 0 344.499 3.363 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000436303911 458285036 /nfs/dbraw/zinc/28/50/36/458285036.db2.gz CQGBENOXPRMYRO-OGWHTMIXSA-N 2 0 336.520 3.351 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2(OC)CCC2)[C@H](C)C1 ZINC000429541131 458342287 /nfs/dbraw/zinc/34/22/87/458342287.db2.gz VAWSENGFCCWLAG-SQNIBIBYSA-N 2 0 326.525 3.061 10 0 EGAERP C[C@H]1CN(c2ccccc2C[NH+]2CCC(c3c[nH]cn3)CC2)CCO1 ZINC000459361515 458344523 /nfs/dbraw/zinc/34/45/23/458344523.db2.gz ZZRGGZRTGZJUAA-INIZCTEOSA-N 2 0 340.471 3.014 10 0 EGAERP C[C@@H]([NH2+][C@H](c1cccc(Br)c1)C1CCOCC1)[C@H](C)[NH3+] ZINC000423441261 458433480 /nfs/dbraw/zinc/43/34/80/458433480.db2.gz BEOLEOYOXUQHED-OZVIIMIRSA-N 2 0 341.293 3.242 10 0 EGAERP Fc1cccc2c1SCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505381 458446539 /nfs/dbraw/zinc/44/65/39/458446539.db2.gz HOPWYSGSBQUFOU-JTTJXQCZSA-N 2 0 349.519 3.169 10 0 EGAERP c1ccc2c(c1)SCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423509698 458447187 /nfs/dbraw/zinc/44/71/87/458447187.db2.gz LXFRNIZIRSEENG-LEOMRAHMSA-N 2 0 331.529 3.030 10 0 EGAERP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423716728 458475266 /nfs/dbraw/zinc/47/52/66/458475266.db2.gz YAVXJNQKVILFOV-JXFKEZNVSA-N 2 0 337.467 3.053 10 0 EGAERP CC[C@H]1CCC[C@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714567 458512744 /nfs/dbraw/zinc/51/27/44/458512744.db2.gz ICHPNJHQCZPVFR-JKIHBJOUSA-N 2 0 333.564 3.446 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000471235014 458687139 /nfs/dbraw/zinc/68/71/39/458687139.db2.gz KXHATTPSJKTVMA-LSDHHAIUSA-N 2 0 348.516 3.393 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208611 458716639 /nfs/dbraw/zinc/71/66/39/458716639.db2.gz FXXQBWRVDNIIPI-YZLZLFLDSA-N 2 0 330.472 3.117 10 0 EGAERP CC(C)COc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249734 458730562 /nfs/dbraw/zinc/73/05/62/458730562.db2.gz YIEKEGWLJLFUJN-NRFANRHFSA-N 2 0 346.515 3.312 10 0 EGAERP CC[C@@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475024678 458912614 /nfs/dbraw/zinc/91/26/14/458912614.db2.gz TYBFHQBBRYQKGT-RTBURBONSA-N 2 0 331.504 3.060 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](C)c2ccc(F)cc2)CC1 ZINC000475627669 458955536 /nfs/dbraw/zinc/95/55/36/458955536.db2.gz UFBAOOMYUBGIAH-OAHLLOKOSA-N 2 0 329.419 3.155 10 0 EGAERP C[C@@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970020 459009187 /nfs/dbraw/zinc/00/91/87/459009187.db2.gz YIYMURNPVGATAL-DENIHFKCSA-N 2 0 343.559 3.261 10 0 EGAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970021 459009797 /nfs/dbraw/zinc/00/97/97/459009797.db2.gz YIYMURNPVGATAL-KNQAVFIVSA-N 2 0 343.559 3.261 10 0 EGAERP Cc1cccn2cc(-c3ccc(NC(=O)[C@@H]4CC[N@@H+](C)C4)cc3)nc12 ZINC000521358840 459144059 /nfs/dbraw/zinc/14/40/59/459144059.db2.gz BNKGKVYWLVOLRP-MRXNPFEDSA-N 2 0 334.423 3.200 10 0 EGAERP CCC[C@H](C)C[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412407 459154954 /nfs/dbraw/zinc/15/49/54/459154954.db2.gz YZMJIIREXJMILO-FPOVZHCZSA-N 2 0 329.532 3.315 10 0 EGAERP CC[NH+]1CCC(N[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)CC1 ZINC000567851589 459178204 /nfs/dbraw/zinc/17/82/04/459178204.db2.gz QQQHLELCKINORJ-FQEVSTJZSA-N 2 0 327.516 3.258 10 0 EGAERP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000481048328 459229503 /nfs/dbraw/zinc/22/95/03/459229503.db2.gz LPCSAANOQABQKD-XJKCOSOUSA-N 2 0 325.294 3.310 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000522549996 459248683 /nfs/dbraw/zinc/24/86/83/459248683.db2.gz ZZHHAXQPOFQTNG-HXUWFJFHSA-N 2 0 329.532 3.214 10 0 EGAERP C[NH+]1CCN(c2cc(C[NH2+]CCCC3CCCCC3)ccn2)CC1 ZINC000561951623 459495276 /nfs/dbraw/zinc/49/52/76/459495276.db2.gz UKGORGYZQJUNJG-UHFFFAOYSA-N 2 0 330.520 3.284 10 0 EGAERP COC[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000526107112 459548739 /nfs/dbraw/zinc/54/87/39/459548739.db2.gz YNTIVJOYAQTBHV-OAQYLSRUSA-N 2 0 346.515 3.204 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000499153740 459623283 /nfs/dbraw/zinc/62/32/83/459623283.db2.gz SSMIYWRHJUMVTO-MMKMLUHNSA-N 2 0 325.500 3.008 10 0 EGAERP c1ccc([C@H](CC2CC2)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000573437141 459677720 /nfs/dbraw/zinc/67/77/20/459677720.db2.gz VGZDAGMJYXERBQ-CBNMVNINSA-N 2 0 327.516 3.334 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000527692250 459703352 /nfs/dbraw/zinc/70/33/52/459703352.db2.gz RFVBNRRIADENMA-ZFCZOSEKSA-N 2 0 328.500 3.168 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H]2c3cc(C)ccc3C[C@@H]2C)CC[NH2+]CC1 ZINC000596649109 459714078 /nfs/dbraw/zinc/71/40/78/459714078.db2.gz BIDMABSHKCCWQU-FRQCXROJSA-N 2 0 344.499 3.139 10 0 EGAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350940 459717115 /nfs/dbraw/zinc/71/71/15/459717115.db2.gz JFGYGRVPOGSWIF-HUUCEWRRSA-N 2 0 327.476 3.276 10 0 EGAERP CCC[N@@H+]1CC[C@@H](CN[C@@H](C)c2cc(-c3ccccc3)n(C)n2)C1 ZINC000527849979 459757816 /nfs/dbraw/zinc/75/78/16/459757816.db2.gz JPLZXCRNNABCCR-IRXDYDNUSA-N 2 0 326.488 3.470 10 0 EGAERP Cc1nccc(N2CC[NH+](CCCOc3ccc(Cl)cc3)CC2)n1 ZINC000544759935 459782264 /nfs/dbraw/zinc/78/22/64/459782264.db2.gz XKCYZZMJJNNQLS-UHFFFAOYSA-N 2 0 346.862 3.030 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCCCC[C@@H]3[NH3+])c2)C[C@H](C)O1 ZINC000574392384 459813248 /nfs/dbraw/zinc/81/32/48/459813248.db2.gz UITFFEHGUVDXBB-ACZWYYKOSA-N 2 0 331.504 3.368 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000597199457 459873746 /nfs/dbraw/zinc/87/37/46/459873746.db2.gz CZFGIIGURUCYBD-IPMKNSEASA-N 2 0 342.483 3.110 10 0 EGAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)CS2 ZINC000574811681 459875766 /nfs/dbraw/zinc/87/57/66/459875766.db2.gz NYLZCOQUUIPJNB-WCXIOVBPSA-N 2 0 332.513 3.440 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000600180998 460423270 /nfs/dbraw/zinc/42/32/70/460423270.db2.gz PBGSEFDJDVQZDC-QZTJIDSGSA-N 2 0 344.499 3.356 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000600181003 460423313 /nfs/dbraw/zinc/42/33/13/460423313.db2.gz PBGSEFDJDVQZDC-ZWKOTPCHSA-N 2 0 344.499 3.356 10 0 EGAERP COc1sc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000634732589 460498089 /nfs/dbraw/zinc/49/80/89/460498089.db2.gz JSAXOFHOTXHUKT-SNVBAGLBSA-N 2 0 347.322 3.387 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)CC1(C)C ZINC000623362798 460511356 /nfs/dbraw/zinc/51/13/56/460511356.db2.gz LFSIEPIUIZTRFB-LJQANCHMSA-N 2 0 333.495 3.253 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC(F)F ZINC000623393260 460524412 /nfs/dbraw/zinc/52/44/12/460524412.db2.gz CUHPROSUYZCSLK-CQSZACIVSA-N 2 0 342.430 3.302 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCOc2ccc(Br)cc2)CC1(C)C ZINC000623404251 460530607 /nfs/dbraw/zinc/53/06/07/460530607.db2.gz VOHVJXHYLOYMHX-CQSZACIVSA-N 2 0 341.293 3.290 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623404592 460530826 /nfs/dbraw/zinc/53/08/26/460530826.db2.gz CETWDWINXQWITR-INIZCTEOSA-N 2 0 331.435 3.486 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCO2)cc1 ZINC000623865543 460751463 /nfs/dbraw/zinc/75/14/63/460751463.db2.gz UYSDOIUNEUDEJA-PXNSSMCTSA-N 2 0 334.504 3.454 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629528685 460797465 /nfs/dbraw/zinc/79/74/65/460797465.db2.gz GSGCTVYHCIEXQC-HNNXBMFYSA-N 2 0 349.475 3.152 10 0 EGAERP Fc1cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c(F)cc1Br ZINC000629531644 460797872 /nfs/dbraw/zinc/79/78/72/460797872.db2.gz SPYBTMNLGWIQLS-HOSYDEDBSA-N 2 0 345.231 3.205 10 0 EGAERP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2cc1Cl ZINC000629545370 460802989 /nfs/dbraw/zinc/80/29/89/460802989.db2.gz KGEOQFWMQMCENG-KWCYVHTRSA-N 2 0 335.854 3.481 10 0 EGAERP Cc1cc(-c2ccccc2C[NH+]2CCN(C)CC2)cc2c1C[NH2+]CC2 ZINC000629735830 460897315 /nfs/dbraw/zinc/89/73/15/460897315.db2.gz HGMSLDGSVNQZQE-UHFFFAOYSA-N 2 0 335.495 3.055 10 0 EGAERP C[N@H+](CCN1CC[NH+](C[C@]2(C)CCCS2)CC1)Cc1ccccc1 ZINC000628163666 461027480 /nfs/dbraw/zinc/02/74/80/461027480.db2.gz NATWEEBMDIXGNS-FQEVSTJZSA-N 2 0 347.572 3.022 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@H]2CC[NH+](CC)C2)cc1 ZINC000617929367 461028598 /nfs/dbraw/zinc/02/85/98/461028598.db2.gz HRWIVVQGKSFAKD-FQEVSTJZSA-N 2 0 345.531 3.475 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@@H]32)cc1OC1CC1 ZINC000628280670 461071378 /nfs/dbraw/zinc/07/13/78/461071378.db2.gz BMDRJDRPWYXBRB-WMZOPIPTSA-N 2 0 330.472 3.153 10 0 EGAERP OCC1(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000652312206 461121994 /nfs/dbraw/zinc/12/19/94/461121994.db2.gz IXCBUZCEBJLPKH-ACDBMABISA-N 2 0 328.500 3.324 10 0 EGAERP C[N@H+](Cc1cnn(-c2ccccc2)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000662248417 461142089 /nfs/dbraw/zinc/14/20/89/461142089.db2.gz AVLQFBQRDJKFHB-UHFFFAOYSA-N 2 0 332.451 3.150 10 0 EGAERP c1cc(C[N@@H+]2CCC[C@@H]2c2ccc3c(c2)OCO3)c2c(c1)C[NH2+]CC2 ZINC000662255807 461143312 /nfs/dbraw/zinc/14/33/12/461143312.db2.gz DQEVOZZGTAWOKA-LJQANCHMSA-N 2 0 336.435 3.398 10 0 EGAERP Cc1ccccc1OCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652363034 461154509 /nfs/dbraw/zinc/15/45/09/461154509.db2.gz VZMDAJWVHHHSJC-NLWGTHIKSA-N 2 0 332.488 3.125 10 0 EGAERP Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000652361375 461155419 /nfs/dbraw/zinc/15/54/19/461155419.db2.gz FYCDJVLUXNUCFU-NRSPTQNISA-N 2 0 346.515 3.433 10 0 EGAERP COCCc1ccc(OC[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1 ZINC000668234898 461197217 /nfs/dbraw/zinc/19/72/17/461197217.db2.gz YNQYWUWOQOZRME-INIZCTEOSA-N 2 0 339.439 3.080 10 0 EGAERP c1ccc([C@@H]2C[C@@H]2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000668439729 461282868 /nfs/dbraw/zinc/28/28/68/461282868.db2.gz DBANAGSLSDDTDF-CTNGQTDRSA-N 2 0 328.500 3.271 10 0 EGAERP c1ccc(OCCCC[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000668439872 461282878 /nfs/dbraw/zinc/28/28/78/461282878.db2.gz GABNZPGGYINCSY-UHFFFAOYSA-N 2 0 346.515 3.326 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]([C@H]2CCCCO2)C1 ZINC000668630252 461364108 /nfs/dbraw/zinc/36/41/08/461364108.db2.gz HWBKHSUXRCFEKO-YLJYHZDGSA-N 2 0 340.471 3.357 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(F)cc3[C@@H](C)C2)CC1 ZINC000649894508 461428131 /nfs/dbraw/zinc/42/81/31/461428131.db2.gz NGMODGBYHMAWPQ-SFHVURJKSA-N 2 0 347.522 3.203 10 0 EGAERP CCC1([NH+](C)C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000634125861 461429865 /nfs/dbraw/zinc/42/98/65/461429865.db2.gz ZLRWBPJVPLOJIZ-SFHVURJKSA-N 2 0 335.536 3.116 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000660006473 461541853 /nfs/dbraw/zinc/54/18/53/461541853.db2.gz OIJSCXVYPYVNBN-NVXWUHKLSA-N 2 0 330.463 3.387 10 0 EGAERP CC(C)C[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccncc1 ZINC000647288112 461615699 /nfs/dbraw/zinc/61/56/99/461615699.db2.gz LRYUDAXLNMSEIO-FQEVSTJZSA-N 2 0 332.536 3.032 10 0 EGAERP C[N@H+](CCO[C@@H]1CC1(F)F)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000660166244 461616685 /nfs/dbraw/zinc/61/66/85/461616685.db2.gz MQNTUDBLMMZBGM-QGZVFWFLSA-N 2 0 339.430 3.044 10 0 EGAERP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000647336719 461641430 /nfs/dbraw/zinc/64/14/30/461641430.db2.gz FIHAEGVRICUAKM-WAOWUJCRSA-N 2 0 332.532 3.469 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]C2CCC3(CCCO3)CC2)[C@H](c2ccccc2)C1 ZINC000647344402 461647144 /nfs/dbraw/zinc/64/71/44/461647144.db2.gz PWIQRIFGUQFXNI-OSIBBQKWSA-N 2 0 328.500 3.413 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@H]3CCc4ccccc43)CC2)CC1 ZINC000643255211 461651395 /nfs/dbraw/zinc/65/13/95/461651395.db2.gz ARNBNRDSSRTZDM-NRFANRHFSA-N 2 0 327.516 3.166 10 0 EGAERP O=C(c1ccc(-c2c[nH]cn2)cc1)N1CCC(C[NH+]2CCCC2)CC1 ZINC000631272767 461686537 /nfs/dbraw/zinc/68/65/37/461686537.db2.gz LAUDDWURJZCKMH-UHFFFAOYSA-N 2 0 338.455 3.025 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](OC2CCC2)C1 ZINC000656272532 461696618 /nfs/dbraw/zinc/69/66/18/461696618.db2.gz WXKLIPSZMODLLX-IBGZPJMESA-N 2 0 326.444 3.109 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647548802 461761054 /nfs/dbraw/zinc/76/10/54/461761054.db2.gz VAAZWXFTRVZARI-ZIFCJYIRSA-N 2 0 338.499 3.473 10 0 EGAERP CC1=C(C)C[C@H]([C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000639164377 461774447 /nfs/dbraw/zinc/77/44/47/461774447.db2.gz QRYRSDAVBWHCTN-KGEPEWOVSA-N 2 0 347.547 3.185 10 0 EGAERP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647793373 461838370 /nfs/dbraw/zinc/83/83/70/461838370.db2.gz VYSGHYIVBVCILY-HDAAZOAOSA-N 2 0 338.499 3.219 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857938 461838467 /nfs/dbraw/zinc/83/84/67/461838467.db2.gz QOGTZIXGLKKBLX-BXUZGUMPSA-N 2 0 329.257 3.251 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(C3CC3)[C@@H](c3ccccc3)C2)C1 ZINC000639309763 461854529 /nfs/dbraw/zinc/85/45/29/461854529.db2.gz DVLLSOMIMFJGMM-FRTACKCFSA-N 2 0 327.516 3.284 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647901599 461876101 /nfs/dbraw/zinc/87/61/01/461876101.db2.gz RDYCMDNQFMIDGK-CVEARBPZSA-N 2 0 347.528 3.201 10 0 EGAERP COc1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)O[C@@H](C)C2 ZINC000656785200 461895505 /nfs/dbraw/zinc/89/55/05/461895505.db2.gz KOUCCGCMMXKQFM-RDJZCZTQSA-N 2 0 344.499 3.230 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2ccc(OC(F)F)c(Br)c2)CC1 ZINC000650713056 461906457 /nfs/dbraw/zinc/90/64/57/461906457.db2.gz CLPSDEKSNOEIBW-UHFFFAOYSA-N 2 0 349.219 3.269 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000650724078 461916715 /nfs/dbraw/zinc/91/67/15/461916715.db2.gz YBUYNMXRXPUXHK-HYVNUMGLSA-N 2 0 335.517 3.271 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@@H+](Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995377 461928450 /nfs/dbraw/zinc/92/84/50/461928450.db2.gz SGGGMZVPIGJSEA-FQEVSTJZSA-N 2 0 339.483 3.353 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](CCn1cncn1)c1ccc(C)cc1 ZINC000650757213 461937572 /nfs/dbraw/zinc/93/75/72/461937572.db2.gz RNQZIMSFOAMAGW-OAQYLSRUSA-N 2 0 349.482 3.227 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CCCOc2ccc(OC)cc21 ZINC000650758605 461938626 /nfs/dbraw/zinc/93/86/26/461938626.db2.gz TUSIGBOITUQKEN-IBGZPJMESA-N 2 0 326.440 3.418 10 0 EGAERP CCOc1cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccc1O ZINC000648068172 461967241 /nfs/dbraw/zinc/96/72/41/461967241.db2.gz HFUHDTJEFCRTTH-MOPGFXCFSA-N 2 0 340.467 3.226 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CC[C@@H](c3ccccc3)C1)CCO2 ZINC000660902220 462014038 /nfs/dbraw/zinc/01/40/38/462014038.db2.gz DJYGKCCWRYPIJO-UYAOXDASSA-N 2 0 328.500 3.367 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657310554 462034762 /nfs/dbraw/zinc/03/47/62/462034762.db2.gz MUTXUZCHQUNIQZ-KRWDZBQOSA-N 2 0 338.499 3.351 10 0 EGAERP CN(CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1F ZINC000657324236 462046788 /nfs/dbraw/zinc/04/67/88/462046788.db2.gz POTLZPRQPWDYOI-UHFFFAOYSA-N 2 0 339.418 3.023 10 0 EGAERP Cc1cc(N[C@@H]2CC[N@@H+](C3CCCCC3)C2)nc(-c2ccncc2)n1 ZINC000664402337 462047022 /nfs/dbraw/zinc/04/70/22/462047022.db2.gz CIFZXGBOFGDNOY-QGZVFWFLSA-N 2 0 337.471 3.088 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000657395308 462094885 /nfs/dbraw/zinc/09/48/85/462094885.db2.gz UDNMZEUANASFLJ-PKOBYXMFSA-N 2 0 347.466 3.020 10 0 EGAERP Cc1[nH+]c2ccccc2c(N2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000664659422 462143539 /nfs/dbraw/zinc/14/35/39/462143539.db2.gz XISCZMGZTYELSN-QGZVFWFLSA-N 2 0 327.472 3.399 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)c2sccc21 ZINC000651228250 462145233 /nfs/dbraw/zinc/14/52/33/462145233.db2.gz DOVRMVFTMDJQIR-RVKKMQEKSA-N 2 0 333.545 3.445 10 0 EGAERP Fc1cncc(Br)c1CN1CCC[C@@H](n2ccnc2)C1 ZINC000667587106 462159764 /nfs/dbraw/zinc/15/97/64/462159764.db2.gz HEEOGCCQSKDBDC-LLVKDONJSA-N 2 0 339.212 3.017 10 0 EGAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@H]1CCCN(c2ccccc2)C1 ZINC000667652133 462191919 /nfs/dbraw/zinc/19/19/19/462191919.db2.gz TVNJHPWKFLKWQR-FQEVSTJZSA-N 2 0 347.466 3.368 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C1 ZINC000657594514 462196188 /nfs/dbraw/zinc/19/61/88/462196188.db2.gz BEODOCPPSSOIBC-INIZCTEOSA-N 2 0 336.888 3.258 10 0 EGAERP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000667664420 462197584 /nfs/dbraw/zinc/19/75/84/462197584.db2.gz KWOZQXVFDWGTFO-IPMKNSEASA-N 2 0 340.471 3.293 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cncc(Br)c2C)[C@@H](C)C1 ZINC000667666512 462199210 /nfs/dbraw/zinc/19/92/10/462199210.db2.gz PAAIFPGBPBURRE-BLLLJJGKSA-N 2 0 340.309 3.315 10 0 EGAERP CC(C)[N@H+](CCc1nccs1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667679096 462209852 /nfs/dbraw/zinc/20/98/52/462209852.db2.gz UYBIJBDQUVIIDJ-UHFFFAOYSA-N 2 0 327.457 3.177 10 0 EGAERP CCC[N@@H+]1CC[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657741186 462246975 /nfs/dbraw/zinc/24/69/75/462246975.db2.gz FFSIOOWRDLMYRE-VQTJNVASSA-N 2 0 327.516 3.258 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657838555 462291417 /nfs/dbraw/zinc/29/14/17/462291417.db2.gz CNSHAXCWHSYXFE-WSTZPKSXSA-N 2 0 340.552 3.166 10 0 EGAERP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651699111 462307621 /nfs/dbraw/zinc/30/76/21/462307621.db2.gz HMTJNUWAKKOUJR-AZUAARDMSA-N 2 0 331.504 3.036 10 0 EGAERP COC1CC(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000658062131 462363784 /nfs/dbraw/zinc/36/37/84/462363784.db2.gz YGQZGRHPEVENHW-OCDPCBSRSA-N 2 0 330.516 3.487 10 0 EGAERP CCC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC000658069258 462366735 /nfs/dbraw/zinc/36/67/35/462366735.db2.gz DZNKUYYUQGETKL-FQEVSTJZSA-N 2 0 331.504 3.403 10 0 EGAERP c1cncc([C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CCC2)c1 ZINC000658070427 462367491 /nfs/dbraw/zinc/36/74/91/462367491.db2.gz OUKSFQJPCYLNOO-NRFANRHFSA-N 2 0 343.515 3.403 10 0 EGAERP FCC[C@@H]1CCC[NH+](CCOCC[N@H+]2CCC[C@@H](CCF)C2)C1 ZINC000661690324 462367996 /nfs/dbraw/zinc/36/79/96/462367996.db2.gz LUDBWUKRAOILON-ROUUACIJSA-N 2 0 332.479 3.146 10 0 EGAERP CO[C@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCOC1 ZINC000658071957 462368783 /nfs/dbraw/zinc/36/87/83/462368783.db2.gz LBMKQRKXUSGCRU-SJLPKXTDSA-N 2 0 340.552 3.307 10 0 EGAERP Cc1cc(Br)c(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)s1 ZINC000665267272 462377361 /nfs/dbraw/zinc/37/73/61/462377361.db2.gz TUTDDFCQXHEXGX-QJPTWQEYSA-N 2 0 329.307 3.297 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000665281473 462383158 /nfs/dbraw/zinc/38/31/58/462383158.db2.gz DQCQLARCYMAXGH-DOIPELPJSA-N 3 0 329.532 3.250 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143128 462404831 /nfs/dbraw/zinc/40/48/31/462404831.db2.gz WUVKJXZGGMUWPT-KDOFPFPSSA-N 2 0 346.421 3.382 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658146512 462407238 /nfs/dbraw/zinc/40/72/38/462407238.db2.gz VLRWECKIELZEKP-OXQOHEQNSA-N 2 0 340.467 3.113 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC000652038411 462414297 /nfs/dbraw/zinc/41/42/97/462414297.db2.gz SXWQXWWBAWJFSX-GOSISDBHSA-N 2 0 330.516 3.224 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318302 462475168 /nfs/dbraw/zinc/47/51/68/462475168.db2.gz OVACSVFHFWVRMG-PKOBYXMFSA-N 2 0 338.499 3.373 10 0 EGAERP O[C@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@H]1CCc1ccccc1 ZINC000646073782 462510307 /nfs/dbraw/zinc/51/03/07/462510307.db2.gz IZENLCBFFFUVAW-SFTDATJTSA-N 2 0 330.516 3.321 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](CCOc1ccc3ccccc3c1)CCO2 ZINC000646102484 462517872 /nfs/dbraw/zinc/51/78/72/462517872.db2.gz KMDKVHPDUSNVOL-UHFFFAOYSA-N 2 0 340.467 3.015 10 0 EGAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCCC[C@@H]2CC2CCC2)CC1 ZINC000662155973 462532230 /nfs/dbraw/zinc/53/22/30/462532230.db2.gz JECLQCPLQRAZQK-LJQANCHMSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]([NH2+]CCc1ccccc1O)c1cccc(OCC[NH+](C)C)c1 ZINC000154943295 533875697 /nfs/dbraw/zinc/87/56/97/533875697.db2.gz FUGLOAMCKPJHPO-INIZCTEOSA-N 2 0 328.456 3.226 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000266398434 535602420 /nfs/dbraw/zinc/60/24/20/535602420.db2.gz XGXSWDHUHZUTOY-IHWFROFDSA-N 2 0 343.515 3.274 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)CC(C)C ZINC000354617082 535670210 /nfs/dbraw/zinc/67/02/10/535670210.db2.gz WRASSHNOCUMXCM-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CC[NH+](CC)CC1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC000344884836 535757955 /nfs/dbraw/zinc/75/79/55/535757955.db2.gz LIXSOFCQEQPKPV-HXUWFJFHSA-N 2 0 345.531 3.260 10 0 EGAERP C[C@@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000093645043 546686462 /nfs/dbraw/zinc/68/64/62/546686462.db2.gz YVWGNEWGSUPQPX-UYAOXDASSA-N 2 0 345.531 3.076 10 0 EGAERP C[C@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152982837 546875778 /nfs/dbraw/zinc/87/57/78/546875778.db2.gz AXIAVFOABPQOMS-RXVVDRJESA-N 2 0 329.532 3.361 10 0 EGAERP CCCOc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)ccc1OC ZINC000188418031 547149060 /nfs/dbraw/zinc/14/90/60/547149060.db2.gz BHWBIQINXKZRLS-QGZVFWFLSA-N 2 0 329.444 3.345 10 0 EGAERP OCC[C@H]1CCCCC[N@@H+]1Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000671309679 548276885 /nfs/dbraw/zinc/27/68/85/548276885.db2.gz ZMMCQVXYGKOHER-HXUWFJFHSA-N 2 0 346.515 3.288 10 0 EGAERP C[C@@H](c1ccco1)N(C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000676704756 549131870 /nfs/dbraw/zinc/13/18/70/549131870.db2.gz JKYFBQIEYVVTKY-LPHOPBHVSA-N 2 0 328.456 3.298 10 0 EGAERP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000678079678 549392200 /nfs/dbraw/zinc/39/22/00/549392200.db2.gz VMNSKGWBCIGYET-PKOBYXMFSA-N 2 0 327.516 3.386 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000678350391 549474164 /nfs/dbraw/zinc/47/41/64/549474164.db2.gz VZKPNTKZFZBJKI-GOTSBHOMSA-N 2 0 349.522 3.467 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@]2(O)CCCC(C)(C)C2)cc1 ZINC000682088883 550072773 /nfs/dbraw/zinc/07/27/73/550072773.db2.gz YMIUAWCHQDRLPH-FQEVSTJZSA-N 2 0 334.504 3.048 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)cc1 ZINC000870867585 1296121366 /nfs/dbraw/zinc/12/13/66/1296121366.db2.gz GSNGMDYXKUIJBV-PYQAKABTSA-N 2 0 327.472 3.127 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCOC3(CCCC3)C2)(N2CCCCC2)CC1 ZINC000872040533 1296690198 /nfs/dbraw/zinc/69/01/98/1296690198.db2.gz ZAPLEUBOLUIAKB-LJQANCHMSA-N 2 0 349.563 3.018 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(O)ccc1F ZINC000872084279 1296723741 /nfs/dbraw/zinc/72/37/41/1296723741.db2.gz HJCTZIKCWTUSOK-CQSZACIVSA-N 2 0 336.451 3.073 10 0 EGAERP C[C@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCCCCC[NH3+] ZINC000872155210 1296771777 /nfs/dbraw/zinc/77/17/77/1296771777.db2.gz NVHTYBUCZJXART-GFCCVEGCSA-N 2 0 329.847 3.257 10 0 EGAERP c1ccc(C[N@H+]2CCC[C@H](CN3CCC[C@H]([NH2+]C4CC4)C3)C2)cc1 ZINC000310343540 1297094295 /nfs/dbraw/zinc/09/42/95/1297094295.db2.gz DPITXBCRUOIOMN-FPOVZHCZSA-N 2 0 327.516 3.115 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638650 1297098580 /nfs/dbraw/zinc/09/85/80/1297098580.db2.gz GGEIWYWIWPGVCX-MSOLQXFVSA-N 2 0 347.503 3.326 10 0 EGAERP C[C@@H]1C[C@@H](N2CC[NH2+]C[C@H]2c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000313385018 1297121141 /nfs/dbraw/zinc/12/11/41/1297121141.db2.gz RLEYOJAVKXHONW-QIJUGHKUSA-N 2 0 335.495 3.296 10 0 EGAERP C[C@H]1C[C@H]([NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000715571659 1298282424 /nfs/dbraw/zinc/28/24/24/1298282424.db2.gz OYGLFOMFNILWHY-ORBLRFAASA-N 2 0 339.524 3.237 10 0 EGAERP CC[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716114502 1298294633 /nfs/dbraw/zinc/29/46/33/1298294633.db2.gz KILLXASYLVXQTJ-OFLPRAFFSA-N 2 0 339.524 3.094 10 0 EGAERP FC(F)(F)[C@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000929274986 1328554819 /nfs/dbraw/zinc/55/48/19/1328554819.db2.gz DGRVXKYSUMCOHJ-JKSUJKDBSA-N 2 0 334.426 3.294 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3cn[nH]c32)cc1 ZINC000857849566 1328602896 /nfs/dbraw/zinc/60/28/96/1328602896.db2.gz ZPPOHRNTYHRMRG-IBGZPJMESA-N 2 0 342.487 3.298 10 0 EGAERP C[N@H+](CCOC1CCSCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753493 1328688239 /nfs/dbraw/zinc/68/82/39/1328688239.db2.gz BDRRIMXLZGJYSA-LJQANCHMSA-N 2 0 348.556 3.353 10 0 EGAERP Cc1cc(C)c(N2CC[C@@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159703 1328698884 /nfs/dbraw/zinc/69/88/84/1328698884.db2.gz CDXASKZBGNSVMW-QZTJIDSGSA-N 2 0 343.515 3.180 10 0 EGAERP CC(C)[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858194265 1328708804 /nfs/dbraw/zinc/70/88/04/1328708804.db2.gz BSMYGNJSWKCTPL-HZPDHXFCSA-N 2 0 341.540 3.388 10 0 EGAERP CC[NH+]1CCN(c2ccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858385535 1328750165 /nfs/dbraw/zinc/75/01/65/1328750165.db2.gz BXGTUZYSSQRLCF-GOSISDBHSA-N 2 0 330.520 3.113 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533892 1328790709 /nfs/dbraw/zinc/79/07/09/1328790709.db2.gz YDBIGJCBRNKKKR-BEFAXECRSA-N 2 0 343.471 3.311 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](Cc3ccccc3CF)CC2)CC1 ZINC000930130352 1328793480 /nfs/dbraw/zinc/79/34/80/1328793480.db2.gz KBQQYFYIOGTZNU-UHFFFAOYSA-N 2 0 333.495 3.147 10 0 EGAERP C[N@@H+]1CCCC12CCN(CCC1(C(=O)OC(C)(C)C)CCC1)CC2 ZINC000930171314 1328803300 /nfs/dbraw/zinc/80/33/00/1328803300.db2.gz NVBBZJTUAYRGRW-UHFFFAOYSA-N 2 0 336.520 3.449 10 0 EGAERP CC(C)(C(=O)N1CCC(C)([NH+]2CCCCC2)CC1)[NH+]1CCCCC1 ZINC000913791610 1319126587 /nfs/dbraw/zinc/12/65/87/1319126587.db2.gz AIQYOHHMVFWCBI-UHFFFAOYSA-N 2 0 335.536 3.118 10 0 EGAERP Cn1c2ccccc2cc(C[N@H+](C)Cc2ccc(C[NH+](C)C)cc2)c1=O ZINC000859213666 1328948102 /nfs/dbraw/zinc/94/81/02/1328948102.db2.gz YSCHDLLYYYEJAU-UHFFFAOYSA-N 2 0 349.478 3.232 10 0 EGAERP Cc1cnc(Cl)c(C[NH2+]CCCC[N@@H+]2C[C@@H](C)O[C@@H](C)C2)c1 ZINC000921759780 1322393793 /nfs/dbraw/zinc/39/37/93/1322393793.db2.gz NGKPPHVASXUSKV-GASCZTMLSA-N 2 0 325.884 3.022 10 0 EGAERP c1cc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)n(C2CCC2)n1 ZINC000922244661 1322486418 /nfs/dbraw/zinc/48/64/18/1322486418.db2.gz XMFAFHDQDMDSSC-UHFFFAOYSA-N 2 0 339.487 3.005 10 0 EGAERP CCc1[nH]nc(Cl)c1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000922243151 1322486908 /nfs/dbraw/zinc/48/69/08/1322486908.db2.gz KQEMIBSATZIDLY-UHFFFAOYSA-N 2 0 347.894 3.022 10 0 EGAERP COC[C@@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000922949652 1322657132 /nfs/dbraw/zinc/65/71/32/1322657132.db2.gz NTABBLDBHPFTTC-LJQANCHMSA-N 2 0 347.547 3.225 10 0 EGAERP CCC[N@H+](CCC[NH2+]C1CC1)C1CCN(C(=O)c2ccccc2)CC1 ZINC000923310276 1322730589 /nfs/dbraw/zinc/73/05/89/1322730589.db2.gz CYKRYUXXGWEOAG-UHFFFAOYSA-N 2 0 343.515 3.145 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000923456070 1322754844 /nfs/dbraw/zinc/75/48/44/1322754844.db2.gz OIGYCCDFHCWIHR-ZDUSSCGKSA-N 2 0 329.271 3.323 10 0 EGAERP C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000923495936 1322761315 /nfs/dbraw/zinc/76/13/15/1322761315.db2.gz GFYSKOAKIOFEAA-LPHOPBHVSA-N 2 0 337.467 3.356 10 0 EGAERP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)n2)cc1 ZINC000923497740 1322762734 /nfs/dbraw/zinc/76/27/34/1322762734.db2.gz DAECEVBRDJYVPE-YOEHRIQHSA-N 2 0 328.460 3.277 10 0 EGAERP C[C@@]1(Cc2cccs2)CCC[N@@H+]1C[C@H](O)[C@@H]([NH3+])Cc1ccccc1 ZINC000923530993 1322770143 /nfs/dbraw/zinc/77/01/43/1322770143.db2.gz KPFLHHSKMWZGTE-UFYCRDLUSA-N 2 0 344.524 3.076 10 0 EGAERP Cc1nccn1-c1ccc(C[NH2+][C@H](C)c2cnn(C3CCC3)c2)cn1 ZINC000924722923 1323133259 /nfs/dbraw/zinc/13/32/59/1323133259.db2.gz JADQYNFXQGWYOZ-CQSZACIVSA-N 2 0 336.443 3.348 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000924855782 1323189590 /nfs/dbraw/zinc/18/95/90/1323189590.db2.gz RXWRHELYMSXHSN-HOTGVXAUSA-N 2 0 341.540 3.390 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1OCC[NH+](C)C)c1cnn(C2CCC2)c1 ZINC000924862735 1323190289 /nfs/dbraw/zinc/19/02/89/1323190289.db2.gz RJAMWGJVVHXXOT-MRXNPFEDSA-N 2 0 342.487 3.399 10 0 EGAERP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925027940 1323249922 /nfs/dbraw/zinc/24/99/22/1323249922.db2.gz JKBSUUPXAGKXFH-NHCUHLMSSA-N 2 0 346.515 3.312 10 0 EGAERP CC[C@@H](OCCN1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931286978 1329085786 /nfs/dbraw/zinc/08/57/86/1329085786.db2.gz ZZFNYHFTGZSYBE-OAQYLSRUSA-N 2 0 346.515 3.341 10 0 EGAERP CC(C)C[N@H+](CCOC1CCSCC1)CC1CC[NH+](C)CC1 ZINC000931565110 1329145436 /nfs/dbraw/zinc/14/54/36/1329145436.db2.gz ZKOYMRGTIWWXMC-UHFFFAOYSA-N 2 0 328.566 3.198 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)CO[C@H]1C ZINC000925135814 1325060836 /nfs/dbraw/zinc/06/08/36/1325060836.db2.gz ZFCFHSDATFQDTJ-FTRWYGJKSA-N 2 0 328.456 3.425 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)cc[nH+]1 ZINC000925300573 1325117083 /nfs/dbraw/zinc/11/70/83/1325117083.db2.gz MVYBJFACPPFUPC-UYAOXDASSA-N 2 0 329.488 3.093 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H](C3CC3)C3CCOCC3)CC2)cc[nH+]1 ZINC000925301376 1325118368 /nfs/dbraw/zinc/11/83/68/1325118368.db2.gz UWCUPZPGKOQMLS-FQEVSTJZSA-N 2 0 329.488 3.093 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@H]2CCc3c2nccc3Cl)C[C@@H](C)O1 ZINC000925438458 1325150015 /nfs/dbraw/zinc/15/00/15/1325150015.db2.gz AXVBKEQQZVZBIR-CPUCHLNUSA-N 2 0 337.895 3.201 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccnn1C1CCC1 ZINC000925438749 1325150656 /nfs/dbraw/zinc/15/06/56/1325150656.db2.gz DOYSGNNFJITENG-ZACQAIPSSA-N 2 0 334.508 3.148 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(F)cc1 ZINC000925480528 1325168389 /nfs/dbraw/zinc/16/83/89/1325168389.db2.gz FVNGIAUVQNKQSA-XUVXKRRUSA-N 2 0 333.495 3.186 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)nc2c1 ZINC000925480404 1325169063 /nfs/dbraw/zinc/16/90/63/1325169063.db2.gz KAQNKKBJYVKCOX-IAGOWNOFSA-N 2 0 326.488 3.253 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523635 1325190150 /nfs/dbraw/zinc/19/01/50/1325190150.db2.gz URPUDANDVAHSNJ-GJZGRUSLSA-N 2 0 335.289 3.340 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+][C@H]1CCN(c2ncccc2Cl)C1)c1ccccc1 ZINC000925551160 1325204412 /nfs/dbraw/zinc/20/44/12/1325204412.db2.gz FKQYKTBKMXDHMU-FUHWJXTLSA-N 2 0 344.890 3.384 10 0 EGAERP C[C@H](O)C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1 ZINC000925551995 1325204718 /nfs/dbraw/zinc/20/47/18/1325204718.db2.gz DSFPYAGRMMSCQV-NASSWSRMSA-N 2 0 330.516 3.299 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]Cc2cccc(COCc3ccco3)c2)C12CCC2 ZINC000925607613 1325229812 /nfs/dbraw/zinc/22/98/12/1325229812.db2.gz WGNNRIPWXBIBOS-RTBURBONSA-N 2 0 326.440 3.356 10 0 EGAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925617661 1325232873 /nfs/dbraw/zinc/23/28/73/1325232873.db2.gz DQESZCPLMMMQBB-VQTJNVASSA-N 2 0 338.499 3.439 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1Cl ZINC000925619064 1325233051 /nfs/dbraw/zinc/23/30/51/1325233051.db2.gz KUTCKSYXAWNYLG-LGSVPQMISA-N 2 0 328.859 3.397 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925629812 1325238658 /nfs/dbraw/zinc/23/86/58/1325238658.db2.gz PGTCPNHMCLGQKI-IJXRJRJASA-N 3 0 329.532 3.393 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCOC1 ZINC000925766496 1325290129 /nfs/dbraw/zinc/29/01/29/1325290129.db2.gz BBIHUXGAQMCHAZ-BOLBYERCSA-N 2 0 330.472 3.037 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCOC1 ZINC000925766506 1325290902 /nfs/dbraw/zinc/29/09/02/1325290902.db2.gz BBIHUXGAQMCHAZ-QEEHTWDDSA-N 2 0 330.472 3.037 10 0 EGAERP CC(C)c1ccc(C2(O)CCC([NH2+]C[C@@H]3C[NH2+]C[C@H]3C)CC2)cc1 ZINC000925783097 1325299912 /nfs/dbraw/zinc/29/99/12/1325299912.db2.gz BYXVWZZGTOJISQ-IWCLVNKQSA-N 2 0 330.516 3.385 10 0 EGAERP CC(C)Oc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1Cl ZINC000925817610 1325314905 /nfs/dbraw/zinc/31/49/05/1325314905.db2.gz SZKQMUOTBOXNTP-AWEZNQCLSA-N 2 0 339.911 3.201 10 0 EGAERP Fc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925847007 1325328230 /nfs/dbraw/zinc/32/82/30/1325328230.db2.gz ZFJYNFITJHAEPY-PMACEKPBSA-N 2 0 333.495 3.127 10 0 EGAERP Cc1ccc([C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCC2)cc1 ZINC000925850780 1325329751 /nfs/dbraw/zinc/32/97/51/1325329751.db2.gz QCSCXMCXCONKLR-RBUKOAKNSA-N 2 0 342.483 3.111 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc2ccccc21 ZINC000925853385 1325332035 /nfs/dbraw/zinc/33/20/35/1325332035.db2.gz INHWWHWQYNCNCM-RDJZCZTQSA-N 2 0 338.451 3.176 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925875303 1325339002 /nfs/dbraw/zinc/33/90/02/1325339002.db2.gz FYTQTRNVVSCYSC-INMHGKMJSA-N 2 0 332.492 3.338 10 0 EGAERP CC(=O)Nc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1 ZINC000925886449 1325343258 /nfs/dbraw/zinc/34/32/58/1325343258.db2.gz HFXZJLKZXLZGBT-ONGXBYRLSA-N 2 0 337.467 3.355 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)n(C)n1 ZINC000926274949 1325500136 /nfs/dbraw/zinc/50/01/36/1325500136.db2.gz MEZPVGYLDDNUNW-HKUYNNGSSA-N 2 0 332.536 3.151 10 0 EGAERP c1ccc([C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CCC2)nc1 ZINC000926676484 1327661754 /nfs/dbraw/zinc/66/17/54/1327661754.db2.gz MIWVWMMTNCCLOA-OAQYLSRUSA-N 2 0 343.515 3.403 10 0 EGAERP COC(=O)c1cc(C[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)n(C)c1C ZINC000926856309 1327742720 /nfs/dbraw/zinc/74/27/20/1327742720.db2.gz RKCVCBUKIPSOOF-CQSZACIVSA-N 2 0 343.471 3.033 10 0 EGAERP C[C@@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc(C[NH+](C)C)c1 ZINC000926929110 1327781477 /nfs/dbraw/zinc/78/14/77/1327781477.db2.gz RMIMHYPTCJOALN-GFCCVEGCSA-N 2 0 340.393 3.351 10 0 EGAERP Cc1c(C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)ccnc1F ZINC000862360597 1329477996 /nfs/dbraw/zinc/47/79/96/1329477996.db2.gz SRQJAOWIVYICOB-UHFFFAOYSA-N 2 0 343.446 3.292 10 0 EGAERP CCNCc1noc([C@@H]2C[N@H+](Cc3ccccc3)C[C@H]2CC(C)C)n1 ZINC000863655998 1329571112 /nfs/dbraw/zinc/57/11/12/1329571112.db2.gz JUUOAGAPFZTLAT-QZTJIDSGSA-N 2 0 342.487 3.441 10 0 EGAERP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc([C@H](C)C[NH2+]C)no1 ZINC000863657848 1329571123 /nfs/dbraw/zinc/57/11/23/1329571123.db2.gz XBLUUMYAPFHDCD-KBAYOESNSA-N 2 0 342.487 3.408 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865415896 1329694168 /nfs/dbraw/zinc/69/41/68/1329694168.db2.gz QJRIVLWEZFPTDT-HUUCEWRRSA-N 2 0 331.460 3.381 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C[C@@H](C)O1 ZINC000865470429 1329701997 /nfs/dbraw/zinc/70/19/97/1329701997.db2.gz BBXIXEKBMCSRDP-HZPDHXFCSA-N 2 0 345.462 3.353 10 0 EGAERP COc1cc2c(c(C[NH2+]C3CCC(C)([NH+](C)C)CC3)c1)O[C@H](C)C2 ZINC000865765942 1329736499 /nfs/dbraw/zinc/73/64/99/1329736499.db2.gz TWGBDYTUNVYYQX-FNMUINPESA-N 2 0 332.488 3.371 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[NH+]1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933734031 1329918006 /nfs/dbraw/zinc/91/80/06/1329918006.db2.gz MZYUWKCTQGANGX-NQIIRXRSSA-N 2 0 340.515 3.399 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000866261403 1330086701 /nfs/dbraw/zinc/08/67/01/1330086701.db2.gz SSEUQENUIOAGQE-OXJNMPFZSA-N 2 0 333.495 3.066 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc2c(c1)CCC(=O)N2 ZINC000866515486 1330120602 /nfs/dbraw/zinc/12/06/02/1330120602.db2.gz DCWSNXTZGSJYJD-FNMUINPESA-N 2 0 329.488 3.485 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000866705394 1330143009 /nfs/dbraw/zinc/14/30/09/1330143009.db2.gz ZARJDTDKIZPTNV-HXUWFJFHSA-N 2 0 342.487 3.366 10 0 EGAERP C[N@H+](CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C1CCCCC1 ZINC000868188357 1330260595 /nfs/dbraw/zinc/26/05/95/1330260595.db2.gz VSMWEHHYXJDPLB-RBUKOAKNSA-N 2 0 344.503 3.277 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001322998752 1387263193 /nfs/dbraw/zinc/26/31/93/1387263193.db2.gz CSCQOHLUQIXRLU-SLFFLAALSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323016692 1387266835 /nfs/dbraw/zinc/26/68/35/1387266835.db2.gz YPWUIWRJNNXUEN-MOPGFXCFSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)c1ccccc1 ZINC001323443516 1387370643 /nfs/dbraw/zinc/37/06/43/1387370643.db2.gz NVIQGJNFLDSFLG-IPMKNSEASA-N 2 0 343.515 3.106 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001323705018 1387424459 /nfs/dbraw/zinc/42/44/59/1387424459.db2.gz NFSQNUFMJDKKFS-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324097636 1387540213 /nfs/dbraw/zinc/54/02/13/1387540213.db2.gz LUNQPCGKLZUBLG-FUHWJXTLSA-N 2 0 349.544 3.093 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+](CC3CC(C)C3)C2)C1 ZINC001324557339 1387672959 /nfs/dbraw/zinc/67/29/59/1387672959.db2.gz PMNGAMXBGJQCPS-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001324774640 1387767576 /nfs/dbraw/zinc/76/75/76/1387767576.db2.gz ALTLJOKWWIDBBY-FPOVZHCZSA-N 2 0 349.563 3.127 10 0 EGAERP CC1(C)CC[C@@H](C[N@@H+]2C[C@H]3C[NH+](Cc4ccccc4)C[C@H]3C2)OC1 ZINC001193990746 1368162225 /nfs/dbraw/zinc/16/22/25/1368162225.db2.gz QHLKCFIBIHZFMT-ZCNNSNEGSA-N 2 0 328.500 3.255 10 0 EGAERP CC[C@@]1([NH2+]CCC[NH+]2CCC(Cc3ccccc3)CC2)CCOC1 ZINC001194083514 1368180066 /nfs/dbraw/zinc/18/00/66/1368180066.db2.gz TYFADUHHYBTQLL-OAQYLSRUSA-N 2 0 330.516 3.490 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778127 1388045205 /nfs/dbraw/zinc/04/52/05/1388045205.db2.gz CBPAHXRLVGFACJ-MKXGPGLRSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001326567482 1388242442 /nfs/dbraw/zinc/24/24/42/1388242442.db2.gz STFKEUXUDNLTES-VAMGGRTRSA-N 2 0 349.563 3.338 10 0 EGAERP CC/C=C\CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001327225669 1388452596 /nfs/dbraw/zinc/45/25/96/1388452596.db2.gz QQHDOMPFWRMIER-WYNBNGFRSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265707714 1377162736 /nfs/dbraw/zinc/16/27/36/1377162736.db2.gz FAJSAPOBRUAUAN-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266144167 1377206420 /nfs/dbraw/zinc/20/64/20/1377206420.db2.gz MKCBZHRZILFMCE-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001266222628 1377234513 /nfs/dbraw/zinc/23/45/13/1377234513.db2.gz DRICZYMVEHSALA-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001266606717 1377342319 /nfs/dbraw/zinc/34/23/19/1377342319.db2.gz BDPUFLKIYWAIDL-PXNSSMCTSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853818 1377395199 /nfs/dbraw/zinc/39/51/99/1377395199.db2.gz UJTUVOHBFKYLOQ-ZMBJWTFHSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001266856138 1377396620 /nfs/dbraw/zinc/39/66/20/1377396620.db2.gz KCJXHOIXCFJHGA-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266856211 1377396894 /nfs/dbraw/zinc/39/68/94/1377396894.db2.gz LNYUPAGBTKFGSP-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)CCC[NH+]1CCCC1 ZINC001268761170 1377526727 /nfs/dbraw/zinc/52/67/27/1377526727.db2.gz ZXLSZSZFGDASIE-JLAWEPINSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001269740513 1377568609 /nfs/dbraw/zinc/56/86/09/1377568609.db2.gz GDAMHCXYKBATIG-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277473309 1378226119 /nfs/dbraw/zinc/22/61/19/1378226119.db2.gz BXUBPIPOHLJCKJ-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCC(C)(C)C ZINC001277582653 1378234384 /nfs/dbraw/zinc/23/43/84/1378234384.db2.gz RDHLPDQPQIOPGL-MSOLQXFVSA-N 2 0 339.568 3.418 10 0 EGAERP Cc1cc(NC(=O)C2CC[NH+](CC(C)C)CC2)ccc1C[NH+](C)C ZINC001142010247 1378404443 /nfs/dbraw/zinc/40/44/43/1378404443.db2.gz OMMNTKNPNVCMRJ-UHFFFAOYSA-N 2 0 331.504 3.363 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001281939463 1378460046 /nfs/dbraw/zinc/46/00/46/1378460046.db2.gz GOJAXDKYRAKUNM-CEXWTWQISA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1)c1ccccc1 ZINC001282619464 1378518557 /nfs/dbraw/zinc/51/85/57/1378518557.db2.gz VEUNDUDNXMZDPN-KRWDZBQOSA-N 2 0 331.504 3.108 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001282619404 1378518893 /nfs/dbraw/zinc/51/88/93/1378518893.db2.gz SQNTZTJUZTXKDN-AATRIKPKSA-N 2 0 349.563 3.483 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282677747 1378547463 /nfs/dbraw/zinc/54/74/63/1378547463.db2.gz GPJRDIHSMVDIED-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001282678611 1378551670 /nfs/dbraw/zinc/55/16/70/1378551670.db2.gz WZKVCYMJJFOQTI-SGSXCFNPSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001282834989 1378637242 /nfs/dbraw/zinc/63/72/42/1378637242.db2.gz YBRRNBDHKAHRJK-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CN(C(=O)c1ccc(C[NH+]2CCCC2)o1)C1CC[NH+](C)CC1 ZINC001144221131 1378700248 /nfs/dbraw/zinc/70/02/48/1378700248.db2.gz WTHARYOLKLEGIV-UHFFFAOYSA-N 2 0 347.503 3.068 10 0 EGAERP C[C@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001283174798 1378752913 /nfs/dbraw/zinc/75/29/13/1378752913.db2.gz ZWAOCXYTYHULCN-SJLPKXTDSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001283186349 1378755829 /nfs/dbraw/zinc/75/58/29/1378755829.db2.gz OAOWAVXQDXCQGE-HZPDHXFCSA-N 2 0 349.494 3.246 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001283434605 1378926513 /nfs/dbraw/zinc/92/65/13/1378926513.db2.gz RFKYUYZXLRKHFU-IBGZPJMESA-N 2 0 345.531 3.498 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001283617984 1379056197 /nfs/dbraw/zinc/05/61/97/1379056197.db2.gz OIXAWGOYBLMBAA-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001283679531 1379108780 /nfs/dbraw/zinc/10/87/80/1379108780.db2.gz WUYFSQWFIMBWTR-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCC(C)(C)CC1)CC2 ZINC001284066614 1379423427 /nfs/dbraw/zinc/42/34/27/1379423427.db2.gz HSUNDEBBTRNPBE-RXVVDRJESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC001151359501 1379704855 /nfs/dbraw/zinc/70/48/55/1379704855.db2.gz NZQOLTXSVJFWEO-UXHICEINSA-N 2 0 345.531 3.134 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC001151359500 1379704934 /nfs/dbraw/zinc/70/49/34/1379704934.db2.gz NZQOLTXSVJFWEO-PMACEKPBSA-N 2 0 345.531 3.134 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001284348164 1379746680 /nfs/dbraw/zinc/74/66/80/1379746680.db2.gz JFVZXAPTIJDPCV-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCC1CC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001284644147 1380051619 /nfs/dbraw/zinc/05/16/19/1380051619.db2.gz ZIBMIPNPKDXEIM-LJQANCHMSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001284654370 1380070618 /nfs/dbraw/zinc/07/06/18/1380070618.db2.gz YRWNLGGWDCEWHY-MRXNPFEDSA-N 2 0 325.541 3.029 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001284976360 1380334820 /nfs/dbraw/zinc/33/48/20/1380334820.db2.gz FIOZOIXBGGJPOV-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP CC1(C)C[N@H+](CC2CCC2)CC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001328114361 1388677189 /nfs/dbraw/zinc/67/71/89/1388677189.db2.gz QJESFQLGQUIGKZ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001158547909 1381292445 /nfs/dbraw/zinc/29/24/45/1381292445.db2.gz YNUJVOTZMOSLCH-IBGZPJMESA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001328283790 1388714476 /nfs/dbraw/zinc/71/44/76/1388714476.db2.gz MMIJBQXGJUNMPI-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)C1 ZINC001292851385 1382220659 /nfs/dbraw/zinc/22/06/59/1382220659.db2.gz XXVVDHZZTLXLNE-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](CCC(C)C)CC1CCN(C(=O)C[C@H](C)n2ccnc2)CC1 ZINC001328588442 1388783711 /nfs/dbraw/zinc/78/37/11/1388783711.db2.gz VSSTZHRBPSJGIP-SFHVURJKSA-N 2 0 348.535 3.441 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001328731817 1388829235 /nfs/dbraw/zinc/82/92/35/1388829235.db2.gz ALIYARNTJXRFOR-OALUTQOASA-N 2 0 346.519 3.359 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CC[NH+](CC=C(C)C)C2)C1 ZINC001328805412 1388872116 /nfs/dbraw/zinc/87/21/16/1388872116.db2.gz FBHYQICKUYHKGX-VQTJNVASSA-N 2 0 349.563 3.245 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2)c1ccccc1 ZINC001168337415 1383877004 /nfs/dbraw/zinc/87/70/04/1383877004.db2.gz FDUBZGIBQOIJJN-QRVBRYPASA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001316623284 1384488624 /nfs/dbraw/zinc/48/86/24/1384488624.db2.gz TZHLEJRUZVKMEA-MAEOIBBWSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668675 1384513173 /nfs/dbraw/zinc/51/31/73/1384513173.db2.gz JUPLDZCKDMHBGS-ROUUACIJSA-N 2 0 337.552 3.076 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1CC ZINC001316741947 1384556145 /nfs/dbraw/zinc/55/61/45/1384556145.db2.gz IFMGKDCBCQWXOI-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316774051 1384572314 /nfs/dbraw/zinc/57/23/14/1384572314.db2.gz IQSPRLXOBQPZHX-GHOSXJJBSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)[C@@H]1C)[NH+](C)C ZINC001316797523 1384588050 /nfs/dbraw/zinc/58/80/50/1384588050.db2.gz NBYDHSODKFZBMP-NEWSRXKRSA-N 2 0 337.552 3.122 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001316804449 1384593961 /nfs/dbraw/zinc/59/39/61/1384593961.db2.gz LOIHNOJVCOEFPQ-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001316806791 1384599168 /nfs/dbraw/zinc/59/91/68/1384599168.db2.gz RGNHHGCXPMOJRH-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCC1CCCCC1 ZINC001316897935 1384677022 /nfs/dbraw/zinc/67/70/22/1384677022.db2.gz ADQUNSNZSPDZTO-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316980386 1384738387 /nfs/dbraw/zinc/73/83/87/1384738387.db2.gz JFPOANRNUCJXJJ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316997931 1384755300 /nfs/dbraw/zinc/75/53/00/1384755300.db2.gz HVXSQLUXHSESLW-NUQYTELCSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001316999236 1384756686 /nfs/dbraw/zinc/75/66/86/1384756686.db2.gz UPJMRCRZKZVWOE-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC12CC[NH+](CCC1CC1)CC2 ZINC001317007520 1384770447 /nfs/dbraw/zinc/77/04/47/1384770447.db2.gz POOWPBBKDTXGKC-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCC2CC2)C1 ZINC001317046146 1384820975 /nfs/dbraw/zinc/82/09/75/1384820975.db2.gz XMAPQDJFSZGCRB-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001317117459 1384877194 /nfs/dbraw/zinc/87/71/94/1384877194.db2.gz VTCNCMSWNYMBAQ-KURKYZTESA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317167969 1384932712 /nfs/dbraw/zinc/93/27/12/1384932712.db2.gz XEVPJQDWQLMSTL-PKOBYXMFSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001317172160 1384938828 /nfs/dbraw/zinc/93/88/28/1384938828.db2.gz DULPNZZWYRZXAD-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001317195593 1384969653 /nfs/dbraw/zinc/96/96/53/1384969653.db2.gz QUCHFNMJIGIFGF-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC2CCC([NH2+]CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001317220423 1385000601 /nfs/dbraw/zinc/00/06/01/1385000601.db2.gz UWKZYGJYCLJCDE-VYMRPNJYSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCC1CCCC1 ZINC001317247932 1385020310 /nfs/dbraw/zinc/02/03/10/1385020310.db2.gz XUINQGUOUZVWBJ-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)[NH2+][C@@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001317255660 1385025888 /nfs/dbraw/zinc/02/58/88/1385025888.db2.gz BFBYNXXMQQLJFH-JLTOFOAXSA-N 2 0 348.450 3.038 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001317264806 1385034561 /nfs/dbraw/zinc/03/45/61/1385034561.db2.gz LRUOTNXHHDPUSF-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)c1 ZINC001317310380 1385074989 /nfs/dbraw/zinc/07/49/89/1385074989.db2.gz LWSMDJIOFNHLRM-IBGZPJMESA-N 2 0 345.531 3.379 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001317337470 1385089796 /nfs/dbraw/zinc/08/97/96/1385089796.db2.gz BNFFAPIRKYUOIR-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001317342986 1385094106 /nfs/dbraw/zinc/09/41/06/1385094106.db2.gz IYEVBCDGNMJPPH-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317350189 1385099814 /nfs/dbraw/zinc/09/98/14/1385099814.db2.gz KCJUAMBXKHDUPT-MSOLQXFVSA-N 2 0 335.536 3.234 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317357548 1385102821 /nfs/dbraw/zinc/10/28/21/1385102821.db2.gz KNMNLYVRQSGDRA-MOPGFXCFSA-N 2 0 349.563 3.460 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001317380794 1385107966 /nfs/dbraw/zinc/10/79/66/1385107966.db2.gz HMYYZRFZPBGBQN-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001317411067 1385122105 /nfs/dbraw/zinc/12/21/05/1385122105.db2.gz BGKGSTQOWCROOU-IEBWSBKVSA-N 2 0 345.531 3.136 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC(C)C ZINC001317435086 1385138467 /nfs/dbraw/zinc/13/84/67/1385138467.db2.gz PIENXHVETIUZBF-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)Cc1cccc(F)c1 ZINC001317454260 1385152513 /nfs/dbraw/zinc/15/25/13/1385152513.db2.gz ZIHIDJLBZICLPV-UHFFFAOYSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@H+](CCNC(=O)Cn1cncc1C)[C@@H](C)c1cc(C)ccc1C ZINC001317485786 1385183088 /nfs/dbraw/zinc/18/30/88/1385183088.db2.gz ZJFAPHAQTPNINM-SFHVURJKSA-N 2 0 342.487 3.008 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317504710 1385210570 /nfs/dbraw/zinc/21/05/70/1385210570.db2.gz IGQCSNNJFUNALG-MGBKSAOESA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505328 1385211354 /nfs/dbraw/zinc/21/13/54/1385211354.db2.gz KSYSQYFACPXGMH-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317531840 1385258445 /nfs/dbraw/zinc/25/84/45/1385258445.db2.gz FQOMBOVFNRJZML-OALUTQOASA-N 2 0 345.531 3.226 10 0 EGAERP O=C(NCC[N@H+](CCC1CCCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001317558298 1385331513 /nfs/dbraw/zinc/33/15/13/1385331513.db2.gz RZUGFBMDHIXHEB-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001317664094 1385375014 /nfs/dbraw/zinc/37/50/14/1385375014.db2.gz JDRXMOHDCYDITQ-UHFFFAOYSA-N 2 0 341.499 3.036 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001317811992 1385511911 /nfs/dbraw/zinc/51/19/11/1385511911.db2.gz TYVFBXSEFUVPGV-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317842448 1385529337 /nfs/dbraw/zinc/52/93/37/1385529337.db2.gz RIEVUSNMDXJWQY-QGZVFWFLSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854529 1385537955 /nfs/dbraw/zinc/53/79/55/1385537955.db2.gz OYDHGJLDHYAZCB-APWZRJJASA-N 2 0 349.494 3.009 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001318403419 1385674938 /nfs/dbraw/zinc/67/49/38/1385674938.db2.gz RPRRRRNOKCHKIN-QZTJIDSGSA-N 2 0 337.552 3.218 10 0 EGAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001318485077 1385717865 /nfs/dbraw/zinc/71/78/65/1385717865.db2.gz ODHNFSHNAXGRGF-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@H](C)c2cccc(F)c2)CCCC1 ZINC001318672018 1385829716 /nfs/dbraw/zinc/82/97/16/1385829716.db2.gz VQGJNXRRJZCRJS-MRXNPFEDSA-N 2 0 349.494 3.246 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001318806068 1385858519 /nfs/dbraw/zinc/85/85/19/1385858519.db2.gz TTYNSSRLAXGXKX-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@H](C)CC)CC1 ZINC001318895774 1385872839 /nfs/dbraw/zinc/87/28/39/1385872839.db2.gz JEMVIKOYOFRDDU-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001319019625 1385929722 /nfs/dbraw/zinc/92/97/22/1385929722.db2.gz YNTFWPJHJYSGAG-LJQANCHMSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001319285036 1386042575 /nfs/dbraw/zinc/04/25/75/1386042575.db2.gz JDXRSGRDNDZIIC-CABCVRRESA-N 2 0 339.911 3.083 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001319362499 1386079477 /nfs/dbraw/zinc/07/94/77/1386079477.db2.gz VHJSOJNLYASUHQ-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CCCC2)C2CCCCC2)C1 ZINC001319663805 1386242200 /nfs/dbraw/zinc/24/22/00/1386242200.db2.gz PESNMMCJWFQZGY-UYAOXDASSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CCCCC2)C1 ZINC001319663804 1386242238 /nfs/dbraw/zinc/24/22/38/1386242238.db2.gz PESNMMCJWFQZGY-QUCCMNQESA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319787378 1386296362 /nfs/dbraw/zinc/29/63/62/1386296362.db2.gz GHSOZCLUCVDHRG-OJBOGMDESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001319890043 1386367669 /nfs/dbraw/zinc/36/76/69/1386367669.db2.gz IPJBBRLCCVDQED-OALUTQOASA-N 2 0 349.563 3.386 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915848 1386387676 /nfs/dbraw/zinc/38/76/76/1386387676.db2.gz CAOIPUBZFTUNJX-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C)C1 ZINC001319934944 1386401468 /nfs/dbraw/zinc/40/14/68/1386401468.db2.gz GTJVPHFIBFVEIQ-ROUUACIJSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948585 1386412141 /nfs/dbraw/zinc/41/21/41/1386412141.db2.gz YGDFYKISAVFFMN-MSOLQXFVSA-N 2 0 339.568 3.416 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001319969360 1386426460 /nfs/dbraw/zinc/42/64/60/1386426460.db2.gz YHOZLWIWBLYKMP-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320069223 1386489443 /nfs/dbraw/zinc/48/94/43/1386489443.db2.gz TUPYZTDFPVRXPB-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001320420664 1386604843 /nfs/dbraw/zinc/60/48/43/1386604843.db2.gz AEWHKYRYKNXCIC-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001320420580 1386605060 /nfs/dbraw/zinc/60/50/60/1386605060.db2.gz HIWFKJDPCKDMGC-SQGPQFPESA-N 2 0 345.531 3.135 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320562671 1386651324 /nfs/dbraw/zinc/65/13/24/1386651324.db2.gz LAKMGDACGUFOAA-OALUTQOASA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001320644827 1386677502 /nfs/dbraw/zinc/67/75/02/1386677502.db2.gz OCOHJEMTAJBCSX-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001320644819 1386677641 /nfs/dbraw/zinc/67/76/41/1386677641.db2.gz OCOHJEMTAJBCSX-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001698670198 1406320147 /nfs/dbraw/zinc/32/01/47/1406320147.db2.gz ATBNBEBNXLBSTI-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321207310 1386842052 /nfs/dbraw/zinc/84/20/52/1386842052.db2.gz FDGLMRMQRRWHJV-RURPWVQCSA-N 2 0 333.520 3.012 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](CC[NH2+]CCC3CC3)C2)CC1 ZINC001698684283 1406331131 /nfs/dbraw/zinc/33/11/31/1406331131.db2.gz YWGYFZBMLOVANT-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001322157303 1387080619 /nfs/dbraw/zinc/08/06/19/1387080619.db2.gz PISLAIHLVUXXHI-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001322175331 1387088850 /nfs/dbraw/zinc/08/88/50/1387088850.db2.gz JUZHJWUPOAQCJV-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1CCCCC1 ZINC001322193153 1387095583 /nfs/dbraw/zinc/09/55/83/1387095583.db2.gz JOJVHIUIJLEIIQ-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001698704674 1406346640 /nfs/dbraw/zinc/34/66/40/1406346640.db2.gz XJZQURGIUZMWEN-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001322852607 1387246784 /nfs/dbraw/zinc/24/67/84/1387246784.db2.gz SGGSPNPPWQDKLI-VQTJNVASSA-N 2 0 345.531 3.450 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCCC1)[NH+](C)C ZINC001329829615 1389233340 /nfs/dbraw/zinc/23/33/40/1389233340.db2.gz RAZODTNJQYGKDF-LJQANCHMSA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CCCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001329937667 1389266042 /nfs/dbraw/zinc/26/60/42/1389266042.db2.gz NPXRIYWEYKZSAN-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](c1ccccc1F)[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001330072392 1389299719 /nfs/dbraw/zinc/29/97/19/1389299719.db2.gz SXWSMJSIHVWOCW-JKSUJKDBSA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698730053 1406379990 /nfs/dbraw/zinc/37/99/90/1406379990.db2.gz TZXABIBLMKZNED-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001330811165 1389534549 /nfs/dbraw/zinc/53/45/49/1389534549.db2.gz JKXFNIBJBHZMAS-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001331075263 1389622277 /nfs/dbraw/zinc/62/22/77/1389622277.db2.gz UAYHHFWIUWXVIW-HXUWFJFHSA-N 2 0 345.531 3.401 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331440192 1389749530 /nfs/dbraw/zinc/74/95/30/1389749530.db2.gz RDLVJECLSMPCEZ-PKOBYXMFSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001331439955 1389749614 /nfs/dbraw/zinc/74/96/14/1389749614.db2.gz PTILJTROUJONFK-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC(C)(C)C ZINC001331470739 1389761866 /nfs/dbraw/zinc/76/18/66/1389761866.db2.gz RIPUDZKLEJVUHJ-FUHWJXTLSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001332089619 1389977674 /nfs/dbraw/zinc/97/76/74/1389977674.db2.gz KGKQQCUFOJPRER-WSTZPKSXSA-N 2 0 335.536 3.163 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCCCC1)CC2 ZINC001332109288 1389987508 /nfs/dbraw/zinc/98/75/08/1389987508.db2.gz FSUUIHYJUUXBCA-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCC1CCCC1)CC2 ZINC001332108980 1389987731 /nfs/dbraw/zinc/98/77/31/1389987731.db2.gz DKDUPDWMWAMMIE-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001332116020 1389993411 /nfs/dbraw/zinc/99/34/11/1389993411.db2.gz GQAZKDFLRCJNMM-FPOVZHCZSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332343537 1390092093 /nfs/dbraw/zinc/09/20/93/1390092093.db2.gz ZBYCTCLFBWYGQR-XLIONFOSSA-N 2 0 345.531 3.282 10 0 EGAERP CC(C)C[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001332404872 1390108011 /nfs/dbraw/zinc/10/80/11/1390108011.db2.gz MXRVTPCAGTWEEY-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]CCc1ccns1 ZINC001332883720 1390208934 /nfs/dbraw/zinc/20/89/34/1390208934.db2.gz AZHLKFOULIJGGD-HZPDHXFCSA-N 2 0 329.513 3.432 10 0 EGAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CCCC(C)C)CC2)CC1)[NH+](C)C ZINC001333180405 1390262188 /nfs/dbraw/zinc/26/21/88/1390262188.db2.gz QSEWRGYXTPERPJ-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001333457731 1390308328 /nfs/dbraw/zinc/30/83/28/1390308328.db2.gz MEDMWNUHDWAPSX-HDICACEKSA-N 2 0 347.547 3.188 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001344378841 1390787947 /nfs/dbraw/zinc/78/79/47/1390787947.db2.gz XFBRCAZXLFXLAX-UHFFFAOYSA-N 2 0 326.488 3.299 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798522 1406470474 /nfs/dbraw/zinc/47/04/74/1406470474.db2.gz QIJUHGRAADRILR-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CCCCC2)CC1)[NH+](C)C ZINC001486441723 1391008463 /nfs/dbraw/zinc/00/84/63/1391008463.db2.gz WQDRFMFFDQCILM-APWZRJJASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001698804510 1406484465 /nfs/dbraw/zinc/48/44/65/1406484465.db2.gz VQZKAMLPVLWEFY-QZTJIDSGSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)C[C@H](C)O1 ZINC001354496730 1392148630 /nfs/dbraw/zinc/14/86/30/1392148630.db2.gz XWGAMBNOIAETHY-RUYXUALKSA-N 2 0 338.536 3.014 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479316826 1392212607 /nfs/dbraw/zinc/21/26/07/1392212607.db2.gz WVKMVYSJULUHBR-CALCHBBNSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001479416459 1392239454 /nfs/dbraw/zinc/23/94/54/1392239454.db2.gz ISHFERCFYUMXCD-GUDVDZBRSA-N 2 0 345.531 3.189 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccccc2)C1)CC(C)(C)C ZINC001479476010 1392251891 /nfs/dbraw/zinc/25/18/91/1392251891.db2.gz PLNCYERNGNSILB-RBUKOAKNSA-N 2 0 345.531 3.039 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001479565819 1392277424 /nfs/dbraw/zinc/27/74/24/1392277424.db2.gz VPKBPJSYNNEZRM-QFTWQFLFSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001479614798 1392288293 /nfs/dbraw/zinc/28/82/93/1392288293.db2.gz SSSMBPIVDLYKHR-HOJAQTOUSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCC(C)C ZINC001479637367 1392300150 /nfs/dbraw/zinc/30/01/50/1392300150.db2.gz OTFYHHZTFBKMNA-GBESFXJTSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001479694714 1392325640 /nfs/dbraw/zinc/32/56/40/1392325640.db2.gz RGJOCRGYGDPOKA-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]2C)cc1 ZINC001479724610 1392339171 /nfs/dbraw/zinc/33/91/71/1392339171.db2.gz KZQRHCZCFFJIAE-LSTHTHJFSA-N 2 0 345.531 3.058 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001479739248 1392352280 /nfs/dbraw/zinc/35/22/80/1392352280.db2.gz VTZIUWCNIYULHF-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001479746987 1392363094 /nfs/dbraw/zinc/36/30/94/1392363094.db2.gz VTBSEQLDAMNOGQ-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001479877585 1392453618 /nfs/dbraw/zinc/45/36/18/1392453618.db2.gz VKNMDXJCQSYJAF-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965718 1392501411 /nfs/dbraw/zinc/50/14/11/1392501411.db2.gz LHZCFICKTBNKKI-SJLPKXTDSA-N 2 0 346.519 3.139 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001480051388 1392551939 /nfs/dbraw/zinc/55/19/39/1392551939.db2.gz QIILDZPTZQDXRD-FXAWDEMLSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085157 1392574660 /nfs/dbraw/zinc/57/46/60/1392574660.db2.gz QBDKFABXYDDITM-IAGOWNOFSA-N 2 0 349.494 3.009 10 0 EGAERP C[N@H+](CC1CCC1)C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480088702 1392578782 /nfs/dbraw/zinc/57/87/82/1392578782.db2.gz CHALOGXPNLDHPR-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480118491 1392592972 /nfs/dbraw/zinc/59/29/72/1392592972.db2.gz FFZDKSVMAYJUAP-YJJPMGAVSA-N 2 0 343.515 3.299 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480122278 1392595318 /nfs/dbraw/zinc/59/53/18/1392595318.db2.gz ZTLXECANAGRIBD-ZBWOGFRMSA-N 2 0 349.563 3.434 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480190262 1392619761 /nfs/dbraw/zinc/61/97/61/1392619761.db2.gz YTEMQRRAKKWKSI-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001480238191 1392631282 /nfs/dbraw/zinc/63/12/82/1392631282.db2.gz AWRXQJBTBIPCGC-HSALFYBXSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001480256534 1392641047 /nfs/dbraw/zinc/64/10/47/1392641047.db2.gz DCWUDGALHKQGKI-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480296711 1392664588 /nfs/dbraw/zinc/66/45/88/1392664588.db2.gz DAXVJFODMJHQKV-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001480461840 1392759635 /nfs/dbraw/zinc/75/96/35/1392759635.db2.gz OWRGZYDBDSZSJB-KRWDZBQOSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001480662732 1392841342 /nfs/dbraw/zinc/84/13/42/1392841342.db2.gz YODOFBHUNPUVPA-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480695570 1392859352 /nfs/dbraw/zinc/85/93/52/1392859352.db2.gz OZQYGGGJVDDNDW-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001480730956 1392894013 /nfs/dbraw/zinc/89/40/13/1392894013.db2.gz NCASKKCRVNMQKI-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)[C@@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480742604 1392908393 /nfs/dbraw/zinc/90/83/93/1392908393.db2.gz OIMFPZUTFYFFHA-RBUKOAKNSA-N 2 0 345.531 3.319 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001480833529 1392974119 /nfs/dbraw/zinc/97/41/19/1392974119.db2.gz UQRRLIPWVQCSFR-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001480952208 1393043366 /nfs/dbraw/zinc/04/33/66/1393043366.db2.gz ZOUKCJBTHGKFBE-QUCCMNQESA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001481043825 1393104509 /nfs/dbraw/zinc/10/45/09/1393104509.db2.gz GDJNLAPMFLLBRP-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001481343007 1393168788 /nfs/dbraw/zinc/16/87/88/1393168788.db2.gz KZKDBLVVSMICND-GOSISDBHSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001698927635 1406663667 /nfs/dbraw/zinc/66/36/67/1406663667.db2.gz GAERBJFTGJNMNF-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001698934490 1406673259 /nfs/dbraw/zinc/67/32/59/1406673259.db2.gz XYCDFJBSYUXTIN-HKUYNNGSSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC1CCC(C)(C)CC1)C1CC1 ZINC001490380904 1394208764 /nfs/dbraw/zinc/20/87/64/1394208764.db2.gz LDVFOWPHACSICC-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001490594921 1394277757 /nfs/dbraw/zinc/27/77/57/1394277757.db2.gz JURWMDMVVJMGPN-GOSISDBHSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464714 1394321599 /nfs/dbraw/zinc/32/15/99/1394321599.db2.gz LPDAJQOJFFLHLG-AZUAARDMSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+](CC)CC ZINC001490770632 1394333028 /nfs/dbraw/zinc/33/30/28/1394333028.db2.gz DGZYNQPWADTWHR-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CC2CCC2)C1)[NH+](CC)CC ZINC001490770631 1394333256 /nfs/dbraw/zinc/33/32/56/1394333256.db2.gz DGZYNQPWADTWHR-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001698949710 1406689576 /nfs/dbraw/zinc/68/95/76/1406689576.db2.gz JLGIDTQXKRVLEY-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481633580 1394426466 /nfs/dbraw/zinc/42/64/66/1394426466.db2.gz ZLVASSKOKDQTLO-VOTSOKGWSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001491112295 1394433016 /nfs/dbraw/zinc/43/30/16/1394433016.db2.gz VXHWHSYISGCPRV-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001481696730 1394457841 /nfs/dbraw/zinc/45/78/41/1394457841.db2.gz QZECOAOBNCNWGR-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1c(C(=O)N(C)[C@H]2CC[N@@H+](CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001481732839 1394481442 /nfs/dbraw/zinc/48/14/42/1394481442.db2.gz WVEYAZMFTHXJJA-SFHVURJKSA-N 2 0 342.487 3.225 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001491258430 1394493992 /nfs/dbraw/zinc/49/39/92/1394493992.db2.gz CMXSADRNENMIOY-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001491269617 1394498462 /nfs/dbraw/zinc/49/84/62/1394498462.db2.gz IEOJYCSWQCJMSI-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CCN(C(=O)[C@@]12CC[NH+](C1)CCC2)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481779600 1394524421 /nfs/dbraw/zinc/52/44/21/1394524421.db2.gz UNTHVXZOVOEWOL-NQIIRXRSSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481816419 1394543327 /nfs/dbraw/zinc/54/33/27/1394543327.db2.gz LPBSRROSTPIWCR-WOJBJXKFSA-N 2 0 345.531 3.162 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001481983530 1394644483 /nfs/dbraw/zinc/64/44/83/1394644483.db2.gz STBLVPWQXXPPAR-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001481998697 1394657681 /nfs/dbraw/zinc/65/76/81/1394657681.db2.gz GOKMJYLGKZNWKJ-LJQANCHMSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001482137937 1394765232 /nfs/dbraw/zinc/76/52/32/1394765232.db2.gz SXFUQFADDQTEMV-WMZOPIPTSA-N 2 0 345.531 3.048 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222489 1394816548 /nfs/dbraw/zinc/81/65/48/1394816548.db2.gz MNOOFMBUFCANML-MOPGFXCFSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001482233924 1394829844 /nfs/dbraw/zinc/82/98/44/1394829844.db2.gz QVRKELONZOVQKP-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001482244150 1394840857 /nfs/dbraw/zinc/84/08/57/1394840857.db2.gz YHJWSAUGGDRZKR-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482385062 1394945023 /nfs/dbraw/zinc/94/50/23/1394945023.db2.gz YVSHIYNPIHYYHT-GOSISDBHSA-N 2 0 337.552 3.338 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C)cc1 ZINC001482458765 1395017230 /nfs/dbraw/zinc/01/72/30/1395017230.db2.gz NDYYFOTVSWFGQG-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501629 1395054285 /nfs/dbraw/zinc/05/42/85/1395054285.db2.gz RGVUZKKYUUZEQR-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484165966 1395304260 /nfs/dbraw/zinc/30/42/60/1395304260.db2.gz FDTPWCPGTOJKST-HOHWPDKRSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001484397032 1395366722 /nfs/dbraw/zinc/36/67/22/1395366722.db2.gz YBAPLFRDPZNXGZ-UAFMIMERSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C(C)C ZINC001698980784 1406756717 /nfs/dbraw/zinc/75/67/17/1406756717.db2.gz NCLNNDBZBIZYOL-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001484728499 1395491555 /nfs/dbraw/zinc/49/15/55/1395491555.db2.gz QCESXRDMOMRZFM-GNAXCBTBSA-N 2 0 335.536 3.189 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001484768834 1395526370 /nfs/dbraw/zinc/52/63/70/1395526370.db2.gz HVVMKRVBDDRKMA-GOSISDBHSA-N 2 0 333.520 3.177 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001484975849 1395614963 /nfs/dbraw/zinc/61/49/63/1395614963.db2.gz JNPHFHNYWDJJJN-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001485209658 1395706791 /nfs/dbraw/zinc/70/67/91/1395706791.db2.gz XYOBSBQAGNTONG-DLBZAZTESA-N 2 0 335.536 3.090 10 0 EGAERP CCCCCC[NH2+]C1CCC(N(C)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001485241424 1395734664 /nfs/dbraw/zinc/73/46/64/1395734664.db2.gz JRPQRMQJFJJNOJ-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001485260545 1395746552 /nfs/dbraw/zinc/74/65/52/1395746552.db2.gz RWFMSVCXARZRRK-DLBZAZTESA-N 2 0 343.531 3.072 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001698991929 1406784228 /nfs/dbraw/zinc/78/42/28/1406784228.db2.gz XIKZOUZNJOVKRQ-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001698994998 1406791743 /nfs/dbraw/zinc/79/17/43/1406791743.db2.gz XVVBKYVQMLJPGV-KRWDZBQOSA-N 2 0 347.547 3.387 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001485454794 1395924570 /nfs/dbraw/zinc/92/45/70/1395924570.db2.gz MFQDBSMVRHFGON-UHFFFAOYSA-N 2 0 349.494 3.076 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[NH+](CC2CCCCC2)CC1(C)C ZINC001485571318 1396037342 /nfs/dbraw/zinc/03/73/42/1396037342.db2.gz JHGFACSJIKNWGH-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485894898 1396161846 /nfs/dbraw/zinc/16/18/46/1396161846.db2.gz WMJABXBRQRUFSF-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CCC1=CCCCC1 ZINC001485961926 1396174316 /nfs/dbraw/zinc/17/43/16/1396174316.db2.gz VCVLEMNOWRMGFJ-SFHVURJKSA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CC3(CCC3)C1)CC2)[NH+](C)C ZINC001486146348 1396179724 /nfs/dbraw/zinc/17/97/24/1396179724.db2.gz MYGFFJADCAWLSS-WAOWUJCRSA-N 2 0 347.547 3.020 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001486222183 1396184535 /nfs/dbraw/zinc/18/45/35/1396184535.db2.gz XNPACCAPJPKYPI-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491964845 1396301245 /nfs/dbraw/zinc/30/12/45/1396301245.db2.gz CHZOMJQPODDJBW-OALUTQOASA-N 2 0 349.494 3.033 10 0 EGAERP C[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCCC1 ZINC001492050610 1396302226 /nfs/dbraw/zinc/30/22/26/1396302226.db2.gz UTVINMSISPHDBN-KRWDZBQOSA-N 2 0 335.536 3.070 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001492144308 1396308991 /nfs/dbraw/zinc/30/89/91/1396308991.db2.gz VDLZGQYKBYLDDT-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1cc(C)ccc1C ZINC001492973299 1396330606 /nfs/dbraw/zinc/33/06/06/1396330606.db2.gz XWIJBOVHOYFGEZ-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001494081741 1396356949 /nfs/dbraw/zinc/35/69/49/1396356949.db2.gz BZMLKLSSZYPCOO-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001494083059 1396357201 /nfs/dbraw/zinc/35/72/01/1396357201.db2.gz LUNMUVQYZKUFEU-DLBZAZTESA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001494146438 1396382453 /nfs/dbraw/zinc/38/24/53/1396382453.db2.gz RRIZWMJOJUJFMW-PMACEKPBSA-N 2 0 349.563 3.243 10 0 EGAERP O=C(NC1(C[NH2+]CC2CCCCCC2)CCCC1)C12CC[NH+](CC1)C2 ZINC001495204394 1396523816 /nfs/dbraw/zinc/52/38/16/1396523816.db2.gz UEKXGCUIAITRHB-UHFFFAOYSA-N 2 0 347.547 3.071 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001495601206 1396547683 /nfs/dbraw/zinc/54/76/83/1396547683.db2.gz DWYDKBOGAXHXOK-PHWHVTFISA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001495960306 1396578929 /nfs/dbraw/zinc/57/89/29/1396578929.db2.gz SIRGYLQSWIUDCO-FBQMEGEOSA-N 2 0 347.547 3.237 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001495963179 1396579470 /nfs/dbraw/zinc/57/94/70/1396579470.db2.gz DJYPQTUPMHPJJQ-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496053859 1396592114 /nfs/dbraw/zinc/59/21/14/1396592114.db2.gz CSCPCUMWENJBPG-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001496179555 1396620584 /nfs/dbraw/zinc/62/05/84/1396620584.db2.gz SXBWPILJJWQAAS-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001496403572 1396690904 /nfs/dbraw/zinc/69/09/04/1396690904.db2.gz KAJTWDIAFQVCBM-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001496414037 1396697458 /nfs/dbraw/zinc/69/74/58/1396697458.db2.gz JJXCDKJQVIWANI-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001497691192 1396785952 /nfs/dbraw/zinc/78/59/52/1396785952.db2.gz KLGKDMSTRNLSGS-IHHMQQGQSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]CC2CC2)CC1 ZINC001689055593 1396856302 /nfs/dbraw/zinc/85/63/02/1396856302.db2.gz JUVKRLPOQOAQFX-FXAWDEMLSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC=C(C)C)CC[C@@H]2C1 ZINC001689232606 1396984017 /nfs/dbraw/zinc/98/40/17/1396984017.db2.gz NYKWYEWNORDSOE-UXHICEINSA-N 2 0 349.563 3.245 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001689353950 1403685770 /nfs/dbraw/zinc/68/57/70/1403685770.db2.gz RPGADWNJEDYMPX-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001689810422 1404150811 /nfs/dbraw/zinc/15/08/11/1404150811.db2.gz ABLFXTQQMLGMRQ-MOPGFXCFSA-N 2 0 331.504 3.060 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccccc1C ZINC001689952214 1404223593 /nfs/dbraw/zinc/22/35/93/1404223593.db2.gz YGRLOCUWZXPWCN-OALUTQOASA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)CCC(C)(C)C ZINC001689970643 1404234836 /nfs/dbraw/zinc/23/48/36/1404234836.db2.gz WEPHUMIQLIZIFA-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108656 1404304638 /nfs/dbraw/zinc/30/46/38/1404304638.db2.gz KBGCAZCCEZHJKI-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001690205557 1404414216 /nfs/dbraw/zinc/41/42/16/1404414216.db2.gz PKMMJUIZALFOIF-HDICACEKSA-N 2 0 335.536 3.116 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001690260015 1404433963 /nfs/dbraw/zinc/43/39/63/1404433963.db2.gz PJTBWTQUPFDORD-RJCMGOLDSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690391035 1404529738 /nfs/dbraw/zinc/52/97/38/1404529738.db2.gz ZHFBOGKGEQVNJG-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690394060 1404536302 /nfs/dbraw/zinc/53/63/02/1404536302.db2.gz RPVXJZAOUPWBHE-SJORKVTESA-N 2 0 349.494 3.055 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690394380 1404536894 /nfs/dbraw/zinc/53/68/94/1404536894.db2.gz YRKLAXFXRVQCNO-OALUTQOASA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCC(C)CC1 ZINC001690457682 1404586455 /nfs/dbraw/zinc/58/64/55/1404586455.db2.gz PFTSZIWBKYMEDA-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001690471861 1404596462 /nfs/dbraw/zinc/59/64/62/1404596462.db2.gz WQYXDNGVWDKKDF-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001690487387 1404601748 /nfs/dbraw/zinc/60/17/48/1404601748.db2.gz RHRWYMATMQTWBG-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1)[NH+](C)C ZINC001690535372 1404625043 /nfs/dbraw/zinc/62/50/43/1404625043.db2.gz IKAOQFYYYIDHCQ-QMEOEDOASA-N 2 0 343.515 3.057 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001690542783 1404627555 /nfs/dbraw/zinc/62/75/55/1404627555.db2.gz CIFWEJQZTMGWRE-WAYWQWQTSA-N 2 0 349.563 3.480 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001690783745 1404730791 /nfs/dbraw/zinc/73/07/91/1404730791.db2.gz FVFOKBLITZFCHN-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690790573 1404736674 /nfs/dbraw/zinc/73/66/74/1404736674.db2.gz OPSGODYSNBWQSX-OALUTQOASA-N 2 0 335.536 3.236 10 0 EGAERP C[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCC1CCCCCC1 ZINC001690950755 1404859839 /nfs/dbraw/zinc/85/98/39/1404859839.db2.gz BHCBYERCGVAAJX-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001725409335 1426054741 /nfs/dbraw/zinc/05/47/41/1426054741.db2.gz UJKZERVUHAPQFB-INIZCTEOSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001690988459 1404904811 /nfs/dbraw/zinc/90/48/11/1404904811.db2.gz IHEAOMYKFYJFSC-KRWDZBQOSA-N 2 0 343.515 3.015 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001732002667 1428213309 /nfs/dbraw/zinc/21/33/09/1428213309.db2.gz NAVMNPQQMVZDKV-INIZCTEOSA-N 2 0 348.535 3.340 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691100720 1405039510 /nfs/dbraw/zinc/03/95/10/1405039510.db2.gz BXBPACVDJMIUCC-ZCNNSNEGSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001691117025 1405057538 /nfs/dbraw/zinc/05/75/38/1405057538.db2.gz GNELAIHVHHCXRQ-GBESFXJTSA-N 2 0 337.552 3.172 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001691178111 1405115366 /nfs/dbraw/zinc/11/53/66/1405115366.db2.gz MXWVGKCTNNPKDL-MKXGPGLRSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CCC1CCCC1)C1CC1 ZINC001691237352 1405177615 /nfs/dbraw/zinc/17/76/15/1405177615.db2.gz YEFOFRVZDCXLCX-IRXDYDNUSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725741408 1426417196 /nfs/dbraw/zinc/41/71/96/1426417196.db2.gz BVJXTUJPXCIXPU-SFHVURJKSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691358688 1405213203 /nfs/dbraw/zinc/21/32/03/1405213203.db2.gz QIJKBEFPNFUYFV-QYZOEREBSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001691382164 1405221021 /nfs/dbraw/zinc/22/10/21/1405221021.db2.gz JYGBGCZIOCPLNO-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001691416910 1405255492 /nfs/dbraw/zinc/25/54/92/1405255492.db2.gz QWYKKWOLHIEBPY-VQTJNVASSA-N 2 0 347.547 3.140 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001691443501 1405271775 /nfs/dbraw/zinc/27/17/75/1405271775.db2.gz CNFMWNVKKOYSAN-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001691476820 1405293822 /nfs/dbraw/zinc/29/38/22/1405293822.db2.gz RIJWKQYKKLGODN-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1CC ZINC001691485610 1405297139 /nfs/dbraw/zinc/29/71/39/1405297139.db2.gz LRWNLLFXWXOJBS-ZWKOTPCHSA-N 2 0 337.552 3.409 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001691518213 1405317454 /nfs/dbraw/zinc/31/74/54/1405317454.db2.gz ICEAXSRYABOSQM-OTWHNJEPSA-N 2 0 337.552 3.410 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001691534282 1405327339 /nfs/dbraw/zinc/32/73/39/1405327339.db2.gz YHUCTRHUPDPENR-WTGUMLROSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001691689571 1405424052 /nfs/dbraw/zinc/42/40/52/1405424052.db2.gz HLZRWBULNJKYSP-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](C(=O)NC[C@H]([NH2+]CCCF)c1ccccc1)[NH+]1CCCCCC1 ZINC001691796213 1405507410 /nfs/dbraw/zinc/50/74/10/1405507410.db2.gz FXBRTZSVXXPTFI-HKUYNNGSSA-N 2 0 349.494 3.058 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001691805387 1405518267 /nfs/dbraw/zinc/51/82/67/1405518267.db2.gz JDCFCDLCSGZZBD-WOJBJXKFSA-N 2 0 345.531 3.354 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001691823303 1405539480 /nfs/dbraw/zinc/53/94/80/1405539480.db2.gz MVUFEXDCHLPLEQ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NCC[C@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001691893713 1405616739 /nfs/dbraw/zinc/61/67/39/1405616739.db2.gz UIEYFRWCKNGTFI-AZUAARDMSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001691937880 1405662856 /nfs/dbraw/zinc/66/28/56/1405662856.db2.gz FBIGRVJXKIDHQG-SLFFLAALSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001691959948 1405676729 /nfs/dbraw/zinc/67/67/29/1405676729.db2.gz HLLAWCROSJWNIB-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691960250 1405677529 /nfs/dbraw/zinc/67/75/29/1405677529.db2.gz NOUUBJUWXOYGDY-RURPWVQCSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691960331 1405677644 /nfs/dbraw/zinc/67/76/44/1405677644.db2.gz PAARJFMENXBUJA-FQQSSWHASA-N 2 0 349.563 3.386 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001691999654 1405715873 /nfs/dbraw/zinc/71/58/73/1405715873.db2.gz VIADXIJVCPLAAY-OALUTQOASA-N 2 0 345.531 3.177 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001692006018 1405723477 /nfs/dbraw/zinc/72/34/77/1405723477.db2.gz WSTDNHFHKRPLAD-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)CCC(C)C)CC1 ZINC001692013662 1405733413 /nfs/dbraw/zinc/73/34/13/1405733413.db2.gz MBOMOKDXDLZJBC-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)CC(C)(C)C1 ZINC001692280425 1405916301 /nfs/dbraw/zinc/91/63/01/1405916301.db2.gz WANSQANTDBOKOB-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1cccc(C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)C)c1 ZINC001732008199 1428220865 /nfs/dbraw/zinc/22/08/65/1428220865.db2.gz DFAPPAJKFNHXHY-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1c(C(=O)N[C@H]2CC[N@@H+](CCCC(C)C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001692372803 1405980998 /nfs/dbraw/zinc/98/09/98/1405980998.db2.gz OGTJTMSCHGBQPA-APWZRJJASA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001692390871 1405994681 /nfs/dbraw/zinc/99/46/81/1405994681.db2.gz INFVJLBTLNOUFP-AEFFLSMTSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698549291 1406147135 /nfs/dbraw/zinc/14/71/35/1406147135.db2.gz QIYIBQLADJLJMC-HCZHMGAMSA-N 2 0 343.515 3.299 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001698553883 1406152460 /nfs/dbraw/zinc/15/24/60/1406152460.db2.gz SVVQEXUBNHRNHS-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001698578414 1406188567 /nfs/dbraw/zinc/18/85/67/1406188567.db2.gz UKDZARVRYWRMBA-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001698582680 1406196245 /nfs/dbraw/zinc/19/62/45/1406196245.db2.gz TXMKNYQRYGBGKB-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC=C(C)C ZINC001698601304 1406226843 /nfs/dbraw/zinc/22/68/43/1406226843.db2.gz QKMBYJHHORGQJE-QZTJIDSGSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]CC1=CCCCC1)c1ccccc1 ZINC001732026029 1428244287 /nfs/dbraw/zinc/24/42/87/1428244287.db2.gz GSTDRRMNGQEHHQ-FQEVSTJZSA-N 2 0 343.515 3.274 10 0 EGAERP CC(C)(C(=O)NCC[C@@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001732052603 1428294448 /nfs/dbraw/zinc/29/44/48/1428294448.db2.gz JQCATDIZZUWZAK-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001732230889 1428477930 /nfs/dbraw/zinc/47/79/30/1428477930.db2.gz MGFLUYLSNZBFMR-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001732232971 1428479544 /nfs/dbraw/zinc/47/95/44/1428479544.db2.gz KGUGTLQGMJIHAL-RJCMGOLDSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@H+]2C)C1 ZINC001732271338 1428507465 /nfs/dbraw/zinc/50/74/65/1428507465.db2.gz FXILTTBFECOZMA-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]CCCC2CCCC2)C1 ZINC001732286378 1428514690 /nfs/dbraw/zinc/51/46/90/1428514690.db2.gz FGXXYMMENITFMX-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH2+]CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001732292032 1428516715 /nfs/dbraw/zinc/51/67/15/1428516715.db2.gz GPKHFJXVMPGJKL-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732328736 1428535660 /nfs/dbraw/zinc/53/56/60/1428535660.db2.gz OCNJXBBLSKZECV-XOIGSVRCSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001732405605 1428568906 /nfs/dbraw/zinc/56/89/06/1428568906.db2.gz UEBVWUJXJVCEGG-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001732427272 1428576551 /nfs/dbraw/zinc/57/65/51/1428576551.db2.gz GXKGDCHCZZAUOL-MJGOQNOKSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001732441132 1428582471 /nfs/dbraw/zinc/58/24/71/1428582471.db2.gz YNACTIHZBRKSOC-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@@H]1C ZINC001732500051 1428621087 /nfs/dbraw/zinc/62/10/87/1428621087.db2.gz NZSXUBHTAQLYTG-WMZOPIPTSA-N 2 0 349.519 3.362 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699101457 1412510259 /nfs/dbraw/zinc/51/02/59/1412510259.db2.gz WUOIDNDEIUKAES-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001699107611 1412513873 /nfs/dbraw/zinc/51/38/73/1412513873.db2.gz MMKGUJZXYAKYTM-AWEZNQCLSA-N 2 0 337.533 3.098 10 0 EGAERP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699140588 1412531454 /nfs/dbraw/zinc/53/14/54/1412531454.db2.gz LUGBMXDIKDOFMT-SJORKVTESA-N 2 0 349.494 3.075 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001699409365 1412722478 /nfs/dbraw/zinc/72/24/78/1412722478.db2.gz XAPYVNJSKFWQGR-ROUUACIJSA-N 2 0 343.515 3.026 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC2=CCCCC2)C1 ZINC001699416272 1412730517 /nfs/dbraw/zinc/73/05/17/1412730517.db2.gz ABJNJMFGPLWMRD-PKOBYXMFSA-N 2 0 335.536 3.093 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001699484766 1412880252 /nfs/dbraw/zinc/88/02/52/1412880252.db2.gz RBXGWKGWPWAKNY-IRXDYDNUSA-N 2 0 325.541 3.029 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001699484767 1412880504 /nfs/dbraw/zinc/88/05/04/1412880504.db2.gz RBXGWKGWPWAKNY-SJORKVTESA-N 2 0 325.541 3.029 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507816 1412896421 /nfs/dbraw/zinc/89/64/21/1412896421.db2.gz JMIXCGDCKODEBM-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001699508539 1412897387 /nfs/dbraw/zinc/89/73/87/1412897387.db2.gz BKZRYYBFCDMXIS-UHFFFAOYSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001699539858 1412913762 /nfs/dbraw/zinc/91/37/62/1412913762.db2.gz WAUMJTFCFQRYMQ-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001699605353 1412968324 /nfs/dbraw/zinc/96/83/24/1412968324.db2.gz IJFAGNCOLJWTJQ-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CC1 ZINC001699664927 1413050360 /nfs/dbraw/zinc/05/03/60/1413050360.db2.gz YVHQOXFZFJQIFE-LJQANCHMSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CC1)c1ccc(Cl)cc1 ZINC001699672208 1413062341 /nfs/dbraw/zinc/06/23/41/1413062341.db2.gz SPSNXKHFGSUSLW-QGZVFWFLSA-N 2 0 349.906 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001699697921 1413108629 /nfs/dbraw/zinc/10/86/29/1413108629.db2.gz VNRPMCDYVPXKLT-NJRZHNRPSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001699828177 1413256472 /nfs/dbraw/zinc/25/64/72/1413256472.db2.gz ZAZTUWDEGGQASQ-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001699876456 1413334698 /nfs/dbraw/zinc/33/46/98/1413334698.db2.gz YLACKDUFMSLEHK-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700091112 1413503598 /nfs/dbraw/zinc/50/35/98/1413503598.db2.gz LZPURVRZNTVMQU-KRWDZBQOSA-N 2 0 331.504 3.019 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+](CCCC1CCCC1)CC2 ZINC001700109521 1413529024 /nfs/dbraw/zinc/52/90/24/1413529024.db2.gz OEGZTYTXJNPDLJ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCC3=CCCCC3)CCC2)CC[N@@H+]1C ZINC001700137669 1413556243 /nfs/dbraw/zinc/55/62/43/1413556243.db2.gz ZQSPMDKBOPBBHC-HKUYNNGSSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001700158497 1413571087 /nfs/dbraw/zinc/57/10/87/1413571087.db2.gz WSCSVVFIVCWYKB-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](c1ccccc1Cl)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001700192722 1413624534 /nfs/dbraw/zinc/62/45/34/1413624534.db2.gz ZVMVTNCOOAGHEK-OAHLLOKOSA-N 2 0 339.911 3.133 10 0 EGAERP Cc1ccccc1C[NH+](C)CCCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001700195652 1413635613 /nfs/dbraw/zinc/63/56/13/1413635613.db2.gz VJLGACQYAGUDRN-KDURUIRLSA-N 2 0 345.531 3.148 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700203226 1413647209 /nfs/dbraw/zinc/64/72/09/1413647209.db2.gz QHYIUELSBZWVBM-XJDXJNMNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001732557721 1428745727 /nfs/dbraw/zinc/74/57/27/1428745727.db2.gz MLHBTLOCJOMGTQ-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001700224928 1413675883 /nfs/dbraw/zinc/67/58/83/1413675883.db2.gz OBUMVJFHGGFLEG-IAGOWNOFSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001700227697 1413683248 /nfs/dbraw/zinc/68/32/48/1413683248.db2.gz SNMVSAORJXFIBH-NYPGBQQYSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312432 1413767661 /nfs/dbraw/zinc/76/76/61/1413767661.db2.gz AJKSTGVUTFAFHL-SJLPKXTDSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001700373667 1413901817 /nfs/dbraw/zinc/90/18/17/1413901817.db2.gz SIDNDAITSZYYTL-JLAWEPINSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C)c1ccc(F)cc1 ZINC001732571207 1428766602 /nfs/dbraw/zinc/76/66/02/1428766602.db2.gz ZIZYSJZRWRSWBJ-MOPGFXCFSA-N 2 0 349.494 3.103 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001700402610 1413937793 /nfs/dbraw/zinc/93/77/93/1413937793.db2.gz CANNCUACTFFFSW-HZPDHXFCSA-N 2 0 337.552 3.312 10 0 EGAERP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001700487622 1414135800 /nfs/dbraw/zinc/13/58/00/1414135800.db2.gz MJPZCJWGRQPDIA-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1 ZINC001700508025 1414156017 /nfs/dbraw/zinc/15/60/17/1414156017.db2.gz XUERPTMOZKSIID-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001700514881 1414165785 /nfs/dbraw/zinc/16/57/85/1414165785.db2.gz YMNKBXYRNPJXRD-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001700531887 1414199322 /nfs/dbraw/zinc/19/93/22/1414199322.db2.gz QTHJBSXLCHIJPE-VQTJNVASSA-N 2 0 349.563 3.434 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700566728 1414235206 /nfs/dbraw/zinc/23/52/06/1414235206.db2.gz FIGUWRNYNQCRMV-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001700680729 1414334857 /nfs/dbraw/zinc/33/48/57/1414334857.db2.gz RQEDGFDRXZPVOX-GOSISDBHSA-N 2 0 345.531 3.101 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001700860236 1414508933 /nfs/dbraw/zinc/50/89/33/1414508933.db2.gz SDTFYPTZSJCPEP-LDBCMITESA-N 2 0 343.515 3.297 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCC1=CCCCC1)CC2 ZINC001700869883 1414523458 /nfs/dbraw/zinc/52/34/58/1414523458.db2.gz WQQXRTWSBYRVNN-TZIWHRDSSA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C)CC1 ZINC001700999189 1414650870 /nfs/dbraw/zinc/65/08/70/1414650870.db2.gz PKCZNQLKNHQSHJ-KRWDZBQOSA-N 2 0 339.568 3.275 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001701010810 1414669751 /nfs/dbraw/zinc/66/97/51/1414669751.db2.gz FZTPLZDEXKHODF-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001732597478 1428838843 /nfs/dbraw/zinc/83/88/43/1428838843.db2.gz NECDHRXGPDMHIX-OALUTQOASA-N 2 0 345.531 3.066 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001732604856 1428858586 /nfs/dbraw/zinc/85/85/86/1428858586.db2.gz GJFSFLROTDVUDY-YZBXUTEPSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001732728656 1428931901 /nfs/dbraw/zinc/93/19/01/1428931901.db2.gz KMLAPKVOIVYZFX-MSOLQXFVSA-N 2 0 345.531 3.136 10 0 EGAERP C[C@@H](CC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732718203 1428925117 /nfs/dbraw/zinc/92/51/17/1428925117.db2.gz CRQJUDJNKBBUQY-LNLFQRSKSA-N 2 0 335.536 3.092 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732774185 1428962264 /nfs/dbraw/zinc/96/22/64/1428962264.db2.gz SCXDSGVUMXKUOP-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732801009 1428980511 /nfs/dbraw/zinc/98/05/11/1428980511.db2.gz DXWNTVXGNWAVBZ-ROUUACIJSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001732852568 1429009851 /nfs/dbraw/zinc/00/98/51/1429009851.db2.gz SBLHNLWQNQNSGT-VOFKWLDRSA-N 2 0 349.563 3.338 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001732974218 1429101160 /nfs/dbraw/zinc/10/11/60/1429101160.db2.gz INVGMWCCHAATFF-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001707084852 1417192004 /nfs/dbraw/zinc/19/20/04/1417192004.db2.gz LPBBTPAOLMWBTN-DSBJASEKSA-N 2 0 347.547 3.234 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001707234834 1417255881 /nfs/dbraw/zinc/25/58/81/1417255881.db2.gz PMMUXTVJEMONLT-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001707242832 1417262747 /nfs/dbraw/zinc/26/27/47/1417262747.db2.gz XAVUCJRGPIRNEX-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001707253613 1417267205 /nfs/dbraw/zinc/26/72/05/1417267205.db2.gz XYUPUTLQJDLBLK-PDTMIUJASA-N 2 0 349.563 3.432 10 0 EGAERP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445683 1417349632 /nfs/dbraw/zinc/34/96/32/1417349632.db2.gz UQLKNMPYZYEVKI-CQOFWLJFSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@H](C)c1ccccc1C ZINC001707455194 1417358421 /nfs/dbraw/zinc/35/84/21/1417358421.db2.gz DGFAETUDXBXFOF-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C1CC1 ZINC001707479094 1417376610 /nfs/dbraw/zinc/37/66/10/1417376610.db2.gz USTNFMUYDCLEBF-GOSISDBHSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001712947301 1417507018 /nfs/dbraw/zinc/50/70/18/1417507018.db2.gz UMLWQTZBEKPSLX-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C(=O)NCCC[N@H+](C)[C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001712984147 1417536067 /nfs/dbraw/zinc/53/60/67/1417536067.db2.gz VDNCXTGWTGJDLJ-IEBWSBKVSA-N 2 0 333.520 3.143 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001712990938 1417542582 /nfs/dbraw/zinc/54/25/82/1417542582.db2.gz KCAULSNWDXLGPU-PKOBYXMFSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713004673 1417558709 /nfs/dbraw/zinc/55/87/09/1417558709.db2.gz RYQWQNXDYXNDKI-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001713098914 1417649529 /nfs/dbraw/zinc/64/95/29/1417649529.db2.gz YDYPPZYOWDDGPX-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713244762 1417830786 /nfs/dbraw/zinc/83/07/86/1417830786.db2.gz WATBSGWQADPVAR-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001713291775 1417919342 /nfs/dbraw/zinc/91/93/42/1417919342.db2.gz YMNZQCBFPFOYLU-UHFFFAOYSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H]2CCN(C(=O)CCC[NH+](C)C)C2)cc1 ZINC001713352914 1417970766 /nfs/dbraw/zinc/97/07/66/1417970766.db2.gz HZYNOQMRGSFULK-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001733069333 1429224816 /nfs/dbraw/zinc/22/48/16/1429224816.db2.gz ZWLUIOKFTZXJAU-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713396203 1418012208 /nfs/dbraw/zinc/01/22/08/1418012208.db2.gz XGTMWONYAYDTLD-IPLHWJFFSA-N 2 0 335.536 3.140 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001713436045 1418066934 /nfs/dbraw/zinc/06/69/34/1418066934.db2.gz CXSOEAFVPHFWGK-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001733101495 1429242652 /nfs/dbraw/zinc/24/26/52/1429242652.db2.gz YZQFVYJSEUSZKE-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001713514189 1418247499 /nfs/dbraw/zinc/24/74/99/1418247499.db2.gz VSPZAFHXIXHOSV-XLIONFOSSA-N 2 0 345.531 3.403 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515595 1418250188 /nfs/dbraw/zinc/25/01/88/1418250188.db2.gz XTCKJVUBBONVLT-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CCC1CCCCC1 ZINC001713609689 1418392603 /nfs/dbraw/zinc/39/26/03/1418392603.db2.gz PUNWMPLKTPGRBJ-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001713720385 1418492583 /nfs/dbraw/zinc/49/25/83/1418492583.db2.gz VEROSFRVWQRTHP-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713759212 1418565898 /nfs/dbraw/zinc/56/58/98/1418565898.db2.gz YJMPHNUKUDOENQ-HKUYNNGSSA-N 2 0 345.531 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001713775491 1418591669 /nfs/dbraw/zinc/59/16/69/1418591669.db2.gz LEQWABURKXZRAV-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001713782565 1418598713 /nfs/dbraw/zinc/59/87/13/1418598713.db2.gz RXTDTKWFPJHXKR-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713848545 1418644193 /nfs/dbraw/zinc/64/41/93/1418644193.db2.gz AXRYARFKOULMQP-HMECNJMJSA-N 2 0 347.547 3.045 10 0 EGAERP CCCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](CC2CCCC2)CC1 ZINC001713859073 1418656211 /nfs/dbraw/zinc/65/62/11/1418656211.db2.gz YBLWTDZDJJPSEZ-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)(C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCCC1 ZINC001733172456 1429275046 /nfs/dbraw/zinc/27/50/46/1429275046.db2.gz QPRATOJSCLATMY-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]([NH2+]CC1CCCC1)C1CC1 ZINC001713870032 1418666847 /nfs/dbraw/zinc/66/68/47/1418666847.db2.gz KHEWZPPDVJUXEZ-LJQANCHMSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713896855 1418694956 /nfs/dbraw/zinc/69/49/56/1418694956.db2.gz LEARCDVUBYTRBV-UXHICEINSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001713930489 1418721521 /nfs/dbraw/zinc/72/15/21/1418721521.db2.gz DBZREUFUMTVCOZ-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)cc1 ZINC001713936135 1418725468 /nfs/dbraw/zinc/72/54/68/1418725468.db2.gz PTTOTCSUWSWPGA-VDGAXYAQSA-N 2 0 343.515 3.108 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713975811 1418755826 /nfs/dbraw/zinc/75/58/26/1418755826.db2.gz NGCWGQKXLGDISZ-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC001713977651 1418758383 /nfs/dbraw/zinc/75/83/83/1418758383.db2.gz ILLVNFIEPNQFHI-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713977948 1418759390 /nfs/dbraw/zinc/75/93/90/1418759390.db2.gz KTBXLXVKNQFJMV-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714005433 1418785137 /nfs/dbraw/zinc/78/51/37/1418785137.db2.gz GAJWBZGYERIWLF-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001714013907 1418793617 /nfs/dbraw/zinc/79/36/17/1418793617.db2.gz QFDDEODFAHKATD-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001714049480 1418847460 /nfs/dbraw/zinc/84/74/60/1418847460.db2.gz WPXMDOHVHPRJKZ-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186786 1429288385 /nfs/dbraw/zinc/28/83/85/1429288385.db2.gz ZVBSATJJLWDAJZ-MSOLQXFVSA-N 2 0 337.552 3.170 10 0 EGAERP CCc1cccc(C[N@H+]2CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001714054148 1418852374 /nfs/dbraw/zinc/85/23/74/1418852374.db2.gz TTZXBPLOVWPEFS-HXUWFJFHSA-N 2 0 345.531 3.012 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1c(C)cccc1C ZINC001714099660 1418895640 /nfs/dbraw/zinc/89/56/40/1418895640.db2.gz QLUSTHRUTCOSNH-GBESFXJTSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714109672 1418911018 /nfs/dbraw/zinc/91/10/18/1418911018.db2.gz MSDKFDDPTCGWKT-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001714118130 1418922615 /nfs/dbraw/zinc/92/26/15/1418922615.db2.gz LOVGQALVLDDVAQ-CFQKCQFKSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001714146578 1418951752 /nfs/dbraw/zinc/95/17/52/1418951752.db2.gz YLOGWIXSKJAIHF-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163773 1418974307 /nfs/dbraw/zinc/97/43/07/1418974307.db2.gz WFOHPXBHXUCBFQ-YLJYHZDGSA-N 2 0 337.552 3.170 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714209067 1419009265 /nfs/dbraw/zinc/00/92/65/1419009265.db2.gz SWHZQCMXUVFWNY-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC001714323927 1419102610 /nfs/dbraw/zinc/10/26/10/1419102610.db2.gz VECQAUTWDVEOBO-HNDWGLKSSA-N 2 0 349.906 3.019 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001714330083 1419109114 /nfs/dbraw/zinc/10/91/14/1419109114.db2.gz BVKWVXOFBACJCB-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001714406767 1419148097 /nfs/dbraw/zinc/14/80/97/1419148097.db2.gz ILMZCKBHEQWWLD-RBUKOAKNSA-N 2 0 345.531 3.221 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001714407774 1419148527 /nfs/dbraw/zinc/14/85/27/1419148527.db2.gz NEUVTHIAHQLVPM-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411058 1419150141 /nfs/dbraw/zinc/15/01/41/1419150141.db2.gz JHMGCRVWCDPERU-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001714499318 1419224685 /nfs/dbraw/zinc/22/46/85/1419224685.db2.gz NKYAYYLMUPRFSV-MSOLQXFVSA-N 2 0 345.531 3.451 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001714510034 1419237699 /nfs/dbraw/zinc/23/76/99/1419237699.db2.gz FTUZQRDWLZOLRE-RTBURBONSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001714621703 1419388653 /nfs/dbraw/zinc/38/86/53/1419388653.db2.gz ILGXWAPQWACAHN-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001714622670 1419390712 /nfs/dbraw/zinc/39/07/12/1419390712.db2.gz LOHFCXQWKLGDHJ-HXUWFJFHSA-N 2 0 347.547 3.334 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001714630702 1419401516 /nfs/dbraw/zinc/40/15/16/1419401516.db2.gz AHNRTKJLULTFPW-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001714798944 1419514045 /nfs/dbraw/zinc/51/40/45/1419514045.db2.gz ZLRQSQARGFNASW-ICSRJNTNSA-N 2 0 345.531 3.224 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001714864382 1419589971 /nfs/dbraw/zinc/58/99/71/1419589971.db2.gz OMSOQFNSTSMVIS-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001714873698 1419607083 /nfs/dbraw/zinc/60/70/83/1419607083.db2.gz QMDFZGBZIGQCJB-IEBWSBKVSA-N 2 0 331.504 3.012 10 0 EGAERP CCC/C=C\CC[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001714915965 1419667032 /nfs/dbraw/zinc/66/70/32/1419667032.db2.gz ZXYDTLADLPPVGF-FPLPWBNLSA-N 2 0 349.563 3.388 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1=CCCCC1 ZINC001714992163 1419724757 /nfs/dbraw/zinc/72/47/57/1419724757.db2.gz NAWMTTIXALXVPD-PMACEKPBSA-N 2 0 345.531 3.038 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001714995138 1419727762 /nfs/dbraw/zinc/72/77/62/1419727762.db2.gz NMKWJWTYSXGRMN-HWYAZIHESA-N 2 0 347.547 3.281 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715006589 1419736330 /nfs/dbraw/zinc/73/63/30/1419736330.db2.gz CFLUAQWDVFMTNI-GLCUZYPYSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001715018570 1419748422 /nfs/dbraw/zinc/74/84/22/1419748422.db2.gz IAMIDCICVRQIIP-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001715099329 1419840337 /nfs/dbraw/zinc/84/03/37/1419840337.db2.gz PRZMLLUYRSLXLD-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001715100658 1419841329 /nfs/dbraw/zinc/84/13/29/1419841329.db2.gz UXPUDTZZHJMRCC-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)c(C)c1 ZINC001715124906 1419870916 /nfs/dbraw/zinc/87/09/16/1419870916.db2.gz NSXSDPPEOUMGDC-NRFANRHFSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001715145448 1419891438 /nfs/dbraw/zinc/89/14/38/1419891438.db2.gz NYGCDBSLEOPYLD-UWJYYQICSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238345 1429379694 /nfs/dbraw/zinc/37/96/94/1429379694.db2.gz SZAPKKNXOWRNPR-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1)[NH+]1CCCC1 ZINC001733238508 1429380154 /nfs/dbraw/zinc/38/01/54/1429380154.db2.gz UNIYVJUZGCBLMJ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001715157642 1419899619 /nfs/dbraw/zinc/89/96/19/1419899619.db2.gz ZANRHCVYFPSBNY-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001715159809 1419901177 /nfs/dbraw/zinc/90/11/77/1419901177.db2.gz GXZSFYHLKLNPOY-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001715159165 1419901193 /nfs/dbraw/zinc/90/11/93/1419901193.db2.gz UDLPCGAJEURGJF-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001715238864 1419969124 /nfs/dbraw/zinc/96/91/24/1419969124.db2.gz JGVTZJOZFRKNMN-OAHLLOKOSA-N 2 0 340.471 3.099 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001715252105 1419976479 /nfs/dbraw/zinc/97/64/79/1419976479.db2.gz GMNKGCBYZQVJQN-IEBWSBKVSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001715256911 1419979459 /nfs/dbraw/zinc/97/94/59/1419979459.db2.gz NRWUAYWYPDOBIX-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001715307146 1420015923 /nfs/dbraw/zinc/01/59/23/1420015923.db2.gz KHTIKMLSXAHYRI-LJQANCHMSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001715376560 1420072856 /nfs/dbraw/zinc/07/28/56/1420072856.db2.gz ITFNRHUJGSFQOS-QUCCMNQESA-N 2 0 345.531 3.134 10 0 EGAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001715402985 1420102218 /nfs/dbraw/zinc/10/22/18/1420102218.db2.gz PMRVUYDVQRCRRY-PKOBYXMFSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715433346 1420121305 /nfs/dbraw/zinc/12/13/05/1420121305.db2.gz BWFWZACWGNMYIQ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715464926 1420144315 /nfs/dbraw/zinc/14/43/15/1420144315.db2.gz XXWXQMHLZGXBHR-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]CC1CCCC1 ZINC001715483767 1420163336 /nfs/dbraw/zinc/16/33/36/1420163336.db2.gz ZQYXRNPWEPMXSO-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C(C)C)C1 ZINC001715506592 1420190156 /nfs/dbraw/zinc/19/01/56/1420190156.db2.gz MGBATUDASNPSKM-UXHICEINSA-N 2 0 349.563 3.339 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715523637 1420211730 /nfs/dbraw/zinc/21/17/30/1420211730.db2.gz VRKMOJIPNVXNIJ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001715535644 1420229863 /nfs/dbraw/zinc/22/98/63/1420229863.db2.gz DIDBNDLQOFMEPN-WOJBJXKFSA-N 2 0 345.531 3.006 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CC2)C1 ZINC001733254398 1429404152 /nfs/dbraw/zinc/40/41/52/1429404152.db2.gz WDXQZWRYIMRHPK-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715618222 1420267110 /nfs/dbraw/zinc/26/71/10/1420267110.db2.gz BLONNLWJIURNAU-OALUTQOASA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001715860437 1420370989 /nfs/dbraw/zinc/37/09/89/1420370989.db2.gz VRNHQIFSBGJYPA-RTBURBONSA-N 2 0 345.531 3.321 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CCC1=CCCCC1 ZINC001715869576 1420375563 /nfs/dbraw/zinc/37/55/63/1420375563.db2.gz DMWUHKYIWRETRT-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001715985138 1420443305 /nfs/dbraw/zinc/44/33/05/1420443305.db2.gz XOFPWQHYSOANJR-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715999076 1420452951 /nfs/dbraw/zinc/45/29/51/1420452951.db2.gz UVABEXLPHSPXAS-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001716022093 1420477439 /nfs/dbraw/zinc/47/74/39/1420477439.db2.gz CVNGRIORYRPPJY-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)cc1C ZINC001716023228 1420478843 /nfs/dbraw/zinc/47/88/43/1420478843.db2.gz IVJVOYKIMMCKJP-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001716027334 1420484480 /nfs/dbraw/zinc/48/44/80/1420484480.db2.gz HWYVCRAKRJGSKR-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001716027332 1420484630 /nfs/dbraw/zinc/48/46/30/1420484630.db2.gz HWYVCRAKRJGSKR-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138531 1420538774 /nfs/dbraw/zinc/53/87/74/1420538774.db2.gz HGTLQLLDNPNQBF-IEBWSBKVSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716174368 1420551594 /nfs/dbraw/zinc/55/15/94/1420551594.db2.gz QNGADFCATZBOLG-DLBZAZTESA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CCC1CCCC1 ZINC001716351534 1420614690 /nfs/dbraw/zinc/61/46/90/1420614690.db2.gz ZANPCTCTJLPISY-GHOSXJJBSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001716351025 1420614937 /nfs/dbraw/zinc/61/49/37/1420614937.db2.gz RLFWWONIMUWVDK-XDXAGZTOSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001716491867 1420713269 /nfs/dbraw/zinc/71/32/69/1420713269.db2.gz HJQOUKUYOPKVSB-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001716496972 1420722033 /nfs/dbraw/zinc/72/20/33/1420722033.db2.gz HAACWNHZAGGUCG-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCCCC1 ZINC001716507701 1420739348 /nfs/dbraw/zinc/73/93/48/1420739348.db2.gz GDIIKFGDURBXEF-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)C2([NH+](C)C)CCC2)c1 ZINC001716546656 1420756419 /nfs/dbraw/zinc/75/64/19/1420756419.db2.gz ZYOQUJICIGUHQY-GOSISDBHSA-N 2 0 345.531 3.287 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001716547959 1420757086 /nfs/dbraw/zinc/75/70/86/1420757086.db2.gz YMMFFXBVJARQGF-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(F)cc1 ZINC001716566926 1420762952 /nfs/dbraw/zinc/76/29/52/1420762952.db2.gz BZAAHXHMLKYSGK-VQIMIIECSA-N 2 0 349.494 3.057 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH2+]CC2CCCC2)C2CC2)cc1 ZINC001716623298 1420784974 /nfs/dbraw/zinc/78/49/74/1420784974.db2.gz DKNIMPPTJLSZPV-HXUWFJFHSA-N 2 0 343.515 3.036 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CC2)cc1 ZINC001716623297 1420785016 /nfs/dbraw/zinc/78/50/16/1420785016.db2.gz DKNIMPPTJLSZPV-FQEVSTJZSA-N 2 0 343.515 3.036 10 0 EGAERP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[N@H+](C)CC ZINC001733272170 1429434748 /nfs/dbraw/zinc/43/47/48/1429434748.db2.gz IOMCWBUDAWCKQT-BQPQQLJHSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001716714695 1420869501 /nfs/dbraw/zinc/86/95/01/1420869501.db2.gz VJHHSSPYUONYFS-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C)CC[NH+](CCCC(C)(C)C)CC1 ZINC001716797328 1420930572 /nfs/dbraw/zinc/93/05/72/1420930572.db2.gz NJJVSADPDXJJFL-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001716822966 1420949469 /nfs/dbraw/zinc/94/94/69/1420949469.db2.gz SUPFQLKZYDPXSI-APWZRJJASA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCC1)c1ccccc1 ZINC001716825190 1420951598 /nfs/dbraw/zinc/95/15/98/1420951598.db2.gz SHEOTCFRSJGZBJ-FXAWDEMLSA-N 2 0 343.515 3.108 10 0 EGAERP CCCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001733279614 1429449422 /nfs/dbraw/zinc/44/94/22/1429449422.db2.gz OVKMGEHAZOVJEM-QZTJIDSGSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001716984753 1421061592 /nfs/dbraw/zinc/06/15/92/1421061592.db2.gz OCQWMARACWMSHL-MOPGFXCFSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCCC1 ZINC001717037934 1421092036 /nfs/dbraw/zinc/09/20/36/1421092036.db2.gz HHSSSEYOBGCNIM-XUVXKRRUSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001717038112 1421092754 /nfs/dbraw/zinc/09/27/54/1421092754.db2.gz NVACPSAORCQEOE-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001717041372 1421095330 /nfs/dbraw/zinc/09/53/30/1421095330.db2.gz FVOQSTPSUSTICM-CSSZIBPHSA-N 2 0 347.547 3.138 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001717083919 1421103389 /nfs/dbraw/zinc/10/33/89/1421103389.db2.gz DOONUZKJQIWUSZ-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCC(C)(C)C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001717112533 1421115681 /nfs/dbraw/zinc/11/56/81/1421115681.db2.gz ITLNUUBFKLGMQN-IBGZPJMESA-N 2 0 345.531 3.265 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@@H]2CCC[C@H](C)C2)CCC1 ZINC001717163443 1421153307 /nfs/dbraw/zinc/15/33/07/1421153307.db2.gz YCDHDNLQBZQHBD-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@H]2CCC[C@@H](C)C2)CCC1 ZINC001717163442 1421153495 /nfs/dbraw/zinc/15/34/95/1421153495.db2.gz YCDHDNLQBZQHBD-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717237477 1421205600 /nfs/dbraw/zinc/20/56/00/1421205600.db2.gz LZXZSTVXBCOGLK-UEKDZROGSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001717292870 1421238771 /nfs/dbraw/zinc/23/87/71/1421238771.db2.gz BXRDTZPGABQSJA-XLIONFOSSA-N 2 0 345.531 3.235 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001717304890 1421246315 /nfs/dbraw/zinc/24/63/15/1421246315.db2.gz WRPACCXBVVGWDU-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001717309468 1421252118 /nfs/dbraw/zinc/25/21/18/1421252118.db2.gz NGSLHXBRKWLPOX-QULHZPMSSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717313091 1421258814 /nfs/dbraw/zinc/25/88/14/1421258814.db2.gz KMRFKZPEOBEZHI-ZMBJWTFHSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001717335906 1421272521 /nfs/dbraw/zinc/27/25/21/1421272521.db2.gz MVYMYYSGHLWIFU-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001733293773 1429474248 /nfs/dbraw/zinc/47/42/48/1429474248.db2.gz VHVHSAWSNBORRU-PLNGDYQASA-N 2 0 347.547 3.143 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC001717472353 1421405824 /nfs/dbraw/zinc/40/58/24/1421405824.db2.gz KUYRXVJAOUXMQN-NZSAHSFTSA-N 2 0 335.536 3.044 10 0 EGAERP CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001717476747 1421410233 /nfs/dbraw/zinc/41/02/33/1421410233.db2.gz RMAOQRAKMDLQTJ-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(C)(C)C ZINC001717513553 1421450749 /nfs/dbraw/zinc/45/07/49/1421450749.db2.gz XBVWNPPFYXZSPI-KURKYZTESA-N 2 0 339.568 3.226 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001717525449 1421461135 /nfs/dbraw/zinc/46/11/35/1421461135.db2.gz QNRHEZXGBFQMQX-WRFKIARRSA-N 2 0 335.536 3.236 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001717527284 1421463040 /nfs/dbraw/zinc/46/30/40/1421463040.db2.gz ZNMQNGIBJQBKTC-UHFFFAOYSA-N 2 0 349.494 3.076 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+]1CCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001717564301 1421499042 /nfs/dbraw/zinc/49/90/42/1421499042.db2.gz FGRQMQJLSQYYKF-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001717583590 1421510170 /nfs/dbraw/zinc/51/01/70/1421510170.db2.gz GOFVBXKEDCEJCK-BLGFXRMMSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001717628480 1421537021 /nfs/dbraw/zinc/53/70/21/1421537021.db2.gz WTSBSJZVGIIBJK-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001717628579 1421537768 /nfs/dbraw/zinc/53/77/68/1421537768.db2.gz ANQDTDBYUWOICG-SFFCAUCYSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCCC1 ZINC001717722444 1421590951 /nfs/dbraw/zinc/59/09/51/1421590951.db2.gz QRBQLFOJDGMASN-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001717756796 1421619967 /nfs/dbraw/zinc/61/99/67/1421619967.db2.gz IQPVHEVHEGVIPU-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC2CCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001717827875 1421641560 /nfs/dbraw/zinc/64/15/60/1421641560.db2.gz LAEYJWMVCAVHKP-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001717839340 1421653579 /nfs/dbraw/zinc/65/35/79/1421653579.db2.gz GIHHXNYYLBUTMH-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@@H]1[N@H+](CC1CCCC1)CC2 ZINC001717839624 1421654002 /nfs/dbraw/zinc/65/40/02/1421654002.db2.gz BNNAYIHGHWZXKS-FPOVZHCZSA-N 2 0 347.547 3.166 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001717842327 1421657392 /nfs/dbraw/zinc/65/73/92/1421657392.db2.gz XVHFJCSAWGNSBX-XLIONFOSSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001717843707 1421658665 /nfs/dbraw/zinc/65/86/65/1421658665.db2.gz YLZQCKQUMIOHEL-CSDOGUONSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCC1 ZINC001717862214 1421675204 /nfs/dbraw/zinc/67/52/04/1421675204.db2.gz GBKGULFLKLNFED-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+](CC2CCCCCC2)C1 ZINC001733311659 1429496319 /nfs/dbraw/zinc/49/63/19/1429496319.db2.gz CADGYSRJTGIRAS-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717991229 1421761220 /nfs/dbraw/zinc/76/12/20/1421761220.db2.gz CSLCYVLIPYILSO-SREVYHEPSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CC2)CC1 ZINC001718004220 1421770664 /nfs/dbraw/zinc/77/06/64/1421770664.db2.gz IORMZRLQILTVNT-QZTJIDSGSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001718004025 1421770720 /nfs/dbraw/zinc/77/07/20/1421770720.db2.gz ZWOJUCQDHMMXNV-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC1(C)CCC(C[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001718032711 1421784583 /nfs/dbraw/zinc/78/45/83/1421784583.db2.gz NPPDYNVGOODCFO-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001733327316 1429512711 /nfs/dbraw/zinc/51/27/11/1429512711.db2.gz NCKCDMBBRYPCNS-DLBZAZTESA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001733357077 1429538404 /nfs/dbraw/zinc/53/84/04/1429538404.db2.gz QGOBUHSQEZWYPI-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001733361941 1429546426 /nfs/dbraw/zinc/54/64/26/1429546426.db2.gz MBPPOBPQFQCSDS-GOSISDBHSA-N 2 0 345.531 3.367 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001733387679 1429576221 /nfs/dbraw/zinc/57/62/21/1429576221.db2.gz PRPZRRDXXQVRBD-HXUWFJFHSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001733426511 1429634111 /nfs/dbraw/zinc/63/41/11/1429634111.db2.gz SZLNXULDCSMFQX-XLIONFOSSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733438926 1429646839 /nfs/dbraw/zinc/64/68/39/1429646839.db2.gz YDQQUYIUAOTKCS-QUCCMNQESA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001733440684 1429648164 /nfs/dbraw/zinc/64/81/64/1429648164.db2.gz JGAPJYWLQVUSCM-PZJWPPBQSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733452622 1429665954 /nfs/dbraw/zinc/66/59/54/1429665954.db2.gz LEPDIHUDSRPMDF-RTBURBONSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001722951176 1424273851 /nfs/dbraw/zinc/27/38/51/1424273851.db2.gz BJIQWRGJFAWXGD-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP CCc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001723021769 1424288660 /nfs/dbraw/zinc/28/86/60/1424288660.db2.gz DUIIRBJACGPPIG-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CC1)[NH+]1CCCCC1 ZINC001723514074 1424447069 /nfs/dbraw/zinc/44/70/69/1424447069.db2.gz BGARBNWFSUCXBE-UHFFFAOYSA-N 2 0 347.547 3.070 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001723669102 1424522984 /nfs/dbraw/zinc/52/29/84/1424522984.db2.gz 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CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CCCC2CCCC2)CC1 ZINC001724026598 1424634410 /nfs/dbraw/zinc/63/44/10/1424634410.db2.gz XUDWAHTUIQYTOJ-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724093570 1424657664 /nfs/dbraw/zinc/65/76/64/1424657664.db2.gz CLKYVNADECXAGN-PMACEKPBSA-N 2 0 349.563 3.458 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CCCC2)C1 ZINC001724104138 1424666473 /nfs/dbraw/zinc/66/64/73/1424666473.db2.gz VHTLRFFQRFUTEX-LPHOPBHVSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C2CCCC2)C1 ZINC001724109157 1424669109 /nfs/dbraw/zinc/66/91/09/1424669109.db2.gz JYVYGYUAZWJMSL-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCCC1)C2 ZINC001724505606 1424881430 /nfs/dbraw/zinc/88/14/30/1424881430.db2.gz IGMCQMZRMSOVKL-UFYCRDLUSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001724508117 1424884340 /nfs/dbraw/zinc/88/43/40/1424884340.db2.gz KKJGKLJOELQVFM-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001724659460 1425036856 /nfs/dbraw/zinc/03/68/56/1425036856.db2.gz YUPWOLYVLWZDEV-UEIMZRGPSA-N 2 0 347.547 3.140 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCCCC2)C1 ZINC001724696150 1425055388 /nfs/dbraw/zinc/05/53/88/1425055388.db2.gz HBBZQTIONORHJN-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724721674 1425073657 /nfs/dbraw/zinc/07/36/57/1425073657.db2.gz DXZGAFAJLOCHSL-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733572775 1429776274 /nfs/dbraw/zinc/77/62/74/1429776274.db2.gz VOVXODHSJDNIRA-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001724739683 1425102576 /nfs/dbraw/zinc/10/25/76/1425102576.db2.gz CLLUPBCSJMTBIZ-FQEVSTJZSA-N 2 0 345.531 3.123 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001724853993 1425221635 /nfs/dbraw/zinc/22/16/35/1425221635.db2.gz YCYUGYVNWBTTCI-MJGOQNOKSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1cccc([C@@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001724859855 1425241273 /nfs/dbraw/zinc/24/12/73/1425241273.db2.gz JXRGVRYKXLRXGB-GOSISDBHSA-N 2 0 333.520 3.177 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001724890964 1425278234 /nfs/dbraw/zinc/27/82/34/1425278234.db2.gz IMXVEQNINFBDNZ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001725041309 1425467259 /nfs/dbraw/zinc/46/72/59/1425467259.db2.gz JDZSXFKQWCLKTR-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCC1 ZINC001725060466 1425500363 /nfs/dbraw/zinc/50/03/63/1425500363.db2.gz URNBMDRLCQMCKN-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725108533 1425562130 /nfs/dbraw/zinc/56/21/30/1425562130.db2.gz MPDMGDPZDSNNQA-RNVJXAMWSA-N 2 0 345.531 3.161 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CCCCC[C@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001725238013 1425831295 /nfs/dbraw/zinc/83/12/95/1425831295.db2.gz BDPUJDOLCFJHIB-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C1 ZINC001725334223 1425978953 /nfs/dbraw/zinc/97/89/53/1425978953.db2.gz LXYGGNQRAAWUBM-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001725366902 1426017114 /nfs/dbraw/zinc/01/71/14/1426017114.db2.gz MIQQPCWXRAXQIK-CADBVGFASA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001725369354 1426019379 /nfs/dbraw/zinc/01/93/79/1426019379.db2.gz NRYRRKNTTPSUMZ-VAMGGRTRSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001725420496 1426069746 /nfs/dbraw/zinc/06/97/46/1426069746.db2.gz VVDFTDHDFWOLOJ-LPHOPBHVSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)C[NH2+]CCC[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001725438903 1426100178 /nfs/dbraw/zinc/10/01/78/1426100178.db2.gz FIEWHEJOFPDFFO-RLLQIKCJSA-N 2 0 345.531 3.210 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001725447147 1426111804 /nfs/dbraw/zinc/11/18/04/1426111804.db2.gz PDOOXGMXSZXQRO-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001725456483 1426122777 /nfs/dbraw/zinc/12/27/77/1426122777.db2.gz WEBVODFMPZMLCI-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[C@@H](C[NH2+]CCC1CC1)C1CC1 ZINC001725456203 1426123030 /nfs/dbraw/zinc/12/30/30/1426123030.db2.gz OHGMUYXLJGRCLN-PMACEKPBSA-N 2 0 347.547 3.020 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001725618180 1426281821 /nfs/dbraw/zinc/28/18/21/1426281821.db2.gz CWARYDVLOLYVCC-XSNSTOHYSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736702 1426411295 /nfs/dbraw/zinc/41/12/95/1426411295.db2.gz DEMQRQWUEBVGNS-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C ZINC001725749016 1426427420 /nfs/dbraw/zinc/42/74/20/1426427420.db2.gz CGRFCORLFORAGK-KRWDZBQOSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001725755212 1426434570 /nfs/dbraw/zinc/43/45/70/1426434570.db2.gz FXVIECAFANSJAW-QZTJIDSGSA-N 2 0 339.568 3.273 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001725762327 1426443126 /nfs/dbraw/zinc/44/31/26/1426443126.db2.gz AHFRUFALKIFUCG-MBOZVWFJSA-N 2 0 345.531 3.305 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)CCc2cncn2C)CC1 ZINC001725764072 1426445556 /nfs/dbraw/zinc/44/55/56/1426445556.db2.gz NWJMVMHWRFYZIC-QGZVFWFLSA-N 2 0 348.535 3.006 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)C1CC([NH2+]Cc2ccsc2)C1 ZINC001725790939 1426476369 /nfs/dbraw/zinc/47/63/69/1426476369.db2.gz RTJMEJCKMKPZSH-UHFFFAOYSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001731286827 1427230789 /nfs/dbraw/zinc/23/07/89/1427230789.db2.gz PRISOMCTNZTBNH-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CCC(C)CC1 ZINC001731310818 1427252399 /nfs/dbraw/zinc/25/23/99/1427252399.db2.gz IHUGHMWYRFVCGK-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001731388150 1427337925 /nfs/dbraw/zinc/33/79/25/1427337925.db2.gz WFCZUKXTALJILI-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001731427311 1427408917 /nfs/dbraw/zinc/40/89/17/1427408917.db2.gz XTPCLJBGDLBZFW-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731536461 1427535154 /nfs/dbraw/zinc/53/51/54/1427535154.db2.gz AHHQJPPVOOLSHL-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001731540513 1427546385 /nfs/dbraw/zinc/54/63/85/1427546385.db2.gz IJKLHGFIMKIUEF-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594531 1427636348 /nfs/dbraw/zinc/63/63/48/1427636348.db2.gz IDLNXRMEVNJPCH-XLIONFOSSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCC2CCCCC2)C1 ZINC001731720218 1427787926 /nfs/dbraw/zinc/78/79/26/1427787926.db2.gz MMYDHDWDFDQBJK-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCC2)CC[N@@H+]1C ZINC001731753544 1427850327 /nfs/dbraw/zinc/85/03/27/1427850327.db2.gz DIKBVJGFLUAZEJ-YSIASYRMSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC(C)(C)C ZINC001731782251 1427907365 /nfs/dbraw/zinc/90/73/65/1427907365.db2.gz IIRFXDGFBAEIFJ-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733673391 1429868512 /nfs/dbraw/zinc/86/85/12/1429868512.db2.gz QUIKAPGEUAEERZ-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)(C)CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001733675057 1429869992 /nfs/dbraw/zinc/86/99/92/1429869992.db2.gz WVWLMFXWFQPVIM-NQIIRXRSSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001733684910 1429900033 /nfs/dbraw/zinc/90/00/33/1429900033.db2.gz QMMPVHNEVNIWLT-ROUUACIJSA-N 2 0 345.531 3.341 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001733719894 1429940630 /nfs/dbraw/zinc/94/06/30/1429940630.db2.gz GTYFQMSNEAMAPP-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1 ZINC001733728431 1429958402 /nfs/dbraw/zinc/95/84/02/1429958402.db2.gz WOTWOJOLGWUQEM-ACBHZAAOSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001733759585 1429973182 /nfs/dbraw/zinc/97/31/82/1429973182.db2.gz FUVHWKANZAOCKY-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001733761716 1429976842 /nfs/dbraw/zinc/97/68/42/1429976842.db2.gz YOGHOUMZKXHZRU-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001733770916 1430002628 /nfs/dbraw/zinc/00/26/28/1430002628.db2.gz UYQBDKWEWVVCRZ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001733813864 1430094589 /nfs/dbraw/zinc/09/45/89/1430094589.db2.gz RNZMZMRJAUHUOH-RXVVDRJESA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001733815273 1430096257 /nfs/dbraw/zinc/09/62/57/1430096257.db2.gz YZGBRBOIZGJQOH-OLEQZPESSA-N 2 0 347.547 3.143 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001733896849 1437714492 /nfs/dbraw/zinc/71/44/92/1437714492.db2.gz ABXSEJYUQJYJSD-YSKLNCTFSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733920059 1437733574 /nfs/dbraw/zinc/73/35/74/1437733574.db2.gz UIRBBXAPEXMFQT-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001733940027 1437756504 /nfs/dbraw/zinc/75/65/04/1437756504.db2.gz FYVROSKEGBDSPR-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001733998254 1437792004 /nfs/dbraw/zinc/79/20/04/1437792004.db2.gz XLRLEJSKOWYHMS-IRXDYDNUSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C)C1 ZINC001734050687 1437840209 /nfs/dbraw/zinc/84/02/09/1437840209.db2.gz FSJBGTIZOXSSHG-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001734098605 1437882754 /nfs/dbraw/zinc/88/27/54/1437882754.db2.gz ZSNSMHYBMZPPNG-ACBHZAAOSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CCC(C)(C)C)C1CCC1 ZINC001734103738 1437889230 /nfs/dbraw/zinc/88/92/30/1437889230.db2.gz LWICQVLOAYRLKD-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001734105643 1437891700 /nfs/dbraw/zinc/89/17/00/1437891700.db2.gz GQFUFLMOIKQZFO-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC001734155451 1437922317 /nfs/dbraw/zinc/92/23/17/1437922317.db2.gz XZBNXVQBQQZXTR-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001734192273 1437933650 /nfs/dbraw/zinc/93/36/50/1437933650.db2.gz CHSBBJCIFWLKRX-SLFFLAALSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308213 1438040107 /nfs/dbraw/zinc/04/01/07/1438040107.db2.gz HKQHAFMRIQLBGZ-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001734332493 1438055523 /nfs/dbraw/zinc/05/55/23/1438055523.db2.gz UXALKMQOMLUHDQ-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001734334377 1438056788 /nfs/dbraw/zinc/05/67/88/1438056788.db2.gz PRWZHRGBJMMHOM-IPLHWJFFSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1 ZINC001734352418 1438070280 /nfs/dbraw/zinc/07/02/80/1438070280.db2.gz OIJSWETVYNXTEF-HNNXBMFYSA-N 2 0 347.528 3.180 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001734404691 1438084063 /nfs/dbraw/zinc/08/40/63/1438084063.db2.gz SFCKQDPSEMUOHK-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001734426252 1438091726 /nfs/dbraw/zinc/09/17/26/1438091726.db2.gz LCDMZDPXQDPXAZ-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001734432018 1438095602 /nfs/dbraw/zinc/09/56/02/1438095602.db2.gz YPPGPIINICKQFP-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](C[C@@H](C)CC(C)C)CC2 ZINC001734444674 1438106109 /nfs/dbraw/zinc/10/61/09/1438106109.db2.gz VWGTXESFXJHVTC-NSHGMRRFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734484970 1438128492 /nfs/dbraw/zinc/12/84/92/1438128492.db2.gz QGRHJOVZPBNPGA-UYAOXDASSA-N 2 0 345.531 3.282 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CCC2CCCC2)C(C)(C)C1 ZINC001734507194 1438137490 /nfs/dbraw/zinc/13/74/90/1438137490.db2.gz HMQLKZQBRYYGTJ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)[C@@H]1CCCC[NH+]1C ZINC001734552336 1438150112 /nfs/dbraw/zinc/15/01/12/1438150112.db2.gz QSFFLOONBSELNO-QUCCMNQESA-N 2 0 345.531 3.401 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)Cc1ccc(C)cc1)C(C)C)[NH+](C)C ZINC001734552038 1438150182 /nfs/dbraw/zinc/15/01/82/1438150182.db2.gz XYHSYWNILUNZLC-IBGZPJMESA-N 2 0 333.520 3.004 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734553382 1438151815 /nfs/dbraw/zinc/15/18/15/1438151815.db2.gz BYLGAIFCEJEMGX-OALUTQOASA-N 2 0 339.568 3.466 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C)C1CCC1 ZINC001734559757 1438157879 /nfs/dbraw/zinc/15/78/79/1438157879.db2.gz ADWIUEZBKKTEJU-LJQANCHMSA-N 2 0 349.563 3.482 10 0 EGAERP CN(C(=O)C1CC[NH+](CC2CC2)CC1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001734601363 1438183301 /nfs/dbraw/zinc/18/33/01/1438183301.db2.gz JDLOGJXCRRBVAU-UHFFFAOYSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001750934081 1440114386 /nfs/dbraw/zinc/11/43/86/1440114386.db2.gz PNYQRDNXHSDEQA-GBESFXJTSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001750945394 1440118188 /nfs/dbraw/zinc/11/81/88/1440118188.db2.gz SSCOJQPDCLAKFN-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001750945984 1440118501 /nfs/dbraw/zinc/11/85/01/1440118501.db2.gz XQJJLXHMPIUEMW-YMHTTXFNSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1[nH+]c(CN2CCCN(c3cc[nH+]c(C)c3)CC2)c2ccccn12 ZINC000072159314 216049283 /nfs/dbraw/zinc/04/92/83/216049283.db2.gz QGNXRSGDGJGUOP-UHFFFAOYSA-N 2 0 335.455 3.058 10 0 EGAERP CCCOc1ccc(C[NH2+]CC2CC[NH2+]CC2)cc1Br ZINC000020967443 212192845 /nfs/dbraw/zinc/19/28/45/212192845.db2.gz JQCJIOPSPXAWBX-UHFFFAOYSA-N 2 0 341.293 3.327 10 0 EGAERP C(C1CC1)[N@@H+]1CCC[C@]2(CC[NH+](C3CSCCSC3)C2)C1 ZINC000020453391 212130912 /nfs/dbraw/zinc/13/09/12/212130912.db2.gz FRWFHHBKAITBEV-KRWDZBQOSA-N 2 0 326.575 3.033 10 0 EGAERP CCOC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000092813384 218170287 /nfs/dbraw/zinc/17/02/87/218170287.db2.gz KSTXFEYQHFEHNX-HNNXBMFYSA-N 2 0 343.427 3.094 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246975945 141046728 /nfs/dbraw/zinc/04/67/28/141046728.db2.gz IRFCDWBURJIRQI-WIYYLYMNSA-N 2 0 344.547 3.004 10 0 EGAERP C[C@@H]([NH2+]CCOCCOc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923769 141217430 /nfs/dbraw/zinc/21/74/30/141217430.db2.gz DOKPAUVUJPRSRF-RTBURBONSA-N 2 0 346.515 3.325 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1)C(C)C ZINC000347983892 141228234 /nfs/dbraw/zinc/22/82/34/141228234.db2.gz LQMRRYHKBVNKJE-HXUWFJFHSA-N 2 0 343.515 3.083 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000353461651 141302060 /nfs/dbraw/zinc/30/20/60/141302060.db2.gz NALDFXJOCGGOLM-HBMCJLEFSA-N 2 0 346.515 3.202 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C12CCOCC2 ZINC000249052101 286291360 /nfs/dbraw/zinc/29/13/60/286291360.db2.gz WXIYJHQUMWMOFG-KZNAEPCWSA-N 2 0 326.525 3.061 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000119381738 152200078 /nfs/dbraw/zinc/20/00/78/152200078.db2.gz BUERSADRIFKMPK-HXUWFJFHSA-N 2 0 343.515 3.133 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337509674 154388798 /nfs/dbraw/zinc/38/87/98/154388798.db2.gz QRJCZTIBBISIFH-CTWPCTMYSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cccn2C)CC1 ZINC000093584565 162014696 /nfs/dbraw/zinc/01/46/96/162014696.db2.gz MRRWAGGAEHCBNI-UHFFFAOYSA-N 2 0 340.515 3.189 10 0 EGAERP COc1c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)nn1C ZINC000093844561 162029599 /nfs/dbraw/zinc/02/95/99/162029599.db2.gz RKLQDYGRVVOXHJ-MRXNPFEDSA-N 2 0 348.535 3.214 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1cccc(C[NH+](C)C(C)C)c1 ZINC000110871072 162137805 /nfs/dbraw/zinc/13/78/05/162137805.db2.gz MJPNSRNUHYQEPW-LJQANCHMSA-N 2 0 331.504 3.017 10 0 EGAERP COc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@H]3C)CC2)c(C)n1 ZINC000337164624 163149352 /nfs/dbraw/zinc/14/93/52/163149352.db2.gz XZGGJOYTWYFIGR-MRXNPFEDSA-N 2 0 346.519 3.270 10 0 EGAERP C[NH+]1CCC(CC[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346546477 164394580 /nfs/dbraw/zinc/39/45/80/164394580.db2.gz BGSKQLCQCVXHKE-LJQANCHMSA-N 2 0 328.435 3.027 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cn(C)nc2-c2ccncc2)CC1 ZINC000350175740 165015828 /nfs/dbraw/zinc/01/58/28/165015828.db2.gz ISEDBPWBBNRZDF-UHFFFAOYSA-N 2 0 341.503 3.036 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000354993939 166082018 /nfs/dbraw/zinc/08/20/18/166082018.db2.gz PYUCLYBVWLVISE-LJQANCHMSA-N 2 0 329.488 3.138 10 0 EGAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)CC[C@@H]2CCCC[N@@H+]2C)c1 ZINC000355038694 166090670 /nfs/dbraw/zinc/09/06/70/166090670.db2.gz BRALUOWDEDOWGW-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP Cc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366286107 168102403 /nfs/dbraw/zinc/10/24/03/168102403.db2.gz ROELFYMGJYJNFI-WWDZGPRUSA-N 2 0 329.488 3.319 10 0 EGAERP CCCCCCNC(=O)CN1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367230009 168196424 /nfs/dbraw/zinc/19/64/24/168196424.db2.gz HJFIBJHKNNRNNY-KRWDZBQOSA-N 2 0 346.519 3.095 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000367620696 168251043 /nfs/dbraw/zinc/25/10/43/168251043.db2.gz QULIXGJITWEJFX-KURKYZTESA-N 2 0 346.515 3.444 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278576628 268044330 /nfs/dbraw/zinc/04/43/30/268044330.db2.gz XTQOUNFPWCRHAG-PGRDOPGGSA-N 3 0 341.543 3.361 10 0 EGAERP C[C@H]1C[C@H]([NH2+]C[C@@H](O)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000286871812 276052318 /nfs/dbraw/zinc/05/23/18/276052318.db2.gz BVWFPIMIFINUIA-BWAGFHJFSA-N 2 0 338.495 3.233 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353439841 276110274 /nfs/dbraw/zinc/11/02/74/276110274.db2.gz JRZUOZXUHUDITD-NJYVYQBISA-N 3 0 329.532 3.491 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246911702 276361691 /nfs/dbraw/zinc/36/16/91/276361691.db2.gz PTZHOHFSZICJIR-JFIYKMOQSA-N 2 0 349.544 3.122 10 0 EGAERP CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCOC3(CCSCC3)C2)CC1 ZINC000358295683 278342072 /nfs/dbraw/zinc/34/20/72/278342072.db2.gz KLSRJKFSBAUCRB-MRXNPFEDSA-N 2 0 326.550 3.284 10 0 EGAERP C[C@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092878 279351671 /nfs/dbraw/zinc/35/16/71/279351671.db2.gz ONGQKBABPGWQLG-BEFAXECRSA-N 2 0 335.923 3.264 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@H]21 ZINC000370741053 290214150 /nfs/dbraw/zinc/21/41/50/290214150.db2.gz UIHYKGCFPJFUES-KWXGJIJISA-N 2 0 336.520 3.349 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2ccccc2OCC2CC2)C[C@H](C)O1 ZINC000062252791 307353498 /nfs/dbraw/zinc/35/34/98/307353498.db2.gz JSPMHFYBPOTZOQ-ROUUACIJSA-N 2 0 346.515 3.454 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2scnc2C)CC1 ZINC000151968209 307742816 /nfs/dbraw/zinc/74/28/16/307742816.db2.gz RWZBDCORZCPESH-UHFFFAOYSA-N 2 0 344.528 3.273 10 0 EGAERP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000248990550 308016563 /nfs/dbraw/zinc/01/65/63/308016563.db2.gz FTCHDYUQIVYZOT-VIYGXFRKSA-N 2 0 328.500 3.444 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccc(C(=O)OC)c(Cl)c2)[C@@H](C)C1 ZINC000294857012 308264775 /nfs/dbraw/zinc/26/47/75/308264775.db2.gz CSTRCKNIRKPTBJ-SUMWQHHRSA-N 2 0 338.879 3.289 10 0 EGAERP c1ccc(N2CC[C@@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298291164 308600863 /nfs/dbraw/zinc/60/08/63/308600863.db2.gz HFZVHQKKMKDBSV-SFHVURJKSA-N 2 0 336.483 3.167 10 0 EGAERP COc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@@H]1C[NH3+] ZINC000414796288 309101917 /nfs/dbraw/zinc/10/19/17/309101917.db2.gz HHNLDQRZQGWNJY-RISCZKNCSA-N 2 0 327.266 3.065 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000414816266 309103350 /nfs/dbraw/zinc/10/33/50/309103350.db2.gz ZSVJTWCBAPANGW-ZIAGYGMSSA-N 2 0 329.419 3.352 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OCc1ccccc1 ZINC000414949009 309110976 /nfs/dbraw/zinc/11/09/76/309110976.db2.gz ZHXDTCTWTCGTEA-VQIMIIECSA-N 2 0 340.467 3.362 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1OCc1ccccc1 ZINC000414964327 309111936 /nfs/dbraw/zinc/11/19/36/309111936.db2.gz UVCGXZPGSCFOCQ-QFBILLFUSA-N 2 0 340.467 3.362 10 0 EGAERP c1ccc(C[C@@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415046995 309116342 /nfs/dbraw/zinc/11/63/42/309116342.db2.gz DGDFMECOGXHPFR-ZGJBTBESSA-N 2 0 341.543 3.204 10 0 EGAERP Cc1nn(-c2ccc(F)cc2)c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415058226 309117289 /nfs/dbraw/zinc/11/72/89/309117289.db2.gz UWRQKWZSSKNXTE-BFUOFWGJSA-N 2 0 330.451 3.045 10 0 EGAERP CCC[NH+]1CCC(N(C)C(=O)Nc2ccccc2C[NH2+]CC)CC1 ZINC000415953315 309151054 /nfs/dbraw/zinc/15/10/54/309151054.db2.gz LASYTFCZLMLUPK-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000417816300 309223759 /nfs/dbraw/zinc/22/37/59/309223759.db2.gz PUHYMMHNQNCFFO-KBXCAEBGSA-N 2 0 325.456 3.049 10 0 EGAERP CC[C@@H](C[NH+]1CCCC2(CCC[N@@H+](C[C@H](CC)OC)C2)C1)OC ZINC000419284670 309262890 /nfs/dbraw/zinc/26/28/90/309262890.db2.gz TULKOLPWWPDAQZ-ADUPEVMXSA-N 2 0 326.525 3.014 10 0 EGAERP [NH3+]CCC[N@H+](CCO)Cc1cccc(OCc2ccccc2Cl)c1 ZINC000420318746 309281697 /nfs/dbraw/zinc/28/16/97/309281697.db2.gz OSHIOYJUFVCZBK-UHFFFAOYSA-N 2 0 348.874 3.062 10 0 EGAERP COc1cc(F)c([C@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422727138 309365407 /nfs/dbraw/zinc/36/54/07/309365407.db2.gz GWXNCGSZTKJVFF-AAEUAGOBSA-N 2 0 347.434 3.417 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000422764359 309367237 /nfs/dbraw/zinc/36/72/37/309367237.db2.gz OITPHDKKEKWKIJ-NHCUHLMSSA-N 2 0 349.478 3.273 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422775790 309367783 /nfs/dbraw/zinc/36/77/83/309367783.db2.gz CICICNNJIBNHKD-XLIONFOSSA-N 2 0 330.447 3.453 10 0 EGAERP CC[C@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Oc1ccccc1F ZINC000422814993 309370015 /nfs/dbraw/zinc/37/00/15/309370015.db2.gz ALNVIBXXFSTHSU-CZUORRHYSA-N 2 0 331.435 3.496 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940554 309377094 /nfs/dbraw/zinc/37/70/94/309377094.db2.gz GZOFEARZKAAFAW-AZUAARDMSA-N 2 0 346.446 3.267 10 0 EGAERP COc1cc(C)cc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423000008 309380114 /nfs/dbraw/zinc/38/01/14/309380114.db2.gz GLWRFRVMUAKNDD-TZIWHRDSSA-N 2 0 338.451 3.349 10 0 EGAERP COc1cc(C)cc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423000005 309380210 /nfs/dbraw/zinc/38/02/10/309380210.db2.gz GLWRFRVMUAKNDD-CTNGQTDRSA-N 2 0 338.451 3.349 10 0 EGAERP C[C@H]([NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423004693 309380406 /nfs/dbraw/zinc/38/04/06/309380406.db2.gz PTHKGPNQVJBWDY-AOIWGVFYSA-N 2 0 338.499 3.445 10 0 EGAERP Cc1ccsc1CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012235 309380706 /nfs/dbraw/zinc/38/07/06/309380706.db2.gz CNPVVJJNHKPPAI-LPHOPBHVSA-N 2 0 328.481 3.445 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(F)c2F)CCCC1 ZINC000423072002 309384484 /nfs/dbraw/zinc/38/44/84/309384484.db2.gz INXSZCQCMOHIMB-AWEZNQCLSA-N 2 0 326.431 3.120 10 0 EGAERP COc1ccc([C@H](NCC(C)(C)C[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423080875 309384769 /nfs/dbraw/zinc/38/47/69/309384769.db2.gz TUPGYIQAEKMZKH-PMACEKPBSA-N 2 0 345.531 3.200 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423090521 309385395 /nfs/dbraw/zinc/38/53/95/309385395.db2.gz XVUHFIJIWUOMMW-MRXNPFEDSA-N 2 0 338.499 3.416 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423134297 309387687 /nfs/dbraw/zinc/38/76/87/309387687.db2.gz LTXNZGYRBHDTBA-KFWWJZLASA-N 2 0 327.394 3.153 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]CCCNCc1cccnc1)CCCO2 ZINC000423186001 309389479 /nfs/dbraw/zinc/38/94/79/309389479.db2.gz KJTCJICNLUIOQZ-IBGZPJMESA-N 2 0 325.456 3.373 10 0 EGAERP COc1cc(C)c([C@H](C)[NH2+]CCCNCc2cccnc2)cc1OC ZINC000423185549 309389541 /nfs/dbraw/zinc/38/95/41/309389541.db2.gz JNWNCFBFEQHMAE-INIZCTEOSA-N 2 0 343.471 3.238 10 0 EGAERP C[C@@H](NCC1([NH3+])CCCCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423198162 309390161 /nfs/dbraw/zinc/39/01/61/309390161.db2.gz DLFSEPRBNMWHHQ-QGZVFWFLSA-N 2 0 333.520 3.329 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423221074 309391116 /nfs/dbraw/zinc/39/11/16/309391116.db2.gz ZENPJHKAYOTXEI-IUODEOHRSA-N 2 0 339.277 3.252 10 0 EGAERP C[C@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCC[NH2+]C1 ZINC000423325410 309395147 /nfs/dbraw/zinc/39/51/47/309395147.db2.gz BUVAEABYPHXNCF-HOTGVXAUSA-N 2 0 327.394 3.457 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423386591 309398254 /nfs/dbraw/zinc/39/82/54/309398254.db2.gz LYWROVKAWPXXHG-JTSKRJEESA-N 3 0 335.495 3.290 10 0 EGAERP COCC1(C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC[NH2+]CC1 ZINC000423408016 309398972 /nfs/dbraw/zinc/39/89/72/309398972.db2.gz NVFGMWHBAIIEIE-SFHVURJKSA-N 2 0 332.488 3.123 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423407760 309398989 /nfs/dbraw/zinc/39/89/89/309398989.db2.gz WJPFAWDJCVVQMQ-BIGNPOOSSA-N 2 0 327.241 3.163 10 0 EGAERP Cc1c(F)cccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000434622203 309715660 /nfs/dbraw/zinc/71/56/60/309715660.db2.gz BRBCMMWWTDQKBY-UHFFFAOYSA-N 2 0 347.478 3.271 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(CN3CC[NH+](C)CC3)cc2)cs1 ZINC000449081745 310035456 /nfs/dbraw/zinc/03/54/56/310035456.db2.gz HPMHEMAVMBJTOX-UHFFFAOYSA-N 2 0 329.513 3.094 10 0 EGAERP C[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000449086590 310036083 /nfs/dbraw/zinc/03/60/83/310036083.db2.gz CTENPTOORDHJMR-WOJBJXKFSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000449184821 310043060 /nfs/dbraw/zinc/04/30/60/310043060.db2.gz IJGSJUMHRXJBOS-LVCYWYKZSA-N 2 0 341.543 3.297 10 0 EGAERP c1c2cccnc2oc1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000449233568 310046534 /nfs/dbraw/zinc/04/65/34/310046534.db2.gz ZCQJPELBAXASFX-UHFFFAOYSA-N 2 0 343.471 3.152 10 0 EGAERP CO[C@@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457560 310063597 /nfs/dbraw/zinc/06/35/97/310063597.db2.gz HQUARAJPOOARBZ-SJLPKXTDSA-N 2 0 340.552 3.307 10 0 EGAERP C[C@@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449489782 310066344 /nfs/dbraw/zinc/06/63/44/310066344.db2.gz UJHLQBIAWMZVFG-IEBWSBKVSA-N 2 0 334.479 3.253 10 0 EGAERP FCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CCOCC1 ZINC000449488265 310066361 /nfs/dbraw/zinc/06/63/61/310066361.db2.gz FJEIOZMSTIQLNH-UHFFFAOYSA-N 2 0 334.479 3.049 10 0 EGAERP CC(C)[C@@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000453068534 310255720 /nfs/dbraw/zinc/25/57/20/310255720.db2.gz AMSFNEKEEPSQQE-HXUWFJFHSA-N 2 0 326.488 3.293 10 0 EGAERP COC1([C@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000453094480 310257464 /nfs/dbraw/zinc/25/74/64/310257464.db2.gz SDIWPLAFDBJMQY-SFHVURJKSA-N 2 0 346.515 3.346 10 0 EGAERP COC1([C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCCCC2)CCOCC1 ZINC000453094478 310257540 /nfs/dbraw/zinc/25/75/40/310257540.db2.gz SDIWPLAFDBJMQY-GOSISDBHSA-N 2 0 346.515 3.346 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)[C@@H]3CCC[C@H]32)cc1 ZINC000453187803 310263137 /nfs/dbraw/zinc/26/31/37/310263137.db2.gz AMLNHLXVSVQZIY-IVAOSVALSA-N 2 0 328.500 3.446 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H](c2ccc(F)cc2)[NH+](C)C)CCCCC1 ZINC000460287095 310581654 /nfs/dbraw/zinc/58/16/54/310581654.db2.gz YAGPIPKWHAIREO-GOSISDBHSA-N 2 0 349.494 3.057 10 0 EGAERP C[N@H+](CCCN1CC[NH+](C)CC1)CCc1cc(Cl)ccc1Cl ZINC000488171087 311054478 /nfs/dbraw/zinc/05/44/78/311054478.db2.gz XTJVVSXYLHIDLC-UHFFFAOYSA-N 2 0 344.330 3.105 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)n1 ZINC000513335580 312207243 /nfs/dbraw/zinc/20/72/43/312207243.db2.gz QMIQNSZTNASZLQ-VQIMIIECSA-N 2 0 331.504 3.265 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@H]2CCC[C@H]21 ZINC000513654394 312214830 /nfs/dbraw/zinc/21/48/30/312214830.db2.gz IFXMMDVJUMVLTH-FRRDWIJNSA-N 2 0 329.307 3.473 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H]2CCC[C@H]21 ZINC000513717479 312216477 /nfs/dbraw/zinc/21/64/77/312216477.db2.gz PBUVTFDXUFPALD-QHAWAJNXSA-N 2 0 341.543 3.286 10 0 EGAERP C[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000534328096 313973051 /nfs/dbraw/zinc/97/30/51/313973051.db2.gz BTXRMQKLLUAYLH-CYBMUJFWSA-N 2 0 327.875 3.156 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000540709117 314398809 /nfs/dbraw/zinc/39/88/09/314398809.db2.gz GMZANCPAVCQHIH-PMACEKPBSA-N 2 0 346.515 3.156 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H]1CC(C)(C)c2ccccc21)C(=O)NCC[NH+](C)C ZINC000540744457 314400204 /nfs/dbraw/zinc/40/02/04/314400204.db2.gz OUELWWXGTIADKU-RBUKOAKNSA-N 2 0 345.531 3.091 10 0 EGAERP CC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000549876651 315108498 /nfs/dbraw/zinc/10/84/98/315108498.db2.gz QVLKQBXDURSCKZ-IBGZPJMESA-N 2 0 328.500 3.305 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000552248552 315209342 /nfs/dbraw/zinc/20/93/42/315209342.db2.gz KXWQWHCMZIYZCP-IDCJVQTKSA-N 2 0 335.442 3.006 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000553405418 315262486 /nfs/dbraw/zinc/26/24/86/315262486.db2.gz NSJFTRHYVCPXKV-GOSISDBHSA-N 2 0 343.515 3.021 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000563449628 316024004 /nfs/dbraw/zinc/02/40/04/316024004.db2.gz XKRIYJOTYGDRCS-MRXNPFEDSA-N 2 0 332.492 3.038 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]CCC(=O)Nc2cccc(F)c2)ccc1F ZINC000563617983 316046851 /nfs/dbraw/zinc/04/68/51/316046851.db2.gz MATIIWJPYDELMX-UHFFFAOYSA-N 2 0 347.409 3.145 10 0 EGAERP C[C@H](O)[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1F ZINC000565896724 316385359 /nfs/dbraw/zinc/38/53/59/316385359.db2.gz UDBIFJKGISVWJP-LRDDRELGSA-N 2 0 348.384 3.254 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000570310204 317038592 /nfs/dbraw/zinc/03/85/92/317038592.db2.gz QRGIAFURLCUYIH-QEJZJMRPSA-N 2 0 344.286 3.230 10 0 EGAERP CCC[C@H](C)[C@@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000570973811 317133932 /nfs/dbraw/zinc/13/39/32/317133932.db2.gz SYCYCXGTVOAJGB-WAOWUJCRSA-N 2 0 332.532 3.469 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(F)c(F)c2)C(C)C)CC1 ZINC000181946952 323514706 /nfs/dbraw/zinc/51/47/06/323514706.db2.gz PBHINLSODHDBGI-HNAYVOBHSA-N 2 0 339.474 3.278 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000398032575 324294614 /nfs/dbraw/zinc/29/46/14/324294614.db2.gz OBLNSSBICIKZJH-DUXKGJEZSA-N 2 0 336.479 3.490 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]Cc1cccc2c1CCCN2 ZINC000579811739 325162142 /nfs/dbraw/zinc/16/21/42/325162142.db2.gz FNJVYZJTWDCZNN-UHFFFAOYSA-N 2 0 333.439 3.224 10 0 EGAERP c1sc(CCc2ccccc2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000579838886 325165673 /nfs/dbraw/zinc/16/56/73/325165673.db2.gz CZMNAGIKRDBPTO-HDICACEKSA-N 2 0 341.524 3.360 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccc3[nH]ccc3c2)(N2CCCCC2)CC1 ZINC000581954481 325402067 /nfs/dbraw/zinc/40/20/67/325402067.db2.gz YZPRSBHFRTWVNF-UHFFFAOYSA-N 2 0 340.515 3.208 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccncc1 ZINC000583552545 325533464 /nfs/dbraw/zinc/53/34/64/325533464.db2.gz SQQRCPSCFQZPFG-JXFKEZNVSA-N 2 0 347.466 3.022 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)[C@@H]2CCC[C@@H]21 ZINC000556871908 459026113 /nfs/dbraw/zinc/02/61/13/459026113.db2.gz NEDUEFYXBMHSOY-XIRDDKMYSA-N 2 0 337.305 3.454 10 0 EGAERP [NH3+][C@@H]1CCCCCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000631833498 460576521 /nfs/dbraw/zinc/57/65/21/460576521.db2.gz BLTXYVBXWPPDFR-LJQANCHMSA-N 2 0 325.456 3.364 10 0 EGAERP CCOc1ccccc1NC(=O)[C@@H](C)N1CCC(c2ncc[nH]2)CC1 ZINC000265476857 455331495 /nfs/dbraw/zinc/33/14/95/455331495.db2.gz JQIAUXUXJFDAPD-CQSZACIVSA-N 2 0 342.443 3.015 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)c(Cl)c1OC ZINC000623532495 460599789 /nfs/dbraw/zinc/59/97/89/460599789.db2.gz VUVUKKPPDDEXCI-AWEZNQCLSA-N 2 0 340.895 3.362 10 0 EGAERP CC(C)[C@@H](O)C(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090811122 454343326 /nfs/dbraw/zinc/34/33/26/454343326.db2.gz FBOSRAONCCYIFL-HXUWFJFHSA-N 2 0 332.532 3.326 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC1 ZINC000132882879 454374694 /nfs/dbraw/zinc/37/46/94/454374694.db2.gz ANLXUTIMBAQXIO-HNNXBMFYSA-N 2 0 327.394 3.409 10 0 EGAERP CCC(CC)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737362 454474774 /nfs/dbraw/zinc/47/47/74/454474774.db2.gz AABASBRFANNBSP-KRWDZBQOSA-N 2 0 345.531 3.455 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000121781727 454476007 /nfs/dbraw/zinc/47/60/07/454476007.db2.gz SHELOJNBNGHUEN-OAHLLOKOSA-N 2 0 347.503 3.426 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1)C(C)C ZINC000101640706 454478732 /nfs/dbraw/zinc/47/87/32/454478732.db2.gz ZJAHPKMLMARHTC-UHFFFAOYSA-N 2 0 331.504 3.083 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000122769550 454568219 /nfs/dbraw/zinc/56/82/19/454568219.db2.gz WPARYTRIURCZSH-HNNXBMFYSA-N 2 0 347.503 3.426 10 0 EGAERP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@@H]1CCCC[C@H](c2ccccc2)C1 ZINC000623618782 460643506 /nfs/dbraw/zinc/64/35/06/460643506.db2.gz DOZFNCIAWKCUPW-ZCNNSNEGSA-N 2 0 343.515 3.032 10 0 EGAERP Cc1ccc(O)c(C[NH+]2CCC(C[N@@H+](C)Cc3ccccc3)CC2)n1 ZINC000093006766 454670083 /nfs/dbraw/zinc/67/00/83/454670083.db2.gz JPWWWKHCNZSRCY-UHFFFAOYSA-N 2 0 339.483 3.440 10 0 EGAERP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCCCC3)CC2)c(C)o1 ZINC000143343335 454842557 /nfs/dbraw/zinc/84/25/57/454842557.db2.gz NSTCJVMBWGALKM-UHFFFAOYSA-N 2 0 348.487 3.463 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)[C@H](C)C1 ZINC000151043504 454929543 /nfs/dbraw/zinc/92/95/43/454929543.db2.gz HLDILWWRTLPLFS-VQIMIIECSA-N 2 0 329.488 3.023 10 0 EGAERP CCC[N@@H+]1CC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000151107006 454938310 /nfs/dbraw/zinc/93/83/10/454938310.db2.gz ALEJOWHYCYIPPB-FQEVSTJZSA-N 2 0 329.532 3.015 10 0 EGAERP Cc1nc(C(C)C)sc1[C@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151264337 454960827 /nfs/dbraw/zinc/96/08/27/454960827.db2.gz PDFMJEXARJJRPU-DZGCQCFKSA-N 2 0 325.522 3.072 10 0 EGAERP C[C@H](CNCc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000127404506 454961719 /nfs/dbraw/zinc/96/17/19/454961719.db2.gz KIQYBQWZVGNCPY-GFCCVEGCSA-N 2 0 329.257 3.410 10 0 EGAERP Cn1cc([C@H]2CC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000128479735 455060377 /nfs/dbraw/zinc/06/03/77/455060377.db2.gz YIEWUHCNDPJWCK-IBGZPJMESA-N 2 0 340.515 3.368 10 0 EGAERP CCC[C@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000155989544 455069713 /nfs/dbraw/zinc/06/97/13/455069713.db2.gz CWVOXCSQZUGQPV-PKOBYXMFSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](CCCc1nc(-c2cccs2)no1)C[C@@H]1CCC[NH+](C)C1 ZINC000152503610 455128500 /nfs/dbraw/zinc/12/85/00/455128500.db2.gz LJKNLYRNJVYICM-CQSZACIVSA-N 2 0 334.489 3.004 10 0 EGAERP Cn1cc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000180120229 455135273 /nfs/dbraw/zinc/13/52/73/455135273.db2.gz VJBDNZLJENPHNP-SEJPIABJSA-N 2 0 338.499 3.138 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CCOCC(F)(F)C(F)F)C2)[nH+]1 ZINC000189367772 455185829 /nfs/dbraw/zinc/18/58/29/455185829.db2.gz HWZSPLXRCZKOLA-ZDUSSCGKSA-N 2 0 349.372 3.041 10 0 EGAERP C(CC[N@@H+]1CCO[C@H]2CCCC[C@H]21)C[NH+]1CCO[C@H]2CCCC[C@@H]21 ZINC000157640389 455216546 /nfs/dbraw/zinc/21/65/46/455216546.db2.gz DDVHPDARDNMAIT-YRPNKDGESA-N 2 0 336.520 3.053 10 0 EGAERP C[N@H+](C[C@H]1CC[NH+](Cc2ccccc2)C1)C[C@](C)(O)c1ccccc1 ZINC000245445655 455302750 /nfs/dbraw/zinc/30/27/50/455302750.db2.gz KNOLCQBNIJHMRW-IRLDBZIGSA-N 2 0 338.495 3.348 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)c1c[nH+]ccc1N(C)C)c1ccccc1 ZINC000183559847 455305640 /nfs/dbraw/zinc/30/56/40/455305640.db2.gz SIWJEZDMHVUJLQ-HNNXBMFYSA-N 2 0 340.471 3.007 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000245766095 455376189 /nfs/dbraw/zinc/37/61/89/455376189.db2.gz QSMKNAKSCCZKHK-KSSFIOAISA-N 2 0 330.451 3.378 10 0 EGAERP C[C@@H](Cc1ccccc1)C[NH+]1CCN(CC[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000182035421 455421019 /nfs/dbraw/zinc/42/10/19/455421019.db2.gz AABXUNXETWZRNG-PCCBWWKXSA-N 2 0 343.559 3.356 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247251097 455579294 /nfs/dbraw/zinc/57/92/94/455579294.db2.gz ZSLNGPJCELFFLF-UKRRQHHQSA-N 2 0 347.894 3.222 10 0 EGAERP COC(=O)C1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000192438196 455616262 /nfs/dbraw/zinc/61/62/62/455616262.db2.gz PGHSDEXPBFBDOD-UHFFFAOYSA-N 2 0 330.472 3.104 10 0 EGAERP Cc1ccc(C[C@@H](C)[N@@H+](C)CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000192744383 455683989 /nfs/dbraw/zinc/68/39/89/455683989.db2.gz RCRXUVXDDSYEKQ-HXUWFJFHSA-N 2 0 331.548 3.274 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186215574 455717673 /nfs/dbraw/zinc/71/76/73/455717673.db2.gz GZNLHQGUDZEIGM-WOJBJXKFSA-N 2 0 346.515 3.072 10 0 EGAERP CCSc1cccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000186218855 455718921 /nfs/dbraw/zinc/71/89/21/455718921.db2.gz IWNJUPVWZBIZEA-INIZCTEOSA-N 2 0 336.545 3.323 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271686188 455721388 /nfs/dbraw/zinc/72/13/88/455721388.db2.gz JWPYBIOPKRJGKW-RLLQIKCJSA-N 2 0 344.499 3.172 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268961044 455745726 /nfs/dbraw/zinc/74/57/26/455745726.db2.gz XGMSHSKLGUUKLK-QRWLVFNGSA-N 2 0 327.472 3.334 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)[C@@H](C)C1 ZINC000285131798 455792931 /nfs/dbraw/zinc/79/29/31/455792931.db2.gz SKHLRABQKSPKCS-PKOBYXMFSA-N 2 0 343.515 3.018 10 0 EGAERP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271879026 455796425 /nfs/dbraw/zinc/79/64/25/455796425.db2.gz OZRCXKBOVAVLAD-IHPCNDPISA-N 2 0 330.516 3.284 10 0 EGAERP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@@H]([NH+](C)Cc2ccccc2)CC1 ZINC000252585994 455822275 /nfs/dbraw/zinc/82/22/75/455822275.db2.gz MRKYPWVXNCMYRV-NHCUHLMSSA-N 2 0 348.531 3.149 10 0 EGAERP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCCC[NH+](C)C)cc1 ZINC000286060540 455970224 /nfs/dbraw/zinc/97/02/24/455970224.db2.gz LKVPAPKEULFVMJ-FQEVSTJZSA-N 2 0 327.472 3.305 10 0 EGAERP CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261917021 455971811 /nfs/dbraw/zinc/97/18/11/455971811.db2.gz XDTRXKMAYAWHDC-NLWGTHIKSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261950064 455975504 /nfs/dbraw/zinc/97/55/04/455975504.db2.gz OCWCXDZLIMLUDQ-ZCNNSNEGSA-N 2 0 346.515 3.110 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000617008853 460706741 /nfs/dbraw/zinc/70/67/41/460706741.db2.gz NKRMKVLPISKQKA-IBGZPJMESA-N 2 0 343.515 3.275 10 0 EGAERP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272604444 456010177 /nfs/dbraw/zinc/01/01/77/456010177.db2.gz YYNFKTXHDKNCON-NYVOZVTQSA-N 2 0 338.495 3.090 10 0 EGAERP CCC(CC)(CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000262662771 456052258 /nfs/dbraw/zinc/05/22/58/456052258.db2.gz HFRBQOVJTVTXCT-KBAYOESNSA-N 2 0 331.504 3.140 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(O)[C@@H](C)CC)CC1 ZINC000236783767 456184047 /nfs/dbraw/zinc/18/40/47/456184047.db2.gz AEYBAYWNRROVCP-RXVVDRJESA-N 2 0 347.547 3.105 10 0 EGAERP CC(C)[C@@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994230 456209719 /nfs/dbraw/zinc/20/97/19/456209719.db2.gz CLAXZIXRKJBXJZ-AEFFLSMTSA-N 2 0 337.533 3.032 10 0 EGAERP COc1ccc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)c(Br)c1 ZINC000289999579 456211790 /nfs/dbraw/zinc/21/17/90/456211790.db2.gz LAHBUMXAYAIIQK-JSGCOSHPSA-N 2 0 341.293 3.372 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823513 456339453 /nfs/dbraw/zinc/33/94/53/456339453.db2.gz NPSWDTIJGVPFDC-UYAOXDASSA-N 2 0 342.531 3.176 10 0 EGAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)cc2)CC1 ZINC000337412094 456351770 /nfs/dbraw/zinc/35/17/70/456351770.db2.gz XIPLUNWIEQSWDX-PWRODBHTSA-N 2 0 327.516 3.102 10 0 EGAERP CC(C)(C)O[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657703155 462236850 /nfs/dbraw/zinc/23/68/50/462236850.db2.gz UYWIOQXBEKBSHV-QZTJIDSGSA-N 2 0 340.471 3.483 10 0 EGAERP CCN1CCC[C@@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032879 456577708 /nfs/dbraw/zinc/57/77/08/456577708.db2.gz YRDFYWNKJBCMFL-HZPDHXFCSA-N 2 0 327.513 3.144 10 0 EGAERP CCOC1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000658320044 462476344 /nfs/dbraw/zinc/47/63/44/462476344.db2.gz MQWBWCTVMOXFTC-XEVCZEQESA-N 2 0 328.500 3.446 10 0 EGAERP C[C@H](CCCCO)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319921 462476740 /nfs/dbraw/zinc/47/67/40/462476740.db2.gz JWRGOJLESXXNPX-QUCCMNQESA-N 2 0 330.516 3.429 10 0 EGAERP C[C@@H]1C[C@H](NC[C@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC[N@@H+]1C ZINC000658320038 462477144 /nfs/dbraw/zinc/47/71/44/462477144.db2.gz MLZCUWRJMQQBQT-HLAWJBBLSA-N 2 0 341.543 3.361 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CN1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000321279743 456636455 /nfs/dbraw/zinc/63/64/55/456636455.db2.gz IHDHPYHPPOADNJ-PBHICJAKSA-N 2 0 335.879 3.051 10 0 EGAERP COc1cc2cc[nH+]c(NC[C@H]3CC[N@@H+](C4CC4)C3)c2cc1OC ZINC000326166981 456691022 /nfs/dbraw/zinc/69/10/22/456691022.db2.gz WUKYWZWNBVLREB-CYBMUJFWSA-N 2 0 327.428 3.148 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000354101942 457063126 /nfs/dbraw/zinc/06/31/26/457063126.db2.gz XSZVJHYBIFPJII-QIBOZCLASA-N 2 0 332.488 3.141 10 0 EGAERP Cc1cc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C2CC2)ccc1F ZINC000359378206 457078523 /nfs/dbraw/zinc/07/85/23/457078523.db2.gz BUZOSGWLGHXECH-QUCCMNQESA-N 2 0 334.479 3.412 10 0 EGAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000373870744 457377073 /nfs/dbraw/zinc/37/70/73/457377073.db2.gz XPYWXZANEZQBMK-AEFFLSMTSA-N 2 0 335.536 3.020 10 0 EGAERP COc1cc2c(cc1C[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)O[C@@H](C)C2 ZINC000378948988 457414083 /nfs/dbraw/zinc/41/40/83/457414083.db2.gz NXXKBBDPGDQWEG-DXJOGWAWSA-N 2 0 330.472 3.124 10 0 EGAERP C[C@H](CCC(C)(C)C)[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000342709490 457471477 /nfs/dbraw/zinc/47/14/77/457471477.db2.gz MLIOJYJEDQSZRM-MRXNPFEDSA-N 2 0 333.520 3.282 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000397580428 457488411 /nfs/dbraw/zinc/48/84/11/457488411.db2.gz DYWVKQRBCLMZAR-KRWDZBQOSA-N 2 0 340.467 3.070 10 0 EGAERP COC(=O)c1ccccc1-c1ccc(C[NH2+]CCCC[NH+](C)C)o1 ZINC000360981939 457488692 /nfs/dbraw/zinc/48/86/92/457488692.db2.gz PIVJRAAXSKJLDK-UHFFFAOYSA-N 2 0 330.428 3.165 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000425358839 457518491 /nfs/dbraw/zinc/51/84/91/457518491.db2.gz REGSGNUPRPYQNV-QANKJYHBSA-N 2 0 337.508 3.122 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000400912829 457519853 /nfs/dbraw/zinc/51/98/53/457519853.db2.gz CCAXNWGTZVDHCD-VWNJHIHFSA-N 2 0 337.305 3.358 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426100963 457773145 /nfs/dbraw/zinc/77/31/45/457773145.db2.gz POTUBPPDNAYZQF-CEXWTWQISA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000358378130 457964304 /nfs/dbraw/zinc/96/43/04/457964304.db2.gz BQZNABWLPMMHKI-SFHVURJKSA-N 2 0 343.515 3.163 10 0 EGAERP CN1CCN(C(=O)CC2CC[NH+](CCCC3CCCCC3)CC2)CC1 ZINC000428278822 458111745 /nfs/dbraw/zinc/11/17/45/458111745.db2.gz UIUBFNTZWFGABK-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP O=c1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)nc(C2CC2)[nH]1 ZINC000459335224 458334025 /nfs/dbraw/zinc/33/40/25/458334025.db2.gz HRTVXOMZTGUHRS-INIZCTEOSA-N 2 0 344.503 3.148 10 0 EGAERP C[C@@H]1CCC[N@H+](CCCC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447935639 458368406 /nfs/dbraw/zinc/36/84/06/458368406.db2.gz IMJUPHOAZZQSFL-GOSISDBHSA-N 2 0 326.488 3.474 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1Cl ZINC000423507635 458445679 /nfs/dbraw/zinc/44/56/79/458445679.db2.gz JXFOTXMDKDUCSH-IUDNXUCKSA-N 2 0 339.886 3.346 10 0 EGAERP Clc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423525082 458451121 /nfs/dbraw/zinc/45/11/21/458451121.db2.gz XVARBPDSBCIPKC-TVPLGVNVSA-N 2 0 333.907 3.133 10 0 EGAERP Cc1cccc(C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)c1 ZINC000423523129 458451278 /nfs/dbraw/zinc/45/12/78/458451278.db2.gz VPMSXSPTVBWILL-LZBANZJXSA-N 2 0 341.543 3.122 10 0 EGAERP CC1=CCC[C@H](C)[C@@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377703594 458511586 /nfs/dbraw/zinc/51/15/86/458511586.db2.gz VGRJQOVQKDDGJG-FYKRDEHLSA-N 2 0 331.548 3.222 10 0 EGAERP F[C@]1(c2ccccc2)C[C@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000424199818 458582978 /nfs/dbraw/zinc/58/29/78/458582978.db2.gz QIFJQGFEHLIFPM-UXHICEINSA-N 2 0 325.431 3.273 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789355 458653810 /nfs/dbraw/zinc/65/38/10/458653810.db2.gz LGWLFNULZYYVNM-QGZVFWFLSA-N 2 0 332.488 3.463 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000530176086 458707439 /nfs/dbraw/zinc/70/74/39/458707439.db2.gz BAZGXOMTTYTLTA-CZUORRHYSA-N 2 0 335.879 3.240 10 0 EGAERP CC[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475024677 458912446 /nfs/dbraw/zinc/91/24/46/458912446.db2.gz TYBFHQBBRYQKGT-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CN(C)[C@H](C(=O)N1CCC(c2c[nH]cn2)CC1)c1cccc(Cl)c1 ZINC000531434847 458917923 /nfs/dbraw/zinc/91/79/23/458917923.db2.gz AAPURMKLCYFQHF-KRWDZBQOSA-N 2 0 346.862 3.072 10 0 EGAERP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+](C)C ZINC000531707276 458964480 /nfs/dbraw/zinc/96/44/80/458964480.db2.gz HZMNLPCNYXKPGB-ZDUSSCGKSA-N 2 0 345.409 3.354 10 0 EGAERP C[NH2+][C@H](CC(C)(C)C)C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000567729041 459155852 /nfs/dbraw/zinc/15/58/52/459155852.db2.gz JVEMNZSIPLACPF-LJQANCHMSA-N 2 0 345.531 3.313 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C3CC3)CC2)CC1 ZINC000533563290 459254304 /nfs/dbraw/zinc/25/43/04/459254304.db2.gz SNWUMFKWEWOLKA-UHFFFAOYSA-N 2 0 327.516 3.498 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000569434402 459449080 /nfs/dbraw/zinc/44/90/80/459449080.db2.gz JXRGTZDPTKHMSZ-ICSRJNTNSA-N 2 0 329.532 3.013 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCCC[C@@H]1C[C@H](C)O ZINC000582932133 459454065 /nfs/dbraw/zinc/45/40/65/459454065.db2.gz RDBAQWPKMFJHMI-HNAYVOBHSA-N 2 0 328.460 3.091 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000569463201 459455739 /nfs/dbraw/zinc/45/57/39/459455739.db2.gz MIAHCBUPMGBUSX-UHFFFAOYSA-N 2 0 329.532 3.493 10 0 EGAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350939 459716918 /nfs/dbraw/zinc/71/69/18/459716918.db2.gz JFGYGRVPOGSWIF-GJZGRUSLSA-N 2 0 327.476 3.276 10 0 EGAERP COCCOCc1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1 ZINC000527751057 459725126 /nfs/dbraw/zinc/72/51/26/459725126.db2.gz FKJYUQMRGUYGBT-OAQYLSRUSA-N 2 0 346.515 3.346 10 0 EGAERP COc1ccc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000527988292 459788954 /nfs/dbraw/zinc/78/89/54/459788954.db2.gz CVSQUFQPIGUELV-XLIONFOSSA-N 2 0 339.483 3.133 10 0 EGAERP C[NH+](C)C[C@H](NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000528007287 459795086 /nfs/dbraw/zinc/79/50/86/459795086.db2.gz FYLYFRYJOVKTMU-INIZCTEOSA-N 2 0 330.303 3.280 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599069213 460151152 /nfs/dbraw/zinc/15/11/52/460151152.db2.gz DCJLWHMTIIHNQO-HNAYVOBHSA-N 2 0 330.472 3.172 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)[C@@H](C)C1 ZINC000631663275 460498626 /nfs/dbraw/zinc/49/86/26/460498626.db2.gz XEXQPZBFOIBSJG-XKLXXKPTSA-N 2 0 349.316 3.407 10 0 EGAERP COc1cc([C@@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623357949 460507163 /nfs/dbraw/zinc/50/71/63/460507163.db2.gz IKRPYVJAZOVYHT-HIFRSBDPSA-N 2 0 336.476 3.236 10 0 EGAERP COc1ccc(C2(C[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CCOCC2)cc1 ZINC000623374585 460515514 /nfs/dbraw/zinc/51/55/14/460515514.db2.gz FZSWKBCKBWKNIO-GOSISDBHSA-N 2 0 346.515 3.206 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000623376278 460516967 /nfs/dbraw/zinc/51/69/67/460516967.db2.gz MRFYWCYJKFRENY-HXUWFJFHSA-N 3 0 329.532 3.361 10 0 EGAERP C[C@H]([NH2+][C@]1(CO)CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421628 460539099 /nfs/dbraw/zinc/53/90/99/460539099.db2.gz TYXKYOFFEGKLJX-LRGNLBRXSA-N 2 0 328.500 3.038 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCNc2ncc(Cl)cc2Cl)CC1(C)C ZINC000623429099 460543162 /nfs/dbraw/zinc/54/31/62/460543162.db2.gz MVINAUHZJZIJFE-GFCCVEGCSA-N 2 0 331.291 3.263 10 0 EGAERP [NH3+]C1(C[NH2+][C@H](CCc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000629389474 460745949 /nfs/dbraw/zinc/74/59/49/460745949.db2.gz YHLWYSCEFRQKDR-OAQYLSRUSA-N 2 0 338.495 3.328 10 0 EGAERP COc1ccc([C@H]([NH2+]CCOCCC[NH3+])c2ccccc2Cl)cc1 ZINC000629539554 460800830 /nfs/dbraw/zinc/80/08/30/460800830.db2.gz QDLGWQMPJFRKBC-IBGZPJMESA-N 2 0 348.874 3.393 10 0 EGAERP COc1ccc([C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1F ZINC000629588457 460817511 /nfs/dbraw/zinc/81/75/11/460817511.db2.gz HXHDKMUQZXKWDO-SFHVURJKSA-N 2 0 340.442 3.470 10 0 EGAERP COc1ccc(-c2ccccc2C)cc1C[NH2+]CCOCCC[NH3+] ZINC000629681639 460865043 /nfs/dbraw/zinc/86/50/43/460865043.db2.gz SEHFZMSULMLKKI-UHFFFAOYSA-N 2 0 328.456 3.126 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000659020344 461142300 /nfs/dbraw/zinc/14/23/00/461142300.db2.gz ZJRBZQAUYHIRLF-OAHLLOKOSA-N 2 0 332.492 3.038 10 0 EGAERP Fc1ccccc1CC[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662251326 461144674 /nfs/dbraw/zinc/14/46/74/461144674.db2.gz CUYOQNXATVSOJW-SFHVURJKSA-N 2 0 332.463 3.134 10 0 EGAERP C[C@@H]1C[C@H]1c1noc(CC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000652353129 461146141 /nfs/dbraw/zinc/14/61/41/461146141.db2.gz FRMIXHKEGKSIOM-CRAIPNDOSA-N 2 0 346.519 3.227 10 0 EGAERP Cc1ccccc1OCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363033 461154122 /nfs/dbraw/zinc/15/41/22/461154122.db2.gz VZMDAJWVHHHSJC-GGPKGHCWSA-N 2 0 332.488 3.125 10 0 EGAERP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652362003 461155796 /nfs/dbraw/zinc/15/57/96/461155796.db2.gz VLNUBAYWRSXYFD-HMXCVIKNSA-N 2 0 346.515 3.433 10 0 EGAERP c1ccc(C[C@H]2c3ccccc3CC[N@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662279512 461163998 /nfs/dbraw/zinc/16/39/98/461163998.db2.gz KUANLRCBOXZTHJ-IRLDBZIGSA-N 2 0 348.490 3.350 10 0 EGAERP c1cn(C2CCN(Cc3nnn(-c4ccccc4)c3C3CC3)CC2)cn1 ZINC000637982339 461168759 /nfs/dbraw/zinc/16/87/59/461168759.db2.gz BNXCCIJBOLMEFQ-UHFFFAOYSA-N 2 0 348.454 3.178 10 0 EGAERP CSc1ccc(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662299128 461178135 /nfs/dbraw/zinc/17/81/35/461178135.db2.gz ZUFNCVHHYDKYGV-INIZCTEOSA-N 2 0 347.528 3.059 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662350482 461205074 /nfs/dbraw/zinc/20/50/74/461205074.db2.gz CHVDWMVFWJJRDT-APWZRJJASA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662450774 461247860 /nfs/dbraw/zinc/24/78/60/461247860.db2.gz VXWRETXNUBLCRY-MDZRGWNJSA-N 2 0 343.515 3.058 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000659293867 461278918 /nfs/dbraw/zinc/27/89/18/461278918.db2.gz YXFKTVNKWXGJSV-LIRRHRJNSA-N 2 0 337.467 3.015 10 0 EGAERP C[C@H](COc1c(F)cccc1F)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000668533448 461319130 /nfs/dbraw/zinc/31/91/30/461319130.db2.gz JYSVNTFCZHVBMU-CQSZACIVSA-N 2 0 347.409 3.386 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccccc3[C@@H](C)C2)CC1 ZINC000649835442 461391705 /nfs/dbraw/zinc/39/17/05/461391705.db2.gz JEPSIBVDHHRKKC-IBGZPJMESA-N 2 0 329.532 3.064 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@H]2CCCO2)C1 ZINC000655804564 461464019 /nfs/dbraw/zinc/46/40/19/461464019.db2.gz ZNMHZHLEBYTQIT-QNDJGXFYSA-N 2 0 336.907 3.360 10 0 EGAERP COc1cc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000655806271 461465749 /nfs/dbraw/zinc/46/57/49/461465749.db2.gz TYPTYHJHHNBQER-BZPMIXESSA-N 2 0 328.403 3.287 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+]Cc2ccc(C(F)F)nc2)cc1 ZINC000631066477 461517362 /nfs/dbraw/zinc/51/73/62/461517362.db2.gz ZXCWHGARVISABG-UHFFFAOYSA-N 2 0 349.425 3.292 10 0 EGAERP CC(C)[NH+]1CCC(O)(C[NH2+]Cc2ccccc2CC(F)(F)F)CC1 ZINC000631089840 461539219 /nfs/dbraw/zinc/53/92/19/461539219.db2.gz FAKKZNPSYDIICE-UHFFFAOYSA-N 2 0 344.421 3.116 10 0 EGAERP Cn1cnc2cc(C[NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)ccc21 ZINC000647249356 461587414 /nfs/dbraw/zinc/58/74/14/461587414.db2.gz VCAQJNZCUNNKMO-MOPGFXCFSA-N 2 0 334.467 3.008 10 0 EGAERP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1ccncc1 ZINC000647294849 461618483 /nfs/dbraw/zinc/61/84/83/461618483.db2.gz PXWRXZYNKFPXCH-XUVXKRRUSA-N 2 0 331.504 3.136 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000631195124 461634413 /nfs/dbraw/zinc/63/44/13/461634413.db2.gz TTZRGJLGQFXWAO-RLLQIKCJSA-N 2 0 329.532 3.217 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(C)nc1-c1cc2ccccc2o1 ZINC000663497707 461673091 /nfs/dbraw/zinc/67/30/91/461673091.db2.gz FFJNUIGWQCOOSS-MRXNPFEDSA-N 2 0 326.444 3.296 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](OC2CCC2)C1 ZINC000656272533 461696472 /nfs/dbraw/zinc/69/64/72/461696472.db2.gz WXKLIPSZMODLLX-LJQANCHMSA-N 2 0 326.444 3.109 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953596 461886656 /nfs/dbraw/zinc/88/66/56/461886656.db2.gz BQPHMPCTZZUGRZ-YJBOKZPZSA-N 2 0 329.488 3.259 10 0 EGAERP CCn1c2ccccc2nc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656784945 461894402 /nfs/dbraw/zinc/89/44/02/461894402.db2.gz IHVCGGUHDJVDLU-QGZVFWFLSA-N 2 0 326.488 3.268 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCCOc3ccccc3)C2)C1 ZINC000650708100 461901158 /nfs/dbraw/zinc/90/11/58/461901158.db2.gz SYPAEVYFHDSCQW-NSHGMRRFSA-N 2 0 332.488 3.064 10 0 EGAERP C[N@@H+]1CC[C@]2(C1)CCCN(CCCc1nc(-c3cccs3)no1)C2 ZINC000660655223 461904962 /nfs/dbraw/zinc/90/49/62/461904962.db2.gz KPBASKHWBVBJTJ-SFHVURJKSA-N 2 0 346.500 3.148 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(C)cc1-c1ccnn1C ZINC000650720319 461913363 /nfs/dbraw/zinc/91/33/63/461913363.db2.gz LJLXMVBNIVUIFE-UHFFFAOYSA-N 2 0 334.467 3.405 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCCOc2ccccc2)C1 ZINC000650725349 461917905 /nfs/dbraw/zinc/91/79/05/461917905.db2.gz YXFRBRUNXMKORO-YZGWKJHDSA-N 2 0 332.488 3.206 10 0 EGAERP COc1ccc([C@@H](NCCC[N@H+](C)CC(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000650739917 461927909 /nfs/dbraw/zinc/92/79/09/461927909.db2.gz BNCYDXMQPPSXDN-WOJBJXKFSA-N 2 0 333.520 3.056 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657311158 462035870 /nfs/dbraw/zinc/03/58/70/462035870.db2.gz XOZYJLXBLJNNPC-KRWDZBQOSA-N 2 0 338.499 3.494 10 0 EGAERP Cn1ncc(C(F)(F)F)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000657359095 462070538 /nfs/dbraw/zinc/07/05/38/462070538.db2.gz SCGXTLPPJPZNMC-UHFFFAOYSA-N 2 0 332.414 3.185 10 0 EGAERP CC(C)(C)[C@H]1OCCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657363793 462072884 /nfs/dbraw/zinc/07/28/84/462072884.db2.gz CCSKLFMKENRALZ-QAPCUYQASA-N 2 0 328.460 3.198 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCCC2 ZINC000657381109 462084799 /nfs/dbraw/zinc/08/47/99/462084799.db2.gz CRQJPVJXHWZLDB-ROUUACIJSA-N 2 0 326.444 3.095 10 0 EGAERP C[C@H](CCNCc1ccnn1-c1cc[nH+]cc1)[N@H+](C)Cc1ccccc1 ZINC000657384031 462086792 /nfs/dbraw/zinc/08/67/92/462086792.db2.gz QSIJTYRGVJJZLT-GOSISDBHSA-N 2 0 349.482 3.268 10 0 EGAERP c1cc2cccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c2[nH]1 ZINC000657536266 462170686 /nfs/dbraw/zinc/17/06/86/462170686.db2.gz ZWINPBGBRHKKOG-UHFFFAOYSA-N 2 0 327.472 3.149 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ncc(-c2ccccc2)s1 ZINC000657572626 462187192 /nfs/dbraw/zinc/18/71/92/462187192.db2.gz DEHOTEOAGVHKOG-INIZCTEOSA-N 2 0 346.544 3.172 10 0 EGAERP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597685 462199893 /nfs/dbraw/zinc/19/98/93/462199893.db2.gz WLGZZXYWYWNLBT-KKSFZXQISA-N 2 0 342.458 3.113 10 0 EGAERP CCn1cncc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773613 462261609 /nfs/dbraw/zinc/26/16/09/462261609.db2.gz UDNYVCZNUPUQCO-LJQANCHMSA-N 2 0 338.499 3.295 10 0 EGAERP C[N@@H+]1CCN(CCC[NH2+][C@H]2CCCSCC2)[C@H](c2ccccc2)C1 ZINC000657834612 462289401 /nfs/dbraw/zinc/28/94/01/462289401.db2.gz LTPQGKFFVFRBIS-PMACEKPBSA-N 2 0 347.572 3.241 10 0 EGAERP CC1(C)CN(C2(C[NH2+]C3CC(CF)(CF)C3)CCCCC2)CCO1 ZINC000657875629 462303995 /nfs/dbraw/zinc/30/39/95/462303995.db2.gz HLNXGDWGQIKLOQ-UHFFFAOYSA-N 2 0 344.490 3.478 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCSCC1 ZINC000657970124 462331769 /nfs/dbraw/zinc/33/17/69/462331769.db2.gz YGOGOEQTVGPUQW-OALUTQOASA-N 2 0 334.529 3.019 10 0 EGAERP CN1CC[NH+](Cc2ccccc2-c2ccc(CC[NH+](C)C)cc2)CC1 ZINC000665191007 462348057 /nfs/dbraw/zinc/34/80/57/462348057.db2.gz ZOLVEWCKRMJIRA-UHFFFAOYSA-N 2 0 337.511 3.205 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nsc2ccccc12 ZINC000665275212 462380333 /nfs/dbraw/zinc/38/03/33/462380333.db2.gz FKHRNKJQAXZHHP-KBXCAEBGSA-N 2 0 325.481 3.387 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000665285266 462384955 /nfs/dbraw/zinc/38/49/55/462384955.db2.gz IFXGUNHEXXOGLL-GOSISDBHSA-N 2 0 345.531 3.253 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H](C4CC4)C3)cc2)C1 ZINC000658135660 462398946 /nfs/dbraw/zinc/39/89/46/462398946.db2.gz AGKZVUHYXYFIII-PWRODBHTSA-N 2 0 328.500 3.312 10 0 EGAERP CC(C)[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138790 462401924 /nfs/dbraw/zinc/40/19/24/462401924.db2.gz OFASBYYHRNACEZ-RTWAWAEBSA-N 2 0 339.483 3.135 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cs1 ZINC000658140642 462403269 /nfs/dbraw/zinc/40/32/69/462403269.db2.gz VSMZLMBCIPXBDS-DNVCBOLYSA-N 2 0 330.497 3.474 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000658169598 462418575 /nfs/dbraw/zinc/41/85/75/462418575.db2.gz HJMNJBOXIMAUOM-CRAIPNDOSA-N 2 0 338.442 3.096 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000658332836 462478996 /nfs/dbraw/zinc/47/89/96/462478996.db2.gz WCKYNZFVYQAQEF-PKOBYXMFSA-N 2 0 330.516 3.487 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCCC2)[C@H](C)C1 ZINC000658329834 462479648 /nfs/dbraw/zinc/47/96/48/462479648.db2.gz OLPFAKJOYLDBHB-HOJAQTOUSA-N 2 0 340.552 3.308 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192785070 529042682 /nfs/dbraw/zinc/04/26/82/529042682.db2.gz LNSBDXINGKFSCM-HNNXBMFYSA-N 2 0 325.447 3.032 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH+]1CCC(OCCCO)CC1 ZINC000093694651 546686079 /nfs/dbraw/zinc/68/60/79/546686079.db2.gz XTQCOJHMCBEIMD-UHFFFAOYSA-N 2 0 348.531 3.008 10 0 EGAERP C[C@@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152983163 546876023 /nfs/dbraw/zinc/87/60/23/546876023.db2.gz AXIAVFOABPQOMS-WIYYLYMNSA-N 2 0 329.532 3.361 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000671744379 548351110 /nfs/dbraw/zinc/35/11/10/548351110.db2.gz BGRUSAHBBNQZLR-CMOCDZPBSA-N 2 0 341.543 3.361 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000671746448 548351273 /nfs/dbraw/zinc/35/12/73/548351273.db2.gz MRQPIXIVFPZOBQ-FZCLSBEQSA-N 2 0 335.442 3.006 10 0 EGAERP CC[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)[NH+](CC)CC ZINC000673751696 548615062 /nfs/dbraw/zinc/61/50/62/548615062.db2.gz WNTZOOVQNSPSGW-ICSRJNTNSA-N 2 0 345.531 3.230 10 0 EGAERP C[C@H]1C[C@@H](N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119370377 1293268082 /nfs/dbraw/zinc/26/80/82/1293268082.db2.gz DQULKTWGRDDRJW-FPOVZHCZSA-N 2 0 329.532 3.457 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H]2CCC[C@@H]2O)cc1C[NH+]1CCCCC1 ZINC000183295177 1295109844 /nfs/dbraw/zinc/10/98/44/1295109844.db2.gz BGRRRQYCDKIACZ-SNRMKQJTSA-N 2 0 332.488 3.245 10 0 EGAERP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1 ZINC000872060100 1296706895 /nfs/dbraw/zinc/70/68/95/1296706895.db2.gz MCXPOSWTGIZILK-DLBZAZTESA-N 2 0 344.421 3.464 10 0 EGAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000872075984 1296720597 /nfs/dbraw/zinc/72/05/97/1296720597.db2.gz HJGRQYFZBLIBTR-SEBOWIOWSA-N 2 0 334.479 3.377 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000872086732 1296725499 /nfs/dbraw/zinc/72/54/99/1296725499.db2.gz XKKCJAVSCLVVCF-IAGOWNOFSA-N 2 0 344.421 3.464 10 0 EGAERP Brc1ccc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)nc1 ZINC000873232791 1297374532 /nfs/dbraw/zinc/37/45/32/1297374532.db2.gz MJPURCGWKBZMSG-OAHLLOKOSA-N 2 0 338.293 3.246 10 0 EGAERP C[C@@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000379760286 1297540616 /nfs/dbraw/zinc/54/06/16/1297540616.db2.gz BAUYXZQKIVJEDH-CTNGQTDRSA-N 2 0 329.532 3.361 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]CCCCCCNC(=O)OC(C)(C)C)CC1 ZINC000700565179 1298175968 /nfs/dbraw/zinc/17/59/68/1298175968.db2.gz YTMSEGYMWCRHQC-INIZCTEOSA-N 2 0 327.513 3.145 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CCc2ccc(Br)cc2)CC1 ZINC000715206403 1298277969 /nfs/dbraw/zinc/27/79/69/1298277969.db2.gz SWOZBPYZWMYNGE-UHFFFAOYSA-N 2 0 325.294 3.454 10 0 EGAERP C[N@@H+](Cc1cccc(C[NH3+])c1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719965325 1298325711 /nfs/dbraw/zinc/32/57/11/1298325711.db2.gz SNVRMGXFJPBMMQ-UHFFFAOYSA-N 3 0 337.511 3.489 10 0 EGAERP C[C@@H]1CCOCC[NH+]1C[C@@H](C[N@H+]1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373489 1299953583 /nfs/dbraw/zinc/95/35/83/1299953583.db2.gz MMAZKFHSHGDEMV-RUYXUALKSA-N 2 0 338.536 3.014 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(-n2ccnc2)c1 ZINC000878396441 1299970327 /nfs/dbraw/zinc/97/03/27/1299970327.db2.gz IKNNVCWTSQFAGP-LPHOPBHVSA-N 2 0 341.455 3.109 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H](O)C(C)C ZINC000886627320 1303530912 /nfs/dbraw/zinc/53/09/12/1303530912.db2.gz YYWYYLHOBRENFK-HGJUEJDCSA-N 2 0 330.516 3.425 10 0 EGAERP Cc1noc2ncc(C[NH2+]CCCC[NH+]3C[C@@H](C)C[C@H](C)C3)cc12 ZINC000894181275 1306265043 /nfs/dbraw/zinc/26/50/43/1306265043.db2.gz QXJLSWZHQREACL-GJZGRUSLSA-N 2 0 330.476 3.379 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]CC[C@@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000894359462 1306360045 /nfs/dbraw/zinc/36/00/45/1306360045.db2.gz PKZRSDHIHFHSPP-PKOBYXMFSA-N 2 0 338.499 3.363 10 0 EGAERP COC(=O)c1cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)[nH]c1C(C)C ZINC000894780108 1309066742 /nfs/dbraw/zinc/06/67/42/1309066742.db2.gz XAMJYSFOLNZMPG-MRXNPFEDSA-N 2 0 347.503 3.088 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929771415 1328695512 /nfs/dbraw/zinc/69/55/12/1328695512.db2.gz OPIJCQUUQCORCV-GOSISDBHSA-N 2 0 343.471 3.274 10 0 EGAERP C[C@@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CCN1C ZINC000929779501 1328697655 /nfs/dbraw/zinc/69/76/55/1328697655.db2.gz ANISSMRJOURMQM-WCXIOVBPSA-N 2 0 339.524 3.094 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+]([C@H](C)c2ccc(F)nc2)CC1 ZINC000930144407 1328797917 /nfs/dbraw/zinc/79/79/17/1328797917.db2.gz DONQQIIHRIWGTB-MRXNPFEDSA-N 2 0 337.483 3.352 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000915130360 1319430697 /nfs/dbraw/zinc/43/06/97/1319430697.db2.gz DQSZTFUHEGDDEU-QZTJIDSGSA-N 2 0 335.536 3.116 10 0 EGAERP Brc1c[nH]c(C[NH2+]CCCCCCC[NH+]2CCCC2)n1 ZINC000921686120 1322378020 /nfs/dbraw/zinc/37/80/20/1322378020.db2.gz GBBZIRRPZIAOFK-UHFFFAOYSA-N 2 0 343.313 3.308 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000922211240 1322479465 /nfs/dbraw/zinc/47/94/65/1322479465.db2.gz AKMAUEPWLWUBPM-AFDCHOCNSA-N 2 0 328.500 3.127 10 0 EGAERP CN1CC[C@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000923378194 1322743128 /nfs/dbraw/zinc/74/31/28/1322743128.db2.gz IYCKPZZUQOAZBT-UDBSCDTGSA-N 2 0 349.469 3.220 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923413875 1322746902 /nfs/dbraw/zinc/74/69/02/1322746902.db2.gz JJBIRGGZSHQQGJ-WBVHZDCISA-N 2 0 328.859 3.209 10 0 EGAERP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451023 1322753988 /nfs/dbraw/zinc/75/39/88/1322753988.db2.gz KTWYLHPXUUZZFD-NVXWUHKLSA-N 2 0 341.455 3.232 10 0 EGAERP COc1cccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)c1 ZINC000923502901 1322763474 /nfs/dbraw/zinc/76/34/74/1322763474.db2.gz ZXIQCBPJLKYENP-ZFWWWQNUSA-N 2 0 331.485 3.235 10 0 EGAERP C[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@@H]1C[NH3+] ZINC000923500884 1322763541 /nfs/dbraw/zinc/76/35/41/1322763541.db2.gz PRFJUKKZWVZUOC-SJLPKXTDSA-N 2 0 334.467 3.418 10 0 EGAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1nc(-c2cccs2)no1 ZINC000923554368 1322776340 /nfs/dbraw/zinc/77/63/40/1322776340.db2.gz NSABXDHKEVGZEP-AGUYFDCRSA-N 2 0 332.473 3.151 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[NH+]2CCC(C)CC2)n(C)n1 ZINC000924580947 1323061878 /nfs/dbraw/zinc/06/18/78/1323061878.db2.gz ZSQQMDYPDLZIDZ-AZUAARDMSA-N 2 0 332.536 3.151 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]C3[C@H](C)COC[C@H]3C)cc2)C[C@H](C)O1 ZINC000924609432 1323073327 /nfs/dbraw/zinc/07/33/27/1323073327.db2.gz HHDPNKCOJWDTOU-TVFCKZIOSA-N 2 0 346.515 3.056 10 0 EGAERP C[C@@H]([NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1)c1ccns1 ZINC000924644041 1323090117 /nfs/dbraw/zinc/09/01/17/1323090117.db2.gz RARAHTUUYHJPBM-SJLPKXTDSA-N 2 0 344.528 3.173 10 0 EGAERP CC(C)[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925027941 1323249668 /nfs/dbraw/zinc/24/96/68/1323249668.db2.gz JKBSUUPXAGKXFH-RTWAWAEBSA-N 2 0 346.515 3.312 10 0 EGAERP C[C@H]1C[N@@H+](C2CC(OCc3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000931684469 1329164291 /nfs/dbraw/zinc/16/42/91/1329164291.db2.gz SQVGWNXXQFFIAW-RPCJCACASA-N 2 0 337.467 3.340 10 0 EGAERP COC/C(C)=C/C[NH+](C)[C@@H]1CC[C@@H]([N@@H+](C)C/C=C(/C)COC)CC1 ZINC000931737342 1329175140 /nfs/dbraw/zinc/17/51/40/1329175140.db2.gz IPPHSEGUVGEAQT-BHUVTEIWSA-N 2 0 338.536 3.347 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925504687 1325182480 /nfs/dbraw/zinc/18/24/80/1325182480.db2.gz LRWCPMNCCUGGSN-RTBURBONSA-N 2 0 332.488 3.004 10 0 EGAERP COc1cccc([C@H](CN[C@@H]2C[C@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000925507271 1325183483 /nfs/dbraw/zinc/18/34/83/1325183483.db2.gz VMCQLHOUVUPDCH-NSHGMRRFSA-N 2 0 345.531 3.328 10 0 EGAERP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529104 1325192190 /nfs/dbraw/zinc/19/21/90/1325192190.db2.gz YWFRTNLYTQDWRZ-GUSZCTEKSA-N 2 0 345.487 3.353 10 0 EGAERP CC1(C)[C@@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925528238 1325192500 /nfs/dbraw/zinc/19/25/00/1325192500.db2.gz QTEYXOPINBXOMP-AABGKKOBSA-N 2 0 327.516 3.149 10 0 EGAERP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529101 1325192514 /nfs/dbraw/zinc/19/25/14/1325192514.db2.gz YWFRTNLYTQDWRZ-CRNXPOROSA-N 2 0 345.487 3.353 10 0 EGAERP COc1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536324 1325196845 /nfs/dbraw/zinc/19/68/45/1325196845.db2.gz CZLGGIGIKACACM-STQMWFEESA-N 2 0 328.403 3.292 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925564752 1325211765 /nfs/dbraw/zinc/21/17/65/1325211765.db2.gz LPBKMLBZEVPBGV-WOJBJXKFSA-N 3 0 329.532 3.394 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925582933 1325220669 /nfs/dbraw/zinc/22/06/69/1325220669.db2.gz BVPJTHLRQWJUDD-SQNIBIBYSA-N 2 0 343.446 3.389 10 0 EGAERP CC1(C)[C@@H]([NH2+]C2CCC(O)(c3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925639831 1325243483 /nfs/dbraw/zinc/24/34/83/1325243483.db2.gz NMUCVVGQEGDVKV-DXWXDBEXSA-N 2 0 328.500 3.183 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C[C@@H]([NH3+])C1 ZINC000925661283 1325253277 /nfs/dbraw/zinc/25/32/77/1325253277.db2.gz CVKYCKVMCVIKHS-CIDNJEQPSA-N 2 0 347.469 3.287 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925666059 1325254022 /nfs/dbraw/zinc/25/40/22/1325254022.db2.gz PLPZLJCUSRGFBJ-RTWAWAEBSA-N 2 0 346.515 3.360 10 0 EGAERP CC1(C)[NH2+]CC[C@@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000925718229 1325268581 /nfs/dbraw/zinc/26/85/81/1325268581.db2.gz YHGBEWXCBNRWOO-MOPGFXCFSA-N 2 0 327.516 3.019 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730155 1325273892 /nfs/dbraw/zinc/27/38/92/1325273892.db2.gz OAACLHQJERWJTQ-GBESFXJTSA-N 2 0 336.907 3.001 10 0 EGAERP CC[NH+](CC)Cc1cc([C@@H](C)NCc2cc(N)cc[nH+]2)ccc1OC ZINC000925772584 1325293774 /nfs/dbraw/zinc/29/37/74/1325293774.db2.gz USJYBIKCXSIFGB-OAHLLOKOSA-N 2 0 342.487 3.365 10 0 EGAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000925779345 1325296908 /nfs/dbraw/zinc/29/69/08/1325296908.db2.gz XJCOMLGILTUCJB-GOEBONIOSA-N 2 0 328.834 3.496 10 0 EGAERP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925804173 1325307448 /nfs/dbraw/zinc/30/74/48/1325307448.db2.gz DLINMAFPSZYCAL-NJDAHSKKSA-N 2 0 338.499 3.315 10 0 EGAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809221 1325311004 /nfs/dbraw/zinc/31/10/04/1325311004.db2.gz CGRFQYAVZDXLGZ-GOSISDBHSA-N 2 0 337.552 3.317 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)c2ccc(F)cc2C)CC[NH2+]CC1 ZINC000925826739 1325318193 /nfs/dbraw/zinc/31/81/93/1325318193.db2.gz IUKFJPOTTFIYOL-GJZGRUSLSA-N 2 0 336.451 3.106 10 0 EGAERP Clc1ccccc1CN1CCC([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000925843492 1325325417 /nfs/dbraw/zinc/32/54/17/1325325417.db2.gz ODGUTJUCTNQIRV-WOJBJXKFSA-N 2 0 347.934 3.426 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843934 1325325817 /nfs/dbraw/zinc/32/58/17/1325325817.db2.gz UWSRGDZEBAPEBV-LSBZLQRGSA-N 2 0 349.906 3.487 10 0 EGAERP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925847895 1325328697 /nfs/dbraw/zinc/32/86/97/1325328697.db2.gz ZPZPJBOUDIMGEH-PWIZWCRZSA-N 2 0 332.488 3.147 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925854135 1325331800 /nfs/dbraw/zinc/33/18/00/1325331800.db2.gz KWWTVUMHPTVOPA-JKSUJKDBSA-N 2 0 336.863 3.066 10 0 EGAERP CCCCc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855213 1325331859 /nfs/dbraw/zinc/33/18/59/1325331859.db2.gz OSCQHXWEKQSHMM-VQIMIIECSA-N 2 0 344.499 3.365 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc2ccccc21 ZINC000925853384 1325331863 /nfs/dbraw/zinc/33/18/63/1325331863.db2.gz INHWWHWQYNCNCM-NVXWUHKLSA-N 2 0 338.451 3.176 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1 ZINC000925857822 1325332367 /nfs/dbraw/zinc/33/23/67/1325332367.db2.gz SVHVHHJLYCHURY-HOTGVXAUSA-N 2 0 336.863 3.066 10 0 EGAERP CCc1ccc([C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C(C)C)cc1 ZINC000925857734 1325333119 /nfs/dbraw/zinc/33/31/19/1325333119.db2.gz QLRAPBFMCUNOEH-RBUKOAKNSA-N 2 0 344.499 3.221 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CC[C@H]1OCCc2ccccc21 ZINC000925881561 1325340574 /nfs/dbraw/zinc/34/05/74/1325340574.db2.gz UHPCQVANBNXYDV-JLTOFOAXSA-N 2 0 325.456 3.203 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000925880584 1325340706 /nfs/dbraw/zinc/34/07/06/1325340706.db2.gz TUKMSHQEMBHKQD-QSUVIHHLSA-N 3 0 327.516 3.147 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000926200698 1325467279 /nfs/dbraw/zinc/46/72/79/1325467279.db2.gz IUPPBMQXXDXXPN-QWHCGFSZSA-N 2 0 349.466 3.444 10 0 EGAERP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926209121 1325471813 /nfs/dbraw/zinc/47/18/13/1325471813.db2.gz COSZIIITHXEUOG-FCEWJHQRSA-N 2 0 347.503 3.266 10 0 EGAERP c1ccc(CON2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000926336463 1325519767 /nfs/dbraw/zinc/51/97/67/1325519767.db2.gz GAUQAFYVNOEHMU-UHFFFAOYSA-N 2 0 343.515 3.189 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccns1 ZINC000926378397 1325533301 /nfs/dbraw/zinc/53/33/01/1325533301.db2.gz OZGNAXQYDQQOTC-CQSZACIVSA-N 2 0 331.485 3.467 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCCCC[NH+]2CCCC2)n(C)n1 ZINC000926488108 1325573040 /nfs/dbraw/zinc/57/30/40/1325573040.db2.gz SZXLGFACIJYDFH-UYAOXDASSA-N 2 0 332.536 3.295 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)CC2)ccn1 ZINC000926692696 1327669769 /nfs/dbraw/zinc/66/97/69/1327669769.db2.gz IWDDMSNAQZHKMT-NHCUHLMSSA-N 2 0 343.515 3.088 10 0 EGAERP C[C@@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926890143 1327759752 /nfs/dbraw/zinc/75/97/52/1327759752.db2.gz RFYXXPYEOPULMI-ZPMCFJSWSA-N 2 0 338.495 3.492 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865405106 1329692293 /nfs/dbraw/zinc/69/22/93/1329692293.db2.gz SIGJVZZEFHVWCZ-UHFFFAOYSA-N 2 0 337.471 3.100 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2ncc(Br)cc2F)CC1 ZINC000865764488 1329736319 /nfs/dbraw/zinc/73/63/19/1329736319.db2.gz BVFWWNTWBHJRMV-UHFFFAOYSA-N 2 0 344.272 3.336 10 0 EGAERP Cc1cc(C)c(NC(=O)CCC[NH+]2C[C@H]3C[N@@H+](C)C[C@@]3(C)C2)c(C)c1 ZINC000933736597 1329918070 /nfs/dbraw/zinc/91/80/70/1329918070.db2.gz YAOGKWDKMCQPAH-NQIIRXRSSA-N 2 0 343.515 3.214 10 0 EGAERP C[C@@H](CCc1cccnc1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000866239677 1330083754 /nfs/dbraw/zinc/08/37/54/1330083754.db2.gz ZMPHYQPRLUWFDM-KRWDZBQOSA-N 2 0 327.472 3.133 10 0 EGAERP CC[NH+](CC)CCOCC[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866338037 1330098440 /nfs/dbraw/zinc/09/84/40/1330098440.db2.gz NPYFOSFUWAVLDI-CYBMUJFWSA-N 2 0 339.867 3.490 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H](C3CCC3)[C@H]3CCCO3)C2)cc1 ZINC000866353120 1330101028 /nfs/dbraw/zinc/10/10/28/1330101028.db2.gz WCRQBNOSZZCNKS-NRSPTQNISA-N 2 0 328.500 3.446 10 0 EGAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000866517014 1330121153 /nfs/dbraw/zinc/12/11/53/1330121153.db2.gz USZPSNQDJQLFEW-SHPPYHEDSA-N 2 0 347.503 3.265 10 0 EGAERP CCOc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866707071 1330143585 /nfs/dbraw/zinc/14/35/85/1330143585.db2.gz LOUIYGCVWAIMRS-FQEVSTJZSA-N 2 0 347.503 3.111 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001323146972 1387302694 /nfs/dbraw/zinc/30/26/94/1387302694.db2.gz CZDWHSWTGNQWEF-OBNUAKFSSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001323637842 1387414034 /nfs/dbraw/zinc/41/40/34/1387414034.db2.gz NHPKTKUVBXHARB-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC(C)C ZINC001323773302 1387448001 /nfs/dbraw/zinc/44/80/01/1387448001.db2.gz GLXDTZJKONIBLT-HSALFYBXSA-N 2 0 349.563 3.362 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001324091255 1387537644 /nfs/dbraw/zinc/53/76/44/1387537644.db2.gz UJEUVELSPISVAL-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001324091253 1387537772 /nfs/dbraw/zinc/53/77/72/1387537772.db2.gz UJEUVELSPISVAL-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324206319 1387557563 /nfs/dbraw/zinc/55/75/63/1387557563.db2.gz JFTYONQNQOLSLE-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)c1 ZINC001324273698 1387577445 /nfs/dbraw/zinc/57/74/45/1387577445.db2.gz ODWQOOZKXKANLV-LJQANCHMSA-N 2 0 345.531 3.379 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324517754 1387658909 /nfs/dbraw/zinc/65/89/09/1387658909.db2.gz MBLBVXYZUIKULZ-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C)c(C(=O)OC)c2)CC1 ZINC001190347532 1367234681 /nfs/dbraw/zinc/23/46/81/1367234681.db2.gz CVMPBHBONCKARL-UHFFFAOYSA-N 2 0 332.488 3.335 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C1(C)C ZINC001195146450 1368388213 /nfs/dbraw/zinc/38/82/13/1368388213.db2.gz DVSULIISEKEJSY-HNNXBMFYSA-N 2 0 327.513 3.096 10 0 EGAERP CC(C)[NH+]1CCC([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001325364382 1387948991 /nfs/dbraw/zinc/94/89/91/1387948991.db2.gz XAQPVHUVICOJQI-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001325364768 1387950304 /nfs/dbraw/zinc/95/03/04/1387950304.db2.gz ZHYNBLGGTZPZTI-QUCCMNQESA-N 2 0 345.531 3.279 10 0 EGAERP COCC[N@@H+](Cc1cc(Cl)ccc1OC)CC1CC[NH+](C)CC1 ZINC001196781814 1368683451 /nfs/dbraw/zinc/68/34/51/1368683451.db2.gz JIBUSKZDCZRFBO-UHFFFAOYSA-N 2 0 340.895 3.139 10 0 EGAERP CO[C@@H](C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC001197378425 1368801325 /nfs/dbraw/zinc/80/13/25/1368801325.db2.gz ZFUDIUDMVAVLSP-KXBFYZLASA-N 2 0 329.419 3.119 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001325476632 1387986978 /nfs/dbraw/zinc/98/69/78/1387986978.db2.gz PVYOHJUOSAEKOS-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001326307052 1388148577 /nfs/dbraw/zinc/14/85/77/1388148577.db2.gz YRHZWQPYPKJKGW-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CCCCCC3)CCC2)CC[N@@H+]1C ZINC001326875849 1388335930 /nfs/dbraw/zinc/33/59/30/1388335930.db2.gz RSZNPLBMZHIOGZ-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707906 1377162918 /nfs/dbraw/zinc/16/29/18/1377162918.db2.gz GZHGAUCMZANXBE-UNQUKWGNSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001265707991 1377163353 /nfs/dbraw/zinc/16/33/53/1377163353.db2.gz IEFNDHQLXVKDAJ-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC1=CCCCC1)C1CC1 ZINC001266138446 1377203289 /nfs/dbraw/zinc/20/32/89/1377203289.db2.gz HHLNMMSJFSIWDF-HXUWFJFHSA-N 2 0 347.547 3.330 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001266204052 1377227730 /nfs/dbraw/zinc/22/77/30/1377227730.db2.gz PGASWGBPZJHPCW-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266224660 1377235919 /nfs/dbraw/zinc/23/59/19/1377235919.db2.gz BZWQGYJGQDUXPA-QGZVFWFLSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001266238107 1377241855 /nfs/dbraw/zinc/24/18/55/1377241855.db2.gz KHTGNZWACBJZKN-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001266380250 1377301346 /nfs/dbraw/zinc/30/13/46/1377301346.db2.gz RVZCGSJHXFHLQX-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001266502127 1377323422 /nfs/dbraw/zinc/32/34/22/1377323422.db2.gz WZSMNMASXTWXOR-XLDNSSHCSA-N 2 0 347.547 3.284 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266526464 1377327340 /nfs/dbraw/zinc/32/73/40/1377327340.db2.gz VNYLDIRTKQFNHQ-ZWKOTPCHSA-N 2 0 343.515 3.060 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001327299937 1388491747 /nfs/dbraw/zinc/49/17/47/1388491747.db2.gz RDSJKKVNVXNQFR-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1CCC[C@](CNC(=O)c2cccc(CC[NH+](C)C)c2)([NH+](C)C)C1 ZINC001136360843 1377383127 /nfs/dbraw/zinc/38/31/27/1377383127.db2.gz QWHQLEXNEZRDSE-UTKZUKDTSA-N 2 0 345.531 3.031 10 0 EGAERP CC/C=C\CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001266853144 1377394848 /nfs/dbraw/zinc/39/48/48/1377394848.db2.gz GODLTMCFVNVGCD-DXPXIUTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001267570524 1377460256 /nfs/dbraw/zinc/46/02/56/1377460256.db2.gz BPGYTWQBBIHYRT-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C ZINC001269571065 1377559096 /nfs/dbraw/zinc/55/90/96/1377559096.db2.gz VJVVMISXSRXTPF-XVLXNVKGSA-N 2 0 335.536 3.019 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2=CCCCC2)CC[N@@H+]1C ZINC001270051639 1377592471 /nfs/dbraw/zinc/59/24/71/1377592471.db2.gz ZZXRTSVWVITXNW-HSALFYBXSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001270411455 1377605825 /nfs/dbraw/zinc/60/58/25/1377605825.db2.gz BGDPUZNJDAVOLH-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413814 1378124402 /nfs/dbraw/zinc/12/44/02/1378124402.db2.gz ORXGEMUXQBUGAZ-OSJSJHBBSA-N 2 0 349.544 3.083 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327488823 1388533963 /nfs/dbraw/zinc/53/39/63/1388533963.db2.gz RJHZNSZTSYIUKT-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC001277364062 1378220040 /nfs/dbraw/zinc/22/00/40/1378220040.db2.gz YTWSBZDPPANWMN-BEFAXECRSA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001278979359 1378294973 /nfs/dbraw/zinc/29/49/73/1378294973.db2.gz ZALHALICOVGUAN-MSOLQXFVSA-N 2 0 339.568 3.273 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001279585441 1378314099 /nfs/dbraw/zinc/31/40/99/1378314099.db2.gz BLYQETHBEFUXEK-VQTJNVASSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279630428 1378317366 /nfs/dbraw/zinc/31/73/66/1378317366.db2.gz ACVKGWZJPBDZPV-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC1(C)CC(C[N@H+]2CC=C(CNC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001279696190 1378318021 /nfs/dbraw/zinc/31/80/21/1378318021.db2.gz UEBFGRLETZTEFO-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(NC(=O)CC[NH+]2CC[C@H](F)C2)cc1 ZINC001141770347 1378374197 /nfs/dbraw/zinc/37/41/97/1378374197.db2.gz OJZYPVXLTZSBMC-AEFFLSMTSA-N 2 0 347.478 3.433 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001281939464 1378459793 /nfs/dbraw/zinc/45/97/93/1378459793.db2.gz GOJAXDKYRAKUNM-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001327542603 1388556382 /nfs/dbraw/zinc/55/63/82/1388556382.db2.gz XQCSKKATMMIBSH-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001282478803 1378510721 /nfs/dbraw/zinc/51/07/21/1378510721.db2.gz UKDUHMHJBLSRFU-WMLDXEAASA-N 2 0 347.528 3.178 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CC3=CCCCC3)C2)C1 ZINC001327539488 1388554913 /nfs/dbraw/zinc/55/49/13/1388554913.db2.gz ASMBSTQKKMBGDO-NRFANRHFSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001282677009 1378546665 /nfs/dbraw/zinc/54/66/65/1378546665.db2.gz XBUOYJOFSBMQJJ-DPZZJQGRSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001282833825 1378634782 /nfs/dbraw/zinc/63/47/82/1378634782.db2.gz NVTTVGPYKLYPNA-PKOBYXMFSA-N 2 0 345.531 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCCCCC3)C[C@H]2C1 ZINC001282958241 1378685906 /nfs/dbraw/zinc/68/59/06/1378685906.db2.gz MJHGDZUDLQSNRT-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001282959295 1378686983 /nfs/dbraw/zinc/68/69/83/1378686983.db2.gz UKIJXVGMIFLFNC-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001282967103 1378690641 /nfs/dbraw/zinc/69/06/41/1378690641.db2.gz JGRKVDDLIVLZFF-ZMBJWTFHSA-N 2 0 347.547 3.142 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@]2(C)C[NH+](CCCC(C)(C)C)C[C@]2(C)C1 ZINC001282982218 1378696306 /nfs/dbraw/zinc/69/63/06/1378696306.db2.gz IYONHPUTALFGSK-UIFIKXQLSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccccc1 ZINC001283187009 1378756235 /nfs/dbraw/zinc/75/62/35/1378756235.db2.gz RXATTWSOEREYNC-DLBZAZTESA-N 2 0 331.504 3.106 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001284071821 1379434861 /nfs/dbraw/zinc/43/48/61/1379434861.db2.gz ZYSKCSNLXUMWIK-BIZHUJQWSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250379 1379633424 /nfs/dbraw/zinc/63/34/24/1379633424.db2.gz ZUTIVFOGZCWTNM-PXNSSMCTSA-N 2 0 343.515 3.036 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597605 1379998697 /nfs/dbraw/zinc/99/86/97/1379998697.db2.gz IVQQYDUVDKOFPH-RTBURBONSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001284602355 1380002927 /nfs/dbraw/zinc/00/29/27/1380002927.db2.gz CBZARHLHRHEMRS-MRXNPFEDSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001284624497 1380025319 /nfs/dbraw/zinc/02/53/19/1380025319.db2.gz HARSDMSIBSKLRZ-FUHWJXTLSA-N 2 0 333.520 3.128 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630883 1380034693 /nfs/dbraw/zinc/03/46/93/1380034693.db2.gz KMFULOPYDAWPHZ-RHSMWYFYSA-N 2 0 348.535 3.145 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001284653119 1380068116 /nfs/dbraw/zinc/06/81/16/1380068116.db2.gz PDOFEFWFHQAIKB-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001284917083 1380310315 /nfs/dbraw/zinc/31/03/15/1380310315.db2.gz FTWXRGGQJJFFJH-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001284967764 1380331993 /nfs/dbraw/zinc/33/19/93/1380331993.db2.gz SHAQLYBHAYEBDQ-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097982 1388669584 /nfs/dbraw/zinc/66/95/84/1388669584.db2.gz KFNWHQAPNXVIDV-ZSQQTYLHSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001328352986 1388728562 /nfs/dbraw/zinc/72/85/62/1388728562.db2.gz XSKKCJVVXXIIHQ-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001328459131 1388750849 /nfs/dbraw/zinc/75/08/49/1388750849.db2.gz MRDWJSPWNROLAY-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001328577445 1388780174 /nfs/dbraw/zinc/78/01/74/1388780174.db2.gz GNDUIGYLRNMBTO-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@@H](CC(C)C)n1ccnc1 ZINC001328731820 1388829566 /nfs/dbraw/zinc/82/95/66/1388829566.db2.gz ALIYARNTJXRFOR-RTBURBONSA-N 2 0 346.519 3.359 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001328753346 1388844656 /nfs/dbraw/zinc/84/46/56/1388844656.db2.gz RAZAADPSCHVFKD-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@H+](CCCNC(=O)N[C@@H](C)C[NH+](C)C(C)C)C1CCCCC1 ZINC001312807970 1384372993 /nfs/dbraw/zinc/37/29/93/1384372993.db2.gz XQNPWNHFZCCILT-KRWDZBQOSA-N 2 0 340.556 3.059 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001316720292 1384539322 /nfs/dbraw/zinc/53/93/22/1384539322.db2.gz JXHCYEHEMNZCLW-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C(C)(C)[C@H]21 ZINC001316721138 1384541166 /nfs/dbraw/zinc/54/11/66/1384541166.db2.gz LUORLUNXJRRBPH-SQNIBIBYSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCCC[C@@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001316773987 1384572579 /nfs/dbraw/zinc/57/25/79/1384572579.db2.gz RWAIHOLXZMQWFW-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001316811342 1384608710 /nfs/dbraw/zinc/60/87/10/1384608710.db2.gz MKNMPXVYZFGOGA-RJCMGOLDSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001316850711 1384639151 /nfs/dbraw/zinc/63/91/51/1384639151.db2.gz IDBPEIDHEJDPAO-IEBWSBKVSA-N 2 0 345.531 3.144 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001316934754 1384706126 /nfs/dbraw/zinc/70/61/26/1384706126.db2.gz USGJEPAKYMTXIO-LIXSYLKWSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001316936121 1384708102 /nfs/dbraw/zinc/70/81/02/1384708102.db2.gz WTZGPAGRRMBGFP-IBGZPJMESA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001316937446 1384709009 /nfs/dbraw/zinc/70/90/09/1384709009.db2.gz OCHNKMKUPAHWAN-UHFFFAOYSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001316982967 1384740313 /nfs/dbraw/zinc/74/03/13/1384740313.db2.gz MJTMVDAKAVVLKJ-MSOLQXFVSA-N 2 0 343.515 3.039 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001316986670 1384743042 /nfs/dbraw/zinc/74/30/42/1384743042.db2.gz ROQHXEGGRGGDPS-ABQVSZSXSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(F)cc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001329041236 1388942085 /nfs/dbraw/zinc/94/20/85/1388942085.db2.gz ZPSZRPSPZRHHDC-CVEARBPZSA-N 2 0 349.494 3.073 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001317007221 1384770494 /nfs/dbraw/zinc/77/04/94/1384770494.db2.gz SVOWUWUPGAVDSG-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C[NH+](C)C[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001317043290 1384817120 /nfs/dbraw/zinc/81/71/20/1384817120.db2.gz JJHUKIUCYQMTQW-HXUWFJFHSA-N 2 0 345.531 3.006 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317045959 1384820855 /nfs/dbraw/zinc/82/08/55/1384820855.db2.gz TZJDBVAEHSRZLH-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317087501 1384849608 /nfs/dbraw/zinc/84/96/08/1384849608.db2.gz OEFWMKZIXOJYNM-WGSAOQKQSA-N 2 0 331.504 3.035 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317142143 1384910577 /nfs/dbraw/zinc/91/05/77/1384910577.db2.gz ZVDAEHKFTSRTEO-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001317162842 1384925887 /nfs/dbraw/zinc/92/58/87/1384925887.db2.gz XSAKDJATECONBK-AZUAARDMSA-N 2 0 345.531 3.164 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCC[NH+]2CCCC(C)(C)C)C1 ZINC001317176176 1384948060 /nfs/dbraw/zinc/94/80/60/1384948060.db2.gz KLQDYEVMUVRLAM-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001317191241 1384965191 /nfs/dbraw/zinc/96/51/91/1384965191.db2.gz YOVVUGODASXBIZ-VQTJNVASSA-N 2 0 347.547 3.330 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001317195131 1384969087 /nfs/dbraw/zinc/96/90/87/1384969087.db2.gz YOTRIQRMNPMLFN-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317217364 1384997403 /nfs/dbraw/zinc/99/74/03/1384997403.db2.gz JLHNKMKQKBCXOF-UHFFFAOYSA-N 2 0 335.536 3.212 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)[NH2+]CC2CCC(C)CC2)ccc2c[nH+]cn21 ZINC001317259681 1385030013 /nfs/dbraw/zinc/03/00/13/1385030013.db2.gz NPUKRESQASBWET-CKDBGZEDSA-N 2 0 342.487 3.177 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001317271472 1385041982 /nfs/dbraw/zinc/04/19/82/1385041982.db2.gz NKPDIZZGINWCJH-MSOLQXFVSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001317342745 1385094266 /nfs/dbraw/zinc/09/42/66/1385094266.db2.gz HXZFOGHAXAQNMF-OALUTQOASA-N 2 0 345.531 3.226 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317359786 1385103655 /nfs/dbraw/zinc/10/36/55/1385103655.db2.gz PUUFMMAFQQFIJD-DLBZAZTESA-N 2 0 340.471 3.240 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC1 ZINC001317430958 1385135563 /nfs/dbraw/zinc/13/55/63/1385135563.db2.gz CSHGOUMTTWBQBG-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001317438313 1385140413 /nfs/dbraw/zinc/14/04/13/1385140413.db2.gz YCIPUFZRYFYTDL-QUCCMNQESA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CCCCC1 ZINC001317490334 1385189801 /nfs/dbraw/zinc/18/98/01/1385189801.db2.gz ZOPDZZLKELSRRS-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCCOc1cccc(C[N@H+](CCOC)CC2CC[NH+](C)CC2)c1 ZINC001175203871 1385219553 /nfs/dbraw/zinc/21/95/53/1385219553.db2.gz WQQPVYMGUBIUKE-UHFFFAOYSA-N 2 0 334.504 3.266 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317513244 1385226582 /nfs/dbraw/zinc/22/65/82/1385226582.db2.gz IZETXKSOJPKAPQ-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001317558855 1385333507 /nfs/dbraw/zinc/33/35/07/1385333507.db2.gz NMQPNEUAIDWHAC-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317675499 1385382297 /nfs/dbraw/zinc/38/22/97/1385382297.db2.gz IGUFZMCKIATMCH-HPFMTEOYSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001317678581 1385386164 /nfs/dbraw/zinc/38/61/64/1385386164.db2.gz SRYGJAPHLCWUQE-SNEMNWSOSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C[C@@H](C)CC)CC1 ZINC001317869640 1385551771 /nfs/dbraw/zinc/55/17/71/1385551771.db2.gz FRXRVHZWUSWHDE-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001318670674 1385829293 /nfs/dbraw/zinc/82/92/93/1385829293.db2.gz LGSVLSLSOVKGQP-MRXNPFEDSA-N 2 0 349.494 3.129 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001318728362 1385846686 /nfs/dbraw/zinc/84/66/86/1385846686.db2.gz NGQSQIMHTHYQMW-RXVVDRJESA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+][C@H](C)c2ccccc2)C1 ZINC001318859710 1385863371 /nfs/dbraw/zinc/86/33/71/1385863371.db2.gz JASXCDZCPWHSEG-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001318938059 1385888555 /nfs/dbraw/zinc/88/85/55/1385888555.db2.gz RRXNDUJKJNSBRB-KKHYBRAUSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001318938367 1385888899 /nfs/dbraw/zinc/88/88/99/1385888899.db2.gz UADAROYDHRYZTK-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001319271262 1386034639 /nfs/dbraw/zinc/03/46/39/1386034639.db2.gz YQHDSSOFQYRTEV-RHSMWYFYSA-N 2 0 347.528 3.083 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001319353490 1386076092 /nfs/dbraw/zinc/07/60/92/1386076092.db2.gz MFPLPGSGWNITTK-PLQXZHKYSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)cc1 ZINC001319524604 1386159756 /nfs/dbraw/zinc/15/97/56/1386159756.db2.gz HFNCAQUSHAVXQF-IAGOWNOFSA-N 2 0 333.520 3.259 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1cccc2ccccc21 ZINC001319524680 1386160165 /nfs/dbraw/zinc/16/01/65/1386160165.db2.gz IDRSHDMCEPQPTN-DLBZAZTESA-N 2 0 341.499 3.289 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001319864174 1386342931 /nfs/dbraw/zinc/34/29/31/1386342931.db2.gz MSCTZLQTAMHWLY-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001319868574 1386346089 /nfs/dbraw/zinc/34/60/89/1386346089.db2.gz LPHSCHOMBLQPGW-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001319914712 1386387347 /nfs/dbraw/zinc/38/73/47/1386387347.db2.gz FXHJTAXZZSCTKK-BHIYHBOVSA-N 2 0 349.563 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C)C1 ZINC001319934945 1386401497 /nfs/dbraw/zinc/40/14/97/1386401497.db2.gz GTJVPHFIBFVEIQ-ZWKOTPCHSA-N 2 0 339.568 3.275 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001319969358 1386426220 /nfs/dbraw/zinc/42/62/20/1386426220.db2.gz YHOZLWIWBLYKMP-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCCC(C)(C)C)C1 ZINC001320114424 1386522191 /nfs/dbraw/zinc/52/21/91/1386522191.db2.gz LBFSYUHVGTUQFD-MSOLQXFVSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320561464 1386650481 /nfs/dbraw/zinc/65/04/81/1386650481.db2.gz GWVQJYZZMMVXJZ-QZTJIDSGSA-N 2 0 335.536 3.236 10 0 EGAERP CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320816856 1386727230 /nfs/dbraw/zinc/72/72/30/1386727230.db2.gz CKGOIGJHEILFDG-FQEVSTJZSA-N 2 0 345.531 3.034 10 0 EGAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001329202967 1389020714 /nfs/dbraw/zinc/02/07/14/1389020714.db2.gz PIPLKXAEZQSVAM-IAGOWNOFSA-N 2 0 345.531 3.425 10 0 EGAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001329239953 1389031341 /nfs/dbraw/zinc/03/13/41/1389031341.db2.gz CEHXJPYNLQHELZ-ABHNRTSZSA-N 2 0 337.552 3.266 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329306580 1389057239 /nfs/dbraw/zinc/05/72/39/1389057239.db2.gz GPYGGQWSKUOGOD-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCCCC1 ZINC001329471201 1389120118 /nfs/dbraw/zinc/12/01/18/1389120118.db2.gz KJFJEQIGTSTZOD-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@@H](C)n2ccnc2)c1 ZINC001329560548 1389156295 /nfs/dbraw/zinc/15/62/95/1389156295.db2.gz OJWVRFUPBBEBHO-QZTJIDSGSA-N 2 0 342.487 3.088 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001698719186 1406363963 /nfs/dbraw/zinc/36/39/63/1406363963.db2.gz INHURDFWOOWTIS-IAGOWNOFSA-N 2 0 343.515 3.065 10 0 EGAERP O=C(NC1(C[NH2+]CCC2CC2)CCCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001329829957 1389233260 /nfs/dbraw/zinc/23/32/60/1389233260.db2.gz VZRATTUDEUANPW-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001329861002 1389238642 /nfs/dbraw/zinc/23/86/42/1389238642.db2.gz MFMJOVZLQSLNHS-MOPGFXCFSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001329922516 1389259379 /nfs/dbraw/zinc/25/93/79/1389259379.db2.gz COEMASYVNSHJQL-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001698722924 1406370424 /nfs/dbraw/zinc/37/04/24/1406370424.db2.gz MBGAJRZHZHELPL-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698730594 1406380347 /nfs/dbraw/zinc/38/03/47/1406380347.db2.gz PPRPCCSTHWAUAA-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001698735792 1406386450 /nfs/dbraw/zinc/38/64/50/1406386450.db2.gz OOZLSKYBFIPGFH-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC(C)(C)C ZINC001331470737 1389761642 /nfs/dbraw/zinc/76/16/42/1389761642.db2.gz RIPUDZKLEJVUHJ-AEFFLSMTSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001331519692 1389780759 /nfs/dbraw/zinc/78/07/59/1389780759.db2.gz PYVNTAYTKXCSAL-DLBZAZTESA-N 2 0 331.504 3.059 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCCCCC1 ZINC001331520878 1389781409 /nfs/dbraw/zinc/78/14/09/1389781409.db2.gz WBEZFJMNDTUMJL-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001332113808 1389991099 /nfs/dbraw/zinc/99/10/99/1389991099.db2.gz UDLKKZXABQGOOR-QWFCFKBJSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001339443100 1390031050 /nfs/dbraw/zinc/03/10/50/1390031050.db2.gz ACJXKXCXJIIMNP-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001332206561 1390042820 /nfs/dbraw/zinc/04/28/20/1390042820.db2.gz OOVCGAOHLJVVHZ-VTFYZGIISA-N 2 0 337.552 3.290 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001332270369 1390071358 /nfs/dbraw/zinc/07/13/58/1390071358.db2.gz CAYQFIHQJAEGAE-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386946 1390103204 /nfs/dbraw/zinc/10/32/04/1390103204.db2.gz IBNPTEDFYOWFHM-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c1 ZINC001332414375 1390111119 /nfs/dbraw/zinc/11/11/19/1390111119.db2.gz XAEQSVWWCYMNMZ-HKUYNNGSSA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001332708372 1390162251 /nfs/dbraw/zinc/16/22/51/1390162251.db2.gz YSRYNPGIZLNWHY-GUDVDZBRSA-N 2 0 339.568 3.178 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001333192715 1390264448 /nfs/dbraw/zinc/26/44/48/1390264448.db2.gz PYDMQKAFZYJFAN-OOFWQKGWSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC3CCC([NH+]4CCCCC4)CC3)C[N@@H+]2C1 ZINC001346986728 1390990941 /nfs/dbraw/zinc/99/09/41/1390990941.db2.gz YPWUYXYDBUBDQR-MQPDGSBLSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001486441825 1391008349 /nfs/dbraw/zinc/00/83/49/1391008349.db2.gz TUDRKUOQZOPDGI-JLAWEPINSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001698803486 1406482506 /nfs/dbraw/zinc/48/25/06/1406482506.db2.gz NLZZTORRBLEENB-GOSISDBHSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001488747179 1391715724 /nfs/dbraw/zinc/71/57/24/1391715724.db2.gz UAMUKZHRNJJYMU-QRVBRYPASA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001353344689 1391993088 /nfs/dbraw/zinc/99/30/88/1391993088.db2.gz IBEILDLRKBCQRG-IAGOWNOFSA-N 2 0 346.519 3.219 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2C[C@@H](CNC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001479344611 1392220852 /nfs/dbraw/zinc/22/08/52/1392220852.db2.gz NVEJNWOMQNHRBN-IZAXUBKRSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001479562131 1392276149 /nfs/dbraw/zinc/27/61/49/1392276149.db2.gz NFPXUERNSRHQGS-IZBJGVDFSA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001479593586 1392284129 /nfs/dbraw/zinc/28/41/29/1392284129.db2.gz UHNAPJCODZDSAT-NCXUSEDFSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001479613578 1392287751 /nfs/dbraw/zinc/28/77/51/1392287751.db2.gz NHDXKTJZEXXWAJ-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001479636179 1392299220 /nfs/dbraw/zinc/29/92/20/1392299220.db2.gz UDBIFKYLKLOKGC-BFLTYUOASA-N 2 0 335.536 3.042 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001479640294 1392301843 /nfs/dbraw/zinc/30/18/43/1392301843.db2.gz GHWMZARIQXQIOR-RBUKOAKNSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001479693833 1392325086 /nfs/dbraw/zinc/32/50/86/1392325086.db2.gz GFGOPBDSQCMDDJ-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP O=C(N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001479694695 1392325331 /nfs/dbraw/zinc/32/53/31/1392325331.db2.gz QWSFRLBTERTZDN-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001479729878 1392341838 /nfs/dbraw/zinc/34/18/38/1392341838.db2.gz MPKVFAPTHKNAAU-QRTFGMIHSA-N 2 0 335.536 3.042 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccc(C)cc1C ZINC001479815690 1392408633 /nfs/dbraw/zinc/40/86/33/1392408633.db2.gz LGZQVRCRXWBIQR-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829693 1392416387 /nfs/dbraw/zinc/41/63/87/1392416387.db2.gz CPQIZUVCHIYRRP-IEBWSBKVSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](CCC(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001479870677 1392447054 /nfs/dbraw/zinc/44/70/54/1392447054.db2.gz LHPOZZWTQOKVQN-UHFFFAOYSA-N 2 0 342.487 3.273 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001479874743 1392450321 /nfs/dbraw/zinc/45/03/21/1392450321.db2.gz BKDYEDNBJZGDRI-FQEVSTJZSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001480085175 1392574780 /nfs/dbraw/zinc/57/47/80/1392574780.db2.gz QJALRQNYEDOWBH-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001480088824 1392579048 /nfs/dbraw/zinc/57/90/48/1392579048.db2.gz MKPBDOWXNIRQDL-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001480238627 1392631331 /nfs/dbraw/zinc/63/13/31/1392631331.db2.gz VUHPTDSUEZRPEF-WTGUMLROSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001480272719 1392655823 /nfs/dbraw/zinc/65/58/23/1392655823.db2.gz YLOPOJFYKGNFLS-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001480318364 1392677900 /nfs/dbraw/zinc/67/79/00/1392677900.db2.gz BATAKOUPFXEACP-WOJBJXKFSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001480361974 1392706182 /nfs/dbraw/zinc/70/61/82/1392706182.db2.gz WXJIZKDBVWBQKN-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480384976 1392729791 /nfs/dbraw/zinc/72/97/91/1392729791.db2.gz YWAZLHLEJHORIG-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CCCCC1)c1ccccc1 ZINC001480568792 1392795176 /nfs/dbraw/zinc/79/51/76/1392795176.db2.gz ATKFSUIQPJWDIX-FXAWDEMLSA-N 2 0 345.531 3.354 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001480597901 1392812561 /nfs/dbraw/zinc/81/25/61/1392812561.db2.gz WCKLXWZMVDPARO-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700936 1392864542 /nfs/dbraw/zinc/86/45/42/1392864542.db2.gz ZIDCIFSZJWCPHX-RTBURBONSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480730532 1392893993 /nfs/dbraw/zinc/89/39/93/1392893993.db2.gz KEGRTEUQLSYAJG-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480736658 1392902097 /nfs/dbraw/zinc/90/20/97/1392902097.db2.gz HOXAYYQZENSGBO-VQIMIIECSA-N 2 0 349.494 3.033 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480738054 1392903934 /nfs/dbraw/zinc/90/39/34/1392903934.db2.gz VOVARDFJHUCJHU-HXUWFJFHSA-N 2 0 345.531 3.475 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001480772998 1392924829 /nfs/dbraw/zinc/92/48/29/1392924829.db2.gz SFCPLXDINTTWLS-YLJYHZDGSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001480776432 1392926706 /nfs/dbraw/zinc/92/67/06/1392926706.db2.gz NKAIPYUFDCDCBE-AZUAARDMSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@H](C(=O)NCC[N@H+](CC1=CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001481188054 1393145723 /nfs/dbraw/zinc/14/57/23/1393145723.db2.gz UEPIPNALSWOKDV-GOSISDBHSA-N 2 0 347.547 3.332 10 0 EGAERP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001481287567 1393158839 /nfs/dbraw/zinc/15/88/39/1393158839.db2.gz LIIODLJLJAMRHJ-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)c2cnc[nH]2)cc1 ZINC001481303863 1393160608 /nfs/dbraw/zinc/16/06/08/1393160608.db2.gz DDDWMRBNENYXJR-UHFFFAOYSA-N 2 0 342.487 3.059 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001481338790 1393167219 /nfs/dbraw/zinc/16/72/19/1393167219.db2.gz DGOMVKYZFYPQHP-QUCCMNQESA-N 2 0 349.563 3.432 10 0 EGAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001481342898 1393168635 /nfs/dbraw/zinc/16/86/35/1393168635.db2.gz MPXUBPORZCNMSA-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001481342899 1393168695 /nfs/dbraw/zinc/16/86/95/1393168695.db2.gz MPXUBPORZCNMSA-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C ZINC001698900720 1406633895 /nfs/dbraw/zinc/63/38/95/1406633895.db2.gz UCDBLQXPMYCTSW-WAQVGJNASA-N 2 0 335.536 3.044 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698914144 1406647773 /nfs/dbraw/zinc/64/77/73/1406647773.db2.gz KCSBLGSOOCTFNI-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001481372593 1394214145 /nfs/dbraw/zinc/21/41/45/1394214145.db2.gz JDIZZEIJKOFWMP-HXUWFJFHSA-N 2 0 345.531 3.354 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481407024 1394260615 /nfs/dbraw/zinc/26/06/15/1394260615.db2.gz YKXZFUANKAPHGC-VQTJNVASSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001481445391 1394299338 /nfs/dbraw/zinc/29/93/38/1394299338.db2.gz WMBDTKFWHSXJLS-SXLOBPIMSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC2CCC2)C1 ZINC001481485500 1394330602 /nfs/dbraw/zinc/33/06/02/1394330602.db2.gz HGMRVRCNVQZQRE-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500988 1394346806 /nfs/dbraw/zinc/34/68/06/1394346806.db2.gz VLDAIUGZEJSFAO-ZBWOGFRMSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001491079422 1394420927 /nfs/dbraw/zinc/42/09/27/1394420927.db2.gz AZWBRFCMYGHBRN-RWQQGDIJSA-N 2 0 335.536 3.066 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491113911 1394433505 /nfs/dbraw/zinc/43/35/05/1394433505.db2.gz KKVGQJGZTNUXCN-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001491154255 1394452631 /nfs/dbraw/zinc/45/26/31/1394452631.db2.gz QRCUGBZDOJZZKA-WLMAVBAVSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001698954150 1406698353 /nfs/dbraw/zinc/69/83/53/1406698353.db2.gz RJOMFWHUVXBHGE-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481781355 1394525964 /nfs/dbraw/zinc/52/59/64/1394525964.db2.gz CDJBHYYXUJDPGW-WOJBJXKFSA-N 2 0 343.515 3.156 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001491683786 1394526137 /nfs/dbraw/zinc/52/61/37/1394526137.db2.gz UNUXLUNGXQDPDQ-GOSISDBHSA-N 2 0 345.531 3.280 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812027 1394541120 /nfs/dbraw/zinc/54/11/20/1394541120.db2.gz ZHHCRLRUFXIOCJ-MOPGFXCFSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1Cl ZINC001481880545 1394574374 /nfs/dbraw/zinc/57/43/74/1394574374.db2.gz GMEKTWGEYJHHKG-HUUCEWRRSA-N 2 0 339.911 3.226 10 0 EGAERP C[C@@H](F)CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001481909634 1394591090 /nfs/dbraw/zinc/59/10/90/1394591090.db2.gz KGNBYIUMWJYHEQ-MRXNPFEDSA-N 2 0 349.494 3.129 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481960268 1394621050 /nfs/dbraw/zinc/62/10/50/1394621050.db2.gz GILWWRQUWFBRIQ-GHTZIAJQSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976154 1394637187 /nfs/dbraw/zinc/63/71/87/1394637187.db2.gz FNTZPPZCMSVBKL-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001482035705 1394696654 /nfs/dbraw/zinc/69/66/54/1394696654.db2.gz LAQGHKQXSVQGDI-ROUUACIJSA-N 2 0 345.531 3.311 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962375 1406717563 /nfs/dbraw/zinc/71/75/63/1406717563.db2.gz PRUYPBQNAHFLHH-ZWKOTPCHSA-N 2 0 337.552 3.026 10 0 EGAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482331941 1394901476 /nfs/dbraw/zinc/90/14/76/1394901476.db2.gz WHWASLCPCISFFQ-GFBZKKKVSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001482369534 1394932205 /nfs/dbraw/zinc/93/22/05/1394932205.db2.gz NDPMYMDZCNCDCR-CABCVRRESA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482398467 1394959794 /nfs/dbraw/zinc/95/97/94/1394959794.db2.gz NPRCUQZTWCLENC-MOPGFXCFSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001482437626 1394998424 /nfs/dbraw/zinc/99/84/24/1394998424.db2.gz PXRXCUXPEMEFFR-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)(C(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001484139920 1395276263 /nfs/dbraw/zinc/27/62/63/1395276263.db2.gz FRDXJVOZEDADQD-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001484638349 1395458057 /nfs/dbraw/zinc/45/80/57/1395458057.db2.gz AYQFVRAPJUMOPB-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001484654414 1395463237 /nfs/dbraw/zinc/46/32/37/1395463237.db2.gz JUZOAYTZLBHLNS-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CCC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001484723915 1395487700 /nfs/dbraw/zinc/48/77/00/1395487700.db2.gz KYGGBTBVHVPTCF-WOJBJXKFSA-N 2 0 343.515 3.060 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001484728126 1395491639 /nfs/dbraw/zinc/49/16/39/1395491639.db2.gz JWUUFXLQBHYMDS-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001484927095 1395594879 /nfs/dbraw/zinc/59/48/79/1395594879.db2.gz HTNSLLAYCCALDB-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001484938057 1395596530 /nfs/dbraw/zinc/59/65/30/1395596530.db2.gz UIQMUHFSWOGDOI-MJGOQNOKSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001485082419 1395652348 /nfs/dbraw/zinc/65/23/48/1395652348.db2.gz OLNOCEGMXRDUJZ-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H](NC(=O)C1CC[NH+](C)CC1)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001485186072 1395692732 /nfs/dbraw/zinc/69/27/32/1395692732.db2.gz BLYCFKZRMDJHKE-HOTGVXAUSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001485241923 1395735997 /nfs/dbraw/zinc/73/59/97/1395735997.db2.gz PIVIWQFDIWXQFZ-VNCLNFNDSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001485310044 1395787621 /nfs/dbraw/zinc/78/76/21/1395787621.db2.gz OHHNAGHBCGRYIK-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001485346762 1395820642 /nfs/dbraw/zinc/82/06/42/1395820642.db2.gz BIOGATQZRUPYKJ-WWDZGPRUSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC(C)(C)C ZINC001485357689 1395832772 /nfs/dbraw/zinc/83/27/72/1395832772.db2.gz LIKWQANXDWUZJX-DLBZAZTESA-N 2 0 325.541 3.122 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cccc(F)c2)CCCCC1 ZINC001485456630 1395926759 /nfs/dbraw/zinc/92/67/59/1395926759.db2.gz YWOLMPGSNJXVNF-UHFFFAOYSA-N 2 0 349.494 3.076 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001485570916 1396036252 /nfs/dbraw/zinc/03/62/52/1396036252.db2.gz VGUYCUNULQSOJE-FMQYZMKESA-N 2 0 349.563 3.290 10 0 EGAERP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001485759525 1396134673 /nfs/dbraw/zinc/13/46/73/1396134673.db2.gz YISSUICBSCVKJE-YXBWYFRISA-N 2 0 337.552 3.242 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001486154013 1396180281 /nfs/dbraw/zinc/18/02/81/1396180281.db2.gz JPQNFBZSEUKYBG-ZVDOUQERSA-N 2 0 349.563 3.412 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001499957411 1396185295 /nfs/dbraw/zinc/18/52/95/1396185295.db2.gz BXIIBFMKOKJLKZ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486238207 1396186840 /nfs/dbraw/zinc/18/68/40/1396186840.db2.gz NGSPQTHSVRWSBB-IWAYRVGRSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001486251455 1396190134 /nfs/dbraw/zinc/19/01/34/1396190134.db2.gz ZSMXXAARPAFIDX-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001502647156 1396211567 /nfs/dbraw/zinc/21/15/67/1396211567.db2.gz HEAKNOMEJJGJGM-FBQMEGEOSA-N 2 0 341.499 3.069 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001502734807 1396223484 /nfs/dbraw/zinc/22/34/84/1396223484.db2.gz LDKMPPUMZHZIRO-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001492091580 1396303808 /nfs/dbraw/zinc/30/38/08/1396303808.db2.gz FAPRAPGTIFGFHN-ICSRJNTNSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001492128914 1396306454 /nfs/dbraw/zinc/30/64/54/1396306454.db2.gz ILONKGYQNDBQQD-MSOLQXFVSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)[C@H](C)c2ccccc2)CC1 ZINC001494214268 1396403282 /nfs/dbraw/zinc/40/32/82/1396403282.db2.gz HVABCDSWRXDNQA-GOSISDBHSA-N 2 0 345.531 3.258 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(CC[N@H+](CC3CCCCCC3)C2)CC1 ZINC001495602123 1396548254 /nfs/dbraw/zinc/54/82/54/1396548254.db2.gz BLGJMGNMBWEJDI-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001496338247 1396655185 /nfs/dbraw/zinc/65/51/85/1396655185.db2.gz FGBOKBBZDSURGA-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001496338250 1396655575 /nfs/dbraw/zinc/65/55/75/1396655575.db2.gz FGBOKBBZDSURGA-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001496350671 1396660652 /nfs/dbraw/zinc/66/06/52/1396660652.db2.gz KWDIJXWLXZROPX-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001496397006 1396687197 /nfs/dbraw/zinc/68/71/97/1396687197.db2.gz VIXNQEPMYXZPDU-NZSAHSFTSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001496414127 1396697264 /nfs/dbraw/zinc/69/72/64/1396697264.db2.gz KZRIASHYSKXFOY-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001496490831 1396709081 /nfs/dbraw/zinc/70/90/81/1396709081.db2.gz JCDQQZFLBUEQFG-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CC2=CCCCC2)CC1 ZINC001497300209 1396746612 /nfs/dbraw/zinc/74/66/12/1396746612.db2.gz NIMDVSPQQGHCGZ-QGZVFWFLSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CC1CC1 ZINC001689056809 1396857832 /nfs/dbraw/zinc/85/78/32/1396857832.db2.gz YOQPLQRMYJYDLR-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2CC[NH+](C)CC2)CC[N@@H+]1CCCC(C)(C)C ZINC001689186213 1396963553 /nfs/dbraw/zinc/96/35/53/1396963553.db2.gz BZCJQMMYXLACLM-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001689267942 1396999335 /nfs/dbraw/zinc/99/93/35/1396999335.db2.gz UUDOEUUDXRPEGO-CQQBRXBZSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001689271121 1397004512 /nfs/dbraw/zinc/00/45/12/1397004512.db2.gz CONYUSGMBPBAJS-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001689271120 1397005010 /nfs/dbraw/zinc/00/50/10/1397005010.db2.gz CONYUSGMBPBAJS-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)c1 ZINC001689272015 1397009530 /nfs/dbraw/zinc/00/95/30/1397009530.db2.gz VLSSGJKXIZSBOS-LJQANCHMSA-N 2 0 349.494 3.082 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001498492382 1397036746 /nfs/dbraw/zinc/03/67/46/1397036746.db2.gz UUONQGVBNBRRKQ-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CC2CCCCCC2)CC1 ZINC001689869565 1404176819 /nfs/dbraw/zinc/17/68/19/1404176819.db2.gz NATUETUCQIXSEE-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689909218 1404202029 /nfs/dbraw/zinc/20/20/29/1404202029.db2.gz MHJJVVFBAULIEB-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)[C@@H](C)c1ccccc1C ZINC001689950126 1404222378 /nfs/dbraw/zinc/22/23/78/1404222378.db2.gz DGFAETUDXBXFOF-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001690012380 1404254463 /nfs/dbraw/zinc/25/44/63/1404254463.db2.gz AZJFOMZLLIYUMG-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]([NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001690162906 1404360610 /nfs/dbraw/zinc/36/06/10/1404360610.db2.gz RELVSILRTHEDGL-VQIMIIECSA-N 2 0 343.515 3.106 10 0 EGAERP CCc1nccn1[C@@H](C)CC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001690226365 1404427540 /nfs/dbraw/zinc/42/75/40/1404427540.db2.gz OQCZFOBYNZPOBB-IRXDYDNUSA-N 2 0 348.535 3.413 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001690317773 1404474679 /nfs/dbraw/zinc/47/46/79/1404474679.db2.gz KNJGFEWAHZDJEZ-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690409017 1404544121 /nfs/dbraw/zinc/54/41/21/1404544121.db2.gz DUOUVZNDQRGUJG-ZRHASKPBSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001690458700 1404588901 /nfs/dbraw/zinc/58/89/01/1404588901.db2.gz GNCYFNKDTUNQIR-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001690533896 1404624155 /nfs/dbraw/zinc/62/41/55/1404624155.db2.gz AFTMRDGYUIQNMI-VIQWUECVSA-N 2 0 349.563 3.458 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001690783749 1404730941 /nfs/dbraw/zinc/73/09/41/1404730941.db2.gz FVFOKBLITZFCHN-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001690818322 1404753019 /nfs/dbraw/zinc/75/30/19/1404753019.db2.gz DXBXMVOFOUYSOI-NHQAVIFJSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001725631462 1426299662 /nfs/dbraw/zinc/29/96/62/1426299662.db2.gz NZEQVXACTSBBGF-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C[C@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001691277160 1405188186 /nfs/dbraw/zinc/18/81/86/1405188186.db2.gz QRPQJVQRPHJYIB-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001691302271 1405197961 /nfs/dbraw/zinc/19/79/61/1405197961.db2.gz VJPTVJNEFHFJEC-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001691358687 1405213348 /nfs/dbraw/zinc/21/33/48/1405213348.db2.gz QIJKBEFPNFUYFV-QRVBRYPASA-N 2 0 337.552 3.124 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691619231 1405360643 /nfs/dbraw/zinc/36/06/43/1405360643.db2.gz HFXOJXCTIFPSTJ-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629910 1405367628 /nfs/dbraw/zinc/36/76/28/1405367628.db2.gz YGABYHXIIGGFAX-RTBURBONSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677653 1405412006 /nfs/dbraw/zinc/41/20/06/1405412006.db2.gz FOLDHUJFSXETDH-OALUTQOASA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001691691753 1405426423 /nfs/dbraw/zinc/42/64/23/1405426423.db2.gz DNRLBUPQXCNWAR-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001691728340 1405452165 /nfs/dbraw/zinc/45/21/65/1405452165.db2.gz QGKMKEIYXXOXAA-ZWKOTPCHSA-N 2 0 339.568 3.227 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691790612 1405500891 /nfs/dbraw/zinc/50/08/91/1405500891.db2.gz TUQYGYIASLNJNQ-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]([NH2+][C@H](CNC(=O)CC[NH+](C)C)c1ccccc1)c1ccccc1 ZINC001691793360 1405502903 /nfs/dbraw/zinc/50/29/03/1405502903.db2.gz VKNAARXMMRHLMR-YLJYHZDGSA-N 2 0 339.483 3.146 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001691955242 1405673806 /nfs/dbraw/zinc/67/38/06/1405673806.db2.gz NETOQDFMJAAOCJ-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001691960367 1405677326 /nfs/dbraw/zinc/67/73/26/1405677326.db2.gz PSBYOAQNFKISMA-IHHMQQGQSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001691999861 1405715924 /nfs/dbraw/zinc/71/59/24/1405715924.db2.gz PLSUNOHDIFYUTL-BEFAXECRSA-N 2 0 342.487 3.273 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001692010913 1405728950 /nfs/dbraw/zinc/72/89/50/1405728950.db2.gz ZUYWAJSROPYQLJ-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC1CCC(C)CC1 ZINC001692022023 1405741117 /nfs/dbraw/zinc/74/11/17/1405741117.db2.gz PDSDDFSQTJPQJW-WZOJCFFYSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692104686 1405773319 /nfs/dbraw/zinc/77/33/19/1405773319.db2.gz YTMNXWZLZWGBPM-PKOBYXMFSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001692335962 1405956131 /nfs/dbraw/zinc/95/61/31/1405956131.db2.gz BZNAOUSXBYYZNP-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001692336394 1405957060 /nfs/dbraw/zinc/95/70/60/1405957060.db2.gz OJIVLXKCAGFFIO-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382220 1405987805 /nfs/dbraw/zinc/98/78/05/1405987805.db2.gz DVNVKRGJUBIIIG-QYZOEREBSA-N 2 0 343.515 3.073 10 0 EGAERP CN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731911997 1428168135 /nfs/dbraw/zinc/16/81/35/1428168135.db2.gz XOLQBQKQSHQCRR-JLHYYAGUSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001732013540 1428227850 /nfs/dbraw/zinc/22/78/50/1428227850.db2.gz QTMQNYBDOFMCBR-CGQZWFTASA-N 2 0 343.943 3.219 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698549292 1406147148 /nfs/dbraw/zinc/14/71/48/1406147148.db2.gz QIYIBQLADJLJMC-YJJPMGAVSA-N 2 0 343.515 3.299 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001698582681 1406195703 /nfs/dbraw/zinc/19/57/03/1406195703.db2.gz TXMKNYQRYGBGKB-VQTJNVASSA-N 2 0 347.547 3.284 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698583875 1406197947 /nfs/dbraw/zinc/19/79/47/1406197947.db2.gz XPDNSWCKUQXBPW-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001698602680 1406229361 /nfs/dbraw/zinc/22/93/61/1406229361.db2.gz NATSHWASMJXNDM-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001698605824 1406233154 /nfs/dbraw/zinc/23/31/54/1406233154.db2.gz UBZJJSHGBZBKCV-WOJBJXKFSA-N 2 0 345.531 3.279 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H](CCNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001732048130 1428285925 /nfs/dbraw/zinc/28/59/25/1428285925.db2.gz BGEDBUSLWUQJFK-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc([C@H](C)[NH+](C)C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001732085037 1428343310 /nfs/dbraw/zinc/34/33/10/1428343310.db2.gz YGVVQEKXPOYYPY-OALUTQOASA-N 2 0 345.531 3.177 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732189717 1428441268 /nfs/dbraw/zinc/44/12/68/1428441268.db2.gz LOWWSKQFPVZYAW-QGZVFWFLSA-N 2 0 325.541 3.076 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001732204088 1428454030 /nfs/dbraw/zinc/45/40/30/1428454030.db2.gz CBBUBWJYBOIKTE-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001732223274 1428472016 /nfs/dbraw/zinc/47/20/16/1428472016.db2.gz NLRQKYYKCVQGHY-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001732311291 1428524395 /nfs/dbraw/zinc/52/43/95/1428524395.db2.gz YYXPKXJTQHCXLK-VJANTYMQSA-N 2 0 335.536 3.211 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001732318829 1428529011 /nfs/dbraw/zinc/52/90/11/1428529011.db2.gz RYOIOSTWHHGTRQ-FQEVSTJZSA-N 2 0 343.515 3.067 10 0 EGAERP Cc1c(C(=O)N(C)[C@H](C)C[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001732428173 1428576753 /nfs/dbraw/zinc/57/67/53/1428576753.db2.gz KOJDMUVIYJLIEN-OAHLLOKOSA-N 2 0 340.471 3.193 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)N(C)C(=O)CC[NH+](C)C ZINC001732438229 1428580909 /nfs/dbraw/zinc/58/09/09/1428580909.db2.gz VGGDAFGKFCKMTG-KRWDZBQOSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732443595 1428583352 /nfs/dbraw/zinc/58/33/52/1428583352.db2.gz VHIXFVZSMKXXDA-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CCC(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)CC1 ZINC001732513985 1428633002 /nfs/dbraw/zinc/63/30/02/1428633002.db2.gz HEDVZGZMJCNGTD-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC2)c1 ZINC001732515912 1428634984 /nfs/dbraw/zinc/63/49/84/1428634984.db2.gz HKIKLIXPNRMZPF-HXUWFJFHSA-N 2 0 343.515 3.133 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001732523053 1428642039 /nfs/dbraw/zinc/64/20/39/1428642039.db2.gz FEUQVGCFTDFWBF-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732534589 1428655462 /nfs/dbraw/zinc/65/54/62/1428655462.db2.gz XWGPKSISGZTGCI-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001699113778 1412516552 /nfs/dbraw/zinc/51/65/52/1412516552.db2.gz YCWGNSVIXFFHMD-OAHLLOKOSA-N 2 0 340.471 3.241 10 0 EGAERP CC[C@@H]([NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccccc1 ZINC001699186965 1412560145 /nfs/dbraw/zinc/56/01/45/1412560145.db2.gz WDUFTANSFKPWRN-KZNAEPCWSA-N 2 0 340.471 3.103 10 0 EGAERP CCN(CC[NH2+]Cc1cc2ccccc2s1)C(=O)C[N@H+](C)C(C)C ZINC001699220247 1412584898 /nfs/dbraw/zinc/58/48/98/1412584898.db2.gz NYIHUWHVAXNQMK-UHFFFAOYSA-N 2 0 347.528 3.180 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)c1cccc(Cl)c1 ZINC001699268269 1412605556 /nfs/dbraw/zinc/60/55/56/1412605556.db2.gz VLSBULBAHWKXHE-JZIMQPMSSA-N 2 0 349.906 3.147 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699271250 1412607653 /nfs/dbraw/zinc/60/76/53/1412607653.db2.gz NITWVPTVQALVPB-HMTUNPETSA-N 2 0 343.515 3.192 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001699451588 1412792068 /nfs/dbraw/zinc/79/20/68/1412792068.db2.gz VQSFPTUDLNDRNP-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001699474945 1412866771 /nfs/dbraw/zinc/86/67/71/1412866771.db2.gz YQWXKOJNRZDTTM-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001699581096 1412937305 /nfs/dbraw/zinc/93/73/05/1412937305.db2.gz UVMNKNXBCCEWPI-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001699604099 1412966994 /nfs/dbraw/zinc/96/69/94/1412966994.db2.gz CYLUYAXYOVXHDP-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001699641575 1413021297 /nfs/dbraw/zinc/02/12/97/1413021297.db2.gz FISQHWLMTYTLSF-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699678217 1413073497 /nfs/dbraw/zinc/07/34/97/1413073497.db2.gz PFMIQASDXNWPMX-NXEWRWPSSA-N 2 0 349.563 3.407 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([N@H+](CC2CC2)CC2CCCCC2)CC1 ZINC001699688764 1413090239 /nfs/dbraw/zinc/09/02/39/1413090239.db2.gz ISFRJHNCNJTKJS-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001699696965 1413107559 /nfs/dbraw/zinc/10/75/59/1413107559.db2.gz HMBPUGJZGVZTBV-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699767960 1413173496 /nfs/dbraw/zinc/17/34/96/1413173496.db2.gz YTFXTMGHXRUOGZ-RRFGBZISSA-N 2 0 343.515 3.299 10 0 EGAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001732545138 1428719780 /nfs/dbraw/zinc/71/97/80/1428719780.db2.gz SPGBQBWAZMVMKK-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699945543 1413389542 /nfs/dbraw/zinc/38/95/42/1413389542.db2.gz UQTKBKFOJHPWDF-RTBURBONSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001699967619 1413407486 /nfs/dbraw/zinc/40/74/86/1413407486.db2.gz APVGPXFZLSOUNF-QUCCMNQESA-N 2 0 347.547 3.047 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001699977180 1413419920 /nfs/dbraw/zinc/41/99/20/1413419920.db2.gz BMNKQGNBWPFXHH-ACDBMABISA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001699981939 1413428401 /nfs/dbraw/zinc/42/84/01/1413428401.db2.gz QOMQIPUQGSLGPA-IYARVYRRSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+]([C@@H](C)c3ccccc3)C[C@H]21 ZINC001700020554 1413468410 /nfs/dbraw/zinc/46/84/10/1413468410.db2.gz ZPAVARUZVDZTEU-YSIASYRMSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@H+](C)CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001732550880 1428733187 /nfs/dbraw/zinc/73/31/87/1428733187.db2.gz JNGOQUIBWBFXQI-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCC1 ZINC001700132807 1413549606 /nfs/dbraw/zinc/54/96/06/1413549606.db2.gz ILXODSKOEFRVKU-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700219289 1413664021 /nfs/dbraw/zinc/66/40/21/1413664021.db2.gz CDRZNUZRJCOWLD-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001700286301 1413733644 /nfs/dbraw/zinc/73/36/44/1413733644.db2.gz IURMTENGKSIJOG-IAGOWNOFSA-N 2 0 346.519 3.139 10 0 EGAERP CC1(C)C[N@H+](CCC2CC2)CC[C@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001700294530 1413753364 /nfs/dbraw/zinc/75/33/64/1413753364.db2.gz WOJTURBJZZMHPN-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001700327612 1413798733 /nfs/dbraw/zinc/79/87/33/1413798733.db2.gz QLUWIZIWAQKPFP-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001700362475 1413878770 /nfs/dbraw/zinc/87/87/70/1413878770.db2.gz KZDLPJHXRUZKHD-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001700379289 1413906605 /nfs/dbraw/zinc/90/66/05/1413906605.db2.gz SFNNVFMEUQZQQY-IPJUCJBFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001732571980 1428768140 /nfs/dbraw/zinc/76/81/40/1428768140.db2.gz AVAAZTSSYGKXHV-LJQANCHMSA-N 2 0 335.536 3.093 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001700520977 1414175713 /nfs/dbraw/zinc/17/57/13/1414175713.db2.gz JOOKEZAIAWDSJI-CEXWTWQISA-N 2 0 349.563 3.173 10 0 EGAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732581586 1428787519 /nfs/dbraw/zinc/78/75/19/1428787519.db2.gz HLTWSVFIGBNPPG-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](CC(=O)N[C@H]1C[N@H+](CCC(C)(C)C)CC1(C)C)n1ccnc1 ZINC001700577027 1414251832 /nfs/dbraw/zinc/25/18/32/1414251832.db2.gz UZNPMOCQDLTKSS-HOTGVXAUSA-N 2 0 334.508 3.097 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001732584818 1428795766 /nfs/dbraw/zinc/79/57/66/1428795766.db2.gz CHVJCWMCPRASSD-QFBILLFUSA-N 2 0 349.494 3.151 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC001700623486 1414295220 /nfs/dbraw/zinc/29/52/20/1414295220.db2.gz ITDVWHBZJXCIIN-NRSPTQNISA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001700637459 1414303854 /nfs/dbraw/zinc/30/38/54/1414303854.db2.gz MODOUVMQECAUAH-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001700665420 1414323954 /nfs/dbraw/zinc/32/39/54/1414323954.db2.gz OKGNVRZSIFWHJE-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC([N@H+](C)CCC3=CCCCC3)CC2)CC1 ZINC001700695309 1414350542 /nfs/dbraw/zinc/35/05/42/1414350542.db2.gz DEWNAJSLTZZOIH-UHFFFAOYSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001700696851 1414355127 /nfs/dbraw/zinc/35/51/27/1414355127.db2.gz QMOZNZPTZRPLPC-UHFFFAOYSA-N 2 0 345.531 3.475 10 0 EGAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001700732752 1414397459 /nfs/dbraw/zinc/39/74/59/1414397459.db2.gz QGOSXLWEHGHNGB-QUCCMNQESA-N 2 0 349.563 3.125 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700825975 1414481616 /nfs/dbraw/zinc/48/16/16/1414481616.db2.gz IEUDCYFUUKUOQP-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001700860238 1414509056 /nfs/dbraw/zinc/50/90/56/1414509056.db2.gz SDTFYPTZSJCPEP-ZLQADLMRSA-N 2 0 343.515 3.297 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001700867253 1414519938 /nfs/dbraw/zinc/51/99/38/1414519938.db2.gz QIRNGXGYWWEJJX-UYAOXDASSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC1=CCCCC1)CC2 ZINC001700869882 1414523694 /nfs/dbraw/zinc/52/36/94/1414523694.db2.gz WQQXRTWSBYRVNN-PZJWPPBQSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001700873593 1414527504 /nfs/dbraw/zinc/52/75/04/1414527504.db2.gz NJMSXEQODKNHHX-XUVXKRRUSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC001700918124 1414570090 /nfs/dbraw/zinc/57/00/90/1414570090.db2.gz ZNYKNGCPMRRJNW-SLFFLAALSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001700941293 1414583919 /nfs/dbraw/zinc/58/39/19/1414583919.db2.gz FLKZADNRWYOKPL-YZPMEYCISA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC2CC2)C(C)(C)C)CC1 ZINC001700995913 1414643982 /nfs/dbraw/zinc/64/39/82/1414643982.db2.gz VHIFLWSZPQDEOT-SFHVURJKSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C/Cl)C(C)(C)C ZINC001700996104 1414644570 /nfs/dbraw/zinc/64/45/70/1414644570.db2.gz NCXKHRIJIBDUEO-VQVOLHRSSA-N 2 0 343.943 3.122 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001701031842 1414694867 /nfs/dbraw/zinc/69/48/67/1414694867.db2.gz WMLVVRBWHGGDHL-CTWPCTMYSA-N 2 0 349.563 3.122 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001701047933 1414704507 /nfs/dbraw/zinc/70/45/07/1414704507.db2.gz RFLHAEYESXSQPB-IBGZPJMESA-N 2 0 349.563 3.434 10 0 EGAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001732597105 1428836820 /nfs/dbraw/zinc/83/68/20/1428836820.db2.gz HFNKTIXZPSVPSZ-HDICACEKSA-N 2 0 345.531 3.012 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732698422 1428915299 /nfs/dbraw/zinc/91/52/99/1428915299.db2.gz BPARCEUIUVXDHB-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001732781320 1428966909 /nfs/dbraw/zinc/96/69/09/1428966909.db2.gz WQSQKVRXPKLAND-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001732781322 1428966925 /nfs/dbraw/zinc/96/69/25/1428966925.db2.gz WQSQKVRXPKLAND-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001733007829 1429127638 /nfs/dbraw/zinc/12/76/38/1429127638.db2.gz PWQQRRSXQWHBAY-MAUKXSAKSA-N 2 0 349.494 3.246 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H]2CC[NH+]2CCCC(C)C)C1 ZINC001707051760 1417164332 /nfs/dbraw/zinc/16/43/32/1417164332.db2.gz SSWWKYZEEZPUTA-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001707234773 1417255979 /nfs/dbraw/zinc/25/59/79/1417255979.db2.gz OFFRLOPFPBVLMM-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707247410 1417264652 /nfs/dbraw/zinc/26/46/52/1417264652.db2.gz PTPOCLDEUKXOHD-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001707419976 1417328214 /nfs/dbraw/zinc/32/82/14/1417328214.db2.gz ZTQCQHWELRAMNX-PMACEKPBSA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC(C)(C)C ZINC001707463617 1417365385 /nfs/dbraw/zinc/36/53/85/1417365385.db2.gz AXJFKHNDOBBOEN-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](C)CCCC2CCC2)ccc2c[nH+]cn21 ZINC001712956270 1417512671 /nfs/dbraw/zinc/51/26/71/1417512671.db2.gz ACXWSMMCACWHAE-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCCC1 ZINC001712976610 1417528861 /nfs/dbraw/zinc/52/88/61/1417528861.db2.gz GHDJKKHDYDFPSH-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001712998946 1417551123 /nfs/dbraw/zinc/55/11/23/1417551123.db2.gz IPUCONDOUBBGQN-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001713052613 1417604537 /nfs/dbraw/zinc/60/45/37/1417604537.db2.gz LMQHGYYRNDNQQC-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001713089377 1417636722 /nfs/dbraw/zinc/63/67/22/1417636722.db2.gz SVVQEXUBNHRNHS-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001713098709 1417649629 /nfs/dbraw/zinc/64/96/29/1417649629.db2.gz TZSKRSQQQWGVAP-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CCC2CCCCC2)C2CC2)CC1 ZINC001713122319 1417688421 /nfs/dbraw/zinc/68/84/21/1417688421.db2.gz XBARLSXBTISTNJ-FQEVSTJZSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001713123126 1417689902 /nfs/dbraw/zinc/68/99/02/1417689902.db2.gz NXWSXLGDYWPFFG-HXUWFJFHSA-N 2 0 347.547 3.092 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713150239 1417730461 /nfs/dbraw/zinc/73/04/61/1417730461.db2.gz PPSGLGLOQXLNSJ-DSQZMVHQSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713166412 1417740817 /nfs/dbraw/zinc/74/08/17/1417740817.db2.gz RMXNNHWUKPQXBW-YVHUAWIJSA-N 2 0 347.547 3.377 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001713175727 1417748940 /nfs/dbraw/zinc/74/89/40/1417748940.db2.gz MTSMQPGLQYYJIL-UFYCRDLUSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001713181090 1417755529 /nfs/dbraw/zinc/75/55/29/1417755529.db2.gz DEUOXDOCFATPNW-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001713255807 1417855203 /nfs/dbraw/zinc/85/52/03/1417855203.db2.gz SLSGLERGVSVSKA-FHWLQOOXSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713349633 1417968695 /nfs/dbraw/zinc/96/86/95/1417968695.db2.gz IYUYMNJIZUGESI-SFFCAUCYSA-N 2 0 349.563 3.293 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001713395399 1418011750 /nfs/dbraw/zinc/01/17/50/1418011750.db2.gz HWPBNVITDPARBD-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713407326 1418030290 /nfs/dbraw/zinc/03/02/90/1418030290.db2.gz AGVYIVRUHGRPLE-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001713408951 1418032202 /nfs/dbraw/zinc/03/22/02/1418032202.db2.gz HGOMKLWIQDJPRW-OAHLLOKOSA-N 2 0 349.544 3.408 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1cc(C)cc(C)c1 ZINC001713486490 1418181175 /nfs/dbraw/zinc/18/11/75/1418181175.db2.gz LEDIONUOHNDQLF-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCCCC1 ZINC001713515099 1418249742 /nfs/dbraw/zinc/24/97/42/1418249742.db2.gz OJUVXKMDWGZRPH-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001713517539 1418254853 /nfs/dbraw/zinc/25/48/53/1418254853.db2.gz MBVRTSAHEQGFGD-DLBZAZTESA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)(C)CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001713556829 1418350519 /nfs/dbraw/zinc/35/05/19/1418350519.db2.gz BFSPZTOSIIYGMI-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC1=CCCCC1)C1CC1 ZINC001713557262 1418351729 /nfs/dbraw/zinc/35/17/29/1418351729.db2.gz NQCKBYCRMGZOMU-FQEVSTJZSA-N 2 0 347.547 3.330 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713558791 1418354149 /nfs/dbraw/zinc/35/41/49/1418354149.db2.gz UYELVVBCSNBRBO-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001713681781 1418433693 /nfs/dbraw/zinc/43/36/93/1418433693.db2.gz MTNAEIRUOCTHSG-PXNSSMCTSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001713683631 1418436200 /nfs/dbraw/zinc/43/62/00/1418436200.db2.gz AXLGUZYJHSLWJN-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001713683552 1418436264 /nfs/dbraw/zinc/43/62/64/1418436264.db2.gz ZLDKFVBOJJRCMU-FUHWJXTLSA-N 2 0 339.568 3.226 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001713702863 1418461756 /nfs/dbraw/zinc/46/17/56/1418461756.db2.gz QBIVAZVFDINPTB-RBUKOAKNSA-N 2 0 331.504 3.106 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713751387 1418552617 /nfs/dbraw/zinc/55/26/17/1418552617.db2.gz UBZQOUQXNZMORY-UYAOXDASSA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792449 1418611139 /nfs/dbraw/zinc/61/11/39/1418611139.db2.gz UENRHNCUKVTCMU-YSKLNCTFSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713848546 1418644292 /nfs/dbraw/zinc/64/42/92/1418644292.db2.gz AXRYARFKOULMQP-PHWHVTFISA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001713849975 1418645675 /nfs/dbraw/zinc/64/56/75/1418645675.db2.gz OGNNQWBNHCJSMS-PXPVJAHISA-N 2 0 347.547 3.045 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713852754 1418649356 /nfs/dbraw/zinc/64/93/56/1418649356.db2.gz FVENJXZMGCPRRR-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713855327 1418652084 /nfs/dbraw/zinc/65/20/84/1418652084.db2.gz SRCNKJATFLNPCK-MOPGFXCFSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C1CC1 ZINC001713865554 1418662610 /nfs/dbraw/zinc/66/26/10/1418662610.db2.gz HAYCAQBWPLOKGL-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713897376 1418695627 /nfs/dbraw/zinc/69/56/27/1418695627.db2.gz RWXWXWCIWMIDDT-KKHYBRAUSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001713992916 1418772421 /nfs/dbraw/zinc/77/24/21/1418772421.db2.gz CNPGOSJFQDHPQC-XWTMOSNGSA-N 2 0 335.536 3.066 10 0 EGAERP CCc1nccn1[C@H](C)CC(=O)N(C)[C@@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001714000332 1418779605 /nfs/dbraw/zinc/77/96/05/1418779605.db2.gz AYGQAXKDKVPHBM-SJLPKXTDSA-N 2 0 348.535 3.366 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714046213 1418842057 /nfs/dbraw/zinc/84/20/57/1418842057.db2.gz ZTRULOMXBMGNCH-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714047761 1418844176 /nfs/dbraw/zinc/84/41/76/1418844176.db2.gz HKEUYMNJGAHGRE-BGEOSOQGSA-N 2 0 349.563 3.291 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2cccc(F)c2)C1 ZINC001714053784 1418852706 /nfs/dbraw/zinc/85/27/06/1418852706.db2.gz NIJGCLHCGSLQER-VQIMIIECSA-N 2 0 349.494 3.150 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714078567 1418872780 /nfs/dbraw/zinc/87/27/80/1418872780.db2.gz XECJVPMRUJORNH-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714086441 1418879895 /nfs/dbraw/zinc/87/98/95/1418879895.db2.gz MAPQKRJAADWPCO-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001714093314 1418886906 /nfs/dbraw/zinc/88/69/06/1418886906.db2.gz LREVFZQJIPJMEW-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ccc1C ZINC001714125488 1418930108 /nfs/dbraw/zinc/93/01/08/1418930108.db2.gz WWBYTTCKJBOLQL-VQTJNVASSA-N 2 0 345.531 3.162 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001714130384 1418933770 /nfs/dbraw/zinc/93/37/70/1418933770.db2.gz WVMVZHTXZWELRI-HMECNJMJSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001714223810 1419018493 /nfs/dbraw/zinc/01/84/93/1419018493.db2.gz BNPWFJNQGHRSSB-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CCCC(C)(C)C ZINC001714259110 1419043260 /nfs/dbraw/zinc/04/32/60/1419043260.db2.gz YPKKQHKXYMVMLL-QGZVFWFLSA-N 2 0 339.568 3.419 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714274903 1419055417 /nfs/dbraw/zinc/05/54/17/1419055417.db2.gz XBSYMCDNFGMUEB-QZTJIDSGSA-N 2 0 347.547 3.437 10 0 EGAERP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001714320977 1419099829 /nfs/dbraw/zinc/09/98/29/1419099829.db2.gz JLBUSWWKCCIKBM-KRWDZBQOSA-N 2 0 345.531 3.313 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001714330782 1419110874 /nfs/dbraw/zinc/11/08/74/1419110874.db2.gz BSAVRRWVZLDEMA-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCC(C)(C)C)C1 ZINC001714434655 1419167501 /nfs/dbraw/zinc/16/75/01/1419167501.db2.gz CTQUOXAYXYTCFL-ZWKOTPCHSA-N 2 0 337.552 3.218 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001714472789 1419197798 /nfs/dbraw/zinc/19/77/98/1419197798.db2.gz JZHVZNKZDNMEGF-MSOLQXFVSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@H](C)c1ccccc1 ZINC001714476044 1419199628 /nfs/dbraw/zinc/19/96/28/1419199628.db2.gz VVPBCSNWDMPJMX-QZTJIDSGSA-N 2 0 343.515 3.108 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001714512440 1419239280 /nfs/dbraw/zinc/23/92/80/1419239280.db2.gz IACAFSGTWOXYHW-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CCC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001714521285 1419247224 /nfs/dbraw/zinc/24/72/24/1419247224.db2.gz ODWPJCWKCVBZQW-SFFCAUCYSA-N 2 0 347.547 3.142 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001714537358 1419263839 /nfs/dbraw/zinc/26/38/39/1419263839.db2.gz JKYNIHQPKZUSFP-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001714731190 1419486596 /nfs/dbraw/zinc/48/65/96/1419486596.db2.gz RUURXTFOZCQWCY-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769673 1419500560 /nfs/dbraw/zinc/50/05/60/1419500560.db2.gz FKYJDRPGJVVGCR-FUHWJXTLSA-N 2 0 337.552 3.122 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2F)C1 ZINC001714866719 1419594443 /nfs/dbraw/zinc/59/44/43/1419594443.db2.gz ATZHNMBZRPAFBV-DLBZAZTESA-N 2 0 349.494 3.151 10 0 EGAERP CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001714867849 1419595734 /nfs/dbraw/zinc/59/57/34/1419595734.db2.gz XELOXFQJYOJXST-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714869133 1419598221 /nfs/dbraw/zinc/59/82/21/1419598221.db2.gz SBXACGVYHAWSBZ-QGZVFWFLSA-N 2 0 340.471 3.051 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001714884814 1419624331 /nfs/dbraw/zinc/62/43/31/1419624331.db2.gz YHDHNPMKHRRBFV-UYAOXDASSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001714918001 1419669759 /nfs/dbraw/zinc/66/97/59/1419669759.db2.gz KWQHNJPGFPYXKD-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP CN(C)[C@@H](C(=O)NC1C[NH+](CCC2CCCCC2)C1)c1ccccc1 ZINC001714954344 1419695252 /nfs/dbraw/zinc/69/52/52/1419695252.db2.gz PBUJOBZMIWCYES-HXUWFJFHSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714980660 1419715334 /nfs/dbraw/zinc/71/53/34/1419715334.db2.gz UIGFBEOCULDPCG-RTBURBONSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001715007749 1419736778 /nfs/dbraw/zinc/73/67/78/1419736778.db2.gz CWVVTWKQJDLDLV-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001715065125 1419802421 /nfs/dbraw/zinc/80/24/21/1419802421.db2.gz SZHJXGHOLIJPRP-QUCCMNQESA-N 2 0 349.563 3.458 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)c1 ZINC001715089476 1419829691 /nfs/dbraw/zinc/82/96/91/1419829691.db2.gz UBYCJFJABHFGLN-PMACEKPBSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CCCCCC1)[NH+]1CCCC1 ZINC001733238510 1429380056 /nfs/dbraw/zinc/38/00/56/1429380056.db2.gz UNIYVJUZGCBLMJ-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001715190771 1419923073 /nfs/dbraw/zinc/92/30/73/1419923073.db2.gz KTEMYYIAZSSYNY-PSBWJHGTSA-N 2 0 337.552 3.312 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CCCCCC1 ZINC001715227894 1419960444 /nfs/dbraw/zinc/96/04/44/1419960444.db2.gz GSWLCNCCKOYNRP-FXAWDEMLSA-N 2 0 349.563 3.031 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001715238863 1419969136 /nfs/dbraw/zinc/96/91/36/1419969136.db2.gz JGVTZJOZFRKNMN-HNNXBMFYSA-N 2 0 340.471 3.099 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715249035 1419974826 /nfs/dbraw/zinc/97/48/26/1419974826.db2.gz DJEAYHRTHHEWQR-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001715304607 1420012993 /nfs/dbraw/zinc/01/29/93/1420012993.db2.gz CDQVQUMKUXTFCP-DOTOQJQBSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001715307909 1420016717 /nfs/dbraw/zinc/01/67/17/1420016717.db2.gz SVUDRGUAKIPJBE-KRWDZBQOSA-N 2 0 345.531 3.427 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001715312375 1420021741 /nfs/dbraw/zinc/02/17/41/1420021741.db2.gz SPEKOKCHHIMIHC-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001715417105 1420111023 /nfs/dbraw/zinc/11/10/23/1420111023.db2.gz CEWGEOIDJZPQOS-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001715428640 1420118472 /nfs/dbraw/zinc/11/84/72/1420118472.db2.gz ZWWJOAVYUPVJKH-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001715458607 1420139218 /nfs/dbraw/zinc/13/92/18/1420139218.db2.gz LGNIPSGFAUQYBP-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001715458606 1420139305 /nfs/dbraw/zinc/13/93/05/1420139305.db2.gz LGNIPSGFAUQYBP-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001715459090 1420139579 /nfs/dbraw/zinc/13/95/79/1420139579.db2.gz RXQNPEGFGGVQEY-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001715463935 1420143411 /nfs/dbraw/zinc/14/34/11/1420143411.db2.gz IIVXJIMRNQOEOH-ROUUACIJSA-N 2 0 337.552 3.147 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001715485450 1420165634 /nfs/dbraw/zinc/16/56/34/1420165634.db2.gz RJFYXRACJGZGMM-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001715557639 1420250981 /nfs/dbraw/zinc/25/09/81/1420250981.db2.gz DRKOCVUMGZPOTO-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001715593008 1420263307 /nfs/dbraw/zinc/26/33/07/1420263307.db2.gz DTRINRJJKCITQZ-KBXCAEBGSA-N 2 0 330.476 3.033 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715656182 1420281244 /nfs/dbraw/zinc/28/12/44/1420281244.db2.gz OPXXUTZRNSBGKZ-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715659363 1420282351 /nfs/dbraw/zinc/28/23/51/1420282351.db2.gz MJMRQONNQXYEFG-AQFXKWCLSA-N 2 0 337.552 3.170 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001715718096 1420309545 /nfs/dbraw/zinc/30/95/45/1420309545.db2.gz YUIXCDXDYJWTAX-GBOJCQPWSA-N 2 0 343.515 3.059 10 0 EGAERP CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)C1([NH+](C)C)CCC1 ZINC001715738546 1420319129 /nfs/dbraw/zinc/31/91/29/1420319129.db2.gz VGNFHNOSYMQBGI-UHFFFAOYSA-N 2 0 345.531 3.034 10 0 EGAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715764656 1420331778 /nfs/dbraw/zinc/33/17/78/1420331778.db2.gz ZDRFKOLGMXBBOJ-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001715855035 1420368429 /nfs/dbraw/zinc/36/84/29/1420368429.db2.gz YLXOEQBFEGWLTG-JVSUKQCGSA-N 2 0 349.563 3.195 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccsc1)[NH+]1CCCCC1 ZINC001715915576 1420395871 /nfs/dbraw/zinc/39/58/71/1420395871.db2.gz UCXCCFRYCCCNNE-XDXAGZTOSA-N 2 0 349.544 3.021 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715979661 1420439070 /nfs/dbraw/zinc/43/90/70/1420439070.db2.gz SAKAQOHCXZMPAU-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CC2CCCCCC2)C1 ZINC001715991549 1420446979 /nfs/dbraw/zinc/44/69/79/1420446979.db2.gz PDULEOKEUJQMKI-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042617 1420505724 /nfs/dbraw/zinc/50/57/24/1420505724.db2.gz RANVQFDAXLHDLM-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@H]21 ZINC001716048646 1420512562 /nfs/dbraw/zinc/51/25/62/1420512562.db2.gz CQSLURCZUQRICA-RBUKOAKNSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001716145016 1420541008 /nfs/dbraw/zinc/54/10/08/1420541008.db2.gz CAMNEOMEUUOIBN-MSOLQXFVSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@@H](CC[NH2+][C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164644 1420547584 /nfs/dbraw/zinc/54/75/84/1420547584.db2.gz XUHFVWHLKPVIQL-IRXDYDNUSA-N 2 0 331.504 3.106 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001716168193 1420548861 /nfs/dbraw/zinc/54/88/61/1420548861.db2.gz BRVJZXLIZJQEEO-MSOLQXFVSA-N 2 0 345.531 3.191 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716336578 1420608719 /nfs/dbraw/zinc/60/87/19/1420608719.db2.gz IPNNNEWAGMGQIX-ROUKRRSUSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716443082 1420661682 /nfs/dbraw/zinc/66/16/82/1420661682.db2.gz VTSFCUNQBQRXME-INIZCTEOSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001716448177 1420665267 /nfs/dbraw/zinc/66/52/67/1420665267.db2.gz VLQWQOMEUIHEPT-ZWKOTPCHSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC(C)(C)CC1)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001716503498 1420733397 /nfs/dbraw/zinc/73/33/97/1420733397.db2.gz RBHRVHRHCNQLQY-UTKZUKDTSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716515497 1420745379 /nfs/dbraw/zinc/74/53/79/1420745379.db2.gz JUEAYMRSWQQNQY-QZTJIDSGSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716520645 1420749462 /nfs/dbraw/zinc/74/94/62/1420749462.db2.gz FDNBXQNCRWUIIL-PSCPARJHSA-N 2 0 349.563 3.339 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001716631349 1420790655 /nfs/dbraw/zinc/79/06/55/1420790655.db2.gz KFBQUOJDCYESJS-VQTJNVASSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001716712237 1420865100 /nfs/dbraw/zinc/86/51/00/1420865100.db2.gz BLKSFSRAEZQCHH-MOPGFXCFSA-N 2 0 335.536 3.118 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001716769755 1420914094 /nfs/dbraw/zinc/91/40/94/1420914094.db2.gz FMIKNAANKWMBFV-HKUYNNGSSA-N 2 0 347.547 3.022 10 0 EGAERP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C2)cc1 ZINC001716770191 1420914517 /nfs/dbraw/zinc/91/45/17/1420914517.db2.gz WMKYCKYTHSRLFH-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716880772 1421005125 /nfs/dbraw/zinc/00/51/25/1421005125.db2.gz TUCVVAJDWPVNGZ-TZIWHRDSSA-N 2 0 345.531 3.308 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004694 1421073390 /nfs/dbraw/zinc/07/33/90/1421073390.db2.gz XBIZYOACKCNDGZ-HNBVOPMISA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001717039095 1421093755 /nfs/dbraw/zinc/09/37/55/1421093755.db2.gz SWKUCPKMKINTNY-RCCFBDPRSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC=C(C)C)cc1)[NH+](C)C ZINC001717114597 1421118506 /nfs/dbraw/zinc/11/85/06/1421118506.db2.gz CPJXWAYHTAIGBF-LPHOPBHVSA-N 2 0 331.504 3.260 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CCC1)C12CCC[NH+]1CCC2 ZINC001717153942 1421144333 /nfs/dbraw/zinc/14/43/33/1421144333.db2.gz DEVYAFWNVUQDEJ-UHFFFAOYSA-N 2 0 347.547 3.214 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCC2CCCC2)CCC1)[NH+]1CCCC1 ZINC001717162833 1421152920 /nfs/dbraw/zinc/15/29/20/1421152920.db2.gz JPYNMWOCTJTLLB-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001717210274 1421182954 /nfs/dbraw/zinc/18/29/54/1421182954.db2.gz DKJVXGLQZLNWBM-NSHGMRRFSA-N 2 0 345.531 3.258 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)cc1 ZINC001717214734 1421191552 /nfs/dbraw/zinc/19/15/52/1421191552.db2.gz IUADBQKHQUVFIE-HXUWFJFHSA-N 2 0 345.531 3.042 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001717238181 1421206387 /nfs/dbraw/zinc/20/63/87/1421206387.db2.gz MGOXQNUNPOWIPZ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001717241829 1421210366 /nfs/dbraw/zinc/21/03/66/1421210366.db2.gz AVAWIDHXMQNJLZ-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001717241830 1421210467 /nfs/dbraw/zinc/21/04/67/1421210467.db2.gz AVAWIDHXMQNJLZ-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001717297977 1421241316 /nfs/dbraw/zinc/24/13/16/1421241316.db2.gz QJMISNSEKQEXFY-MJRGOJFPSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC1(C)C ZINC001717311908 1421256573 /nfs/dbraw/zinc/25/65/73/1421256573.db2.gz LHDAZORLZXHAII-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001717369561 1421307155 /nfs/dbraw/zinc/30/71/55/1421307155.db2.gz OBMOFQHBIAVSTH-SFHVURJKSA-N 2 0 340.471 3.145 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733296078 1429478734 /nfs/dbraw/zinc/47/87/34/1429478734.db2.gz PDOAEOQMSFAZDU-HRSGFYEVSA-N 2 0 347.547 3.142 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC1(C[NH2+]CC2CC2)CCCCC1 ZINC001717527945 1421463814 /nfs/dbraw/zinc/46/38/14/1421463814.db2.gz HUETWNWWUYJOES-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CC[C@H](C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001717552497 1421489901 /nfs/dbraw/zinc/48/99/01/1421489901.db2.gz JMNKPAPIWVSEQA-HOTGVXAUSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[NH+]34)C2)C1 ZINC001717628634 1421537981 /nfs/dbraw/zinc/53/79/81/1421537981.db2.gz CFRPFJWAVITCEG-RBUKOAKNSA-N 2 0 347.547 3.118 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001717642313 1421546569 /nfs/dbraw/zinc/54/65/69/1421546569.db2.gz QBWCREJHGXMIBH-KZNAEPCWSA-N 2 0 343.515 3.025 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695333 1421569634 /nfs/dbraw/zinc/56/96/34/1421569634.db2.gz FOHRALSDRDFOEL-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001717702020 1421575417 /nfs/dbraw/zinc/57/54/17/1421575417.db2.gz QENTXECRVURPHY-GOSISDBHSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717705164 1421579602 /nfs/dbraw/zinc/57/96/02/1421579602.db2.gz ILVUICAZQLMIFP-MJGOQNOKSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717705163 1421579691 /nfs/dbraw/zinc/57/96/91/1421579691.db2.gz ILVUICAZQLMIFP-IEBWSBKVSA-N 2 0 337.552 3.076 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717740894 1421604357 /nfs/dbraw/zinc/60/43/57/1421604357.db2.gz IFZWAVUQZFATJY-KXBFYZLASA-N 2 0 343.531 3.072 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001717795064 1421626494 /nfs/dbraw/zinc/62/64/94/1421626494.db2.gz DBNYQIUUMGWGAX-HMTUNPETSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001717795066 1421626513 /nfs/dbraw/zinc/62/65/13/1421626513.db2.gz DBNYQIUUMGWGAX-OXUXSNCKSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717825602 1421640064 /nfs/dbraw/zinc/64/00/64/1421640064.db2.gz IAZVQTSSBHMFTE-LPHOPBHVSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001717837352 1421650894 /nfs/dbraw/zinc/65/08/94/1421650894.db2.gz MZWCICRESSBCLT-CMKODMSKSA-N 2 0 335.536 3.164 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001717838583 1421652068 /nfs/dbraw/zinc/65/20/68/1421652068.db2.gz VASBCSPLQPIDLM-SFHLNBCPSA-N 2 0 347.547 3.164 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCC1)CC2 ZINC001717838584 1421652402 /nfs/dbraw/zinc/65/24/02/1421652402.db2.gz VASBCSPLQPIDLM-SVFBPWRDSA-N 2 0 347.547 3.164 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001717840818 1421655603 /nfs/dbraw/zinc/65/56/03/1421655603.db2.gz LIMOPABAKDNCKS-ZIFCJYIRSA-N 2 0 349.544 3.010 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001717952260 1421723178 /nfs/dbraw/zinc/72/31/78/1421723178.db2.gz FMMAKHWJQLKWDV-IBGZPJMESA-N 2 0 349.563 3.077 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCCC1)C(C)(C)C ZINC001717956055 1421727791 /nfs/dbraw/zinc/72/77/91/1421727791.db2.gz QKFQJIAVSRKDJL-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001717962665 1421734068 /nfs/dbraw/zinc/73/40/68/1421734068.db2.gz KFQCNRJHMDHKCZ-SJORKVTESA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717966141 1421738105 /nfs/dbraw/zinc/73/81/05/1421738105.db2.gz CYFMQDSHKPNUQH-LJQANCHMSA-N 2 0 347.547 3.382 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001717969616 1421741429 /nfs/dbraw/zinc/74/14/29/1421741429.db2.gz YTZRXRBHTHVJBV-MSOLQXFVSA-N 2 0 337.552 3.170 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001733350403 1429531260 /nfs/dbraw/zinc/53/12/60/1429531260.db2.gz QPYBEPOKMNTXJO-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001733356571 1429537613 /nfs/dbraw/zinc/53/76/13/1429537613.db2.gz KVBHKHIUCMLNSM-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733432990 1429640231 /nfs/dbraw/zinc/64/02/31/1429640231.db2.gz MPECBCMMVQVOPQ-FQEVSTJZSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001733463142 1429691699 /nfs/dbraw/zinc/69/16/99/1429691699.db2.gz PCXAILKCYOQGDE-RTWAWAEBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)(C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001722939601 1424266857 /nfs/dbraw/zinc/26/68/57/1424266857.db2.gz NCXXUQXEIYKOKH-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001722951186 1424273608 /nfs/dbraw/zinc/27/36/08/1424273608.db2.gz BLOWABWJWJMSPN-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCCC2)CC1)c1ccccc1 ZINC001723595922 1424482633 /nfs/dbraw/zinc/48/26/33/1424482633.db2.gz SBUQTQGAXOTBET-GOSISDBHSA-N 2 0 343.515 3.252 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723608340 1424488979 /nfs/dbraw/zinc/48/89/79/1424488979.db2.gz QFFUIDNSUVCQCM-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001723861539 1424590057 /nfs/dbraw/zinc/59/00/57/1424590057.db2.gz PWOPRBRLWXCNOU-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C2CCCC2)C1 ZINC001724109155 1424669297 /nfs/dbraw/zinc/66/92/97/1424669297.db2.gz JYVYGYUAZWJMSL-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724173239 1424707559 /nfs/dbraw/zinc/70/75/59/1424707559.db2.gz KDKPHQPXVWCHDI-XTXLJPNXSA-N 2 0 337.552 3.291 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001724340771 1424833888 /nfs/dbraw/zinc/83/38/88/1424833888.db2.gz NUSNLMRUOIPZKO-UYAOXDASSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001733562826 1429760644 /nfs/dbraw/zinc/76/06/44/1429760644.db2.gz BOGVJOVQSAJAKD-HAGHYFMRSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001724742533 1425110256 /nfs/dbraw/zinc/11/02/56/1425110256.db2.gz AYQGVKIUHXYRST-HKUYNNGSSA-N 2 0 345.531 3.341 10 0 EGAERP CCCCC[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001724777794 1425142966 /nfs/dbraw/zinc/14/29/66/1425142966.db2.gz VGBVSBUGIFRVNS-FQEVSTJZSA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC001724842733 1425192808 /nfs/dbraw/zinc/19/28/08/1425192808.db2.gz IYWZBKDPAINPOV-ACBHZAAOSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001724849567 1425210893 /nfs/dbraw/zinc/21/08/93/1425210893.db2.gz VMDBEHZAZXTJAS-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1ccccc1C[NH2+]C1(CC)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001724887069 1425271843 /nfs/dbraw/zinc/27/18/43/1425271843.db2.gz PKJDZXVJMPLIRR-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001724898509 1425292422 /nfs/dbraw/zinc/29/24/22/1425292422.db2.gz MYHCWYZHBKQCSC-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001724902648 1425297106 /nfs/dbraw/zinc/29/71/06/1425297106.db2.gz XRHZXFAQGQBUFC-NRFANRHFSA-N 2 0 349.563 3.367 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001724966063 1425357707 /nfs/dbraw/zinc/35/77/07/1425357707.db2.gz LKQWZICGMQDXCV-DKFQHHCZSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001724970028 1425367727 /nfs/dbraw/zinc/36/77/27/1425367727.db2.gz KIIXUMBGWXCFDW-MJRGOJFPSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001725074472 1425515333 /nfs/dbraw/zinc/51/53/33/1425515333.db2.gz MGJUAQPOHARUJM-UHFFFAOYSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001725116041 1425574780 /nfs/dbraw/zinc/57/47/80/1425574780.db2.gz UCIGKERPZKYLBV-IRXDYDNUSA-N 2 0 345.531 3.425 10 0 EGAERP Cc1cc(C)c(C[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)c(C)c1 ZINC001725147647 1425630283 /nfs/dbraw/zinc/63/02/83/1425630283.db2.gz YOPFYZZVNRWSPA-UHFFFAOYSA-N 2 0 347.547 3.138 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725172343 1425682831 /nfs/dbraw/zinc/68/28/31/1425682831.db2.gz LBJNFERCKPTTNT-QZTJIDSGSA-N 2 0 345.531 3.367 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)CC2CCCCC2)C1 ZINC001725180886 1425705145 /nfs/dbraw/zinc/70/51/45/1425705145.db2.gz VKVQDQVCHTVLRJ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CCCCC[C@@H]2CNC(=O)CC[NH+](C)C)c1 ZINC001725238016 1425830713 /nfs/dbraw/zinc/83/07/13/1425830713.db2.gz BDPUJDOLCFJHIB-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC1(C)C[N@H+](CCCC2CCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001725299824 1425948916 /nfs/dbraw/zinc/94/89/16/1425948916.db2.gz SHBAAEKTDLTINK-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001725506270 1426189661 /nfs/dbraw/zinc/18/96/61/1426189661.db2.gz TUUUMMWEQCMIJW-AOIWGVFYSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001725664217 1426346622 /nfs/dbraw/zinc/34/66/22/1426346622.db2.gz PUCKJIMYUHXUPW-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001725666425 1426349134 /nfs/dbraw/zinc/34/91/34/1426349134.db2.gz QRHWDRPBZGXUTR-OOFWQKGWSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680143 1426368178 /nfs/dbraw/zinc/36/81/78/1426368178.db2.gz MLRPUFSBOLIWIJ-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CCCC3CCC3)CC2)CC1)[NH+](C)C ZINC001725794209 1426479610 /nfs/dbraw/zinc/47/96/10/1426479610.db2.gz KACVDNMQDHGYNX-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725825607 1426501527 /nfs/dbraw/zinc/50/15/27/1426501527.db2.gz HCTVYMYGRKXIQV-SFHVURJKSA-N 2 0 349.563 3.149 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001731298715 1427240969 /nfs/dbraw/zinc/24/09/69/1427240969.db2.gz YTRYLXZMYJVWNC-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731318045 1427258876 /nfs/dbraw/zinc/25/88/76/1427258876.db2.gz XJKZRQMGCVIDER-DLBZAZTESA-N 2 0 349.494 3.057 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ccc(C)cc1 ZINC001731324053 1427263838 /nfs/dbraw/zinc/26/38/38/1427263838.db2.gz OXFMWMBZEZTDEB-KDURUIRLSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001731352723 1427292061 /nfs/dbraw/zinc/29/20/61/1427292061.db2.gz SXURGJDPNOCSSJ-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731423806 1427403394 /nfs/dbraw/zinc/40/33/94/1427403394.db2.gz CCCOXMXQOQMWSE-MOPGFXCFSA-N 2 0 339.568 3.179 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001731517846 1427505348 /nfs/dbraw/zinc/50/53/48/1427505348.db2.gz FEMBKHQNGVNBHY-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001731531008 1427521495 /nfs/dbraw/zinc/52/14/95/1427521495.db2.gz NJHITDUAFXKPSX-NQIIRXRSSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560010 1427593586 /nfs/dbraw/zinc/59/35/86/1427593586.db2.gz UKGHBBLIQBGVRU-XSXCZSQGSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001731572405 1427613823 /nfs/dbraw/zinc/61/38/23/1427613823.db2.gz YXCXQSGORUODPP-WWDZGPRUSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001731572556 1427614613 /nfs/dbraw/zinc/61/46/13/1427614613.db2.gz BHWNHASNGZVGNL-KKXNLOMOSA-N 2 0 345.531 3.497 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731616511 1427663955 /nfs/dbraw/zinc/66/39/55/1427663955.db2.gz MXUAPWLFOKKBFM-JSDWAPGTSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001731628457 1427679303 /nfs/dbraw/zinc/67/93/03/1427679303.db2.gz KTZTWXBKNRUOGL-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCCC2)CC[N@@H+]1C ZINC001731753543 1427851608 /nfs/dbraw/zinc/85/16/08/1427851608.db2.gz DIKBVJGFLUAZEJ-IHPCNDPISA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001731833208 1428046015 /nfs/dbraw/zinc/04/60/15/1428046015.db2.gz KOUPCJIACHSAAI-LJQANCHMSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001731850181 1428077845 /nfs/dbraw/zinc/07/78/45/1428077845.db2.gz LMPWZLDUWQGGGK-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001731859431 1428097763 /nfs/dbraw/zinc/09/77/63/1428097763.db2.gz DZTCUWNJNFZHOJ-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001731884593 1428158561 /nfs/dbraw/zinc/15/85/61/1428158561.db2.gz YPFJJRRODHTKRS-GOSISDBHSA-N 2 0 345.531 3.285 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001731972969 1428189582 /nfs/dbraw/zinc/18/95/82/1428189582.db2.gz IVKHBLPLWANMPT-HXUWFJFHSA-N 2 0 343.515 3.228 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001733607745 1429824309 /nfs/dbraw/zinc/82/43/09/1429824309.db2.gz VPLBGQLJYDOJJQ-MOPGFXCFSA-N 2 0 347.547 3.260 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001733607747 1429824529 /nfs/dbraw/zinc/82/45/29/1429824529.db2.gz VPLBGQLJYDOJJQ-RBUKOAKNSA-N 2 0 347.547 3.260 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677609 1429875781 /nfs/dbraw/zinc/87/57/81/1429875781.db2.gz RYOBAASKQVKMTE-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001733682126 1429893773 /nfs/dbraw/zinc/89/37/73/1429893773.db2.gz DCDBEZSHIVTYGJ-UTKZUKDTSA-N 2 0 343.515 3.095 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001733684908 1429900232 /nfs/dbraw/zinc/90/02/32/1429900232.db2.gz QMMPVHNEVNIWLT-MSOLQXFVSA-N 2 0 345.531 3.341 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001733759958 1429974827 /nfs/dbraw/zinc/97/48/27/1429974827.db2.gz IQKQPHKYHRXYQJ-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001733778334 1430031453 /nfs/dbraw/zinc/03/14/53/1430031453.db2.gz BYMAXGMGRMOQLT-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733803459 1430071231 /nfs/dbraw/zinc/07/12/31/1430071231.db2.gz XYYKRLLIOPGVPW-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733870323 1437696694 /nfs/dbraw/zinc/69/66/94/1437696694.db2.gz UQRJFPICCJINRJ-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001733897906 1437715545 /nfs/dbraw/zinc/71/55/45/1437715545.db2.gz FNOLGSGKQHITGQ-DOTOQJQBSA-N 2 0 335.536 3.019 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CC(CC)CC ZINC001733928740 1437741620 /nfs/dbraw/zinc/74/16/20/1437741620.db2.gz KYBYGHIFBIUJAS-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733929798 1437743113 /nfs/dbraw/zinc/74/31/13/1437743113.db2.gz KBQHCWKVVOOBQY-RJCMGOLDSA-N 2 0 335.536 3.138 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCC2CCCC2)CC[N@@H+]1C ZINC001733932169 1437745177 /nfs/dbraw/zinc/74/51/77/1437745177.db2.gz FBFAJEDCXGDDLV-IHPCNDPISA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1 ZINC001733959979 1437766112 /nfs/dbraw/zinc/76/61/12/1437766112.db2.gz LTXHIQCWKJHOGF-ABHNRTSZSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(F)c1 ZINC001734057438 1437849301 /nfs/dbraw/zinc/84/93/01/1437849301.db2.gz GPHLZMLTUMRZEM-VQIMIIECSA-N 2 0 349.494 3.025 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001734088887 1437873822 /nfs/dbraw/zinc/87/38/22/1437873822.db2.gz ZVAXPVOJFSYXGO-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734106809 1437893625 /nfs/dbraw/zinc/89/36/25/1437893625.db2.gz TVDMTWRVRLVEOY-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734117133 1437899257 /nfs/dbraw/zinc/89/92/57/1437899257.db2.gz MPRQSJXTMAWGFY-XQDXJYKWSA-N 2 0 347.547 3.186 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001734130106 1437906881 /nfs/dbraw/zinc/90/68/81/1437906881.db2.gz IDYSWOHNRHSJET-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001734131964 1437907839 /nfs/dbraw/zinc/90/78/39/1437907839.db2.gz YZTCIUBYNQJGPE-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@@H+]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C(C)(C)C1 ZINC001734155450 1437922356 /nfs/dbraw/zinc/92/23/56/1437922356.db2.gz XZBNXVQBQQZXTR-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CCCC2(CN(C(=O)CC[NH+](C)C)C2)C1 ZINC001734197260 1437938460 /nfs/dbraw/zinc/93/84/60/1437938460.db2.gz OLKHWKCRHGSHQA-LJQANCHMSA-N 2 0 343.515 3.014 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481874 1438127308 /nfs/dbraw/zinc/12/73/08/1438127308.db2.gz MSVDVWMUJAUHLV-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481878 1438127387 /nfs/dbraw/zinc/12/73/87/1438127387.db2.gz MSVDVWMUJAUHLV-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001734489849 1438130190 /nfs/dbraw/zinc/13/01/90/1438130190.db2.gz XVQNCBSEKBTPMQ-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)[C@@H]2CCC[N@H+]2C)C(C)(C)C)c(C)c1 ZINC001734556116 1438155101 /nfs/dbraw/zinc/15/51/01/1438155101.db2.gz OKCKDMDMTBOIMU-OALUTQOASA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001734571446 1438165468 /nfs/dbraw/zinc/16/54/68/1438165468.db2.gz URAZKXNDNOILEV-ZWKOTPCHSA-N 2 0 337.552 3.312 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1)[NH+](CC)CC ZINC001734588032 1438177959 /nfs/dbraw/zinc/17/79/59/1438177959.db2.gz ZYJGKGLLZBZQPW-LPHOPBHVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001734637142 1438196934 /nfs/dbraw/zinc/19/69/34/1438196934.db2.gz NSDIVPUNETXGBM-RTBURBONSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001750929054 1440112347 /nfs/dbraw/zinc/11/23/47/1440112347.db2.gz YYUTXZFHOQFDMB-NBDWZHNGSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC/C=C\c2ccccc2)[C@@H]1C ZINC001750930350 1440112794 /nfs/dbraw/zinc/11/27/94/1440112794.db2.gz HGSJVAZEVVHIAV-OFCQAKPVSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530120 168368767 /nfs/dbraw/zinc/36/87/67/168368767.db2.gz ISIQGYPORBNCQG-RMVXJAJNSA-N 2 0 329.532 3.217 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@@H]1OCCc2ccccc21 ZINC000346149067 282250639 /nfs/dbraw/zinc/25/06/39/282250639.db2.gz LLVICJPSEAKSPA-NRFANRHFSA-N 2 0 348.450 3.322 10 0 EGAERP CSc1ccc(C[N@@H+]2CCC[C@H](N(C)CCC[NH+](C)C)C2)cc1 ZINC000020452550 212130657 /nfs/dbraw/zinc/13/06/57/212130657.db2.gz XJQOETQNECQBSF-SFHVURJKSA-N 2 0 335.561 3.256 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCn1nc(-c2ccc(F)cc2)c2c1CC[NH+](C)C2 ZINC000078685970 217102849 /nfs/dbraw/zinc/10/28/49/217102849.db2.gz POIDXPFRSRGYLE-QGZVFWFLSA-N 2 0 342.462 3.161 10 0 EGAERP C[C@@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000266000034 248013606 /nfs/dbraw/zinc/01/36/06/248013606.db2.gz OYEQXHXHHGWHHU-YLJYHZDGSA-N 2 0 343.515 3.227 10 0 EGAERP c1nc2c([nH]1)C[C@H]([NH2+]Cc1ccccc1OCc1ccccn1)CC2 ZINC000377722616 169068583 /nfs/dbraw/zinc/06/85/83/169068583.db2.gz MGPYWYFXFZYHSA-MRXNPFEDSA-N 2 0 334.423 3.031 10 0 EGAERP COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268811168 252263206 /nfs/dbraw/zinc/26/32/06/252263206.db2.gz AZNAUHMMDYTCHK-LJQANCHMSA-N 2 0 334.479 3.380 10 0 EGAERP CCn1cc(C[N@@H+]2CCCN(c3cc[nH+]c4ccccc43)CC2)cn1 ZINC000112695495 220376240 /nfs/dbraw/zinc/37/62/40/220376240.db2.gz ITMOFBJLQKQZRQ-UHFFFAOYSA-N 2 0 335.455 3.164 10 0 EGAERP Cn1cc([C@H]2OCCC[C@@H]2[NH2+]C2CC[NH+](C3CCCCC3)CC2)cn1 ZINC000328629855 258029350 /nfs/dbraw/zinc/02/93/50/258029350.db2.gz ISLFLRMCJROXRA-VQTJNVASSA-N 2 0 346.519 3.027 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000179515913 533665245 /nfs/dbraw/zinc/66/52/45/533665245.db2.gz DEZMFJLHXINRJZ-CYBMUJFWSA-N 2 0 328.859 3.004 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCC(=O)OC(C)(C)C ZINC000352962574 141278911 /nfs/dbraw/zinc/27/89/11/141278911.db2.gz DCQWLMFRWQXSFU-AEFFLSMTSA-N 2 0 332.488 3.218 10 0 EGAERP Cn1ccnc1[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)c1cccc(F)c1 ZINC000353451554 141298891 /nfs/dbraw/zinc/29/88/91/141298891.db2.gz ALUZAQKJNQBTNJ-ABHNRTSZSA-N 2 0 330.451 3.111 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)CCc2ccccc2)CC1 ZINC000361521202 141444057 /nfs/dbraw/zinc/44/40/57/141444057.db2.gz ZLTQUQMMMGNBNI-QGZVFWFLSA-N 2 0 325.456 3.234 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@H](C2CCCCC2)C1 ZINC000351607381 144287647 /nfs/dbraw/zinc/28/76/47/144287647.db2.gz WRFUBYQJUIKGPY-FQEVSTJZSA-N 2 0 340.471 3.357 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@]2(C1)OCc1ccccc12 ZINC000351874252 144319064 /nfs/dbraw/zinc/31/90/64/144319064.db2.gz CNICMEJYDLDSDX-NRFANRHFSA-N 2 0 346.434 3.207 10 0 EGAERP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@@H]1CC[C@H](C)C1 ZINC000361643921 144341588 /nfs/dbraw/zinc/34/15/88/144341588.db2.gz NWQOBJJEDFXRDT-HNAYVOBHSA-N 2 0 328.460 3.213 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](Cc2ccco2)C2CCCC2)CC1 ZINC000191454303 153197660 /nfs/dbraw/zinc/19/76/60/153197660.db2.gz JDJHJJUICYXORF-UHFFFAOYSA-N 2 0 333.520 3.440 10 0 EGAERP CC(=O)c1ccccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000193858719 153309876 /nfs/dbraw/zinc/30/98/76/153309876.db2.gz BYUVUPOSWQNJAI-UHFFFAOYSA-N 2 0 330.472 3.076 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194737362 153355615 /nfs/dbraw/zinc/35/56/15/153355615.db2.gz NWPGACGICVWTBF-MSOLQXFVSA-N 2 0 343.515 3.060 10 0 EGAERP CCOC(=O)[C@@H](CC(C)C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337486061 154377433 /nfs/dbraw/zinc/37/74/33/154377433.db2.gz IEKMUGMAGPJOOB-FUHWJXTLSA-N 2 0 347.503 3.377 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)cc1)C(C)C ZINC000347008847 156245849 /nfs/dbraw/zinc/24/58/49/156245849.db2.gz JIOXGNZZMWJQGT-FQEVSTJZSA-N 2 0 343.515 3.226 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352633393 156390599 /nfs/dbraw/zinc/39/05/99/156390599.db2.gz NPVPXKNNULLOKV-UHFFFAOYSA-N 2 0 326.488 3.299 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCC[C@H]1C1CC1 ZINC000344001146 164080162 /nfs/dbraw/zinc/08/01/62/164080162.db2.gz WRPUMRIIOIXBSS-RBUKOAKNSA-N 2 0 331.504 3.471 10 0 EGAERP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347241878 164465857 /nfs/dbraw/zinc/46/58/57/164465857.db2.gz XODDIPMEHYWETF-QRQLOZEOSA-N 2 0 345.531 3.225 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc3ccccc3[nH]c2=O)CC1 ZINC000350183705 165017757 /nfs/dbraw/zinc/01/77/57/165017757.db2.gz ISRZNYORZMQRAK-UHFFFAOYSA-N 2 0 327.472 3.494 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](C)Cc2ccccc2)CC1 ZINC000355649615 166271924 /nfs/dbraw/zinc/27/19/24/166271924.db2.gz LRGUZRICEWGRFS-QGZVFWFLSA-N 2 0 325.456 3.091 10 0 EGAERP CCn1nccc1CC[N@H+](C)[C@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000364955382 168005547 /nfs/dbraw/zinc/00/55/47/168005547.db2.gz NTMMJSPCDWRGAY-RXVVDRJESA-N 2 0 340.515 3.430 10 0 EGAERP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367597282 168247175 /nfs/dbraw/zinc/24/71/75/168247175.db2.gz BJSYUAVMNPSXKH-ARFHVFGLSA-N 2 0 340.414 3.259 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H]2CCC[C@@H]21 ZINC000367619848 168250063 /nfs/dbraw/zinc/25/00/63/168250063.db2.gz XFFRZKNDZBGXST-HKBOAZHASA-N 3 0 327.516 3.245 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000367914920 168283773 /nfs/dbraw/zinc/28/37/73/168283773.db2.gz BHWNLALDXMAUTB-NRFANRHFSA-N 2 0 343.515 3.192 10 0 EGAERP CCOC(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000276516465 267565335 /nfs/dbraw/zinc/56/53/35/267565335.db2.gz LNGVRJNFZTZRLV-PKOBYXMFSA-N 2 0 334.504 3.276 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000278452137 268015737 /nfs/dbraw/zinc/01/57/37/268015737.db2.gz LPQMBZWPXBBFSD-ORYQWCPZSA-N 2 0 342.458 3.359 10 0 EGAERP C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000278743050 275270746 /nfs/dbraw/zinc/27/07/46/275270746.db2.gz JSQOTFXACSHLIX-QGZVFWFLSA-N 2 0 346.515 3.220 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3cnccc3C)CC2)cc1 ZINC000280786484 275495613 /nfs/dbraw/zinc/49/56/13/275495613.db2.gz GBRVYMRIZFNGQY-UHFFFAOYSA-N 2 0 339.483 3.400 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282988837 275689273 /nfs/dbraw/zinc/68/92/73/275689273.db2.gz FJFIEGUKZQFGTA-NVYAHWSDSA-N 2 0 328.500 3.146 10 0 EGAERP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000305771100 276022513 /nfs/dbraw/zinc/02/25/13/276022513.db2.gz KALPVBRJDPQIMD-ZCNNSNEGSA-N 2 0 331.504 3.136 10 0 EGAERP CC[NH+](CC)CCOc1ccc(NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC000291482040 276649802 /nfs/dbraw/zinc/64/98/02/276649802.db2.gz MYVASWAYZUGCDC-UHFFFAOYSA-N 2 0 347.503 3.078 10 0 EGAERP c1nnn(Cc2ccccc2)c1C[NH2+]CCCCC[NH+]1CCCCC1 ZINC000291911429 276707185 /nfs/dbraw/zinc/70/71/85/276707185.db2.gz KDYRAGUZEBZPQH-UHFFFAOYSA-N 2 0 341.503 3.072 10 0 EGAERP CN1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000340289020 290217322 /nfs/dbraw/zinc/21/73/22/290217322.db2.gz UBGJVXPZDVPDMW-OALUTQOASA-N 2 0 337.458 3.176 10 0 EGAERP Cc1ccccc1[C@@H]([NH2+][C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000180495750 302137048 /nfs/dbraw/zinc/13/70/48/302137048.db2.gz POJVQZOGIZDNIA-KNQAVFIVSA-N 2 0 337.511 3.310 10 0 EGAERP Cc1c[nH+]ccc1N1CCC[N@@H+](C2CC(C)(C)[NH2+]C(C)(C)C2)CC1 ZINC000067674414 302386756 /nfs/dbraw/zinc/38/67/56/302386756.db2.gz RCZMZUXJXYTPRG-UHFFFAOYSA-N 3 0 330.520 3.211 10 0 EGAERP Cc1cc(C[NH2+]CCCC[NH+]2CCOCC2)ccc1C(F)(F)F ZINC000414282872 309070479 /nfs/dbraw/zinc/07/04/79/309070479.db2.gz IGQXXTMMIRZARP-UHFFFAOYSA-N 2 0 330.394 3.216 10 0 EGAERP Cc1cncc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000414314294 309072387 /nfs/dbraw/zinc/07/23/87/309072387.db2.gz ZPCACENUBAVLFD-SFHVURJKSA-N 2 0 339.483 3.068 10 0 EGAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000414327082 309073200 /nfs/dbraw/zinc/07/32/00/309073200.db2.gz BETJWCVHCUTJAB-QMCAAQAGSA-N 2 0 342.527 3.428 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C\c2ccc(Cl)cc2)CC1 ZINC000254952632 308035317 /nfs/dbraw/zinc/03/53/17/308035317.db2.gz WIFGPXDORMBWJM-QGZUEGPWSA-N 2 0 336.907 3.378 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000293716085 308155534 /nfs/dbraw/zinc/15/55/34/308155534.db2.gz MFJICLMHCSFBFH-JKSUJKDBSA-N 2 0 329.463 3.265 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000293792302 308162280 /nfs/dbraw/zinc/16/22/80/308162280.db2.gz QQVAOHHFECLEDZ-JKSUJKDBSA-N 2 0 329.463 3.265 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295871998 308369529 /nfs/dbraw/zinc/36/95/29/308369529.db2.gz GGOWZQSDIQEKJP-FWZVCBSNSA-N 2 0 327.516 3.112 10 0 EGAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC(C)C)c2cccs2)CC1 ZINC000411511205 308942034 /nfs/dbraw/zinc/94/20/34/308942034.db2.gz IFIGPRGWGMZAPH-INIZCTEOSA-N 2 0 337.533 3.025 10 0 EGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000414884164 309107189 /nfs/dbraw/zinc/10/71/89/309107189.db2.gz USRXQGHQDLWODW-RXVVDRJESA-N 2 0 344.547 3.194 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OCc1cccs1 ZINC000414947529 309110656 /nfs/dbraw/zinc/11/06/56/309110656.db2.gz WLFFNOCPRZVKNN-PBHICJAKSA-N 2 0 346.496 3.423 10 0 EGAERP C[C@@H](CCC[NH3+])[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000415016868 309114618 /nfs/dbraw/zinc/11/46/18/309114618.db2.gz DJHGDTUGQSSEGO-HNNXBMFYSA-N 2 0 327.476 3.277 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC1CC[NH+](CC2CCCC2)CC1 ZINC000415894863 309146603 /nfs/dbraw/zinc/14/66/03/309146603.db2.gz ABQGMGYWGULANU-UHFFFAOYSA-N 2 0 344.503 3.182 10 0 EGAERP COc1cc(F)c([C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422727140 309365231 /nfs/dbraw/zinc/36/52/31/309365231.db2.gz GWXNCGSZTKJVFF-WCQYABFASA-N 2 0 347.434 3.417 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422753837 309366626 /nfs/dbraw/zinc/36/66/26/309366626.db2.gz FERRIGFIZCBKMA-CEXWTWQISA-N 2 0 332.488 3.147 10 0 EGAERP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422794387 309368666 /nfs/dbraw/zinc/36/86/66/309368666.db2.gz UGAOULMTBKFFNZ-IPHXSNPTSA-N 2 0 340.467 3.204 10 0 EGAERP Fc1cc(F)cc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839654 309371262 /nfs/dbraw/zinc/37/12/62/309371262.db2.gz ABIVLOGECFKAFM-AZUAARDMSA-N 2 0 344.405 3.353 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422846811 309371855 /nfs/dbraw/zinc/37/18/55/309371855.db2.gz QHJBYMVFGRBOQA-CQSZACIVSA-N 2 0 326.431 3.120 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2C[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422866346 309372742 /nfs/dbraw/zinc/37/27/42/309372742.db2.gz QEPMNUONYOSAOO-YQVWRLOYSA-N 2 0 332.488 3.017 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000422880272 309373741 /nfs/dbraw/zinc/37/37/41/309373741.db2.gz WPTKIARWPZPDEN-OWCLPIDISA-N 2 0 336.911 3.214 10 0 EGAERP Cc1nc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887563 309374348 /nfs/dbraw/zinc/37/43/48/309374348.db2.gz BGJWQZWXRZZGBN-LPHOPBHVSA-N 2 0 343.496 3.148 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCc1nc2c(s1)CCCC2 ZINC000422902090 309375168 /nfs/dbraw/zinc/37/51/68/309375168.db2.gz CWYXUMZLGZOQRH-CYBMUJFWSA-N 2 0 344.528 3.467 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@@H]2CCCN(Cc3c(F)cccc3F)C2)CC1 ZINC000422912852 309375841 /nfs/dbraw/zinc/37/58/41/309375841.db2.gz XBEBIGIQSRDICS-UYSNPLJNSA-N 2 0 337.458 3.036 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422915523 309375940 /nfs/dbraw/zinc/37/59/40/309375940.db2.gz BFBLLYLRNBFSIJ-KGLIPLIRSA-N 2 0 343.471 3.148 10 0 EGAERP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)c1Cl ZINC000422930012 309376540 /nfs/dbraw/zinc/37/65/40/309376540.db2.gz ASHGWUMUXMAQMP-NUEKZKHPSA-N 2 0 343.298 3.283 10 0 EGAERP COc1ccc(Br)c(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC000422931495 309376713 /nfs/dbraw/zinc/37/67/13/309376713.db2.gz BXYGUCYLCNEHIY-UHFFFAOYSA-N 2 0 327.266 3.065 10 0 EGAERP Fc1ccc(OCC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934608 309376892 /nfs/dbraw/zinc/37/68/92/309376892.db2.gz GAYXVVAGOMSPEI-ICSRJNTNSA-N 2 0 342.414 3.050 10 0 EGAERP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422956026 309378008 /nfs/dbraw/zinc/37/80/08/309378008.db2.gz OEWCBSGSAAVYGR-VIPLHTEESA-N 2 0 331.504 3.238 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+]C[C@H](CO)Cc1ccc(C(F)(F)F)cc1 ZINC000422995715 309380020 /nfs/dbraw/zinc/38/00/20/309380020.db2.gz YWAUFWGZMQFTCO-OIISXLGYSA-N 2 0 344.421 3.106 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]CC(C)(C)C2=CCCCC2)CC[NH2+]CC1 ZINC000423051497 309383175 /nfs/dbraw/zinc/38/31/75/309383175.db2.gz NNDBRUQLORMOTK-INIZCTEOSA-N 2 0 336.520 3.424 10 0 EGAERP COc1cccc([C@H]2C[C@H]([NH2+][C@H](C)c3ccc(C[NH3+])nc3C)C2)c1 ZINC000423153510 309388571 /nfs/dbraw/zinc/38/85/71/309388571.db2.gz HMDAIBUWKHMTRF-QGPMSJSTSA-N 2 0 325.456 3.454 10 0 EGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCCNCc2cccnc2)cc1 ZINC000423183983 309389434 /nfs/dbraw/zinc/38/94/34/309389434.db2.gz HDLPUUPOVZOWJS-KRWDZBQOSA-N 3 0 349.482 3.406 10 0 EGAERP COc1ccc([C@H](NCCC[NH3+])c2ccccc2Cl)cc1OC ZINC000423184282 309389586 /nfs/dbraw/zinc/38/95/86/309389586.db2.gz IDVYTYIHMXUIDF-SFHVURJKSA-N 2 0 334.847 3.385 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423244945 309392159 /nfs/dbraw/zinc/39/21/59/309392159.db2.gz ICAZUGMLZADSDZ-WFASDCNBSA-N 2 0 339.277 3.252 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255038 309392560 /nfs/dbraw/zinc/39/25/60/309392560.db2.gz ANFHLCQRHPGEOG-DZGCQCFKSA-N 2 0 347.894 3.269 10 0 EGAERP CC1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]CC1 ZINC000423323579 309395077 /nfs/dbraw/zinc/39/50/77/309395077.db2.gz IDRKEYMIDPTNCE-OAHLLOKOSA-N 2 0 327.394 3.457 10 0 EGAERP C[C@@]1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CCC[NH2+]C1 ZINC000423325414 309395175 /nfs/dbraw/zinc/39/51/75/309395175.db2.gz BUVAEABYPHXNCF-JKSUJKDBSA-N 2 0 327.394 3.457 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CCC1=CC[NH2+]CC1 ZINC000423541098 309405637 /nfs/dbraw/zinc/40/56/37/309405637.db2.gz RHSIDFHIRDXNDE-HNNXBMFYSA-N 2 0 339.252 3.475 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423549064 309405988 /nfs/dbraw/zinc/40/59/88/309405988.db2.gz RRRXDBYBJWIQSX-NOSGZIGASA-N 2 0 339.405 3.456 10 0 EGAERP CC[N@H+](CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449114378 310038245 /nfs/dbraw/zinc/03/82/45/310038245.db2.gz ZJYQTAHSDCCVRS-SFHVURJKSA-N 2 0 329.532 3.156 10 0 EGAERP CC[C@H](C)[N@H+](C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449119436 310038467 /nfs/dbraw/zinc/03/84/67/310038467.db2.gz ZDUPNORMDYPTOG-OALUTQOASA-N 2 0 331.548 3.402 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449123664 310038846 /nfs/dbraw/zinc/03/88/46/310038846.db2.gz OCARZCSXHPNBHD-SZVBFZGTSA-N 2 0 335.923 3.202 10 0 EGAERP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449176589 310042327 /nfs/dbraw/zinc/04/23/27/310042327.db2.gz QJFBNCXZBMCBCZ-CMKODMSKSA-N 2 0 332.532 3.469 10 0 EGAERP CO[C@@H]1C[C@H]([NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449178280 310042553 /nfs/dbraw/zinc/04/25/53/310042553.db2.gz XLLZWXJCOGKTCB-LSTHTHJFSA-N 2 0 330.516 3.485 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCNc2ccccn2)CC1 ZINC000449223854 310045737 /nfs/dbraw/zinc/04/57/37/310045737.db2.gz KRCZZOXRAFSIHN-GOSISDBHSA-N 2 0 338.499 3.179 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CC[NH+](C)CC2)CC1 ZINC000449229957 310046183 /nfs/dbraw/zinc/04/61/83/310046183.db2.gz GHMVOUFIZURUFL-LJQANCHMSA-N 3 0 343.559 3.404 10 0 EGAERP CC(C)(O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453018282 310252947 /nfs/dbraw/zinc/25/29/47/310252947.db2.gz NXXOJCVPJVANEA-IBGZPJMESA-N 2 0 330.516 3.380 10 0 EGAERP CC(C)[C@H](Cn1cccn1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000453068530 310255859 /nfs/dbraw/zinc/25/58/59/310255859.db2.gz AMSFNEKEEPSQQE-FQEVSTJZSA-N 2 0 326.488 3.293 10 0 EGAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453105505 310258183 /nfs/dbraw/zinc/25/81/83/310258183.db2.gz HRBQIZFVUZWRFW-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453393578 310274716 /nfs/dbraw/zinc/27/47/16/310274716.db2.gz VGHLQSTZNJAYOB-WRTQPQOASA-N 2 0 328.500 3.180 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1NC(C)=O ZINC000453398552 310274799 /nfs/dbraw/zinc/27/47/99/310274799.db2.gz KPLNPWCKTBVDAJ-AWEZNQCLSA-N 2 0 333.476 3.179 10 0 EGAERP C[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+]1CCCCCC1 ZINC000468773257 310693536 /nfs/dbraw/zinc/69/35/36/310693536.db2.gz AUCWQIKZQNQEKO-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)C3CCCCC3)cn2)CC1 ZINC000474482291 310794595 /nfs/dbraw/zinc/79/45/95/310794595.db2.gz KHDRNDVAOUWYBC-QGZVFWFLSA-N 2 0 330.520 3.282 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@H]1CC1(C)C ZINC000487305170 311019760 /nfs/dbraw/zinc/01/97/60/311019760.db2.gz MJCLYWPATKPHEU-QFBILLFUSA-N 2 0 343.515 3.036 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000514100010 312225056 /nfs/dbraw/zinc/22/50/56/312225056.db2.gz SLYZNDFORUJPJP-AABGKKOBSA-N 2 0 342.531 3.424 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC(F)(F)C1 ZINC000529605099 313366656 /nfs/dbraw/zinc/36/66/56/313366656.db2.gz ANTFLQBGLGNVSW-HNNXBMFYSA-N 2 0 338.442 3.037 10 0 EGAERP CC(C)Oc1ccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530240385 313504306 /nfs/dbraw/zinc/50/43/06/313504306.db2.gz LIPLMRPMJJGAFQ-FQEVSTJZSA-N 2 0 332.488 3.064 10 0 EGAERP Cc1cc([C@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CC2)ccc1F ZINC000538113653 314226914 /nfs/dbraw/zinc/22/69/14/314226914.db2.gz XLFSIDLMRDANGD-HXUWFJFHSA-N 2 0 333.495 3.201 10 0 EGAERP C[C@H](CCc1ccccc1)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000539382619 314310108 /nfs/dbraw/zinc/31/01/08/314310108.db2.gz OBQBWIBNZSPOTF-IRLDBZIGSA-N 2 0 343.559 3.357 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000553405419 315262413 /nfs/dbraw/zinc/26/24/13/315262413.db2.gz NSJFTRHYVCPXKV-SFHVURJKSA-N 2 0 343.515 3.021 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000563618174 316047226 /nfs/dbraw/zinc/04/72/26/316047226.db2.gz OKYRAEOXIMPSRP-ABHNRTSZSA-N 2 0 334.504 3.012 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000564318744 316135694 /nfs/dbraw/zinc/13/56/94/316135694.db2.gz CRSHMEUBHQQCFZ-LNTUIOFPSA-N 2 0 338.293 3.402 10 0 EGAERP CN(c1ccccc1)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000565095871 316264883 /nfs/dbraw/zinc/26/48/83/316264883.db2.gz XYQOIIQCILNEOL-UHFFFAOYSA-N 2 0 335.495 3.433 10 0 EGAERP C[NH+](C)CCCC(C)(C)[NH2+]C[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000387374933 324271246 /nfs/dbraw/zinc/27/12/46/324271246.db2.gz XJEHTIVVYXRTMA-MRXNPFEDSA-N 2 0 341.540 3.344 10 0 EGAERP CCc1cccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000580335039 325237483 /nfs/dbraw/zinc/23/74/83/325237483.db2.gz COJJSVWIFUAOJW-UHFFFAOYSA-N 2 0 329.532 3.289 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581012016 325320854 /nfs/dbraw/zinc/32/08/54/325320854.db2.gz OILAZEOATOFCIJ-KSSFIOAISA-N 2 0 335.879 3.051 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)CC1(C)C ZINC000623495433 460581313 /nfs/dbraw/zinc/58/13/13/460581313.db2.gz BMLLEVMUBYZLPJ-AWEZNQCLSA-N 2 0 345.409 3.028 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000057847387 454152018 /nfs/dbraw/zinc/15/20/18/454152018.db2.gz ZBBBGCREOZWBPH-INIZCTEOSA-N 2 0 347.503 3.076 10 0 EGAERP CCC(C)(C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737364 454474618 /nfs/dbraw/zinc/47/46/18/454474618.db2.gz LGXHEOXFGDURQY-KRWDZBQOSA-N 2 0 345.531 3.455 10 0 EGAERP COC(=O)c1oc([C@@H](C)[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1C ZINC000122585166 454550811 /nfs/dbraw/zinc/55/08/11/454550811.db2.gz ITFVWEBUONDRLG-OAHLLOKOSA-N 2 0 334.460 3.243 10 0 EGAERP Cc1nccn1C[C@H]1CCC[N@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135127367 454635579 /nfs/dbraw/zinc/63/55/79/454635579.db2.gz RXPOZJCXJLTDHH-LJQANCHMSA-N 2 0 341.455 3.421 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)c1ccccc1)[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123609303 454657281 /nfs/dbraw/zinc/65/72/81/454657281.db2.gz DGNLURGSJCAYBP-ZWKOTPCHSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000105862653 454661340 /nfs/dbraw/zinc/66/13/40/454661340.db2.gz VAVINKLRMGCANR-KGLIPLIRSA-N 2 0 326.431 3.050 10 0 EGAERP C[N@H+](CCOC(C)(C)C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000106126935 454681492 /nfs/dbraw/zinc/68/14/92/454681492.db2.gz YHQQPXJKSIEKAH-HXUWFJFHSA-N 2 0 348.531 3.179 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124673300 454758915 /nfs/dbraw/zinc/75/89/15/454758915.db2.gz VXKLQJUBXHOUQO-NQIIRXRSSA-N 2 0 341.543 3.460 10 0 EGAERP CN(Cc1ccccc1)C[C@H](O)C[N@H+](C)CCCc1ccccc1 ZINC000109999255 454839929 /nfs/dbraw/zinc/83/99/29/454839929.db2.gz LNGRENYGEZFSAB-OAQYLSRUSA-N 2 0 326.484 3.044 10 0 EGAERP O=c1ccc2c([nH]1)CCC[C@@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000164007850 454871811 /nfs/dbraw/zinc/87/18/11/454871811.db2.gz VTWYFGVZDOFJSZ-SFHVURJKSA-N 2 0 329.488 3.139 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000246425163 455487879 /nfs/dbraw/zinc/48/78/79/455487879.db2.gz NLLVVLQIZOEYSY-HMXCVIKNSA-N 2 0 344.547 3.002 10 0 EGAERP Cc1ccc2ncc(C[NH2+]C3CCN(C(=O)c4ccccc4)CC3)n2c1 ZINC000178876295 454986929 /nfs/dbraw/zinc/98/69/29/454986929.db2.gz WDEJQLFLABCRJD-UHFFFAOYSA-N 2 0 348.450 3.037 10 0 EGAERP C[C@@H](CCc1ccc(Cl)s1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128253823 455039797 /nfs/dbraw/zinc/03/97/97/455039797.db2.gz FAWQVQQGKZRBEK-HNNXBMFYSA-N 2 0 343.968 3.340 10 0 EGAERP CC[N@H+](CCNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1)C1CC1 ZINC000180119176 455134437 /nfs/dbraw/zinc/13/44/37/455134437.db2.gz LESFYAJPXIHFPV-VCSGRIEYSA-N 2 0 327.516 3.256 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1cnc(C)n1-c1ccccc1 ZINC000180127039 455136408 /nfs/dbraw/zinc/13/64/08/455136408.db2.gz YBYKTDVBZBPHOM-IBGZPJMESA-N 2 0 335.455 3.350 10 0 EGAERP CC[C@H](C)NC(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245737192 455369259 /nfs/dbraw/zinc/36/92/59/455369259.db2.gz QZCCXLBFKXVQNT-FFGOWVMKSA-N 2 0 343.515 3.076 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@@H](C)C1 ZINC000245766212 455376521 /nfs/dbraw/zinc/37/65/21/455376521.db2.gz QVIQNLLEUNITGV-DZGCQCFKSA-N 2 0 342.430 3.459 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@H]2CCCO[C@H]21 ZINC000245853640 455385987 /nfs/dbraw/zinc/38/59/87/455385987.db2.gz GTSJDCRHYSFAQO-GUDVDZBRSA-N 2 0 329.488 3.091 10 0 EGAERP CC(C)N(Cc1ccccc1)C(=O)[C@@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246715713 455519202 /nfs/dbraw/zinc/51/92/02/455519202.db2.gz CXGHCEFGJYPJAN-QUCCMNQESA-N 2 0 345.531 3.086 10 0 EGAERP Cc1cccc(CCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000182604738 455551817 /nfs/dbraw/zinc/55/18/17/455551817.db2.gz BQNFQFROEMOVGV-CBQGHPETSA-N 2 0 341.543 3.170 10 0 EGAERP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247182551 455570410 /nfs/dbraw/zinc/57/04/10/455570410.db2.gz USYIKPPQSBMNSB-IFXJQAMLSA-N 2 0 340.458 3.441 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000247259482 455580198 /nfs/dbraw/zinc/58/01/98/455580198.db2.gz RMZBOLKZHSHBPB-WMLDXEAASA-N 2 0 335.879 3.085 10 0 EGAERP Cc1cc(-c2noc([C@@H](C)N3CC[C@@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245442 455607040 /nfs/dbraw/zinc/60/70/40/455607040.db2.gz XFFMZIATKDLWRR-AUUYWEPGSA-N 2 0 344.434 3.273 10 0 EGAERP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266948 455612680 /nfs/dbraw/zinc/61/26/80/455612680.db2.gz ZDDFSUYSJPJRNM-SCLBCKFNSA-N 2 0 346.862 3.479 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186249173 455724999 /nfs/dbraw/zinc/72/49/99/455724999.db2.gz ZRPIOKKTOQMMLN-OALUTQOASA-N 2 0 338.536 3.062 10 0 EGAERP C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000187367092 455902059 /nfs/dbraw/zinc/90/20/59/455902059.db2.gz DKJAZKFATLBYFP-AWEZNQCLSA-N 2 0 327.875 3.109 10 0 EGAERP C[C@H](c1ccccc1Cl)N1CCN(C(=O)C[C@@H]2CCC[C@H]2[NH3+])CC1 ZINC000261683460 455927243 /nfs/dbraw/zinc/92/72/43/455927243.db2.gz HEGHPJQMIKDEGZ-RVKKMQEKSA-N 2 0 349.906 3.063 10 0 EGAERP CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261917016 455971783 /nfs/dbraw/zinc/97/17/83/455971783.db2.gz XDTRXKMAYAWHDC-GGPKGHCWSA-N 2 0 343.515 3.060 10 0 EGAERP CC1CCN(C(=[NH2+])NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000262432357 456035255 /nfs/dbraw/zinc/03/52/55/456035255.db2.gz WRNHUTALBJVTSZ-UHFFFAOYSA-N 2 0 346.441 3.048 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000271077763 456119338 /nfs/dbraw/zinc/11/93/38/456119338.db2.gz XHRPBTZFNDQYTF-SFHVURJKSA-N 2 0 326.431 3.052 10 0 EGAERP C[C@@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000263299151 456121747 /nfs/dbraw/zinc/12/17/47/456121747.db2.gz WVMZARQIBQIHHK-PZJWPPBQSA-N 2 0 343.515 3.196 10 0 EGAERP Cc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@H]2CO)c2cc(F)ccc2[nH+]1 ZINC000301733031 456200865 /nfs/dbraw/zinc/20/08/65/456200865.db2.gz UACVTJIJHRDRNU-IRXDYDNUSA-N 2 0 343.446 3.108 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000302502685 456350504 /nfs/dbraw/zinc/35/05/04/456350504.db2.gz PHNQMHYCBYEJHL-INIZCTEOSA-N 2 0 327.472 3.133 10 0 EGAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000282193367 456439290 /nfs/dbraw/zinc/43/92/90/456439290.db2.gz NKRIQHXYKBAGPG-GIVPXCGWSA-N 2 0 328.500 3.312 10 0 EGAERP CCn1nccc1CC[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000276359860 456455329 /nfs/dbraw/zinc/45/53/29/456455329.db2.gz YJXQGOTYCARNCR-UHFFFAOYSA-N 2 0 340.515 3.290 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000340477082 456484157 /nfs/dbraw/zinc/48/41/57/456484157.db2.gz WZHCFHRPOJHHDX-XLIONFOSSA-N 2 0 341.503 3.221 10 0 EGAERP CO[C@@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCCC1 ZINC000657781780 462263286 /nfs/dbraw/zinc/26/32/86/462263286.db2.gz IDNNLEGXLZTJKT-IBGZPJMESA-N 2 0 328.460 3.261 10 0 EGAERP C[N@H+](CCCc1nc(-c2cccs2)no1)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000353150468 456523415 /nfs/dbraw/zinc/52/34/15/456523415.db2.gz CPRKSFOUCCWKNJ-YIONKMFJSA-N 2 0 346.500 3.288 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504300 456534779 /nfs/dbraw/zinc/53/47/79/456534779.db2.gz SDXVCEBXAMUBOW-BEFAXECRSA-N 2 0 342.487 3.089 10 0 EGAERP Cc1ccncc1N1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000340597501 456558812 /nfs/dbraw/zinc/55/88/12/456558812.db2.gz GEPZTCVNPDDXGN-UHFFFAOYSA-N 2 0 325.456 3.371 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(Cl)c3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000353404309 456678701 /nfs/dbraw/zinc/67/87/01/456678701.db2.gz OHZQUHPSGICXBC-BPUTZDHNSA-N 2 0 336.863 3.074 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCc3c2cccc3F)(N2CCCCC2)CC1 ZINC000338238870 456724659 /nfs/dbraw/zinc/72/46/59/456724659.db2.gz QEPRAJDXXJSTJR-FQEVSTJZSA-N 2 0 345.506 3.353 10 0 EGAERP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)cc1F ZINC000353522904 456735448 /nfs/dbraw/zinc/73/54/48/456735448.db2.gz SPFLJWJTTJKGQF-UHOSZYNNSA-N 2 0 342.462 3.282 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000353525603 456737196 /nfs/dbraw/zinc/73/71/96/456737196.db2.gz HKULPZSBIDOQQV-XSDIEEQYSA-N 2 0 327.516 3.113 10 0 EGAERP CC[C@@H](C(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1)[NH+](C)C ZINC000338267533 456739650 /nfs/dbraw/zinc/73/96/50/456739650.db2.gz VGLHCVCKHUQMGX-IBGZPJMESA-N 2 0 345.531 3.135 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341435353 456864018 /nfs/dbraw/zinc/86/40/18/456864018.db2.gz RHINONLEEKYKSN-NSHGMRRFSA-N 2 0 345.531 3.449 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000342426520 457297539 /nfs/dbraw/zinc/29/75/39/457297539.db2.gz LCKXBKXQHFDNRV-QGZVFWFLSA-N 2 0 349.482 3.186 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352014818 457331565 /nfs/dbraw/zinc/33/15/65/457331565.db2.gz OAVBTIFBPLPFBQ-KRWDZBQOSA-N 2 0 326.488 3.441 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000373869049 457376564 /nfs/dbraw/zinc/37/65/64/457376564.db2.gz TYYMNEAUXJCOSG-FPAYPSAMSA-N 2 0 336.520 3.351 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000357222212 457382443 /nfs/dbraw/zinc/38/24/43/457382443.db2.gz PWNUVFBDWBZBAH-LZLYRXPVSA-N 2 0 349.544 3.122 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@H]1C ZINC000397573520 457488445 /nfs/dbraw/zinc/48/84/45/457488445.db2.gz ZUZCRCSHUQWBNJ-QWFCFKBJSA-N 2 0 330.516 3.428 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)ccc1O ZINC000370653635 457692159 /nfs/dbraw/zinc/69/21/59/457692159.db2.gz SZCVPKDBADPSGR-QFBILLFUSA-N 2 0 340.467 3.401 10 0 EGAERP O=c1[nH]ccc2c1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC000411630891 457933584 /nfs/dbraw/zinc/93/35/84/457933584.db2.gz KMZHUUBGVCMFTC-UHFFFAOYSA-N 2 0 337.467 3.331 10 0 EGAERP C[N@@H+]1CC[C@]2(CCN(Cc3ccc(C[NH+]4CCCCC4)cc3)C2)C1 ZINC000411756859 457970353 /nfs/dbraw/zinc/97/03/53/457970353.db2.gz JUZDUGWSAKEOAV-NRFANRHFSA-N 2 0 327.516 3.200 10 0 EGAERP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375800884 458071046 /nfs/dbraw/zinc/07/10/46/458071046.db2.gz FNNUNNJIEDEXMO-QRVBRYPASA-N 2 0 329.488 3.244 10 0 EGAERP CCCCNC(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375890057 458111341 /nfs/dbraw/zinc/11/13/41/458111341.db2.gz RGVCIWZLCUNWEV-XUVXKRRUSA-N 2 0 343.515 3.179 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2N2CCO[C@@H](C)C2)CC1 ZINC000459406195 458360656 /nfs/dbraw/zinc/36/06/56/458360656.db2.gz LFXHQUIKKGNFCK-SFHVURJKSA-N 2 0 345.531 3.123 10 0 EGAERP C[C@@H](CCC[NH3+])[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423462931 458436659 /nfs/dbraw/zinc/43/66/59/458436659.db2.gz UUVHAHAQTHXRMH-FZMZJTMJSA-N 2 0 327.266 3.380 10 0 EGAERP Cc1ccc([C@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCC2)o1 ZINC000423504804 458444382 /nfs/dbraw/zinc/44/43/82/458444382.db2.gz HEUHVSYJEZDRQU-AFMYVXGZSA-N 2 0 331.504 3.235 10 0 EGAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423507991 458446190 /nfs/dbraw/zinc/44/61/90/458446190.db2.gz NGWHXQCIFINBFP-BFVZDQMLSA-N 2 0 327.241 3.293 10 0 EGAERP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423513744 458447964 /nfs/dbraw/zinc/44/79/64/458447964.db2.gz SARQYXWSAXAMDZ-NFYVFUGESA-N 2 0 327.516 3.129 10 0 EGAERP c1ccc2c(c1)CCCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523126 458450988 /nfs/dbraw/zinc/45/09/88/458450988.db2.gz VPCSFWZHYCUGLT-GZNCHQMQSA-N 2 0 327.516 3.260 10 0 EGAERP FC(F)(F)C1CC[NH+](C2CC(N[C@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486110 458506820 /nfs/dbraw/zinc/50/68/20/458506820.db2.gz QNORORVPMJTYNX-ORBLRFAASA-N 2 0 345.453 3.008 10 0 EGAERP CC1=CCC[C@@H](C)[C@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377703593 458510857 /nfs/dbraw/zinc/51/08/57/458510857.db2.gz VGRJQOVQKDDGJG-BKUVARHGSA-N 2 0 331.548 3.222 10 0 EGAERP Cc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)o1 ZINC000431780463 458622255 /nfs/dbraw/zinc/62/22/55/458622255.db2.gz YUHPZGYEHXYVPM-ZWKOTPCHSA-N 2 0 347.503 3.106 10 0 EGAERP C[C@H]1CC2(C[N@@H+]1Cc1cnc(-c3ccncc3)s1)CC[NH2+]CC2 ZINC000424386934 458630904 /nfs/dbraw/zinc/63/09/04/458630904.db2.gz XUCSWPPXYZALLZ-AWEZNQCLSA-N 2 0 328.485 3.169 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H]([C@H]2CCOC2)C1 ZINC000464058941 458730017 /nfs/dbraw/zinc/73/00/17/458730017.db2.gz MMUIZNUTWCZENI-YZGWKJHDSA-N 2 0 346.515 3.312 10 0 EGAERP CCCCNC(=O)C1([NH2+]Cc2ccc3c(c2)C[NH2+]CC3)CCCCC1 ZINC000518201317 458849076 /nfs/dbraw/zinc/84/90/76/458849076.db2.gz ZOTGAMCOUVSCQF-UHFFFAOYSA-N 2 0 343.515 3.041 10 0 EGAERP CC[C@H]1CCCCC[N@@H+]1CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475024676 458912239 /nfs/dbraw/zinc/91/22/39/458912239.db2.gz TYBFHQBBRYQKGT-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000577595131 459058025 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C[C@H]([NH2+]C[C@@H](c1cccs1)N1CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527630204 459677089 /nfs/dbraw/zinc/67/70/89/459677089.db2.gz ZJXYJUPKWVJIHS-DKIMLUQUSA-N 2 0 333.545 3.061 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000593322635 459841306 /nfs/dbraw/zinc/84/13/06/459841306.db2.gz OLNYKQIYWRCDFN-QRVBRYPASA-N 2 0 334.529 3.281 10 0 EGAERP F[C@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000634553718 460417578 /nfs/dbraw/zinc/41/75/78/460417578.db2.gz FRTSNFISVQFZLA-SJORKVTESA-N 2 0 344.434 3.343 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H](CCc2ccccc2)Cc2ccccc2)CCOCC1 ZINC000629389472 460746068 /nfs/dbraw/zinc/74/60/68/460746068.db2.gz YHLWYSCEFRQKDR-NRFANRHFSA-N 2 0 338.495 3.328 10 0 EGAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520462 460793300 /nfs/dbraw/zinc/79/33/00/460793300.db2.gz WICMCPXDHSJVIX-FTRWYGJKSA-N 2 0 337.467 3.099 10 0 EGAERP COc1cccc(C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2ccccc2)c1 ZINC000629525563 460796217 /nfs/dbraw/zinc/79/62/17/460796217.db2.gz WINMEXGTCYIHEM-FQEVSTJZSA-N 2 0 340.467 3.077 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](CC(C)C)c1cccc(Br)c1 ZINC000629530548 460797212 /nfs/dbraw/zinc/79/72/12/460797212.db2.gz JRKRLOIJZGGBNJ-MRXNPFEDSA-N 2 0 343.309 3.362 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@@H]1c1cccc(C(F)(F)F)c1 ZINC000629530473 460798293 /nfs/dbraw/zinc/79/82/93/460798293.db2.gz HTXRDQDDLNLPBP-CVEARBPZSA-N 2 0 330.394 3.167 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629530561 460798351 /nfs/dbraw/zinc/79/83/51/460798351.db2.gz JWIFDALBUVIKSB-GDBMZVCRSA-N 2 0 330.394 3.167 10 0 EGAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C[NH2+]1 ZINC000629537546 460799910 /nfs/dbraw/zinc/79/99/10/460799910.db2.gz HYCYWGFQCCLWJF-RSRIQPTJSA-N 2 0 327.516 3.160 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCOCCC[NH3+])c2cc(Br)ccc21 ZINC000629539350 460801590 /nfs/dbraw/zinc/80/15/90/460801590.db2.gz QABKAQDXSMNNRA-OAHLLOKOSA-N 2 0 341.293 3.127 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccncc2Br)[C@@H]1CCC[NH3+] ZINC000629544176 460802421 /nfs/dbraw/zinc/80/24/21/460802421.db2.gz FDEKQPYXPPBWLS-IUODEOHRSA-N 2 0 326.282 3.184 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2COc3cccc(C)c3C2)[C@H](C)C1 ZINC000624072089 460845628 /nfs/dbraw/zinc/84/56/28/460845628.db2.gz UANMWUKOUCBBOR-HBFSDRIKSA-N 2 0 346.515 3.025 10 0 EGAERP CN(CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC(F)F ZINC000624329464 460963078 /nfs/dbraw/zinc/96/30/78/460963078.db2.gz YKJJPRFRXGXZEF-UHFFFAOYSA-N 2 0 333.511 3.452 10 0 EGAERP CCCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000630007982 460994453 /nfs/dbraw/zinc/99/44/53/460994453.db2.gz SUOXXCOFLZTCNR-SFHVURJKSA-N 2 0 345.531 3.457 10 0 EGAERP C[NH+](C)CCCC(C)(C)[NH2+]Cc1ccnn1CCc1ccccc1 ZINC000621359717 461006554 /nfs/dbraw/zinc/00/65/54/461006554.db2.gz UDGBSEMUOHVXQG-UHFFFAOYSA-N 2 0 328.504 3.336 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000617925104 461024037 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IRLKLMFQBYPWLQ-IEBWSBKVSA-N 2 0 343.515 3.342 10 0 EGAERP C[C@H](CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OCc1ccccc1 ZINC000662321899 461191718 /nfs/dbraw/zinc/19/17/18/461191718.db2.gz FTFYAEMMHURLMU-QUCCMNQESA-N 2 0 334.504 3.024 10 0 EGAERP c1c(C2CC[NH+](C[C@@H]3C[C@H]4C[C@H]4C3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662326943 461195613 /nfs/dbraw/zinc/19/56/13/461195613.db2.gz HSVKOEXDXDNLNR-GBEXYDAJSA-N 2 0 328.504 3.102 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292445 461278599 /nfs/dbraw/zinc/27/85/99/461278599.db2.gz PLKCYFCXMZKIFN-WOJBJXKFSA-N 2 0 343.515 3.094 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292444 461279107 /nfs/dbraw/zinc/27/91/07/461279107.db2.gz PLKCYFCXMZKIFN-VQTJNVASSA-N 2 0 343.515 3.094 10 0 EGAERP C[C@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000659292980 461279193 /nfs/dbraw/zinc/27/91/93/461279193.db2.gz SZVTVQFFBLQCBU-GPMSIDNRSA-N 2 0 343.515 3.058 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@H]3C[C@H]3c3ccccc3)cc2)C1 ZINC000668489100 461302323 /nfs/dbraw/zinc/30/23/23/461302323.db2.gz BRZUUEIUTPJNOE-VSKRKVRLSA-N 2 0 336.479 3.147 10 0 EGAERP CCN(C(=O)Nc1cccc(-c2nccn2C)c1)[C@H]1CC[N@H+](CC)C1 ZINC000665975311 461384114 /nfs/dbraw/zinc/38/41/14/461384114.db2.gz LTFPQLHMANEMOY-KRWDZBQOSA-N 2 0 341.459 3.035 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+]CC[C@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713298 461392263 /nfs/dbraw/zinc/39/22/63/461392263.db2.gz LWBMBVOCCNURJN-PMACEKPBSA-N 2 0 328.500 3.305 10 0 EGAERP CC(C)C[C@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740621 461409000 /nfs/dbraw/zinc/40/90/00/461409000.db2.gz WTEAROBIIRZVFJ-CTNGQTDRSA-N 2 0 330.516 3.347 10 0 EGAERP Cc1nn(-c2ccccc2F)cc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000655743963 461409492 /nfs/dbraw/zinc/40/94/92/461409492.db2.gz MBOPNLBELUGCCE-AYHJJNSGSA-N 2 0 342.462 3.425 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Br ZINC000655805815 461466210 /nfs/dbraw/zinc/46/62/10/461466210.db2.gz LWIXOYLESLCNRG-BZPMIXESSA-N 2 0 341.293 3.449 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCc3ccncc3)cc2)C1 ZINC000655827034 461481894 /nfs/dbraw/zinc/48/18/94/461481894.db2.gz OAURMFXKTBNTFI-KDURUIRLSA-N 2 0 325.456 3.090 10 0 EGAERP Cc1scc(C[NH2+][C@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C ZINC000631061856 461513158 /nfs/dbraw/zinc/51/31/58/461513158.db2.gz KIAJRYWRAZCALY-HXUWFJFHSA-N 2 0 343.540 3.443 10 0 EGAERP COc1ccccc1N1CCC([NH2+]C2CCC(C[NH+](C)C)CC2)CC1 ZINC000631099067 461548946 /nfs/dbraw/zinc/54/89/46/461548946.db2.gz HTMFRLALZMZPFM-UHFFFAOYSA-N 2 0 345.531 3.374 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1)C1CCCCC1 ZINC000653201015 461556696 /nfs/dbraw/zinc/55/66/96/461556696.db2.gz WYXKGKJBVGMHOW-LJQANCHMSA-N 2 0 349.494 3.029 10 0 EGAERP CO[C@@H](C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000660165822 461616631 /nfs/dbraw/zinc/61/66/31/461616631.db2.gz HRCPEVBPWCLSOB-FQEVSTJZSA-N 2 0 331.504 3.435 10 0 EGAERP 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CO[C@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000639330889 461864540 /nfs/dbraw/zinc/86/45/40/461864540.db2.gz YFQFJOXCBFRWPG-VQTJNVASSA-N 2 0 328.500 3.303 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1 ZINC000647901873 461877374 /nfs/dbraw/zinc/87/73/74/461877374.db2.gz WWHUNEYWPAMMEX-RHSMWYFYSA-N 2 0 335.879 3.133 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000650746562 461930251 /nfs/dbraw/zinc/93/02/51/461930251.db2.gz FOERXBPAWGTKEU-ZDUSSCGKSA-N 2 0 327.241 3.294 10 0 EGAERP c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657359321 462070634 /nfs/dbraw/zinc/07/06/34/462070634.db2.gz SWVOSUICPGCWEV-UHFFFAOYSA-N 3 0 327.476 3.013 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657387598 462089466 /nfs/dbraw/zinc/08/94/66/462089466.db2.gz XRWYFDFCOURGLQ-UHFFFAOYSA-N 2 0 329.532 3.460 10 0 EGAERP Cc1ccc2cc(C[NH2+]Cc3ccccc3C[N@@H+]3CC[C@H](O)C3)[nH]c2c1 ZINC000657431928 462120149 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EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccc1F ZINC000657596445 462198151 /nfs/dbraw/zinc/19/81/51/462198151.db2.gz NGKMHEZPWRRCNZ-MAUKXSAKSA-N 2 0 328.431 3.243 10 0 EGAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657618564 462205471 /nfs/dbraw/zinc/20/54/71/462205471.db2.gz HELBTLHGNOTQKK-SJORKVTESA-N 2 0 336.426 3.197 10 0 EGAERP C[C@H](CO)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836980 462210191 /nfs/dbraw/zinc/21/01/91/462210191.db2.gz YLGFSEUAQGNKIR-PXNSSMCTSA-N 2 0 330.516 3.237 10 0 EGAERP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000657666843 462222271 /nfs/dbraw/zinc/22/22/71/462222271.db2.gz UETTUFKOUNQJHP-PXNSSMCTSA-N 2 0 332.488 3.208 10 0 EGAERP Cn1ncc(C2CCC2)c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708808 462225846 /nfs/dbraw/zinc/22/58/46/462225846.db2.gz LKROGRPOVBEDQJ-LPHOPBHVSA-N 2 0 328.504 3.136 10 0 EGAERP C[C@@H](Cc1ccc2c(c1)CCCC2)[NH2+]CCCC[NH+]1CCOCC1 ZINC000657839385 462291450 /nfs/dbraw/zinc/29/14/50/462291450.db2.gz TWFVIEPAEBMXTQ-SFHVURJKSA-N 2 0 330.516 3.198 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C(C)(C)C(F)F ZINC000657970191 462332218 /nfs/dbraw/zinc/33/22/18/462332218.db2.gz YZRMRCLBLFBSBL-WMLDXEAASA-N 2 0 340.458 3.413 10 0 EGAERP CC[C@H](COCC1CC1)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236656 462363166 /nfs/dbraw/zinc/36/31/66/462363166.db2.gz RQCNXWVSAIFMEH-IMFGXOCKSA-N 2 0 330.472 3.037 10 0 EGAERP C[C@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069537 462365985 /nfs/dbraw/zinc/36/59/85/462365985.db2.gz GXDVNLDIRDPDLD-GOSISDBHSA-N 2 0 345.531 3.273 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665276578 462380638 /nfs/dbraw/zinc/38/06/38/462380638.db2.gz GWAXJUPAIKATSC-WOJBJXKFSA-N 3 0 327.516 3.020 10 0 EGAERP CCc1ccc([C@@H](CC)[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000665285618 462384518 /nfs/dbraw/zinc/38/45/18/462384518.db2.gz RTVAQLRMTDMPOE-HXUWFJFHSA-N 2 0 345.531 3.280 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000665289541 462387875 /nfs/dbraw/zinc/38/78/75/462387875.db2.gz QTWNSRFVUQMHBP-QRQLOZEOSA-N 2 0 337.552 3.027 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@H]2CCC[C@H]21 ZINC000658124911 462394716 /nfs/dbraw/zinc/39/47/16/462394716.db2.gz RJODNOSYIREXMS-QXSJWSMHSA-N 2 0 334.426 3.339 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143569 462406549 /nfs/dbraw/zinc/40/65/49/462406549.db2.gz ZJAFCAXQTPSITJ-BSLALVQMSA-N 2 0 336.479 3.276 10 0 EGAERP FC1(F)C[C@@H]1OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168632 462416935 /nfs/dbraw/zinc/41/69/35/462416935.db2.gz IPUUIELSWNNOCW-FJIDUMEYSA-N 2 0 336.426 3.196 10 0 EGAERP O[C@@H]1C[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248114 462442412 /nfs/dbraw/zinc/44/24/12/462442412.db2.gz CBNFRNAOFBKKJT-USYVTKNRSA-N 2 0 326.484 3.075 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)c1ccc(C[NH+](CC)CC)o1 ZINC000649269669 462462966 /nfs/dbraw/zinc/46/29/66/462462966.db2.gz PUJWJHZUMZTRHN-UHFFFAOYSA-N 2 0 329.444 3.483 10 0 EGAERP Cc1c([C@H](C)NCCC[N@@H+](C)CC(C)C)nnn1-c1ccccc1 ZINC000652221979 462477105 /nfs/dbraw/zinc/47/71/05/462477105.db2.gz BJFBLBCXBGXQAO-INIZCTEOSA-N 2 0 329.492 3.204 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000658332834 462479258 /nfs/dbraw/zinc/47/92/58/462479258.db2.gz WCKYNZFVYQAQEF-IEBWSBKVSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H](CCSc1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106095 462518971 /nfs/dbraw/zinc/51/89/71/462518971.db2.gz KOTRJVDKDHFLAH-KRWDZBQOSA-N 2 0 334.529 3.354 10 0 EGAERP C[N@@H+]1CCC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180139096 547053219 /nfs/dbraw/zinc/05/32/19/547053219.db2.gz WASIGCXEHVAHAI-UDEWTMQYSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H](NCc1nc(-c2ccoc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681336 547121982 /nfs/dbraw/zinc/12/19/82/547121982.db2.gz XEAFFUPYUJDSBY-ZIAGYGMSSA-N 2 0 330.432 3.072 10 0 EGAERP C[C@H](NCc1nc(-c2ccoc2)no1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681321 547122194 /nfs/dbraw/zinc/12/21/94/547122194.db2.gz XEAFFUPYUJDSBY-UONOGXRCSA-N 2 0 330.432 3.072 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+]C4CCN(C5CC5)CC4)[C@H]3C2)cc1 ZINC000386542566 547823537 /nfs/dbraw/zinc/82/35/37/547823537.db2.gz RMXMIUOQRVMBNL-YUXAGFNASA-N 2 0 339.527 3.113 10 0 EGAERP CC1(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)CCC1 ZINC000434763745 547900740 /nfs/dbraw/zinc/90/07/40/547900740.db2.gz GKDKWNLYGCSHBU-UHFFFAOYSA-N 2 0 329.532 3.364 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)c2c1 ZINC000671747281 548351101 /nfs/dbraw/zinc/35/11/01/548351101.db2.gz DBOXHMFRXLBQON-DBVUQKKJSA-N 2 0 327.472 3.181 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000676045867 549027121 /nfs/dbraw/zinc/02/71/21/549027121.db2.gz ZGQJRBWFUATTMO-SFHVURJKSA-N 2 0 332.488 3.208 10 0 EGAERP c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+][C@H]2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC000679022338 549617145 /nfs/dbraw/zinc/61/71/45/549617145.db2.gz DATYIKYOXODCCE-UFYCRDLUSA-N 2 0 348.494 3.217 10 0 EGAERP COc1cc(Br)ccc1C[NH2+][C@H](C)C1CC[NH+](C)CC1 ZINC000681742558 550031784 /nfs/dbraw/zinc/03/17/84/550031784.db2.gz IXUILXGZNLGLJH-GFCCVEGCSA-N 2 0 341.293 3.278 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)[C@H](C)O1 ZINC000682169098 550081242 /nfs/dbraw/zinc/08/12/42/550081242.db2.gz NUFPSBMSZIFPHW-SQNIBIBYSA-N 2 0 332.488 3.159 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H](C[C@H]2CCOC2)C1 ZINC000685463953 550420559 /nfs/dbraw/zinc/42/05/59/550420559.db2.gz HQEXKSMEJXETRS-QZTJIDSGSA-N 2 0 340.471 3.214 10 0 EGAERP Cc1nn(C)c(Cl)c1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000728686925 574766797 /nfs/dbraw/zinc/76/67/97/574766797.db2.gz XOOYTGLYNHLPLD-MRXNPFEDSA-N 2 0 338.927 3.470 10 0 EGAERP [NH3+]C[C@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000050248718 1291641916 /nfs/dbraw/zinc/64/19/16/1291641916.db2.gz CNXVLENSYFVYBD-GFCCVEGCSA-N 2 0 335.245 3.490 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(-c2ccc(Cl)cc2)o1)N1CC[NH+](C)CC1 ZINC000105466763 1293040095 /nfs/dbraw/zinc/04/00/95/1293040095.db2.gz ATJSSDOVUKSVMY-OAHLLOKOSA-N 2 0 347.890 3.326 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000235480056 1296184113 /nfs/dbraw/zinc/18/41/13/1296184113.db2.gz BMGZGVCFIWTJBO-CYBMUJFWSA-N 2 0 325.294 3.441 10 0 EGAERP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CCC1(C)C ZINC000871152266 1296240993 /nfs/dbraw/zinc/24/09/93/1296240993.db2.gz UVJXZFJODCDCOL-UHFFFAOYSA-N 2 0 343.515 3.229 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872032535 1296682037 /nfs/dbraw/zinc/68/20/37/1296682037.db2.gz VXYGVRMECRZNGJ-HBMCJLEFSA-N 2 0 330.516 3.346 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872109642 1296734597 /nfs/dbraw/zinc/73/45/97/1296734597.db2.gz PIWUTCZZWNCZTO-UHMOLFJZSA-N 2 0 332.488 3.235 10 0 EGAERP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000305884422 1297063801 /nfs/dbraw/zinc/06/38/01/1297063801.db2.gz HJAXLDCLTDVGNX-IFFAKLHKSA-N 2 0 339.524 3.141 10 0 EGAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](CC[C@@H]4CCC[NH2+]C4)C3)CC2)cc1 ZINC000310743657 1297100419 /nfs/dbraw/zinc/10/04/19/1297100419.db2.gz BEAOBFZIZFKRSI-FQEVSTJZSA-N 3 0 341.543 3.364 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000389808931 1297613998 /nfs/dbraw/zinc/61/39/98/1297613998.db2.gz MBHWFDSZUNNDMG-CVEARBPZSA-N 2 0 339.524 3.096 10 0 EGAERP OC1(C[NH2+]C[C@H]2CCC(F)(F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397696347 1297703426 /nfs/dbraw/zinc/70/34/26/1297703426.db2.gz SFPRIKWGWZTDLH-KRWDZBQOSA-N 2 0 338.442 3.039 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029292 1297723560 /nfs/dbraw/zinc/72/35/60/1297723560.db2.gz IUGMHPGBYQIMGT-HZPDHXFCSA-N 2 0 327.513 3.096 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709994708 1298255273 /nfs/dbraw/zinc/25/52/73/1298255273.db2.gz DSKFECRMPSGLQX-PBHICJAKSA-N 2 0 337.305 3.456 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000709994715 1298255488 /nfs/dbraw/zinc/25/54/88/1298255488.db2.gz DSKFECRMPSGLQX-YOEHRIQHSA-N 2 0 337.305 3.456 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284259 1298280041 /nfs/dbraw/zinc/28/00/41/1298280041.db2.gz WXYGHKFQJMXAFE-YESZJQIVSA-N 2 0 339.524 3.238 10 0 EGAERP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715561931 1298281585 /nfs/dbraw/zinc/28/15/85/1298281585.db2.gz MCENLXLVQSLKEI-OTBWCIGPSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716658214 1298299903 /nfs/dbraw/zinc/29/99/03/1298299903.db2.gz JENIIHPZGMCSMT-DOTOQJQBSA-N 2 0 339.524 3.096 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(cccc2O)s1 ZINC000894096544 1306215916 /nfs/dbraw/zinc/21/59/16/1306215916.db2.gz VWEKFFKBIWILTP-QBIMZIAESA-N 2 0 346.496 3.290 10 0 EGAERP Cc1noc2ncc(C[NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894598271 1308971592 /nfs/dbraw/zinc/97/15/92/1308971592.db2.gz XVGISYDYLPTEOC-QGZVFWFLSA-N 2 0 336.439 3.143 10 0 EGAERP CCOC(=O)c1[nH]c2ccc(C)cc2c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000895188923 1309230861 /nfs/dbraw/zinc/23/08/61/1309230861.db2.gz RWMDXLDLYXDSRX-GASCZTMLSA-N 2 0 343.471 3.083 10 0 EGAERP C[C@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895556574 1309399783 /nfs/dbraw/zinc/39/97/83/1309399783.db2.gz KQPFGSGIAZSUGN-KRWDZBQOSA-N 2 0 347.466 3.193 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4C[C@@H]5O[C@H]4[C@H]4C[C@H]45)[C@@H]3C2)cc1 ZINC000897817842 1310478538 /nfs/dbraw/zinc/47/85/38/1310478538.db2.gz BROALDJEGAEKFW-OLJMEDMQSA-N 2 0 338.495 3.053 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000858506164 1328783187 /nfs/dbraw/zinc/78/31/87/1328783187.db2.gz SAQMPHUXWKVMNG-VDGAXYAQSA-N 2 0 342.483 3.139 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)cnc2Cl)[C@H](C)C1 ZINC000921747348 1322390848 /nfs/dbraw/zinc/39/08/48/1322390848.db2.gz NKZILUNPIUUHAK-NVXWUHKLSA-N 2 0 339.911 3.270 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000921928222 1322424455 /nfs/dbraw/zinc/42/44/55/1322424455.db2.gz SFYLPSCTUIDYBQ-APWZRJJASA-N 2 0 325.456 3.178 10 0 EGAERP C[C@H]1C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCN1Cc1ccccc1 ZINC000922718372 1322601699 /nfs/dbraw/zinc/60/16/99/1322601699.db2.gz UXDPOSNEDULOHQ-URZNZNTCSA-N 2 0 326.484 3.220 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCN1Cc1ccccc1 ZINC000922718370 1322601853 /nfs/dbraw/zinc/60/18/53/1322601853.db2.gz UXDPOSNEDULOHQ-RQUKQETFSA-N 2 0 326.484 3.220 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922896687 1322643828 /nfs/dbraw/zinc/64/38/28/1322643828.db2.gz JBYHEAWBGBZBIL-FPOVZHCZSA-N 2 0 346.515 3.312 10 0 EGAERP [NH3+]CCC1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000923386252 1322743555 /nfs/dbraw/zinc/74/35/55/1322743555.db2.gz IOVAAURQYQTPLO-DOTOQJQBSA-N 2 0 342.405 3.229 10 0 EGAERP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)n2)cc1F ZINC000923502300 1322763999 /nfs/dbraw/zinc/76/39/99/1322763999.db2.gz YSGQRYUFYXQIPC-GDBMZVCRSA-N 2 0 346.450 3.033 10 0 EGAERP C[C@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000923504161 1322764582 /nfs/dbraw/zinc/76/45/82/1322764582.db2.gz OWDZGNWNVAQEBW-WMZOPIPTSA-N 2 0 337.467 3.209 10 0 EGAERP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504115 1322764875 /nfs/dbraw/zinc/76/48/75/1322764875.db2.gz NYKYFQJTIJZBJF-BFYDXBDKSA-N 2 0 325.456 3.084 10 0 EGAERP CC(C)C(=O)N1CCC([NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)CC1 ZINC000924632952 1323085085 /nfs/dbraw/zinc/08/50/85/1323085085.db2.gz OZTFLTYTMMSRMS-INIZCTEOSA-N 2 0 331.504 3.046 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCc3c2nccc3Cl)cc1 ZINC000924704409 1323122837 /nfs/dbraw/zinc/12/28/37/1323122837.db2.gz OVIIUZKMHICBRE-GOSISDBHSA-N 2 0 345.874 3.453 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925219580 1325084691 /nfs/dbraw/zinc/08/46/91/1325084691.db2.gz DOWJNDLKQMDFHU-CSODHUTKSA-N 2 0 326.484 3.088 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C[C@@H](C)O1 ZINC000925441279 1325151591 /nfs/dbraw/zinc/15/15/91/1325151591.db2.gz YZZKSLOIQDNUST-WERVVEIQSA-N 2 0 345.531 3.272 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1OC ZINC000925476437 1325167241 /nfs/dbraw/zinc/16/72/41/1325167241.db2.gz BZFPCEWYCAIISU-ZWKOTPCHSA-N 2 0 332.488 3.004 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000925478078 1325167549 /nfs/dbraw/zinc/16/75/49/1325167549.db2.gz HBTKDDZBDWLXBL-PKOBYXMFSA-N 2 0 333.495 3.286 10 0 EGAERP CC1(C)[C@H]([NH2+]CCCCOCCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925477955 1325167618 /nfs/dbraw/zinc/16/76/18/1325167618.db2.gz GLMFKHRHQRVOIS-ZCNNSNEGSA-N 2 0 330.516 3.392 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000925530642 1325194049 /nfs/dbraw/zinc/19/40/49/1325194049.db2.gz GFKXPZUAIYSBAX-UMVBOHGHSA-N 2 0 346.393 3.114 10 0 EGAERP COC(=O)Nc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925579927 1325219554 /nfs/dbraw/zinc/21/95/54/1325219554.db2.gz IQRNCIOXOOKKBM-MOPGFXCFSA-N 2 0 345.487 3.165 10 0 EGAERP O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)CC1 ZINC000925624214 1325235360 /nfs/dbraw/zinc/23/53/60/1325235360.db2.gz WVRZSGVZXDGWLC-HSALFYBXSA-N 2 0 328.500 3.258 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2ccncc2OCC(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925652779 1325249107 /nfs/dbraw/zinc/24/91/07/1325249107.db2.gz ANGVNVVXHQTQBI-OLZOCXBDSA-N 2 0 331.382 3.018 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1[C@H]2Cc3ccc(Br)cc3[C@@H]12 ZINC000925727566 1325272029 /nfs/dbraw/zinc/27/20/29/1325272029.db2.gz HTUKVVHCLMRQEJ-OYUAXKTLSA-N 2 0 347.300 3.193 10 0 EGAERP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)OC1 ZINC000925732565 1325274542 /nfs/dbraw/zinc/27/45/42/1325274542.db2.gz PQKGBTNEEBOKLP-WRWLIDTKSA-N 2 0 330.472 3.037 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925771729 1325292666 /nfs/dbraw/zinc/29/26/66/1325292666.db2.gz CRUJDYZOMQBVPL-UXHICEINSA-N 2 0 346.515 3.422 10 0 EGAERP CC(C)[C@H](COCc1ccccc1)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925777744 1325297585 /nfs/dbraw/zinc/29/75/85/1325297585.db2.gz QGCLGVCJXJKPDS-IRXDYDNUSA-N 2 0 326.431 3.062 10 0 EGAERP COc1cc([C@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1SC ZINC000925781177 1325298828 /nfs/dbraw/zinc/29/88/28/1325298828.db2.gz HNBWFHIBOIFVRZ-AAEUAGOBSA-N 2 0 330.444 3.313 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1nccc2c1CCCC2 ZINC000925804703 1325308012 /nfs/dbraw/zinc/30/80/12/1325308012.db2.gz BMRJOKAGIOEYBN-SIKLNZKXSA-N 2 0 349.478 3.306 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c2ccccc12 ZINC000925810836 1325310812 /nfs/dbraw/zinc/31/08/12/1325310812.db2.gz GKTSDJPFUOTPPY-RTBURBONSA-N 2 0 325.456 3.198 10 0 EGAERP Cc1nc(-c2ccccc2)sc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811012 1325311166 /nfs/dbraw/zinc/31/11/66/1325311166.db2.gz PYDKLVOWSIHWOQ-CQSZACIVSA-N 2 0 344.528 3.192 10 0 EGAERP Cc1nc(-c2ccccc2)sc1[C@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925811011 1325311365 /nfs/dbraw/zinc/31/13/65/1325311365.db2.gz PYDKLVOWSIHWOQ-AWEZNQCLSA-N 2 0 344.528 3.192 10 0 EGAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(C)ccc1OC ZINC000925843567 1325324690 /nfs/dbraw/zinc/32/46/90/1325324690.db2.gz FGDMNCCYLQKRJR-IBGZPJMESA-N 2 0 333.520 3.120 10 0 EGAERP COc1cccc2cc([C@@H](C)[NH2+]CCCCCN3CC[NH2+]CC3)oc21 ZINC000925846256 1325327279 /nfs/dbraw/zinc/32/72/79/1325327279.db2.gz UIWXNMLKWHMANE-MRXNPFEDSA-N 2 0 345.487 3.168 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)cc1 ZINC000925854134 1325332116 /nfs/dbraw/zinc/33/21/16/1325332116.db2.gz KWWTVUMHPTVOPA-HZPDHXFCSA-N 2 0 336.863 3.066 10 0 EGAERP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859632 1325334810 /nfs/dbraw/zinc/33/48/10/1325334810.db2.gz XHHYGGXQOVCJGI-AEFFLSMTSA-N 2 0 344.499 3.018 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CC3)C3CCOCC3)CC2)ccn1 ZINC000926691432 1327668575 /nfs/dbraw/zinc/66/85/75/1327668575.db2.gz BFSFUHOPMJONLQ-OAQYLSRUSA-N 2 0 343.515 3.088 10 0 EGAERP C[C@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1cccc(C[NH+](C)C)c1 ZINC000926868072 1327746842 /nfs/dbraw/zinc/74/68/42/1327746842.db2.gz MENDWAMGCCMWPT-KXBFYZLASA-N 2 0 330.447 3.142 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926938176 1327784884 /nfs/dbraw/zinc/78/48/84/1327784884.db2.gz SVANKGRCSACTHF-RQSWOZRGSA-N 2 0 326.484 3.078 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1cnnn1-c1ccccc1 ZINC000927036471 1327826651 /nfs/dbraw/zinc/82/66/51/1327826651.db2.gz HTEBQKBPQSJHCJ-VXESANQCSA-N 2 0 339.487 3.325 10 0 EGAERP CCOC(=O)c1cccc(C[NH2+]C2CCC([NH+]3CCCCC3)CC2)n1 ZINC000862283403 1329473859 /nfs/dbraw/zinc/47/38/59/1329473859.db2.gz FLXVOXGRVHDFAP-UHFFFAOYSA-N 2 0 345.487 3.145 10 0 EGAERP Cn1nc2c(c1C[NH2+]C1CCC([NH+]3CCCCC3)CC1)CCCC2 ZINC000865484065 1329704060 /nfs/dbraw/zinc/70/40/60/1329704060.db2.gz CZYJBHAOFYRBFN-UHFFFAOYSA-N 2 0 330.520 3.186 10 0 EGAERP Cc1ccnc(C[NH2+]CC2CC[NH+](C3CC3)CC2)c1Br ZINC000865545357 1329711700 /nfs/dbraw/zinc/71/17/00/1329711700.db2.gz HTGREYMNRSDVDF-UHFFFAOYSA-N 2 0 338.293 3.117 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000866248632 1330085226 /nfs/dbraw/zinc/08/52/26/1330085226.db2.gz QFWSXVBVFNLZCD-PMACEKPBSA-N 2 0 332.488 3.064 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000866289739 1330091391 /nfs/dbraw/zinc/09/13/91/1330091391.db2.gz JGVJXWLUNWWEJT-VQTJNVASSA-N 2 0 329.488 3.235 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)ccn1 ZINC000866388133 1330105250 /nfs/dbraw/zinc/10/52/50/1330105250.db2.gz BVBUJKFUWFTUCA-SFTDATJTSA-N 2 0 343.515 3.231 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000866704597 1330142964 /nfs/dbraw/zinc/14/29/64/1330142964.db2.gz OWRSMWYXUGIYJG-SFHVURJKSA-N 2 0 337.895 3.366 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000866704638 1330143245 /nfs/dbraw/zinc/14/32/45/1330143245.db2.gz PEUFPZJAADPEGI-GOSISDBHSA-N 2 0 348.516 3.428 10 0 EGAERP CC(C)C[N@@H+](Cc1cccc2c1CC[NH2+]C2)CC1CC[NH+](C)CC1 ZINC000866717509 1330144181 /nfs/dbraw/zinc/14/41/81/1330144181.db2.gz GYGKLBUKUSFLQK-UHFFFAOYSA-N 3 0 329.532 3.132 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001323111635 1387293447 /nfs/dbraw/zinc/29/34/47/1387293447.db2.gz CPTPXFDDHYGHIE-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCC1 ZINC001323278258 1387322357 /nfs/dbraw/zinc/32/23/57/1387322357.db2.gz OODYZPWBMKAQCB-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001323641014 1387415798 /nfs/dbraw/zinc/41/57/98/1387415798.db2.gz GRAKKCKNPWKJIG-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CCCCCC1 ZINC001323722232 1387432801 /nfs/dbraw/zinc/43/28/01/1387432801.db2.gz NNXXIDOEEHHRMU-RTBURBONSA-N 2 0 335.536 3.164 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(CC)CC ZINC001323789388 1387452591 /nfs/dbraw/zinc/45/25/91/1387452591.db2.gz CWUNSBWPNKOJMM-KDURUIRLSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001323857096 1387476980 /nfs/dbraw/zinc/47/69/80/1387476980.db2.gz FWKYGRKNCQUOQQ-FPOVZHCZSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC(C)(C)C2)C[C@H]1C ZINC001324098072 1387541017 /nfs/dbraw/zinc/54/10/17/1387541017.db2.gz PCVUXESXHKUCPK-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001324339612 1387598540 /nfs/dbraw/zinc/59/85/40/1387598540.db2.gz KMDMAAUVRZOXOM-MGBKSAOESA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@]2(CC[NH+](CC3CC(C)C3)C2)C1 ZINC001324556522 1387672223 /nfs/dbraw/zinc/67/22/23/1387672223.db2.gz IAIIGELQIRTQOJ-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001324557774 1387673910 /nfs/dbraw/zinc/67/39/10/1387673910.db2.gz UKZYISKQXCWZGK-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@@]2(C)CC[N@H+](CCCCCF)C2)cc1 ZINC001324656957 1387719942 /nfs/dbraw/zinc/71/99/42/1387719942.db2.gz OXLAPIZFBJFZMC-FQEVSTJZSA-N 2 0 349.494 3.082 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001324813605 1387781844 /nfs/dbraw/zinc/78/18/44/1387781844.db2.gz ORBUOGLTBODJBM-TZIWHRDSSA-N 2 0 345.531 3.164 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001324935511 1387831315 /nfs/dbraw/zinc/83/13/15/1387831315.db2.gz FQIYGFIJLJPDMV-AZUAARDMSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958760 1387853173 /nfs/dbraw/zinc/85/31/73/1387853173.db2.gz WJCLATJUVWIJPB-OXJNMPFZSA-N 2 0 349.494 3.057 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001325349535 1387945479 /nfs/dbraw/zinc/94/54/79/1387945479.db2.gz DUDYDQATSSJVSW-ZCNNSNEGSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001325630917 1388017256 /nfs/dbraw/zinc/01/72/56/1388017256.db2.gz YMMCWMXLHYAVHS-NQYYFHDYSA-N 2 0 349.563 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCC(C)CC1 ZINC001325914486 1388078250 /nfs/dbraw/zinc/07/82/50/1388078250.db2.gz AFSQQOIVECWJRN-GUMHCPJTSA-N 2 0 349.563 3.218 10 0 EGAERP Fc1cccc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)c1OC(F)F ZINC001118505968 1371191120 /nfs/dbraw/zinc/19/11/20/1371191120.db2.gz KMRWWQITWZVWQU-UHFFFAOYSA-N 2 0 328.378 3.393 10 0 EGAERP C[C@@H]([NH2+]CCOC1CCSCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812557 1371407517 /nfs/dbraw/zinc/40/75/17/1371407517.db2.gz QFQDMIAELWEJFS-HZPDHXFCSA-N 2 0 326.550 3.141 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001326437361 1388188142 /nfs/dbraw/zinc/18/81/42/1388188142.db2.gz LRHOPDIQTSAIAU-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1)CC(C)(C)C ZINC001326888825 1388338982 /nfs/dbraw/zinc/33/89/82/1388338982.db2.gz CVLNGLKRGXEANW-UHFFFAOYSA-N 2 0 349.563 3.483 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001327127329 1388391631 /nfs/dbraw/zinc/39/16/31/1388391631.db2.gz VBCYLYOKJCZDBY-PDTMIUJASA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@H]1CCC[C@@H](C)C1 ZINC001266575470 1377335950 /nfs/dbraw/zinc/33/59/50/1377335950.db2.gz PUEIBNDMTMGYHC-RTBURBONSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136394980 1377387107 /nfs/dbraw/zinc/38/71/07/1377387107.db2.gz XKNZDHMYRBXBHU-HOTGVXAUSA-N 2 0 342.487 3.141 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853816 1377395113 /nfs/dbraw/zinc/39/51/13/1377395113.db2.gz UJTUVOHBFKYLOQ-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001136715125 1377417662 /nfs/dbraw/zinc/41/76/62/1377417662.db2.gz GLGCWJZDHOZIRM-KRWDZBQOSA-N 2 0 347.503 3.078 10 0 EGAERP C[C@@H](C[N@H+](C)C/C=C\c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741544 1377523946 /nfs/dbraw/zinc/52/39/46/1377523946.db2.gz TZGPBBFEYFGWSL-GFBZKKKVSA-N 2 0 343.515 3.011 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001271528270 1377635639 /nfs/dbraw/zinc/63/56/39/1377635639.db2.gz ADMOYRBUJCGQEG-XLIONFOSSA-N 2 0 345.531 3.031 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1 ZINC001276001052 1378166576 /nfs/dbraw/zinc/16/65/76/1378166576.db2.gz DIZDIOZFAJZLLI-MJGOQNOKSA-N 2 0 331.504 3.059 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+][C@H](C)c3ccccc3)CC2)CC1 ZINC001277210252 1378210696 /nfs/dbraw/zinc/21/06/96/1378210696.db2.gz ZSDPMGHXVVBMGL-QGZVFWFLSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)[C@H](C(=O)NCC1=CC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001279696388 1378318750 /nfs/dbraw/zinc/31/87/50/1378318750.db2.gz XIEWQWRYLMSLIW-HXUWFJFHSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001280264740 1378338543 /nfs/dbraw/zinc/33/85/43/1378338543.db2.gz ZNONRQYWXCPTQU-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1 ZINC001282682313 1378555693 /nfs/dbraw/zinc/55/56/93/1378555693.db2.gz OPLLPNZLLJWIHS-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3=CCCCC3)C[C@@H]2C1 ZINC001282957055 1378683810 /nfs/dbraw/zinc/68/38/10/1378683810.db2.gz CZHLURIHEFLSLA-SLFFLAALSA-N 2 0 347.547 3.044 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CC3)C[C@@]2(C)C1 ZINC001282992446 1378699783 /nfs/dbraw/zinc/69/97/83/1378699783.db2.gz JVBQRHLNCNZJBY-BGYRXZFFSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283924753 1379276675 /nfs/dbraw/zinc/27/66/75/1379276675.db2.gz ALYIEQSPCVRPOB-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001284029479 1379378435 /nfs/dbraw/zinc/37/84/35/1379378435.db2.gz DTMUNRNAXWRFPM-AZUAARDMSA-N 2 0 347.547 3.332 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001284131668 1379514037 /nfs/dbraw/zinc/51/40/37/1379514037.db2.gz NJGCVOVWROTWKC-ZBWOGFRMSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001284192970 1379586104 /nfs/dbraw/zinc/58/61/04/1379586104.db2.gz SZWNRUWFRFMKSQ-SJORKVTESA-N 2 0 340.471 3.097 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001284192968 1379586167 /nfs/dbraw/zinc/58/61/67/1379586167.db2.gz SZWNRUWFRFMKSQ-IRXDYDNUSA-N 2 0 340.471 3.097 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001284600049 1380000993 /nfs/dbraw/zinc/00/09/93/1380000993.db2.gz YIVVOFCWBLBVIW-INMHGKMJSA-N 2 0 346.519 3.070 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001284619474 1380018621 /nfs/dbraw/zinc/01/86/21/1380018621.db2.gz RNWMRVGGCGFXLR-YESZJQIVSA-N 2 0 325.541 3.027 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)C2([NH+](C)C)CCCC2)CC1 ZINC001153482447 1380084031 /nfs/dbraw/zinc/08/40/31/1380084031.db2.gz LTOZROQOLHKQBW-UHFFFAOYSA-N 2 0 335.536 3.118 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001328083037 1388665162 /nfs/dbraw/zinc/66/51/62/1388665162.db2.gz RUSGNRXDWWNTKB-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001328510039 1388768376 /nfs/dbraw/zinc/76/83/76/1388768376.db2.gz SGSQFIVBEZJCAT-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698610928 1406240310 /nfs/dbraw/zinc/24/03/10/1406240310.db2.gz XZZOKRDYTFKGKH-PKOBYXMFSA-N 2 0 345.531 3.415 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001328589327 1388785211 /nfs/dbraw/zinc/78/52/11/1388785211.db2.gz YUEURNZBWYMITR-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001328686751 1388807731 /nfs/dbraw/zinc/80/77/31/1388807731.db2.gz OUVDDDVIYPCGHX-HSALFYBXSA-N 2 0 343.515 3.033 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[NH+]2C1)C1CCCCC1 ZINC001165302771 1383269303 /nfs/dbraw/zinc/26/93/03/1383269303.db2.gz LQACRNDTEIDODQ-GGPKGHCWSA-N 2 0 349.563 3.268 10 0 EGAERP CCOCCOCC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001167658426 1383701137 /nfs/dbraw/zinc/70/11/37/1383701137.db2.gz GOVWVDCOOHSOTN-GOSISDBHSA-N 2 0 326.525 3.016 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccccc1 ZINC001301684087 1383726139 /nfs/dbraw/zinc/72/61/39/1383726139.db2.gz AYCHBMVIEAGTGZ-SFHVURJKSA-N 2 0 331.504 3.012 10 0 EGAERP CC1(C)OCC[C@@H]1[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307776538 1384030164 /nfs/dbraw/zinc/03/01/64/1384030164.db2.gz QDIXKPCPUUDDMK-FQEVSTJZSA-N 2 0 330.516 3.488 10 0 EGAERP C[N@@H+]1C[C@]23C[NH+](C[C@H](O)Cc4cccc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001308172450 1384104967 /nfs/dbraw/zinc/10/49/67/1384104967.db2.gz ZWNWYULOJUCUPS-AQNXPRMDSA-N 2 0 348.918 3.051 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC2CC(C[NH2+]CCC3CCCC3)C2)CC1 ZINC001328939160 1388906172 /nfs/dbraw/zinc/90/61/72/1388906172.db2.gz YHJNIQCDOGEYMW-UHFFFAOYSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001316630345 1384493916 /nfs/dbraw/zinc/49/39/16/1384493916.db2.gz IZNYPQXEDMWUQN-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316680621 1384521338 /nfs/dbraw/zinc/52/13/38/1384521338.db2.gz GVKKNTJDMLHPJM-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001316704262 1384530771 /nfs/dbraw/zinc/53/07/71/1384530771.db2.gz SOAANOCZMZROPU-AABGKKOBSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1(C[NH+](C)C)CC1 ZINC001316725356 1384545717 /nfs/dbraw/zinc/54/57/17/1384545717.db2.gz YKGHLCFXARJWFI-FGTMMUONSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001316774830 1384573560 /nfs/dbraw/zinc/57/35/60/1384573560.db2.gz WOCQVFCLUMBWRR-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CCC2CCCC2)C1 ZINC001316804584 1384594716 /nfs/dbraw/zinc/59/47/16/1384594716.db2.gz RQGNHRZSWXLNIE-ICSRJNTNSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316809213 1384604320 /nfs/dbraw/zinc/60/43/20/1384604320.db2.gz AQYKVSHUNRZARQ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001316832647 1384624414 /nfs/dbraw/zinc/62/44/14/1384624414.db2.gz CDIPZFKYUGEHRP-LJQANCHMSA-N 2 0 343.515 3.204 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001316917112 1384687776 /nfs/dbraw/zinc/68/77/76/1384687776.db2.gz ZENWQJJGZBCPKK-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317033128 1384802014 /nfs/dbraw/zinc/80/20/14/1384802014.db2.gz FTTBDPMJXPDWNE-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317044322 1384818343 /nfs/dbraw/zinc/81/83/43/1384818343.db2.gz QKFOSHLBYSACRD-LIXSYLKWSA-N 2 0 349.563 3.245 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317044323 1384818726 /nfs/dbraw/zinc/81/87/26/1384818726.db2.gz QKFOSHLBYSACRD-OVKVCFKUSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC001317099361 1384862415 /nfs/dbraw/zinc/86/24/15/1384862415.db2.gz BSQRQVQQKRJYOR-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317105991 1384870233 /nfs/dbraw/zinc/87/02/33/1384870233.db2.gz POHMTXMEAVFZIP-KJYWSYJISA-N 2 0 349.563 3.388 10 0 EGAERP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)ccc2c[nH+]cn21 ZINC001317115186 1384875950 /nfs/dbraw/zinc/87/59/50/1384875950.db2.gz MCOVRVQFBSTNFA-CALCHBBNSA-N 2 0 340.471 3.073 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317148122 1384914993 /nfs/dbraw/zinc/91/49/93/1384914993.db2.gz BGTVHXFNVIKBLT-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317180093 1384955555 /nfs/dbraw/zinc/95/55/55/1384955555.db2.gz IHXZMHPGFCEOSG-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001317187531 1384962385 /nfs/dbraw/zinc/96/23/85/1384962385.db2.gz FWVPGEWXEXMSNW-GOSISDBHSA-N 2 0 335.536 3.166 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001317220979 1385001753 /nfs/dbraw/zinc/00/17/53/1385001753.db2.gz QITQOUVJLRTGQA-UHFFFAOYSA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001317259519 1385029145 /nfs/dbraw/zinc/02/91/45/1385029145.db2.gz LQKLVNDEHCTOEK-MJGOQNOKSA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@@H](C[NH2+]CCC3CCCCCC3)C2)CC1 ZINC001317335502 1385088240 /nfs/dbraw/zinc/08/82/40/1385088240.db2.gz QWKVAUJZFYMZJI-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001317337471 1385089820 /nfs/dbraw/zinc/08/98/20/1385089820.db2.gz BNFFAPIRKYUOIR-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@H](C(=O)NCC[C@H](C)[NH2+]Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001317406588 1385118926 /nfs/dbraw/zinc/11/89/26/1385118926.db2.gz DKEZTNRUBDRINK-DLBZAZTESA-N 2 0 349.494 3.075 10 0 EGAERP C[C@@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407039 1385119152 /nfs/dbraw/zinc/11/91/52/1385119152.db2.gz VFDVUKUPQCAWLW-KXBFYZLASA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317424105 1385130795 /nfs/dbraw/zinc/13/07/95/1385130795.db2.gz QNXURXMABBPHEP-OALUTQOASA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccccc1F)[NH+](C)C ZINC001317424909 1385131460 /nfs/dbraw/zinc/13/14/60/1385131460.db2.gz VEXMRJWNDLDGRN-PKOBYXMFSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC(C)C ZINC001317435097 1385138934 /nfs/dbraw/zinc/13/89/34/1385138934.db2.gz PIENXHVETIUZBF-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317502253 1385204773 /nfs/dbraw/zinc/20/47/73/1385204773.db2.gz IDCWIWMXFHNZLQ-PXPVJAHISA-N 2 0 347.547 3.189 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@H]2CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317502864 1385206207 /nfs/dbraw/zinc/20/62/07/1385206207.db2.gz LCGIDKFFHGFFDI-TVPLGVNVSA-N 2 0 349.563 3.266 10 0 EGAERP COc1cccc(OCC[N@H+](CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC001175601429 1385345764 /nfs/dbraw/zinc/34/57/64/1385345764.db2.gz LPALWXXNEGSTIF-UHFFFAOYSA-N 2 0 334.504 3.374 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317677018 1385384661 /nfs/dbraw/zinc/38/46/61/1385384661.db2.gz OBEOKCBTEOHSHC-APWZRJJASA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC001317721614 1385421791 /nfs/dbraw/zinc/42/17/91/1385421791.db2.gz WQAJKDFHNNUAHR-RBUKOAKNSA-N 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C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001317987994 1385601666 /nfs/dbraw/zinc/60/16/66/1385601666.db2.gz QTDSGCFAXWDTJN-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001318477273 1385713158 /nfs/dbraw/zinc/71/31/58/1385713158.db2.gz DBGYOWUPXQVXJD-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CO[C@H]1CC[C@@H]1[N@H+](C)CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001176914898 1385742120 /nfs/dbraw/zinc/74/21/20/1385742120.db2.gz FOTQAUFKUBWGRX-SFTDATJTSA-N 2 0 330.516 3.440 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581609 1385769339 /nfs/dbraw/zinc/76/93/39/1385769339.db2.gz KRCMMJMLTWAFOU-MJGOQNOKSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001318636960 1385809313 /nfs/dbraw/zinc/80/93/13/1385809313.db2.gz OVWRPRANLUKVFV-LJQANCHMSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001318859707 1385863768 /nfs/dbraw/zinc/86/37/68/1385863768.db2.gz JASXCDZCPWHSEG-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001319412309 1386109830 /nfs/dbraw/zinc/10/98/30/1386109830.db2.gz OJPVRHUZFXNUPN-UHFFFAOYSA-N 2 0 349.563 3.367 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001698634072 1406278018 /nfs/dbraw/zinc/27/80/18/1406278018.db2.gz LKLJZEOKNNXAGL-MSOLQXFVSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001698634074 1406278383 /nfs/dbraw/zinc/27/83/83/1406278383.db2.gz LKLJZEOKNNXAGL-ROUUACIJSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001319658114 1386237492 /nfs/dbraw/zinc/23/74/92/1386237492.db2.gz WFEFYMWOXYXIJW-OALUTQOASA-N 2 0 337.552 3.170 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001319689466 1386253458 /nfs/dbraw/zinc/25/34/58/1386253458.db2.gz GGILCLLLGPKOLV-HOCLYGCPSA-N 2 0 337.533 3.050 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCC(C)(C)C)C1 ZINC001319789757 1386297337 /nfs/dbraw/zinc/29/73/37/1386297337.db2.gz BHXADRDHCZTEBF-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001319966959 1386423901 /nfs/dbraw/zinc/42/39/01/1386423901.db2.gz ASUDZARRKMPZFS-SFHVURJKSA-N 2 0 339.568 3.273 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001320420577 1386605158 /nfs/dbraw/zinc/60/51/58/1386605158.db2.gz HIWFKJDPCKDMGC-MBOZVWFJSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]Cc2ccsc2)ccc2c[nH+]cn21 ZINC001320474161 1386619558 /nfs/dbraw/zinc/61/95/58/1386619558.db2.gz NQHMMWFADRRLLM-ZDUSSCGKSA-N 2 0 342.468 3.002 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320528592 1386637947 /nfs/dbraw/zinc/63/79/47/1386637947.db2.gz HXAKOEACQYFRCJ-IEBWSBKVSA-N 2 0 335.536 3.234 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]CC2CCCCC2)C1 ZINC001320529271 1386638775 /nfs/dbraw/zinc/63/87/75/1386638775.db2.gz MBYXQZJAVYGWDZ-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320562673 1386651103 /nfs/dbraw/zinc/65/11/03/1386651103.db2.gz LAKMGDACGUFOAA-RBUKOAKNSA-N 2 0 345.531 3.244 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001320756448 1386710411 /nfs/dbraw/zinc/71/04/11/1386710411.db2.gz YPCIXOSNLCOHSJ-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001698666370 1406317013 /nfs/dbraw/zinc/31/70/13/1406317013.db2.gz ZKNCYWRMDMIYLI-PXNSSMCTSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001698666380 1406317146 /nfs/dbraw/zinc/31/71/46/1406317146.db2.gz ZLALWOVQEHOLDL-LAUBAEHRSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1 ZINC001698674217 1406322760 /nfs/dbraw/zinc/32/27/60/1406322760.db2.gz SRNYMCVZDGRASY-MRXNPFEDSA-N 2 0 349.544 3.052 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(C)c1 ZINC001321419327 1386900465 /nfs/dbraw/zinc/90/04/65/1386900465.db2.gz OUSFCJPANYAUQZ-YKMDAGRBSA-N 2 0 343.515 3.192 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001698679684 1406327574 /nfs/dbraw/zinc/32/75/74/1406327574.db2.gz OZAITACFHIRDOQ-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001322158538 1387080408 /nfs/dbraw/zinc/08/04/08/1387080408.db2.gz TYGXRWXSSQOOOI-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001322173501 1387087640 /nfs/dbraw/zinc/08/76/40/1387087640.db2.gz AMGYBSIKFSGAKX-QAPCUYQASA-N 2 0 349.544 3.092 10 0 EGAERP C[C@@H]([NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1F ZINC001698703069 1406344870 /nfs/dbraw/zinc/34/48/70/1406344870.db2.gz LRCDWWGXFPIBMB-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001322567935 1387206839 /nfs/dbraw/zinc/20/68/39/1387206839.db2.gz ANQHYJYFQMGVPG-RTBURBONSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001329202968 1389020870 /nfs/dbraw/zinc/02/08/70/1389020870.db2.gz PIPLKXAEZQSVAM-IRXDYDNUSA-N 2 0 345.531 3.425 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001329256709 1389038054 /nfs/dbraw/zinc/03/80/54/1389038054.db2.gz LFKWCMCIPIWUAF-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001329341825 1389067964 /nfs/dbraw/zinc/06/79/64/1389067964.db2.gz HFDNXLJKPDSYPN-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2=CCCCC2)CC1)CC(C)(C)C ZINC001698713296 1406355789 /nfs/dbraw/zinc/35/57/89/1406355789.db2.gz UMCFRLFNLIGFIT-WGSAOQKQSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+]1CCC2)[N@H+](C)CCC1CCCCC1 ZINC001329485503 1389125746 /nfs/dbraw/zinc/12/57/46/1389125746.db2.gz AREDXLSBQLFQIM-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)[C@H](C)CNC(=O)C[C@H](C)n2ccnc2)c1 ZINC001329560550 1389156115 /nfs/dbraw/zinc/15/61/15/1389156115.db2.gz OJWVRFUPBBEBHO-ZWKOTPCHSA-N 2 0 342.487 3.088 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc2ccccc2c1 ZINC001329622797 1389189061 /nfs/dbraw/zinc/18/90/61/1389189061.db2.gz GPQVRHRMUMGNAP-QGZVFWFLSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)=CC[NH2+][C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)C(C)C ZINC001329749209 1389217572 /nfs/dbraw/zinc/21/75/72/1389217572.db2.gz GCPGIHJNSQMNTJ-GOSISDBHSA-N 2 0 337.552 3.290 10 0 EGAERP O=C(NC1(C[NH2+]CCC2CC2)CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001329829952 1389233296 /nfs/dbraw/zinc/23/32/96/1389233296.db2.gz VZRATTUDEUANPW-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001329837276 1389234139 /nfs/dbraw/zinc/23/41/39/1389234139.db2.gz FTJUCQOLXCKNPC-GOSISDBHSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001329861005 1389238398 /nfs/dbraw/zinc/23/83/98/1389238398.db2.gz MFMJOVZLQSLNHS-RTBURBONSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001329922517 1389259897 /nfs/dbraw/zinc/25/98/97/1389259897.db2.gz COEMASYVNSHJQL-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC001329951914 1389271244 /nfs/dbraw/zinc/27/12/44/1389271244.db2.gz ILNHRUOKSUZRPW-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](NC(=O)CCCC[NH+](C)C)C1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001330072387 1389299861 /nfs/dbraw/zinc/29/98/61/1389299861.db2.gz SXWSMJSIHVWOCW-HOTGVXAUSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001330075372 1389301447 /nfs/dbraw/zinc/30/14/47/1389301447.db2.gz UOTQYCHBMJWBGR-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001330211589 1389343524 /nfs/dbraw/zinc/34/35/24/1389343524.db2.gz VBIZYRXWDLIFAK-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[NH+](CC2=CCCCC2)CC1(C)C)CC(C)(C)C ZINC001330230741 1389352487 /nfs/dbraw/zinc/35/24/87/1389352487.db2.gz ROQVARJJPLDAPD-SFHVURJKSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](CC)c2ccccc2)CC1(C)C ZINC001330244018 1389361840 /nfs/dbraw/zinc/36/18/40/1389361840.db2.gz IJOZUCQOZPDBCA-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)[C@H](C(=O)NCCC1CC[NH+](CCC(C)(C)C)CC1)[NH+](C)C ZINC001698724447 1406373208 /nfs/dbraw/zinc/37/32/08/1406373208.db2.gz LAKQPTPMHUISGE-GOSISDBHSA-N 2 0 339.568 3.227 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001698726069 1406376164 /nfs/dbraw/zinc/37/61/64/1406376164.db2.gz KOKHMJLGWLPJNP-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC001330468091 1389421322 /nfs/dbraw/zinc/42/13/22/1389421322.db2.gz OOXQMMZSHQULNQ-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001330681277 1389495665 /nfs/dbraw/zinc/49/56/65/1389495665.db2.gz IPAXHYJKERMLLI-UAPYVXQJSA-N 2 0 337.552 3.027 10 0 EGAERP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)CCC[NH+]2CCCC2)CC1 ZINC001698734350 1406383127 /nfs/dbraw/zinc/38/31/27/1406383127.db2.gz PCVFCXLHZCUTNI-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001331073926 1389619698 /nfs/dbraw/zinc/61/96/98/1389619698.db2.gz FAIDYOKYHMRAAH-PXDRNWIDSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001331323304 1389701599 /nfs/dbraw/zinc/70/15/99/1389701599.db2.gz CTYFMZDZSMUVPJ-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001331358177 1389717329 /nfs/dbraw/zinc/71/73/29/1389717329.db2.gz AOTQPMGMCZDNAJ-LJQANCHMSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CCCCC1 ZINC001331485413 1389765896 /nfs/dbraw/zinc/76/58/96/1389765896.db2.gz BISUDLSFJBSPAX-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332108677 1389987175 /nfs/dbraw/zinc/98/71/75/1389987175.db2.gz COTAKUHYMXVHMT-UINFQJAVSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001332270363 1390071502 /nfs/dbraw/zinc/07/15/02/1390071502.db2.gz CAYQFIHQJAEGAE-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001332294655 1390078652 /nfs/dbraw/zinc/07/86/52/1390078652.db2.gz VLBVHQFNQKIVFF-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC001332438287 1390117641 /nfs/dbraw/zinc/11/76/41/1390117641.db2.gz QPFNRAXIHSNZRO-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C/C=C(\C)COC)CC1 ZINC001332700978 1390159775 /nfs/dbraw/zinc/15/97/75/1390159775.db2.gz QAUCNNOVLGOSID-QLGNDSFESA-N 2 0 349.494 3.211 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C)[NH+](C)C ZINC001332859432 1390202992 /nfs/dbraw/zinc/20/29/92/1390202992.db2.gz HXECTZOGZPFDJI-ROUUACIJSA-N 2 0 337.552 3.338 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001332900246 1390212987 /nfs/dbraw/zinc/21/29/87/1390212987.db2.gz TXRSSMVLWVOELO-SJORKVTESA-N 2 0 325.541 3.026 10 0 EGAERP COc1ccc2c(c1)C[C@H](C[NH2+][C@@H](C)[C@@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049940 1390467454 /nfs/dbraw/zinc/46/74/54/1390467454.db2.gz VKTPEDJBCZEFNP-RZQQEMMASA-N 2 0 344.499 3.241 10 0 EGAERP c1ccc2c(c1)[nH]c1c2CCC[C@@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC001334389433 1390530146 /nfs/dbraw/zinc/53/01/46/1390530146.db2.gz GSYOVOKVUHGNMI-FQEVSTJZSA-N 2 0 340.515 3.210 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798118 1406469282 /nfs/dbraw/zinc/46/92/82/1406469282.db2.gz KWFWOQFJZXAODF-VZSQWMKGSA-N 2 0 347.547 3.093 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001698805166 1406485194 /nfs/dbraw/zinc/48/51/94/1406485194.db2.gz RWADIELJINRGFU-UHFFFAOYSA-N 2 0 349.563 3.461 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001698805798 1406486390 /nfs/dbraw/zinc/48/63/90/1406486390.db2.gz YHLSNAXNSUKIKI-SFHVURJKSA-N 2 0 343.515 3.170 10 0 EGAERP C[C@H](C[NH2+]Cc1ccccc1)N(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001698833400 1406527740 /nfs/dbraw/zinc/52/77/40/1406527740.db2.gz LCTNKSOGTSRAEH-QGZVFWFLSA-N 2 0 345.531 3.276 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](c2cncn2C(C)(C)C)C1 ZINC001353344691 1391993182 /nfs/dbraw/zinc/99/31/82/1391993182.db2.gz IBEILDLRKBCQRG-SJORKVTESA-N 2 0 346.519 3.219 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001698848952 1406551333 /nfs/dbraw/zinc/55/13/33/1406551333.db2.gz VGDRNWODZXYAKZ-INIZCTEOSA-N 2 0 333.520 3.235 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001479523918 1392267832 /nfs/dbraw/zinc/26/78/32/1392267832.db2.gz GIOPZSQWNXTWRW-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001479523734 1392268156 /nfs/dbraw/zinc/26/81/56/1392268156.db2.gz OAASKMUXDUZSFP-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001479738914 1392351926 /nfs/dbraw/zinc/35/19/26/1392351926.db2.gz MTPSLLJXIZKUTB-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001479740121 1392353418 /nfs/dbraw/zinc/35/34/18/1392353418.db2.gz ZLZDEZRFDQJDEF-PMACEKPBSA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001479889544 1392460161 /nfs/dbraw/zinc/46/01/61/1392460161.db2.gz DNDZSECYVLMXRI-AATRIKPKSA-N 2 0 347.547 3.284 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479905488 1392473006 /nfs/dbraw/zinc/47/30/06/1392473006.db2.gz KWBBISGJRGCRNX-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479911089 1392479121 /nfs/dbraw/zinc/47/91/21/1392479121.db2.gz CXQVDORUUABAFF-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001479972857 1392509524 /nfs/dbraw/zinc/50/95/24/1392509524.db2.gz ZKRCKALCHWSJAQ-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001479985667 1392518332 /nfs/dbraw/zinc/51/83/32/1392518332.db2.gz TXBZLPFJTVLEOP-YSKLNCTFSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001480102396 1392586502 /nfs/dbraw/zinc/58/65/02/1392586502.db2.gz FGUIIFWPZSPDHQ-RLLQIKCJSA-N 2 0 343.515 3.155 10 0 EGAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001480182324 1392614071 /nfs/dbraw/zinc/61/40/71/1392614071.db2.gz ORHQDFNCKUUKTP-IPQPSQTFSA-N 2 0 335.536 3.019 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)cc1 ZINC001480228618 1392628608 /nfs/dbraw/zinc/62/86/08/1392628608.db2.gz VUBGIGJMQDWYNI-BGYRXZFFSA-N 2 0 343.515 3.179 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001480267246 1392650831 /nfs/dbraw/zinc/65/08/31/1392650831.db2.gz JKRZHZXEKQXVLY-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001480283331 1392658652 /nfs/dbraw/zinc/65/86/52/1392658652.db2.gz IXEXLRRCBIVKGC-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001480349617 1392699093 /nfs/dbraw/zinc/69/90/93/1392699093.db2.gz IBTYCFXSSJCREI-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480350495 1392699690 /nfs/dbraw/zinc/69/96/90/1392699690.db2.gz VJGXJMBYIIFBQE-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001480384569 1392728356 /nfs/dbraw/zinc/72/83/56/1392728356.db2.gz WVUZHQIXOYUJNI-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC1CC[NH+](CC(=O)NC2CCC([NH2+]CCC(C)(C)C)CC2)CC1 ZINC001480410146 1392746176 /nfs/dbraw/zinc/74/61/76/1392746176.db2.gz XFQLCZMAUYTVTK-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001480413473 1392748208 /nfs/dbraw/zinc/74/82/08/1392748208.db2.gz XZKOUUOCDUEDPP-ACBHZAAOSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698872981 1406593972 /nfs/dbraw/zinc/59/39/72/1406593972.db2.gz HCVJECPCJOMANP-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001480710070 1392872182 /nfs/dbraw/zinc/87/21/82/1392872182.db2.gz UYFHNGUYSUOYOZ-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001480784049 1392931258 /nfs/dbraw/zinc/93/12/58/1392931258.db2.gz QJOYZGKTZICPDR-DVESRUBUSA-N 2 0 343.515 3.059 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001480787045 1392933320 /nfs/dbraw/zinc/93/33/20/1392933320.db2.gz YFNQBWKEVVDBQX-IEBWSBKVSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001480813857 1392951237 /nfs/dbraw/zinc/95/12/37/1392951237.db2.gz NAZFKBVQBIINAE-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480995985 1393075593 /nfs/dbraw/zinc/07/55/93/1393075593.db2.gz IVVAVPQOVFMPSH-YSIASYRMSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001481053545 1393107890 /nfs/dbraw/zinc/10/78/90/1393107890.db2.gz TVFRSGNZHNYAAB-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481126931 1393126876 /nfs/dbraw/zinc/12/68/76/1393126876.db2.gz NMTDMHYFFUPXNX-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1=CCCCC1 ZINC001481139585 1393131326 /nfs/dbraw/zinc/13/13/26/1393131326.db2.gz MGNGUMVMVZVEGX-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001481239606 1393152601 /nfs/dbraw/zinc/15/26/01/1393152601.db2.gz UFIRWFUZAVCPDW-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001481259798 1393154558 /nfs/dbraw/zinc/15/45/58/1393154558.db2.gz IAYUPMSGLRDCPR-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001481317515 1393162746 /nfs/dbraw/zinc/16/27/46/1393162746.db2.gz HNXQMHNVLDMBQR-ROUUACIJSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481336017 1393166458 /nfs/dbraw/zinc/16/64/58/1393166458.db2.gz HVJOBWJMRUJBER-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001698895503 1406628036 /nfs/dbraw/zinc/62/80/36/1406628036.db2.gz YOGJWUVZTDJXNQ-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001481366477 1394206284 /nfs/dbraw/zinc/20/62/84/1394206284.db2.gz XZMQTCZJLAASAO-LJQANCHMSA-N 2 0 343.515 3.110 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)CCC1 ZINC001481367334 1394207161 /nfs/dbraw/zinc/20/71/61/1394207161.db2.gz QEADFDCCFAZVDQ-SFHVURJKSA-N 2 0 345.531 3.354 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC001481389886 1394230583 /nfs/dbraw/zinc/23/05/83/1394230583.db2.gz FRZGZSGOOLMTQH-ZRNYENFQSA-N 2 0 349.563 3.218 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481407023 1394261004 /nfs/dbraw/zinc/26/10/04/1394261004.db2.gz YKXZFUANKAPHGC-UXHICEINSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481437540 1394291889 /nfs/dbraw/zinc/29/18/89/1394291889.db2.gz VIMNWUYUZDDFGJ-QGZVFWFLSA-N 2 0 342.487 3.275 10 0 EGAERP O=C(NC[C@H]([NH2+]CC1CCC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001490698571 1394298571 /nfs/dbraw/zinc/29/85/71/1394298571.db2.gz HRSJPSUSSLFSCX-VQTJNVASSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001481447717 1394301552 /nfs/dbraw/zinc/30/15/52/1394301552.db2.gz SBZMUDRPXGHFMC-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481462146 1394319195 /nfs/dbraw/zinc/31/91/95/1394319195.db2.gz PZCVQZPIAMRPAL-RTBURBONSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464716 1394320650 /nfs/dbraw/zinc/32/06/50/1394320650.db2.gz LPDAJQOJFFLHLG-ICSRJNTNSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+](CC)CC ZINC001490770630 1394332843 /nfs/dbraw/zinc/33/28/43/1394332843.db2.gz DGZYNQPWADTWHR-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481500216 1394347394 /nfs/dbraw/zinc/34/73/94/1394347394.db2.gz DUHPLXRKTGSUCC-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001481509016 1394356937 /nfs/dbraw/zinc/35/69/37/1394356937.db2.gz MZTNWCACIIFYFY-PMACEKPBSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001481528226 1394382616 /nfs/dbraw/zinc/38/26/16/1394382616.db2.gz BBMPRXSWEFDATG-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001490981733 1394391613 /nfs/dbraw/zinc/39/16/13/1394391613.db2.gz JRQSCUYEOYBLBV-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481537509 1394396834 /nfs/dbraw/zinc/39/68/34/1394396834.db2.gz IRDDZJMVLOXZBS-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001491083844 1394422222 /nfs/dbraw/zinc/42/22/22/1394422222.db2.gz XETJQKXHAAIZMZ-OTWHNJEPSA-N 2 0 349.563 3.170 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001491119977 1394438645 /nfs/dbraw/zinc/43/86/45/1394438645.db2.gz KHVMDCZSQWZLOP-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001491153293 1394452387 /nfs/dbraw/zinc/45/23/87/1394452387.db2.gz KBUWRZAMVWZJRB-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746222 1394491475 /nfs/dbraw/zinc/49/14/75/1394491475.db2.gz CFJFTFYBEWVKDQ-QFBILLFUSA-N 2 0 349.494 3.151 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001491253891 1394492752 /nfs/dbraw/zinc/49/27/52/1394492752.db2.gz WRMIAPZDQJMIGI-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1cccc(F)c1 ZINC001491272785 1394499599 /nfs/dbraw/zinc/49/95/99/1394499599.db2.gz DDSOJMAERVJMCY-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001491642358 1394523678 /nfs/dbraw/zinc/52/36/78/1394523678.db2.gz VTERIYRAUJXJAP-PXNSSMCTSA-N 2 0 343.515 3.274 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001481959717 1394620395 /nfs/dbraw/zinc/62/03/95/1394620395.db2.gz ATPHKNQIGOFYMX-SSLJAQGJSA-N 2 0 347.547 3.093 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001481999206 1394658137 /nfs/dbraw/zinc/65/81/37/1394658137.db2.gz ROUYMEHGXYXSEK-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001482228190 1394823132 /nfs/dbraw/zinc/82/31/32/1394823132.db2.gz CFBNCQRREKNROB-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C)C1 ZINC001482322605 1394893011 /nfs/dbraw/zinc/89/30/11/1394893011.db2.gz BSPNHBLTGGRKHR-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001482370419 1394933009 /nfs/dbraw/zinc/93/30/09/1394933009.db2.gz WQXZDQFYMUQHQT-MJGOQNOKSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001482422752 1394984558 /nfs/dbraw/zinc/98/45/58/1394984558.db2.gz GSCKPGBIQRYVFN-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001482429682 1394989600 /nfs/dbraw/zinc/98/96/00/1394989600.db2.gz SSRJIVYVYVNLJO-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001482431317 1394991609 /nfs/dbraw/zinc/99/16/09/1394991609.db2.gz AYDOWNBHOMBDRM-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001482431319 1394992294 /nfs/dbraw/zinc/99/22/94/1394992294.db2.gz AYDOWNBHOMBDRM-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001482485493 1395038784 /nfs/dbraw/zinc/03/87/84/1395038784.db2.gz VEIDXSNGFXCTLB-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954493 1395098185 /nfs/dbraw/zinc/09/81/85/1395098185.db2.gz GNRWKVWSRPZELA-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@]2(CC[NH+](CC3CCCC3)C2)C1)CC(C)(C)C ZINC001483848082 1395114746 /nfs/dbraw/zinc/11/47/46/1395114746.db2.gz MABRXVZAXNCIIR-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483911589 1395141299 /nfs/dbraw/zinc/14/12/99/1395141299.db2.gz KERHLEMNRZAHGW-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@H]1C ZINC001483915062 1395142946 /nfs/dbraw/zinc/14/29/46/1395142946.db2.gz CSHRHFOFROELBK-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001483931761 1395150242 /nfs/dbraw/zinc/15/02/42/1395150242.db2.gz QYTXDNFXCPQRCG-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC001483951375 1395159421 /nfs/dbraw/zinc/15/94/21/1395159421.db2.gz CKPAIWWBYNTTQT-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001484023192 1395194679 /nfs/dbraw/zinc/19/46/79/1395194679.db2.gz XRYQAAVRVGGZEG-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001484023040 1395195033 /nfs/dbraw/zinc/19/50/33/1395195033.db2.gz UMPOIHQDFZVUJU-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1=CCCCC1 ZINC001698977426 1406748394 /nfs/dbraw/zinc/74/83/94/1406748394.db2.gz JFGZPCBBNGQAKH-HXUWFJFHSA-N 2 0 349.563 3.339 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001484115329 1395259729 /nfs/dbraw/zinc/25/97/29/1395259729.db2.gz RXBQXCMZMMTZQY-NGXITPROSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001484138644 1395275547 /nfs/dbraw/zinc/27/55/47/1395275547.db2.gz ICAVABFSXYNKPK-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484138911 1395275631 /nfs/dbraw/zinc/27/56/31/1395275631.db2.gz RHARJNWJAIWPHO-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCCC2CCCC2)C1 ZINC001484151936 1395288209 /nfs/dbraw/zinc/28/82/09/1395288209.db2.gz HTBGLYVYNBOPGC-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484165968 1395304806 /nfs/dbraw/zinc/30/48/06/1395304806.db2.gz FDTPWCPGTOJKST-YZKSSJSGSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484170836 1395311885 /nfs/dbraw/zinc/31/18/85/1395311885.db2.gz ZMHMXTLTZBTMPS-YAQIIAKESA-N 2 0 349.563 3.293 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC(C)(C)C)C2 ZINC001484321494 1395339666 /nfs/dbraw/zinc/33/96/66/1395339666.db2.gz LNKIFGTXCOIAMD-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001484815912 1395549891 /nfs/dbraw/zinc/54/98/91/1395549891.db2.gz AAIXMWYBGJQKRR-GOSISDBHSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001484828496 1395566452 /nfs/dbraw/zinc/56/64/52/1395566452.db2.gz DKAUEYJDNSSBKX-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001485761745 1396138317 /nfs/dbraw/zinc/13/83/17/1396138317.db2.gz ZUFCOUWAMQCTHP-SREVYHEPSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001486208229 1396182413 /nfs/dbraw/zinc/18/24/13/1396182413.db2.gz OPTXMQXILRATQH-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001503200378 1396247314 /nfs/dbraw/zinc/24/73/14/1396247314.db2.gz ATQNWSQDVOLBSF-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H](C(=O)N1CCC(C[N@H+](CC)CCC(C)(C)C)CC1)[NH+](C)C ZINC001505399317 1396287158 /nfs/dbraw/zinc/28/71/58/1396287158.db2.gz HECBJQMJFNLOKW-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001505411455 1396295103 /nfs/dbraw/zinc/29/51/03/1396295103.db2.gz FHAZCSRFQKUEFR-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491964844 1396301189 /nfs/dbraw/zinc/30/11/89/1396301189.db2.gz CHZOMJQPODDJBW-MOPGFXCFSA-N 2 0 349.494 3.033 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001492078717 1396302726 /nfs/dbraw/zinc/30/27/26/1396302726.db2.gz VVDYRKPKOYHQRM-QGZVFWFLSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001492129634 1396306468 /nfs/dbraw/zinc/30/64/68/1396306468.db2.gz ROZZHMFEHMFICN-QUCCMNQESA-N 2 0 349.563 3.482 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494876843 1396505628 /nfs/dbraw/zinc/50/56/28/1396505628.db2.gz RGOPMUWVJRSJJU-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001495203814 1396524220 /nfs/dbraw/zinc/52/42/20/1396524220.db2.gz NWFXRUFNALZTBC-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H](C(=O)N1CCC2(CC[N@H+](CCCC(C)C)C2)CC1)[NH+](C)C ZINC001495602288 1396548240 /nfs/dbraw/zinc/54/82/40/1396548240.db2.gz IQXNMRYNSZJPMC-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCC2)C1 ZINC001495953489 1396576695 /nfs/dbraw/zinc/57/66/95/1396576695.db2.gz CUCHLHSXTSZZOQ-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496491643 1396709621 /nfs/dbraw/zinc/70/96/21/1396709621.db2.gz NVZDBYRQNDWUGR-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001497689614 1396784993 /nfs/dbraw/zinc/78/49/93/1396784993.db2.gz AIKKIZNKTDUOJG-HLTKQCFESA-N 2 0 349.563 3.338 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001689052214 1396847182 /nfs/dbraw/zinc/84/71/82/1396847182.db2.gz JZTZDKWTRGPUPR-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]CC2CC2)CC1 ZINC001689055595 1396855581 /nfs/dbraw/zinc/85/55/81/1396855581.db2.gz JUVKRLPOQOAQFX-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCCC3)[C@H]2C1(C)C ZINC001689146795 1396947375 /nfs/dbraw/zinc/94/73/75/1396947375.db2.gz NOIZVCMWXUNTLE-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001689180352 1396961110 /nfs/dbraw/zinc/96/11/10/1396961110.db2.gz LPZBEUICXVLROJ-ZWKOTPCHSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001498360507 1396975231 /nfs/dbraw/zinc/97/52/31/1396975231.db2.gz VQSFPTUDLNDRNP-PXNSSMCTSA-N 2 0 345.531 3.231 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001699023495 1406859205 /nfs/dbraw/zinc/85/92/05/1406859205.db2.gz UHLTYAYXENEVNC-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001689265536 1396997909 /nfs/dbraw/zinc/99/79/09/1396997909.db2.gz XCSHXBITBGWOAG-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001689271122 1397005126 /nfs/dbraw/zinc/00/51/26/1397005126.db2.gz CONYUSGMBPBAJS-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2)C1 ZINC001689272012 1397008052 /nfs/dbraw/zinc/00/80/52/1397008052.db2.gz VLOOTSSOVRAJMT-FQEVSTJZSA-N 2 0 345.531 3.279 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001689272317 1397008183 /nfs/dbraw/zinc/00/81/83/1397008183.db2.gz YHVDLOYVVUNQPK-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1C ZINC001689298491 1397024799 /nfs/dbraw/zinc/02/47/99/1397024799.db2.gz FIFDOPFEIGIFMF-CNGCZUSVSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001689296704 1397025253 /nfs/dbraw/zinc/02/52/53/1397025253.db2.gz WLSJFIGWXOZBNU-AEFFLSMTSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001689338423 1397042964 /nfs/dbraw/zinc/04/29/64/1397042964.db2.gz SBADKFHUNCMOEZ-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CC2)c1 ZINC001499249941 1397068110 /nfs/dbraw/zinc/06/81/10/1397068110.db2.gz XCJQHFMJSIMLPM-QGZVFWFLSA-N 2 0 343.515 3.087 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCCC(C)C)CC(C)(C)C1 ZINC001689365993 1403708037 /nfs/dbraw/zinc/70/80/37/1403708037.db2.gz SUJGQDNOIFMYNE-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001690029974 1404268619 /nfs/dbraw/zinc/26/86/19/1404268619.db2.gz PLUUWMYIBLFKRO-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CCc1cccc(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001690049380 1404281910 /nfs/dbraw/zinc/28/19/10/1404281910.db2.gz PBZFSBNMMKJNFH-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001690381326 1404513637 /nfs/dbraw/zinc/51/36/37/1404513637.db2.gz LYNCNZSRVHEYRS-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690409015 1404544006 /nfs/dbraw/zinc/54/40/06/1404544006.db2.gz DUOUVZNDQRGUJG-LLHWWHOWSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690413806 1404545288 /nfs/dbraw/zinc/54/52/88/1404545288.db2.gz KYYFMQKSQWPDSP-RDJZCZTQSA-N 2 0 342.487 3.131 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690421081 1404549189 /nfs/dbraw/zinc/54/91/89/1404549189.db2.gz LGNGNNSNBVCTHW-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1C/C=C/c1ccccc1)[NH+](C)C ZINC001690448828 1404573153 /nfs/dbraw/zinc/57/31/53/1404573153.db2.gz RKKWYJRUFUBCJV-UHNXPTMUSA-N 2 0 343.515 3.011 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690628382 1404663286 /nfs/dbraw/zinc/66/32/86/1404663286.db2.gz LUOOJAQCFPSLLY-FXAWDEMLSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001690650734 1404681807 /nfs/dbraw/zinc/68/18/07/1404681807.db2.gz QNPUUBUTZJQXLI-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001690708035 1404695028 /nfs/dbraw/zinc/69/50/28/1404695028.db2.gz IIVULGJHHPZIGZ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690785511 1404733260 /nfs/dbraw/zinc/73/32/60/1404733260.db2.gz UXCNGRAKKSXLQV-RTBURBONSA-N 2 0 335.536 3.090 10 0 EGAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001690867354 1404786034 /nfs/dbraw/zinc/78/60/34/1404786034.db2.gz SFVCBMARERBJGS-SJORKVTESA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CC(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCC1)C1CCC1 ZINC001690899145 1404807327 /nfs/dbraw/zinc/80/73/27/1404807327.db2.gz JHODGBKHCFNXSO-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690968137 1404874838 /nfs/dbraw/zinc/87/48/38/1404874838.db2.gz OAZGLQSYPHNHPB-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1=CCCCC1 ZINC001725502443 1426183458 /nfs/dbraw/zinc/18/34/58/1426183458.db2.gz VPESCWICHHEVMF-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691067915 1404995700 /nfs/dbraw/zinc/99/57/00/1404995700.db2.gz CLZLVVUUGGGUIM-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCC(C)CC1 ZINC001691105472 1405044373 /nfs/dbraw/zinc/04/43/73/1405044373.db2.gz CTHMGBWNVBPTEG-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691146786 1405080356 /nfs/dbraw/zinc/08/03/56/1405080356.db2.gz DHGNGWMQUPOPLS-VJANTYMQSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccsc1 ZINC001691194033 1405132201 /nfs/dbraw/zinc/13/22/01/1405132201.db2.gz KAFCOZQOBJLPBE-QZTJIDSGSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](CCC1CCCC1)C1CC1 ZINC001691237350 1405177763 /nfs/dbraw/zinc/17/77/63/1405177763.db2.gz YEFOFRVZDCXLCX-CALCHBBNSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CC1CCCCC1 ZINC001691306770 1405200243 /nfs/dbraw/zinc/20/02/43/1405200243.db2.gz WUNHRIDHEWWVKN-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001691360111 1405213344 /nfs/dbraw/zinc/21/33/44/1405213344.db2.gz OOXDDRCEKAIXIO-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001691411021 1405249292 /nfs/dbraw/zinc/24/92/92/1405249292.db2.gz XXSFZTOITRRSNX-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691411222 1405250041 /nfs/dbraw/zinc/25/00/41/1405250041.db2.gz DSUDNNDZQDHTJD-HPFJUIBNSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[C@H]2CC[N@H+](C)C2)[C@@H]1CCC[NH2+]CCC1CC1 ZINC001691411403 1405250322 /nfs/dbraw/zinc/25/03/22/1405250322.db2.gz LKWMTOUIPFECCJ-MISYRCLQSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001691470502 1405288437 /nfs/dbraw/zinc/28/84/37/1405288437.db2.gz KHSQDZOLZRDGJN-HCXYKTFWSA-N 2 0 335.536 3.068 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001691530523 1405324648 /nfs/dbraw/zinc/32/46/48/1405324648.db2.gz WYXGTBLORNCYHU-MXVIHJGJSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691586278 1405347378 /nfs/dbraw/zinc/34/73/78/1405347378.db2.gz XRYPBVBUZZUIJL-ZCNNSNEGSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@H]([NH2+]CC3CC3)C2)CCCCC1 ZINC001691626180 1405364440 /nfs/dbraw/zinc/36/44/40/1405364440.db2.gz WMNCFKQOCVANNJ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691626036 1405364511 /nfs/dbraw/zinc/36/45/11/1405364511.db2.gz SMHXJPSVBLFWFI-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691637026 1405373264 /nfs/dbraw/zinc/37/32/64/1405373264.db2.gz QXTVKWQGXUXYSV-ZSQQTYLHSA-N 2 0 337.552 3.290 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001691637025 1405373327 /nfs/dbraw/zinc/37/33/27/1405373327.db2.gz QXTVKWQGXUXYSV-YMHTTXFNSA-N 2 0 337.552 3.290 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001691683237 1405418698 /nfs/dbraw/zinc/41/86/98/1405418698.db2.gz RIJDZIFFSKKASN-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691726573 1405450153 /nfs/dbraw/zinc/45/01/53/1405450153.db2.gz BDIFPXZVYGDKFE-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001691732527 1405455296 /nfs/dbraw/zinc/45/52/96/1405455296.db2.gz JIYZVIYVDHEGQP-IBGZPJMESA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCCC1CCC1 ZINC001691738085 1405460577 /nfs/dbraw/zinc/46/05/77/1405460577.db2.gz HJXINHQYSQVCCM-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691793813 1405503444 /nfs/dbraw/zinc/50/34/44/1405503444.db2.gz CRQZRYFOGQTBAP-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001691852999 1405569582 /nfs/dbraw/zinc/56/95/82/1405569582.db2.gz NPTLXIXWRJSFKM-CEXWTWQISA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001691893333 1405616256 /nfs/dbraw/zinc/61/62/56/1405616256.db2.gz PAKUSMZMPTWWDN-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C1 ZINC001691935173 1405661345 /nfs/dbraw/zinc/66/13/45/1405661345.db2.gz LABCTRFRRRFTAK-CMKODMSKSA-N 2 0 345.531 3.272 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692012654 1405731654 /nfs/dbraw/zinc/73/16/54/1405731654.db2.gz IEMALARPSNZEPP-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001692092798 1405769235 /nfs/dbraw/zinc/76/92/35/1405769235.db2.gz MRTSHMWFCBRHRP-CEXWTWQISA-N 2 0 331.504 3.059 10 0 EGAERP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001692112021 1405776086 /nfs/dbraw/zinc/77/60/86/1405776086.db2.gz BLPDQTQUSPJXBH-FCGDIQPGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001692121740 1405784052 /nfs/dbraw/zinc/78/40/52/1405784052.db2.gz XJQGIGZGQAYVOC-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCC(=O)N1CCCCC[C@H]([NH2+]CC2CC2)C1)C1CCCCC1 ZINC001692123987 1405785573 /nfs/dbraw/zinc/78/55/73/1405785573.db2.gz HAQUNDCLMWTWGQ-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692157552 1405808743 /nfs/dbraw/zinc/80/87/43/1405808743.db2.gz NWUHCDADKMCBRK-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001692208456 1405843823 /nfs/dbraw/zinc/84/38/23/1405843823.db2.gz MMDRPGSBQPKEJQ-JISXSJDESA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CCC(C)C ZINC001692223375 1405855113 /nfs/dbraw/zinc/85/51/13/1405855113.db2.gz FXKCZAAJLBNILJ-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC(C)C)[NH+](CC)CC ZINC001692257491 1405885358 /nfs/dbraw/zinc/88/53/58/1405885358.db2.gz GDVVJKYYOPOKQI-ZWKOTPCHSA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001692257961 1405886386 /nfs/dbraw/zinc/88/63/86/1405886386.db2.gz YESSTEPMNANTJA-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@@H]2C1 ZINC001692261900 1405892273 /nfs/dbraw/zinc/89/22/73/1405892273.db2.gz HWBCVCRWAJFQKC-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001692368112 1405977435 /nfs/dbraw/zinc/97/74/35/1405977435.db2.gz ICCQMUKRKYOLSX-QACJDALUSA-N 2 0 347.547 3.329 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698601981 1406227822 /nfs/dbraw/zinc/22/78/22/1406227822.db2.gz XZTMABDXTPHVRT-MJGOQNOKSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001698607690 1406235828 /nfs/dbraw/zinc/23/58/28/1406235828.db2.gz BYGSTYDJWGZRHA-GOSISDBHSA-N 2 0 335.536 3.236 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732073614 1428323033 /nfs/dbraw/zinc/32/30/33/1428323033.db2.gz RDBIKNXSIHAIBB-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001732154554 1428397941 /nfs/dbraw/zinc/39/79/41/1428397941.db2.gz HTNWSXAYWQHODO-QWFCFKBJSA-N 2 0 345.531 3.141 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176361 1428422156 /nfs/dbraw/zinc/42/21/56/1428422156.db2.gz SUYUPSQIUKXDSN-WOJBJXKFSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200306 1428451079 /nfs/dbraw/zinc/45/10/79/1428451079.db2.gz XKGAUAOBFBEMLA-MOPGFXCFSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1CC2(CCC2)C1 ZINC001732220764 1428469176 /nfs/dbraw/zinc/46/91/76/1428469176.db2.gz WHGNQXKDWUPDFT-LJQANCHMSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001732223512 1428472087 /nfs/dbraw/zinc/47/20/87/1428472087.db2.gz UGWXFDFHRRPOSV-FQEVSTJZSA-N 2 0 341.499 3.164 10 0 EGAERP CC[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC(C)(C)C ZINC001732223275 1428472104 /nfs/dbraw/zinc/47/21/04/1428472104.db2.gz NLRQKYYKCVQGHY-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001732228735 1428476389 /nfs/dbraw/zinc/47/63/89/1428476389.db2.gz JAOLGSXGGGIMCF-GOSISDBHSA-N 2 0 349.563 3.314 10 0 EGAERP CCc1cccc(C[NH2+]CC2(NC(=O)C[N@H+](C)C(C)C)CCCC2)c1 ZINC001732236928 1428482901 /nfs/dbraw/zinc/48/29/01/1428482901.db2.gz HFTBRBYPINHOOS-UHFFFAOYSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1)c1ccc(F)cc1 ZINC001732238099 1428483763 /nfs/dbraw/zinc/48/37/63/1428483763.db2.gz YEWIRMGCRWRJDL-INIZCTEOSA-N 2 0 347.478 3.001 10 0 EGAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001732246571 1428490034 /nfs/dbraw/zinc/49/00/34/1428490034.db2.gz ZAOLQICWBVQRMD-FQEVSTJZSA-N 2 0 349.563 3.339 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CCC(C)(C)C)CCCC[C@H]1C ZINC001732261888 1428502381 /nfs/dbraw/zinc/50/23/81/1428502381.db2.gz OZNAEWVPIRRYRY-YLJYHZDGSA-N 2 0 339.568 3.419 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001732271379 1428507605 /nfs/dbraw/zinc/50/76/05/1428507605.db2.gz GHPNCQWEVZIDKE-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1)CC(C)(C)C ZINC001732310067 1428523847 /nfs/dbraw/zinc/52/38/47/1428523847.db2.gz LWDVMFSEQDEUKV-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP O=C(NCCC1CC[NH+](CC2CCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001732326013 1428534843 /nfs/dbraw/zinc/53/48/43/1428534843.db2.gz NMZFEUPDKGBDMN-WOJBJXKFSA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732328696 1428535560 /nfs/dbraw/zinc/53/55/60/1428535560.db2.gz GIPHFKRHTQUTLP-CQQBRXBZSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001732373652 1428553720 /nfs/dbraw/zinc/55/37/20/1428553720.db2.gz RDPLOGKIGWXTSX-KRWDZBQOSA-N 2 0 341.499 3.022 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001732500044 1428621232 /nfs/dbraw/zinc/62/12/32/1428621232.db2.gz NZSXUBHTAQLYTG-AEFFLSMTSA-N 2 0 349.519 3.362 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699100672 1412510297 /nfs/dbraw/zinc/51/02/97/1412510297.db2.gz RQRDYEVPGYXYSA-MRXNPFEDSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699125001 1412522351 /nfs/dbraw/zinc/52/23/51/1412522351.db2.gz CYSIPXFPSFLWBJ-CVEARBPZSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699140586 1412531419 /nfs/dbraw/zinc/53/14/19/1412531419.db2.gz LUGBMXDIKDOFMT-IAGOWNOFSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@H](CC[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699151455 1412537280 /nfs/dbraw/zinc/53/72/80/1412537280.db2.gz XWPCYYDMGKTKQK-QGZVFWFLSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699152457 1412537792 /nfs/dbraw/zinc/53/77/92/1412537792.db2.gz FAIGDLCBVYFULC-IBGZPJMESA-N 2 0 345.531 3.020 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001699152458 1412538144 /nfs/dbraw/zinc/53/81/44/1412538144.db2.gz FAIGDLCBVYFULC-LJQANCHMSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001699158917 1412543394 /nfs/dbraw/zinc/54/33/94/1412543394.db2.gz JUSFOWXEOLBXRG-IBGZPJMESA-N 2 0 345.531 3.164 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699200271 1412569561 /nfs/dbraw/zinc/56/95/61/1412569561.db2.gz CZGIYSVUIYBGGL-ULQDDVLXSA-N 2 0 349.494 3.055 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001699442896 1412772626 /nfs/dbraw/zinc/77/26/26/1412772626.db2.gz QZBVDKVQWRCXGL-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001699451853 1412792166 /nfs/dbraw/zinc/79/21/66/1412792166.db2.gz AOVTWUPCLMMQMW-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001699459114 1412810172 /nfs/dbraw/zinc/81/01/72/1412810172.db2.gz IGFGJKMXBMRZEV-YOEHRIQHSA-N 2 0 339.911 3.179 10 0 EGAERP CC[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@H]1[NH2+]CCC(C)C ZINC001699611216 1412975444 /nfs/dbraw/zinc/97/54/44/1412975444.db2.gz WDEYZNLFPMIEBN-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001699682237 1413076399 /nfs/dbraw/zinc/07/63/99/1413076399.db2.gz KIAIVIFUZIOEEV-AQNXPRMDSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001699697920 1413108900 /nfs/dbraw/zinc/10/89/00/1413108900.db2.gz VNRPMCDYVPXKLT-GIWCCYDRSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001732543417 1428704994 /nfs/dbraw/zinc/70/49/94/1428704994.db2.gz KUWSSAMGAVDMFB-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001699741165 1413152229 /nfs/dbraw/zinc/15/22/29/1413152229.db2.gz SSOXYANZKOFSQI-KQPGTDLCSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](C/C=C/c2ccccc2)CC1 ZINC001699776136 1413185851 /nfs/dbraw/zinc/18/58/51/1413185851.db2.gz YXONRVWQIZUWTM-DHZHZOJOSA-N 2 0 343.515 3.011 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC1CCCC1)C1CCCC1 ZINC001699793947 1413201761 /nfs/dbraw/zinc/20/17/61/1413201761.db2.gz WWDYWBHIYPWIHW-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1)[NH+](C)C ZINC001699796859 1413206281 /nfs/dbraw/zinc/20/62/81/1413206281.db2.gz QTGRYGNZNGXLGG-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699819017 1413238365 /nfs/dbraw/zinc/23/83/65/1413238365.db2.gz QBQZRHWOKJLVEY-XJDXJNMNSA-N 2 0 340.471 3.193 10 0 EGAERP CC(C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699841515 1413269980 /nfs/dbraw/zinc/26/99/80/1413269980.db2.gz HGIHANVUAWCWTK-HXUWFJFHSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001699850012 1413278938 /nfs/dbraw/zinc/27/89/38/1413278938.db2.gz WTFORWLPEJCPGS-CUWPLCDZSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@]1(C[NH2+]CC2CC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001699849484 1413278943 /nfs/dbraw/zinc/27/89/43/1413278943.db2.gz UIBUMCBQTUMRJZ-CTNGQTDRSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001699867638 1413308375 /nfs/dbraw/zinc/30/83/75/1413308375.db2.gz CDBXVPDBFJDLTN-CTNGQTDRSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001699876458 1413334934 /nfs/dbraw/zinc/33/49/34/1413334934.db2.gz YLACKDUFMSLEHK-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC(C)(C)C ZINC001700018265 1413464749 /nfs/dbraw/zinc/46/47/49/1413464749.db2.gz XSGNNCXXQTXCMC-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001700019077 1413465845 /nfs/dbraw/zinc/46/58/45/1413465845.db2.gz AXLIFZIECHOGHU-OAOPFVHKSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001700071129 1413486123 /nfs/dbraw/zinc/48/61/23/1413486123.db2.gz XUQFXZSWVGBHNV-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001700102763 1413520138 /nfs/dbraw/zinc/52/01/38/1413520138.db2.gz AOSNRXBQJJTGKB-QAQDUYKDSA-N 2 0 325.541 3.029 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)C)CC1 ZINC001700103861 1413521966 /nfs/dbraw/zinc/52/19/66/1413521966.db2.gz QUUOPEMEFUQAQG-GUDVDZBRSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCCn2ccnc2C)CC1 ZINC001700104936 1413523557 /nfs/dbraw/zinc/52/35/57/1413523557.db2.gz ZPTLWPCDGVFXLV-WGSAOQKQSA-N 2 0 346.519 3.203 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001700178430 1413588159 /nfs/dbraw/zinc/58/81/59/1413588159.db2.gz HYCGVXLEFHDEPU-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[N@H+](CCC2CCCCCC2)CC1 ZINC001700181559 1413595376 /nfs/dbraw/zinc/59/53/76/1413595376.db2.gz XJCSKLMFBJQZPW-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2cccc(F)c2)CC1 ZINC001700184848 1413603674 /nfs/dbraw/zinc/60/36/74/1413603674.db2.gz OXTJDDDZUAMYIZ-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700219272 1413664336 /nfs/dbraw/zinc/66/43/36/1413664336.db2.gz BLDVITIBHYWRFY-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C(C)C)[NH+](CC)CC ZINC001700226657 1413681115 /nfs/dbraw/zinc/68/11/15/1413681115.db2.gz KBGRWSBRPGBDRN-UXHICEINSA-N 2 0 345.531 3.058 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001700228812 1413685405 /nfs/dbraw/zinc/68/54/05/1413685405.db2.gz GMRJUMXKQXCTOG-ICSRJNTNSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]C[C@@H](C)CC)CC2)C1 ZINC001700282550 1413728557 /nfs/dbraw/zinc/72/85/57/1413728557.db2.gz TZCPOPFSTCQQDC-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001700323954 1413792057 /nfs/dbraw/zinc/79/20/57/1413792057.db2.gz PMMQHITUBQQSHP-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCCC1 ZINC001732571406 1428766543 /nfs/dbraw/zinc/76/65/43/1428766543.db2.gz CZQMFRKRGZTSPV-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001700401197 1413935251 /nfs/dbraw/zinc/93/52/51/1413935251.db2.gz QWYCRIYZFVNWGX-KGLIPLIRSA-N 2 0 339.549 3.342 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700406661 1413944014 /nfs/dbraw/zinc/94/40/14/1413944014.db2.gz YCDMTBOSSOFLDF-KBPBESRZSA-N 2 0 330.476 3.175 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001700411185 1413953407 /nfs/dbraw/zinc/95/34/07/1413953407.db2.gz DIGCKXCYXFNDDQ-QZTJIDSGSA-N 2 0 345.531 3.161 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001700431835 1413994239 /nfs/dbraw/zinc/99/42/39/1413994239.db2.gz SNRKORMQDMOFLQ-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(C)(C)C)[NH+]1CCCCC1 ZINC001700487135 1414134678 /nfs/dbraw/zinc/13/46/78/1414134678.db2.gz IOYXGOQZDDGFGI-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001700501470 1414149390 /nfs/dbraw/zinc/14/93/90/1414149390.db2.gz CTLVPDRXMITEJQ-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[NH2+]CC1(NC(=O)CC[N@H+](C)C2CCCCC2)CCCCC1 ZINC001700514029 1414164505 /nfs/dbraw/zinc/16/45/05/1414164505.db2.gz KNGLAMPXSPRPHH-UHFFFAOYSA-N 2 0 337.552 3.460 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700517669 1414170715 /nfs/dbraw/zinc/17/07/15/1414170715.db2.gz ODKBBDZBKFPSHV-VQTJNVASSA-N 2 0 347.547 3.093 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700521882 1414177855 /nfs/dbraw/zinc/17/78/55/1414177855.db2.gz JVTNTGJYUASLRK-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700566729 1414234905 /nfs/dbraw/zinc/23/49/05/1414234905.db2.gz FIGUWRNYNQCRMV-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCC[C@@H](C)C2)C1 ZINC001700645238 1414310441 /nfs/dbraw/zinc/31/04/41/1414310441.db2.gz CMYMKVPNJKOCIW-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001700682415 1414336327 /nfs/dbraw/zinc/33/63/27/1414336327.db2.gz QJVGHPOFBYXRSJ-MJGOQNOKSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001700769085 1414445985 /nfs/dbraw/zinc/44/59/85/1414445985.db2.gz XSYCWJQLDLHMPF-WWDZGPRUSA-N 2 0 339.568 3.227 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC[NH+](C)CCC2=CCCCC2)C1 ZINC001732590187 1428811484 /nfs/dbraw/zinc/81/14/84/1428811484.db2.gz YBDUVRIVVHWZQY-HXUWFJFHSA-N 2 0 349.563 3.389 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCC1)CC2)CC(C)(C)C ZINC001700863519 1414513581 /nfs/dbraw/zinc/51/35/81/1414513581.db2.gz NYAXHPJPVOIEQM-GHTZIAJQSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)C(C)C)C(=O)CC[NH+](C)C1CCCCC1 ZINC001700972516 1414600267 /nfs/dbraw/zinc/60/02/67/1414600267.db2.gz KOHQXEISHPQSQL-UHFFFAOYSA-N 2 0 325.541 3.218 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001701007413 1414664323 /nfs/dbraw/zinc/66/43/23/1414664323.db2.gz XOWUCJTVQDWWDU-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001701010348 1414669269 /nfs/dbraw/zinc/66/92/69/1414669269.db2.gz YAUCWOBCPABCOM-GGVAOPBYSA-N 2 0 349.563 3.434 10 0 EGAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001732597106 1428837254 /nfs/dbraw/zinc/83/72/54/1428837254.db2.gz HFNKTIXZPSVPSZ-QZTJIDSGSA-N 2 0 345.531 3.012 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001732628970 1428891216 /nfs/dbraw/zinc/89/12/16/1428891216.db2.gz WORYXUVCWUNOHL-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001732628975 1428891464 /nfs/dbraw/zinc/89/14/64/1428891464.db2.gz WORYXUVCWUNOHL-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001732703849 1428917002 /nfs/dbraw/zinc/91/70/02/1428917002.db2.gz ZGWWVGVPOZADEU-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)C[N@H+](C)CC(C)(C)C ZINC001732796609 1428976975 /nfs/dbraw/zinc/97/69/75/1428976975.db2.gz ARDGPQKLCCLRKW-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732806542 1428984696 /nfs/dbraw/zinc/98/46/96/1428984696.db2.gz GTGQENMYBUKULW-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001732812465 1428990289 /nfs/dbraw/zinc/99/02/89/1428990289.db2.gz NYFBHHUVEBKKEY-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](C(=O)NC/C=C\C[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001732907831 1429041178 /nfs/dbraw/zinc/04/11/78/1429041178.db2.gz DFQZMZAQBMNRHK-QULHZPMSSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732959269 1429083211 /nfs/dbraw/zinc/08/32/11/1429083211.db2.gz YNKSYCVODOARJR-MJGOQNOKSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001732983038 1429109918 /nfs/dbraw/zinc/10/99/18/1429109918.db2.gz ZSPNHBRMPBYOCH-IAGOWNOFSA-N 2 0 331.504 3.061 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CCCCC1)c1ccccc1 ZINC001733019523 1429138771 /nfs/dbraw/zinc/13/87/71/1429138771.db2.gz WUUAOMRVUMTLMK-FXAWDEMLSA-N 2 0 345.531 3.354 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001707076460 1417187531 /nfs/dbraw/zinc/18/75/31/1417187531.db2.gz ZDKQIRVUKUXZGF-LFGUQSLTSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001707078025 1417188464 /nfs/dbraw/zinc/18/84/64/1417188464.db2.gz RNMONUMERXOAPH-INDMIFKZSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001707124352 1417210847 /nfs/dbraw/zinc/21/08/47/1417210847.db2.gz KHKFMVUGIYFQNM-KRWDZBQOSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707163496 1417226219 /nfs/dbraw/zinc/22/62/19/1417226219.db2.gz SGSHDWSURNXMAI-XZZFYQAUSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCCC3)[C@@H]2C1(C)C ZINC001707184698 1417234588 /nfs/dbraw/zinc/23/45/88/1417234588.db2.gz IJKRIVQNFFWKBU-SXLOBPIMSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCCC1CCC1 ZINC001707204219 1417243873 /nfs/dbraw/zinc/24/38/73/1417243873.db2.gz OFHPZQFFFWOOAB-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707239807 1417260131 /nfs/dbraw/zinc/26/01/31/1417260131.db2.gz DAYVKBLINRMXSD-MOPGFXCFSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001707272810 1417279254 /nfs/dbraw/zinc/27/92/54/1417279254.db2.gz JDWZVFKAVNUVAI-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001707279504 1417287443 /nfs/dbraw/zinc/28/74/43/1417287443.db2.gz ZLEGMTANUFHENZ-GLCUZYPYSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001707282891 1417294372 /nfs/dbraw/zinc/29/43/72/1417294372.db2.gz ZFQZYYVICURCBL-HMTUNPETSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC(C)(C)C ZINC001707463616 1417365214 /nfs/dbraw/zinc/36/52/14/1417365214.db2.gz AXJFKHNDOBBOEN-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001712948527 1417508267 /nfs/dbraw/zinc/50/82/67/1417508267.db2.gz ZRBBGCHYRPFDQY-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1CC2(CCC2)C1 ZINC001713031421 1417581881 /nfs/dbraw/zinc/58/18/81/1417581881.db2.gz RJVGCFLMBSIFNP-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733054018 1429195505 /nfs/dbraw/zinc/19/55/05/1429195505.db2.gz LVSFQPCPOHIVDI-AEFFLSMTSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001713108562 1417669170 /nfs/dbraw/zinc/66/91/70/1417669170.db2.gz MMEIROLVEPLXFD-UYAOXDASSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001713108560 1417669183 /nfs/dbraw/zinc/66/91/83/1417669183.db2.gz MMEIROLVEPLXFD-QUCCMNQESA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001713112335 1417674904 /nfs/dbraw/zinc/67/49/04/1417674904.db2.gz OPZZJCWABZUSBF-SFHVURJKSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH+](C)CCCC(C)(C)C)C1 ZINC001713137008 1417720052 /nfs/dbraw/zinc/72/00/52/1417720052.db2.gz SIQNESMGPVXIJQ-GOSISDBHSA-N 2 0 339.568 3.323 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713230704 1417817700 /nfs/dbraw/zinc/81/77/00/1417817700.db2.gz INCHKXGYIYPSRC-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001713253579 1417847467 /nfs/dbraw/zinc/84/74/67/1417847467.db2.gz SSACHNUBMUKXOO-ZWKOTPCHSA-N 2 0 349.544 3.093 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001713254223 1417850128 /nfs/dbraw/zinc/85/01/28/1417850128.db2.gz YWSIDRMAOFDZHQ-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001713257723 1417860975 /nfs/dbraw/zinc/86/09/75/1417860975.db2.gz ISHLQYPPTQALQO-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001713278447 1417901763 /nfs/dbraw/zinc/90/17/63/1417901763.db2.gz DXVHXCBVBLODOZ-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713397265 1418015097 /nfs/dbraw/zinc/01/50/97/1418015097.db2.gz IOTJYDZQSNHUFR-RBUKOAKNSA-N 2 0 349.494 3.033 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001713416348 1418040394 /nfs/dbraw/zinc/04/03/94/1418040394.db2.gz NHFAOYMZUYJYSY-QZTJIDSGSA-N 2 0 345.531 3.191 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001713434823 1418064825 /nfs/dbraw/zinc/06/48/25/1418064825.db2.gz JANXFZMPSAGCCK-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713538306 1418294165 /nfs/dbraw/zinc/29/41/65/1418294165.db2.gz IOPKLCVAQZJWPK-ASIGSXEYSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713541752 1418303922 /nfs/dbraw/zinc/30/39/22/1418303922.db2.gz NNROVLPVSHAXIA-BGEOSOQGSA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001713558790 1418354249 /nfs/dbraw/zinc/35/42/49/1418354249.db2.gz UYELVVBCSNBRBO-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001733127895 1429253919 /nfs/dbraw/zinc/25/39/19/1429253919.db2.gz CQRHVGKZTFLYKT-MJGOQNOKSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@H]([NH2+]CC1CC2(CCC2)C1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001713680294 1418432260 /nfs/dbraw/zinc/43/22/60/1418432260.db2.gz IVCHOKNCABOLNM-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001713702864 1418461387 /nfs/dbraw/zinc/46/13/87/1418461387.db2.gz QBIVAZVFDINPTB-RTBURBONSA-N 2 0 331.504 3.106 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]C/C=C\c1ccccc1 ZINC001733146883 1429262284 /nfs/dbraw/zinc/26/22/84/1429262284.db2.gz RKHUXLUCFDVWJX-OFIWPEFUSA-N 2 0 343.515 3.011 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001713722434 1418497516 /nfs/dbraw/zinc/49/75/16/1418497516.db2.gz MVNXOFHIPUIOEC-FQEVSTJZSA-N 2 0 345.531 3.148 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713751384 1418553109 /nfs/dbraw/zinc/55/31/09/1418553109.db2.gz UBZQOUQXNZMORY-AZUAARDMSA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001713764944 1418577083 /nfs/dbraw/zinc/57/70/83/1418577083.db2.gz WDTJKDSYNWQONE-PLNGDYQASA-N 2 0 347.547 3.142 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713889401 1418685442 /nfs/dbraw/zinc/68/54/42/1418685442.db2.gz OBBNGRFAOXSDMU-PMACEKPBSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001713892382 1418689091 /nfs/dbraw/zinc/68/90/91/1418689091.db2.gz WOODOSLWSWFLID-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CC(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713926590 1418718407 /nfs/dbraw/zinc/71/84/07/1418718407.db2.gz PKUJCCIZIUSABX-SFHVURJKSA-N 2 0 343.515 3.062 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713975810 1418756300 /nfs/dbraw/zinc/75/63/00/1418756300.db2.gz NGCWGQKXLGDISZ-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001733180508 1429282762 /nfs/dbraw/zinc/28/27/62/1429282762.db2.gz HWTKNVMAHPKSTD-SZMVWBNQSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714142188 1418944338 /nfs/dbraw/zinc/94/43/38/1418944338.db2.gz QBWAYORFPKRIOI-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150061 1418956066 /nfs/dbraw/zinc/95/60/66/1418956066.db2.gz JILVXXHINRTJNL-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163771 1418974227 /nfs/dbraw/zinc/97/42/27/1418974227.db2.gz WFOHPXBHXUCBFQ-PXNSSMCTSA-N 2 0 337.552 3.170 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@](C)(C[NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001714176533 1418984376 /nfs/dbraw/zinc/98/43/76/1418984376.db2.gz PZQOQZMBBHNJLL-RXVVDRJESA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+](C)C ZINC001714188286 1418995003 /nfs/dbraw/zinc/99/50/03/1418995003.db2.gz LOSPKLKFYQLLLD-GHTZIAJQSA-N 2 0 349.563 3.483 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CCC3CCCCC3)C2)C1 ZINC001714238997 1419028389 /nfs/dbraw/zinc/02/83/89/1419028389.db2.gz KBHNFFQDLJXYAE-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240391 1419029092 /nfs/dbraw/zinc/02/90/92/1419029092.db2.gz KQQWSHVHFNJIJJ-YLJYHZDGSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCCC1 ZINC001714242310 1419030715 /nfs/dbraw/zinc/03/07/15/1419030715.db2.gz ZFKIUSGOHBPOAH-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714264516 1419046478 /nfs/dbraw/zinc/04/64/78/1419046478.db2.gz PRQWGMKIOHBXOX-XJDXJNMNSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001733201246 1429305917 /nfs/dbraw/zinc/30/59/17/1429305917.db2.gz PFHMBLGOEHOLTK-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC(CC[NH2+]CC3CCCC3)CC2)CC1 ZINC001714287823 1419066083 /nfs/dbraw/zinc/06/60/83/1419066083.db2.gz XPILIJATQOMFQW-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001714307298 1419087225 /nfs/dbraw/zinc/08/72/25/1419087225.db2.gz WMLICADTDOCYIW-OOAFSNHKSA-N 2 0 335.536 3.090 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001714309738 1419090250 /nfs/dbraw/zinc/09/02/50/1419090250.db2.gz QHUUIQFDGJBWKK-PXNSSMCTSA-N 2 0 345.531 3.279 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001714330780 1419110797 /nfs/dbraw/zinc/11/07/97/1419110797.db2.gz BSAVRRWVZLDEMA-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714403754 1419146321 /nfs/dbraw/zinc/14/63/21/1419146321.db2.gz PJBYVGQXKHZPMR-IAGOWNOFSA-N 2 0 342.487 3.464 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714410577 1419149933 /nfs/dbraw/zinc/14/99/33/1419149933.db2.gz GWAHOTSOCYZULM-XOIGSVRCSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714454707 1419187459 /nfs/dbraw/zinc/18/74/59/1419187459.db2.gz QONCNOJNTXFDHP-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001714492955 1419216736 /nfs/dbraw/zinc/21/67/36/1419216736.db2.gz BGQBFTNYQICYGR-DUMMIQTOSA-N 2 0 335.536 3.234 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCCC(C)(C)C)CCCC2)CCC1 ZINC001714496801 1419221146 /nfs/dbraw/zinc/22/11/46/1419221146.db2.gz FDSGQHLXGMVJQJ-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714536025 1419262218 /nfs/dbraw/zinc/26/22/18/1419262218.db2.gz FQIIXRQGEYQRIR-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714754008 1419495306 /nfs/dbraw/zinc/49/53/06/1419495306.db2.gz WWTKCZIECNUSBY-QFBILLFUSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001714813200 1419524250 /nfs/dbraw/zinc/52/42/50/1419524250.db2.gz FQGPDJCPWVPMFW-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](F)CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001714840675 1419552920 /nfs/dbraw/zinc/55/29/20/1419552920.db2.gz XICWZYDRTNVSOU-WMZOPIPTSA-N 2 0 349.494 3.056 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714871377 1419601746 /nfs/dbraw/zinc/60/17/46/1419601746.db2.gz XZOXXRZMRDKIAA-WBVHZDCISA-N 2 0 342.487 3.131 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH+](C)CCC3CCCC3)C2)CC[N@@H+]1C ZINC001714895710 1419635678 /nfs/dbraw/zinc/63/56/78/1419635678.db2.gz MEODZEXRTMEHQR-HSALFYBXSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001714915148 1419664855 /nfs/dbraw/zinc/66/48/55/1419664855.db2.gz ZCNAAQBPEUFOAK-ROUKRRSUSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@H](C)C[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001715103404 1419844616 /nfs/dbraw/zinc/84/46/16/1419844616.db2.gz PLEDPBDYQRTVLV-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001715161003 1419902429 /nfs/dbraw/zinc/90/24/29/1419902429.db2.gz LQIJLCSYQZSKAA-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715210414 1419943780 /nfs/dbraw/zinc/94/37/80/1419943780.db2.gz ODKCUFIHZXIXQA-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715215887 1419948051 /nfs/dbraw/zinc/94/80/51/1419948051.db2.gz UYXZNRQCPVYTFR-HKVCONOFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001715223628 1419957499 /nfs/dbraw/zinc/95/74/99/1419957499.db2.gz QUHFXSJDLJDGOP-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001715301454 1420009313 /nfs/dbraw/zinc/00/93/13/1420009313.db2.gz DOXJTAIRTUGMSH-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715326319 1420033480 /nfs/dbraw/zinc/03/34/80/1420033480.db2.gz INUXJKYNKSHNFB-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715413810 1420108783 /nfs/dbraw/zinc/10/87/83/1420108783.db2.gz JGKDMQCAMUMNSK-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1c(C(=O)NC[C@@H]([NH2+]CC2CCCC2)C(C)C)ccc2c[nH+]cn21 ZINC001715491376 1420173174 /nfs/dbraw/zinc/17/31/74/1420173174.db2.gz DVNKRUZHZUHDEZ-LJQANCHMSA-N 2 0 342.487 3.177 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001715494706 1420176227 /nfs/dbraw/zinc/17/62/27/1420176227.db2.gz XMHXOIMETWGKTP-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCCC(C)(C)C ZINC001715507665 1420191002 /nfs/dbraw/zinc/19/10/02/1420191002.db2.gz PXVYTINTRWROGE-PXNSSMCTSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715531048 1420221639 /nfs/dbraw/zinc/22/16/39/1420221639.db2.gz AAWRVYSUURSLJE-GOSISDBHSA-N 2 0 325.541 3.077 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001715547763 1420244483 /nfs/dbraw/zinc/24/44/83/1420244483.db2.gz AGAWMMXQYCHXFT-ROUUACIJSA-N 2 0 335.536 3.070 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001715557209 1420251056 /nfs/dbraw/zinc/25/10/56/1420251056.db2.gz CFNMRVPJTGEYLO-GOEBONIOSA-N 2 0 337.533 3.098 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001715558545 1420251969 /nfs/dbraw/zinc/25/19/69/1420251969.db2.gz KLDJHDKKMRZPRP-SJORKVTESA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715624769 1420270063 /nfs/dbraw/zinc/27/00/63/1420270063.db2.gz XKTLKABUTOFDKV-PMACEKPBSA-N 2 0 349.563 3.480 10 0 EGAERP C[C@@H](CC[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715656168 1420281107 /nfs/dbraw/zinc/28/11/07/1420281107.db2.gz OPXXUTZRNSBGKZ-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001715861973 1420371839 /nfs/dbraw/zinc/37/18/39/1420371839.db2.gz GOFKPSRSVUANGE-LXXRFIIISA-N 2 0 339.483 3.115 10 0 EGAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC1CCCCCC1)[NH+]1CCCCCC1 ZINC001715874883 1420378783 /nfs/dbraw/zinc/37/87/83/1420378783.db2.gz FAUPIKADAQFNCE-OLHLWXQYSA-N 2 0 349.563 3.483 10 0 EGAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001715941265 1420411169 /nfs/dbraw/zinc/41/11/69/1420411169.db2.gz XBBLTOGFAHHDCC-CQSZACIVSA-N 2 0 330.476 3.177 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001715952269 1420418784 /nfs/dbraw/zinc/41/87/84/1420418784.db2.gz FVGGLRFSPJTWHS-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001716021867 1420476733 /nfs/dbraw/zinc/47/67/33/1420476733.db2.gz CDYIDUMZPRMLRD-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716045630 1420509070 /nfs/dbraw/zinc/50/90/70/1420509070.db2.gz RGKZYSVZVRBDEP-ROUUACIJSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716140777 1420539296 /nfs/dbraw/zinc/53/92/96/1420539296.db2.gz BPIDXEXAEOTWCG-SQGPQFPESA-N 2 0 345.531 3.135 10 0 EGAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716221272 1420571145 /nfs/dbraw/zinc/57/11/45/1420571145.db2.gz RDWGJDLDHAYMPP-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001733265134 1429423122 /nfs/dbraw/zinc/42/31/22/1429423122.db2.gz NDLQSBAEDVTOLO-UHFFFAOYSA-N 2 0 347.547 3.071 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716456230 1420670549 /nfs/dbraw/zinc/67/05/49/1420670549.db2.gz CDIOHPYPDTWHFI-INIZCTEOSA-N 2 0 331.504 3.036 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001716465620 1420678279 /nfs/dbraw/zinc/67/82/79/1420678279.db2.gz DWAZLKYQIXKVKY-JXFKEZNVSA-N 2 0 343.515 3.033 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001716509232 1420741092 /nfs/dbraw/zinc/74/10/92/1420741092.db2.gz YUXPSYPBEOHEBH-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001716638122 1420795590 /nfs/dbraw/zinc/79/55/90/1420795590.db2.gz WPKHOLUINCBFHG-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001733273735 1429436573 /nfs/dbraw/zinc/43/65/73/1429436573.db2.gz XBFLEUNKRQDWSF-FTVQKVBOSA-N 2 0 347.547 3.138 10 0 EGAERP CC[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccc(C(C)C)cc2)CC1)[NH+](C)C ZINC001716685916 1420839484 /nfs/dbraw/zinc/83/94/84/1420839484.db2.gz QVCHTFKIHHCMHK-VQIMIIECSA-N 2 0 345.531 3.450 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001716704568 1420859005 /nfs/dbraw/zinc/85/90/05/1420859005.db2.gz WVJBUIFCIQLZQK-QUCCMNQESA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001716707828 1420861937 /nfs/dbraw/zinc/86/19/37/1420861937.db2.gz FQSDTSZJIYLDMQ-QBUWPKIASA-N 2 0 347.547 3.163 10 0 EGAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CCCCCC1 ZINC001716713723 1420867623 /nfs/dbraw/zinc/86/76/23/1420867623.db2.gz OXQUEYJJMJUVHQ-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C[C@@H]1C ZINC001716771252 1420915001 /nfs/dbraw/zinc/91/50/01/1420915001.db2.gz TUOJHJKMWQAMEQ-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)CC[NH+](C)C)CC1 ZINC001716796861 1420929986 /nfs/dbraw/zinc/92/99/86/1420929986.db2.gz KCKRVBHSTAILAG-SFHVURJKSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716798749 1420931810 /nfs/dbraw/zinc/93/18/10/1420931810.db2.gz FBDWOKDZADOVHU-HDICACEKSA-N 2 0 347.547 3.330 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001716798966 1420932322 /nfs/dbraw/zinc/93/23/22/1420932322.db2.gz KSVCZMGIUNYLDR-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)c1sccc1C[NH+](C)C)C1CCCC1 ZINC001716817250 1420943685 /nfs/dbraw/zinc/94/36/85/1420943685.db2.gz HKHFAWQOADZVIW-INIZCTEOSA-N 2 0 337.533 3.098 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCCC2CCC2)C2CCCC2)CC[N@@H+]1C ZINC001716817795 1420944045 /nfs/dbraw/zinc/94/40/45/1420944045.db2.gz PEYGTAFERRZKOC-NSISKUIASA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@]2(CC[N@H+](CCC3CC3)C2)C1 ZINC001716830418 1420957709 /nfs/dbraw/zinc/95/77/09/1420957709.db2.gz PBXIBLDOMCNFJM-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716850413 1420980556 /nfs/dbraw/zinc/98/05/56/1420980556.db2.gz MTGSKTSHIGAXAE-GHTZIAJQSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716866467 1420995546 /nfs/dbraw/zinc/99/55/46/1420995546.db2.gz CUJVGTGMOQNXBH-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCC3)C2)CC1 ZINC001716879369 1421004276 /nfs/dbraw/zinc/00/42/76/1421004276.db2.gz XNIZEHYLUHAATP-NRFANRHFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716984250 1421061417 /nfs/dbraw/zinc/06/14/17/1421061417.db2.gz FVTHKOBLUWXBBW-HKUYNNGSSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717007072 1421074987 /nfs/dbraw/zinc/07/49/87/1421074987.db2.gz OKMMRKYKVPNUNB-UXHICEINSA-N 2 0 343.515 3.030 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001717038116 1421092626 /nfs/dbraw/zinc/09/26/26/1421092626.db2.gz NVACPSAORCQEOE-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717038646 1421093335 /nfs/dbraw/zinc/09/33/35/1421093335.db2.gz QCJVBTVQKLDOBW-YZPMEYCISA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001717083918 1421103181 /nfs/dbraw/zinc/10/31/81/1421103181.db2.gz DOONUZKJQIWUSZ-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@H](C)[NH2+]CC2CCCC2)cc1 ZINC001717118377 1421122966 /nfs/dbraw/zinc/12/29/66/1421122966.db2.gz VBTOKRJARZRYGR-KRWDZBQOSA-N 2 0 345.531 3.484 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717126052 1421128195 /nfs/dbraw/zinc/12/81/95/1421128195.db2.gz YLWWLTVKJSUPPV-SAABIXHNSA-N 2 0 337.552 3.027 10 0 EGAERP CCC(CC)C[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001717143396 1421136091 /nfs/dbraw/zinc/13/60/91/1421136091.db2.gz IAGJEHPEZSOYJJ-UHFFFAOYSA-N 2 0 345.531 3.049 10 0 EGAERP CCC[NH+]1CCC(CCCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717242776 1421211221 /nfs/dbraw/zinc/21/12/21/1421211221.db2.gz MPFXEGXNDCGXFN-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001717248082 1421219562 /nfs/dbraw/zinc/21/95/62/1421219562.db2.gz UPARBLRPLIRSQI-OAQYLSRUSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001717304363 1421246030 /nfs/dbraw/zinc/24/60/30/1421246030.db2.gz COROAGZLODQVLS-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001717332288 1421267162 /nfs/dbraw/zinc/26/71/62/1421267162.db2.gz SKXBSXGDYIRCQL-QZTJIDSGSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)[C@@H](C)C1 ZINC001717338818 1421276856 /nfs/dbraw/zinc/27/68/56/1421276856.db2.gz ATUAFCCBHHUUSP-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001717340832 1421278069 /nfs/dbraw/zinc/27/80/69/1421278069.db2.gz HDRJBUNOXDZOSK-JENIJYKNSA-N 2 0 333.520 3.189 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001717358993 1421293908 /nfs/dbraw/zinc/29/39/08/1421293908.db2.gz QYJKLOUCWZUDCQ-FHWLQOOXSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001717376510 1421318738 /nfs/dbraw/zinc/31/87/38/1421318738.db2.gz SOECEFMSDXSRAM-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCC2)cc1C ZINC001717442541 1421371674 /nfs/dbraw/zinc/37/16/74/1421371674.db2.gz PTEDFPGNBSRGQA-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1)[NH+](C)C ZINC001717524111 1421459887 /nfs/dbraw/zinc/45/98/87/1421459887.db2.gz QLUUUVWYVBSCSV-GOSISDBHSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001717525699 1421461280 /nfs/dbraw/zinc/46/12/80/1421461280.db2.gz ZVEMIRTWNMEQRG-SFHVURJKSA-N 2 0 337.552 3.460 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001717539462 1421478689 /nfs/dbraw/zinc/47/86/89/1421478689.db2.gz WCJOWLYBJVKTQQ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2CC2CCCCC2)C1 ZINC001717539420 1421478935 /nfs/dbraw/zinc/47/89/35/1421478935.db2.gz VGUIPOVYDFWBTD-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001717552496 1421489882 /nfs/dbraw/zinc/48/98/82/1421489882.db2.gz JMNKPAPIWVSEQA-CVEARBPZSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001717561129 1421497122 /nfs/dbraw/zinc/49/71/22/1421497122.db2.gz ZCNIBKMLNMVJMZ-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCC[NH+]3C(C)C)[C@@H]2C1 ZINC001717599192 1421522415 /nfs/dbraw/zinc/52/24/15/1421522415.db2.gz BNTTVRIOFBVXCM-YSTOQKLRSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717647346 1421549150 /nfs/dbraw/zinc/54/91/50/1421549150.db2.gz QVMBSPVZAKYEFJ-QWFCFKBJSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001717703365 1421577328 /nfs/dbraw/zinc/57/73/28/1421577328.db2.gz GPXBMWDDADYEHA-GOSISDBHSA-N 2 0 345.531 3.239 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001717756437 1421619762 /nfs/dbraw/zinc/61/97/62/1421619762.db2.gz FLWMEBZVDZMDBV-HUUCEWRRSA-N 2 0 339.911 3.178 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001717804779 1421631611 /nfs/dbraw/zinc/63/16/11/1421631611.db2.gz IGTKJCWQBHAZPU-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001717830469 1421643114 /nfs/dbraw/zinc/64/31/14/1421643114.db2.gz SXRQMPGYYRDKSV-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001717854932 1421667088 /nfs/dbraw/zinc/66/70/88/1421667088.db2.gz AHIBWOGNZPUYGN-WLMAVBAVSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717870066 1421679211 /nfs/dbraw/zinc/67/92/11/1421679211.db2.gz CWJRYPQZXFGQIO-WYNBNGFRSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001717874223 1421681786 /nfs/dbraw/zinc/68/17/86/1421681786.db2.gz AEOAYGAQOMZGNP-MSOLQXFVSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001717952407 1421723501 /nfs/dbraw/zinc/72/35/01/1421723501.db2.gz WCPLBHGCMWNIGH-UHFFFAOYSA-N 2 0 337.552 3.242 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C)C1 ZINC001717964657 1421735934 /nfs/dbraw/zinc/73/59/34/1421735934.db2.gz AYZPYRWLYSBYIH-ZWKOTPCHSA-N 2 0 339.568 3.275 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001717996651 1421764754 /nfs/dbraw/zinc/76/47/54/1421764754.db2.gz MWJJXTVMEVOUKJ-UHFFFAOYSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001717997256 1421764967 /nfs/dbraw/zinc/76/49/67/1421764967.db2.gz LKKITYOUBDSMQV-VIQWUECVSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001733323669 1429509034 /nfs/dbraw/zinc/50/90/34/1429509034.db2.gz AZWAPZALMXLFGF-KBSZCIAZSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001733327320 1429512735 /nfs/dbraw/zinc/51/27/35/1429512735.db2.gz NCKCDMBBRYPCNS-SJORKVTESA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001733358796 1429541229 /nfs/dbraw/zinc/54/12/29/1429541229.db2.gz UEYWAIBJAJLPAI-ZMBJWTFHSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)C1CCC1 ZINC001733380325 1429565025 /nfs/dbraw/zinc/56/50/25/1429565025.db2.gz OPYRLBJTBMCYQD-HXUWFJFHSA-N 2 0 347.547 3.236 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001733386025 1429573362 /nfs/dbraw/zinc/57/33/62/1429573362.db2.gz ZZIQPRDKFCWIBY-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001733393453 1429585107 /nfs/dbraw/zinc/58/51/07/1429585107.db2.gz VYQHYYZIOATZBX-OAQYLSRUSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001733422635 1429630292 /nfs/dbraw/zinc/63/02/92/1429630292.db2.gz LHYXYQIJYALHGJ-FPOVZHCZSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001733457679 1429677596 /nfs/dbraw/zinc/67/75/96/1429677596.db2.gz ACRHOIGUNNJAAX-UYAOXDASSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001733460741 1429685444 /nfs/dbraw/zinc/68/54/44/1429685444.db2.gz FMXWFJOBQDRQSX-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001733469596 1429703897 /nfs/dbraw/zinc/70/38/97/1429703897.db2.gz XTJQNHMRYAAWPQ-AZUAARDMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001733469601 1429704217 /nfs/dbraw/zinc/70/42/17/1429704217.db2.gz XTJQNHMRYAAWPQ-ICSRJNTNSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1)[NH+]1CCCC1 ZINC001722915476 1424250118 /nfs/dbraw/zinc/25/01/18/1424250118.db2.gz GZDWIMRPTNHIMB-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1)[NH+]1CCCC1 ZINC001722915478 1424250425 /nfs/dbraw/zinc/25/04/25/1424250425.db2.gz GZDWIMRPTNHIMB-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H]2CCCC[C@@H]2NC(=O)CC[NH+](C)C)c1 ZINC001722950576 1424273759 /nfs/dbraw/zinc/27/37/59/1424273759.db2.gz BCHXIFGVKOCUNK-ICSRJNTNSA-N 2 0 345.531 3.020 10 0 EGAERP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001723040670 1424291759 /nfs/dbraw/zinc/29/17/59/1424291759.db2.gz VULLCEXDZDQQNQ-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)C[NH+]2CCC(C)CC2)c1 ZINC001723156696 1424311094 /nfs/dbraw/zinc/31/10/94/1424311094.db2.gz LQCCGIXCSCANOK-IBGZPJMESA-N 2 0 345.531 3.226 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001723384327 1424380397 /nfs/dbraw/zinc/38/03/97/1424380397.db2.gz HZFQMCIYDCGDEW-AZUAARDMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@]2(C1)CCC[NH+](CC1CC(C)(C)C1)C2 ZINC001723690244 1424530802 /nfs/dbraw/zinc/53/08/02/1424530802.db2.gz GOMFDLJBVZHNHV-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001723906268 1424602955 /nfs/dbraw/zinc/60/29/55/1424602955.db2.gz PPRPCCSTHWAUAA-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001723920727 1424604538 /nfs/dbraw/zinc/60/45/38/1424604538.db2.gz NCFKKEXMGABGBW-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733535506 1429742075 /nfs/dbraw/zinc/74/20/75/1429742075.db2.gz BPLXAWJUXILOQR-ICSRJNTNSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733538339 1429744573 /nfs/dbraw/zinc/74/45/73/1429744573.db2.gz NIANLRSEIMBTCO-SJORKVTESA-N 2 0 339.568 3.227 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724093571 1424657420 /nfs/dbraw/zinc/65/74/20/1424657420.db2.gz CLKYVNADECXAGN-UXHICEINSA-N 2 0 349.563 3.458 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CCCC2)C1 ZINC001724104137 1424666348 /nfs/dbraw/zinc/66/63/48/1424666348.db2.gz VHTLRFFQRFUTEX-APWZRJJASA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001724173115 1424707729 /nfs/dbraw/zinc/70/77/29/1424707729.db2.gz BHOKEOCLHLVWJJ-RXVVDRJESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724229505 1424745722 /nfs/dbraw/zinc/74/57/22/1424745722.db2.gz STQUTYWZQSKLTC-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)(C)CC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724292926 1424777574 /nfs/dbraw/zinc/77/75/74/1424777574.db2.gz ZPRFPCXLVVVWIW-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724531709 1424896894 /nfs/dbraw/zinc/89/68/94/1424896894.db2.gz LFQQFELZYGHGQT-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724616229 1424964376 /nfs/dbraw/zinc/96/43/76/1424964376.db2.gz WKWZPCOEPBQOQB-GUDVDZBRSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001724654890 1425019988 /nfs/dbraw/zinc/01/99/88/1425019988.db2.gz UBUYBNSJXHEORI-XUVXKRRUSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733570596 1429773463 /nfs/dbraw/zinc/77/34/63/1429773463.db2.gz CVGQMMOGGQUHCP-ICSRJNTNSA-N 2 0 345.531 3.135 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001724745383 1425114327 /nfs/dbraw/zinc/11/43/27/1425114327.db2.gz STJDADSWWADSHJ-IHPCNDPISA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001724748384 1425117510 /nfs/dbraw/zinc/11/75/10/1425117510.db2.gz IVBDOKBGKBGPGT-MMKBSGOPSA-N 2 0 349.906 3.048 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001724787465 1425153623 /nfs/dbraw/zinc/15/36/23/1425153623.db2.gz FFXMBDQDJFRINI-PLNGDYQASA-N 2 0 347.547 3.237 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001724837711 1425186612 /nfs/dbraw/zinc/18/66/12/1425186612.db2.gz NJZIEXUFNFXURZ-KRWDZBQOSA-N 2 0 342.487 3.417 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001724886909 1425271428 /nfs/dbraw/zinc/27/14/28/1425271428.db2.gz OROSNTPNBJGFEM-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001724997462 1425404773 /nfs/dbraw/zinc/40/47/73/1425404773.db2.gz SMMHAPHIMNJXCF-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001725041847 1425468452 /nfs/dbraw/zinc/46/84/52/1425468452.db2.gz MVNZNHNTQFSDGZ-OALUTQOASA-N 2 0 337.552 3.362 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001725059763 1425499837 /nfs/dbraw/zinc/49/98/37/1425499837.db2.gz SHHPBQMZEBJPSY-PHWHVTFISA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)CCC[NH2+]CC1CC(NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001725070428 1425511895 /nfs/dbraw/zinc/51/18/95/1425511895.db2.gz IPAXHYJKERMLLI-UHFFFAOYSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N(C)C2CCC([NH2+]CCC(C)(C)C)CC2)C1 ZINC001725138354 1425614814 /nfs/dbraw/zinc/61/48/14/1425614814.db2.gz NEZRKWKCOZYXTO-AOCRQIFASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001725224542 1425792777 /nfs/dbraw/zinc/79/27/77/1425792777.db2.gz USOUETCDSZAWPX-RBUKOAKNSA-N 2 0 347.547 3.378 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC001725243027 1425854307 /nfs/dbraw/zinc/85/43/07/1425854307.db2.gz RCXVKUNGOBCYBD-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001725335339 1425980793 /nfs/dbraw/zinc/98/07/93/1425980793.db2.gz OJGWOSLGLUVYCO-GBGNZALESA-N 2 0 347.547 3.045 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001725419540 1426065427 /nfs/dbraw/zinc/06/54/27/1426065427.db2.gz DXLAYKRXHATWCM-QGZVFWFLSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001725424464 1426082913 /nfs/dbraw/zinc/08/29/13/1426082913.db2.gz JTKAOVMZADUDRM-PVTFFILZSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@H]([NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C)c1ccccc1 ZINC001725444716 1426106536 /nfs/dbraw/zinc/10/65/36/1426106536.db2.gz LOMRNJYUWHTZJR-XUVXKRRUSA-N 2 0 345.531 3.352 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001725478173 1426152180 /nfs/dbraw/zinc/15/21/80/1426152180.db2.gz CHJLIMGFYRSTLP-IRXDYDNUSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001725478939 1426153998 /nfs/dbraw/zinc/15/39/98/1426153998.db2.gz FROAFLRVRHFVKO-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725492947 1426170430 /nfs/dbraw/zinc/17/04/30/1426170430.db2.gz PIKXCDMWXNVYEJ-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001725559464 1426224309 /nfs/dbraw/zinc/22/43/09/1426224309.db2.gz DASDVOWTFFVJDI-QFBILLFUSA-N 2 0 342.487 3.416 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001725605637 1426262076 /nfs/dbraw/zinc/26/20/76/1426262076.db2.gz KUOCYLADKPWICV-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001725612396 1426273176 /nfs/dbraw/zinc/27/31/76/1426273176.db2.gz WDIPKDJOOQWQOE-SQGPQFPESA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001725622660 1426288204 /nfs/dbraw/zinc/28/82/04/1426288204.db2.gz HVYUAEIKHNETNI-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[NH+]3CCCC3)C[C@@H]21 ZINC001725623343 1426289100 /nfs/dbraw/zinc/28/91/00/1426289100.db2.gz HKDWYURBTQGDRD-IKIZUSFZSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001725644730 1426325876 /nfs/dbraw/zinc/32/58/76/1426325876.db2.gz YPBTZZVMHVKHFB-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001725676825 1426363242 /nfs/dbraw/zinc/36/32/42/1426363242.db2.gz PPXQMYWGAXFRDQ-LZZOGUTLSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684639 1426372269 /nfs/dbraw/zinc/37/22/69/1426372269.db2.gz RPMRZQVXFFFUTK-YJBOKZPZSA-N 2 0 349.494 3.054 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001725756440 1426435825 /nfs/dbraw/zinc/43/58/25/1426435825.db2.gz JTQOYHBEVITCCA-VTFYZGIISA-N 2 0 337.552 3.338 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001725769309 1426453020 /nfs/dbraw/zinc/45/30/20/1426453020.db2.gz FKKGVZGVTPDHHR-ROUUACIJSA-N 2 0 345.531 3.224 10 0 EGAERP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001725823909 1426498390 /nfs/dbraw/zinc/49/83/90/1426498390.db2.gz AHTWNEDIAYKGQS-AATRIKPKSA-N 2 0 347.547 3.213 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001731294185 1427236712 /nfs/dbraw/zinc/23/67/12/1427236712.db2.gz PQVKGFJEPXTTGT-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001731294186 1427236837 /nfs/dbraw/zinc/23/68/37/1427236837.db2.gz PQVKGFJEPXTTGT-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCC1 ZINC001731308918 1427250616 /nfs/dbraw/zinc/25/06/16/1427250616.db2.gz LTQGOIZJXCGHNF-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](CC1CCCCC1)C1CC1 ZINC001731345978 1427284199 /nfs/dbraw/zinc/28/41/99/1427284199.db2.gz KBZRTIZLLBEQNR-QZTJIDSGSA-N 2 0 349.563 3.410 10 0 EGAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCC(C)C)CC1 ZINC001731385958 1427331687 /nfs/dbraw/zinc/33/16/87/1427331687.db2.gz MPUVXSIPTXBTFH-FQEVSTJZSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001731430559 1427413113 /nfs/dbraw/zinc/41/31/13/1427413113.db2.gz ACSUPBYDMGVJKZ-HAGHYFMRSA-N 2 0 347.547 3.115 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC=C(C)C ZINC001731551092 1427571775 /nfs/dbraw/zinc/57/17/75/1427571775.db2.gz JLZZYISVGJWQFX-RTBURBONSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC=C(C)C ZINC001731552172 1427573415 /nfs/dbraw/zinc/57/34/15/1427573415.db2.gz RCNPTZLWBGOFTN-OALUTQOASA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001731559967 1427594370 /nfs/dbraw/zinc/59/43/70/1427594370.db2.gz TZIFLHMLXJSHBK-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731569136 1427609122 /nfs/dbraw/zinc/60/91/22/1427609122.db2.gz RAEYDSDNWCVVEM-ACBHZAAOSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[NH2+]C1CCC(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001731572070 1427613706 /nfs/dbraw/zinc/61/37/06/1427613706.db2.gz QGXPTPJCIAIATC-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001731573150 1427615750 /nfs/dbraw/zinc/61/57/50/1427615750.db2.gz CUSRCFGJHDTNBV-LMDPOFIKSA-N 2 0 345.531 3.333 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001731641273 1427701040 /nfs/dbraw/zinc/70/10/40/1427701040.db2.gz UEFGOEIYOPKGNZ-SJORKVTESA-N 2 0 341.499 3.335 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001731670398 1427719708 /nfs/dbraw/zinc/71/97/08/1427719708.db2.gz BDOIJXJSYUPCQZ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731721289 1427791937 /nfs/dbraw/zinc/79/19/37/1427791937.db2.gz XFBWONJIGHBCPH-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001731727331 1427801434 /nfs/dbraw/zinc/80/14/34/1427801434.db2.gz IAIKYEBOQMLTRX-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC001731751319 1427845995 /nfs/dbraw/zinc/84/59/95/1427845995.db2.gz VMKFCVGNZOIIAH-IBGZPJMESA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731834873 1428048713 /nfs/dbraw/zinc/04/87/13/1428048713.db2.gz SECZMWOHWHTPHK-WUUFJKRQSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731851161 1428079841 /nfs/dbraw/zinc/07/98/41/1428079841.db2.gz VGUBJHZYGROHFV-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001731854218 1428086633 /nfs/dbraw/zinc/08/66/33/1428086633.db2.gz MBBMCKGTGXLHBQ-VQTJNVASSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CC(C)(C)C1 ZINC001731870292 1428124429 /nfs/dbraw/zinc/12/44/29/1428124429.db2.gz WVZTUFUKSPIRGA-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC1CC2(CCC2)C1 ZINC001731870914 1428127511 /nfs/dbraw/zinc/12/75/11/1428127511.db2.gz SKYTWLOLELQLQK-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001731876827 1428140761 /nfs/dbraw/zinc/14/07/61/1428140761.db2.gz UAZJAGLLUIPPFB-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](C(=O)NCC[N@H+](CC1CCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001731882278 1428153477 /nfs/dbraw/zinc/15/34/77/1428153477.db2.gz MEBPPEJDFUSYDP-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001731960523 1428184594 /nfs/dbraw/zinc/18/45/94/1428184594.db2.gz BYYLGQZVZJUWJN-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)CC1 ZINC001731962997 1428185006 /nfs/dbraw/zinc/18/50/06/1428185006.db2.gz UKVYLKJYQZVXRP-CTWPCTMYSA-N 2 0 337.552 3.124 10 0 EGAERP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731973652 1428190330 /nfs/dbraw/zinc/19/03/30/1428190330.db2.gz HSJDTCLOFWRIRG-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001733597707 1429796924 /nfs/dbraw/zinc/79/69/24/1429796924.db2.gz DDDBCBKHSCCGRV-ZYHOBAKYSA-N 2 0 335.536 3.140 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001733600386 1429803700 /nfs/dbraw/zinc/80/37/00/1429803700.db2.gz NIEAYCMPGLEVDL-OXUXSNCKSA-N 2 0 335.536 3.140 10 0 EGAERP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733605535 1429817386 /nfs/dbraw/zinc/81/73/86/1429817386.db2.gz DJXIBZHKDPHZQQ-RBUKOAKNSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733651486 1429844876 /nfs/dbraw/zinc/84/48/76/1429844876.db2.gz ILDQPBXLTDLPPT-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001733661244 1429853354 /nfs/dbraw/zinc/85/33/54/1429853354.db2.gz PCWJAHCZBGGUBR-UYAOXDASSA-N 2 0 347.547 3.022 10 0 EGAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001733661243 1429853399 /nfs/dbraw/zinc/85/33/99/1429853399.db2.gz PCWJAHCZBGGUBR-QUCCMNQESA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733666610 1429860058 /nfs/dbraw/zinc/86/00/58/1429860058.db2.gz CCBUXDUTEOWUIE-IBGZPJMESA-N 2 0 343.515 3.156 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001733681666 1429893109 /nfs/dbraw/zinc/89/31/09/1429893109.db2.gz HJMYXFBFHHMDGI-SQGPQFPESA-N 2 0 345.531 3.340 10 0 EGAERP CCC[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001733781187 1430045165 /nfs/dbraw/zinc/04/51/65/1430045165.db2.gz DAIJQOOBKSHRSJ-YSIASYRMSA-N 2 0 349.563 3.218 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001733783522 1430051623 /nfs/dbraw/zinc/05/16/23/1430051623.db2.gz ZPCNBVWELBPGON-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001733846527 1430114966 /nfs/dbraw/zinc/11/49/66/1430114966.db2.gz JFZRYLFLUKOKMM-HMTUNPETSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001733853732 1437688015 /nfs/dbraw/zinc/68/80/15/1437688015.db2.gz NXTNMGPVPTYGLM-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]CCC(C)C)CC2)C1 ZINC001733866045 1437693985 /nfs/dbraw/zinc/69/39/85/1437693985.db2.gz MEVQAPOPPXQOSB-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733870322 1437696661 /nfs/dbraw/zinc/69/66/61/1437696661.db2.gz UQRJFPICCJINRJ-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001733897909 1437715200 /nfs/dbraw/zinc/71/52/00/1437715200.db2.gz FNOLGSGKQHITGQ-WBVHZDCISA-N 2 0 335.536 3.019 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001733907679 1437726620 /nfs/dbraw/zinc/72/66/20/1437726620.db2.gz UJSNVNXIFNOMBL-UXHICEINSA-N 2 0 345.531 3.231 10 0 EGAERP CCCc1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001733935670 1437749653 /nfs/dbraw/zinc/74/96/53/1437749653.db2.gz LSKBUGJQVVWLMK-HXUWFJFHSA-N 2 0 345.531 3.014 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733937138 1437751679 /nfs/dbraw/zinc/75/16/79/1437751679.db2.gz GZECNFTXFNFRIX-ROUKRRSUSA-N 2 0 349.563 3.386 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)C[NH+]1CCCC1 ZINC001733938228 1437753501 /nfs/dbraw/zinc/75/35/01/1437753501.db2.gz GWPUJCNKIVRARS-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001733942783 1437759135 /nfs/dbraw/zinc/75/91/35/1437759135.db2.gz ZLBPLXUYYHRALF-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001733980164 1437777734 /nfs/dbraw/zinc/77/77/34/1437777734.db2.gz BRLOVYDRFRMAAB-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001734033528 1437821125 /nfs/dbraw/zinc/82/11/25/1437821125.db2.gz FFYCRXRZYFOVNY-DLBZAZTESA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734078661 1437866172 /nfs/dbraw/zinc/86/61/72/1437866172.db2.gz AUFOZTBHTGYRHO-OALUTQOASA-N 2 0 339.568 3.370 10 0 EGAERP O=C(NC1(C[NH2+]CC2CCCCC2)CCCCC1)C12CC[NH+](CC1)C2 ZINC001734091831 1437876100 /nfs/dbraw/zinc/87/61/00/1437876100.db2.gz PCQLZDBEFFSBMJ-UHFFFAOYSA-N 2 0 347.547 3.071 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001734098803 1437883033 /nfs/dbraw/zinc/88/30/33/1437883033.db2.gz DRSOCRNQEQEUGY-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001734123736 1437903614 /nfs/dbraw/zinc/90/36/14/1437903614.db2.gz IDQAORYFQDCEHC-DLBZAZTESA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001734187805 1437931030 /nfs/dbraw/zinc/93/10/30/1437931030.db2.gz HPMSPIUNPPFDTC-CMZLPQLFSA-N 2 0 347.547 3.044 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001734233667 1437951902 /nfs/dbraw/zinc/95/19/02/1437951902.db2.gz LJMOQANRMFJDSK-AZUAARDMSA-N 2 0 345.531 3.242 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001734432019 1438095536 /nfs/dbraw/zinc/09/55/36/1438095536.db2.gz YPPGPIINICKQFP-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001734439841 1438102164 /nfs/dbraw/zinc/10/21/64/1438102164.db2.gz LIMOPABAKDNCKS-SCTDSRPQSA-N 2 0 349.544 3.010 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001734490147 1438130285 /nfs/dbraw/zinc/13/02/85/1438130285.db2.gz ZQMCUFBQDNKXKU-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001734500291 1438134660 /nfs/dbraw/zinc/13/46/60/1438134660.db2.gz JDBUUXUTUPLOQC-KRWDZBQOSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)C[NH+]1CC[C@H](C)C1)C(C)C ZINC001734552030 1438150341 /nfs/dbraw/zinc/15/03/41/1438150341.db2.gz XWAAONNHKAMYQE-SFHVURJKSA-N 2 0 345.531 3.006 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001734570548 1438164706 /nfs/dbraw/zinc/16/47/06/1438164706.db2.gz NZBNZLOMALPHLR-JTHGQSKGSA-N 2 0 337.552 3.195 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001734587399 1438177507 /nfs/dbraw/zinc/17/75/07/1438177507.db2.gz JZMICIZTSPZHFZ-HMECNJMJSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001750946190 1440118899 /nfs/dbraw/zinc/11/88/99/1440118899.db2.gz XQJJLXHMPIUEMW-ZSQQTYLHSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)C[C@H]1OCCc2ccccc21 ZINC000346149070 282250712 /nfs/dbraw/zinc/25/07/12/282250712.db2.gz LLVICJPSEAKSPA-OAQYLSRUSA-N 2 0 348.450 3.322 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000168662809 299266917 /nfs/dbraw/zinc/26/69/17/299266917.db2.gz GRDVWPVTTJXHPO-WDSOQIARSA-N 2 0 343.515 3.284 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000183939799 533665396 /nfs/dbraw/zinc/66/53/96/533665396.db2.gz RGMOJYOWLKHYCA-CQSZACIVSA-N 2 0 326.431 3.149 10 0 EGAERP c1cn(-c2ccc(C[N@@H+]3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)cn1 ZINC000246863448 141039626 /nfs/dbraw/zinc/03/96/26/141039626.db2.gz PQXPCBIWDXUCBH-RXVVDRJESA-N 2 0 336.483 3.321 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC([NH+](C)C)CC2)cc1 ZINC000338021171 141075639 /nfs/dbraw/zinc/07/56/39/141075639.db2.gz GBVRXSHPTRCKBU-UHFFFAOYSA-N 2 0 331.504 3.085 10 0 EGAERP C[N@H+](CCc1ccncc1)[C@H]1CCC[NH+](CCc2ccncc2)CC1 ZINC000351709817 144294074 /nfs/dbraw/zinc/29/40/74/144294074.db2.gz KXAMUDGWCWISAC-NRFANRHFSA-N 2 0 338.499 3.048 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@H]([C@@H]4CCOC4)C3)CC2)cc[nH+]1 ZINC000341392771 155266223 /nfs/dbraw/zinc/26/62/23/155266223.db2.gz DZGDXCQRXYYTNK-XUVXKRRUSA-N 2 0 343.515 3.483 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2sccc2Cl)(N2CCCCC2)CC1 ZINC000193129070 153278862 /nfs/dbraw/zinc/27/88/62/153278862.db2.gz YYRWQUKIPFVQNX-UHFFFAOYSA-N 2 0 341.952 3.441 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000337467914 154368875 /nfs/dbraw/zinc/36/88/75/154368875.db2.gz NQVIFTSNSGBYCV-UHFFFAOYSA-N 2 0 341.902 3.327 10 0 EGAERP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000368689065 157265061 /nfs/dbraw/zinc/26/50/61/157265061.db2.gz SBLCYTPRQOUROA-VIFPVBQESA-N 2 0 329.297 3.095 10 0 EGAERP CC[N@@H+]1CC[C@@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248990830 163049320 /nfs/dbraw/zinc/04/93/20/163049320.db2.gz NHVHKZNIZXBPMF-BURNTYAHSA-N 2 0 327.516 3.113 10 0 EGAERP O=C(NCCC[NH2+]C1CCCCC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000345856781 164280397 /nfs/dbraw/zinc/28/03/97/164280397.db2.gz ZUDBPHFASHGYIR-UHFFFAOYSA-N 2 0 343.515 3.325 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000355474639 166213947 /nfs/dbraw/zinc/21/39/47/166213947.db2.gz NACKYSIZMCFNEI-SJORKVTESA-N 2 0 348.535 3.145 10 0 EGAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367592765 168246070 /nfs/dbraw/zinc/24/60/70/168246070.db2.gz FFUCRYZCBYXHPO-SESVDKBCSA-N 2 0 339.483 3.416 10 0 EGAERP C[C@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+]1C ZINC000123453393 222279666 /nfs/dbraw/zinc/27/96/66/222279666.db2.gz IDFCSUIWQLAFCQ-GJZGRUSLSA-N 2 0 343.471 3.049 10 0 EGAERP c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(OCC[NH+]3CCCC3)CC1)C2 ZINC000359610962 275069675 /nfs/dbraw/zinc/06/96/75/275069675.db2.gz ODYASOQGUBZYLZ-LJQANCHMSA-N 2 0 342.527 3.368 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110821617 275181634 /nfs/dbraw/zinc/18/16/34/275181634.db2.gz LUTOGPIJIPZFEF-CXAGYDPISA-N 2 0 337.305 3.238 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)C1 ZINC000286969873 276064630 /nfs/dbraw/zinc/06/46/30/276064630.db2.gz IIGNRTHCXVQRBX-WMQCIHAUSA-N 2 0 330.516 3.223 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653942 276199543 /nfs/dbraw/zinc/19/95/43/276199543.db2.gz RNFOJZKSNBLTGU-QAPCUYQASA-N 2 0 349.494 3.044 10 0 EGAERP CC(C)[C@@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994240 276431593 /nfs/dbraw/zinc/43/15/93/276431593.db2.gz CLAXZIXRKJBXJZ-WMZOPIPTSA-N 2 0 337.533 3.032 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000353078839 277045568 /nfs/dbraw/zinc/04/55/68/277045568.db2.gz QRFUOHNFRUGLNW-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H](C[NH2+]C1c2ccccc2CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000180465364 278282954 /nfs/dbraw/zinc/28/29/54/278282954.db2.gz TZOPZKJOGDKITI-SFHVURJKSA-N 2 0 349.522 3.100 10 0 EGAERP C[C@H](c1cccc(Cl)c1F)[N@H+](C)CCCN1CC[NH+](C)CC1 ZINC000187367112 278310255 /nfs/dbraw/zinc/31/02/55/278310255.db2.gz DKJAZKFATLBYFP-CQSZACIVSA-N 2 0 327.875 3.109 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2ccc(F)cc2F)CC1 ZINC000246998241 278395842 /nfs/dbraw/zinc/39/58/42/278395842.db2.gz BHGSZMBMZPTHGS-ZIAGYGMSSA-N 2 0 326.431 3.050 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000122692657 307531884 /nfs/dbraw/zinc/53/18/84/307531884.db2.gz UIXYGSANPTUWQV-SFHVURJKSA-N 3 0 347.547 3.400 10 0 EGAERP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177969 309065088 /nfs/dbraw/zinc/06/50/88/309065088.db2.gz JKWXXXCSELWHRZ-SJORKVTESA-N 2 0 326.488 3.470 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(F)c2ccccc21)N1CC[NH+](C)CC1 ZINC000293792288 308162322 /nfs/dbraw/zinc/16/23/22/308162322.db2.gz QQVAOHHFECLEDZ-CVEARBPZSA-N 2 0 329.463 3.265 10 0 EGAERP CCc1noc(C)c1C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293874486 308169890 /nfs/dbraw/zinc/16/98/90/308169890.db2.gz ZVVMBYLFTAPXDN-AWEZNQCLSA-N 2 0 331.460 3.337 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000414513390 309085730 /nfs/dbraw/zinc/08/57/30/309085730.db2.gz KDNPYDIWXPUHKP-GGPKGHCWSA-N 2 0 345.531 3.122 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)ccc1F ZINC000294212980 308200552 /nfs/dbraw/zinc/20/05/52/308200552.db2.gz MSOJAFWTLJPSGU-UHFFFAOYSA-N 3 0 342.462 3.041 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000295872002 308369573 /nfs/dbraw/zinc/36/95/73/308369573.db2.gz GGOWZQSDIQEKJP-XCDJFROHSA-N 2 0 327.516 3.112 10 0 EGAERP [NH3+]CC(=O)N1CCC[C@H](C[N@H+](Cc2ccccc2)C2CCCCC2)C1 ZINC000414697314 309095952 /nfs/dbraw/zinc/09/59/52/309095952.db2.gz GUMRXAZLTZPBRU-IBGZPJMESA-N 2 0 343.515 3.019 10 0 EGAERP Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2CC[NH2+][C@@H](C)C2)n1 ZINC000414717550 309097128 /nfs/dbraw/zinc/09/71/28/309097128.db2.gz ZSEPCKVPFDWWDE-RBUKOAKNSA-N 2 0 338.499 3.484 10 0 EGAERP C[C@@H]1C[C@@H](C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)CC[NH2+]1 ZINC000414768226 309099680 /nfs/dbraw/zinc/09/96/80/309099680.db2.gz UOHIOBRWVGYEIW-CVEARBPZSA-N 2 0 331.479 3.041 10 0 EGAERP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414811993 309103003 /nfs/dbraw/zinc/10/30/03/309103003.db2.gz KDQPQKXAHOLOOR-LBPRGKRZSA-N 2 0 332.831 3.436 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414822599 309103865 /nfs/dbraw/zinc/10/38/65/309103865.db2.gz NDZLKSWBGYSJHF-YRGRVCCFSA-N 2 0 343.284 3.497 10 0 EGAERP C[C@@H]1CC[C@@H](C)[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397497235 308904489 /nfs/dbraw/zinc/90/44/89/308904489.db2.gz CHGSTZJBIIDKAY-GGPKGHCWSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@H](C[NH3+])C1 ZINC000415033129 309115622 /nfs/dbraw/zinc/11/56/22/309115622.db2.gz IOYHMPAERUJBGM-UHIISALHSA-N 2 0 329.257 3.236 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000415040002 309115990 /nfs/dbraw/zinc/11/59/90/309115990.db2.gz JMFSOQOZTPIPAB-NVXWUHKLSA-N 2 0 328.485 3.169 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2OCc2cccnc2)C[C@@]1(C)C[NH3+] ZINC000415052867 309116714 /nfs/dbraw/zinc/11/67/14/309116714.db2.gz IQLLFIAALJKJDS-OXQOHEQNSA-N 2 0 325.456 3.077 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC ZINC000415081093 309118923 /nfs/dbraw/zinc/11/89/23/309118923.db2.gz JZWGKBAINPRMAU-RCCFBDPRSA-N 2 0 332.488 3.147 10 0 EGAERP COc1ccc([C@@H](CNC[C@@H]([NH3+])CC(C)C)[NH+]2CCCCC2)cc1 ZINC000415085385 309119280 /nfs/dbraw/zinc/11/92/80/309119280.db2.gz QCGYZQSDIJTLMT-AZUAARDMSA-N 2 0 333.520 3.185 10 0 EGAERP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000415131025 309122679 /nfs/dbraw/zinc/12/26/79/309122679.db2.gz RSTDEYZVFBMGGE-FPOVZHCZSA-N 2 0 344.499 3.194 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)c1 ZINC000415905808 309147360 /nfs/dbraw/zinc/14/73/60/309147360.db2.gz IYOKZEBMEJVMBT-IYBDPMFKSA-N 2 0 332.492 3.181 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421345301 309319406 /nfs/dbraw/zinc/31/94/06/309319406.db2.gz RHVKGFHZXMLWNP-HXUWFJFHSA-N 2 0 328.500 3.456 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422699853 309363575 /nfs/dbraw/zinc/36/35/75/309363575.db2.gz BKJRIMJGWJCWFW-QZTJIDSGSA-N 2 0 326.440 3.371 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1CCCc2cc(OC(F)F)ccc21 ZINC000422824246 309370436 /nfs/dbraw/zinc/37/04/36/309370436.db2.gz GSCYNCKLRIXQJI-BBRMVZONSA-N 2 0 328.403 3.009 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CCCC[C@H]2C[NH3+])CCOCC1 ZINC000422897393 309374741 /nfs/dbraw/zinc/37/47/41/309374741.db2.gz JKTJLXODVYMXQH-HKUYNNGSSA-N 2 0 346.515 3.159 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422915524 309375942 /nfs/dbraw/zinc/37/59/42/309375942.db2.gz BFBLLYLRNBFSIJ-UONOGXRCSA-N 2 0 343.471 3.148 10 0 EGAERP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1OC ZINC000422945330 309377584 /nfs/dbraw/zinc/37/75/84/309377584.db2.gz UCNAORHEWKJWTD-VBSBHUPXSA-N 2 0 344.499 3.426 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+]Cc1ccc(N2CCc3ccccc3C2)nc1 ZINC000422969691 309378926 /nfs/dbraw/zinc/37/89/26/309378926.db2.gz DFYMUXKYCZFMDR-QGZVFWFLSA-N 2 0 338.499 3.251 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423009758 309380779 /nfs/dbraw/zinc/38/07/79/309380779.db2.gz DTKHWAYZDBJMJT-JLZZUVOBSA-N 2 0 327.875 3.331 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000423033878 309382233 /nfs/dbraw/zinc/38/22/33/309382233.db2.gz OZQFUFDXDDVYDD-IWEFOYFVSA-N 2 0 343.437 3.346 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094721 309385731 /nfs/dbraw/zinc/38/57/31/309385731.db2.gz KPIZJTYLMNCRCQ-YRXWBPOGSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1C[NH2+]C1 ZINC000423108041 309386266 /nfs/dbraw/zinc/38/62/66/309386266.db2.gz QQRUOVNWFUDLGP-PUSWSODOSA-N 3 0 347.934 3.451 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423154657 309388495 /nfs/dbraw/zinc/38/84/95/309388495.db2.gz PFMGCGWSSZYBDT-HZMBPMFUSA-N 2 0 327.241 3.307 10 0 EGAERP C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCC[NH3+] ZINC000423181634 309389369 /nfs/dbraw/zinc/38/93/69/309389369.db2.gz GHURNJHIMCGIEA-VIFPVBQESA-N 2 0 337.773 3.014 10 0 EGAERP C[C@@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000423177402 309389399 /nfs/dbraw/zinc/38/93/99/309389399.db2.gz DUMHDUDSVUTZMP-MRXNPFEDSA-N 2 0 329.513 3.361 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@@H]1CCC[NH2+]C1)CCCO2 ZINC000423221073 309391004 /nfs/dbraw/zinc/39/10/04/309391004.db2.gz ZENPJHKAYOTXEI-DOMZBBRYSA-N 2 0 339.277 3.252 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255040 309392495 /nfs/dbraw/zinc/39/24/95/309392495.db2.gz ANFHLCQRHPGEOG-UKRRQHHQSA-N 2 0 347.894 3.269 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1cccc(OCC[NH+](C)C)c1 ZINC000423292556 309394231 /nfs/dbraw/zinc/39/42/31/309394231.db2.gz NIEXVKNLZRDLOY-DLBZAZTESA-N 3 0 341.499 3.498 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000424110655 309429684 /nfs/dbraw/zinc/42/96/84/309429684.db2.gz DDLMTGUSSDHUNW-SFHVURJKSA-N 2 0 331.504 3.017 10 0 EGAERP [NH3+][C@H](CCC(=O)NC1CC([NH+]2CCCCC2)C1)CC1CCCCC1 ZINC000424184087 309432205 /nfs/dbraw/zinc/43/22/05/309432205.db2.gz XBORWJPBSKQNNJ-LMDPOFIKSA-N 2 0 335.536 3.197 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]Cc3ccc(OCCC[NH+](C)C)cc3)C[C@H]2C1 ZINC000424272352 309435626 /nfs/dbraw/zinc/43/56/26/309435626.db2.gz QKRXSIBVYCIVCZ-KBCPTCDJSA-N 2 0 346.515 3.310 10 0 EGAERP C[C@@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000433057490 309677019 /nfs/dbraw/zinc/67/70/19/309677019.db2.gz LXWBXWYZNNLNDS-QGZVFWFLSA-N 2 0 346.515 3.220 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000449067789 310034434 /nfs/dbraw/zinc/03/44/34/310034434.db2.gz OGOJITRFRALSGB-GOSISDBHSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@H](CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000449133106 310039353 /nfs/dbraw/zinc/03/93/53/310039353.db2.gz CMJKLTFRACNMRZ-QZTJIDSGSA-N 2 0 329.532 3.154 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000449136418 310039556 /nfs/dbraw/zinc/03/95/56/310039556.db2.gz BDKZJZKBZOWDNJ-UHFFFAOYSA-N 2 0 337.552 3.299 10 0 EGAERP C[C@@H](CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[S@](C)=O ZINC000449219167 310045452 /nfs/dbraw/zinc/04/54/52/310045452.db2.gz CLCYWIHTUJUBTH-NYHFZMIOSA-N 2 0 330.582 3.412 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H]2CCO)CC1 ZINC000449261753 310048295 /nfs/dbraw/zinc/04/82/95/310048295.db2.gz FEFTVDVXZJCTOK-QFUCXCTJSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000449304606 310051878 /nfs/dbraw/zinc/05/18/78/310051878.db2.gz ZNSWJLCVUQWKAS-UTKZUKDTSA-N 2 0 330.516 3.223 10 0 EGAERP CC[C@@H](COCC(F)(F)F)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449382736 310057840 /nfs/dbraw/zinc/05/78/40/310057840.db2.gz YGXHROFXBRRLEV-AWEZNQCLSA-N 2 0 342.365 3.023 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](SC)C2)CC1 ZINC000449445779 310062518 /nfs/dbraw/zinc/06/25/18/310062518.db2.gz LVIPZBHTFISMMT-GOSISDBHSA-N 2 0 333.545 3.156 10 0 EGAERP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449588698 310074175 /nfs/dbraw/zinc/07/41/75/310074175.db2.gz QQOKUBUTRQFGAQ-MSOLQXFVSA-N 2 0 340.515 3.036 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccccc1OC(F)(F)F ZINC000453259772 310267396 /nfs/dbraw/zinc/26/73/96/310267396.db2.gz IMBSMXLBFDROOC-UONOGXRCSA-N 2 0 346.393 3.083 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCOCC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453280642 310269031 /nfs/dbraw/zinc/26/90/31/310269031.db2.gz FYPSUNQLHRTVEO-HBMCJLEFSA-N 2 0 326.484 3.366 10 0 EGAERP CC[NH+](CC)CC1CCN(C(=O)Nc2cc(C)c3nccn3c2)CC1 ZINC000455655054 310371383 /nfs/dbraw/zinc/37/13/83/310371383.db2.gz JEBDTDYTYKTRKB-UHFFFAOYSA-N 2 0 343.475 3.228 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482244028 310929263 /nfs/dbraw/zinc/92/92/63/310929263.db2.gz NLUHHVUESIUIFL-UHFFFAOYSA-N 2 0 338.879 3.338 10 0 EGAERP CC[NH+](CC)CC1CCN([C@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000488435259 311065370 /nfs/dbraw/zinc/06/53/70/311065370.db2.gz PJLTUVPQGBEYHN-SFHVURJKSA-N 2 0 336.451 3.094 10 0 EGAERP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000511032704 312153146 /nfs/dbraw/zinc/15/31/46/312153146.db2.gz TWCRGCWVZDGZPT-QFBILLFUSA-N 2 0 334.504 3.219 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000513761398 312217174 /nfs/dbraw/zinc/21/71/74/312217174.db2.gz MWKMPDQNMPMAKJ-FNAHDJPLSA-N 2 0 343.559 3.402 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCCC[C@@H]34)CC23CC3)cc1 ZINC000514602631 312233816 /nfs/dbraw/zinc/23/38/16/312233816.db2.gz IANQUPNKARATHT-HBMCJLEFSA-N 2 0 339.527 3.400 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000515833702 312299958 /nfs/dbraw/zinc/29/99/58/312299958.db2.gz NNVAKUGXIYFQAV-LJQANCHMSA-N 2 0 346.515 3.156 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527924202 312973835 /nfs/dbraw/zinc/97/38/35/312973835.db2.gz HOEJFJJFOCNOKG-UYAOXDASSA-N 2 0 330.516 3.488 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538098607 314226874 /nfs/dbraw/zinc/22/68/74/314226874.db2.gz JGTMCISRWIMJPY-IERDGZPVSA-N 2 0 347.522 3.448 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@@H]2OC)CC1 ZINC000538125541 314228175 /nfs/dbraw/zinc/22/81/75/314228175.db2.gz XFEUEOLKNLMYHT-FPOVZHCZSA-N 2 0 345.531 3.123 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@H]2CCC[C@H]21 ZINC000552248553 315209237 /nfs/dbraw/zinc/20/92/37/315209237.db2.gz KXWQWHCMZIYZCP-KJWYOANISA-N 2 0 335.442 3.006 10 0 EGAERP O[C@@H](C[NH2+]CC1CC[NH+](Cc2cccs2)CC1)CC1CCCC1 ZINC000569332373 316898707 /nfs/dbraw/zinc/89/87/07/316898707.db2.gz NZKDBLAVHCTRMH-GOSISDBHSA-N 2 0 336.545 3.491 10 0 EGAERP C[C@@H]([NH3+])CCC(=O)NCc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000570448179 317057258 /nfs/dbraw/zinc/05/72/58/317057258.db2.gz LWCZJYVZSMHJRZ-MRXNPFEDSA-N 2 0 339.483 3.159 10 0 EGAERP COc1cc2c(cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1)O[C@@H](C)C2 ZINC000572129214 317295997 /nfs/dbraw/zinc/29/59/97/317295997.db2.gz COJATTDOLUGVEC-KBPBESRZSA-N 2 0 326.440 3.328 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000350590240 324099332 /nfs/dbraw/zinc/09/93/32/324099332.db2.gz DVKOTUAAOJBPCQ-GJZGRUSLSA-N 2 0 344.459 3.050 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000398182572 324295920 /nfs/dbraw/zinc/29/59/20/324295920.db2.gz XIVXLCTXTCYHAD-QFBILLFUSA-N 2 0 338.451 3.416 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000577527932 324823206 /nfs/dbraw/zinc/82/32/06/324823206.db2.gz SESIJWBWOLKXPQ-MJGOQNOKSA-N 2 0 345.531 3.306 10 0 EGAERP CC1=CC[N@H+](CCN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000579941061 325179975 /nfs/dbraw/zinc/17/99/75/325179975.db2.gz CWEQVXPLWHACFN-DKUWSORSSA-N 2 0 339.527 3.424 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000581118889 325332219 /nfs/dbraw/zinc/33/22/19/325332219.db2.gz WOOKXCKEPUECND-CYBMUJFWSA-N 2 0 334.423 3.415 10 0 EGAERP CC(C)[NH2+]CCC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000583138242 325498499 /nfs/dbraw/zinc/49/84/99/325498499.db2.gz IVCPOCHOHDIRHY-GFCCVEGCSA-N 2 0 331.273 3.497 10 0 EGAERP Cn1c2ccccc2nc1CCC[NH2+]C1CC[NH+](C(C)(C)C)CC1 ZINC000181021083 455277229 /nfs/dbraw/zinc/27/72/29/455277229.db2.gz IXHMZAUCLPBYLA-UHFFFAOYSA-N 2 0 328.504 3.358 10 0 EGAERP CN(C)c1cc(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)c2ccccc2n1 ZINC000623437224 460549153 /nfs/dbraw/zinc/54/91/53/460549153.db2.gz XNTSHLKCQLSTTB-MRXNPFEDSA-N 2 0 326.488 3.263 10 0 EGAERP C[NH+](C)C[C@@](C)(O)CNCc1ccc(-c2ccccc2)c(Cl)c1 ZINC000623470861 460567147 /nfs/dbraw/zinc/56/71/47/460567147.db2.gz GDFWBHVGMOJLNS-IBGZPJMESA-N 2 0 332.875 3.409 10 0 EGAERP c1cncc(COc2ccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC000631889248 460589527 /nfs/dbraw/zinc/58/95/27/460589527.db2.gz GIKXONZJSRPYHR-TZIWHRDSSA-N 2 0 337.467 3.235 10 0 EGAERP c1[nH]nc2c1C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000245679341 455354701 /nfs/dbraw/zinc/35/47/01/455354701.db2.gz ILMNVQGEISXKTN-HAGHYFMRSA-N 2 0 336.483 3.052 10 0 EGAERP CCS(=O)(=O)c1ccc([C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517583 460592641 /nfs/dbraw/zinc/59/26/41/460592641.db2.gz KQKPDLREXPMMCY-HOCLYGCPSA-N 2 0 338.517 3.004 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@H]2CC[N@H+](CCc3ccccc3)C2)CC1 ZINC000089840172 454214408 /nfs/dbraw/zinc/21/44/08/454214408.db2.gz SRAAIKBOONQQMR-NRFANRHFSA-N 2 0 329.532 3.013 10 0 EGAERP Clc1ccc2c(c1)C[C@@H]1[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)[C@H]21 ZINC000623606207 460636507 /nfs/dbraw/zinc/63/65/07/460636507.db2.gz RFVGXHLYSSZRSK-OTWHNJEPSA-N 2 0 336.826 3.349 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)NCc1ccccc1C[N@H+](C)C(C)C ZINC000048828830 454517787 /nfs/dbraw/zinc/51/77/87/454517787.db2.gz NKLMTCQCPHATAO-QGZVFWFLSA-N 2 0 348.535 3.056 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000049074964 454531660 /nfs/dbraw/zinc/53/16/60/454531660.db2.gz RSBPTKSEFPFNJP-UHFFFAOYSA-N 2 0 347.503 3.069 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CN(C(C)C)C[C@@H]1C)CC3 ZINC000123453009 454638431 /nfs/dbraw/zinc/63/84/31/454638431.db2.gz PUDQIMBLEMFZFQ-ZSDSOXJFSA-N 2 0 341.499 3.352 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](COC)C2)CC1 ZINC000093337711 454704141 /nfs/dbraw/zinc/70/41/41/454704141.db2.gz YVIOJPJKDVCUBM-LJQANCHMSA-N 2 0 345.531 3.077 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)[C@H](C)C1 ZINC000162638635 454790326 /nfs/dbraw/zinc/79/03/26/454790326.db2.gz XPYLUPPLGFCBLE-UTKZUKDTSA-N 2 0 346.515 3.202 10 0 EGAERP CCCc1cc(N2CC[C@H](N3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125575892 454833090 /nfs/dbraw/zinc/83/30/90/454833090.db2.gz IQJRQWVJXBHJSI-KRWDZBQOSA-N 2 0 325.456 3.098 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271464 454835811 /nfs/dbraw/zinc/83/58/11/454835811.db2.gz YZNJOOAVUOVPRG-KRWDZBQOSA-N 2 0 335.923 3.236 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165944765 454906624 /nfs/dbraw/zinc/90/66/24/454906624.db2.gz KJRVZLNFTGRQTD-PKOBYXMFSA-N 2 0 331.504 3.059 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166459923 454911760 /nfs/dbraw/zinc/91/17/60/454911760.db2.gz HYPRKBQKCXHVFL-WIYYLYMNSA-N 2 0 346.515 3.245 10 0 EGAERP CC(C)OCC[C@@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000170606435 454940034 /nfs/dbraw/zinc/94/00/34/454940034.db2.gz MRKYPWVXNCMYRV-LEWJYISDSA-N 2 0 348.531 3.149 10 0 EGAERP O[C@@H](CN[C@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287670 454963407 /nfs/dbraw/zinc/96/34/07/454963407.db2.gz WQYKNPMNJPQUNI-HOCLYGCPSA-N 2 0 340.920 3.313 10 0 EGAERP CCOCc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000179882917 455093346 /nfs/dbraw/zinc/09/33/46/455093346.db2.gz JIJKPEBTUPABFJ-VQIMIIECSA-N 2 0 334.504 3.394 10 0 EGAERP C[C@@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C1CC1 ZINC000180137944 455138381 /nfs/dbraw/zinc/13/83/81/455138381.db2.gz HLABVCPMWARIRF-UPRUFMODSA-N 2 0 327.516 3.254 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719376 455364046 /nfs/dbraw/zinc/36/40/46/455364046.db2.gz HQFRSXMORBTZLG-OXJNMPFZSA-N 2 0 326.488 3.343 10 0 EGAERP Cc1nn(-c2ccccc2)c(C)c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000245743679 455370390 /nfs/dbraw/zinc/37/03/90/455370390.db2.gz MJIMMHLATHWCLV-KXBFYZLASA-N 2 0 326.488 3.404 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCCO[C@H]21 ZINC000245853644 455386401 /nfs/dbraw/zinc/38/64/01/455386401.db2.gz GTSJDCRHYSFAQO-IPMKNSEASA-N 2 0 329.488 3.091 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@]2(CO)CCCC(C)(C)C2)cc1 ZINC000623669412 460670918 /nfs/dbraw/zinc/67/09/18/460670918.db2.gz MGVTVBFBWQOCOJ-HXUWFJFHSA-N 2 0 334.504 3.048 10 0 EGAERP CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246491047 455500334 /nfs/dbraw/zinc/50/03/34/455500334.db2.gz RWDYGVZURRJVJK-ABSDTBQOSA-N 2 0 333.520 3.006 10 0 EGAERP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122976 455563152 /nfs/dbraw/zinc/56/31/52/455563152.db2.gz AMNIKKSRUVHDSA-VWWARQNISA-N 2 0 327.516 3.254 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000284415292 455683342 /nfs/dbraw/zinc/68/33/42/455683342.db2.gz QKRVGRJYQXIBQF-KRZXBLKESA-N 2 0 346.515 3.014 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000268895077 455721953 /nfs/dbraw/zinc/72/19/53/455721953.db2.gz ARVQBOHEEHUCCW-PMXSJFBMSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000269103923 455789918 /nfs/dbraw/zinc/78/99/18/455789918.db2.gz USDBAGXGVKUSDJ-STZQEDGTSA-N 2 0 338.495 3.263 10 0 EGAERP [NH3+]C[C@@H]1C[N@H+](Cc2cc(Cl)cc3c2OCC3)C[C@H]1c1ccccc1 ZINC000261650050 455921480 /nfs/dbraw/zinc/92/14/80/455921480.db2.gz FKFKBPQAZUDRAV-MJGOQNOKSA-N 2 0 342.870 3.449 10 0 EGAERP Cc1noc(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000272413742 455942399 /nfs/dbraw/zinc/94/23/99/455942399.db2.gz LWJWXERIPMPEPQ-LDLYASANSA-N 2 0 340.471 3.096 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@H](C[NH3+])c3ccc(F)cc3)n2)cc1 ZINC000261826155 455955084 /nfs/dbraw/zinc/95/50/84/455955084.db2.gz QWJYTYJCQIRERW-QGZVFWFLSA-N 2 0 340.402 3.028 10 0 EGAERP Cc1ncc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)n1-c1ccccc1 ZINC000261839356 455957286 /nfs/dbraw/zinc/95/72/86/455957286.db2.gz ZOHBEPLVESICPH-KNQAVFIVSA-N 2 0 346.478 3.355 10 0 EGAERP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572605 455999098 /nfs/dbraw/zinc/99/90/98/455999098.db2.gz IODFXVFSXAKRGI-NYVOZVTQSA-N 2 0 338.495 3.263 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000280936657 456087614 /nfs/dbraw/zinc/08/76/14/456087614.db2.gz FWWRPFJSVHGTJG-RNQOJCNYSA-N 2 0 344.499 3.218 10 0 EGAERP C[C@]1([NH3+])CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000263299148 456121305 /nfs/dbraw/zinc/12/13/05/456121305.db2.gz WVMZARQIBQIHHK-FPOVZHCZSA-N 2 0 343.515 3.196 10 0 EGAERP CCC(CC)(C[NH3+])C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000236684642 456168615 /nfs/dbraw/zinc/16/86/15/456168615.db2.gz QDPDOSCALDHEDO-UHFFFAOYSA-N 2 0 331.504 3.054 10 0 EGAERP Cc1cc(N2CCC[C@H]2C[N@@H+]2CCC[C@@H]2CO)c2cc(F)ccc2[nH+]1 ZINC000301733026 456201139 /nfs/dbraw/zinc/20/11/39/456201139.db2.gz UACVTJIJHRDRNU-DLBZAZTESA-N 2 0 343.446 3.108 10 0 EGAERP CCCc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](C)C2)c2ccccc2[nH+]1 ZINC000301789295 456215546 /nfs/dbraw/zinc/21/55/46/456215546.db2.gz MLXNDFQGETVRQQ-CVEARBPZSA-N 2 0 327.472 3.079 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000340477923 456484934 /nfs/dbraw/zinc/48/49/34/456484934.db2.gz XOJXWGGHRVCDCP-HXUWFJFHSA-N 2 0 341.503 3.078 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071393 456472963 /nfs/dbraw/zinc/47/29/63/456472963.db2.gz FDOCNLSOLXXIMN-HKUYNNGSSA-N 2 0 345.531 3.497 10 0 EGAERP C[C@@H]([NH2+]CCN1CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000657826397 462285772 /nfs/dbraw/zinc/28/57/72/462285772.db2.gz SZQNWKPLUQUBBC-MRXNPFEDSA-N 2 0 339.474 3.074 10 0 EGAERP C[C@@H](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000325315072 456682645 /nfs/dbraw/zinc/68/26/45/456682645.db2.gz BKEVTJMXUWCXRO-WMZOPIPTSA-N 2 0 329.488 3.247 10 0 EGAERP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)cc1F ZINC000353522902 456733714 /nfs/dbraw/zinc/73/37/14/456733714.db2.gz SPFLJWJTTJKGQF-QRQLOZEOSA-N 2 0 342.462 3.282 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000353525599 456736417 /nfs/dbraw/zinc/73/64/17/456736417.db2.gz HKULPZSBIDOQQV-TUFLPTIASA-N 2 0 327.516 3.113 10 0 EGAERP C[C@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292042308 456837290 /nfs/dbraw/zinc/83/72/90/456837290.db2.gz APCNKSYOPDIVFP-IIBYNOLFSA-N 2 0 337.467 3.194 10 0 EGAERP CC[C@@H]1C[C@@H](C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)CCO1 ZINC000356987293 457259562 /nfs/dbraw/zinc/25/95/62/457259562.db2.gz JSPKYQSISQSCRE-VQTJNVASSA-N 2 0 340.552 3.262 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccccc1Cl)C(=O)NCC[NH+](C)C ZINC000347217515 457294051 /nfs/dbraw/zinc/29/40/51/457294051.db2.gz GYLWHOOBYVRDCN-YOEHRIQHSA-N 2 0 339.911 3.083 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@@H](C)[C@H](c1ccccc1C)[NH+](C)C ZINC000355598389 457393339 /nfs/dbraw/zinc/39/33/39/457393339.db2.gz JGZJVKUIFPJWBU-ZIFCJYIRSA-N 2 0 348.535 3.016 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCC[NH+]1CC=C(C(C)(C)C)CC1 ZINC000356414338 457615101 /nfs/dbraw/zinc/61/51/01/457615101.db2.gz HDATZOMSPXRMDD-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000370883415 457732715 /nfs/dbraw/zinc/73/27/15/457732715.db2.gz KAHHOTQEBGFCPE-CWFSZBLJSA-N 2 0 332.463 3.116 10 0 EGAERP CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000433381656 457826904 /nfs/dbraw/zinc/82/69/04/457826904.db2.gz KZTKQMHESTYBIP-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367605176 457966865 /nfs/dbraw/zinc/96/68/65/457966865.db2.gz FNUUTWVKIVXQFC-RQUKQETFSA-N 2 0 330.516 3.079 10 0 EGAERP CC(C)(C)C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C1(C)C ZINC000412035699 458057629 /nfs/dbraw/zinc/05/76/29/458057629.db2.gz LLDJHKMJNBXQEC-MRXNPFEDSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H]([NH3+])[C@H](C)[NH2+][C@H](c1cccc(Br)c1)C1CCOCC1 ZINC000423441259 458433382 /nfs/dbraw/zinc/43/33/82/458433382.db2.gz BEOLEOYOXUQHED-MKBNYLNASA-N 2 0 341.293 3.242 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CCC(F)(F)CC1 ZINC000423505957 458445805 /nfs/dbraw/zinc/44/58/05/458445805.db2.gz IFMIFTXUHMPWJJ-ODIFPOPNSA-N 2 0 329.479 3.006 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000423512727 458447702 /nfs/dbraw/zinc/44/77/02/458447702.db2.gz PCEOHRHDUCMNFV-XFYJMZHFSA-N 2 0 327.516 3.431 10 0 EGAERP Brc1cccc2c1C[C@@H]([NH2+]CCC1=CC[NH2+]CC1)CC2 ZINC000423537955 458454987 /nfs/dbraw/zinc/45/49/87/458454987.db2.gz LKKGNXYGXDRXMC-HNNXBMFYSA-N 2 0 335.289 3.206 10 0 EGAERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000459731282 458460927 /nfs/dbraw/zinc/46/09/27/458460927.db2.gz LFHFFTACXVJHAX-CQSZACIVSA-N 2 0 330.394 3.449 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000459746971 458467606 /nfs/dbraw/zinc/46/76/06/458467606.db2.gz ZIYMFDPSIWEDMV-GOEBONIOSA-N 2 0 333.476 3.036 10 0 EGAERP CC[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482722 458505449 /nfs/dbraw/zinc/50/54/49/458505449.db2.gz HGXVBNTWAUGRRR-MFNRNEDNSA-N 2 0 347.469 3.112 10 0 EGAERP FC(F)(F)C1CC[NH+](C2CC(N[C@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486111 458506000 /nfs/dbraw/zinc/50/60/00/458506000.db2.gz QNORORVPMJTYNX-SOEBMCCKSA-N 2 0 345.453 3.008 10 0 EGAERP O[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438203937 458548204 /nfs/dbraw/zinc/54/82/04/458548204.db2.gz XGBSGXNTNAJBBW-LEWJYISDSA-N 2 0 346.515 3.203 10 0 EGAERP COc1ccc(Cl)cc1C(C)(C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000424198795 458582650 /nfs/dbraw/zinc/58/26/50/458582650.db2.gz JTALZRIYCMVSLQ-UHFFFAOYSA-N 2 0 336.867 3.173 10 0 EGAERP CC(C)(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000438726475 458612297 /nfs/dbraw/zinc/61/22/97/458612297.db2.gz SBZOGTOLIKRNFV-HXUWFJFHSA-N 2 0 343.515 3.106 10 0 EGAERP C(C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1)C1CC[NH2+]CC1 ZINC000530223538 458722338 /nfs/dbraw/zinc/72/23/38/458722338.db2.gz NLRYDFDZDGDVNK-UHFFFAOYSA-N 2 0 346.519 3.371 10 0 EGAERP c1ccc(OCCOCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441417364 458940296 /nfs/dbraw/zinc/94/02/96/458940296.db2.gz ZYHMCLIGYMVSQU-RXVVDRJESA-N 2 0 344.499 3.031 10 0 EGAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683419 458961336 /nfs/dbraw/zinc/96/13/36/458961336.db2.gz JSTGRJGEFHGDBB-NYUBLWNDSA-N 2 0 329.532 3.204 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@H]21)C1CC1 ZINC000556890673 459028887 /nfs/dbraw/zinc/02/88/87/459028887.db2.gz VCZZXIGKBOMGEK-DXBBTUNJSA-N 2 0 341.543 3.359 10 0 EGAERP Cc1ccc2ncc(C[NH2+]C[C@@H]3CSc4ccccc4O3)n2c1 ZINC000577869260 459111818 /nfs/dbraw/zinc/11/18/18/459111818.db2.gz AUBBZCUFVFJNDQ-OAHLLOKOSA-N 2 0 325.437 3.286 10 0 EGAERP CC(C)CC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCC1 ZINC000521193689 459128112 /nfs/dbraw/zinc/12/81/12/459128112.db2.gz NYDMEULIONDVEE-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482893738 459329459 /nfs/dbraw/zinc/32/94/59/459329459.db2.gz CAFOLQXBEKGEML-CEWLAPEOSA-N 2 0 329.532 3.361 10 0 EGAERP FC(F)(F)COc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)cn1 ZINC000569063386 459387203 /nfs/dbraw/zinc/38/72/03/459387203.db2.gz ZWFMBKIEWVIVSC-UHFFFAOYSA-N 2 0 340.349 3.125 10 0 EGAERP COC(=O)c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c(C)s1 ZINC000595901263 459480679 /nfs/dbraw/zinc/48/06/79/459480679.db2.gz UBVIXDPNMYXCKL-OAHLLOKOSA-N 2 0 336.501 3.055 10 0 EGAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000526001002 459529009 /nfs/dbraw/zinc/52/90/09/459529009.db2.gz GLHRSBLKMCKGID-IVMQYODDSA-N 2 0 329.488 3.319 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2c(C)nsc2C)CC1 ZINC000583419537 459534293 /nfs/dbraw/zinc/53/42/93/459534293.db2.gz OFYZTHSCQQEHBN-UHFFFAOYSA-N 2 0 339.549 3.330 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](CCO)[C@@H]1CCc2ccccc21 ZINC000542464671 459558693 /nfs/dbraw/zinc/55/86/93/459558693.db2.gz FCEPNXPLRILHJO-OAQYLSRUSA-N 2 0 348.450 3.058 10 0 EGAERP CCN(Cc1ccc2c(c1)C[NH2+]CC2)Cc1nc2ccccc2c(=O)[nH]1 ZINC000572847598 459585661 /nfs/dbraw/zinc/58/56/61/459585661.db2.gz IMNYPBZEPXRQCX-UHFFFAOYSA-N 2 0 348.450 3.003 10 0 EGAERP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[N@@H+]1C1CC1 ZINC000563120616 459717669 /nfs/dbraw/zinc/71/76/69/459717669.db2.gz AJENZUFOUJCFGL-MISYRCLQSA-N 2 0 339.527 3.398 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NCC[NH+]3CCCCC3)CC23CC3)cc1 ZINC000574518258 459828411 /nfs/dbraw/zinc/82/84/11/459828411.db2.gz YZUWFLGQGOKWKG-FQEVSTJZSA-N 2 0 327.516 3.259 10 0 EGAERP COC(=O)c1ccc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)cc1Cl ZINC000597074501 459830667 /nfs/dbraw/zinc/83/06/67/459830667.db2.gz DEBMJGTWFWENLG-UHFFFAOYSA-N 2 0 346.858 3.478 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(C2CCC2)cc1)CN1CC[NH+](C)CC1 ZINC000631574738 460451488 /nfs/dbraw/zinc/45/14/88/460451488.db2.gz FGDWVIWZRKWHNQ-MSOLQXFVSA-N 2 0 329.532 3.488 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623360893 460509172 /nfs/dbraw/zinc/50/91/72/460509172.db2.gz CWHYREQKCNYITA-HXUWFJFHSA-N 2 0 329.532 3.422 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)CC1(C)C ZINC000623379285 460518471 /nfs/dbraw/zinc/51/84/71/460518471.db2.gz HNDIDIRSNCOVQY-GJZGRUSLSA-N 2 0 337.458 3.254 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392955 460523986 /nfs/dbraw/zinc/52/39/86/460523986.db2.gz UTIODSHAAMWGMA-AWEZNQCLSA-N 2 0 337.895 3.439 10 0 EGAERP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCCN(C)C1 ZINC000623870712 460753967 /nfs/dbraw/zinc/75/39/67/460753967.db2.gz KIMGALHNMWVMAQ-CMPLNLGQSA-N 2 0 335.801 3.369 10 0 EGAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520491 460792989 /nfs/dbraw/zinc/79/29/89/460792989.db2.gz WICMCPXDHSJVIX-YRNRMSPPSA-N 2 0 337.467 3.099 10 0 EGAERP [NH3+]C1(C[NH2+][C@H](c2cccc(C(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629525609 460796198 /nfs/dbraw/zinc/79/61/98/460796198.db2.gz XRWPZYJMABBPBP-HNNXBMFYSA-N 2 0 328.378 3.254 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H](c2cccc(C(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629525610 460796366 /nfs/dbraw/zinc/79/63/66/460796366.db2.gz XRWPZYJMABBPBP-OAHLLOKOSA-N 2 0 328.378 3.254 10 0 EGAERP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1F ZINC000629532393 460799282 /nfs/dbraw/zinc/79/92/82/460799282.db2.gz YPYHLTXJUBADRQ-YUSALJHKSA-N 2 0 345.231 3.205 10 0 EGAERP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000629532394 460799962 /nfs/dbraw/zinc/79/99/62/460799962.db2.gz YPYHLTXJUBADRQ-ZMLRMANQSA-N 2 0 345.231 3.205 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000621338853 460995988 /nfs/dbraw/zinc/99/59/88/460995988.db2.gz NQAHKCYRIGYCFJ-UHFFFAOYSA-N 2 0 340.515 3.337 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000617930174 461029518 /nfs/dbraw/zinc/02/95/18/461029518.db2.gz YGIJFJWLOFZEIQ-HXUWFJFHSA-N 2 0 345.531 3.473 10 0 EGAERP Cc1cc(CN(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)ncc1Br ZINC000628183446 461035103 /nfs/dbraw/zinc/03/51/03/461035103.db2.gz BVWDQFRBATZTNV-JSGCOSHPSA-N 2 0 326.282 3.067 10 0 EGAERP c1ccc(N2CC[C@@H](C[NH+]3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000637905668 461118446 /nfs/dbraw/zinc/11/84/46/461118446.db2.gz NHUIWQMEDBMVSV-FQEVSTJZSA-N 2 0 327.516 3.321 10 0 EGAERP CC(C)[C@H]([NH3+])CCNC(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC000658986875 461126784 /nfs/dbraw/zinc/12/67/84/461126784.db2.gz JGYUIBUBOOGQKW-LJQANCHMSA-N 2 0 346.519 3.210 10 0 EGAERP CCc1ccc([C@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662279826 461162557 /nfs/dbraw/zinc/16/25/57/461162557.db2.gz MASQXMICGSEDEC-JOCHJYFZSA-N 2 0 336.479 3.468 10 0 EGAERP CCn1c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc2cc(F)ccc21 ZINC000662293778 461173012 /nfs/dbraw/zinc/17/30/12/461173012.db2.gz NSIKHLFMIKZKLE-MRXNPFEDSA-N 2 0 344.478 3.407 10 0 EGAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CCO1 ZINC000662323608 461192314 /nfs/dbraw/zinc/19/23/14/461192314.db2.gz ODSPCXFZUOCQPN-GOSISDBHSA-N 2 0 349.906 3.337 10 0 EGAERP CC(C)O[C@@H](C[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662324801 461192362 /nfs/dbraw/zinc/19/23/62/461192362.db2.gz YBFIFTFZMTWHDX-PMACEKPBSA-N 2 0 334.504 3.195 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CO[C@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713322 461392229 /nfs/dbraw/zinc/39/22/29/461392229.db2.gz MQESQTKLGUAKAU-ACRUOGEOSA-N 2 0 340.511 3.446 10 0 EGAERP COc1ccc(C[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)c2ccccc12 ZINC000668785883 461434045 /nfs/dbraw/zinc/43/40/45/461434045.db2.gz PZUSPVVMSRWFHH-SFHVURJKSA-N 2 0 342.483 3.391 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000655802721 461464628 /nfs/dbraw/zinc/46/46/28/461464628.db2.gz IFRSLFXVFAACQV-SLFFLAALSA-N 2 0 327.516 3.113 10 0 EGAERP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000655805137 461465433 /nfs/dbraw/zinc/46/54/33/461465433.db2.gz CXSCWOMXTBZCLD-RVSPLBMKSA-N 2 0 347.894 3.220 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806691 461466412 /nfs/dbraw/zinc/46/64/12/461466412.db2.gz ZLTCULFXJQBPFY-RLFYNMQTSA-N 2 0 332.492 3.207 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCS[C@@H]2C)CC1 ZINC000647257980 461593564 /nfs/dbraw/zinc/59/35/64/461593564.db2.gz HNJGFCIQLBCJOZ-AEFFLSMTSA-N 2 0 333.545 3.202 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C1 ZINC000656193822 461640655 /nfs/dbraw/zinc/64/06/55/461640655.db2.gz UXQIQMANISOJJL-BZPMIXESSA-N 2 0 325.250 3.132 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000663499321 461673066 /nfs/dbraw/zinc/67/30/66/461673066.db2.gz IZVXNVUKHJADJO-DLBZAZTESA-N 2 0 340.895 3.361 10 0 EGAERP COc1cc2cc[nH+]c(N3CCC[C@H]4C[N@H+](C)CC[C@H]43)c2cc1OC ZINC000663729524 461776092 /nfs/dbraw/zinc/77/60/92/461776092.db2.gz QLGQCZIEVMXISJ-DOTOQJQBSA-N 2 0 341.455 3.173 10 0 EGAERP c1nc2c([nH]1)C[C@@H]([NH2+][C@@H]1CCN(C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639190776 461792752 /nfs/dbraw/zinc/79/27/52/461792752.db2.gz CJFMYWQSJHUAKK-FVJLSDCUSA-N 3 0 336.483 3.225 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000647801473 461843090 /nfs/dbraw/zinc/84/30/90/461843090.db2.gz WSRNWYULGLJKFP-SNVBAGLBSA-N 2 0 335.354 3.021 10 0 EGAERP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784804 461893689 /nfs/dbraw/zinc/89/36/89/461893689.db2.gz HLXNESVRGWADIS-QGZVFWFLSA-N 2 0 326.488 3.268 10 0 EGAERP C[N@@H+]1CC[C@@]2(C1)CCCN(CCCc1nc(-c3cccs3)no1)C2 ZINC000660655221 461905761 /nfs/dbraw/zinc/90/57/61/461905761.db2.gz KPBASKHWBVBJTJ-GOSISDBHSA-N 2 0 346.500 3.148 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)c(OC)c(OC)c1 ZINC000650718680 461911547 /nfs/dbraw/zinc/91/15/47/461911547.db2.gz SSVKFTNYIHNFOU-UHFFFAOYSA-N 2 0 334.847 3.366 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)ccc1OC(F)F ZINC000650719647 461911611 /nfs/dbraw/zinc/91/16/11/461911611.db2.gz XNAJLVILWLVKAC-UHFFFAOYSA-N 2 0 336.382 3.306 10 0 EGAERP Cc1ccccc1-n1cc(CN(C)C2CC[NH+](C(C)C)CC2)cn1 ZINC000648000392 461929075 /nfs/dbraw/zinc/92/90/75/461929075.db2.gz GZUBIHWJCWLPGQ-UHFFFAOYSA-N 2 0 326.488 3.485 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000650748018 461930491 /nfs/dbraw/zinc/93/04/91/461930491.db2.gz LMXVHWTWJSHUSE-VAMGGRTRSA-N 3 0 327.516 3.148 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc(NC(C)=O)cc1OC ZINC000650756720 461936729 /nfs/dbraw/zinc/93/67/29/461936729.db2.gz IJJCKLUJMZSKFX-CQSZACIVSA-N 2 0 341.455 3.224 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C(C)C)C1(CO)CC=CC1 ZINC000648070107 461966955 /nfs/dbraw/zinc/96/69/55/461966955.db2.gz ZDWYYDQPXLSFHJ-IBGZPJMESA-N 2 0 340.471 3.019 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657348221 462062224 /nfs/dbraw/zinc/06/22/24/462062224.db2.gz OLBTXCMLZYADCZ-SFHVURJKSA-N 2 0 327.476 3.012 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(CC)CC ZINC000657390494 462092574 /nfs/dbraw/zinc/09/25/74/462092574.db2.gz WSDZLEIDSFJWPS-MSOLQXFVSA-N 2 0 328.460 3.341 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000648450085 462123417 /nfs/dbraw/zinc/12/34/17/462123417.db2.gz RSPYYFLYDREVNU-GCJKJVERSA-N 2 0 341.543 3.156 10 0 EGAERP Cc1[nH+]c2ccccc2c(N2CCO[C@@H](CCC[NH+](C)C)C2)c1C ZINC000664659421 462143635 /nfs/dbraw/zinc/14/36/35/462143635.db2.gz XISCZMGZTYELSN-KRWDZBQOSA-N 2 0 327.472 3.399 10 0 EGAERP CC(C)Oc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536898 462171553 /nfs/dbraw/zinc/17/15/53/462171553.db2.gz TUEDFENOQRBKIT-UHFFFAOYSA-N 2 0 346.515 3.454 10 0 EGAERP C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1CCCN(c2ccccc2)C1 ZINC000667652134 462192283 /nfs/dbraw/zinc/19/22/83/462192283.db2.gz TVNJHPWKFLKWQR-HXUWFJFHSA-N 2 0 347.466 3.368 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@H]3Cc4cc(F)ccc4[C@@H]23)cc1 ZINC000657790679 462266920 /nfs/dbraw/zinc/26/69/20/462266920.db2.gz MQEKLKVMNIDQMK-PWRODBHTSA-N 2 0 340.442 3.194 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000648814387 462290091 /nfs/dbraw/zinc/29/00/91/462290091.db2.gz XTIJTJXXTYXNQN-NRFANRHFSA-N 2 0 344.499 3.164 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000657873925 462304729 /nfs/dbraw/zinc/30/47/29/462304729.db2.gz OPDFBCSXFTYYTE-SFHVURJKSA-N 2 0 334.529 3.019 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713789 462312030 /nfs/dbraw/zinc/31/20/30/462312030.db2.gz DOTGESZRRRAQPY-GOEBONIOSA-N 2 0 340.870 3.293 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969716 462331418 /nfs/dbraw/zinc/33/14/18/462331418.db2.gz UESZZDUNHHDOHA-NEWSRXKRSA-N 2 0 338.536 3.061 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@H](C)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969717 462331854 /nfs/dbraw/zinc/33/18/54/462331854.db2.gz UESZZDUNHHDOHA-QRQLOZEOSA-N 2 0 338.536 3.061 10 0 EGAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CCCSCC1 ZINC000657970126 462332227 /nfs/dbraw/zinc/33/22/27/462332227.db2.gz YGOGOEQTVGPUQW-RBUKOAKNSA-N 2 0 334.529 3.019 10 0 EGAERP Cc1ccnc(OC2CCN(Cc3ccnn3-c3cc[nH+]cc3)CC2)c1 ZINC000667964914 462350331 /nfs/dbraw/zinc/35/03/31/462350331.db2.gz UYXIZPWGZIFALC-UHFFFAOYSA-N 2 0 349.438 3.014 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@H]1CC[NH+]1C(C)(C)C ZINC000658060389 462361533 /nfs/dbraw/zinc/36/15/33/462361533.db2.gz ZDGPUTAXZFVUGG-MISYRCLQSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc2c(c1)COC2 ZINC000658067772 462364744 /nfs/dbraw/zinc/36/47/44/462364744.db2.gz QKKFEUPIEQSNON-INIZCTEOSA-N 2 0 344.499 3.258 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658070107 462367543 /nfs/dbraw/zinc/36/75/43/462367543.db2.gz UTNZPXFSOKAXJC-KRWDZBQOSA-N 2 0 346.515 3.107 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000665282102 462383662 /nfs/dbraw/zinc/38/36/62/462383662.db2.gz QUNOFSXGSPUZJQ-DOIPELPJSA-N 3 0 329.532 3.393 10 0 EGAERP Cc1ccncc1CC[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658127749 462396654 /nfs/dbraw/zinc/39/66/54/462396654.db2.gz VSQPAQMEDLCNLL-KRWDZBQOSA-N 2 0 327.472 3.224 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658136252 462400788 /nfs/dbraw/zinc/40/07/88/462400788.db2.gz GJQRLBPKLDCMHH-LEWJYISDSA-N 2 0 339.483 3.279 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccnc1 ZINC000658138788 462402882 /nfs/dbraw/zinc/40/28/82/462402882.db2.gz OFASBYYHRNACEZ-LEWJYISDSA-N 2 0 339.483 3.135 10 0 EGAERP COC1([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CCCCC1 ZINC000658142523 462404922 /nfs/dbraw/zinc/40/49/22/462404922.db2.gz ZSFVXIHUIGEIPL-FXAWDEMLSA-N 2 0 346.515 3.081 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000658169601 462417389 /nfs/dbraw/zinc/41/73/89/462417389.db2.gz HJMNJBOXIMAUOM-YJBOKZPZSA-N 2 0 338.442 3.096 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319434 462474626 /nfs/dbraw/zinc/47/46/26/462474626.db2.gz AVNIYSHWDUPZND-PXNSSMCTSA-N 2 0 338.499 3.373 10 0 EGAERP O[C@H]1CC[N@@H+](C2CC[NH+](CCCc3cccc4ccccc43)CC2)C1 ZINC000662155020 462532324 /nfs/dbraw/zinc/53/23/24/462532324.db2.gz IMVCKYOYSSDKDE-NRFANRHFSA-N 2 0 338.495 3.303 10 0 EGAERP C[C@H]1C[C@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000093645044 546686669 /nfs/dbraw/zinc/68/66/69/546686669.db2.gz YVWGNEWGSUPQPX-AZUAARDMSA-N 2 0 345.531 3.076 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC[C@@H]2CCOC2)c1 ZINC000167222600 546990848 /nfs/dbraw/zinc/99/08/48/546990848.db2.gz SGPXTJNUVILWEP-QZTJIDSGSA-N 2 0 346.515 3.230 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000671743163 548350130 /nfs/dbraw/zinc/35/01/30/548350130.db2.gz LPWJVKTZRADPCB-FDFHNCONSA-N 3 0 341.543 3.361 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000674069179 548684418 /nfs/dbraw/zinc/68/44/18/548684418.db2.gz CNNLEYZAPHCYHG-GOSISDBHSA-N 2 0 339.483 3.450 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@@H]2CCOC2)CC1 ZINC000678152144 549411444 /nfs/dbraw/zinc/41/14/44/549411444.db2.gz XNHQLIWGTKMHDN-IBGZPJMESA-N 2 0 345.531 3.077 10 0 EGAERP COCC[C@H]1CCCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681084421 549951749 /nfs/dbraw/zinc/95/17/49/549951749.db2.gz ILLYYPPUUXSGIF-GOSISDBHSA-N 2 0 334.504 3.266 10 0 EGAERP C[C@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)C1CC[NH+](C)CC1 ZINC000682376363 550091014 /nfs/dbraw/zinc/09/10/14/550091014.db2.gz FJIIOKHFKWDNAQ-HNNXBMFYSA-N 2 0 335.923 3.018 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCN(c2cc[nH+]cc2)CC1 ZINC000684567067 550343467 /nfs/dbraw/zinc/34/34/67/550343467.db2.gz ZRLPTSVLNWZMBV-UHFFFAOYSA-N 2 0 338.386 3.104 10 0 EGAERP CC[NH+](CC)C1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000066395069 1292114558 /nfs/dbraw/zinc/11/45/58/1292114558.db2.gz NVMTVRLNKFXKJT-UHFFFAOYSA-N 2 0 343.515 3.229 10 0 EGAERP CCc1oc2ccccc2c1C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000075762596 1292409247 /nfs/dbraw/zinc/40/92/47/1292409247.db2.gz FTIPEUJDMAMTBU-UHFFFAOYSA-N 2 0 329.488 3.111 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000156550264 1294148315 /nfs/dbraw/zinc/14/83/15/1294148315.db2.gz PVXDPXKTRFULDE-QGZVFWFLSA-N 2 0 339.524 3.098 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000235366922 1296184705 /nfs/dbraw/zinc/18/47/05/1296184705.db2.gz MUNBEGOVTVEYGX-IPYPFGDCSA-N 2 0 325.294 3.297 10 0 EGAERP CC[N@@H+]1CCC[C@@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236860355 1296206898 /nfs/dbraw/zinc/20/68/98/1296206898.db2.gz AUHVSHFFQKXWJT-FQEVSTJZSA-N 2 0 331.548 3.466 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC2CCC(C)([NH+](C)C)CC2)o1 ZINC000871357551 1296366712 /nfs/dbraw/zinc/36/67/12/1296366712.db2.gz NORLQMIABLXRCB-UHFFFAOYSA-N 2 0 335.492 3.114 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000871359276 1296368614 /nfs/dbraw/zinc/36/86/14/1296368614.db2.gz ZSFFKJLWVXTEGK-ZRZPHAQCSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000872024706 1296667939 /nfs/dbraw/zinc/66/79/39/1296667939.db2.gz DEWCDPXYNLVSCO-HSALFYBXSA-N 2 0 334.479 3.378 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000872110401 1296736746 /nfs/dbraw/zinc/73/67/46/1296736746.db2.gz YQOLSPCUTXFJLD-RKOGWWSCSA-N 2 0 332.488 3.235 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)c1cc2ccccc2o1)[N@H+](C)CCCCCC[NH3+] ZINC000872155688 1296773715 /nfs/dbraw/zinc/77/37/15/1296773715.db2.gz YLQSZLGTVCWDEY-JKSUJKDBSA-N 2 0 345.487 3.449 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCCCCC[NH3+] ZINC000872155312 1296774525 /nfs/dbraw/zinc/77/45/25/1296774525.db2.gz HQNANGIMUDUTEB-HNNXBMFYSA-N 2 0 328.460 3.013 10 0 EGAERP C[C@@H]1C[C@H](N(C[C@H]2CCC[NH2+]C2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000302606012 1296802721 /nfs/dbraw/zinc/80/27/21/1296802721.db2.gz JWIXXOAWGLOJFT-LMNJBCLMSA-N 2 0 327.516 3.113 10 0 EGAERP CN(C(=O)OC(C)(C)C)C1CCC([NH2+][C@@H]2CCC[N@H+](C)CC2)CC1 ZINC000310051374 1297084691 /nfs/dbraw/zinc/08/46/91/1297084691.db2.gz JHTGEOPPJDMEFV-KLAILNCOSA-N 2 0 339.524 3.238 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC12CCC2 ZINC000310055684 1297086237 /nfs/dbraw/zinc/08/62/37/1297086237.db2.gz GAJVGWNDDZZUGE-XHSDSOJGSA-N 2 0 337.508 3.168 10 0 EGAERP CC(C)[NH+]1CCC(NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310066040 1297086914 /nfs/dbraw/zinc/08/69/14/1297086914.db2.gz BLGWECMGPUAZHJ-FQEVSTJZSA-N 2 0 329.532 3.361 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c2c(c1)OCCCO2 ZINC000873233091 1297374667 /nfs/dbraw/zinc/37/46/67/1297374667.db2.gz ZWCFKGUPOSMAFI-GOSISDBHSA-N 2 0 330.472 3.250 10 0 EGAERP c1ccc(C[N@H+]2CCCC[C@H]2CN2CCC[C@H]([NH2+]C3CC3)C2)cc1 ZINC000379696379 1297537886 /nfs/dbraw/zinc/53/78/86/1297537886.db2.gz XDTAITDDIJVTKH-SFTDATJTSA-N 2 0 327.516 3.258 10 0 EGAERP CC(C)[C@H](CN(C)Cc1ccccc1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000397994309 1297709436 /nfs/dbraw/zinc/70/94/36/1297709436.db2.gz BJPDQNFJJMWCEY-VTHDOGFWSA-N 2 0 329.532 3.358 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC2(CO1)CCOCC2)c1cccc(-n2ccnc2)c1 ZINC000878396445 1299970569 /nfs/dbraw/zinc/97/05/69/1299970569.db2.gz IKNNVCWTSQFAGP-QFBILLFUSA-N 2 0 341.455 3.109 10 0 EGAERP CCC[C@H](C)[C@@H](CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886631244 1303533567 /nfs/dbraw/zinc/53/35/67/1303533567.db2.gz HZOZEYRRMVUWLL-JBINPLMMSA-N 2 0 330.516 3.426 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C[C@@H](C)O1 ZINC000858092772 1328679951 /nfs/dbraw/zinc/67/99/51/1328679951.db2.gz ZNUHPNWAWMYMLN-HZPDHXFCSA-N 2 0 343.446 3.120 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858119067 1328687682 /nfs/dbraw/zinc/68/76/82/1328687682.db2.gz LDJWMZHNRKXRNO-HZPDHXFCSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858109973 1328685185 /nfs/dbraw/zinc/68/51/85/1328685185.db2.gz FALYMANWTLWYFK-GDBMZVCRSA-N 2 0 331.460 3.167 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@@H](CNC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858173586 1328703433 /nfs/dbraw/zinc/70/34/33/1328703433.db2.gz GJVLTNLQEQAWCX-PMPSAXMXSA-N 2 0 339.524 3.142 10 0 EGAERP CC(C)Cc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@@H](C)C1 ZINC000930135883 1328795061 /nfs/dbraw/zinc/79/50/61/1328795061.db2.gz HMYHACDGQNWDIY-UGKGYDQZSA-N 2 0 343.559 3.343 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@H]1CCOC1(C)C ZINC000859321678 1328968238 /nfs/dbraw/zinc/96/82/38/1328968238.db2.gz PJYZYQOUHASTSD-IYBDPMFKSA-N 2 0 342.600 3.009 10 0 EGAERP CN(C)CC[C@@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000922629261 1322575045 /nfs/dbraw/zinc/57/50/45/1322575045.db2.gz VDOKEZAVIGYXMR-QFBILLFUSA-N 2 0 325.456 3.230 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000922969076 1322665799 /nfs/dbraw/zinc/66/57/99/1322665799.db2.gz VKBQWCRTURARLS-PMPSAXMXSA-N 2 0 339.524 3.142 10 0 EGAERP C[C@@H]([NH3+])C1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000923284278 1322724736 /nfs/dbraw/zinc/72/47/36/1322724736.db2.gz LBQAFAUVGPLSQB-ISTRZQFTSA-N 2 0 342.405 3.228 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376100 1322742100 /nfs/dbraw/zinc/74/21/00/1322742100.db2.gz HVOPOSKTDBULLJ-NXEZZACHSA-N 2 0 333.234 3.162 10 0 EGAERP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449552 1322753604 /nfs/dbraw/zinc/75/36/04/1322753604.db2.gz OWFJJBGLEKXWSA-TZMCWYRMSA-N 2 0 326.843 3.370 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)cc1Cl)CC2 ZINC000923449637 1322753688 /nfs/dbraw/zinc/75/36/88/1322753688.db2.gz PNYIGYVEKACFIX-AWEZNQCLSA-N 2 0 329.271 3.323 10 0 EGAERP C[C@@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923451020 1322754136 /nfs/dbraw/zinc/75/41/36/1322754136.db2.gz KTWYLHPXUUZZFD-DOTOQJQBSA-N 2 0 341.455 3.232 10 0 EGAERP [NH3+]CC[C@@H]1CC[N@H+](Cc2cc(Br)cc3cccnc32)C1 ZINC000923482161 1322760020 /nfs/dbraw/zinc/76/00/20/1322760020.db2.gz CGTCTWGXOGLQRX-GFCCVEGCSA-N 2 0 334.261 3.168 10 0 EGAERP C[C@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504117 1322764410 /nfs/dbraw/zinc/76/44/10/1322764410.db2.gz NYKYFQJTIJZBJF-INMHGKMJSA-N 2 0 325.456 3.084 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccc(C[NH2+]C3[C@H](C)COC[C@H]3C)cc2)C[C@@H](C)O1 ZINC000924609426 1323073921 /nfs/dbraw/zinc/07/39/21/1323073921.db2.gz HHDPNKCOJWDTOU-BRSBDYLESA-N 2 0 346.515 3.056 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)[C@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924956150 1323227556 /nfs/dbraw/zinc/22/75/56/1323227556.db2.gz UBSMHHDFZOEYFW-YWZLYKJASA-N 2 0 349.494 3.103 10 0 EGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924992030 1323238246 /nfs/dbraw/zinc/23/82/46/1323238246.db2.gz KWJGSLIQTDVLAV-RYUDHWBXSA-N 2 0 335.439 3.053 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3CCCCC3)o2)CC1 ZINC000931282491 1329085173 /nfs/dbraw/zinc/08/51/73/1329085173.db2.gz CVFOZNDQXBFGNI-UHFFFAOYSA-N 2 0 347.503 3.117 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)C1 ZINC000925478059 1325167338 /nfs/dbraw/zinc/16/73/38/1325167338.db2.gz HBTKDDZBDWLXBL-HKUYNNGSSA-N 2 0 333.495 3.286 10 0 EGAERP CC1(C)[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925495285 1325176163 /nfs/dbraw/zinc/17/61/63/1325176163.db2.gz TWQRCQVVVYRPIK-HSALFYBXSA-N 2 0 327.516 3.017 10 0 EGAERP FC(F)(F)c1csc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925524987 1325190335 /nfs/dbraw/zinc/19/03/35/1325190335.db2.gz CVGUGYVOPAAGBB-STQMWFEESA-N 2 0 347.450 3.462 10 0 EGAERP Cc1cccc2oc(CC[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)nc21 ZINC000925525326 1325191281 /nfs/dbraw/zinc/19/12/81/1325191281.db2.gz BRLVHEYKUYGMKZ-SJORKVTESA-N 2 0 327.472 3.437 10 0 EGAERP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925561618 1325210836 /nfs/dbraw/zinc/21/08/36/1325210836.db2.gz KZFGQOLTXQVRJW-QGTPRVQTSA-N 2 0 331.504 3.211 10 0 EGAERP c1cc2c(cc1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)OCCO2 ZINC000925581634 1325219671 /nfs/dbraw/zinc/21/96/71/1325219671.db2.gz UDPYVNKROOBIQW-OALUTQOASA-N 2 0 344.499 3.148 10 0 EGAERP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)n1 ZINC000925595855 1325225947 /nfs/dbraw/zinc/22/59/47/1325225947.db2.gz UQBXJDRHNBPPFD-SJORKVTESA-N 2 0 342.487 3.337 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000925597851 1325227835 /nfs/dbraw/zinc/22/78/35/1325227835.db2.gz OJQYPMPXSIBDEH-LSDHHAIUSA-N 2 0 348.878 3.428 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000925625582 1325235780 /nfs/dbraw/zinc/23/57/80/1325235780.db2.gz GRDAEERWAHCOHM-DACLVMHWSA-N 2 0 337.458 3.206 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1)c1ccccc1 ZINC000925653447 1325248946 /nfs/dbraw/zinc/24/89/46/1325248946.db2.gz HAYCRNDLWDKFLM-HSALFYBXSA-N 2 0 343.515 3.237 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925674899 1325258090 /nfs/dbraw/zinc/25/80/90/1325258090.db2.gz FAGKBTZGOJPKJD-QXGSTGNESA-N 2 0 331.479 3.018 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925677046 1325259051 /nfs/dbraw/zinc/25/90/51/1325259051.db2.gz MZVOXQJQGVPOHD-CVEARBPZSA-N 2 0 341.421 3.401 10 0 EGAERP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1C[NH2+]CCC1(F)F ZINC000925779379 1325296804 /nfs/dbraw/zinc/29/68/04/1325296804.db2.gz YCGPUDXWGDIGEK-YPMHNXCESA-N 2 0 336.348 3.471 10 0 EGAERP c1ccc(CN2CCC([NH2+]CCCCCC3CC[NH2+]CC3)CC2)nc1 ZINC000925809166 1325311496 /nfs/dbraw/zinc/31/14/96/1325311496.db2.gz AVFDNIOUQUGSSF-UHFFFAOYSA-N 2 0 344.547 3.196 10 0 EGAERP CC(C)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000925815186 1325313658 /nfs/dbraw/zinc/31/36/58/1325313658.db2.gz OUISKWGYNCLJGQ-QGZVFWFLSA-N 2 0 343.437 3.415 10 0 EGAERP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)O1 ZINC000925831528 1325320136 /nfs/dbraw/zinc/32/01/36/1325320136.db2.gz UDZCBJLROGZEJQ-JKJDWNRSSA-N 2 0 334.426 3.387 10 0 EGAERP CC1(C)CC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925850434 1325328995 /nfs/dbraw/zinc/32/89/95/1325328995.db2.gz OQECALZMECYLMY-QAPCUYQASA-N 2 0 342.483 3.074 10 0 EGAERP CC(C)(C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925850560 1325329756 /nfs/dbraw/zinc/32/97/56/1325329756.db2.gz JINUPIIZAUHQFC-IXDOHACOSA-N 2 0 336.520 3.256 10 0 EGAERP CCc1ccc([C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C(C)C)cc1 ZINC000925857736 1325332677 /nfs/dbraw/zinc/33/26/77/1325332677.db2.gz QLRAPBFMCUNOEH-RTBURBONSA-N 2 0 344.499 3.221 10 0 EGAERP COc1ccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1O ZINC000925882395 1325342058 /nfs/dbraw/zinc/34/20/58/1325342058.db2.gz OTECIJJHCGQBMT-ZTQAJYAQSA-N 2 0 326.440 3.111 10 0 EGAERP Cc1nc2c(s1)[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c3ccccc3)C1)CCC2 ZINC000925887687 1325344124 /nfs/dbraw/zinc/34/41/24/1325344124.db2.gz JVNLMNHWOXLULC-VDZJLULYSA-N 2 0 327.497 3.478 10 0 EGAERP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925887534 1325344672 /nfs/dbraw/zinc/34/46/72/1325344672.db2.gz GHSRNGMCISAYKE-OUFMZXHOSA-N 2 0 349.522 3.471 10 0 EGAERP C[C@H]1[C@@H](NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000926337340 1325519573 /nfs/dbraw/zinc/51/95/73/1325519573.db2.gz NZKICEXSAFYFKO-RLHVNXBHSA-N 2 0 327.516 3.256 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n(C)n1 ZINC000926337460 1325519755 /nfs/dbraw/zinc/51/97/55/1325519755.db2.gz PFNFBXHOFMFVTN-KTLDDFEXSA-N 2 0 330.520 3.046 10 0 EGAERP CC(C)(C)[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000926591624 1327628430 /nfs/dbraw/zinc/62/84/30/1327628430.db2.gz QUXOQIXVYLELMU-LJQANCHMSA-N 2 0 330.516 3.428 10 0 EGAERP Cc1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1C ZINC000926910273 1327772124 /nfs/dbraw/zinc/77/21/24/1327772124.db2.gz JZVPDEVAYSTIGI-MZADTFQBSA-N 2 0 338.499 3.056 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]2C[C@H]([NH2+]C[C@@H]2C=C[C@H]4C[C@@H]2CO4)C3)cc1 ZINC000926939509 1327785757 /nfs/dbraw/zinc/78/57/57/1327785757.db2.gz VQGPEXVDHMILBO-RBFKZVKLSA-N 2 0 338.495 3.220 10 0 EGAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037677 1327827142 /nfs/dbraw/zinc/82/71/42/1327827142.db2.gz KCAVXTGCDSWFSS-MPQSDHOMSA-N 2 0 343.515 3.425 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCOC2CCOCC2)CC1 ZINC000927080785 1327849329 /nfs/dbraw/zinc/84/93/29/1327849329.db2.gz WJEONOQNJCXPBQ-UHFFFAOYSA-N 2 0 346.515 3.215 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)CC1 ZINC000927155470 1327896416 /nfs/dbraw/zinc/89/64/16/1327896416.db2.gz KHLKNQBEZDXOQW-OYRHEFFESA-N 2 0 330.516 3.179 10 0 EGAERP CCOc1cc(F)cc(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000865417219 1329694492 /nfs/dbraw/zinc/69/44/92/1329694492.db2.gz CKHQOLVZUYVBHG-UHFFFAOYSA-N 2 0 346.446 3.455 10 0 EGAERP CC[N@H+](CCC[NH2+]C1CCC(CNC(C)=O)CC1)C1CCCCC1 ZINC000865617843 1329720609 /nfs/dbraw/zinc/72/06/09/1329720609.db2.gz RIMDXTRWKZTVPH-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cnc3ccccn23)(c2ccccc2)CC1 ZINC000865773563 1329737026 /nfs/dbraw/zinc/73/70/26/1329737026.db2.gz DGFQDQMIUXHNFD-UHFFFAOYSA-N 2 0 334.467 3.088 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000866516354 1330120960 /nfs/dbraw/zinc/12/09/60/1330120960.db2.gz PWLMBPFNKULERF-NXVRBGIVSA-N 2 0 338.517 3.004 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000866517107 1330121052 /nfs/dbraw/zinc/12/10/52/1330121052.db2.gz WOIOQLYBVRBJQY-LSJNQWAISA-N 2 0 327.476 3.181 10 0 EGAERP CC(C)[NH+](CCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1)C(C)C ZINC000868184164 1330259997 /nfs/dbraw/zinc/25/99/97/1330259997.db2.gz IQFFZAZTQPYLOA-ZWKOTPCHSA-N 2 0 332.492 3.132 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001323147992 1387302910 /nfs/dbraw/zinc/30/29/10/1387302910.db2.gz IPASJDNATORLOE-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H]1CN(C(=O)Cc2cncn2C)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001323157520 1387303842 /nfs/dbraw/zinc/30/38/42/1387303842.db2.gz DONGTWOGFSNUEL-FUHWJXTLSA-N 2 0 348.535 3.006 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001323287753 1387324027 /nfs/dbraw/zinc/32/40/27/1387324027.db2.gz UHUGARSGXPFWJT-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001323669705 1387421068 /nfs/dbraw/zinc/42/10/68/1387421068.db2.gz JWEPCOBKHDHSHE-YQQQUEKLSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC(C)C ZINC001323773303 1387447774 /nfs/dbraw/zinc/44/77/74/1387447774.db2.gz GLXDTZJKONIBLT-ZCNNSNEGSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323871235 1387483387 /nfs/dbraw/zinc/48/33/87/1387483387.db2.gz CFXWSNIXAUXHRZ-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001324100399 1387542657 /nfs/dbraw/zinc/54/26/57/1387542657.db2.gz XGQQSPAPPLIMAE-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001324181088 1387551602 /nfs/dbraw/zinc/55/16/02/1387551602.db2.gz NTABVXWRQSNAID-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)CC[N@@H+]1C ZINC001324466894 1387632890 /nfs/dbraw/zinc/63/28/90/1387632890.db2.gz GIXQYHCAXFICAL-KBAYOESNSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1)[NH+](C)C ZINC001324511110 1387657312 /nfs/dbraw/zinc/65/73/12/1387657312.db2.gz YAJQHAXCWCSNKK-ROUUACIJSA-N 2 0 339.568 3.273 10 0 EGAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001324797712 1387775842 /nfs/dbraw/zinc/77/58/42/1387775842.db2.gz KJPDXLLYVQWCMH-UYAOXDASSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001325778094 1388045120 /nfs/dbraw/zinc/04/51/20/1388045120.db2.gz AVFHIJZWZFACRS-BGYRXZFFSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCC1 ZINC001325919637 1388083490 /nfs/dbraw/zinc/08/34/90/1388083490.db2.gz UWACHNZWTSAXNM-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001326566086 1388241524 /nfs/dbraw/zinc/24/15/24/1388241524.db2.gz FGMFIZRQZFMDKJ-VJANTYMQSA-N 2 0 337.552 3.170 10 0 EGAERP CC1CCC(C[NH2+]C[C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001326735973 1388294866 /nfs/dbraw/zinc/29/48/66/1388294866.db2.gz BCRBERFRJUCPLR-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001326835264 1388325779 /nfs/dbraw/zinc/32/57/79/1388325779.db2.gz UIYUKTVFOAIDPE-ZRHASKPBSA-N 2 0 347.547 3.378 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327129051 1388392849 /nfs/dbraw/zinc/39/28/49/1388392849.db2.gz FLLZXNUJZJTHQT-IPLHWJFFSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1=CCCCC1)C1CC1 ZINC001266174803 1377216900 /nfs/dbraw/zinc/21/69/00/1377216900.db2.gz VDMNUFARLMLGPM-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1=CCCCC1)C1CC1 ZINC001266174802 1377216913 /nfs/dbraw/zinc/21/69/13/1377216913.db2.gz VDMNUFARLMLGPM-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266216650 1377231609 /nfs/dbraw/zinc/23/16/09/1377231609.db2.gz TVAKXBXYSFPSBH-OALUTQOASA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001266489744 1377320205 /nfs/dbraw/zinc/32/02/05/1377320205.db2.gz PVNBDGFTACMWIL-SNHAVAMSSA-N 2 0 345.531 3.036 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001266489428 1377320256 /nfs/dbraw/zinc/32/02/56/1377320256.db2.gz DVRGQXZTXRSSIH-GBESFXJTSA-N 2 0 335.536 3.116 10 0 EGAERP C[C@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001267133647 1377416388 /nfs/dbraw/zinc/41/63/88/1377416388.db2.gz KNRDHHQJFBYODF-QGZVFWFLSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001267207280 1377430322 /nfs/dbraw/zinc/43/03/22/1377430322.db2.gz CCPLOUURPYJCHI-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001269787316 1377571719 /nfs/dbraw/zinc/57/17/19/1377571719.db2.gz ZJEFZTDKVGHQIL-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001269799272 1377573472 /nfs/dbraw/zinc/57/34/72/1377573472.db2.gz UCBWYFLZQAJCDQ-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001270966606 1377620012 /nfs/dbraw/zinc/62/00/12/1377620012.db2.gz DOOBVJCGLFRTDL-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001271051003 1377622957 /nfs/dbraw/zinc/62/29/57/1377622957.db2.gz DHQZPAJJGHDSNO-KRWDZBQOSA-N 2 0 347.547 3.277 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001272465725 1378074251 /nfs/dbraw/zinc/07/42/51/1378074251.db2.gz JHWXLARCTPKGOJ-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001272881305 1378082091 /nfs/dbraw/zinc/08/20/91/1378082091.db2.gz DTWNMLYXBPCOFO-HKUYNNGSSA-N 2 0 349.563 3.172 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001327488282 1388533147 /nfs/dbraw/zinc/53/31/47/1388533147.db2.gz FNWFHFQFTJEMIC-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001277901601 1378250147 /nfs/dbraw/zinc/25/01/47/1378250147.db2.gz YREPRJZHUXGUDZ-ADYSOMBNSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1cc(C[NH+](C)C)ccc1NC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001142014578 1378405076 /nfs/dbraw/zinc/40/50/76/1378405076.db2.gz NEJVQOPZZULARD-UHFFFAOYSA-N 2 0 339.483 3.413 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C2CCC([NH2+]CC=C(C)C)CC2)C1 ZINC001282269318 1378493715 /nfs/dbraw/zinc/49/37/15/1378493715.db2.gz CTHBLLQHJJMTEV-HDYDNRTBSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001142869572 1378499094 /nfs/dbraw/zinc/49/90/94/1378499094.db2.gz JCULXLCUPCZPLV-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001282833818 1378634830 /nfs/dbraw/zinc/63/48/30/1378634830.db2.gz NVTTVGPYKLYPNA-HKUYNNGSSA-N 2 0 345.531 3.223 10 0 EGAERP CCCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001283051799 1378717977 /nfs/dbraw/zinc/71/79/77/1378717977.db2.gz DTQJESOYAIBBFW-CADBVGFASA-N 2 0 335.536 3.068 10 0 EGAERP CCCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001283051802 1378718056 /nfs/dbraw/zinc/71/80/56/1378718056.db2.gz DTQJESOYAIBBFW-VJANTYMQSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001283186348 1378755600 /nfs/dbraw/zinc/75/56/00/1378755600.db2.gz OAOWAVXQDXCQGE-HOTGVXAUSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001283186985 1378756490 /nfs/dbraw/zinc/75/64/90/1378756490.db2.gz RLCXEJFELJRVOI-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001283332005 1378814884 /nfs/dbraw/zinc/81/48/84/1378814884.db2.gz MIOIZFFUDQWWBI-HJWRWDBZSA-N 2 0 337.552 3.243 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001283351572 1378836910 /nfs/dbraw/zinc/83/69/10/1378836910.db2.gz XSZUHEBUJZYZTD-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001283677960 1379105421 /nfs/dbraw/zinc/10/54/21/1379105421.db2.gz KUZYVZGMOCEAPZ-APWZRJJASA-N 2 0 333.520 3.087 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001149140443 1379333096 /nfs/dbraw/zinc/33/30/96/1379333096.db2.gz VWTSWEKHZDJTEK-RLLQIKCJSA-N 2 0 345.531 3.134 10 0 EGAERP CCCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001284014995 1379363906 /nfs/dbraw/zinc/36/39/06/1379363906.db2.gz DDLFAZVCKVZYJX-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001284056588 1379407296 /nfs/dbraw/zinc/40/72/96/1379407296.db2.gz HNTDEUXEJLKMGL-PZJWPPBQSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001327862166 1388608204 /nfs/dbraw/zinc/60/82/04/1388608204.db2.gz QZSARXQGOABBTP-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCCCC1)CC2 ZINC001284067270 1379424353 /nfs/dbraw/zinc/42/43/53/1379424353.db2.gz ATVWRUJJZNTMMM-TZIWHRDSSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@H]3CC[NH+]3C3CCCCCC3)C[N@@H+]2C1 ZINC001152053386 1379853173 /nfs/dbraw/zinc/85/31/73/1379853173.db2.gz RHFNQRJOVUYZKJ-IZBJGVDFSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1=CCCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001284553280 1379960814 /nfs/dbraw/zinc/96/08/14/1379960814.db2.gz HNCIBKWPCDKYKY-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001284553649 1379961417 /nfs/dbraw/zinc/96/14/17/1379961417.db2.gz RWKJODHPPHYGFO-OALUTQOASA-N 2 0 339.568 3.322 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001284644145 1380051555 /nfs/dbraw/zinc/05/15/55/1380051555.db2.gz ZGVUEHBBJCDEQS-DAWZGUTISA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)C(C)(C)C ZINC001284652084 1380066183 /nfs/dbraw/zinc/06/61/83/1380066183.db2.gz FUPZRLDPXKMZMB-LJQANCHMSA-N 2 0 345.531 3.449 10 0 EGAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284723071 1380143417 /nfs/dbraw/zinc/14/34/17/1380143417.db2.gz ICXKNWPMVBQTLB-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH+]1CCC(C2(NC(=O)[C@H](CC)[NH+](C)C)CC2)CC1 ZINC001284846517 1380269369 /nfs/dbraw/zinc/26/93/69/1380269369.db2.gz PRGSKSKWFJPNHG-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001328401915 1388738161 /nfs/dbraw/zinc/73/81/61/1388738161.db2.gz CJHSRWUAQLHXML-FHWLQOOXSA-N 2 0 345.531 3.018 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001328586337 1388782009 /nfs/dbraw/zinc/78/20/09/1388782009.db2.gz AKKSFIKRALJJDO-GOSISDBHSA-N 2 0 337.552 3.079 10 0 EGAERP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001164426177 1383185496 /nfs/dbraw/zinc/18/54/96/1383185496.db2.gz YXWVVJLJBWVEAD-RTBURBONSA-N 2 0 336.439 3.203 10 0 EGAERP CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001328812600 1388879408 /nfs/dbraw/zinc/87/94/08/1388879408.db2.gz PDRCNQZAEZQHNE-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@H+](CCCC[NH+]1CCCCC1)CCCOc1ccc2c(c1)OCO2 ZINC001308038478 1384078833 /nfs/dbraw/zinc/07/88/33/1384078833.db2.gz LIHKABHLDNSHKA-UHFFFAOYSA-N 2 0 348.487 3.382 10 0 EGAERP C[N@H+](CCCC[NH+]1CCCCC1)CCCNC(=O)OC(C)(C)C ZINC001308040834 1384080124 /nfs/dbraw/zinc/08/01/24/1384080124.db2.gz XDQVUWVQRUWZGX-UHFFFAOYSA-N 2 0 327.513 3.099 10 0 EGAERP Cc1ncsc1CCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)C[C@@H]2C1 ZINC001169899606 1384196164 /nfs/dbraw/zinc/19/61/64/1384196164.db2.gz JLJBIAYNMZJMGB-KDURUIRLSA-N 2 0 341.524 3.448 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001316623247 1384488646 /nfs/dbraw/zinc/48/86/46/1384488646.db2.gz GURGEBKZWYCBDY-HDICACEKSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)(C)OC(=O)N[C@@H]1CCCC[C@H]1[NH2+]CCC[NH+]1CCCCC1 ZINC001171382295 1384507049 /nfs/dbraw/zinc/50/70/49/1384507049.db2.gz YWDFZLKLUFVIPE-IAGOWNOFSA-N 2 0 339.524 3.288 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316671326 1384514198 /nfs/dbraw/zinc/51/41/98/1384514198.db2.gz RKACSARVHOMRAF-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001316703471 1384530824 /nfs/dbraw/zinc/53/08/24/1384530824.db2.gz CYGVZTUKJWAPNZ-GGPKGHCWSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCC1CCCCC1 ZINC001316797862 1384588236 /nfs/dbraw/zinc/58/82/36/1384588236.db2.gz RSNIJCIMLJABRL-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C2CC2)c1 ZINC001316914286 1384685296 /nfs/dbraw/zinc/68/52/96/1384685296.db2.gz LQGRQTGUUWDGOR-FXAWDEMLSA-N 2 0 343.515 3.121 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1CC(C)C1)C1CC1 ZINC001316924759 1384695990 /nfs/dbraw/zinc/69/59/90/1384695990.db2.gz CUGXULIOJCOPAO-QLOJAFMTSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996005 1384753239 /nfs/dbraw/zinc/75/32/39/1384753239.db2.gz UGDLFPQNNAVSFV-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317059761 1384832484 /nfs/dbraw/zinc/83/24/84/1384832484.db2.gz YTCJSMGHTPZDRC-FNYRVFDFSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC001317100206 1384863018 /nfs/dbraw/zinc/86/30/18/1384863018.db2.gz OGAPXINJNXXXNX-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3=CCCCC3)CC[C@@H]21 ZINC001317100899 1384864388 /nfs/dbraw/zinc/86/43/88/1384864388.db2.gz ZAIGIWJDBBQRKA-UXHICEINSA-N 2 0 347.547 3.140 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317124450 1384882402 /nfs/dbraw/zinc/88/24/02/1384882402.db2.gz MPRFXASJVBKUAM-QRVBRYPASA-N 2 0 345.531 3.333 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001317137928 1384902393 /nfs/dbraw/zinc/90/23/93/1384902393.db2.gz KYUCQSDNIOAILF-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001317138855 1384904254 /nfs/dbraw/zinc/90/42/54/1384904254.db2.gz WHODIHCRZWTJLI-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001317162855 1384925713 /nfs/dbraw/zinc/92/57/13/1384925713.db2.gz XSAKDJATECONBK-QUCCMNQESA-N 2 0 345.531 3.164 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317190937 1384965487 /nfs/dbraw/zinc/96/54/87/1384965487.db2.gz SPVUNVHKTJRHJL-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317267172 1385036926 /nfs/dbraw/zinc/03/69/26/1385036926.db2.gz VYROIOLWFVQZGB-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001317271057 1385041611 /nfs/dbraw/zinc/04/16/11/1385041611.db2.gz KMJBHJHNTXWIOC-IXAFFOJKSA-N 2 0 343.515 3.059 10 0 EGAERP Cc1cccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317356999 1385102551 /nfs/dbraw/zinc/10/25/51/1385102551.db2.gz HAYOKWCAXCENGL-VQTJNVASSA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001317360779 1385104045 /nfs/dbraw/zinc/10/40/45/1385104045.db2.gz ZHQPVVPWWBTFCG-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC(C)C1 ZINC001317397011 1385113474 /nfs/dbraw/zinc/11/34/74/1385113474.db2.gz FFONSDKAAXCLES-CGZBRXJRSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317397878 1385114048 /nfs/dbraw/zinc/11/40/48/1385114048.db2.gz YIURVGFSEBZCQW-QZTJIDSGSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@H](CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCC(C)(C)C ZINC001317407035 1385119178 /nfs/dbraw/zinc/11/91/78/1385119178.db2.gz VFDVUKUPQCAWLW-BEFAXECRSA-N 2 0 343.531 3.120 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1=CCCCC1 ZINC001317489530 1385188511 /nfs/dbraw/zinc/18/85/11/1385188511.db2.gz JSNOGRPARDTDSX-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cc(C)ccc1C ZINC001317492589 1385193567 /nfs/dbraw/zinc/19/35/67/1385193567.db2.gz OXSWMQVSEBEUTQ-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317530720 1385255396 /nfs/dbraw/zinc/25/53/96/1385255396.db2.gz ZAKGICFCFBWOEE-BGEOSOQGSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001317558956 1385334784 /nfs/dbraw/zinc/33/47/84/1385334784.db2.gz NMQPNEUAIDWHAC-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@H](C)[NH2+]CCC3CC3)CC2)C1 ZINC001317678745 1385387033 /nfs/dbraw/zinc/38/70/33/1385387033.db2.gz ULYUWCVAOQZDKB-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317682280 1385391996 /nfs/dbraw/zinc/39/19/96/1385391996.db2.gz ADMMVEDFVYAZMU-CZXSNVBGSA-N 2 0 337.552 3.146 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317781256 1385473807 /nfs/dbraw/zinc/47/38/07/1385473807.db2.gz BGXRLHKEUPNDLE-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001317810800 1385508534 /nfs/dbraw/zinc/50/85/34/1385508534.db2.gz FRUJTSQSBNDVJT-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001318374221 1385659659 /nfs/dbraw/zinc/65/96/59/1385659659.db2.gz NCVKACDHQMAISL-YLJYHZDGSA-N 2 0 345.531 3.402 10 0 EGAERP CCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001318485074 1385718408 /nfs/dbraw/zinc/71/84/08/1385718408.db2.gz ODHNFSHNAXGRGF-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698616552 1406250078 /nfs/dbraw/zinc/25/00/78/1406250078.db2.gz DETAOLMBMFGRAP-ZWKOTPCHSA-N 2 0 339.568 3.418 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001318652960 1385816361 /nfs/dbraw/zinc/81/63/61/1385816361.db2.gz MMMPHVGKZAQLPI-LJQANCHMSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)(C)CCC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCC1 ZINC001318666351 1385827429 /nfs/dbraw/zinc/82/74/29/1385827429.db2.gz OAMXJRNZHWPLGY-FQEVSTJZSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001318792235 1385855154 /nfs/dbraw/zinc/85/51/54/1385855154.db2.gz CMLWMRLVUARLCJ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001318859890 1385863885 /nfs/dbraw/zinc/86/38/85/1385863885.db2.gz KVBWRGLDKIULLD-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)c1ccc2c(c1)CCC2 ZINC001698621582 1406259459 /nfs/dbraw/zinc/25/94/59/1406259459.db2.gz WSZMXARQXMCHLT-UZLBHIALSA-N 2 0 345.531 3.061 10 0 EGAERP CCC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001318887892 1385871949 /nfs/dbraw/zinc/87/19/49/1385871949.db2.gz YNFTVQBHSIYIOZ-CWHLKURSSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001319069729 1385951612 /nfs/dbraw/zinc/95/16/12/1385951612.db2.gz JLAZMTIVMOAHDH-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](CC3=CCCCC3)C2)CC1 ZINC001319149349 1385980831 /nfs/dbraw/zinc/98/08/31/1385980831.db2.gz IXONNNLHLVWKHW-UHFFFAOYSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001319377970 1386091167 /nfs/dbraw/zinc/09/11/67/1386091167.db2.gz RRYHDMRYVOYGAG-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319609370 1386208024 /nfs/dbraw/zinc/20/80/24/1386208024.db2.gz LLVQNSNHDRDXMB-MSOLQXFVSA-N 2 0 339.568 3.416 10 0 EGAERP Cc1ccc(C[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCC2)c(C)c1 ZINC001698636970 1406283123 /nfs/dbraw/zinc/28/31/23/1406283123.db2.gz ZXFRTJYRTHBRND-UHFFFAOYSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001319849314 1386333486 /nfs/dbraw/zinc/33/34/86/1386333486.db2.gz OCFBWYUKLVFOCV-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915852 1386388089 /nfs/dbraw/zinc/38/80/89/1386388089.db2.gz CAOIPUBZFTUNJX-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001319922723 1386393985 /nfs/dbraw/zinc/39/39/85/1386393985.db2.gz RBWYFIJBMLDDSQ-KRWDZBQOSA-N 2 0 325.541 3.026 10 0 EGAERP CC[C@@H]([NH2+]C[C@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001698651079 1406300598 /nfs/dbraw/zinc/30/05/98/1406300598.db2.gz BOMJPTJHWNDHOC-CTNGQTDRSA-N 2 0 343.515 3.108 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001320168564 1386545007 /nfs/dbraw/zinc/54/50/07/1386545007.db2.gz DOBHENVASZOPST-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416817 1386604258 /nfs/dbraw/zinc/60/42/58/1386604258.db2.gz WMBYHFILKQKTQP-IRXDYDNUSA-N 2 0 325.541 3.170 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320464639 1386617000 /nfs/dbraw/zinc/61/70/00/1386617000.db2.gz QMQKXMRNWPERRF-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001320561469 1386650350 /nfs/dbraw/zinc/65/03/50/1386650350.db2.gz GWVQJYZZMMVXJZ-ZWKOTPCHSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)CC1 ZINC001320597611 1386661301 /nfs/dbraw/zinc/66/13/01/1386661301.db2.gz OYYUBHSVEKTZFE-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001320639257 1386675089 /nfs/dbraw/zinc/67/50/89/1386675089.db2.gz HTIJEHORBISKRK-MSOLQXFVSA-N 2 0 345.531 3.451 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001320928676 1386760767 /nfs/dbraw/zinc/76/07/67/1386760767.db2.gz LQDHVMWITOXOTC-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC1CCCCCC1)[NH+]1CCCCC1 ZINC001321066256 1386798277 /nfs/dbraw/zinc/79/82/77/1386798277.db2.gz ZLXZRLLUYUUTER-CMDGGOBGSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1 ZINC001321134357 1386818786 /nfs/dbraw/zinc/81/87/86/1386818786.db2.gz CJDCFRCTIISWTI-QWCIBIBSSA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001698675133 1406323967 /nfs/dbraw/zinc/32/39/67/1406323967.db2.gz XWMLJSKUZPRHRO-HKUYNNGSSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001321609461 1386940549 /nfs/dbraw/zinc/94/05/49/1386940549.db2.gz MYHHZSCUAQJNPC-QGZVFWFLSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001321756587 1386976988 /nfs/dbraw/zinc/97/69/88/1386976988.db2.gz OEGUGAZNXAXPOU-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc(C(C)C)cc1)[NH+](C)C ZINC001321896923 1387005765 /nfs/dbraw/zinc/00/57/65/1387005765.db2.gz KXFXHIUJXAGVGU-FRQCXROJSA-N 2 0 333.520 3.306 10 0 EGAERP C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322003994 1387028913 /nfs/dbraw/zinc/02/89/13/1387028913.db2.gz JLMGFJQTRWROKL-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698694298 1406338414 /nfs/dbraw/zinc/33/84/14/1406338414.db2.gz ODKHPCAUGAVFDD-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CC(C)C2)CC1 ZINC001698693558 1406337923 /nfs/dbraw/zinc/33/79/23/1406337923.db2.gz CQZJSLNEBYLXLX-UUKMXZOPSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001698693352 1406338100 /nfs/dbraw/zinc/33/81/00/1406338100.db2.gz CBVHONOQZIXVQJ-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)Cc2ccccc2C)C1 ZINC001322231597 1387112555 /nfs/dbraw/zinc/11/25/55/1387112555.db2.gz SZSFWIGAJPIMPK-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC(CC[NH2+]CCC2CCCCC2)CC1 ZINC001698703924 1406345350 /nfs/dbraw/zinc/34/53/50/1406345350.db2.gz ZJOYMZUOHIFBEU-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001322567934 1387206640 /nfs/dbraw/zinc/20/66/40/1387206640.db2.gz ANQHYJYFQMGVPG-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001322843526 1387244991 /nfs/dbraw/zinc/24/49/91/1387244991.db2.gz CHXXMAKZLLLHAB-HDICACEKSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001329459299 1389117353 /nfs/dbraw/zinc/11/73/53/1389117353.db2.gz ICVHGWFJVZMXPH-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCCCC1 ZINC001329471205 1389120549 /nfs/dbraw/zinc/12/05/49/1389120549.db2.gz KJFJEQIGTSTZOD-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001329474123 1389121660 /nfs/dbraw/zinc/12/16/60/1389121660.db2.gz HFWPHPTZUDDQHW-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@H]2[NH3+])C1 ZINC001329564253 1389158703 /nfs/dbraw/zinc/15/87/03/1389158703.db2.gz KVCBYFVFQGIRMP-LSTHTHJFSA-N 2 0 343.515 3.052 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001329622320 1389188120 /nfs/dbraw/zinc/18/81/20/1389188120.db2.gz CVILFRAZHCLDOK-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC[C@H](C)F)CCCCC1 ZINC001329819499 1389230980 /nfs/dbraw/zinc/23/09/80/1389230980.db2.gz YOPYWRUNJBHPFU-IRXDYDNUSA-N 2 0 341.515 3.016 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@H]1CCCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001329939388 1389267894 /nfs/dbraw/zinc/26/78/94/1389267894.db2.gz SVOPOUAEIKOSFN-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)CC1(C)C)CC(C)(C)C ZINC001330230740 1389351911 /nfs/dbraw/zinc/35/19/11/1389351911.db2.gz ROQVARJJPLDAPD-GOSISDBHSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001330501875 1389435228 /nfs/dbraw/zinc/43/52/28/1389435228.db2.gz KJVRZPOMHYSUJB-CSHXORCISA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2C[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001330681936 1389495815 /nfs/dbraw/zinc/49/58/15/1389495815.db2.gz KPMFSXKFFSJWDO-KESTWPANSA-N 2 0 349.563 3.172 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001330685718 1389496606 /nfs/dbraw/zinc/49/66/06/1389496606.db2.gz BDYXFCULWCSBEO-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001330697249 1389501830 /nfs/dbraw/zinc/50/18/30/1389501830.db2.gz IMONOBJNLBDVLO-ICSRJNTNSA-N 2 0 345.531 3.122 10 0 EGAERP CCC[NH2+]CCCN(Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001331080540 1389623689 /nfs/dbraw/zinc/62/36/89/1389623689.db2.gz JGXQUNSZLITBLK-UHFFFAOYSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001331176352 1389643504 /nfs/dbraw/zinc/64/35/04/1389643504.db2.gz JXUIUUIHKNJTPZ-FQEVSTJZSA-N 2 0 345.531 3.354 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC001331471258 1389762040 /nfs/dbraw/zinc/76/20/40/1389762040.db2.gz ZDUPIUXNXDJOIH-UHFFFAOYSA-N 2 0 341.484 3.379 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)cc1 ZINC001331820255 1389879915 /nfs/dbraw/zinc/87/99/15/1389879915.db2.gz GSFJKRUYPRKODQ-GKCIPKSASA-N 2 0 342.462 3.084 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001332050518 1389958595 /nfs/dbraw/zinc/95/85/95/1389958595.db2.gz PUXNYUOIXNUJLT-RBUKOAKNSA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001332116021 1389993331 /nfs/dbraw/zinc/99/33/31/1389993331.db2.gz GQAZKDFLRCJNMM-PZJWPPBQSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+][C@H](C)c1ccc(F)cc1 ZINC001698759955 1406413788 /nfs/dbraw/zinc/41/37/88/1406413788.db2.gz FVWXTVOREDVXMH-JKSUJKDBSA-N 2 0 349.494 3.103 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001332215389 1390047043 /nfs/dbraw/zinc/04/70/43/1390047043.db2.gz ARPVHZIXMNSAHP-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001332219107 1390049645 /nfs/dbraw/zinc/04/96/45/1390049645.db2.gz MRWWUCHKNUVOLQ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001332322211 1390086316 /nfs/dbraw/zinc/08/63/16/1390086316.db2.gz LKUHSHVDIAUGQS-WYTZPYIFSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342340 1390091670 /nfs/dbraw/zinc/09/16/70/1390091670.db2.gz UCRLYLQVZMKKSX-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001332428435 1390114634 /nfs/dbraw/zinc/11/46/34/1390114634.db2.gz OZYZNUKZFJYARX-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001332707510 1390161157 /nfs/dbraw/zinc/16/11/57/1390161157.db2.gz MTFREZUQWNGXDN-CTWPCTMYSA-N 2 0 337.552 3.074 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001332808765 1390192144 /nfs/dbraw/zinc/19/21/44/1390192144.db2.gz NVGPETICGAHSBB-KBAYOESNSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c(C)c1 ZINC001332898585 1390212506 /nfs/dbraw/zinc/21/25/06/1390212506.db2.gz KALFWWMRPQUMCP-LJQANCHMSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001332949777 1390222473 /nfs/dbraw/zinc/22/24/73/1390222473.db2.gz LWJZYGCLZOOTCC-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001332960060 1390224576 /nfs/dbraw/zinc/22/45/76/1390224576.db2.gz LEMMDVDTJFGPCB-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001332960777 1390225134 /nfs/dbraw/zinc/22/51/34/1390225134.db2.gz OLMUQOFQLDVYRA-HPFMTEOYSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)[C@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001333180302 1390262397 /nfs/dbraw/zinc/26/23/97/1390262397.db2.gz FEHQMKIWNMXZHU-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP FC1(F)[C@@H]2C[C@@H]([NH2+]Cc3ccc(OCC[NH+]4CCCC4)cc3)C[C@@H]21 ZINC001347355434 1391059665 /nfs/dbraw/zinc/05/96/65/1391059665.db2.gz DYHPPJISXCQFRX-XGWQRUHWSA-N 2 0 336.426 3.295 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001488747771 1391715553 /nfs/dbraw/zinc/71/55/53/1391715553.db2.gz ZERJYIKFHQGPHF-FCGDIQPGSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001479328088 1392215823 /nfs/dbraw/zinc/21/58/23/1392215823.db2.gz LIEABWRZTWTKMM-DRDDEIGGSA-N 2 0 335.536 3.090 10 0 EGAERP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001479328055 1392215852 /nfs/dbraw/zinc/21/58/52/1392215852.db2.gz KWGZOCANOHOZEC-RLLQIKCJSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001479476733 1392252152 /nfs/dbraw/zinc/25/21/52/1392252152.db2.gz WUOWGMZMJCRXQV-YZGWKJHDSA-N 2 0 347.547 3.093 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCC[N@@H+]1C ZINC001479557133 1392275098 /nfs/dbraw/zinc/27/50/98/1392275098.db2.gz IXBXYVIYZSSMPE-CNGCZUSVSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1CCC1)[NH+](CC)CC ZINC001479572143 1392278624 /nfs/dbraw/zinc/27/86/24/1392278624.db2.gz JDZLFZPGQBFRQV-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2F)[C@@H]1CC ZINC001479644751 1392304382 /nfs/dbraw/zinc/30/43/82/1392304382.db2.gz BCNQKNIBUUSBEL-RBUKOAKNSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001479688638 1392320253 /nfs/dbraw/zinc/32/02/53/1392320253.db2.gz TVDFLRSDHHPRBV-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC001479695047 1392326262 /nfs/dbraw/zinc/32/62/62/1392326262.db2.gz UJGVSVCBCQIFEJ-WOJBJXKFSA-N 2 0 345.531 3.449 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC(C)(C)C1 ZINC001479748285 1392366857 /nfs/dbraw/zinc/36/68/57/1392366857.db2.gz RMAIXIDEGUHPSJ-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1CCC(C)(C)CC1)[NH+](C)C ZINC001479794496 1392393361 /nfs/dbraw/zinc/39/33/61/1392393361.db2.gz LSXBULXKUJNLAX-GOSISDBHSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828886 1392415977 /nfs/dbraw/zinc/41/59/77/1392415977.db2.gz GLLFSFYKMJBDEC-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829688 1392416609 /nfs/dbraw/zinc/41/66/09/1392416609.db2.gz CPQIZUVCHIYRRP-HKUYNNGSSA-N 2 0 349.563 3.266 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CC(C)(C)C1 ZINC001479847207 1392428541 /nfs/dbraw/zinc/42/85/41/1392428541.db2.gz YBNWRJXUWUTFAW-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479896573 1392465416 /nfs/dbraw/zinc/46/54/16/1392465416.db2.gz YABQMKHVHCUUGE-YJJPMGAVSA-N 2 0 349.563 3.386 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479953120 1392490273 /nfs/dbraw/zinc/49/02/73/1392490273.db2.gz BQYUCXSHGLITGF-IPLHWJFFSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2)[NH+](CC)CC ZINC001479984623 1392517282 /nfs/dbraw/zinc/51/72/82/1392517282.db2.gz FPCAKFWMYQIDMX-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001480208260 1392623120 /nfs/dbraw/zinc/62/31/20/1392623120.db2.gz BCMDZCQZZLUJIP-ZCNNSNEGSA-N 2 0 349.563 3.458 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480219707 1392625625 /nfs/dbraw/zinc/62/56/25/1392625625.db2.gz IONYKLUIODNOED-WSTZPKSXSA-N 2 0 349.563 3.457 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001480407954 1392744859 /nfs/dbraw/zinc/74/48/59/1392744859.db2.gz KFKLFVWNJVUKAJ-AOCRQIFASA-N 2 0 331.504 3.025 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001480411703 1392747163 /nfs/dbraw/zinc/74/71/63/1392747163.db2.gz SGZPKPQVVJYSBA-UHFFFAOYSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@H]([NH2+][C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001480515600 1392775952 /nfs/dbraw/zinc/77/59/52/1392775952.db2.gz HYEIKILPWDNBRE-QAPCUYQASA-N 2 0 349.494 3.246 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480703322 1392866686 /nfs/dbraw/zinc/86/66/86/1392866686.db2.gz QUOJDASQVSHJFR-MSOLQXFVSA-N 2 0 337.552 3.458 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734932 1392900206 /nfs/dbraw/zinc/90/02/06/1392900206.db2.gz PHEFWBMISMNKGK-RBUKOAKNSA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC2CC2)CC1 ZINC001480831959 1392972190 /nfs/dbraw/zinc/97/21/90/1392972190.db2.gz OSDKJDDKFBVHKZ-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001481096958 1393119057 /nfs/dbraw/zinc/11/90/57/1393119057.db2.gz ZRWAQFCMNSJTFI-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](CC2=CCCCC2)C2CC2)C1 ZINC001481194390 1393147647 /nfs/dbraw/zinc/14/76/47/1393147647.db2.gz HFVQIMUDFJBBCP-ICSRJNTNSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001698882627 1406613574 /nfs/dbraw/zinc/61/35/74/1406613574.db2.gz GCDMCWXBXVTQPY-RTBURBONSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001698883434 1406615221 /nfs/dbraw/zinc/61/52/21/1406615221.db2.gz XLSXRSUPDZTZMS-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698914145 1406647870 /nfs/dbraw/zinc/64/78/70/1406647870.db2.gz KCSBLGSOOCTFNI-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001698920626 1406656006 /nfs/dbraw/zinc/65/60/06/1406656006.db2.gz NGXZEPYTUFEGJQ-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001490420234 1394221175 /nfs/dbraw/zinc/22/11/75/1394221175.db2.gz SBAOTGNNKLUUBW-UNQUKWGNSA-N 2 0 347.547 3.282 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481451037 1394306343 /nfs/dbraw/zinc/30/63/43/1394306343.db2.gz PBTALKOXXUETSR-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001490763195 1394324513 /nfs/dbraw/zinc/32/45/13/1394324513.db2.gz NCWCPOLZEJICKP-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490773038 1394334084 /nfs/dbraw/zinc/33/40/84/1394334084.db2.gz WOQLWEAGJGOVGK-DLBZAZTESA-N 2 0 349.494 3.009 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001481498577 1394344235 /nfs/dbraw/zinc/34/42/35/1394344235.db2.gz QKKKGOCFHWGMCT-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481506652 1394352421 /nfs/dbraw/zinc/35/24/21/1394352421.db2.gz IUAGNIWNUOZQPO-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001481516247 1394364533 /nfs/dbraw/zinc/36/45/33/1394364533.db2.gz RVOHFLVBYJSFKR-VQTJNVASSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001481525733 1394377401 /nfs/dbraw/zinc/37/74/01/1394377401.db2.gz HHYCAMYHNXQMRN-RTBURBONSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481527834 1394381269 /nfs/dbraw/zinc/38/12/69/1394381269.db2.gz NBGZUJGUDJCCIU-KJYWSYJISA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491048237 1394411354 /nfs/dbraw/zinc/41/13/54/1394411354.db2.gz RMXNNHWUKPQXBW-ADYAAAIWSA-N 2 0 347.547 3.377 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481727806 1394478190 /nfs/dbraw/zinc/47/81/90/1394478190.db2.gz SVBWMUNBINWTAJ-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001491231411 1394486308 /nfs/dbraw/zinc/48/63/08/1394486308.db2.gz ZLYNBDQVWDYMLZ-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740936 1394487157 /nfs/dbraw/zinc/48/71/57/1394487157.db2.gz GMVKTAWYCPJUBQ-PMACEKPBSA-N 2 0 345.531 3.148 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001481746463 1394491726 /nfs/dbraw/zinc/49/17/26/1394491726.db2.gz FLGAISLVEGFUHS-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CCC1CCCCC1 ZINC001481880500 1394574465 /nfs/dbraw/zinc/57/44/65/1394574465.db2.gz FXJPASGNFJVNOO-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001481899955 1394586172 /nfs/dbraw/zinc/58/61/72/1394586172.db2.gz KCVKEUAQBLMVDR-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@@H]1C ZINC001481959137 1394619958 /nfs/dbraw/zinc/61/99/58/1394619958.db2.gz UYMXUGKOQFKJRF-PXNSSMCTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001482238099 1394834233 /nfs/dbraw/zinc/83/42/33/1394834233.db2.gz GNTLULUYGAFWAY-LJQANCHMSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001482284284 1394865102 /nfs/dbraw/zinc/86/51/02/1394865102.db2.gz MJOZCABDVCBMKN-SJORKVTESA-N 2 0 325.541 3.122 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482386083 1394947466 /nfs/dbraw/zinc/94/74/66/1394947466.db2.gz DMHQTBCIKPEUSG-DOTOQJQBSA-N 2 0 344.503 3.423 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001482405721 1394968825 /nfs/dbraw/zinc/96/88/25/1394968825.db2.gz HNRCITHESWVLSN-RTBURBONSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001482438796 1394999143 /nfs/dbraw/zinc/99/91/43/1394999143.db2.gz ZFGKGVACODPDFI-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1CCCC1 ZINC001698969584 1406732064 /nfs/dbraw/zinc/73/20/64/1406732064.db2.gz AGWBYEKSEJADRG-SFHVURJKSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001482459043 1395017283 /nfs/dbraw/zinc/01/72/83/1395017283.db2.gz SBHZTSOYRDCXFQ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)c(C)c1 ZINC001482547904 1395083455 /nfs/dbraw/zinc/08/34/55/1395083455.db2.gz OMQSTVVCENKCIV-PMACEKPBSA-N 2 0 345.531 3.018 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CC(C)C)C2)C1 ZINC001483847166 1395113646 /nfs/dbraw/zinc/11/36/46/1395113646.db2.gz GCVMJWNELMLWTR-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001483932557 1395150170 /nfs/dbraw/zinc/15/01/70/1395150170.db2.gz JZMIZEBRPUGXGE-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001483931759 1395150235 /nfs/dbraw/zinc/15/02/35/1395150235.db2.gz QYTXDNFXCPQRCG-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1)[NH+](CC)CC ZINC001483945426 1395156159 /nfs/dbraw/zinc/15/61/59/1395156159.db2.gz WWDHPIALOICUDO-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C)cc1)[NH+](CC)CC ZINC001483945428 1395156391 /nfs/dbraw/zinc/15/63/91/1395156391.db2.gz WWDHPIALOICUDO-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001483974179 1395170612 /nfs/dbraw/zinc/17/06/12/1395170612.db2.gz UQLJYJBJLLXHLC-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CC3=CCCCC3)C2)CCC1 ZINC001484161807 1395296099 /nfs/dbraw/zinc/29/60/99/1395296099.db2.gz ZJWSOSRMVIAPKK-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001484390451 1395360147 /nfs/dbraw/zinc/36/01/47/1395360147.db2.gz DHUKJXVFQQUOGG-YSTOQKLRSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001484559275 1395442853 /nfs/dbraw/zinc/44/28/53/1395442853.db2.gz PCBZCOSVAOSILO-OXQOHEQNSA-N 2 0 343.515 3.238 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CCC3CCCCC3)CC2)CC1 ZINC001484721876 1395484130 /nfs/dbraw/zinc/48/41/30/1395484130.db2.gz CNDGSUBIJYCNQJ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001484728502 1395491516 /nfs/dbraw/zinc/49/15/16/1395491516.db2.gz QCESXRDMOMRZFM-ZRHASKPBSA-N 2 0 335.536 3.189 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001484828392 1395565632 /nfs/dbraw/zinc/56/56/32/1395565632.db2.gz BIAAOQRQGFNSFQ-AZUAARDMSA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001485082417 1395651974 /nfs/dbraw/zinc/65/19/74/1395651974.db2.gz OLNOCEGMXRDUJZ-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001485570361 1396035469 /nfs/dbraw/zinc/03/54/69/1396035469.db2.gz BSHRUNRSKHPYQY-VDZMMWBESA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC001485586754 1396061755 /nfs/dbraw/zinc/06/17/55/1396061755.db2.gz QKHSRKSPYVOHMD-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C\Cl ZINC001485789871 1396154651 /nfs/dbraw/zinc/15/46/51/1396154651.db2.gz BHJJNKQPXGDFJR-LTRVUTJFSA-N 2 0 343.943 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001486090013 1396176770 /nfs/dbraw/zinc/17/67/70/1396176770.db2.gz FFYBQQRSBRSZOH-HMTUNPETSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC/C=C/c1ccccc1 ZINC001499955682 1396185273 /nfs/dbraw/zinc/18/52/73/1396185273.db2.gz WMQYTWGIXRZNJR-BESKYLIDSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001501390335 1396193232 /nfs/dbraw/zinc/19/32/32/1396193232.db2.gz IYEOGULPVIFARK-RAEMOODJSA-N 2 0 345.531 3.036 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502987183 1396237808 /nfs/dbraw/zinc/23/78/08/1396237808.db2.gz LPFNVIKEFNEKDP-AQIYZVDXSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)CCn1ccnc1 ZINC001492162808 1396310212 /nfs/dbraw/zinc/31/02/12/1396310212.db2.gz BARCWVDUZSWZRA-QGZVFWFLSA-N 2 0 334.508 3.070 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001496170043 1396618854 /nfs/dbraw/zinc/61/88/54/1396618854.db2.gz OOWWOBQLHVNTLW-QZTJIDSGSA-N 2 0 335.536 3.188 10 0 EGAERP CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001497486836 1396765546 /nfs/dbraw/zinc/76/55/46/1396765546.db2.gz USZKDYLNWCYJBI-HXUWFJFHSA-N 2 0 347.547 3.136 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699017253 1406850534 /nfs/dbraw/zinc/85/05/34/1406850534.db2.gz MQDRIAVLTCQFFE-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001498133824 1396924544 /nfs/dbraw/zinc/92/45/44/1396924544.db2.gz WISXUVOMSHSUIO-CVEARBPZSA-N 2 0 342.487 3.006 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)[C@H]1CC ZINC001689189849 1396965459 /nfs/dbraw/zinc/96/54/59/1396965459.db2.gz VTHHWVBESAUKTI-IPMKNSEASA-N 2 0 337.552 3.409 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001689238919 1396986804 /nfs/dbraw/zinc/98/68/04/1396986804.db2.gz QVLCLVMZEKECME-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267339 1396998639 /nfs/dbraw/zinc/99/86/39/1396998639.db2.gz IJXKLDMKRCQSHD-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001689271493 1397005604 /nfs/dbraw/zinc/00/56/04/1397005604.db2.gz LAOJVYKLRDNCFI-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001689271408 1397005624 /nfs/dbraw/zinc/00/56/24/1397005624.db2.gz IXYVNPLZCTZRNQ-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001498483179 1397029001 /nfs/dbraw/zinc/02/90/01/1397029001.db2.gz AGXFKAVWNAZUTE-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498489078 1397033404 /nfs/dbraw/zinc/03/34/04/1397033404.db2.gz VRZMPKMYEMOABT-OALUTQOASA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699029167 1406866419 /nfs/dbraw/zinc/86/64/19/1406866419.db2.gz NNWWROKDHZHCCE-RBUKOAKNSA-N 2 0 349.563 3.339 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001689361009 1403696725 /nfs/dbraw/zinc/69/67/25/1403696725.db2.gz YUGLAZIIFRFLJZ-VDZMMWBESA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](C(=O)NCCC[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001689859132 1404172668 /nfs/dbraw/zinc/17/26/68/1404172668.db2.gz NBNNXIGNTMCZCW-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001690030641 1404269775 /nfs/dbraw/zinc/26/97/75/1404269775.db2.gz CUDTZUQJNKPWBA-SNAWJCMRSA-N 2 0 335.536 3.142 10 0 EGAERP C[C@H]([NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001690162904 1404361101 /nfs/dbraw/zinc/36/11/01/1404361101.db2.gz RELVSILRTHEDGL-LPHOPBHVSA-N 2 0 343.515 3.106 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168340 1404366844 /nfs/dbraw/zinc/36/68/44/1404366844.db2.gz COUCKZYQGDIRDI-LPHOPBHVSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001690199333 1404410028 /nfs/dbraw/zinc/41/00/28/1404410028.db2.gz PBTCWEJBJUCPSH-XOUUWWQPSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001690260014 1404434392 /nfs/dbraw/zinc/43/43/92/1404434392.db2.gz PJTBWTQUPFDORD-OXUXSNCKSA-N 2 0 335.536 3.044 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001690318037 1404475276 /nfs/dbraw/zinc/47/52/76/1404475276.db2.gz OAEAJEOAXQXHCP-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001690391034 1404529875 /nfs/dbraw/zinc/52/98/75/1404529875.db2.gz ZHFBOGKGEQVNJG-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001690414015 1404546510 /nfs/dbraw/zinc/54/65/10/1404546510.db2.gz PFWVNVIWSBCIFT-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001690423049 1404550622 /nfs/dbraw/zinc/55/06/22/1404550622.db2.gz GEXJXYQCNHPVOM-QGZVFWFLSA-N 2 0 339.568 3.229 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCCC[NH+]1CCC1=CCCCC1)C1CCC1 ZINC001690448150 1404572162 /nfs/dbraw/zinc/57/21/62/1404572162.db2.gz FKZBJVRVLNSWJY-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001690505367 1404617634 /nfs/dbraw/zinc/61/76/34/1404617634.db2.gz QXEGOVZWVYXCNK-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690505404 1404618592 /nfs/dbraw/zinc/61/85/92/1404618592.db2.gz SACNHAJFBVKTIR-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001690650715 1404682007 /nfs/dbraw/zinc/68/20/07/1404682007.db2.gz PZSMVIGUYBYGJS-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690774014 1404722396 /nfs/dbraw/zinc/72/23/96/1404722396.db2.gz BSPARFJZDAWDAW-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690774013 1404722586 /nfs/dbraw/zinc/72/25/86/1404722586.db2.gz BSPARFJZDAWDAW-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690787409 1404733978 /nfs/dbraw/zinc/73/39/78/1404733978.db2.gz IIUARCJKCPNJPT-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001690881207 1404794333 /nfs/dbraw/zinc/79/43/33/1404794333.db2.gz MRDWJSPWNROLAY-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001690919561 1404829190 /nfs/dbraw/zinc/82/91/90/1404829190.db2.gz SKNPJNGEMZXXSJ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732001000 1428211681 /nfs/dbraw/zinc/21/16/81/1428211681.db2.gz PNTXHRCUXROIHB-IAGOWNOFSA-N 2 0 339.568 3.227 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725492957 1426170664 /nfs/dbraw/zinc/17/06/64/1426170664.db2.gz PIKXCDMWXNVYEJ-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001725493489 1426171464 /nfs/dbraw/zinc/17/14/64/1426171464.db2.gz FOOHRCNHKGQHJQ-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732001737 1428212410 /nfs/dbraw/zinc/21/24/10/1428212410.db2.gz XVWQJUIGLNHCSN-KRWDZBQOSA-N 2 0 337.552 3.147 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001732002054 1428213005 /nfs/dbraw/zinc/21/30/05/1428213005.db2.gz ZGVBOFWILSVRBU-UEKDZROGSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+](CC)CC ZINC001691097448 1405034111 /nfs/dbraw/zinc/03/41/11/1405034111.db2.gz LUJRSJBNKUJAJK-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105368 1405044506 /nfs/dbraw/zinc/04/45/06/1405044506.db2.gz AULKZXHVYASLRS-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691142988 1405076641 /nfs/dbraw/zinc/07/66/41/1405076641.db2.gz HVUOJLDAKPGBGF-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691150669 1405084866 /nfs/dbraw/zinc/08/48/66/1405084866.db2.gz UAMUKZHRNJJYMU-GUDVDZBRSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H]1C[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691184504 1405122337 /nfs/dbraw/zinc/12/23/37/1405122337.db2.gz NZVOZONIGLCAJW-UAPYVXQJSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CC2CC(C)(C)C2)C2CC2)C1 ZINC001691220721 1405161124 /nfs/dbraw/zinc/16/11/24/1405161124.db2.gz FCQVYNKCPLRYDI-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691302780 1405197814 /nfs/dbraw/zinc/19/78/14/1405197814.db2.gz ZWFWQIRYVJFZGL-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001691306771 1405199977 /nfs/dbraw/zinc/19/99/77/1405199977.db2.gz WUNHRIDHEWWVKN-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001691512091 1405312775 /nfs/dbraw/zinc/31/27/75/1405312775.db2.gz QIRHAPGFHDVIMM-IYARVYRRSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+]1CC=C(C)C ZINC001691518885 1405317518 /nfs/dbraw/zinc/31/75/18/1405317518.db2.gz XDDFPGOIEXAGDE-ZCNNSNEGSA-N 2 0 349.563 3.432 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001691534280 1405327376 /nfs/dbraw/zinc/32/73/76/1405327376.db2.gz YHUCTRHUPDPENR-MUGJNUQGSA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001691624047 1405362612 /nfs/dbraw/zinc/36/26/12/1405362612.db2.gz UAQMHALXBDJYJF-RBUKOAKNSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001691633163 1405370217 /nfs/dbraw/zinc/37/02/17/1405370217.db2.gz XNPRRJUXYCXXQB-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677650 1405411773 /nfs/dbraw/zinc/41/17/73/1405411773.db2.gz FOLDHUJFSXETDH-MOPGFXCFSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001691764892 1405478851 /nfs/dbraw/zinc/47/88/51/1405478851.db2.gz GQINIRNJRSVCMJ-QRVBRYPASA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001691784606 1405492942 /nfs/dbraw/zinc/49/29/42/1405492942.db2.gz IGDSMORSZVWRKP-RBUKOAKNSA-N 2 0 337.552 3.362 10 0 EGAERP C[N@H+](CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1)C1CCCCC1 ZINC001691799731 1405512660 /nfs/dbraw/zinc/51/26/60/1405512660.db2.gz IKOCCIHAXWPNQC-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001691823771 1405540415 /nfs/dbraw/zinc/54/04/15/1405540415.db2.gz WMAYASJAFIRYRL-RTBURBONSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001691911254 1405635765 /nfs/dbraw/zinc/63/57/65/1405635765.db2.gz ZJXLQTPDBHSADK-XLAORIBOSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001692009985 1405728473 /nfs/dbraw/zinc/72/84/73/1405728473.db2.gz ROKGJQOTINQGKC-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692128154 1405787155 /nfs/dbraw/zinc/78/71/55/1405787155.db2.gz HDHUFAHMYQFNOD-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CCC2CCCC2)C1 ZINC001692162312 1405813846 /nfs/dbraw/zinc/81/38/46/1405813846.db2.gz NYOCLUAOWQJLQJ-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2CC)c1 ZINC001692227269 1405857989 /nfs/dbraw/zinc/85/79/89/1405857989.db2.gz WDSQUTVSKKFDDI-VQTJNVASSA-N 2 0 345.531 3.058 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)[NH+](C)C ZINC001692275198 1405906286 /nfs/dbraw/zinc/90/62/86/1405906286.db2.gz BZNVSQOBVQWMBZ-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001692329974 1405948423 /nfs/dbraw/zinc/94/84/23/1405948423.db2.gz QYLBXSJTKBDJIW-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001692334406 1405954653 /nfs/dbraw/zinc/95/46/53/1405954653.db2.gz USNQWNNICFOXRH-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCCC(C)(C)C)[NH+](CC)CC ZINC001692376169 1405982443 /nfs/dbraw/zinc/98/24/43/1405982443.db2.gz GLXZZKSUJVMRJO-BZSNNMDCSA-N 2 0 337.552 3.218 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001698588033 1406207360 /nfs/dbraw/zinc/20/73/60/1406207360.db2.gz SOTMMNVUSJLCPE-SFHVURJKSA-N 2 0 349.544 3.047 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001732021091 1428238242 /nfs/dbraw/zinc/23/82/42/1428238242.db2.gz AYGHVTCVWNSWNP-IEBWSBKVSA-N 2 0 345.531 3.354 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001733597704 1429796406 /nfs/dbraw/zinc/79/64/06/1429796406.db2.gz DDDBCBKHSCCGRV-ASIGSXEYSA-N 2 0 335.536 3.140 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732041727 1428271130 /nfs/dbraw/zinc/27/11/30/1428271130.db2.gz LLWHXXAIJJYJNH-GOSISDBHSA-N 2 0 339.568 3.466 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001732051611 1428291914 /nfs/dbraw/zinc/29/19/14/1428291914.db2.gz XSVMRUKSLLNDJC-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732072032 1428321100 /nfs/dbraw/zinc/32/11/00/1428321100.db2.gz QSMVTSMXNFQDJK-KRWDZBQOSA-N 2 0 342.487 3.227 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001732076233 1428326947 /nfs/dbraw/zinc/32/69/47/1428326947.db2.gz NIQFHAJTMMWQCM-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001732076235 1428326974 /nfs/dbraw/zinc/32/69/74/1428326974.db2.gz NIQFHAJTMMWQCM-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732174218 1428418966 /nfs/dbraw/zinc/41/89/66/1428418966.db2.gz ANOFSUVYSFBEJZ-VZSQWMKGSA-N 2 0 335.536 3.142 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732175456 1428421329 /nfs/dbraw/zinc/42/13/29/1428421329.db2.gz YMUDPDJDDWQLPF-FQEVSTJZSA-N 2 0 345.531 3.475 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200309 1428450820 /nfs/dbraw/zinc/45/08/20/1428450820.db2.gz XKGAUAOBFBEMLA-RTBURBONSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732324193 1428533078 /nfs/dbraw/zinc/53/30/78/1428533078.db2.gz BFEAXSDZVXEKEM-QGZVFWFLSA-N 2 0 339.568 3.229 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732328734 1428535679 /nfs/dbraw/zinc/53/56/79/1428535679.db2.gz OCNJXBBLSKZECV-WFRZBGSESA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCC(C)(C)C ZINC001732346525 1428543241 /nfs/dbraw/zinc/54/32/41/1428543241.db2.gz WGSLTEVNBXCCHK-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001732351967 1428544810 /nfs/dbraw/zinc/54/48/10/1428544810.db2.gz XIYOTUBEVMCBPL-HNNXBMFYSA-N 2 0 342.487 3.179 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001732358489 1428547165 /nfs/dbraw/zinc/54/71/65/1428547165.db2.gz QFOKEXTZXVMOFG-WMZOPIPTSA-N 2 0 345.531 3.048 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001732405988 1428569071 /nfs/dbraw/zinc/56/90/71/1428569071.db2.gz XANDYCRHLSYDEX-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001732405903 1428569132 /nfs/dbraw/zinc/56/91/32/1428569132.db2.gz XZEATWKEIJCMEZ-UHFFFAOYSA-N 2 0 349.563 3.367 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001732424049 1428575393 /nfs/dbraw/zinc/57/53/93/1428575393.db2.gz XGQREZNLUSKYRO-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732430978 1428577707 /nfs/dbraw/zinc/57/77/07/1428577707.db2.gz XBKCOLLVPVKNEI-IDTUSYRASA-N 2 0 328.460 3.049 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCCC2CCC2)C2CCCCC2)C1 ZINC001732477900 1428603671 /nfs/dbraw/zinc/60/36/71/1428603671.db2.gz BOAOQLBWGNRDLF-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001732491498 1428613932 /nfs/dbraw/zinc/61/39/32/1428613932.db2.gz QEUXZKWYCQMANA-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732505929 1428625762 /nfs/dbraw/zinc/62/57/62/1428625762.db2.gz FAFRUHSPOLHMPT-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001732517734 1428636413 /nfs/dbraw/zinc/63/64/13/1428636413.db2.gz MTFGMKBPOZPUSD-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732530361 1428650969 /nfs/dbraw/zinc/65/09/69/1428650969.db2.gz VBNSHDDSRDOGDI-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699139822 1412530500 /nfs/dbraw/zinc/53/05/00/1412530500.db2.gz BOCQXEZVPZEHSW-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141358 1412531828 /nfs/dbraw/zinc/53/18/28/1412531828.db2.gz UVAADUDZUYPNQI-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699147326 1412535531 /nfs/dbraw/zinc/53/55/31/1412535531.db2.gz PWOFNLGWLZJMTB-MJGOQNOKSA-N 2 0 337.552 3.173 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699198131 1412567377 /nfs/dbraw/zinc/56/73/77/1412567377.db2.gz XXEGMFCCKHIHEG-KRWDZBQOSA-N 2 0 331.504 3.060 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699208589 1412575085 /nfs/dbraw/zinc/57/50/85/1412575085.db2.gz XFMABZCAXZOLND-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001699313281 1412633446 /nfs/dbraw/zinc/63/34/46/1412633446.db2.gz FQUSWQHYTHKEOZ-JTHGQSKGSA-N 2 0 335.536 3.093 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001699375829 1412682282 /nfs/dbraw/zinc/68/22/82/1412682282.db2.gz NKEKWNACFFRGBA-MJGOQNOKSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CC2CCCCC2)C1 ZINC001699461258 1412815038 /nfs/dbraw/zinc/81/50/38/1412815038.db2.gz ICRADLCYBJPNQQ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001699464574 1412827235 /nfs/dbraw/zinc/82/72/35/1412827235.db2.gz SIZBVZYNIGMCFY-AZUAARDMSA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486278 1412881824 /nfs/dbraw/zinc/88/18/24/1412881824.db2.gz GUEZKXCGUXBSBN-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001699506286 1412895386 /nfs/dbraw/zinc/89/53/86/1412895386.db2.gz HSDPIKSTPIDRCS-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1CC ZINC001699605126 1412968550 /nfs/dbraw/zinc/96/85/50/1412968550.db2.gz IIDLJJFAFCSBIS-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001699626146 1412992422 /nfs/dbraw/zinc/99/24/22/1412992422.db2.gz JRSGUQIRRZHVOC-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001699741163 1413152252 /nfs/dbraw/zinc/15/22/52/1413152252.db2.gz SSOXYANZKOFSQI-CWHLKURSSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001699752490 1413160018 /nfs/dbraw/zinc/16/00/18/1413160018.db2.gz VIYRYGVPFFTHPB-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001699758490 1413164799 /nfs/dbraw/zinc/16/47/99/1413164799.db2.gz PVYISOHYBYMKBJ-LJQANCHMSA-N 2 0 345.531 3.016 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001699771218 1413177691 /nfs/dbraw/zinc/17/76/91/1413177691.db2.gz SKRULNJZDQHTRI-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699772859 1413179905 /nfs/dbraw/zinc/17/99/05/1413179905.db2.gz DKZGMUVRADFJKS-HKVCONOFSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001699772858 1413180032 /nfs/dbraw/zinc/18/00/32/1413180032.db2.gz DKZGMUVRADFJKS-DHJFXDNESA-N 2 0 347.547 3.330 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1)[NH+](C)C ZINC001699796860 1413205902 /nfs/dbraw/zinc/20/59/02/1413205902.db2.gz QTGRYGNZNGXLGG-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001699827976 1413256255 /nfs/dbraw/zinc/25/62/55/1413256255.db2.gz VNHPVJZZYASYDS-NRFANRHFSA-N 2 0 345.531 3.034 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001699854250 1413284751 /nfs/dbraw/zinc/28/47/51/1413284751.db2.gz SANPMLHETWMOIK-HXUWFJFHSA-N 2 0 335.536 3.047 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1CC ZINC001699930268 1413372174 /nfs/dbraw/zinc/37/21/74/1413372174.db2.gz IZOLOAQMKMWACO-HXUWFJFHSA-N 2 0 345.531 3.138 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001732549345 1428728718 /nfs/dbraw/zinc/72/87/18/1428728718.db2.gz VZJRRLMTIIHWBC-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001700065502 1413481971 /nfs/dbraw/zinc/48/19/71/1413481971.db2.gz LTCMNBIEUAADMS-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001700176587 1413584898 /nfs/dbraw/zinc/58/48/98/1413584898.db2.gz KAWGIFKUFJPSMJ-WYNBNGFRSA-N 2 0 335.536 3.188 10 0 EGAERP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001700192824 1413624908 /nfs/dbraw/zinc/62/49/08/1413624908.db2.gz CSLRFHQIPIRPKT-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CCC2)CC1 ZINC001700198034 1413639940 /nfs/dbraw/zinc/63/99/40/1413639940.db2.gz PHFDKQVTUOCUPY-BGYRXZFFSA-N 2 0 347.547 3.116 10 0 EGAERP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001700252979 1413700481 /nfs/dbraw/zinc/70/04/81/1413700481.db2.gz JFIBUEAGXXBTIU-UHFFFAOYSA-N 2 0 331.504 3.005 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001700284465 1413731001 /nfs/dbraw/zinc/73/10/01/1413731001.db2.gz VNQPIRHDFXOBFU-LSLCWXNRSA-N 2 0 347.547 3.330 10 0 EGAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001700286864 1413734668 /nfs/dbraw/zinc/73/46/68/1413734668.db2.gz WTZDCTSIMPLQKO-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001700323660 1413791582 /nfs/dbraw/zinc/79/15/82/1413791582.db2.gz JXOLCAQVEZCGCB-DLBZAZTESA-N 2 0 325.541 3.122 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001700352565 1413846863 /nfs/dbraw/zinc/84/68/63/1413846863.db2.gz BEJAQYOXPVMXRY-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001732567096 1428760398 /nfs/dbraw/zinc/76/03/98/1428760398.db2.gz PPNHCDJEOHMXAX-WMLDXEAASA-N 2 0 339.911 3.083 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001700366235 1413891454 /nfs/dbraw/zinc/89/14/54/1413891454.db2.gz SZTIATBWHNPVGL-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001700404990 1413941755 /nfs/dbraw/zinc/94/17/55/1413941755.db2.gz OLNGVGNUGZUKAA-IRXDYDNUSA-N 2 0 345.531 3.322 10 0 EGAERP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700517193 1414169526 /nfs/dbraw/zinc/16/95/26/1414169526.db2.gz JJTCHCPRLKMRSM-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001700526424 1414188123 /nfs/dbraw/zinc/18/81/23/1414188123.db2.gz KYIDQDIBRBTGNS-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](F)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001700527106 1414190500 /nfs/dbraw/zinc/19/05/00/1414190500.db2.gz QURSFHNYLGEWMS-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001700545548 1414214078 /nfs/dbraw/zinc/21/40/78/1414214078.db2.gz JGCIKNTUSCQTAN-QWCIBIBSSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001700570123 1414239045 /nfs/dbraw/zinc/23/90/45/1414239045.db2.gz COYKFLCPDUGUCG-ZWKOTPCHSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001700644686 1414309964 /nfs/dbraw/zinc/30/99/64/1414309964.db2.gz ZUPWGMBEABQHSI-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700671123 1414327236 /nfs/dbraw/zinc/32/72/36/1414327236.db2.gz AZPZPDJCDKTPRK-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001700677346 1414332866 /nfs/dbraw/zinc/33/28/66/1414332866.db2.gz DMCIPTYFYHKPPV-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CCCC1CCCC1)C1CC1 ZINC001700724868 1414386591 /nfs/dbraw/zinc/38/65/91/1414386591.db2.gz MUIMXMVUVZIMIP-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001700754085 1414424556 /nfs/dbraw/zinc/42/45/56/1414424556.db2.gz MCXBFXJCUFDKCU-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1CCCCC1 ZINC001700759239 1414431770 /nfs/dbraw/zinc/43/17/70/1414431770.db2.gz GLGZUNNSPUZTJH-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2C[C@@H]([NH2+]CCCC3CCC3)C[C@H]2C)CC1 ZINC001700850759 1414499267 /nfs/dbraw/zinc/49/92/67/1414499267.db2.gz SRYHWOVWCPDXSJ-XLIONFOSSA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001700860237 1414509092 /nfs/dbraw/zinc/50/90/92/1414509092.db2.gz SDTFYPTZSJCPEP-UEALOQRBSA-N 2 0 343.515 3.297 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001700862682 1414511822 /nfs/dbraw/zinc/51/18/22/1414511822.db2.gz HZKCHKNIVVPCND-HUUJSLGLSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1F ZINC001700890828 1414549532 /nfs/dbraw/zinc/54/95/32/1414549532.db2.gz XBABIWHCRKVDET-LPHOPBHVSA-N 2 0 349.494 3.027 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001700900644 1414555987 /nfs/dbraw/zinc/55/59/87/1414555987.db2.gz ZHEIMGIMUOJNCW-NYQZOWANSA-N 2 0 347.547 3.236 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001700914394 1414567160 /nfs/dbraw/zinc/56/71/60/1414567160.db2.gz XKXYAVMVWYVLJL-PMACEKPBSA-N 2 0 349.563 3.317 10 0 EGAERP 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ZINC001732801007 1428980480 /nfs/dbraw/zinc/98/04/80/1428980480.db2.gz DXWNTVXGNWAVBZ-MSOLQXFVSA-N 2 0 349.544 3.012 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732806201 1428984906 /nfs/dbraw/zinc/98/49/06/1428984906.db2.gz CXXRYSUBPHOTKC-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732812000 1428990116 /nfs/dbraw/zinc/99/01/16/1428990116.db2.gz IIUBOHJORFQDQW-QZTJIDSGSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2c(C)cccc2C)C1 ZINC001732967427 1429092151 /nfs/dbraw/zinc/09/21/51/1429092151.db2.gz DOKMZBMQXJCKMM-MOPGFXCFSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001733003006 1429123915 /nfs/dbraw/zinc/12/39/15/1429123915.db2.gz NKLWLCAESXUCNU-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733009031 1429128838 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XYUPUTLQJDLBLK-IEVDXQOXSA-N 2 0 349.563 3.432 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001707267059 1417273722 /nfs/dbraw/zinc/27/37/22/1417273722.db2.gz FEKRHGBYLOPUHZ-FGTMMUONSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001707281512 1417291380 /nfs/dbraw/zinc/29/13/80/1417291380.db2.gz PPBKORAMGHJABQ-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CCCC(C)(C)C ZINC001707378453 1417301659 /nfs/dbraw/zinc/30/16/59/1417301659.db2.gz MOWKTPUCVXGJHJ-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H]1CCC[C@H](CC[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001707381518 1417304282 /nfs/dbraw/zinc/30/42/82/1417304282.db2.gz QHHCDEUOKQYSFL-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001707401412 1417314408 /nfs/dbraw/zinc/31/44/08/1417314408.db2.gz VAXPDIYYPIDYEN-JZXOWHBKSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001707478095 1417375863 /nfs/dbraw/zinc/37/58/63/1417375863.db2.gz MTTCXTOPWBVBGP-LJQANCHMSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CCC2=CCCCC2)C1 ZINC001733049765 1429186479 /nfs/dbraw/zinc/18/64/79/1429186479.db2.gz MUUJWENUKUYKGU-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001712953938 1417511165 /nfs/dbraw/zinc/51/11/65/1417511165.db2.gz HTRQVJZSMAQGEW-SFHVURJKSA-N 2 0 343.515 3.062 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)c1ccccc1F ZINC001713027993 1417579943 /nfs/dbraw/zinc/57/99/43/1417579943.db2.gz PMUZCBLIXZIDJM-IRXDYDNUSA-N 2 0 349.494 3.057 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001713056541 1417610027 /nfs/dbraw/zinc/61/00/27/1417610027.db2.gz FDMOMDDYULIYHA-UHFFFAOYSA-N 2 0 349.544 3.047 10 0 EGAERP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](Cc2ccsc2)C1)C1CCCCC1 ZINC001713085000 1417631448 /nfs/dbraw/zinc/63/14/48/1417631448.db2.gz NRHQGJDJBHTEGH-QGZVFWFLSA-N 2 0 349.544 3.093 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001713233023 1417820176 /nfs/dbraw/zinc/82/01/76/1417820176.db2.gz JQMOAULONMTVNN-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1c(C(=O)N2CCC[C@H](C[NH2+]CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001713233922 1417820666 /nfs/dbraw/zinc/82/06/66/1417820666.db2.gz CLMRCSCQAPRZNX-QGZVFWFLSA-N 2 0 342.487 3.131 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713252682 1417844935 /nfs/dbraw/zinc/84/49/35/1417844935.db2.gz DSMNKJUJRGRSPL-LLHWWHOWSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001713256276 1417857075 /nfs/dbraw/zinc/85/70/75/1417857075.db2.gz CYXREDKRBOXKDB-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001713263820 1417872326 /nfs/dbraw/zinc/87/23/26/1417872326.db2.gz KOTSMPXYMLTNFW-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713278910 1417903240 /nfs/dbraw/zinc/90/32/40/1417903240.db2.gz JDBOOOUYSWMZCG-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001713332669 1417956773 /nfs/dbraw/zinc/95/67/73/1417956773.db2.gz RCOZXGORVVCJHI-QUCCMNQESA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001713356586 1417973141 /nfs/dbraw/zinc/97/31/41/1417973141.db2.gz GWXSSWOBFWEOPK-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001713557719 1418351908 /nfs/dbraw/zinc/35/19/08/1418351908.db2.gz VXXDBNZRFPSFGF-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713558788 1418353949 /nfs/dbraw/zinc/35/39/49/1418353949.db2.gz UYELVVBCSNBRBO-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001713698700 1418454901 /nfs/dbraw/zinc/45/49/01/1418454901.db2.gz QTFHJMNZRSHZGJ-PMACEKPBSA-N 2 0 345.531 3.309 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001713702862 1418461639 /nfs/dbraw/zinc/46/16/39/1418461639.db2.gz QBIVAZVFDINPTB-OALUTQOASA-N 2 0 331.504 3.106 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713716269 1418481830 /nfs/dbraw/zinc/48/18/30/1418481830.db2.gz LVJSKOLHFFIUOB-LSWULPBNSA-N 2 0 349.563 3.386 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001713716356 1418482012 /nfs/dbraw/zinc/48/20/12/1418482012.db2.gz OHLXQJKUEJOUFI-BHIYHBOVSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001713733999 1418524700 /nfs/dbraw/zinc/52/47/00/1418524700.db2.gz BRQDOHCDBZYUJH-SXLOBPIMSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713734547 1418525705 /nfs/dbraw/zinc/52/57/05/1418525705.db2.gz PEDIQEGUMMAUKJ-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713734549 1418526078 /nfs/dbraw/zinc/52/60/78/1418526078.db2.gz PEDIQEGUMMAUKJ-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C1CC1 ZINC001713775745 1418591510 /nfs/dbraw/zinc/59/15/10/1418591510.db2.gz PWGZOGUVYVCJLI-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001713779114 1418595009 /nfs/dbraw/zinc/59/50/09/1418595009.db2.gz MBSFRWQVJUNUFA-UHFFFAOYSA-N 2 0 337.552 3.364 10 0 EGAERP CCc1cccc(C[NH+]2CCC(N(C)C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001713785552 1418602489 /nfs/dbraw/zinc/60/24/89/1418602489.db2.gz TWUCXMVLJNADTR-UHFFFAOYSA-N 2 0 345.531 3.012 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804930 1418618025 /nfs/dbraw/zinc/61/80/25/1418618025.db2.gz UENRHNCUKVTCMU-WLMAVBAVSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](CC1=CCCCC1)CC2 ZINC001713850511 1418646389 /nfs/dbraw/zinc/64/63/89/1418646389.db2.gz RGVDLFLJULRSPF-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713855329 1418652080 /nfs/dbraw/zinc/65/20/80/1418652080.db2.gz SRCNKJATFLNPCK-RBUKOAKNSA-N 2 0 347.547 3.044 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001713858343 1418655245 /nfs/dbraw/zinc/65/52/45/1418655245.db2.gz LEYFXCPGNYXHSZ-UHFFFAOYSA-N 2 0 349.544 3.047 10 0 EGAERP C[NH+](CC(=O)N1CCC[C@@H](C[N@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001713890791 1418686899 /nfs/dbraw/zinc/68/68/99/1418686899.db2.gz BOLHKOLGHPLFCP-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001713956059 1418738191 /nfs/dbraw/zinc/73/81/91/1418738191.db2.gz XJEAOEMPQHOBOA-IYARVYRRSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714040388 1418829792 /nfs/dbraw/zinc/82/97/92/1418829792.db2.gz PTJIBTGLQLBAAS-KAGICYHLSA-N 2 0 335.536 3.140 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714047683 1418844483 /nfs/dbraw/zinc/84/44/83/1418844483.db2.gz FQNXDZPUIHXRSO-FQEVSTJZSA-N 2 0 347.547 3.191 10 0 EGAERP CC[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1CCCC1 ZINC001714079796 1418874229 /nfs/dbraw/zinc/87/42/29/1418874229.db2.gz KBCCOMAHLDHLIK-INIZCTEOSA-N 2 0 337.533 3.098 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001714109455 1418910652 /nfs/dbraw/zinc/91/06/52/1418910652.db2.gz XXTHDNJUZLEDOA-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCC3CCCCCC3)CCCC2)C1 ZINC001714152082 1418958710 /nfs/dbraw/zinc/95/87/10/1418958710.db2.gz YCWAFQXEUKAOLU-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001714160775 1418971529 /nfs/dbraw/zinc/97/15/29/1418971529.db2.gz VNVNYFXJRCXHHA-FPOVZHCZSA-N 2 0 349.563 3.316 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714188058 1418994963 /nfs/dbraw/zinc/99/49/63/1418994963.db2.gz SWQWEZYPMUNWKN-CTWPCTMYSA-N 2 0 337.552 3.312 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+](C)C ZINC001714188291 1418995180 /nfs/dbraw/zinc/99/51/80/1418995180.db2.gz LOSPKLKFYQLLLD-WIYYLYMNSA-N 2 0 349.563 3.483 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1CC ZINC001733200268 1429304356 /nfs/dbraw/zinc/30/43/56/1429304356.db2.gz QLKWXKKNEGDAKQ-BGEOSOQGSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CCCCCC1 ZINC001714268193 1419049994 /nfs/dbraw/zinc/04/99/94/1419049994.db2.gz QRNBIZAFAGDWNQ-LNLFQRSKSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001714307299 1419087125 /nfs/dbraw/zinc/08/71/25/1419087125.db2.gz WMLICADTDOCYIW-XNKGIFADSA-N 2 0 335.536 3.090 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714418894 1419155691 /nfs/dbraw/zinc/15/56/91/1419155691.db2.gz HMWWWWXCVSVNLO-WMZOPIPTSA-N 2 0 345.531 3.272 10 0 EGAERP CCCc1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001714446616 1419178770 /nfs/dbraw/zinc/17/87/70/1419178770.db2.gz VDLDBGMBJZZZIC-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CCC(C)(C)C ZINC001714481277 1419204279 /nfs/dbraw/zinc/20/42/79/1419204279.db2.gz CTEIRUHHGZIVSY-QGZVFWFLSA-N 2 0 339.568 3.419 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)C1 ZINC001714523756 1419249512 /nfs/dbraw/zinc/24/95/12/1419249512.db2.gz KTRYBVIUDNACLP-OALUTQOASA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CCC(C)(C)C ZINC001714594436 1419344536 /nfs/dbraw/zinc/34/45/36/1419344536.db2.gz LHVUTBBCALNCJY-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001714594270 1419344897 /nfs/dbraw/zinc/34/48/97/1419344897.db2.gz KNGMMURMZYWGLN-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001714812150 1419522906 /nfs/dbraw/zinc/52/29/06/1419522906.db2.gz LDNZTSWPBZKQHI-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@H+]1CC[C@H](N(CCC)C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001714858466 1419577989 /nfs/dbraw/zinc/57/79/89/1419577989.db2.gz AHWCYHANKIBLLT-HRSGFYEVSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714923107 1419675424 /nfs/dbraw/zinc/67/54/24/1419675424.db2.gz BCIZFTRJHFPUAP-HXUWFJFHSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001714926582 1419680351 /nfs/dbraw/zinc/68/03/51/1419680351.db2.gz KPPAMUXROWREJR-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001715019935 1419751065 /nfs/dbraw/zinc/75/10/65/1419751065.db2.gz HUMJLEHKWYGWQP-FUHWJXTLSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001715062191 1419800751 /nfs/dbraw/zinc/80/07/51/1419800751.db2.gz FIQUGWYFCUFYRP-PKOBYXMFSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1CCCCC1 ZINC001715085342 1419823908 /nfs/dbraw/zinc/82/39/08/1419823908.db2.gz QGAWLNSBDQGABN-IBGZPJMESA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001715102091 1419842834 /nfs/dbraw/zinc/84/28/34/1419842834.db2.gz VTHKGJUXGUURCB-MSOLQXFVSA-N 2 0 349.563 3.458 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001715115936 1419860251 /nfs/dbraw/zinc/86/02/51/1419860251.db2.gz URRKBPRXVQGFMP-TZIWHRDSSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001715145443 1419891273 /nfs/dbraw/zinc/89/12/73/1419891273.db2.gz NYGCDBSLEOPYLD-UTKZUKDTSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001715159839 1419901513 /nfs/dbraw/zinc/90/15/13/1419901513.db2.gz WBOUUGNYUYZFDK-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CCC(CC)C[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001715169233 1419907361 /nfs/dbraw/zinc/90/73/61/1419907361.db2.gz BFCDJVYHDOPSTL-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001715190779 1419922959 /nfs/dbraw/zinc/92/29/59/1419922959.db2.gz KWYSBACQWHAUIB-MXVIHJGJSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)C1 ZINC001715194835 1419926792 /nfs/dbraw/zinc/92/67/92/1419926792.db2.gz DHYJUPHAMITBLS-KRWDZBQOSA-N 2 0 345.531 3.170 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715215396 1419947380 /nfs/dbraw/zinc/94/73/80/1419947380.db2.gz OFFBRHSUOQKBPG-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715321037 1420028565 /nfs/dbraw/zinc/02/85/65/1420028565.db2.gz MPICRFHXLOWGPN-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001715393417 1420090996 /nfs/dbraw/zinc/09/09/96/1420090996.db2.gz NSIXLYPNJKKWPM-AZUAARDMSA-N 2 0 345.531 3.272 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001715417210 1420110965 /nfs/dbraw/zinc/11/09/65/1420110965.db2.gz MJUUGIRCGSMPMQ-HKUYNNGSSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715433348 1420121435 /nfs/dbraw/zinc/12/14/35/1420121435.db2.gz BWFWZACWGNMYIQ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001715522919 1420210278 /nfs/dbraw/zinc/21/02/78/1420210278.db2.gz QAPVZUVPFCKEJV-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001715526802 1420216121 /nfs/dbraw/zinc/21/61/21/1420216121.db2.gz AYWRZUQAUUUONW-GOSISDBHSA-N 2 0 345.531 3.321 10 0 EGAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715531050 1420221711 /nfs/dbraw/zinc/22/17/11/1420221711.db2.gz AAWRVYSUURSLJE-SFHVURJKSA-N 2 0 325.541 3.077 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)cc(C)c1 ZINC001715710345 1420305218 /nfs/dbraw/zinc/30/52/18/1420305218.db2.gz BCQPVXPTWJLCOW-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP CN(CC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715827661 1420358827 /nfs/dbraw/zinc/35/88/27/1420358827.db2.gz KDDCYPJKEOVUOV-QRVBRYPASA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715932844 1420405144 /nfs/dbraw/zinc/40/51/44/1420405144.db2.gz MSGVWNOOAKHMDD-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001715985136 1420443527 /nfs/dbraw/zinc/44/35/27/1420443527.db2.gz XOFPWQHYSOANJR-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001715998695 1420452675 /nfs/dbraw/zinc/45/26/75/1420452675.db2.gz RJEUKIBQJLSSBE-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716066996 1420524963 /nfs/dbraw/zinc/52/49/63/1420524963.db2.gz KBTGILBTVZVGQC-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716066997 1420525160 /nfs/dbraw/zinc/52/51/60/1420525160.db2.gz KBTGILBTVZVGQC-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001716069145 1420526457 /nfs/dbraw/zinc/52/64/57/1420526457.db2.gz JFGMMOCZOSUADF-UXHICEINSA-N 2 0 345.531 3.136 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716145712 1420541275 /nfs/dbraw/zinc/54/12/75/1420541275.db2.gz KTGYNNPUEDBCBE-APWZRJJASA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716174370 1420551533 /nfs/dbraw/zinc/55/15/33/1420551533.db2.gz QNGADFCATZBOLG-IRXDYDNUSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001716396958 1420632369 /nfs/dbraw/zinc/63/23/69/1420632369.db2.gz HECIGLXAEWBPET-CQSZACIVSA-N 2 0 335.517 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001716492848 1420714659 /nfs/dbraw/zinc/71/46/59/1420714659.db2.gz XITXIXSWDOJDMR-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)CCC[NH+]1CCCC1 ZINC001716508534 1420740025 /nfs/dbraw/zinc/74/00/25/1420740025.db2.gz MJRWGIMCIDAILO-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716515308 1420744849 /nfs/dbraw/zinc/74/48/49/1420744849.db2.gz IOBXQDWAAYDVSE-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716520643 1420749196 /nfs/dbraw/zinc/74/91/96/1420749196.db2.gz FDNBXQNCRWUIIL-IKLBINMZSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716521131 1420749364 /nfs/dbraw/zinc/74/93/64/1420749364.db2.gz IBMASICFCTWWLU-PMACEKPBSA-N 2 0 349.563 3.338 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@H](CC)C1 ZINC001716639719 1420796598 /nfs/dbraw/zinc/79/65/98/1420796598.db2.gz RWRKDMXNCXVBAM-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CC[C@@H]2CNC(=O)CCCC[NH+](C)C)c(C)c1 ZINC001716667578 1420821819 /nfs/dbraw/zinc/82/18/19/1420821819.db2.gz CUURRYMPEXMHON-LJQANCHMSA-N 2 0 345.531 3.034 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CC2)C1 ZINC001716699362 1420852011 /nfs/dbraw/zinc/85/20/11/1420852011.db2.gz NJNCZKHQVPUZII-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001716700635 1420853366 /nfs/dbraw/zinc/85/33/66/1420853366.db2.gz KSBIADOVTUZYGZ-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001716733204 1420891711 /nfs/dbraw/zinc/89/17/11/1420891711.db2.gz BEEJAUBAPZLYHA-CTNGQTDRSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001716769757 1420914101 /nfs/dbraw/zinc/91/41/01/1420914101.db2.gz FMIKNAANKWMBFV-MJGOQNOKSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001716784500 1420920791 /nfs/dbraw/zinc/92/07/91/1420920791.db2.gz XQPFSTFLRPJKSW-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001716788680 1420923336 /nfs/dbraw/zinc/92/33/36/1420923336.db2.gz QZBKISIUBUYIMD-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716798751 1420931784 /nfs/dbraw/zinc/93/17/84/1420931784.db2.gz FBDWOKDZADOVHU-ROUUACIJSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCC1 ZINC001716902760 1421036077 /nfs/dbraw/zinc/03/60/77/1421036077.db2.gz NHNBGDIDMOOGSC-TZIWHRDSSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC(C)C)[NH+](CC)CC ZINC001716999626 1421069389 /nfs/dbraw/zinc/06/93/89/1421069389.db2.gz LWNUREQFKXHDEG-RDGPPVDQSA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717038642 1421093458 /nfs/dbraw/zinc/09/34/58/1421093458.db2.gz QCJVBTVQKLDOBW-AWTIPJNISA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001717093250 1421106304 /nfs/dbraw/zinc/10/63/04/1421106304.db2.gz LKSJFHJMJIGAPR-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001717114731 1421118466 /nfs/dbraw/zinc/11/84/66/1421118466.db2.gz GGXJGBPMYKNUNY-IRXDYDNUSA-N 2 0 345.531 3.484 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717121845 1421124870 /nfs/dbraw/zinc/12/48/70/1421124870.db2.gz PDDQDOYOXBLXEK-UAFMIMERSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001717128867 1421130164 /nfs/dbraw/zinc/13/01/64/1421130164.db2.gz PAKGFSJLERANTJ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001717157133 1421146921 /nfs/dbraw/zinc/14/69/21/1421146921.db2.gz SSIJYQAUKCITBZ-LUNNPTDRSA-N 2 0 335.536 3.092 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)C1 ZINC001717160671 1421151129 /nfs/dbraw/zinc/15/11/29/1421151129.db2.gz AJLIJBBDRYGHDQ-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP CC1CCC(C[N@H+](C)CCCN(C)C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717207594 1421178921 /nfs/dbraw/zinc/17/89/21/1421178921.db2.gz HXKWTYGMBGNEOS-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCCC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001717214242 1421190735 /nfs/dbraw/zinc/19/07/35/1421190735.db2.gz NUZBHGUYFNGJLF-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717216035 1421193973 /nfs/dbraw/zinc/19/39/73/1421193973.db2.gz CJTLPQCTDHILPB-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001717238183 1421206410 /nfs/dbraw/zinc/20/64/10/1421206410.db2.gz MGOXQNUNPOWIPZ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001717270613 1421227687 /nfs/dbraw/zinc/22/76/87/1421227687.db2.gz FSTXVTZWIWESHA-IAGOWNOFSA-N 2 0 343.515 3.147 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CCCCCC1 ZINC001717338091 1421275189 /nfs/dbraw/zinc/27/51/89/1421275189.db2.gz QCNVXILPBIMKEZ-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717356189 1421291092 /nfs/dbraw/zinc/29/10/92/1421291092.db2.gz PJYPHKZNUHXYCO-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001733292176 1429471591 /nfs/dbraw/zinc/47/15/91/1429471591.db2.gz HWWJUZVVDJCSAX-UHFFFAOYSA-N 2 0 347.547 3.142 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CCC1CCCCC1 ZINC001717372274 1421312021 /nfs/dbraw/zinc/31/20/21/1421312021.db2.gz FXSFIQDNVCGTRF-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CCC1CCCC1 ZINC001717411480 1421343732 /nfs/dbraw/zinc/34/37/32/1421343732.db2.gz SXUABRIUHQNYQF-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001717422378 1421352204 /nfs/dbraw/zinc/35/22/04/1421352204.db2.gz FPZPEDOWJSGTOF-ZWKOTPCHSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001717422819 1421352903 /nfs/dbraw/zinc/35/29/03/1421352903.db2.gz LFTUUSHBRKBQIP-DLBZAZTESA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717433017 1421361153 /nfs/dbraw/zinc/36/11/53/1421361153.db2.gz OFLBUIJJRHRKGP-HZPDHXFCSA-N 2 0 337.552 3.026 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717530010 1421466432 /nfs/dbraw/zinc/46/64/32/1421466432.db2.gz GIBUIIYQUANXCL-NZSAHSFTSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2CC2CCCCC2)C1 ZINC001717539419 1421478879 /nfs/dbraw/zinc/47/88/79/1421478879.db2.gz VGUIPOVYDFWBTD-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001717749914 1421612510 /nfs/dbraw/zinc/61/25/10/1421612510.db2.gz KUZYVZGMOCEAPZ-VQIMIIECSA-N 2 0 333.520 3.087 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001717830470 1421642891 /nfs/dbraw/zinc/64/28/91/1421642891.db2.gz SXRQMPGYYRDKSV-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001717839342 1421653721 /nfs/dbraw/zinc/65/37/21/1421653721.db2.gz GIHHXNYYLBUTMH-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001717840264 1421654599 /nfs/dbraw/zinc/65/45/99/1421654599.db2.gz HDRWJCBOHJMFDF-ICSRJNTNSA-N 2 0 335.536 3.166 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC1=CCCCC1)CC2 ZINC001717840557 1421655165 /nfs/dbraw/zinc/65/51/65/1421655165.db2.gz JMDZTHDPGMNIGJ-PZJWPPBQSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001717875674 1421682705 /nfs/dbraw/zinc/68/27/05/1421682705.db2.gz TXMPGCNNWSUULF-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717881008 1421685636 /nfs/dbraw/zinc/68/56/36/1421685636.db2.gz KZXBLSXJXUWDIM-OALUTQOASA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001717960011 1421731795 /nfs/dbraw/zinc/73/17/95/1421731795.db2.gz UNISSUBSWOCQHU-SJORKVTESA-N 2 0 325.541 3.170 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCCc2ccccc21)C(C)(C)C ZINC001717966927 1421738918 /nfs/dbraw/zinc/73/89/18/1421738918.db2.gz UBGSICDPGDTYOH-RTBURBONSA-N 2 0 345.531 3.136 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001717979516 1421750635 /nfs/dbraw/zinc/75/06/35/1421750635.db2.gz IPSCOVIRAVNKQC-RZBKHLCMSA-N 2 0 349.563 3.290 10 0 EGAERP Cc1ccccc1C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+](C)C)CC1 ZINC001717979780 1421750656 /nfs/dbraw/zinc/75/06/56/1421750656.db2.gz OIBHHCOUDNSDKR-GOSISDBHSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001717980744 1421752296 /nfs/dbraw/zinc/75/22/96/1421752296.db2.gz KEWCJJRAOPALHL-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001717994750 1421763271 /nfs/dbraw/zinc/76/32/71/1421763271.db2.gz RHKXSWULVATHRE-XBMUEBEBSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1)C1CCC1 ZINC001733379824 1429563836 /nfs/dbraw/zinc/56/38/36/1429563836.db2.gz MEGWPFXRBQFXMH-SFHVURJKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001733388245 1429576850 /nfs/dbraw/zinc/57/68/50/1429576850.db2.gz WJDDIYZLOAYKCW-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001733409649 1429608191 /nfs/dbraw/zinc/60/81/91/1429608191.db2.gz BSSXNBTUHSLLKW-NQIIRXRSSA-N 2 0 345.531 3.369 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733452620 1429666056 /nfs/dbraw/zinc/66/60/56/1429666056.db2.gz LEPDIHUDSRPMDF-OALUTQOASA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC(C)C)C1 ZINC001733457701 1429677746 /nfs/dbraw/zinc/67/77/46/1429677746.db2.gz AOQLUQOKIOWCBY-UYAOXDASSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001733458963 1429680740 /nfs/dbraw/zinc/68/07/40/1429680740.db2.gz JTHDDRIPNGUNRS-VKEZQZQQSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001733467202 1429700877 /nfs/dbraw/zinc/70/08/77/1429700877.db2.gz DINZQFHBLKKGID-CTNGQTDRSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C)C1CCC1 ZINC001722943279 1424270090 /nfs/dbraw/zinc/27/00/90/1424270090.db2.gz POZBTDRSWHVMFT-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001722945856 1424272396 /nfs/dbraw/zinc/27/23/96/1424272396.db2.gz RYTPUEVNNRHHEV-OALUTQOASA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001723310316 1424344192 /nfs/dbraw/zinc/34/41/92/1424344192.db2.gz CDNFUPGBLSBKIA-ZWKOTPCHSA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1CC ZINC001723384329 1424380479 /nfs/dbraw/zinc/38/04/79/1424380479.db2.gz HZFQMCIYDCGDEW-ICSRJNTNSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CC2)C1 ZINC001723580352 1424473825 /nfs/dbraw/zinc/47/38/25/1424473825.db2.gz BLCZJPXGFPBLGV-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001723594538 1424480585 /nfs/dbraw/zinc/48/05/85/1424480585.db2.gz GCOXGUWAROFEJO-HKUYNNGSSA-N 2 0 343.515 3.169 10 0 EGAERP CCC(CC)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001723617435 1424494885 /nfs/dbraw/zinc/49/48/85/1424494885.db2.gz MIMJTFHZYLCHCR-YQQQUEKLSA-N 2 0 347.547 3.020 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1)C1CCC1 ZINC001723906592 1424602887 /nfs/dbraw/zinc/60/28/87/1424602887.db2.gz UBVOAOPSKMASFB-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)c1cccc(F)c1 ZINC001723967053 1424614407 /nfs/dbraw/zinc/61/44/07/1424614407.db2.gz KWNFULWWYPEWHX-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001724176681 1424712892 /nfs/dbraw/zinc/71/28/92/1424712892.db2.gz XTFANXAKNIXAQG-HOHWPDKRSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724248655 1424754393 /nfs/dbraw/zinc/75/43/93/1424754393.db2.gz DZFRGZMLRQDYKM-MHVQWJQTSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724301827 1424785547 /nfs/dbraw/zinc/78/55/47/1424785547.db2.gz GILDYOXDEKNRAY-RBUKOAKNSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCC1)[NH+](C)C ZINC001733562938 1429760576 /nfs/dbraw/zinc/76/05/76/1429760576.db2.gz GPFPCBGPQDOUGX-IYWMVGAKSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCCCC1 ZINC001724657135 1425025035 /nfs/dbraw/zinc/02/50/35/1425025035.db2.gz QJLIEYOMBPUFIT-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)CC1 ZINC001724759894 1425131140 /nfs/dbraw/zinc/13/11/40/1425131140.db2.gz SAKCIEHTFPRUPK-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CC[NH+]1CCC(CCCCCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724892169 1425279951 /nfs/dbraw/zinc/27/99/51/1425279951.db2.gz IUVYCRXPBKAIHJ-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001724942949 1425327976 /nfs/dbraw/zinc/32/79/76/1425327976.db2.gz YQXUCXNCVJJGDB-WWJLMDQWSA-N 2 0 349.544 3.216 10 0 EGAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724957273 1425344139 /nfs/dbraw/zinc/34/41/39/1425344139.db2.gz UJECAGXLURPWRG-SFHVURJKSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001725002403 1425411666 /nfs/dbraw/zinc/41/16/66/1425411666.db2.gz LFPVLTZJUSROAA-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725007207 1425421635 /nfs/dbraw/zinc/42/16/35/1425421635.db2.gz OQHLWCABDUQZID-KRCKVYFQSA-N 2 0 341.515 3.040 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001725054908 1425489452 /nfs/dbraw/zinc/48/94/52/1425489452.db2.gz BHHRUDIPOXLFIR-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001725059761 1425499321 /nfs/dbraw/zinc/49/93/21/1425499321.db2.gz SHHPBQMZEBJPSY-HMECNJMJSA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)CC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001725068894 1425510193 /nfs/dbraw/zinc/51/01/93/1425510193.db2.gz NTPBPNGQJNMVOO-QLOJAFMTSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@H](C(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001725074878 1425514912 /nfs/dbraw/zinc/51/49/12/1425514912.db2.gz ANMJFSDEWBXZJO-SOAGJPPSSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001725173439 1425685063 /nfs/dbraw/zinc/68/50/63/1425685063.db2.gz BPLAVSOKNJWIQR-QGZVFWFLSA-N 2 0 339.568 3.370 10 0 EGAERP CCCC[N@@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001725294052 1425942611 /nfs/dbraw/zinc/94/26/11/1425942611.db2.gz MSKXZZHPRORCPY-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CC1CCC(C)CC1)C2 ZINC001725346151 1425997777 /nfs/dbraw/zinc/99/77/77/1425997777.db2.gz RZOBMNZZPCHSJM-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001725423118 1426076911 /nfs/dbraw/zinc/07/69/11/1426076911.db2.gz RLBGXAQCWJTMSW-HNNXBMFYSA-N 2 0 342.487 3.225 10 0 EGAERP CCCCCC[N@H+](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001725426584 1426087835 /nfs/dbraw/zinc/08/78/35/1426087835.db2.gz WGWFBFPNNAJPSR-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)cc1 ZINC001725443665 1426104174 /nfs/dbraw/zinc/10/41/74/1426104174.db2.gz AAPWXWCKFOGCRU-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001725609059 1426267251 /nfs/dbraw/zinc/26/72/51/1426267251.db2.gz GEIOYQZVZPZKHA-BDBHXIFOSA-N 2 0 347.547 3.186 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001725612397 1426272299 /nfs/dbraw/zinc/27/22/99/1426272299.db2.gz WDIPKDJOOQWQOE-ZWOKBUDYSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001725756434 1426435952 /nfs/dbraw/zinc/43/59/52/1426435952.db2.gz JTQOYHBEVITCCA-GNBGVQPESA-N 2 0 337.552 3.338 10 0 EGAERP CC[C@@H](C(=O)NCC1=CC[N@H+](CCC2CCCCCC2)CC1)[NH+](C)C ZINC001725823776 1426498589 /nfs/dbraw/zinc/49/85/89/1426498589.db2.gz MLSRJNCDAOHGHE-FQEVSTJZSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC2CCCCCC2)CC1 ZINC001725833511 1426512711 /nfs/dbraw/zinc/51/27/11/1426512711.db2.gz LAHVFWOHALNJGP-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001731294881 1427237375 /nfs/dbraw/zinc/23/73/75/1427237375.db2.gz CIXQVRGAISKHQP-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CCCC1 ZINC001731308913 1427250762 /nfs/dbraw/zinc/25/07/62/1427250762.db2.gz LTQGOIZJXCGHNF-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)CCC(C)(C)C ZINC001731321562 1427261947 /nfs/dbraw/zinc/26/19/47/1427261947.db2.gz ZPYFRRGWHAIBDE-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001731387510 1427335347 /nfs/dbraw/zinc/33/53/47/1427335347.db2.gz ITNVLKMTAHBPOO-SFHVURJKSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CC2CCCC2)C1 ZINC001731424299 1427404231 /nfs/dbraw/zinc/40/42/31/1427404231.db2.gz ICGZAXIUXYQPSK-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001731433742 1427415098 /nfs/dbraw/zinc/41/50/98/1427415098.db2.gz OPVQKALHHFPZLN-INIZCTEOSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001731486073 1427460709 /nfs/dbraw/zinc/46/07/09/1427460709.db2.gz GGQXNYYQVBOESA-ZCNNSNEGSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731488223 1427462731 /nfs/dbraw/zinc/46/27/31/1427462731.db2.gz RKJYXVLKVVZCJR-YRXWBPOGSA-N 2 0 337.552 3.168 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001731499256 1427476955 /nfs/dbraw/zinc/47/69/55/1427476955.db2.gz DOLBALXSRLRQTO-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731498976 1427477041 /nfs/dbraw/zinc/47/70/41/1427477041.db2.gz BNWHAGUEYPVZFT-RURPWVQCSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731498969 1427477484 /nfs/dbraw/zinc/47/74/84/1427477484.db2.gz BNWHAGUEYPVZFT-GHOSXJJBSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001731559966 1427593964 /nfs/dbraw/zinc/59/39/64/1427593964.db2.gz TZIFLHMLXJSHBK-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(NC1CCC([NH2+]CCCC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001731573637 1427617067 /nfs/dbraw/zinc/61/70/67/1427617067.db2.gz ZOUAPJGIBGWPKH-UHFFFAOYSA-N 2 0 347.547 3.070 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001731679642 1427727864 /nfs/dbraw/zinc/72/78/64/1427727864.db2.gz MTAWPLXJYFSHKD-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)c1 ZINC001731682523 1427730165 /nfs/dbraw/zinc/73/01/65/1427730165.db2.gz WNDLYXTZWCQDKM-SFHVURJKSA-N 2 0 345.531 3.236 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001731740685 1427828536 /nfs/dbraw/zinc/82/85/36/1427828536.db2.gz XYDMLNKHHJKHDF-MJGOQNOKSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC2=CCCCC2)C1 ZINC001731792441 1427937398 /nfs/dbraw/zinc/93/73/98/1427937398.db2.gz YUTIDZICEHSFQW-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001731840979 1428062678 /nfs/dbraw/zinc/06/26/78/1428062678.db2.gz IANGUQRCKNGPNM-YSKLNCTFSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731847912 1428074088 /nfs/dbraw/zinc/07/40/88/1428074088.db2.gz UZOYEGKITIAJAS-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001731854095 1428085238 /nfs/dbraw/zinc/08/52/38/1428085238.db2.gz CBJYOMNRNOAJAS-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001731854219 1428086942 /nfs/dbraw/zinc/08/69/42/1428086942.db2.gz MBBMCKGTGXLHBQ-WOJBJXKFSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)c1ccc(F)cc1 ZINC001731870673 1428126425 /nfs/dbraw/zinc/12/64/25/1428126425.db2.gz KYFIFEAFCHRWIA-SJORKVTESA-N 2 0 349.494 3.057 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885098 1428160071 /nfs/dbraw/zinc/16/00/71/1428160071.db2.gz FCQWEBVBZBCOEB-IAGOWNOFSA-N 2 0 347.547 3.020 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H]3CC)C2)CC1 ZINC001733693310 1429910810 /nfs/dbraw/zinc/91/08/10/1429910810.db2.gz LNQPUONBEKVOOD-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733715773 1429934570 /nfs/dbraw/zinc/93/45/70/1429934570.db2.gz DQGRHZTZPJAVAD-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001733763385 1429981796 /nfs/dbraw/zinc/98/17/96/1429981796.db2.gz JNJFBFBQTFDMOM-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733765442 1429985869 /nfs/dbraw/zinc/98/58/69/1429985869.db2.gz WISOVZLPEFXNRM-PHWHVTFISA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001733766143 1429988020 /nfs/dbraw/zinc/98/80/20/1429988020.db2.gz CBZLAPAOWJZIPJ-AZUAARDMSA-N 2 0 345.531 3.367 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733804852 1430074547 /nfs/dbraw/zinc/07/45/47/1430074547.db2.gz IFYXGKRODUNEAK-IPLHWJFFSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cccc(C[NH2+]C2(C)CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001733869981 1437696363 /nfs/dbraw/zinc/69/63/63/1437696363.db2.gz MSEJGHXYBOGGQZ-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001733896847 1437713995 /nfs/dbraw/zinc/71/39/95/1437713995.db2.gz ABXSEJYUQJYJSD-WLMAVBAVSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001733927489 1437740524 /nfs/dbraw/zinc/74/05/24/1437740524.db2.gz AZSXYSSZDBSOOH-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001733942780 1437759103 /nfs/dbraw/zinc/75/91/03/1437759103.db2.gz ZLBPLXUYYHRALF-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001734006318 1437798027 /nfs/dbraw/zinc/79/80/27/1437798027.db2.gz XHKOKPWKPDOFOT-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CC1CCC(C)CC1 ZINC001734044648 1437833039 /nfs/dbraw/zinc/83/30/39/1437833039.db2.gz PNTMVHRFSDRRCC-ADKAHSJRSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001734089972 1437874776 /nfs/dbraw/zinc/87/47/76/1437874776.db2.gz ACDBTPXKGXRGHK-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CC1=CCCCC1)C1CCC1 ZINC001734103700 1437889139 /nfs/dbraw/zinc/88/91/39/1437889139.db2.gz LSGFIQSWZWLUOK-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001734105001 1437890942 /nfs/dbraw/zinc/89/09/42/1437890942.db2.gz YVILLPWMTXGVEZ-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001734105648 1437891686 /nfs/dbraw/zinc/89/16/86/1437891686.db2.gz GQFUFLMOIKQZFO-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CCCC1CCC1 ZINC001734107318 1437893956 /nfs/dbraw/zinc/89/39/56/1437893956.db2.gz VMNHAEFFTZQDSB-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734124727 1437903963 /nfs/dbraw/zinc/90/39/63/1437903963.db2.gz XOCUUFUJKKXJPJ-JTGQJZMRSA-N 2 0 343.515 3.155 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001734131433 1437907601 /nfs/dbraw/zinc/90/76/01/1437907601.db2.gz PFKZFHZHHBYRKU-JLAWEPINSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001734192569 1437933912 /nfs/dbraw/zinc/93/39/12/1437933912.db2.gz GNGMZWYLGARYBR-ZCNNSNEGSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001734289326 1438019308 /nfs/dbraw/zinc/01/93/08/1438019308.db2.gz LKBQSETWWPOVDF-MISYRCLQSA-N 2 0 345.531 3.271 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001734396005 1438080880 /nfs/dbraw/zinc/08/08/80/1438080880.db2.gz UUGVPDKXZZLRKH-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734430238 1438094232 /nfs/dbraw/zinc/09/42/32/1438094232.db2.gz ZHZDNOOVDCUTSM-LDBCMITESA-N 2 0 343.515 3.297 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001734441421 1438103709 /nfs/dbraw/zinc/10/37/09/1438103709.db2.gz SUNOKMOOFXKZFN-JPLJXNOCSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001734455787 1438113251 /nfs/dbraw/zinc/11/32/51/1438113251.db2.gz FTTKOXDRMHDWDC-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734484968 1438128494 /nfs/dbraw/zinc/12/84/94/1438128494.db2.gz QGRHJOVZPBNPGA-ICSRJNTNSA-N 2 0 345.531 3.282 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001734550553 1438147481 /nfs/dbraw/zinc/14/74/81/1438147481.db2.gz IETONHXWNFRZKG-RBUKOAKNSA-N 2 0 345.531 3.258 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001734554875 1438154006 /nfs/dbraw/zinc/15/40/06/1438154006.db2.gz UYKCFFHTGOLYHM-GOSISDBHSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734579667 1438171951 /nfs/dbraw/zinc/17/19/51/1438171951.db2.gz HQEQXGKSFLLJBU-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCC2CC2)CC(C)(C)C1 ZINC001750943483 1440117162 /nfs/dbraw/zinc/11/71/62/1440117162.db2.gz GVZWGWMHRLQNMI-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750943821 1440117412 /nfs/dbraw/zinc/11/74/12/1440117412.db2.gz HFTMADSOFLFTCV-YZBXUTEPSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+](CC)CC ZINC001750945003 1440117659 /nfs/dbraw/zinc/11/76/59/1440117659.db2.gz QGYIONVBOYGGIZ-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001750945396 1440117999 /nfs/dbraw/zinc/11/79/99/1440117999.db2.gz SSCOJQPDCLAKFN-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP O[C@@H]1CCCCC[C@H]1[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000368577550 168376866 /nfs/dbraw/zinc/37/68/66/168376866.db2.gz WWRYZIJRDUAYAN-JAGQDSLRSA-N 2 0 328.500 3.465 10 0 EGAERP Cc1cccc(CCC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)c1 ZINC000181104470 234088052 /nfs/dbraw/zinc/08/80/52/234088052.db2.gz SJGLSGRRIKMXMH-OAQYLSRUSA-N 2 0 329.532 3.030 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H]2CCC[C@@H]21 ZINC000353432396 283138595 /nfs/dbraw/zinc/13/85/95/283138595.db2.gz BRFDELLZBVGYFZ-VSZNYVQBSA-N 2 0 333.545 3.347 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000265919024 283188159 /nfs/dbraw/zinc/18/81/59/283188159.db2.gz BOYYSAGWXLJDJL-XLIONFOSSA-N 2 0 345.531 3.473 10 0 EGAERP CN(CC[C@H]1CCCC[N@@H+]1C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000266119065 248108596 /nfs/dbraw/zinc/10/85/96/248108596.db2.gz IOXNMVPEMIWTCV-HXUWFJFHSA-N 2 0 343.515 3.229 10 0 EGAERP C[C@H](C[NH2+]CC1CC[NH+](CCO)CC1)Cc1ccc(C(C)(C)C)cc1 ZINC000095443062 218387323 /nfs/dbraw/zinc/38/73/23/218387323.db2.gz GWVFAFGVBMKGIA-SFHVURJKSA-N 2 0 346.559 3.457 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccccc1F ZINC000268766442 141059011 /nfs/dbraw/zinc/05/90/11/141059011.db2.gz BYQGRXCCDXSSPL-MAODMQOUSA-N 2 0 342.458 3.359 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCOCC2 ZINC000186336109 144130528 /nfs/dbraw/zinc/13/05/28/144130528.db2.gz ZSEPHGBDKYDUCS-RBUKOAKNSA-N 2 0 338.536 3.206 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370130 144131961 /nfs/dbraw/zinc/13/19/61/144131961.db2.gz ZWDIFRLGWNRYEX-ROUUACIJSA-N 2 0 326.525 3.059 10 0 EGAERP CCOC(=O)CN(Cc1ccc(-n2ccnc2)cc1C)C1CCC1 ZINC000361744028 144358649 /nfs/dbraw/zinc/35/86/49/144358649.db2.gz DYUOTKSZDJCGRQ-UHFFFAOYSA-N 2 0 327.428 3.098 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121813431 152372920 /nfs/dbraw/zinc/37/29/20/152372920.db2.gz IRFCDWBURJIRQI-RXVVDRJESA-N 2 0 344.547 3.004 10 0 EGAERP COc1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000310950098 154144113 /nfs/dbraw/zinc/14/41/13/154144113.db2.gz LUGFHYXWMZCTQL-LPHOPBHVSA-N 2 0 340.467 3.401 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2ccncc2)CC1 ZINC000348920533 156287736 /nfs/dbraw/zinc/28/77/36/156287736.db2.gz KMILOWNENGGDOK-UHFFFAOYSA-N 2 0 333.439 3.350 10 0 EGAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000343885616 164058193 /nfs/dbraw/zinc/05/81/93/164058193.db2.gz XVCWRXWOTRIDNW-XLIONFOSSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348121089 164640348 /nfs/dbraw/zinc/64/03/48/164640348.db2.gz QSHVITAGVMUJIU-MRXNPFEDSA-N 2 0 327.476 3.040 10 0 EGAERP CC1CC[NH+](CCC[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352027228 165199537 /nfs/dbraw/zinc/19/95/37/165199537.db2.gz OFMLNPBPWVCBKF-UHFFFAOYSA-N 2 0 326.488 3.299 10 0 EGAERP CC1CC[NH+](CCN2CCC[C@@H](c3ncc4n3CCCC4)C2)CC1 ZINC000367057239 168173616 /nfs/dbraw/zinc/17/36/16/168173616.db2.gz HKWKIRMOTRPZLF-GOSISDBHSA-N 2 0 330.520 3.131 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2n1CCCC2 ZINC000367435779 168224796 /nfs/dbraw/zinc/22/47/96/168224796.db2.gz CZWBGQXLIIWZBO-PXNSSMCTSA-N 2 0 338.499 3.220 10 0 EGAERP CCCCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000179516885 265381895 /nfs/dbraw/zinc/38/18/95/265381895.db2.gz KJOZKDVZXOSJLT-GOSISDBHSA-N 2 0 348.531 3.390 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283493538 275728294 /nfs/dbraw/zinc/72/82/94/275728294.db2.gz YFVARMSRDZCOCV-USNOLKROSA-N 2 0 328.500 3.269 10 0 EGAERP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)c1cccnc1 ZINC000305771098 276022489 /nfs/dbraw/zinc/02/24/89/276022489.db2.gz KALPVBRJDPQIMD-AQNXPRMDSA-N 2 0 331.504 3.136 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NCC[N@@H+]1CCCC[C@@H]1C)c1ccccc1 ZINC000354249686 279140825 /nfs/dbraw/zinc/14/08/25/279140825.db2.gz APZFKMFGNUOZOJ-PKOBYXMFSA-N 2 0 331.504 3.060 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000129744998 307619105 /nfs/dbraw/zinc/61/91/05/307619105.db2.gz JVVVIHAOSDORTI-UUKMXZOPSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200484 309066575 /nfs/dbraw/zinc/06/65/75/309066575.db2.gz XWQFULUZPHVDEK-LSDHHAIUSA-N 2 0 347.894 3.303 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000414246936 309068598 /nfs/dbraw/zinc/06/85/98/309068598.db2.gz BYYPWIWWEFDNPT-JRBPQWBISA-N 2 0 330.516 3.485 10 0 EGAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296322 309071130 /nfs/dbraw/zinc/07/11/30/309071130.db2.gz DWSJXTDWBHVMGL-MOPGFXCFSA-N 2 0 330.516 3.428 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(C(C)(C)O)cc2)ccc1F ZINC000295519849 308335208 /nfs/dbraw/zinc/33/52/08/308335208.db2.gz UPICFANOURMMGP-UHFFFAOYSA-N 2 0 330.447 3.405 10 0 EGAERP C[C@@H]1C[C@H](C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414730292 309097788 /nfs/dbraw/zinc/09/77/88/309097788.db2.gz GMCNFFVBIGPDNU-VXGBXAGGSA-N 2 0 344.286 3.252 10 0 EGAERP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414826893 309104078 /nfs/dbraw/zinc/10/40/78/309104078.db2.gz GKIANQRIXIYGCR-MRXNPFEDSA-N 2 0 326.488 3.259 10 0 EGAERP c1c(C[NH2+]CC[C@@H]2CC[NH2+]C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414833206 309104419 /nfs/dbraw/zinc/10/44/19/309104419.db2.gz PKMHINBIPZWVGL-INIZCTEOSA-N 2 0 339.487 3.149 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414840339 309104834 /nfs/dbraw/zinc/10/48/34/309104834.db2.gz NCEAQJQGZSNUFX-GJZGRUSLSA-N 2 0 337.895 3.345 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414932567 309109959 /nfs/dbraw/zinc/10/99/59/309109959.db2.gz CUQBMWRCASTJTG-FOIQADDNSA-N 2 0 328.431 3.492 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414932577 309110039 /nfs/dbraw/zinc/11/00/39/309110039.db2.gz CUQBMWRCASTJTG-YWZLYKJASA-N 2 0 328.431 3.492 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414945390 309110566 /nfs/dbraw/zinc/11/05/66/309110566.db2.gz RKZOSMMISGKMBD-YRGRVCCFSA-N 2 0 343.393 3.010 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000415074508 309118510 /nfs/dbraw/zinc/11/85/10/309118510.db2.gz AHJWTQCFRSZJQC-IPMKNSEASA-N 2 0 343.515 3.174 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000415074505 309118597 /nfs/dbraw/zinc/11/85/97/309118597.db2.gz AHJWTQCFRSZJQC-CEXWTWQISA-N 2 0 343.515 3.174 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1ccc(C)cc1)[NH+](C)C ZINC000415894922 309146578 /nfs/dbraw/zinc/14/65/78/309146578.db2.gz AGZSVCHKWJPNDC-IBGZPJMESA-N 2 0 340.471 3.139 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)c1 ZINC000415905804 309147369 /nfs/dbraw/zinc/14/73/69/309147369.db2.gz IYOKZEBMEJVMBT-HOTGVXAUSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000415950206 309150923 /nfs/dbraw/zinc/15/09/23/309150923.db2.gz GVRTVINVMVQALN-KRWDZBQOSA-N 2 0 332.492 3.134 10 0 EGAERP CCCN(CC[NH+]1CCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416004276 309154224 /nfs/dbraw/zinc/15/42/24/309154224.db2.gz GNZRTKHAUPGJJY-UHFFFAOYSA-N 2 0 330.476 3.020 10 0 EGAERP C[C@@H](CCCC[NH3+])NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000418695740 309253939 /nfs/dbraw/zinc/25/39/39/309253939.db2.gz LRIXLAWHXWCSAM-INIZCTEOSA-N 2 0 340.556 3.046 10 0 EGAERP Brc1cccc2c1OCC[C@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420405027 309286699 /nfs/dbraw/zinc/28/66/99/309286699.db2.gz MRYRWXRZFFYGSQ-SWLSCSKDSA-N 2 0 339.277 3.252 10 0 EGAERP CC[C@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000421388575 309322275 /nfs/dbraw/zinc/32/22/75/309322275.db2.gz QARWPNJISSNSCC-QUCCMNQESA-N 2 0 345.531 3.264 10 0 EGAERP CCOc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)ccc1OC ZINC000422727400 309365340 /nfs/dbraw/zinc/36/53/40/309365340.db2.gz HIJVHLUBDLEGRC-ZDUSSCGKSA-N 2 0 329.444 3.107 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCOc2ccc(Br)cc21 ZINC000422768102 309367312 /nfs/dbraw/zinc/36/73/12/309367312.db2.gz UGTABPCCABZCLY-SMDDNHRTSA-N 2 0 327.266 3.380 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000422830262 309370700 /nfs/dbraw/zinc/37/07/00/309370700.db2.gz CJXKUNPAIZGCLQ-INIZCTEOSA-N 2 0 327.472 3.496 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc(-c2ccc(OC)cc2)cs1 ZINC000422833051 309371024 /nfs/dbraw/zinc/37/10/24/309371024.db2.gz YASKGMKGMZJWIA-INIZCTEOSA-N 2 0 334.485 3.267 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2c(F)cccc2F)CCCC1 ZINC000422846810 309371750 /nfs/dbraw/zinc/37/17/50/309371750.db2.gz QHJBYMVFGRBOQA-AWEZNQCLSA-N 2 0 326.431 3.120 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422900641 309375026 /nfs/dbraw/zinc/37/50/26/309375026.db2.gz AQFWBZJWBUHOAU-VKQJQLINSA-N 2 0 327.516 3.432 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940262 309377143 /nfs/dbraw/zinc/37/71/43/309377143.db2.gz GQVHQWHUGFMROP-LBPRGKRZSA-N 2 0 335.398 3.343 10 0 EGAERP CC(C)[NH+](CCCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422988846 309379674 /nfs/dbraw/zinc/37/96/74/309379674.db2.gz ACCLPEWUSZLAIN-TZIWHRDSSA-N 2 0 345.531 3.341 10 0 EGAERP C[C@H]([NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423004696 309380624 /nfs/dbraw/zinc/38/06/24/309380624.db2.gz PTHKGPNQVJBWDY-ZIFCJYIRSA-N 2 0 338.499 3.445 10 0 EGAERP Cc1ccsc1CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012237 309380695 /nfs/dbraw/zinc/38/06/95/309380695.db2.gz CNPVVJJNHKPPAI-VQIMIIECSA-N 2 0 328.481 3.445 10 0 EGAERP CCN1CC[C@H]([NH2+][C@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017850 309381273 /nfs/dbraw/zinc/38/12/73/309381273.db2.gz PREJNIUATMEJDH-HJSHSUPBSA-N 2 0 327.875 3.330 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCC[C@@H]1CCCCO1 ZINC000423029474 309381812 /nfs/dbraw/zinc/38/18/12/309381812.db2.gz ALQNTYDZPOWFAV-ILZDJORESA-N 2 0 330.472 3.181 10 0 EGAERP COc1ccc([C@H](NCC2(C[NH+](C)C)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423041882 309382556 /nfs/dbraw/zinc/38/25/56/309382556.db2.gz XZYIKPOZANYAHI-PMACEKPBSA-N 2 0 345.531 3.200 10 0 EGAERP [NH3+][C@H]1CCCCC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423089538 309385415 /nfs/dbraw/zinc/38/54/15/309385415.db2.gz VIUWMESAIJEMQQ-SSHXOBKSSA-N 2 0 333.442 3.041 10 0 EGAERP COc1ccc([C@@H](NC2CC([NH+]3CCCCC3)C2)[C@H]2CCC[NH2+]2)cc1 ZINC000423099391 309385861 /nfs/dbraw/zinc/38/58/61/309385861.db2.gz UATWJCLCGBFWEB-OWQMCBFZSA-N 2 0 343.515 3.095 10 0 EGAERP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1)N1CCCCC1 ZINC000423106562 309386222 /nfs/dbraw/zinc/38/62/22/309386222.db2.gz ZZTFLCZJMWJOFP-USYVTKNRSA-N 2 0 347.547 3.068 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+][C@H]1CCC[NH2+]CC1 ZINC000423154658 309388454 /nfs/dbraw/zinc/38/84/54/309388454.db2.gz PFMGCGWSSZYBDT-IINYFYTJSA-N 2 0 327.241 3.307 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC[NH2+]1 ZINC000423373655 309397583 /nfs/dbraw/zinc/39/75/83/309397583.db2.gz HONLDPRJRZFTQR-RULNRJAQSA-N 2 0 327.241 3.306 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC[NH2+]1 ZINC000423373654 309397603 /nfs/dbraw/zinc/39/76/03/309397603.db2.gz HONLDPRJRZFTQR-ISTVAULSSA-N 2 0 327.241 3.306 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2c1ccc(F)c2Br ZINC000423407762 309398963 /nfs/dbraw/zinc/39/89/63/309398963.db2.gz WJPFAWDJCVVQMQ-IIMNLJJBSA-N 2 0 327.241 3.163 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C[C@@H]1C ZINC000423527019 309404875 /nfs/dbraw/zinc/40/48/75/309404875.db2.gz LWZRCZGENKAULA-KRPWINEDSA-N 2 0 348.531 3.098 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000424114847 309429824 /nfs/dbraw/zinc/42/98/24/309429824.db2.gz SKNHGXUYGOZMFB-SFHVURJKSA-N 2 0 331.504 3.017 10 0 EGAERP Cc1nc2ccc(C[NH+]3CCC(OCC[NH+](C)C)CC3)cc2s1 ZINC000426402517 309506564 /nfs/dbraw/zinc/50/65/64/309506564.db2.gz CRIVAHDNMYLITF-UHFFFAOYSA-N 2 0 333.501 3.147 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000431629758 309638395 /nfs/dbraw/zinc/63/83/95/309638395.db2.gz FZXDWVGTOFZXJR-UHFFFAOYSA-N 2 0 326.488 3.486 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000447604052 309984253 /nfs/dbraw/zinc/98/42/53/309984253.db2.gz YJYYCBWWQZBXCM-PMACEKPBSA-N 2 0 334.504 3.278 10 0 EGAERP Cc1nccn1CCC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449093379 310036553 /nfs/dbraw/zinc/03/65/53/310036553.db2.gz WDAPSNBKUHGHHP-SFHVURJKSA-N 2 0 340.515 3.267 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2nccs2)CC1 ZINC000449107849 310037617 /nfs/dbraw/zinc/03/76/17/310037617.db2.gz OKYNPQBEZGJXRY-INIZCTEOSA-N 2 0 329.513 3.371 10 0 EGAERP C[C@H](C[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CC[NH+](C)CC1 ZINC000449137861 310039537 /nfs/dbraw/zinc/03/95/37/310039537.db2.gz YWKCEUGYCOVHMG-SUMDDJOVSA-N 2 0 335.923 3.202 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000449165192 310041518 /nfs/dbraw/zinc/04/15/18/310041518.db2.gz UMBPEVZFOTUAPM-RCOXNQKVSA-N 2 0 342.527 3.485 10 0 EGAERP CC[C@H](C[C@H](C)CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449176590 310042351 /nfs/dbraw/zinc/04/23/51/310042351.db2.gz QJFBNCXZBMCBCZ-NLWGTHIKSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](C)C2CCOCC2)CC1 ZINC000449189071 310043345 /nfs/dbraw/zinc/04/33/45/310043345.db2.gz ORCUNVGAVDINRU-QZTJIDSGSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)CC(C)(C)C)CC1 ZINC000449201087 310044167 /nfs/dbraw/zinc/04/41/67/310044167.db2.gz CMDLWNKPTMVIRX-XLIONFOSSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[NH+]2CCCCC2)CC1 ZINC000449218461 310045463 /nfs/dbraw/zinc/04/54/63/310045463.db2.gz IKHNVZQLYRUPQY-IBGZPJMESA-N 2 0 329.532 3.158 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H]2CCC[C@@H]21 ZINC000453232116 310265714 /nfs/dbraw/zinc/26/57/14/310265714.db2.gz JCGAFKIIEJYLAT-WBAXXEDZSA-N 2 0 344.890 3.488 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@@H]2CCOC2)C1 ZINC000464058938 310617355 /nfs/dbraw/zinc/61/73/55/310617355.db2.gz MMUIZNUTWCZENI-DFQSSKMNSA-N 2 0 346.515 3.312 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]C/C(C)=C\c2ccc(Cl)cc2)CC1 ZINC000513015769 312199806 /nfs/dbraw/zinc/19/98/06/312199806.db2.gz ZYZYKTYSXCHWKA-ICFOKQHNSA-N 2 0 335.923 3.361 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H]2CCC[C@@H]21 ZINC000513654392 312214943 /nfs/dbraw/zinc/21/49/43/312214943.db2.gz IFXMMDVJUMVLTH-AVGNSLFASA-N 2 0 329.307 3.473 10 0 EGAERP c1cc2ccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cc2[nH]1 ZINC000527724068 312924521 /nfs/dbraw/zinc/92/45/21/312924521.db2.gz DPXAAZIAOADTKN-UHFFFAOYSA-N 2 0 327.472 3.149 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015417 313000296 /nfs/dbraw/zinc/00/02/96/313000296.db2.gz XJTVQKDNTVCXPM-PXNSSMCTSA-N 3 0 345.531 3.295 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015415 313000360 /nfs/dbraw/zinc/00/03/60/313000360.db2.gz XJTVQKDNTVCXPM-FXAWDEMLSA-N 3 0 345.531 3.295 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C1CC(F)(F)C1 ZINC000529544412 313351570 /nfs/dbraw/zinc/35/15/70/313351570.db2.gz MZKJPERMJFXCIQ-CQSZACIVSA-N 2 0 338.442 3.167 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(Cl)c(F)c1 ZINC000534329291 313972672 /nfs/dbraw/zinc/97/26/72/313972672.db2.gz XFVMSUHRYXYYDX-AWEZNQCLSA-N 2 0 327.875 3.157 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572378352 317331307 /nfs/dbraw/zinc/33/13/07/317331307.db2.gz ACTFLRVGWNNHTI-UTJXIGIESA-N 2 0 325.859 3.084 10 0 EGAERP CC(C)Cc1ncc(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)s1 ZINC000178785406 323360301 /nfs/dbraw/zinc/36/03/01/323360301.db2.gz JFALWXHOJCBPKB-HZPDHXFCSA-N 2 0 339.549 3.321 10 0 EGAERP C[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000382623709 324252946 /nfs/dbraw/zinc/25/29/46/324252946.db2.gz HHDUOHUPSZMJAO-NJDAHSKKSA-N 2 0 329.532 3.409 10 0 EGAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)s1 ZINC000397656800 324295046 /nfs/dbraw/zinc/29/50/46/324295046.db2.gz YQQPLGKSVIXYCA-UHFFFAOYSA-N 2 0 344.524 3.482 10 0 EGAERP NC(=O)c1cccc(CN[C@H]2CC[N@H+](Cc3ccccc3)C3(CC3)C2)c1 ZINC000579006997 325049284 /nfs/dbraw/zinc/04/92/84/325049284.db2.gz ULRJDCRJGRORJQ-FQEVSTJZSA-N 2 0 349.478 3.072 10 0 EGAERP c1ccc(-c2noc(CC[N@@H+]3CC[C@H](CNc4ccccn4)C3)n2)cc1 ZINC000157743202 455226313 /nfs/dbraw/zinc/22/63/13/455226313.db2.gz IZIFEDSLMVRBRM-MRXNPFEDSA-N 2 0 349.438 3.108 10 0 EGAERP Brc1cnccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532072 460797999 /nfs/dbraw/zinc/79/79/99/460797999.db2.gz KMVLPZMHUXIGNF-KGLIPLIRSA-N 2 0 338.293 3.056 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2nccs2)CC1 ZINC000088696765 454116733 /nfs/dbraw/zinc/11/67/33/454116733.db2.gz CAGXUQKBPJJHEB-UHFFFAOYSA-N 2 0 344.528 3.007 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H](C)C(=O)Nc2ccc(OC)cc2)CC1 ZINC000057847389 454152105 /nfs/dbraw/zinc/15/21/05/454152105.db2.gz ZBBBGCREOZWBPH-MRXNPFEDSA-N 2 0 347.503 3.076 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)cc1Br ZINC000045664009 454172795 /nfs/dbraw/zinc/17/27/95/454172795.db2.gz ADTAHPCVZBUABP-LBPRGKRZSA-N 2 0 329.282 3.450 10 0 EGAERP Cc1nc(CC[NH2+]C2CC[NH+](CCc3ccccc3)CC2)cs1 ZINC000089712381 454182555 /nfs/dbraw/zinc/18/25/55/454182555.db2.gz APCNSQSRLKCMEL-UHFFFAOYSA-N 2 0 329.513 3.291 10 0 EGAERP C[C@H](CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076092 455437233 /nfs/dbraw/zinc/43/72/33/455437233.db2.gz OCINOGOCXYKREV-TZIWHRDSSA-N 2 0 329.532 3.282 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)[nH]n1 ZINC000097057228 454397955 /nfs/dbraw/zinc/39/79/55/454397955.db2.gz YWDKSTPIWLATPN-CEDBRAGKSA-N 2 0 338.499 3.149 10 0 EGAERP C[N@@H+](Cc1ccco1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121158459 454400389 /nfs/dbraw/zinc/40/03/89/454400389.db2.gz PABSHPGFNOURRD-HXUWFJFHSA-N 2 0 328.456 3.157 10 0 EGAERP CC(C)c1ccc(CC[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000121373421 454427245 /nfs/dbraw/zinc/42/72/45/454427245.db2.gz LMSRNUYWDJKKJA-QFIPXVFZSA-N 2 0 343.559 3.454 10 0 EGAERP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000091399221 454432478 /nfs/dbraw/zinc/43/24/78/454432478.db2.gz KALPVBRJDPQIMD-UFYCRDLUSA-N 2 0 331.504 3.136 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(n2cc(C[N@@H+]3CCCC3(C)C)nn2)CC1 ZINC000048297781 454468502 /nfs/dbraw/zinc/46/85/02/454468502.db2.gz DMGXKJLCRSRQQJ-INIZCTEOSA-N 2 0 333.524 3.336 10 0 EGAERP CC(C)CCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000073737334 454474284 /nfs/dbraw/zinc/47/42/84/454474284.db2.gz HBYINZSATRVAEC-SFHVURJKSA-N 2 0 345.531 3.313 10 0 EGAERP CC(C)C(=O)N1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000134128732 454505991 /nfs/dbraw/zinc/50/59/91/454505991.db2.gz HDNRODUOJHAQTI-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000123126936 454605315 /nfs/dbraw/zinc/60/53/15/454605315.db2.gz GBELUUYWXJZPFY-HZPDHXFCSA-N 2 0 341.499 3.355 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000106126882 454680971 /nfs/dbraw/zinc/68/09/71/454680971.db2.gz AVSGVKCDRVJOCP-CQSZACIVSA-N 2 0 344.421 3.230 10 0 EGAERP C[C@@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@H]1n1ccnc1 ZINC000246288555 455465281 /nfs/dbraw/zinc/46/52/81/455465281.db2.gz OPPZPQDXVCLISV-UYAOXDASSA-N 2 0 327.472 3.415 10 0 EGAERP C[C@H](CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl)C[NH+]1CCCC1 ZINC000165316038 454898122 /nfs/dbraw/zinc/89/81/22/454898122.db2.gz GPMGDHZWZCUGGT-CABCVRRESA-N 2 0 347.894 3.303 10 0 EGAERP CCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165945722 454906350 /nfs/dbraw/zinc/90/63/50/454906350.db2.gz VNXIVFICQKHXCL-PXNSSMCTSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccoc1 ZINC000177884882 454916015 /nfs/dbraw/zinc/91/60/15/454916015.db2.gz QHUMYWBDDOBKHX-OXQOHEQNSA-N 2 0 328.456 3.376 10 0 EGAERP CCN(CC)C(=O)C[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000170676780 454953994 /nfs/dbraw/zinc/95/39/94/454953994.db2.gz WOGQICDMYVOJLF-QGZVFWFLSA-N 2 0 331.504 3.019 10 0 EGAERP NC(=O)c1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000180104809 455133143 /nfs/dbraw/zinc/13/31/43/455133143.db2.gz UAMSTHJEDMYSDR-SEJPIABJSA-N 2 0 349.478 3.071 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000156610613 455137834 /nfs/dbraw/zinc/13/78/34/455137834.db2.gz WZRKIDLUFQQLIT-LJQANCHMSA-N 2 0 329.532 3.158 10 0 EGAERP CCOC(=O)c1cnc2ccc(C)cc2c1N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000172580754 455162810 /nfs/dbraw/zinc/16/28/10/455162810.db2.gz AVYBDIFAFWSKJJ-OAHLLOKOSA-N 2 0 339.439 3.004 10 0 EGAERP CCOC(=O)[C@H](c1ccccc1)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245570110 455332596 /nfs/dbraw/zinc/33/25/96/455332596.db2.gz GLQONWXDUZYGPY-NJAFHUGGSA-N 2 0 327.428 3.070 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245639569 455345169 /nfs/dbraw/zinc/34/51/69/455345169.db2.gz ALJBVAXOOVHTPK-MXEMCNAFSA-N 2 0 327.516 3.256 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NCCC1CC[NH+](CC)CC1)c1ccccc1 ZINC000174110575 455360626 /nfs/dbraw/zinc/36/06/26/455360626.db2.gz PCWGNUFJXIZQOD-HXUWFJFHSA-N 2 0 345.531 3.308 10 0 EGAERP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246715691 455519498 /nfs/dbraw/zinc/51/94/98/455519498.db2.gz CXGHCEFGJYPJAN-ICSRJNTNSA-N 2 0 345.531 3.086 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(SC)cc2)[C@@H](C)C1 ZINC000247047117 455551279 /nfs/dbraw/zinc/55/12/79/455551279.db2.gz OBGLYQDHVFGZLS-WMLDXEAASA-N 2 0 335.517 3.009 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC(=O)Nc3ccc(Cl)cc3)CC[C@H]21 ZINC000247259472 455580319 /nfs/dbraw/zinc/58/03/19/455580319.db2.gz RMZBOLKZHSHBPB-RHSMWYFYSA-N 2 0 335.879 3.085 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266970 455613093 /nfs/dbraw/zinc/61/30/93/455613093.db2.gz ZDXJBJPAKACJMJ-DYESRHJHSA-N 2 0 343.515 3.473 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1cccc(Cl)c1 ZINC000269030391 455769317 /nfs/dbraw/zinc/76/93/17/455769317.db2.gz ROHJKVCFUYMALR-CYBMUJFWSA-N 2 0 335.883 3.222 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)[C@H](C)C1 ZINC000285131793 455792463 /nfs/dbraw/zinc/79/24/63/455792463.db2.gz SKHLRABQKSPKCS-IEBWSBKVSA-N 2 0 343.515 3.018 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C[C@@H]2CCC[NH2+]2)C2CC2)cc1)C(C)C ZINC000186561835 455793612 /nfs/dbraw/zinc/79/36/12/455793612.db2.gz NGSHRTHVAVXTER-IBGZPJMESA-N 2 0 343.515 3.274 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3F)C2)[nH+]1 ZINC000195516307 455977548 /nfs/dbraw/zinc/97/75/48/455977548.db2.gz QORMTGOJQAYYJG-KDOFPFPSSA-N 2 0 347.409 3.136 10 0 EGAERP COc1cc(CN(CC[NH3+])CCc2ccccc2)cc(Cl)c1OC ZINC000261962786 455978408 /nfs/dbraw/zinc/97/84/08/455978408.db2.gz HNBPWMWOGSRWJE-UHFFFAOYSA-N 2 0 348.874 3.361 10 0 EGAERP CN(c1ccccc1C[N@@H+]1CCCSCC1)C1CC[NH+](C)CC1 ZINC000272731564 456054493 /nfs/dbraw/zinc/05/44/93/456054493.db2.gz HAAGVVKMFCUWHU-UHFFFAOYSA-N 2 0 333.545 3.156 10 0 EGAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)NCC1([NH3+])CCCCCC1 ZINC000237046437 456224906 /nfs/dbraw/zinc/22/49/06/456224906.db2.gz CTTZTQJKQCWZPW-UHFFFAOYSA-N 2 0 343.471 3.276 10 0 EGAERP COc1ccc2oc(C[NH2+][C@H]3CCO[C@H](c4cncn4C)C3)cc2c1 ZINC000275498250 456276078 /nfs/dbraw/zinc/27/60/78/456276078.db2.gz JMJKRAGJQOFCJT-LIRRHRJNSA-N 2 0 341.411 3.185 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)CCOCC)CC1 ZINC000352840209 456354472 /nfs/dbraw/zinc/35/44/72/456354472.db2.gz UFGDXSJXGPUYGB-UHFFFAOYSA-N 2 0 333.520 3.077 10 0 EGAERP Brc1cccc2c(N3CC[NH+]4CCC3CC4)ccnc12 ZINC000302786924 456399427 /nfs/dbraw/zinc/39/94/27/456399427.db2.gz WKSIMMZIGREWHE-UHFFFAOYSA-N 2 0 332.245 3.282 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000340377047 456423933 /nfs/dbraw/zinc/42/39/33/456423933.db2.gz JSZPIFHXAKWIOA-PZJWPPBQSA-N 2 0 345.531 3.450 10 0 EGAERP CO[C@H](C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C1CCCCC1 ZINC000657781781 462262908 /nfs/dbraw/zinc/26/29/08/462262908.db2.gz IDNNLEGXLZTJKT-LJQANCHMSA-N 2 0 328.460 3.261 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496606 456531506 /nfs/dbraw/zinc/53/15/06/456531506.db2.gz RLPLHERXDRBMFD-HNAYVOBHSA-N 2 0 342.487 3.089 10 0 EGAERP CCC1(CNC(=O)C[N@H+](C)C(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000338269425 456741325 /nfs/dbraw/zinc/74/13/25/456741325.db2.gz SYOGDWJWBSPTNN-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@H](c1ccccc1)N(C)C ZINC000349601169 456993904 /nfs/dbraw/zinc/99/39/04/456993904.db2.gz RQPMAWCZUXDQFI-LAUBAEHRSA-N 2 0 349.482 3.357 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@H]1CCCO1 ZINC000356516933 457031552 /nfs/dbraw/zinc/03/15/52/457031552.db2.gz BSROEFGLDWXNKF-RTBURBONSA-N 2 0 338.455 3.109 10 0 EGAERP CCc1cccc(F)c1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000354181819 457115116 /nfs/dbraw/zinc/11/51/16/457115116.db2.gz NOBCBUOHXPSRFG-UHFFFAOYSA-N 2 0 333.495 3.036 10 0 EGAERP CCSCC[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000354207891 457131235 /nfs/dbraw/zinc/13/12/35/457131235.db2.gz NLKGLMTUKOSZSA-IBGZPJMESA-N 2 0 348.556 3.258 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000351849362 457320232 /nfs/dbraw/zinc/32/02/32/457320232.db2.gz PNIPVHLJHPJBIK-ZSYWTGECSA-N 2 0 335.536 3.115 10 0 EGAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000381178346 457420345 /nfs/dbraw/zinc/42/03/45/457420345.db2.gz IBGKXCFKERDYKG-FXAWDEMLSA-N 2 0 339.483 3.103 10 0 EGAERP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1F ZINC000397506214 457488766 /nfs/dbraw/zinc/48/87/66/457488766.db2.gz GDYPLBYKQTVIGZ-UHFFFAOYSA-N 2 0 342.458 3.251 10 0 EGAERP Cc1ccsc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397667962 457490388 /nfs/dbraw/zinc/49/03/88/457490388.db2.gz GTAIHRZUAHZWGG-UHFFFAOYSA-N 2 0 330.497 3.173 10 0 EGAERP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1C ZINC000397631409 457490581 /nfs/dbraw/zinc/49/05/81/457490581.db2.gz NODPJVIPBUBSCD-UHFFFAOYSA-N 2 0 338.495 3.420 10 0 EGAERP CN1CC[C@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@@H]1c1ccccc1 ZINC000411701729 457954455 /nfs/dbraw/zinc/95/44/55/457954455.db2.gz YHVFOQNOSUMKTI-FPOVZHCZSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375800881 458070290 /nfs/dbraw/zinc/07/02/90/458070290.db2.gz FNNUNNJIEDEXMO-GUDVDZBRSA-N 2 0 329.488 3.244 10 0 EGAERP CC(C)[N@@H+](Cc1ccc(C[NH+]2CCCCC2)cc1)C[C@@H]1CCC(=O)N1 ZINC000412078415 458082408 /nfs/dbraw/zinc/08/24/08/458082408.db2.gz MJHQSDMTCYTSBN-FQEVSTJZSA-N 2 0 343.515 3.162 10 0 EGAERP C[C@H]1C[C@@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000376028324 458168967 /nfs/dbraw/zinc/16/89/67/458168967.db2.gz JCWQHMXONMNKAF-RCKXYERXSA-N 2 0 327.516 3.256 10 0 EGAERP CCN(C(=O)c1coc(C[NH3+])c1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000372904904 458345597 /nfs/dbraw/zinc/34/55/97/458345597.db2.gz LGZXEKYNSJGAJR-YJBOKZPZSA-N 2 0 341.455 3.036 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)CCCc1cccnc1 ZINC000459655820 458437777 /nfs/dbraw/zinc/43/77/77/458437777.db2.gz VHIBCQIMXMXTFD-INIZCTEOSA-N 2 0 335.455 3.472 10 0 EGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc3c[nH+]cn3c2)CC1 ZINC000459660445 458439019 /nfs/dbraw/zinc/43/90/19/458439019.db2.gz OIYREZRTZBHBOW-JXFKEZNVSA-N 2 0 326.488 3.467 10 0 EGAERP Cn1ccc([C@@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)n1 ZINC000423489942 458442317 /nfs/dbraw/zinc/44/23/17/458442317.db2.gz XAWCCLHSFUXMDC-AEFFLSMTSA-N 2 0 332.879 3.285 10 0 EGAERP Cc1cc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(C)c1F ZINC000423511063 458447029 /nfs/dbraw/zinc/44/70/29/458447029.db2.gz NCIAZWKDILQPLM-IVMQYODDSA-N 2 0 333.495 3.310 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc(C)c1F ZINC000423511058 458447607 /nfs/dbraw/zinc/44/76/07/458447607.db2.gz NCIAZWKDILQPLM-IPJUCJBFSA-N 2 0 333.495 3.310 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465514 458500276 /nfs/dbraw/zinc/50/02/76/458500276.db2.gz LJIIKHYRKCUUSO-GJHJYOIJSA-N 2 0 327.516 3.428 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465518 458500421 /nfs/dbraw/zinc/50/04/21/458500421.db2.gz LJIIKHYRKCUUSO-IDGBJLRDSA-N 2 0 327.516 3.428 10 0 EGAERP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373492258 458508507 /nfs/dbraw/zinc/50/85/07/458508507.db2.gz COEOTHBRFUDSHR-NNGSBXSVSA-N 2 0 333.451 3.149 10 0 EGAERP C[C@H](NC1CC([NH+]2CCCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000373519533 458517239 /nfs/dbraw/zinc/51/72/39/458517239.db2.gz GCUAWHDPCXLDGH-KKXNLOMOSA-N 2 0 345.531 3.295 10 0 EGAERP COCCOc1ccc([C@@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000373522380 458517629 /nfs/dbraw/zinc/51/76/29/458517629.db2.gz NAOWTHJCTTXMKD-IPJUCJBFSA-N 2 0 332.488 3.379 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424359119 458624829 /nfs/dbraw/zinc/62/48/29/458624829.db2.gz XZXRWRWNJYNZPE-MJCUULBUSA-N 2 0 328.500 3.302 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@@H]3CCOC3)C2)cc1 ZINC000462793065 458655389 /nfs/dbraw/zinc/65/53/89/458655389.db2.gz PUNXVCGYQWBSQT-VAMGGRTRSA-N 2 0 346.515 3.312 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C2CCCC2)cc1 ZINC000530025701 458657104 /nfs/dbraw/zinc/65/71/04/458657104.db2.gz FUHKANPSWIWOKA-HXUWFJFHSA-N 2 0 343.515 3.275 10 0 EGAERP C[C@H](NCC[N@@H+]1CCCC[C@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000547504388 458751925 /nfs/dbraw/zinc/75/19/25/458751925.db2.gz FGJVAAAWEDTFIU-DYXWJJEUSA-N 2 0 329.532 3.361 10 0 EGAERP CN(CCC(=O)N(C)C(C)(C)C[NH+]1CCCCCC1)c1cc[nH+]cc1 ZINC000547664266 458770378 /nfs/dbraw/zinc/77/03/78/458770378.db2.gz BLWVVKVRVLNQAI-UHFFFAOYSA-N 2 0 346.519 3.021 10 0 EGAERP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)[NH+](C)C)cc1 ZINC000556259903 458943710 /nfs/dbraw/zinc/94/37/10/458943710.db2.gz GBAHJJBTJNWRLH-NMLBUPMWSA-N 2 0 347.572 3.474 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC(F)F ZINC000556864183 459024437 /nfs/dbraw/zinc/02/44/37/459024437.db2.gz CZASYIZCFXBYKZ-KFWWJZLASA-N 2 0 340.414 3.259 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@@H]21)C1CC1 ZINC000556890676 459028653 /nfs/dbraw/zinc/02/86/53/459028653.db2.gz VCZZXIGKBOMGEK-YUMYIRISSA-N 2 0 341.543 3.359 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]([NH+](C)C)C1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496123152 459074409 /nfs/dbraw/zinc/07/44/09/459074409.db2.gz NTMXRFYHIMMZEL-MWDXBVQZSA-N 2 0 339.524 3.094 10 0 EGAERP C[NH+](C)[C@H]1CCOc2c(NC3CC[NH+](CC4CC4)CC3)cccc21 ZINC000567551715 459122360 /nfs/dbraw/zinc/12/23/60/459122360.db2.gz IGPNCDOUZCUZSA-IBGZPJMESA-N 2 0 329.488 3.358 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)Cc2ccc3ccccc3c2)CC1 ZINC000567682374 459143285 /nfs/dbraw/zinc/14/32/85/459143285.db2.gz OYWVIENXHBFKKG-JOCHJYFZSA-N 2 0 340.511 3.455 10 0 EGAERP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)OCCc2ccccc21 ZINC000558509295 459169537 /nfs/dbraw/zinc/16/95/37/459169537.db2.gz MDOOFCKBFUQOJI-OYNPSCLESA-N 2 0 328.500 3.327 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCC[C@H]1C ZINC000480624220 459209928 /nfs/dbraw/zinc/20/99/28/459209928.db2.gz JGFMCLQPEAZPRN-SBHAEUEKSA-N 2 0 329.532 3.361 10 0 EGAERP c1ccc2c(c1)CCN2C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051382 459215117 /nfs/dbraw/zinc/21/51/17/459215117.db2.gz HTPQLPUUIONYFM-UHFFFAOYSA-N 2 0 347.506 3.359 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000595021338 459218564 /nfs/dbraw/zinc/21/85/64/459218564.db2.gz CFJVAGGUTVCPHD-SJORKVTESA-N 2 0 326.525 3.312 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625484 459232523 /nfs/dbraw/zinc/23/25/23/459232523.db2.gz ZIALZMRKCWNGKB-LSDHHAIUSA-N 2 0 343.393 3.400 10 0 EGAERP C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000481325073 459244629 /nfs/dbraw/zinc/24/46/29/459244629.db2.gz SKUPPPFYJGWPMN-SBHAEUEKSA-N 2 0 329.532 3.219 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481721314 459271050 /nfs/dbraw/zinc/27/10/50/459271050.db2.gz VRCQUXOIRXUOIL-WWGRRREGSA-N 2 0 325.294 3.310 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+](C)C1CCCC1 ZINC000482557417 459313566 /nfs/dbraw/zinc/31/35/66/459313566.db2.gz KUFYUQYGMSVEAY-NQIIRXRSSA-N 2 0 329.532 3.361 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1C ZINC000540746733 459383538 /nfs/dbraw/zinc/38/35/38/459383538.db2.gz ADIHMIUWARDYGC-HKUYNNGSSA-N 2 0 333.520 3.047 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c(C)c1 ZINC000540744426 459383851 /nfs/dbraw/zinc/38/38/51/459383851.db2.gz JQXLWMOZYFJRMP-MJGOQNOKSA-N 2 0 333.520 3.047 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542471058 459560458 /nfs/dbraw/zinc/56/04/58/459560458.db2.gz PDTCSFOXDGNOQQ-FQEVSTJZSA-N 2 0 342.462 3.417 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000499153744 459623769 /nfs/dbraw/zinc/62/37/69/459623769.db2.gz SSMIYWRHJUMVTO-UKAVVXHISA-N 2 0 325.500 3.008 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cc(OCC)c(OC)cc2F)CC1 ZINC000527653428 459684980 /nfs/dbraw/zinc/68/49/80/459684980.db2.gz KFSATKOESURRIP-UHFFFAOYSA-N 2 0 338.467 3.445 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@@H](O)C(F)(F)F)C1 ZINC000562984403 459686204 /nfs/dbraw/zinc/68/62/04/459686204.db2.gz HFUBGYNQGPIXDS-JKIFEVAISA-N 2 0 344.421 3.177 10 0 EGAERP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C1CC1 ZINC000563119695 459718500 /nfs/dbraw/zinc/71/85/00/459718500.db2.gz FQWGTCULDBBMPT-IEBWSBKVSA-N 2 0 327.516 3.256 10 0 EGAERP Cn1cc(-c2ccc(C[NH2+]C[C@@H]3CCN3C3CCCC3)s2)cn1 ZINC000527806749 459743733 /nfs/dbraw/zinc/74/37/33/459743733.db2.gz FHYKTPWZWAAIED-INIZCTEOSA-N 2 0 330.501 3.255 10 0 EGAERP C[S@](=O)C1(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779649 459801028 /nfs/dbraw/zinc/80/10/28/459801028.db2.gz HOKPWGSUKBAWSW-UUOWRZLLSA-N 2 0 346.540 3.074 10 0 EGAERP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@@H]1CCCC[N@H+](C)C1 ZINC000599070617 460150921 /nfs/dbraw/zinc/15/09/21/460150921.db2.gz MAWFCQVDZOBRJQ-IRXDYDNUSA-N 2 0 326.525 3.456 10 0 EGAERP F[C@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)[C@H]1CC[NH2+]C1 ZINC000634553717 460417401 /nfs/dbraw/zinc/41/74/01/460417401.db2.gz FRTSNFISVQFZLA-IRXDYDNUSA-N 2 0 344.434 3.343 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](c2ccc(O)cc2)C1 ZINC000628480724 460434359 /nfs/dbraw/zinc/43/43/59/460434359.db2.gz AEZUANGKZXLUGH-KRWDZBQOSA-N 2 0 334.423 3.271 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)c(SC)cc1OC ZINC000634732425 460497365 /nfs/dbraw/zinc/49/73/65/460497365.db2.gz GKPGFZCDYHGXJT-CQSZACIVSA-N 2 0 338.517 3.294 10 0 EGAERP CC[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347944 460502558 /nfs/dbraw/zinc/50/25/58/460502558.db2.gz MOYQGRSRMUQEQX-VQTJNVASSA-N 2 0 329.532 3.286 10 0 EGAERP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000623359059 460509640 /nfs/dbraw/zinc/50/96/40/460509640.db2.gz BIJOSGOZCUCVTC-KDOFPFPSSA-N 2 0 344.503 3.494 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623392956 460524375 /nfs/dbraw/zinc/52/43/75/460524375.db2.gz UTIODSHAAMWGMA-CQSZACIVSA-N 2 0 337.895 3.439 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](CNc2nccc(N3Cc4ccccc4C3)n2)C1 ZINC000623901940 460768706 /nfs/dbraw/zinc/76/87/06/460768706.db2.gz XQWRFUIOTCQJCF-INIZCTEOSA-N 2 0 337.471 3.139 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519926 460792237 /nfs/dbraw/zinc/79/22/37/460792237.db2.gz SGMPNFVURUMUPW-LVCYWYKZSA-N 2 0 349.478 3.243 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1sc(-c2ccccc2F)nc1C ZINC000629529315 460798299 /nfs/dbraw/zinc/79/82/99/460798299.db2.gz ZGMCRPHOVSJYIK-GFCCVEGCSA-N 2 0 337.464 3.144 10 0 EGAERP C[C@@H]1C[C@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)CC[NH2+]1 ZINC000629671947 460859971 /nfs/dbraw/zinc/85/99/71/460859971.db2.gz KRNPDCFBGSLKTD-VXGBXAGGSA-N 2 0 341.268 3.334 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624224101 460917549 /nfs/dbraw/zinc/91/75/49/460917549.db2.gz MNWSWKRMVOSBBF-TYCQWZJGSA-N 2 0 328.500 3.239 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000636122017 461046974 /nfs/dbraw/zinc/04/69/74/461046974.db2.gz ARDFAFKJVZNHLP-INIZCTEOSA-N 2 0 347.528 3.155 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)C[C@@H]2CCc3ccccc32)CC1 ZINC000662196591 461108734 /nfs/dbraw/zinc/10/87/34/461108734.db2.gz NEVBWXWOQYIZPS-FQEVSTJZSA-N 2 0 329.532 3.064 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000655164946 461109313 /nfs/dbraw/zinc/10/93/13/461109313.db2.gz LTGPVTCZMSXNEE-INIZCTEOSA-N 2 0 347.528 3.155 10 0 EGAERP C[C@H]1C[C@H]1c1noc(CC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000652353130 461146673 /nfs/dbraw/zinc/14/66/73/461146673.db2.gz FRMIXHKEGKSIOM-MAUKXSAKSA-N 2 0 346.519 3.227 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2cccc3c2CC[NH2+]C3)C1 ZINC000662260136 461147263 /nfs/dbraw/zinc/14/72/63/461147263.db2.gz IJUNPEOEBBLZFP-MOPGFXCFSA-N 2 0 341.543 3.419 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)N1CCC2(C1)CC[NH+](C)CC2)c1ccccc1 ZINC000646250117 461150696 /nfs/dbraw/zinc/15/06/96/461150696.db2.gz DOGUYXJUDSFLBA-LJQANCHMSA-N 2 0 343.515 3.014 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2ccc(Cl)cc2)C1 ZINC000652361197 461155121 /nfs/dbraw/zinc/15/51/21/461155121.db2.gz ZLWUHPNUHPUGSK-KBAYOESNSA-N 2 0 338.879 3.080 10 0 EGAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662270847 461158416 /nfs/dbraw/zinc/15/84/16/461158416.db2.gz PVQWSXLYDSSHJS-RCCFBDPRSA-N 2 0 338.442 3.083 10 0 EGAERP CC(C)N(C(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662294111 461173285 /nfs/dbraw/zinc/17/32/85/461173285.db2.gz JALNAOYWRBTVIU-IBGZPJMESA-N 2 0 343.515 3.140 10 0 EGAERP CC(C)[NH+](CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C(C)C ZINC000662484484 461264160 /nfs/dbraw/zinc/26/41/60/461264160.db2.gz AZJRYRRFHUDOIF-IBGZPJMESA-N 2 0 345.531 3.304 10 0 EGAERP C[C@@H](CNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000659292981 461278929 /nfs/dbraw/zinc/27/89/29/461278929.db2.gz SZVTVQFFBLQCBU-JTDSTZFVSA-N 2 0 343.515 3.058 10 0 EGAERP C[C@H](CCc1ccc(O)cc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000668441636 461282958 /nfs/dbraw/zinc/28/29/58/461282958.db2.gz WVUNMYVWVPNAIC-QGZVFWFLSA-N 2 0 346.515 3.194 10 0 EGAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000659321520 461292528 /nfs/dbraw/zinc/29/25/28/461292528.db2.gz WBARLCMZVWXERQ-OAQYLSRUSA-N 2 0 349.478 3.498 10 0 EGAERP CC(C)c1ccc([C@@H]([NH3+])CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000646694124 461373123 /nfs/dbraw/zinc/37/31/23/461373123.db2.gz ZHTKOXZVHDIFMY-OALUTQOASA-N 2 0 331.504 3.191 10 0 EGAERP COc1ccc2cc(C[N@@H+]3CCO[C@@H](CCC[NH+](C)C)C3)ccc2c1 ZINC000668786264 461436158 /nfs/dbraw/zinc/43/61/58/461436158.db2.gz XUQTXYPPBBVPTB-NRFANRHFSA-N 2 0 342.483 3.391 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CCN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000659863293 461465064 /nfs/dbraw/zinc/46/50/64/461465064.db2.gz HPOILARRUWELBD-FMWKFLBASA-N 2 0 327.516 3.033 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000655806029 461466289 /nfs/dbraw/zinc/46/62/89/461466289.db2.gz XDKYXLROMFKKRH-QMCAAQAGSA-N 3 0 341.543 3.217 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCC2(CCCC2)O1 ZINC000655863848 461510563 /nfs/dbraw/zinc/51/05/63/461510563.db2.gz QPCGXELSPRKJBP-GOSISDBHSA-N 2 0 326.444 3.157 10 0 EGAERP CC[N@H+](C[C@H](OC)C1CCC1)CC1CCN(c2ccccn2)CC1 ZINC000659973372 461524378 /nfs/dbraw/zinc/52/43/78/461524378.db2.gz PJDZMNLWRJNUEL-IBGZPJMESA-N 2 0 331.504 3.435 10 0 EGAERP CC[N@H+](CCO[C@@H]1CC1(F)F)CC1CCN(c2ccccn2)CC1 ZINC000659973846 461525319 /nfs/dbraw/zinc/52/53/19/461525319.db2.gz VODAQSDVIKNHRC-MRXNPFEDSA-N 2 0 339.430 3.044 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000660006475 461542083 /nfs/dbraw/zinc/54/20/83/461542083.db2.gz OIJSCXVYPYVNBN-WBVHZDCISA-N 2 0 330.463 3.387 10 0 EGAERP Cc1ccc(-c2nn(C)cc2C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)o1 ZINC000647188281 461552320 /nfs/dbraw/zinc/55/23/20/461552320.db2.gz ZZXDLUWWXZYILF-ALOPSCKCSA-N 2 0 328.460 3.093 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]C[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344240 461571623 /nfs/dbraw/zinc/57/16/23/461571623.db2.gz PYVVFVODFOTRJB-SFHVURJKSA-N 2 0 338.499 3.299 10 0 EGAERP CN(c1ccccc1C[NH2+][C@@H]1CC[C@H]2C[C@H]2C1)C1CC[NH+](C)CC1 ZINC000647256626 461593031 /nfs/dbraw/zinc/59/30/31/461593031.db2.gz ZZIFRHCVBJLRBP-YTQUADARSA-N 2 0 327.516 3.495 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@H](OC)[C@H]2CCOC2)CC1)CC(C)C ZINC000660172310 461619186 /nfs/dbraw/zinc/61/91/86/461619186.db2.gz PKJRIVKKJIZAMH-PMACEKPBSA-N 2 0 340.552 3.118 10 0 EGAERP COc1cc2cc[nH+]c(N(C)C[C@H]3CCC[N@H+](C)C3)c2cc1OC ZINC000663614147 461726282 /nfs/dbraw/zinc/72/62/82/461726282.db2.gz NUYJJGPQBXMFLI-AWEZNQCLSA-N 2 0 329.444 3.030 10 0 EGAERP COc1cc2cc[nH+]c(N3CC[C@H](C[NH+]4CCCC4)C3)c2cc1OC ZINC000663646828 461732340 /nfs/dbraw/zinc/73/23/40/461732340.db2.gz HJTDPHGBPQRDNX-OAHLLOKOSA-N 2 0 341.455 3.174 10 0 EGAERP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000647789774 461835608 /nfs/dbraw/zinc/83/56/08/461835608.db2.gz LGRZXXQIKZVBLN-DEKYYXRVSA-N 2 0 327.255 3.405 10 0 EGAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2cc(C(C)C)ccc2OC)CC1 ZINC000653755087 461841698 /nfs/dbraw/zinc/84/16/98/461841698.db2.gz JENOSIZIKLGRGU-UHFFFAOYSA-N 2 0 347.547 3.324 10 0 EGAERP Cn1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(-c2ccccc2)n1 ZINC000656781940 461892263 /nfs/dbraw/zinc/89/22/63/461892263.db2.gz AKGWLUGEDAYUJJ-IBGZPJMESA-N 2 0 338.499 3.299 10 0 EGAERP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656782664 461892860 /nfs/dbraw/zinc/89/28/60/461892860.db2.gz IFJNJXBBUYLUHN-LJQANCHMSA-N 2 0 338.499 3.392 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CCc1ccc(OC)c(O)c1 ZINC000650720196 461913091 /nfs/dbraw/zinc/91/30/91/461913091.db2.gz HRTOZRXDUPHFIG-OAHLLOKOSA-N 2 0 328.456 3.231 10 0 EGAERP COc1ccc([C@@H](NCCC[N@H+](C)CC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000650739916 461928546 /nfs/dbraw/zinc/92/85/46/461928546.db2.gz BNCYDXMQPPSXDN-VQTJNVASSA-N 2 0 333.520 3.056 10 0 EGAERP C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000650750821 461932701 /nfs/dbraw/zinc/93/27/01/461932701.db2.gz LPGZMLVDSGJAME-LPHOPBHVSA-N 2 0 339.483 3.314 10 0 EGAERP C[C@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000650750822 461933945 /nfs/dbraw/zinc/93/39/45/461933945.db2.gz LPGZMLVDSGJAME-QFBILLFUSA-N 2 0 339.483 3.314 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cc(OC)c(OC)cc1F ZINC000650758078 461939288 /nfs/dbraw/zinc/93/92/88/461939288.db2.gz IETWLKDKPJOSCY-CYBMUJFWSA-N 2 0 332.419 3.413 10 0 EGAERP c1cc(C[NH2+]Cc2cccc(C[NH+]3CCCC3)c2)n(-c2cc[nH+]cc2)n1 ZINC000657299993 462028448 /nfs/dbraw/zinc/02/84/48/462028448.db2.gz FHOSYARIVGDHIQ-UHFFFAOYSA-N 3 0 347.466 3.153 10 0 EGAERP CC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Oc1cccc(F)c1 ZINC000657392504 462093423 /nfs/dbraw/zinc/09/34/23/462093423.db2.gz XKUBAIVLUKPIQA-GOSISDBHSA-N 2 0 340.402 3.354 10 0 EGAERP COC[C@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000661154758 462126334 /nfs/dbraw/zinc/12/63/34/462126334.db2.gz OHGMQISOXZFEFX-NRFANRHFSA-N 2 0 346.515 3.204 10 0 EGAERP Fc1ccc(/C=C\C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657534599 462170372 /nfs/dbraw/zinc/17/03/72/462170372.db2.gz BDTTXVYJIREBJM-UPHRSURJSA-N 2 0 332.463 3.320 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4ncccc4c3)cc2)C1 ZINC000657593708 462195651 /nfs/dbraw/zinc/19/56/51/462195651.db2.gz CBVNTNCCMARWPJ-OAQYLSRUSA-N 2 0 347.462 3.091 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4cccnc43)cc2)C1 ZINC000657596832 462196398 /nfs/dbraw/zinc/19/63/98/462196398.db2.gz ZMTBOUXIKZLQAG-NRFANRHFSA-N 2 0 347.462 3.091 10 0 EGAERP C[C@H](CO)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836979 462210070 /nfs/dbraw/zinc/21/00/70/462210070.db2.gz YLGFSEUAQGNKIR-FXAWDEMLSA-N 2 0 330.516 3.237 10 0 EGAERP Cn1ncc(C2CCC2)c1CN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708807 462225882 /nfs/dbraw/zinc/22/58/82/462225882.db2.gz LKROGRPOVBEDQJ-APWZRJJASA-N 2 0 328.504 3.136 10 0 EGAERP Cc1nn(C)cc1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657772310 462259218 /nfs/dbraw/zinc/25/92/18/462259218.db2.gz LQLNDRCQHHORFZ-HXUWFJFHSA-N 2 0 338.499 3.120 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000657784814 462264891 /nfs/dbraw/zinc/26/48/91/462264891.db2.gz FYEJMIVVFCAPPF-IBGZPJMESA-N 2 0 345.531 3.123 10 0 EGAERP c1cc(C[N@H+]2CC[C@H](COc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667959823 462348036 /nfs/dbraw/zinc/34/80/36/462348036.db2.gz YSGSQMVRJLWWGU-KRWDZBQOSA-N 2 0 334.423 3.168 10 0 EGAERP COC[C@H](CC(C)(C)C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000651831829 462352236 /nfs/dbraw/zinc/35/22/36/462352236.db2.gz JRBHZJKCBVXKLP-IBGZPJMESA-N 2 0 348.531 3.054 10 0 EGAERP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277269 462382034 /nfs/dbraw/zinc/38/20/34/462382034.db2.gz XWUWDBWZBWHBRH-NRSPTQNISA-N 2 0 341.543 3.409 10 0 EGAERP CC1(C)CN(Cc2ccnn2-c2cc[nH+]cc2)CC2(CCCC2)O1 ZINC000668035180 462383781 /nfs/dbraw/zinc/38/37/81/462383781.db2.gz DWPSNNKFDFKDIS-UHFFFAOYSA-N 2 0 326.444 3.191 10 0 EGAERP CCCC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000665287133 462385806 /nfs/dbraw/zinc/38/58/06/462385806.db2.gz CHRCMISDEPBJKI-HXUWFJFHSA-N 2 0 345.531 3.498 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000665287644 462386474 /nfs/dbraw/zinc/38/64/74/462386474.db2.gz QRURXBRTASYLRH-LPHOPBHVSA-N 2 0 343.515 3.124 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H](C4CC4)C3)cc2)C1 ZINC000658135655 462399535 /nfs/dbraw/zinc/39/95/35/462399535.db2.gz AGKZVUHYXYFIII-NJDAHSKKSA-N 2 0 328.500 3.312 10 0 EGAERP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137398 462400908 /nfs/dbraw/zinc/40/09/08/462400908.db2.gz KRSRCVSQJJVPAO-YRPNKDGESA-N 2 0 328.500 3.168 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)o1 ZINC000658137615 462401653 /nfs/dbraw/zinc/40/16/53/462401653.db2.gz KNTQILKJNJGPSS-KXBFYZLASA-N 2 0 328.456 3.314 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(Cl)cn1 ZINC000658138862 462402609 /nfs/dbraw/zinc/40/26/09/462402609.db2.gz OQDGDCQCJSSKSH-KDOFPFPSSA-N 2 0 345.874 3.152 10 0 EGAERP [NH3+][C@@H](CCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)CC1CCCCC1 ZINC000645889425 462458050 /nfs/dbraw/zinc/45/80/50/462458050.db2.gz IPIIZHRGUCEGTI-INIZCTEOSA-N 2 0 341.459 3.284 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318300 462475394 /nfs/dbraw/zinc/47/53/94/462475394.db2.gz OVACSVFHFWVRMG-MJGOQNOKSA-N 2 0 338.499 3.373 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319438 462475460 /nfs/dbraw/zinc/47/54/60/462475460.db2.gz AVNIYSHWDUPZND-YLJYHZDGSA-N 2 0 338.499 3.373 10 0 EGAERP C[C@@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274824 462495559 /nfs/dbraw/zinc/49/55/59/462495559.db2.gz WUSLMVGGZSNBFJ-VQIMIIECSA-N 2 0 326.488 3.024 10 0 EGAERP Cc1cccc(C2([NH2+]CCCN3CC[NH+](C(C)C)CC3)CCC2)c1 ZINC000646022469 462499365 /nfs/dbraw/zinc/49/93/65/462499365.db2.gz HIDMCPCCFIYMFS-UHFFFAOYSA-N 2 0 329.532 3.380 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000166422780 527744908 /nfs/dbraw/zinc/74/49/08/527744908.db2.gz HFSOOQROPJCDER-ZDUSSCGKSA-N 2 0 348.288 3.429 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370116 535497217 /nfs/dbraw/zinc/49/72/17/535497217.db2.gz ZWDIFRLGWNRYEX-ZWKOTPCHSA-N 2 0 326.525 3.059 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000265993635 535598808 /nfs/dbraw/zinc/59/88/08/535598808.db2.gz NCNAPAWLRYJWQP-VQIMIIECSA-N 2 0 331.504 3.083 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000265993633 535599550 /nfs/dbraw/zinc/59/95/50/535599550.db2.gz NCNAPAWLRYJWQP-LPHOPBHVSA-N 2 0 331.504 3.083 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCC[C@H]5C4)[C@@H]3C2)cc1 ZINC000386526262 547824439 /nfs/dbraw/zinc/82/44/39/547824439.db2.gz OKGKJQUTGUZBNO-PPGORRQASA-N 2 0 339.527 3.113 10 0 EGAERP COC1CCC(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000674237060 548708937 /nfs/dbraw/zinc/70/89/37/548708937.db2.gz BXTMUHSGHLWKLC-UHFFFAOYSA-N 2 0 346.515 3.456 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871239 548995825 /nfs/dbraw/zinc/99/58/25/548995825.db2.gz CGNNWRWZXKQJPM-GOEBONIOSA-N 2 0 333.545 3.056 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](Cc3ccncc3)C2)cc1 ZINC000680001917 549805038 /nfs/dbraw/zinc/80/50/38/549805038.db2.gz PJKJGKIDJIJFSA-HXUWFJFHSA-N 2 0 339.483 3.087 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@H](Cc2ccncc2)C1 ZINC000680335505 549851073 /nfs/dbraw/zinc/85/10/73/549851073.db2.gz UJCPJBXUCJXOSF-GOSISDBHSA-N 2 0 333.439 3.035 10 0 EGAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CCC[NH+]1CCCCC1 ZINC000682028771 550064127 /nfs/dbraw/zinc/06/41/27/550064127.db2.gz BAVDTUDAQRMEJH-FQEVSTJZSA-N 2 0 329.532 3.459 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@@H](C)[C@@H](C)O1 ZINC000682169095 550081466 /nfs/dbraw/zinc/08/14/66/550081466.db2.gz NUFPSBMSZIFPHW-FGTMMUONSA-N 2 0 332.488 3.159 10 0 EGAERP CO[C@@H]1CCC[C@@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000684378038 550322087 /nfs/dbraw/zinc/32/20/87/550322087.db2.gz RNKJAMIWMLLFPH-CGTJXYLNSA-N 2 0 349.494 3.186 10 0 EGAERP CCOc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000075780780 1292411133 /nfs/dbraw/zinc/41/11/33/1292411133.db2.gz FTCPTWRVWLHJRY-AWEZNQCLSA-N 2 0 340.414 3.261 10 0 EGAERP C[NH2+]C1CCC([N@H+](C)Cc2cc(OC)ccc2Br)CC1 ZINC000091873227 1292845048 /nfs/dbraw/zinc/84/50/48/1292845048.db2.gz YDBMICVWFJFESS-UHFFFAOYSA-N 2 0 341.293 3.420 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Cl)c3cccnc23)CC1 ZINC000130474825 1293658714 /nfs/dbraw/zinc/65/87/14/1293658714.db2.gz AYNIXTXZPPECPL-UHFFFAOYSA-N 2 0 346.906 3.004 10 0 EGAERP c1ccc2c(c1)CCCC[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000872040505 1296689465 /nfs/dbraw/zinc/68/94/65/1296689465.db2.gz ZLRUCPMQQZGTMS-XMSQKQJNSA-N 2 0 342.527 3.415 10 0 EGAERP C[N@H+](CCCCCC[NH3+])Cc1cccc(C(=O)N2CCCCC2)c1 ZINC000872155068 1296771356 /nfs/dbraw/zinc/77/13/56/1296771356.db2.gz BIEMIWSMSRSEBZ-UHFFFAOYSA-N 2 0 331.504 3.264 10 0 EGAERP C[C@@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872155594 1296772764 /nfs/dbraw/zinc/77/27/64/1296772764.db2.gz SATQOXSABQNRJI-KRWDZBQOSA-N 2 0 346.519 3.065 10 0 EGAERP [NH3+][C@@H](C[C@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1)C1CCCC1 ZINC000872156193 1296775001 /nfs/dbraw/zinc/77/50/01/1296775001.db2.gz GCQLXPOTCPNKCH-APWZRJJASA-N 2 0 335.536 3.055 10 0 EGAERP CN(C(=O)OC(C)(C)C)C1CCC([NH2+][C@H]2CCC[N@H+](C)CC2)CC1 ZINC000310051373 1297086388 /nfs/dbraw/zinc/08/63/88/1297086388.db2.gz JHTGEOPPJDMEFV-GTPINHCMSA-N 2 0 339.524 3.238 10 0 EGAERP CC[NH+]1CCC([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000378881342 1297523491 /nfs/dbraw/zinc/52/34/91/1297523491.db2.gz GWZTVBSUPRXQFY-SFHVURJKSA-N 2 0 347.503 3.326 10 0 EGAERP CN(C[C@@H]1Cc2ccccc2C[NH2+]1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388261665 1297600433 /nfs/dbraw/zinc/60/04/33/1297600433.db2.gz BCBMTPZTSVULJK-XZOQPEGZSA-N 2 0 349.522 3.297 10 0 EGAERP [NH3+]CCCCCCCC(=O)NC[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000403734978 1297746935 /nfs/dbraw/zinc/74/69/35/1297746935.db2.gz QNFGFFHPUGNCQM-FQEVSTJZSA-N 2 0 345.531 3.314 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CC[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000715277584 1298279514 /nfs/dbraw/zinc/27/95/14/1298279514.db2.gz NCBKXTKVBKLIBJ-OFLPRAFFSA-N 2 0 339.524 3.238 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550660 1298279802 /nfs/dbraw/zinc/27/98/02/1298279802.db2.gz CIUUUOITUJHYHX-WCXIOVBPSA-N 2 0 339.524 3.237 10 0 EGAERP CC[C@H]([NH2+]C1CCC([NH+](C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716114499 1298293401 /nfs/dbraw/zinc/29/34/01/1298293401.db2.gz KILLXASYLVXQTJ-JCYILVPMSA-N 2 0 339.524 3.094 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](C[NH2+]Cc3cccc4c3CCOC4)C2)cc1 ZINC000883106710 1302252115 /nfs/dbraw/zinc/25/21/15/1302252115.db2.gz BUNWQGCBYCZFLO-IBGZPJMESA-N 2 0 336.479 3.371 10 0 EGAERP CCOC(CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)OCC ZINC000886597011 1303517386 /nfs/dbraw/zinc/51/73/86/1303517386.db2.gz UBSKHQFSATZCON-ZCNNSNEGSA-N 2 0 346.515 3.418 10 0 EGAERP CC[C@H]([NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@H](O)C(C)C ZINC000886627323 1303531082 /nfs/dbraw/zinc/53/10/82/1303531082.db2.gz YYWYYLHOBRENFK-UQVNRYHBSA-N 2 0 330.516 3.425 10 0 EGAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC[C@@H]4CCOC4)C[C@H]3C2)cc1 ZINC000886647856 1303538923 /nfs/dbraw/zinc/53/89/23/1303538923.db2.gz DUCVBRMDPMNTDZ-HKBOAZHASA-N 2 0 328.500 3.257 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@@]2(C)C[NH+]3CCC2CC3)cc1)C(C)C ZINC000892785148 1305551735 /nfs/dbraw/zinc/55/17/35/1305551735.db2.gz MRORCGSKNNTCDB-NRFANRHFSA-N 2 0 343.515 3.131 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894180821 1306265248 /nfs/dbraw/zinc/26/52/48/1306265248.db2.gz RDPVHXUIAAMVAH-INIZCTEOSA-N 2 0 339.524 3.098 10 0 EGAERP Cc1coc(C[NH+]2CC[C@H](Oc3ccnc(C[N@@H+](C)C(C)C)c3)C2)c1 ZINC000895375113 1309305005 /nfs/dbraw/zinc/30/50/05/1309305005.db2.gz XKIZVIPTZJKWKE-IBGZPJMESA-N 2 0 343.471 3.477 10 0 EGAERP Cc1ccc(C2=NO[C@@H](CN[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc1C ZINC000895501642 1309376741 /nfs/dbraw/zinc/37/67/41/1309376741.db2.gz INXJYOHNIXXDQO-ZWKOTPCHSA-N 2 0 329.488 3.259 10 0 EGAERP c1cc(CC[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n(-c2ccccc2)n1 ZINC000896277242 1309782474 /nfs/dbraw/zinc/78/24/74/1309782474.db2.gz VVOBDTAEHBAHCW-UHFFFAOYSA-N 2 0 347.466 3.068 10 0 EGAERP C[N@H+](CCN1CC[NH+](CCCC(C)(F)F)CC1)Cc1ccccc1 ZINC000929607222 1328645378 /nfs/dbraw/zinc/64/53/78/1328645378.db2.gz WXTGOMXCTNXIKZ-UHFFFAOYSA-N 2 0 339.474 3.171 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+](Cc3ccccc3CF)CC2)CC1 ZINC000930044693 1328771908 /nfs/dbraw/zinc/77/19/08/1328771908.db2.gz IGPIALOYSMGJAR-UHFFFAOYSA-N 2 0 333.495 3.147 10 0 EGAERP C[N@H+](CCC[NH+]1CCCC1)C[C@@H]1CC[C@H](NC(=O)OC(C)(C)C)C1 ZINC000930310669 1328831348 /nfs/dbraw/zinc/83/13/48/1328831348.db2.gz LLPDJKRQYBMGOF-SJORKVTESA-N 2 0 339.524 3.098 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2nccc3c2CCCC3)cc1 ZINC000921548475 1322349208 /nfs/dbraw/zinc/34/92/08/1322349208.db2.gz WNVXDAGYMWCOEL-UHFFFAOYSA-N 2 0 339.483 3.191 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+][C@H](C)CN2CC[NH+](C)CC2)c1Cl ZINC000921705322 1322380936 /nfs/dbraw/zinc/38/09/36/1322380936.db2.gz SRWMXWKMXQSWFR-GFCCVEGCSA-N 2 0 330.303 3.027 10 0 EGAERP Cc1cnc(Cl)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000922234879 1322484517 /nfs/dbraw/zinc/48/45/17/1322484517.db2.gz OQASCGUQWBDWDP-UHFFFAOYSA-N 2 0 337.895 3.024 10 0 EGAERP CN(C)CC[C@H]([NH2+]C[C@@H]1CCOc2ccccc21)c1cccnc1 ZINC000922629260 1322574648 /nfs/dbraw/zinc/57/46/48/1322574648.db2.gz VDOKEZAVIGYXMR-LPHOPBHVSA-N 2 0 325.456 3.230 10 0 EGAERP CCN(C[C@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)CC(F)(F)F ZINC000923328326 1322734821 /nfs/dbraw/zinc/73/48/21/1322734821.db2.gz ZAYRJRSOBOKYOQ-IFFAKLHKSA-N 2 0 347.469 3.113 10 0 EGAERP Cc1ccc(SCC[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)cc1C ZINC000923449974 1322753347 /nfs/dbraw/zinc/75/33/47/1322753347.db2.gz RQAKKEZYANHLBN-QGZVFWFLSA-N 2 0 334.529 3.225 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923496059 1322761870 /nfs/dbraw/zinc/76/18/70/1322761870.db2.gz ZKJGSZQBZWJVGS-QWHCGFSZSA-N 2 0 348.288 3.414 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccnn1C1CCC1 ZINC000924704237 1323123027 /nfs/dbraw/zinc/12/30/27/1323123027.db2.gz MYMOHSQQYCOIAN-INIZCTEOSA-N 2 0 342.487 3.399 10 0 EGAERP COc1cc([C@@H](C)[NH2+][C@@H](C)CN2CC[NH+](C)CC2)cc2ccccc21 ZINC000924994458 1323238867 /nfs/dbraw/zinc/23/88/67/1323238867.db2.gz ULUDOUFAZLCZCM-DLBZAZTESA-N 2 0 341.499 3.135 10 0 EGAERP COC/C(C)=C/C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)C/C=C(\C)COC)CC1 ZINC000931737344 1329174943 /nfs/dbraw/zinc/17/49/43/1329174943.db2.gz IPPHSEGUVGEAQT-TZBGWDGDSA-N 2 0 338.536 3.347 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000925152215 1325067287 /nfs/dbraw/zinc/06/72/87/1325067287.db2.gz QZCMCOLKSGLMPP-UYAOXDASSA-N 2 0 332.536 3.151 10 0 EGAERP CCSc1ccccc1C[C@@H](C)[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000925215502 1325083492 /nfs/dbraw/zinc/08/34/92/1325083492.db2.gz NGXXSFHZTKYLQV-QGZVFWFLSA-N 2 0 349.588 3.345 10 0 EGAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000925219609 1325084165 /nfs/dbraw/zinc/08/41/65/1325084165.db2.gz DXDYHOKVEHEHET-CTNGQTDRSA-N 2 0 348.531 3.063 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H](C3CCC3)[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000925299348 1325117811 /nfs/dbraw/zinc/11/78/11/1325117811.db2.gz BSXOVFTWPJCEPT-UYAOXDASSA-N 2 0 329.488 3.093 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@H](c2ccccn2)C2CCC2)C[C@@H](C)O1 ZINC000925440824 1325149721 /nfs/dbraw/zinc/14/97/21/1325149721.db2.gz VOQIPSMMYBXTMF-HLIPFELVSA-N 2 0 331.504 3.402 10 0 EGAERP CC[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cccc(OC)n1 ZINC000925439060 1325150448 /nfs/dbraw/zinc/15/04/48/1325150448.db2.gz HSZCADMPRIBLIW-IXDOHACOSA-N 2 0 335.492 3.020 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1OC ZINC000925482984 1325169998 /nfs/dbraw/zinc/16/99/98/1325169998.db2.gz VMDHGNURNMTXMR-RTBURBONSA-N 2 0 346.515 3.394 10 0 EGAERP COc1ccc(CCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1OC ZINC000925482979 1325170159 /nfs/dbraw/zinc/17/01/59/1325170159.db2.gz VMDHGNURNMTXMR-OALUTQOASA-N 2 0 346.515 3.394 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925495771 1325178014 /nfs/dbraw/zinc/17/80/14/1325178014.db2.gz NTSFBRYSIMUBGK-RTWAWAEBSA-N 3 0 329.532 3.396 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509937 1325183298 /nfs/dbraw/zinc/18/32/98/1325183298.db2.gz QGUWCHWIIOUEBZ-RBUKOAKNSA-N 2 0 340.515 3.493 10 0 EGAERP c1csc(C[N@H+]2CCC[C@H](CN[C@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925533604 1325195462 /nfs/dbraw/zinc/19/54/62/1325195462.db2.gz CMCFEIJHFRHTHW-AEFFLSMTSA-N 2 0 333.545 3.224 10 0 EGAERP CC1(C)[C@@H](NC[C@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534177 1325195916 /nfs/dbraw/zinc/19/59/16/1325195916.db2.gz JGVLYBBKKWAZJM-YSHGAJCASA-N 2 0 347.572 3.326 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC000925546956 1325202747 /nfs/dbraw/zinc/20/27/47/1325202747.db2.gz LSMMMYZLHWQOSY-CHWSQXEVSA-N 2 0 331.382 3.018 10 0 EGAERP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925550743 1325203874 /nfs/dbraw/zinc/20/38/74/1325203874.db2.gz OBRARMHCIQDMHT-RTWAWAEBSA-N 2 0 338.499 3.173 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000925599779 1325228193 /nfs/dbraw/zinc/22/81/93/1325228193.db2.gz UGCGKSHWUBQXBX-IAGOWNOFSA-N 2 0 327.472 3.499 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1Cl ZINC000925619067 1325232350 /nfs/dbraw/zinc/23/23/50/1325232350.db2.gz KUTCKSYXAWNYLG-PVTKRXDGSA-N 2 0 328.859 3.397 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000925622227 1325235178 /nfs/dbraw/zinc/23/51/78/1325235178.db2.gz MIUXDQPROSAYBT-MISYRCLQSA-N 3 0 327.516 3.161 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000925632012 1325239872 /nfs/dbraw/zinc/23/98/72/1325239872.db2.gz NJIDWHHDEZHBKP-OALUTQOASA-N 2 0 334.504 3.106 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C[C@@H]([NH3+])C1 ZINC000925651607 1325247620 /nfs/dbraw/zinc/24/76/20/1325247620.db2.gz HKEVPYBYBIHGIQ-XODKDNOYSA-N 2 0 348.506 3.395 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(Br)cn1 ZINC000925662302 1325253356 /nfs/dbraw/zinc/25/33/56/1325253356.db2.gz GNIOHLDBLOICAY-UHTWSYAYSA-N 2 0 326.282 3.401 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H](c2cncc(Br)c2)C2CC2)C12CCC2 ZINC000925665356 1325255258 /nfs/dbraw/zinc/25/52/58/1325255258.db2.gz DPQCJKHGQYFKDW-KFWWJZLASA-N 2 0 336.277 3.155 10 0 EGAERP CC(C)([NH3+])CC[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000925739696 1325276606 /nfs/dbraw/zinc/27/66/06/1325276606.db2.gz DEQMVSFNEYOVGQ-CYBMUJFWSA-N 2 0 327.266 3.380 10 0 EGAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000925773535 1325294005 /nfs/dbraw/zinc/29/40/05/1325294005.db2.gz CVMDUOPVKNEWID-MDYRTPRTSA-N 2 0 330.472 3.037 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cnn1-c1ccc(F)cc1 ZINC000925799924 1325307359 /nfs/dbraw/zinc/30/73/59/1325307359.db2.gz PNHRHNWMXCLSJY-IJEWVQPXSA-N 2 0 330.451 3.216 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1F ZINC000925807617 1325310438 /nfs/dbraw/zinc/31/04/38/1325310438.db2.gz GGIXNERBEYJUIB-INIZCTEOSA-N 2 0 327.447 3.082 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cc1F ZINC000925809712 1325311692 /nfs/dbraw/zinc/31/16/92/1325311692.db2.gz TUTIDKRCIKNYQV-OAHLLOKOSA-N 2 0 345.437 3.221 10 0 EGAERP CCc1c2cc(C)ccc2oc1[C@@H](C)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925813365 1325312283 /nfs/dbraw/zinc/31/22/83/1325312283.db2.gz UJRLDAPWEDWTKZ-OAHLLOKOSA-N 2 0 329.488 3.377 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000925814135 1325314207 /nfs/dbraw/zinc/31/42/07/1325314207.db2.gz GSUOJYCWOFYZQQ-INIZCTEOSA-N 2 0 339.936 3.280 10 0 EGAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925833589 1325321159 /nfs/dbraw/zinc/32/11/59/1325321159.db2.gz TVQHSMPBIISALY-DCDXPUDHSA-N 2 0 326.362 3.030 10 0 EGAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(N2CCCOC2=O)cc1 ZINC000925841441 1325323506 /nfs/dbraw/zinc/32/35/06/1325323506.db2.gz POKVAJUUZJUPCZ-XFQXTVEOSA-N 2 0 343.471 3.216 10 0 EGAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(F)ccc1F ZINC000925843963 1325324606 /nfs/dbraw/zinc/32/46/06/1325324606.db2.gz INPOPCCFIWAEHM-GOSISDBHSA-N 2 0 325.447 3.081 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925844147 1325325616 /nfs/dbraw/zinc/32/56/16/1325325616.db2.gz QUVBTADLPIVTBI-QKYXUNIQSA-N 2 0 344.503 3.399 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(I)cc1 ZINC000925877106 1325339773 /nfs/dbraw/zinc/33/97/73/1325339773.db2.gz LIIUVZLMJLCUAW-WDMOLILDSA-N 2 0 344.240 3.069 10 0 EGAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925875916 1325339917 /nfs/dbraw/zinc/33/99/17/1325339917.db2.gz OZFUPAQYMLCLPD-UHTWSYAYSA-N 2 0 329.257 3.236 10 0 EGAERP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925879946 1325341089 /nfs/dbraw/zinc/34/10/89/1325341089.db2.gz MTHBKKDJPIEEQA-KPFFTGBYSA-N 2 0 325.456 3.091 10 0 EGAERP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000926123217 1325437385 /nfs/dbraw/zinc/43/73/85/1325437385.db2.gz BFAVBFMFPJAVOL-NJDAHSKKSA-N 2 0 348.531 3.063 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)c1ccns1 ZINC000926378394 1325533631 /nfs/dbraw/zinc/53/36/31/1325533631.db2.gz OZGNAXQYDQQOTC-AWEZNQCLSA-N 2 0 331.485 3.467 10 0 EGAERP CC(C)(C)[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CC1 ZINC000926591623 1327628806 /nfs/dbraw/zinc/62/88/06/1327628806.db2.gz QUXOQIXVYLELMU-IBGZPJMESA-N 2 0 330.516 3.428 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)CC2)ccn1 ZINC000926692698 1327670849 /nfs/dbraw/zinc/67/08/49/1327670849.db2.gz IWDDMSNAQZHKMT-SFTDATJTSA-N 2 0 343.515 3.088 10 0 EGAERP C[C@H]([NH2+]Cc1c(C(F)(F)F)cnn1C)c1cccc(C[NH+](C)C)c1 ZINC000926741952 1327694571 /nfs/dbraw/zinc/69/45/71/1327694571.db2.gz KTXAIUBUENJPNR-LBPRGKRZSA-N 2 0 340.393 3.351 10 0 EGAERP C[C@@H]([NH2+]C[C@H](O)Cc1ccc(F)cc1)c1cccc(C[NH+](C)C)c1 ZINC000926868592 1327747064 /nfs/dbraw/zinc/74/70/64/1327747064.db2.gz JSGXLHCPFWKFFF-FOIQADDNSA-N 2 0 330.447 3.142 10 0 EGAERP C[C@H]([NH2+][C@@H](CO)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926893625 1327762797 /nfs/dbraw/zinc/76/27/97/1327762797.db2.gz RXSHQWVPHVEVSS-LAUBAEHRSA-N 2 0 326.484 3.393 10 0 EGAERP CCc1onc(C)c1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000927140635 1327888068 /nfs/dbraw/zinc/88/80/68/1327888068.db2.gz RQXOIEUUVKQUQT-AWEZNQCLSA-N 2 0 331.460 3.337 10 0 EGAERP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927157956 1327898632 /nfs/dbraw/zinc/89/86/32/1327898632.db2.gz AAXJPNIURZFSSY-LPHOPBHVSA-N 2 0 332.488 3.379 10 0 EGAERP CCOc1cc(F)cc(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000865417191 1329694281 /nfs/dbraw/zinc/69/42/81/1329694281.db2.gz BMLVQPBJDCOBGC-UHFFFAOYSA-N 2 0 346.446 3.455 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000865508611 1329707306 /nfs/dbraw/zinc/70/73/06/1329707306.db2.gz LFDQCCDUCNOROC-OFLPRAFFSA-N 2 0 339.524 3.096 10 0 EGAERP CC(=O)NCC1CCC([NH2+]C[C@@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000865553359 1329713029 /nfs/dbraw/zinc/71/30/29/1329713029.db2.gz NSPZOZNCTYBFDF-QLOJAFMTSA-N 2 0 335.536 3.068 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865762869 1329736100 /nfs/dbraw/zinc/73/61/00/1329736100.db2.gz XYPBSGJMROYKEY-FPOVZHCZSA-N 2 0 346.515 3.312 10 0 EGAERP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CCC34CCOCC4)CC2)cc1 ZINC000865778284 1329737373 /nfs/dbraw/zinc/73/73/73/1329737373.db2.gz SHBDBVVUKXIGDX-HXUWFJFHSA-N 2 0 342.527 3.490 10 0 EGAERP CN1Cc2ccccc2[C@H]1C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000865806918 1329740462 /nfs/dbraw/zinc/74/04/62/1329740462.db2.gz UJUSBLBXDFIDQF-HSZRJFAPSA-N 2 0 349.522 3.470 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C2([C@H]3CCCCO3)CCC2)cc1 ZINC000865858008 1329746102 /nfs/dbraw/zinc/74/61/02/1329746102.db2.gz YDRFBIKESNBWJB-LJQANCHMSA-N 2 0 332.488 3.208 10 0 EGAERP Cc1c([C@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000866515395 1330120484 /nfs/dbraw/zinc/12/04/84/1330120484.db2.gz ASJVOCGDFMWFLU-FVWXCPNNSA-N 2 0 341.503 3.489 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1)c1ccc(F)cc1 ZINC000866703586 1330142607 /nfs/dbraw/zinc/14/26/07/1330142607.db2.gz KFWJXEZYBCVPCG-AUSJPIAWSA-N 2 0 349.494 3.088 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001323509069 1387378955 /nfs/dbraw/zinc/37/89/55/1387378955.db2.gz RAIPIBVMFPOLEW-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001323644739 1387416379 /nfs/dbraw/zinc/41/63/79/1387416379.db2.gz WNILTONSSPPEID-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001323670223 1387421375 /nfs/dbraw/zinc/42/13/75/1387421375.db2.gz PKZUJBSOOTXRDZ-OHSMVPPVSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[NH+](CCNC(=O)[C@@H]1CCC[N@H+]1C)C1CCCCCC1 ZINC001323707925 1387425217 /nfs/dbraw/zinc/42/52/17/1387425217.db2.gz AXRGLMYBWAMOET-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001324090956 1387537841 /nfs/dbraw/zinc/53/78/41/1387537841.db2.gz SBYWRAGLBYFFJR-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001324096568 1387539626 /nfs/dbraw/zinc/53/96/26/1387539626.db2.gz COVAPPPCFUMFQB-PKOBYXMFSA-N 2 0 349.563 3.266 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC001324285412 1387581563 /nfs/dbraw/zinc/58/15/63/1387581563.db2.gz HYRPRNJYNJSTCQ-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001324340665 1387598956 /nfs/dbraw/zinc/59/89/56/1387598956.db2.gz WSIQDMTYVRGNKU-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001324340668 1387599344 /nfs/dbraw/zinc/59/93/44/1387599344.db2.gz WTOCYOVHOTWUQH-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)CC1 ZINC001324498507 1387652927 /nfs/dbraw/zinc/65/29/27/1387652927.db2.gz VSGIJEKMVXQBHM-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP CCc1cccc(C[N@@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001324670534 1387727896 /nfs/dbraw/zinc/72/78/96/1387727896.db2.gz YYVSEDFXBXPRSF-NRFANRHFSA-N 2 0 345.531 3.062 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001324813596 1387781682 /nfs/dbraw/zinc/78/16/82/1387781682.db2.gz ORBUOGLTBODJBM-CTNGQTDRSA-N 2 0 345.531 3.164 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCC[C@H]2C2CC2)CC1 ZINC001116510956 1370927081 /nfs/dbraw/zinc/92/70/81/1370927081.db2.gz FJJHERATLFLEKA-PMACEKPBSA-N 2 0 327.516 3.497 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4ccoc43)cc2)C1 ZINC001118423041 1371179609 /nfs/dbraw/zinc/17/96/09/1371179609.db2.gz BXDNOIHBZHCAEI-HXUWFJFHSA-N 2 0 336.435 3.289 10 0 EGAERP C[C@@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001118852198 1371240521 /nfs/dbraw/zinc/24/05/21/1371240521.db2.gz IQMKGUSNEBFEJM-LSDHHAIUSA-N 2 0 327.513 3.094 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001326384113 1388173511 /nfs/dbraw/zinc/17/35/11/1388173511.db2.gz RUCCCMXQCBRZCP-XSXCZSQGSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1CNC(=O)[C@@H]1CCCC[C@H]1[NH3+] ZINC001326408797 1388180328 /nfs/dbraw/zinc/18/03/28/1388180328.db2.gz OMZXYDYZAABAJF-NSISKUIASA-N 2 0 343.515 3.195 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001326845882 1388328460 /nfs/dbraw/zinc/32/84/60/1388328460.db2.gz MWQUPAFUSQHJSF-SNAWJCMRSA-N 2 0 340.471 3.241 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116901 1377194350 /nfs/dbraw/zinc/19/43/50/1377194350.db2.gz OJFLTXJOCKZVLV-AMQGLKLZSA-N 2 0 337.552 3.242 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266526458 1377327454 /nfs/dbraw/zinc/32/74/54/1377327454.db2.gz VNYLDIRTKQFNHQ-MSOLQXFVSA-N 2 0 343.515 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266842676 1377391495 /nfs/dbraw/zinc/39/14/95/1377391495.db2.gz SDXHRFBMXVKUCL-CQQBRXBZSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC001267521208 1377451027 /nfs/dbraw/zinc/45/10/27/1377451027.db2.gz WQAJKDFHNNUAHR-MOPGFXCFSA-N 2 0 345.531 3.354 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001268194516 1377491511 /nfs/dbraw/zinc/49/15/11/1377491511.db2.gz YSZISAKCGWSZSF-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001268202431 1377493726 /nfs/dbraw/zinc/49/37/26/1377493726.db2.gz VSTSOVFAVKXYBJ-CHYADLBTSA-N 2 0 340.471 3.193 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CCCC3)C2)CC[N@@H+]1C ZINC001269737195 1377567954 /nfs/dbraw/zinc/56/79/54/1377567954.db2.gz INJDPQQCAYAHPY-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001270650774 1377609110 /nfs/dbraw/zinc/60/91/10/1377609110.db2.gz YFXNDDRNDGWBNL-CTNGQTDRSA-N 2 0 345.531 3.231 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](C)(C[NH2+]CC3CCCCCC3)C2)C1 ZINC001270830597 1377615432 /nfs/dbraw/zinc/61/54/32/1377615432.db2.gz SWGZVZCWQFDNNZ-PZJWPPBQSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001271542804 1377636776 /nfs/dbraw/zinc/63/67/76/1377636776.db2.gz CFHDHFXMKDJQKI-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001327473742 1388528851 /nfs/dbraw/zinc/52/88/51/1388528851.db2.gz BXAWLMPIXZFACZ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001327474086 1388528892 /nfs/dbraw/zinc/52/88/92/1388528892.db2.gz GPJHNXNRHQYCBI-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001272465726 1378074312 /nfs/dbraw/zinc/07/43/12/1378074312.db2.gz JHWXLARCTPKGOJ-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)CC(C)C)CCC2)CC[N@@H+]1C ZINC001273084617 1378086966 /nfs/dbraw/zinc/08/69/66/1378086966.db2.gz VIJXTNFMOZLMOK-OKZBNKHCSA-N 2 0 337.552 3.027 10 0 EGAERP CN(CCC[N@H+](C)C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)CC[NH+]1CCCCC1 ZINC001273591476 1378105221 /nfs/dbraw/zinc/10/52/21/1378105221.db2.gz SOBBCAUYIIYCHU-AQNXPRMDSA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001275608670 1378146994 /nfs/dbraw/zinc/14/69/94/1378146994.db2.gz DQSMGVQIFWOZNH-UHFFFAOYSA-N 2 0 342.487 3.416 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001276001054 1378166820 /nfs/dbraw/zinc/16/68/20/1378166820.db2.gz DIZDIOZFAJZLLI-PKOBYXMFSA-N 2 0 331.504 3.059 10 0 EGAERP CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001327492188 1388535178 /nfs/dbraw/zinc/53/51/78/1388535178.db2.gz GWPHHCPTIWWFDF-UHFFFAOYSA-N 2 0 347.547 3.334 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001278432162 1378269958 /nfs/dbraw/zinc/26/99/58/1378269958.db2.gz BRFFWDRLEQAKHM-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC001281906131 1378456854 /nfs/dbraw/zinc/45/68/54/1378456854.db2.gz STURWUHWNLOEPO-ODWICZQRSA-N 2 0 343.515 3.055 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001282813361 1378623787 /nfs/dbraw/zinc/62/37/87/1378623787.db2.gz WIISGDZNVCAVPU-XSAZBNQGSA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834334 1378635554 /nfs/dbraw/zinc/63/55/54/1378635554.db2.gz QELJELYZMIFMQC-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001284014560 1379362926 /nfs/dbraw/zinc/36/29/26/1379362926.db2.gz BUYYOUHHCAEWHZ-XETPZHMNSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284056690 1379408194 /nfs/dbraw/zinc/40/81/94/1379408194.db2.gz IHWKYFOGPRLACJ-CMKODMSKSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1CCCCCC1)CC2 ZINC001284066153 1379422375 /nfs/dbraw/zinc/42/23/75/1379422375.db2.gz FFMJQZZNVZZPMV-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001284072467 1379437211 /nfs/dbraw/zinc/43/72/11/1379437211.db2.gz RPUUYKMMLRQUFJ-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCC1)CC2 ZINC001284072784 1379438109 /nfs/dbraw/zinc/43/81/09/1379438109.db2.gz VWVKZEYUHNKFQW-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001284210006 1379599632 /nfs/dbraw/zinc/59/96/32/1379599632.db2.gz LGPUOQHENYEYCQ-AZUAARDMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001284600048 1380000816 /nfs/dbraw/zinc/00/08/16/1380000816.db2.gz YIVVOFCWBLBVIW-BFYDXBDKSA-N 2 0 346.519 3.070 10 0 EGAERP C[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCCCC1 ZINC001284630357 1380033893 /nfs/dbraw/zinc/03/38/93/1380033893.db2.gz GJMLRZJCALKNHH-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCCCC1 ZINC001284630359 1380034002 /nfs/dbraw/zinc/03/40/02/1380034002.db2.gz GJMLRZJCALKNHH-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cncn1CC(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1 ZINC001328007438 1388643690 /nfs/dbraw/zinc/64/36/90/1388643690.db2.gz QURLXUUQZZHUBK-UHFFFAOYSA-N 2 0 346.519 3.133 10 0 EGAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC001328006643 1388644048 /nfs/dbraw/zinc/64/40/48/1388644048.db2.gz GWYOZJXYVTUKCH-MRXNPFEDSA-N 2 0 335.467 3.339 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001284683616 1380093718 /nfs/dbraw/zinc/09/37/18/1380093718.db2.gz GOKWIGYUUIQSRQ-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001284702003 1380116711 /nfs/dbraw/zinc/11/67/11/1380116711.db2.gz JBFPGMLIWXYCSQ-QZTJIDSGSA-N 2 0 339.568 3.226 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001328048770 1388653691 /nfs/dbraw/zinc/65/36/91/1388653691.db2.gz YKURSLPTNXFJTL-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC001328157122 1388683331 /nfs/dbraw/zinc/68/33/31/1388683331.db2.gz BMNYUFVNKZTQBL-XMSQKQJNSA-N 2 0 338.495 3.282 10 0 EGAERP CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001328588704 1388784751 /nfs/dbraw/zinc/78/47/51/1388784751.db2.gz XYEXTTQJGWEVJY-LIXSYLKWSA-N 2 0 349.563 3.245 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)N1CC[N@H+](C)C(C)(C)CC1)c1ccccc1 ZINC001301684085 1383726162 /nfs/dbraw/zinc/72/61/62/1383726162.db2.gz AYCHBMVIEAGTGZ-GOSISDBHSA-N 2 0 331.504 3.012 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001316623958 1384489613 /nfs/dbraw/zinc/48/96/13/1384489613.db2.gz LFTWZFTXEIPBNX-JENIJYKNSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1CCC1CCCC1 ZINC001316742800 1384555366 /nfs/dbraw/zinc/55/53/66/1384555366.db2.gz ZQGJPNPGLWKPQE-IPMKNSEASA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)cc2C)[C@@H]1C ZINC001316797494 1384588351 /nfs/dbraw/zinc/58/83/51/1384588351.db2.gz MBWXQCLIHDEDNS-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316807082 1384599809 /nfs/dbraw/zinc/59/98/09/1384599809.db2.gz ZEFQIHGFLZTFCG-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC1(C)C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CC2CC2)C1 ZINC001316812148 1384611366 /nfs/dbraw/zinc/61/13/66/1384611366.db2.gz RQJNEWMTXMAXML-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316875501 1384660436 /nfs/dbraw/zinc/66/04/36/1384660436.db2.gz AFCQOHNTGXZFAY-YHTLKTDXSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316878432 1384663197 /nfs/dbraw/zinc/66/31/97/1384663197.db2.gz HRORWWHIBSQNLB-LPHOPBHVSA-N 2 0 349.494 3.081 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C1CCCCCC1)[NH+]1CCCCC1 ZINC001171861492 1384663624 /nfs/dbraw/zinc/66/36/24/1384663624.db2.gz ODFMRGOACYLRKM-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccc(F)c1 ZINC001316897746 1384677437 /nfs/dbraw/zinc/67/74/37/1384677437.db2.gz OZBNKWBNILSJPZ-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccccc1 ZINC001316903385 1384683095 /nfs/dbraw/zinc/68/30/95/1384683095.db2.gz JJPORXTXKAIGSH-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317045300 1384820512 /nfs/dbraw/zinc/82/05/12/1384820512.db2.gz UNTLJFRCJYOIRS-GOSISDBHSA-N 2 0 339.568 3.325 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001317047020 1384822906 /nfs/dbraw/zinc/82/29/06/1384822906.db2.gz FFDWKCQCCSDUCG-RGOVZJGCSA-N 2 0 347.547 3.282 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001317190201 1384963962 /nfs/dbraw/zinc/96/39/62/1384963962.db2.gz NNCGUDLXTXIDJN-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317192223 1384966288 /nfs/dbraw/zinc/96/62/88/1384966288.db2.gz CZYSMMQLKDUKTN-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317192359 1384966699 /nfs/dbraw/zinc/96/66/99/1384966699.db2.gz DUMMBWBAZGHUCB-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC(C)(C)C ZINC001317209574 1384987913 /nfs/dbraw/zinc/98/79/13/1384987913.db2.gz SRCROMCFPRYWOY-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317218833 1384999321 /nfs/dbraw/zinc/99/93/21/1384999321.db2.gz NDIYLAOZJQFBKT-LKFCSYKXSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001317264811 1385034552 /nfs/dbraw/zinc/03/45/52/1385034552.db2.gz LRUOTNXHHDPUSF-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317359792 1385103783 /nfs/dbraw/zinc/10/37/83/1385103783.db2.gz PUUFMMAFQQFIJD-SJORKVTESA-N 2 0 340.471 3.240 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317359790 1385103816 /nfs/dbraw/zinc/10/38/16/1385103816.db2.gz PUUFMMAFQQFIJD-IRXDYDNUSA-N 2 0 340.471 3.240 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001317360781 1385104039 /nfs/dbraw/zinc/10/40/39/1385104039.db2.gz ZHQPVVPWWBTFCG-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC(C)(C)CC1 ZINC001317392592 1385111587 /nfs/dbraw/zinc/11/15/87/1385111587.db2.gz BOKJPMDAFSTKCS-APWZRJJASA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001317406589 1385118894 /nfs/dbraw/zinc/11/88/94/1385118894.db2.gz DKEZTNRUBDRINK-IAGOWNOFSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001317423494 1385130098 /nfs/dbraw/zinc/13/00/98/1385130098.db2.gz LSGQKWRDBNPUSQ-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)NCCC[C@H]1CCC[NH+]1CC1=CCCCC1)C1CCC1 ZINC001317423486 1385130388 /nfs/dbraw/zinc/13/03/88/1385130388.db2.gz LQJCOEBPGSIAIS-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001317426037 1385131823 /nfs/dbraw/zinc/13/18/23/1385131823.db2.gz DZLLELCDWNORCD-PMACEKPBSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317525112 1385245173 /nfs/dbraw/zinc/24/51/73/1385245173.db2.gz DETJESUZXCKUNL-PHWHVTFISA-N 2 0 347.547 3.047 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317532551 1385260405 /nfs/dbraw/zinc/26/04/05/1385260405.db2.gz IPGPOHDENXAUPT-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001317629635 1385361979 /nfs/dbraw/zinc/36/19/79/1385361979.db2.gz ZLDVJJGRQOQDIL-GOSISDBHSA-N 2 0 347.528 3.036 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001317761673 1385451386 /nfs/dbraw/zinc/45/13/86/1385451386.db2.gz NPLVNELJHSDYNV-VQTJNVASSA-N 2 0 345.531 3.148 10 0 EGAERP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001317767609 1385457266 /nfs/dbraw/zinc/45/72/66/1385457266.db2.gz RZIDBJCYJNCWBU-SJORKVTESA-N 2 0 325.541 3.076 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001317767859 1385458552 /nfs/dbraw/zinc/45/85/52/1385458552.db2.gz WBNFVTATLNYCJB-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC2(C[NH2+]CC3CCCC3)CCCC2)C1 ZINC001318665169 1385825157 /nfs/dbraw/zinc/82/51/57/1385825157.db2.gz SGWUENMWBNEUMG-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001318792239 1385855658 /nfs/dbraw/zinc/85/56/58/1385855658.db2.gz CMLWMRLVUARLCJ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001318859895 1385864105 /nfs/dbraw/zinc/86/41/05/1385864105.db2.gz KVBWRGLDKIULLD-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC1CCC(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001318955638 1385895880 /nfs/dbraw/zinc/89/58/80/1385895880.db2.gz DZEKUWIMMXYSNL-NZKYNAJMSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001318983228 1385908521 /nfs/dbraw/zinc/90/85/21/1385908521.db2.gz GUAXYTBZXHKDCN-GUDVDZBRSA-N 2 0 337.552 3.458 10 0 EGAERP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001318990761 1385914281 /nfs/dbraw/zinc/91/42/81/1385914281.db2.gz NITWNVCRLRQDDR-RBUKOAKNSA-N 2 0 349.494 3.013 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001319032069 1385937646 /nfs/dbraw/zinc/93/76/46/1385937646.db2.gz UGSSHZLLTFYZKL-WAYWQWQTSA-N 2 0 349.563 3.293 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001319078527 1385954288 /nfs/dbraw/zinc/95/42/88/1385954288.db2.gz PQFZHPUAFYFMCP-RTBURBONSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001319285037 1386042602 /nfs/dbraw/zinc/04/26/02/1386042602.db2.gz JDXRSGRDNDZIIC-GJZGRUSLSA-N 2 0 339.911 3.083 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001319477372 1386138891 /nfs/dbraw/zinc/13/88/91/1386138891.db2.gz WTUYJCMREJYFKW-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1cccc2ccccc21)N(C)C(=O)CC[NH+](C)C ZINC001319524691 1386159696 /nfs/dbraw/zinc/15/96/96/1386159696.db2.gz IDRSHDMCEPQPTN-SJORKVTESA-N 2 0 341.499 3.289 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001698633503 1406277529 /nfs/dbraw/zinc/27/75/29/1406277529.db2.gz LDNQLJZXBGNAHB-PLNGDYQASA-N 2 0 335.536 3.093 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001319594355 1386196224 /nfs/dbraw/zinc/19/62/24/1386196224.db2.gz UIMJINKCDHAROI-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001698634734 1406279545 /nfs/dbraw/zinc/27/95/45/1406279545.db2.gz BUMYJIIVJGNJNA-CQQBRXBZSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)C1CC[NH+](C)CC1 ZINC001319633445 1386221084 /nfs/dbraw/zinc/22/10/84/1386221084.db2.gz HRSZEKIXMBNUBZ-GOSISDBHSA-N 2 0 339.568 3.275 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC2(C[NH2+]CCC3CC3)CCCC2)c1 ZINC001698635861 1406281105 /nfs/dbraw/zinc/28/11/05/1406281105.db2.gz HYAOBQOIXHMVRB-UHFFFAOYSA-N 2 0 343.515 3.181 10 0 EGAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001319688235 1386252364 /nfs/dbraw/zinc/25/23/64/1386252364.db2.gz ATEVHBVPMZYSIF-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cc(C[NH2+]CC[C@@H]2CCCCN2C(=O)[C@H]2CCC[N@H+]2C)cs1 ZINC001319735414 1386274807 /nfs/dbraw/zinc/27/48/07/1386274807.db2.gz FHRRRRHFSQJHJK-ZWKOTPCHSA-N 2 0 349.544 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915854 1386387620 /nfs/dbraw/zinc/38/76/20/1386387620.db2.gz CAOIPUBZFTUNJX-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC001319942868 1386405779 /nfs/dbraw/zinc/40/57/79/1386405779.db2.gz GNVIZZBVISERGQ-FQEVSTJZSA-N 2 0 341.499 3.022 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001320103633 1386514870 /nfs/dbraw/zinc/51/48/70/1386514870.db2.gz LXDXWFNKJXZGRA-YSKLNCTFSA-N 2 0 347.547 3.140 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320369786 1386590166 /nfs/dbraw/zinc/59/01/66/1386590166.db2.gz BIPRLZJZWQASCX-APWZRJJASA-N 2 0 345.531 3.063 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001320756944 1386710498 /nfs/dbraw/zinc/71/04/98/1386710498.db2.gz VLWNJWAFWUETQP-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@]1(NC(=O)CC[NH+](C)C)CCCC[C@@H]1C ZINC001698665079 1406316091 /nfs/dbraw/zinc/31/60/91/1406316091.db2.gz UEXLNLYTGVQIQP-GHTZIAJQSA-N 2 0 345.531 3.101 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C(C)C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001320891096 1386749596 /nfs/dbraw/zinc/74/95/96/1386749596.db2.gz DHMNBDRKHZDGRJ-SFHVURJKSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001698665496 1406316645 /nfs/dbraw/zinc/31/66/45/1406316645.db2.gz ZJGPYAIYFRXFTC-PXNSSMCTSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001321127550 1386817801 /nfs/dbraw/zinc/81/78/01/1386817801.db2.gz VFJBJKLEIFGKLZ-ARJAWSKDSA-N 2 0 348.450 3.027 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001698675456 1406323792 /nfs/dbraw/zinc/32/37/92/1406323792.db2.gz WUSXIFJHXYGMBP-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001321419325 1386900020 /nfs/dbraw/zinc/90/00/20/1386900020.db2.gz OUSFCJPANYAUQZ-KQPGTDLCSA-N 2 0 343.515 3.192 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccccc1 ZINC001322805710 1387241064 /nfs/dbraw/zinc/24/10/64/1387241064.db2.gz JAUUMAQYKSKHFZ-CTNGQTDRSA-N 2 0 343.515 3.062 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001329201700 1389019102 /nfs/dbraw/zinc/01/91/02/1389019102.db2.gz FEXVGWMNBVDUCY-IRXDYDNUSA-N 2 0 341.499 3.163 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001329458748 1389116491 /nfs/dbraw/zinc/11/64/91/1389116491.db2.gz BWOXZGIPYPRVCI-LPHOPBHVSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329500241 1389131860 /nfs/dbraw/zinc/13/18/60/1389131860.db2.gz FQIKNMBWTGMXDU-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001329861413 1389238811 /nfs/dbraw/zinc/23/88/11/1389238811.db2.gz QKKRPHUOSCQOPL-QRVBRYPASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001698721088 1406367146 /nfs/dbraw/zinc/36/71/46/1406367146.db2.gz ISZATGAIULXFCG-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@H+]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001330224278 1389348442 /nfs/dbraw/zinc/34/84/42/1389348442.db2.gz VDOPSHOKFLCBCT-GOSISDBHSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C)C[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001330242416 1389358752 /nfs/dbraw/zinc/35/87/52/1389358752.db2.gz BOGVPYDMHOTVDU-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC1CCC(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001330609455 1389469266 /nfs/dbraw/zinc/46/92/66/1389469266.db2.gz DXKKDHHVPODHHM-WFAGLZIHSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001330621958 1389473969 /nfs/dbraw/zinc/47/39/69/1389473969.db2.gz MHJCHXUTSVEEQQ-UFYCRDLUSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001330650087 1389482707 /nfs/dbraw/zinc/48/27/07/1389482707.db2.gz FPHSSTHQBCWFRO-SOAMZJECSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)CC1 ZINC001330697250 1389501859 /nfs/dbraw/zinc/50/18/59/1389501859.db2.gz IMONOBJNLBDVLO-QUCCMNQESA-N 2 0 345.531 3.122 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001330959896 1389576767 /nfs/dbraw/zinc/57/67/67/1389576767.db2.gz AWAVPIHONJBLPA-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001331927915 1389915592 /nfs/dbraw/zinc/91/55/92/1389915592.db2.gz IJXNHNMPZNXEMI-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001332221646 1390054599 /nfs/dbraw/zinc/05/45/99/1390054599.db2.gz ZNBRWPPMBSDVHA-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386947 1390103160 /nfs/dbraw/zinc/10/31/60/1390103160.db2.gz IBNPTEDFYOWFHM-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001332950005 1390222437 /nfs/dbraw/zinc/22/24/37/1390222437.db2.gz OSUXEPKXVXVCMQ-MRXNPFEDSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001333013582 1390236463 /nfs/dbraw/zinc/23/64/63/1390236463.db2.gz ILPBVBQEHOIDKT-ICSRJNTNSA-N 2 0 349.563 3.290 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N(C)C1CC([NH2+]CCC2CC2)C1)c1ccccc1 ZINC001333141936 1390255895 /nfs/dbraw/zinc/25/58/95/1390255895.db2.gz SAEAZGIEYXKRME-SOAGJPPSSA-N 2 0 343.515 3.059 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C2CC[NH+](CCCC3CCC3)CC2)CC1 ZINC001333192206 1390264542 /nfs/dbraw/zinc/26/45/42/1390264542.db2.gz MVNUAHYWWNXZQP-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001488747773 1391715839 /nfs/dbraw/zinc/71/58/39/1391715839.db2.gz ZERJYIKFHQGPHF-RDGPPVDQSA-N 2 0 335.536 3.068 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698838291 1406534235 /nfs/dbraw/zinc/53/42/35/1406534235.db2.gz VUGPHQBLEIHURQ-KRWDZBQOSA-N 2 0 345.531 3.060 10 0 EGAERP CN(C[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1)C(=O)CCCC[NH+](C)C ZINC001479261673 1392201081 /nfs/dbraw/zinc/20/10/81/1392201081.db2.gz YUKWGMMHKNJZFR-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001479502562 1392259304 /nfs/dbraw/zinc/25/93/04/1392259304.db2.gz JZPJKVWBOCAPAO-PHWHVTFISA-N 2 0 347.547 3.142 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001479523732 1392268115 /nfs/dbraw/zinc/26/81/15/1392268115.db2.gz OAASKMUXDUZSFP-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)C[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001479694657 1392325514 /nfs/dbraw/zinc/32/55/14/1392325514.db2.gz DVXHGAGADQNPSJ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC001479695046 1392326042 /nfs/dbraw/zinc/32/60/42/1392326042.db2.gz UJGVSVCBCQIFEJ-VQTJNVASSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479738403 1392350544 /nfs/dbraw/zinc/35/05/44/1392350544.db2.gz BITVXHFSHQKJNN-FQEVSTJZSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)[NH+](C)C ZINC001479744029 1392358182 /nfs/dbraw/zinc/35/81/82/1392358182.db2.gz BZNVSQOBVQWMBZ-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c(C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001479815190 1392407725 /nfs/dbraw/zinc/40/77/25/1392407725.db2.gz ATDDPOIQAXTQIS-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CC(C)(C)C1 ZINC001479847212 1392428836 /nfs/dbraw/zinc/42/88/36/1392428836.db2.gz YBNWRJXUWUTFAW-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001479916761 1392483654 /nfs/dbraw/zinc/48/36/54/1392483654.db2.gz RMFMPUWNCBRREY-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2)[NH+](CC)CC ZINC001479984622 1392517345 /nfs/dbraw/zinc/51/73/45/1392517345.db2.gz FPCAKFWMYQIDMX-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CC2CCCC2)C2CC2)c1 ZINC001480067305 1392558718 /nfs/dbraw/zinc/55/87/18/1392558718.db2.gz ZTZSNFJDTSRQFD-HXUWFJFHSA-N 2 0 343.515 3.036 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480285414 1392659745 /nfs/dbraw/zinc/65/97/45/1392659745.db2.gz IAMSZBDWUNMGKY-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001480294241 1392663083 /nfs/dbraw/zinc/66/30/83/1392663083.db2.gz YIZKQDHRXWXMHL-MOPGFXCFSA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001480318499 1392678126 /nfs/dbraw/zinc/67/81/26/1392678126.db2.gz IUHDBYPJWKTVEH-MJRGOJFPSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001480368232 1392710505 /nfs/dbraw/zinc/71/05/05/1392710505.db2.gz UVOCRUMWZMFLBY-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480368471 1392710666 /nfs/dbraw/zinc/71/06/66/1392710666.db2.gz XSJCQAKOTOBGEK-RBUKOAKNSA-N 2 0 345.531 3.367 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480373547 1392715690 /nfs/dbraw/zinc/71/56/90/1392715690.db2.gz QROZNDLMBLRAKW-WGLWSTOQSA-N 2 0 347.547 3.284 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480378236 1392721261 /nfs/dbraw/zinc/72/12/61/1392721261.db2.gz APHQQANACIQQHJ-SLXDBMQSSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001480458642 1392759400 /nfs/dbraw/zinc/75/94/00/1392759400.db2.gz FMZBLAFPNGMCFA-ICSRJNTNSA-N 2 0 345.531 3.079 10 0 EGAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001480537861 1392784258 /nfs/dbraw/zinc/78/42/58/1392784258.db2.gz QXKDNWAMOWCZLU-INIZCTEOSA-N 2 0 345.531 3.136 10 0 EGAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001480537862 1392784361 /nfs/dbraw/zinc/78/43/61/1392784361.db2.gz QXKDNWAMOWCZLU-MRXNPFEDSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480705465 1392868618 /nfs/dbraw/zinc/86/86/18/1392868618.db2.gz QRSYONBURSPAQE-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480733103 1392895807 /nfs/dbraw/zinc/89/58/07/1392895807.db2.gz WYKCSVLPDUJGRR-PHWHVTFISA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734930 1392900119 /nfs/dbraw/zinc/90/01/19/1392900119.db2.gz PHEFWBMISMNKGK-MOPGFXCFSA-N 2 0 331.504 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480827962 1392966697 /nfs/dbraw/zinc/96/66/97/1392966697.db2.gz JBYHQTLXFJZNTI-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)c1 ZINC001480833189 1392974666 /nfs/dbraw/zinc/97/46/66/1392974666.db2.gz OVBSTWLTXILVQF-HXUWFJFHSA-N 2 0 343.515 3.133 10 0 EGAERP CC(C)(C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1)[NH+]1CCCC1 ZINC001698880359 1406608996 /nfs/dbraw/zinc/60/89/96/1406608996.db2.gz DZXNUOPZZBVQBZ-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001481053548 1393107853 /nfs/dbraw/zinc/10/78/53/1393107853.db2.gz TVFRSGNZHNYAAB-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001481265283 1393155207 /nfs/dbraw/zinc/15/52/07/1393155207.db2.gz HADZKAVTZAAUPN-GOSISDBHSA-N 2 0 345.531 3.287 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490355790 1393179583 /nfs/dbraw/zinc/17/95/83/1393179583.db2.gz RCZIFTGVUKFFHT-IBGZPJMESA-N 2 0 343.515 3.062 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCC1 ZINC001490355207 1393179662 /nfs/dbraw/zinc/17/96/62/1393179662.db2.gz GSARRJNDVXBMCD-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001698890029 1406622247 /nfs/dbraw/zinc/62/22/47/1406622247.db2.gz ISNUYCOKPVDQAX-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001698904370 1406637618 /nfs/dbraw/zinc/63/76/18/1406637618.db2.gz JDWWVKMTLMFRLZ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001481365640 1394204689 /nfs/dbraw/zinc/20/46/89/1394204689.db2.gz RAGCAYQTPLEBIE-PMACEKPBSA-N 2 0 345.531 3.210 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC001481367605 1394207228 /nfs/dbraw/zinc/20/72/28/1394207228.db2.gz WPRJHIINZNIUBY-VQTJNVASSA-N 2 0 343.515 3.274 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481407022 1394261773 /nfs/dbraw/zinc/26/17/73/1394261773.db2.gz YKXZFUANKAPHGC-PMACEKPBSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490770174 1394333403 /nfs/dbraw/zinc/33/34/03/1394333403.db2.gz CDVHIEGKPGZPJW-DLBZAZTESA-N 2 0 349.494 3.009 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481530305 1394386239 /nfs/dbraw/zinc/38/62/39/1394386239.db2.gz HJZCUGCUFXLRDR-LJQANCHMSA-N 2 0 331.504 3.133 10 0 EGAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001491154679 1394453300 /nfs/dbraw/zinc/45/33/00/1394453300.db2.gz UVYDSRSCXWHFHK-QUCCMNQESA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C)C1CCC1 ZINC001491250995 1394491248 /nfs/dbraw/zinc/49/12/48/1394491248.db2.gz AGPKLIUDNFFERD-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001491251329 1394491349 /nfs/dbraw/zinc/49/13/49/1394491349.db2.gz MGKKDSARXYJABJ-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746221 1394492012 /nfs/dbraw/zinc/49/20/12/1394492012.db2.gz CFJFTFYBEWVKDQ-LPHOPBHVSA-N 2 0 349.494 3.151 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001481751859 1394496157 /nfs/dbraw/zinc/49/61/57/1394496157.db2.gz QLBVHJFZEHXSRT-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001491370316 1394514023 /nfs/dbraw/zinc/51/40/23/1394514023.db2.gz OFLCEAYTPTZQHY-UHFFFAOYSA-N 2 0 325.541 3.170 10 0 EGAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481821952 1394545713 /nfs/dbraw/zinc/54/57/13/1394545713.db2.gz VNFIRRMEPOJFCE-PMACEKPBSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481821953 1394546101 /nfs/dbraw/zinc/54/61/01/1394546101.db2.gz VNFIRRMEPOJFCE-UXHICEINSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854083 1394560459 /nfs/dbraw/zinc/56/04/59/1394560459.db2.gz ASFCBURWKASUDQ-WOJBJXKFSA-N 2 0 345.531 3.242 10 0 EGAERP C[N@H+](CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1)CC1CCCC1 ZINC001698955780 1406702509 /nfs/dbraw/zinc/70/25/09/1406702509.db2.gz ZHGZWPGKAYQQDM-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)c1ccccc1Cl ZINC001481880544 1394574815 /nfs/dbraw/zinc/57/48/15/1394574815.db2.gz GMEKTWGEYJHHKG-GJZGRUSLSA-N 2 0 339.911 3.226 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001481898893 1394585150 /nfs/dbraw/zinc/58/51/50/1394585150.db2.gz FUYRTGIANVFSBS-IBGZPJMESA-N 2 0 347.547 3.380 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001481991905 1394652037 /nfs/dbraw/zinc/65/20/37/1394652037.db2.gz RSPXPWOAGIDMHI-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001482016906 1394674089 /nfs/dbraw/zinc/67/40/89/1394674089.db2.gz PGWLRBAOLSLECS-IGGCZAQCSA-N 2 0 335.536 3.234 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001482021283 1394678056 /nfs/dbraw/zinc/67/80/56/1394678056.db2.gz HYFMYGLCCJTBJY-VJANTYMQSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001482108587 1394750562 /nfs/dbraw/zinc/75/05/62/1394750562.db2.gz TZTOLISFQLPNSC-AEFFLSMTSA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001482155168 1394773775 /nfs/dbraw/zinc/77/37/75/1394773775.db2.gz CVGWAFFCLPRVBJ-QGZVFWFLSA-N 2 0 339.568 3.275 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282686 1394864839 /nfs/dbraw/zinc/86/48/39/1394864839.db2.gz CFYGYBUNKBJGLE-ZHALLVOQSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1c(C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001482303347 1394879004 /nfs/dbraw/zinc/87/90/04/1394879004.db2.gz ZRUDLXQWALZZCU-HNNXBMFYSA-N 2 0 342.487 3.273 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482318140 1394889716 /nfs/dbraw/zinc/88/97/16/1394889716.db2.gz DVZVFSUMZRGLBJ-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc2cccc(C)c2)C1 ZINC001482322519 1394893491 /nfs/dbraw/zinc/89/34/91/1394893491.db2.gz BABULNTUKBPDKH-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482463903 1395021029 /nfs/dbraw/zinc/02/10/29/1395021029.db2.gz XAWDDPFMKGVOQZ-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)C)CC[N@@H+]1C ZINC001484017415 1395189093 /nfs/dbraw/zinc/18/90/93/1395189093.db2.gz PFLUQORCOJZDGC-FUMNGEBKSA-N 2 0 349.563 3.218 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484098808 1395249847 /nfs/dbraw/zinc/24/98/47/1395249847.db2.gz ARZNIJZXMXFURZ-HXUWFJFHSA-N 2 0 340.471 3.051 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CC3=CCCCC3)C2)CCC1 ZINC001484161804 1395296218 /nfs/dbraw/zinc/29/62/18/1395296218.db2.gz ZJWSOSRMVIAPKK-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001484470854 1395405462 /nfs/dbraw/zinc/40/54/62/1395405462.db2.gz VAFOWPBKKOLPSB-SLFFLAALSA-N 2 0 349.563 3.218 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001484618166 1395452258 /nfs/dbraw/zinc/45/22/58/1395452258.db2.gz INMUCHAMORRDRR-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CCCC2)CC1 ZINC001484810803 1395546239 /nfs/dbraw/zinc/54/62/39/1395546239.db2.gz LNDOTKBYWXFWPB-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)CC)cc2C1 ZINC001484875387 1395578440 /nfs/dbraw/zinc/57/84/40/1395578440.db2.gz CWXGZOXDNRFIQC-INIZCTEOSA-N 2 0 331.504 3.006 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978911 1395619951 /nfs/dbraw/zinc/61/99/51/1395619951.db2.gz KIIVXDAKANWWMA-HKUYNNGSSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001484982646 1395623482 /nfs/dbraw/zinc/62/34/82/1395623482.db2.gz TYRJIKOHQQRVTE-AEFFLSMTSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001484992546 1395637837 /nfs/dbraw/zinc/63/78/37/1395637837.db2.gz AGVYIVRUHGRPLE-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001485255893 1395742608 /nfs/dbraw/zinc/74/26/08/1395742608.db2.gz SVBZDICUCADMQY-UHFFFAOYSA-N 2 0 342.487 3.297 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC2=CCCCC2)C1 ZINC001485342016 1395813905 /nfs/dbraw/zinc/81/39/05/1395813905.db2.gz NJUZLXDGEOZUTA-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C)[NH+](CC)CC ZINC001485482102 1395965631 /nfs/dbraw/zinc/96/56/31/1395965631.db2.gz IQSJZWXDGKUCPA-OALUTQOASA-N 2 0 337.552 3.434 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001485570355 1396035726 /nfs/dbraw/zinc/03/57/26/1396035726.db2.gz BSHRUNRSKHPYQY-DFOOCIKTSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571794 1396038209 /nfs/dbraw/zinc/03/82/09/1396038209.db2.gz NWEMJBFKBZEEKU-WMZOPIPTSA-N 2 0 343.515 3.059 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001486222181 1396184379 /nfs/dbraw/zinc/18/43/79/1396184379.db2.gz XNPACCAPJPKYPI-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001486240849 1396187569 /nfs/dbraw/zinc/18/75/69/1396187569.db2.gz QHBRNLPCDADHSQ-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001492144309 1396308814 /nfs/dbraw/zinc/30/88/14/1396308814.db2.gz VDLZGQYKBYLDDT-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1Cc1ccc(F)cc1 ZINC001492178091 1396313069 /nfs/dbraw/zinc/31/30/69/1396313069.db2.gz LONZHCJJKCTGAI-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001494827112 1396497266 /nfs/dbraw/zinc/49/72/66/1396497266.db2.gz KRLSYJOBTGVKPK-FGTMMUONSA-N 2 0 337.552 3.076 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001494876184 1396504004 /nfs/dbraw/zinc/50/40/04/1396504004.db2.gz NNBLDTFGVRIZBS-VQTJNVASSA-N 2 0 345.531 3.258 10 0 EGAERP CC/C=C\CC[NH2+]Cc1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001495494912 1396537863 /nfs/dbraw/zinc/53/78/63/1396537863.db2.gz IHAWJSAABAUUDV-PLNGDYQASA-N 2 0 343.515 3.091 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001495814120 1396561321 /nfs/dbraw/zinc/56/13/21/1396561321.db2.gz OGDUEQXGGGSIDZ-MJGOQNOKSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001495959978 1396578723 /nfs/dbraw/zinc/57/87/23/1396578723.db2.gz QJCGRRZYOFEDON-IBGZPJMESA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180356 1396621018 /nfs/dbraw/zinc/62/10/18/1396621018.db2.gz YQGPSGJNMAPIPX-HKUYNNGSSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001496395414 1396686513 /nfs/dbraw/zinc/68/65/13/1396686513.db2.gz FQGUPAZSEVZWQR-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001496414129 1396697555 /nfs/dbraw/zinc/69/75/55/1396697555.db2.gz KZRIASHYSKXFOY-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001497761992 1396831532 /nfs/dbraw/zinc/83/15/32/1396831532.db2.gz DOHRMYUHVCBUPD-QWUACUGRSA-N 2 0 335.536 3.093 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001689052574 1396848219 /nfs/dbraw/zinc/84/82/19/1396848219.db2.gz OAEQCNBCWDABCU-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001689089812 1396894007 /nfs/dbraw/zinc/89/40/07/1396894007.db2.gz XVBNSISRDVWYKN-OGEVPIHTSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498325155 1396965175 /nfs/dbraw/zinc/96/51/75/1396965175.db2.gz NGZGPCUGSBRSOV-MRXNPFEDSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001498443635 1396996801 /nfs/dbraw/zinc/99/68/01/1396996801.db2.gz LPWGEILVBBESPH-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001689265276 1396997141 /nfs/dbraw/zinc/99/71/41/1396997141.db2.gz QWUPPVGKTITXJT-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699024282 1406860049 /nfs/dbraw/zinc/86/00/49/1406860049.db2.gz WWJCPVPZPAPQHO-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490013 1397034964 /nfs/dbraw/zinc/03/49/64/1397034964.db2.gz XFXWRWDAYSJWCI-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001689890697 1404188027 /nfs/dbraw/zinc/18/80/27/1404188027.db2.gz CGDGRSFTBHLOJX-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689909219 1404201866 /nfs/dbraw/zinc/20/18/66/1404201866.db2.gz MHJJVVFBAULIEB-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)(C(=O)NCCC[N@H+](CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001689990901 1404244125 /nfs/dbraw/zinc/24/41/25/1404244125.db2.gz XNOLYRIGJKTPAQ-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CCCCCF)CC1 ZINC001690027362 1404265316 /nfs/dbraw/zinc/26/53/16/1404265316.db2.gz JLUNWNOJZHBJGT-UHFFFAOYSA-N 2 0 343.531 3.027 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC001690318183 1404474607 /nfs/dbraw/zinc/47/46/07/1404474607.db2.gz QAQLIGRBMQGXGX-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3CCCCC3)CC[C@H]21 ZINC001690317902 1404474749 /nfs/dbraw/zinc/47/47/49/1404474749.db2.gz MIJLJIVUDFPHMD-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCC)CC[C@H]21 ZINC001690318446 1404476316 /nfs/dbraw/zinc/47/63/16/1404476316.db2.gz UAUHVFCVTXKKTL-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001690384954 1404516573 /nfs/dbraw/zinc/51/65/73/1404516573.db2.gz FHZOVMLVNKMXKC-BGEOSOQGSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690394059 1404535939 /nfs/dbraw/zinc/53/59/39/1404535939.db2.gz RPVXJZAOUPWBHE-IRXDYDNUSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001690410097 1404544771 /nfs/dbraw/zinc/54/47/71/1404544771.db2.gz ZWDHQPSCTBTNEI-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[N@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001690458699 1404588621 /nfs/dbraw/zinc/58/86/21/1404588621.db2.gz GNCYFNKDTUNQIR-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505792 1404618383 /nfs/dbraw/zinc/61/83/83/1404618383.db2.gz XOQOTMLBORQAAB-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690538569 1404626011 /nfs/dbraw/zinc/62/60/11/1404626011.db2.gz JZIORDHYDHBHBQ-DVBVJTGKSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2ccc(F)cc2)CC1 ZINC001690546223 1404629172 /nfs/dbraw/zinc/62/91/72/1404629172.db2.gz NIUBXLGIMCMNRE-MNNVXMFVSA-N 2 0 349.494 3.244 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001690635277 1404667017 /nfs/dbraw/zinc/66/70/17/1404667017.db2.gz KMEHKJRCUMVQRL-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757184 1404711372 /nfs/dbraw/zinc/71/13/72/1404711372.db2.gz CHQNBZIIRXOVRT-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725176173 1425692210 /nfs/dbraw/zinc/69/22/10/1425692210.db2.gz XFJAQDIVJSSCES-XITLMJRVSA-N 2 0 342.487 3.439 10 0 EGAERP C[NH+](CCC(=O)NCC[N@@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C1CCCCC1 ZINC001690965299 1404873917 /nfs/dbraw/zinc/87/39/17/1404873917.db2.gz YTWXZTIWUBGEQG-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC/C=C/c1ccccc1 ZINC001690998572 1404915368 /nfs/dbraw/zinc/91/53/68/1404915368.db2.gz NDBKOYDOTYXWRI-BLRGSVSVSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC)CC1CCC2(CC2)CC1 ZINC001691022157 1404935861 /nfs/dbraw/zinc/93/58/61/1404935861.db2.gz OMEYNZDQLDKUEH-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+](C)C1CCCC1)CC1CCCC1 ZINC001691028586 1404938229 /nfs/dbraw/zinc/93/82/29/1404938229.db2.gz CVNFJFDQTNOWCY-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001691075105 1405008466 /nfs/dbraw/zinc/00/84/66/1405008466.db2.gz OHIVYVZOPMHXSI-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001691083667 1405017393 /nfs/dbraw/zinc/01/73/93/1405017393.db2.gz ZCPFGTQJLMHXPZ-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001691114758 1405055530 /nfs/dbraw/zinc/05/55/30/1405055530.db2.gz VMTMOHWBCGUQSD-MAEOIBBWSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001691117026 1405058546 /nfs/dbraw/zinc/05/85/46/1405058546.db2.gz GNELAIHVHHCXRQ-QRVBRYPASA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CC2CC(C)(C)C2)C2CC2)C1 ZINC001691220722 1405161041 /nfs/dbraw/zinc/16/10/41/1405161041.db2.gz FCQVYNKCPLRYDI-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001691275233 1405187358 /nfs/dbraw/zinc/18/73/58/1405187358.db2.gz NKAQYJCDVGIHIR-GUDVDZBRSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001691428512 1405261829 /nfs/dbraw/zinc/26/18/29/1405261829.db2.gz NZEKZRPJZBQIIL-YFNPGVAHSA-N 2 0 349.563 3.290 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC3CC3)[C@H]2C1(C)C ZINC001691428694 1405262816 /nfs/dbraw/zinc/26/28/16/1405262816.db2.gz PPLUQPRABHNGDR-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001691458025 1405280578 /nfs/dbraw/zinc/28/05/78/1405280578.db2.gz HODXVSGSZXXHBR-FRYIKTPZSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001691476638 1405293200 /nfs/dbraw/zinc/29/32/00/1405293200.db2.gz NYWIPRJCHHEHGU-UHFFFAOYSA-N 2 0 347.547 3.336 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001691633162 1405370233 /nfs/dbraw/zinc/37/02/33/1405370233.db2.gz XNPRRJUXYCXXQB-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001691633910 1405371410 /nfs/dbraw/zinc/37/14/10/1405371410.db2.gz LLHYWSLQBNXDPI-OTWHNJEPSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001691687829 1405422580 /nfs/dbraw/zinc/42/25/80/1405422580.db2.gz XBEOSINMHMTKHU-SFHVURJKSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001691691752 1405426324 /nfs/dbraw/zinc/42/63/24/1405426324.db2.gz DNRLBUPQXCNWAR-PXNSSMCTSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)[C@@H]1CC[NH2+]CC1CCC1 ZINC001691731647 1405454695 /nfs/dbraw/zinc/45/46/95/1405454695.db2.gz DXCMTEBCNWIUJR-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001691789975 1405499796 /nfs/dbraw/zinc/49/97/96/1405499796.db2.gz GLNLOIJBXUOHQI-SJORKVTESA-N 2 0 349.494 3.151 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001691796715 1405507679 /nfs/dbraw/zinc/50/76/79/1405507679.db2.gz MQDXNOZLANLOLM-FXAWDEMLSA-N 2 0 349.494 3.056 10 0 EGAERP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001691831957 1405545730 /nfs/dbraw/zinc/54/57/30/1405545730.db2.gz KRXYGVCBVIVNFT-HSALFYBXSA-N 2 0 349.563 3.362 10 0 EGAERP CCCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691864891 1405584866 /nfs/dbraw/zinc/58/48/66/1405584866.db2.gz WHSFNHJPNUYGII-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CCC[NH2+]CC1CC1 ZINC001691901491 1405624831 /nfs/dbraw/zinc/62/48/31/1405624831.db2.gz RLPUNQNWCRQJPR-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691961359 1405678910 /nfs/dbraw/zinc/67/89/10/1405678910.db2.gz IREDPWTWUIVNPY-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001691989754 1405703191 /nfs/dbraw/zinc/70/31/91/1405703191.db2.gz MZHIXEJLZNPQEL-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001692010916 1405728988 /nfs/dbraw/zinc/72/89/88/1405728988.db2.gz ZUYWAJSROPYQLJ-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692012653 1405731384 /nfs/dbraw/zinc/73/13/84/1405731384.db2.gz IEMALARPSNZEPP-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C[NH+](C)CCC(C)C)CC1 ZINC001692013663 1405733548 /nfs/dbraw/zinc/73/35/48/1405733548.db2.gz MBOMOKDXDLZJBC-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001692021252 1405739657 /nfs/dbraw/zinc/73/96/57/1405739657.db2.gz WONBYRQBAVRLGU-SREVYHEPSA-N 2 0 349.563 3.388 10 0 EGAERP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001731749115 1427842583 /nfs/dbraw/zinc/84/25/83/1427842583.db2.gz ICWYCLNIWJKNCV-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001692121784 1405784107 /nfs/dbraw/zinc/78/41/07/1405784107.db2.gz YGNRZZNMBZYICU-SFHVURJKSA-N 2 0 335.536 3.166 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(C)C)C1 ZINC001692121738 1405784177 /nfs/dbraw/zinc/78/41/77/1405784177.db2.gz XJQGIGZGQAYVOC-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001692251782 1405876137 /nfs/dbraw/zinc/87/61/37/1405876137.db2.gz BOAINOQVYIKATA-OALUTQOASA-N 2 0 335.536 3.140 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001692257570 1405884431 /nfs/dbraw/zinc/88/44/31/1405884431.db2.gz JCCQVSCXXAWWHU-GLCUZYPYSA-N 2 0 349.563 3.388 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001698574829 1406181935 /nfs/dbraw/zinc/18/19/35/1406181935.db2.gz GBOXWVAHAORAHH-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001698581820 1406193761 /nfs/dbraw/zinc/19/37/61/1406193761.db2.gz OLBBRWGTAWMTCI-XSAZBNQGSA-N 2 0 335.536 3.138 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732070532 1428319315 /nfs/dbraw/zinc/31/93/15/1428319315.db2.gz HTTFUCZIJJYZEN-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732071361 1428319798 /nfs/dbraw/zinc/31/97/98/1428319798.db2.gz MAIRYWSQQVNGSU-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732071360 1428320044 /nfs/dbraw/zinc/32/00/44/1428320044.db2.gz MAIRYWSQQVNGSU-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC2CCC2)C1 ZINC001732084716 1428344100 /nfs/dbraw/zinc/34/41/00/1428344100.db2.gz SZTRSQWMHMNSKD-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc([C@H](C)[NH+](C)C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001732085038 1428344122 /nfs/dbraw/zinc/34/41/22/1428344122.db2.gz YGVVQEKXPOYYPY-RBUKOAKNSA-N 2 0 345.531 3.177 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001732088452 1428351413 /nfs/dbraw/zinc/35/14/13/1428351413.db2.gz LZBXTZQKVLDWRR-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1cc(C)cc(C)c1 ZINC001732206838 1428456034 /nfs/dbraw/zinc/45/60/34/1428456034.db2.gz CTNWFGHBFVVDEF-IHPCNDPISA-N 2 0 345.531 3.018 10 0 EGAERP CCC(CC)C[NH2+][C@@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732213334 1428461586 /nfs/dbraw/zinc/46/15/86/1428461586.db2.gz YBWZDUSIBMHMNE-QFBILLFUSA-N 2 0 343.531 3.120 10 0 EGAERP CCC[NH2+]C[C@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@H]1C ZINC001732258264 1428498975 /nfs/dbraw/zinc/49/89/75/1428498975.db2.gz CPRQKKPWZNJOEN-DYESRHJHSA-N 2 0 345.531 3.427 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001732391709 1428560778 /nfs/dbraw/zinc/56/07/78/1428560778.db2.gz DQCRQVJCXBXDTN-OOFWQKGWSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@H](C)C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001732405603 1428568754 /nfs/dbraw/zinc/56/87/54/1428568754.db2.gz UEBVWUJXJVCEGG-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001732441615 1428582466 /nfs/dbraw/zinc/58/24/66/1428582466.db2.gz APWPQMALWFRSOE-QUCCMNQESA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732459934 1428592206 /nfs/dbraw/zinc/59/22/06/1428592206.db2.gz NCPNCGDIHRNQKR-ZWKOTPCHSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001732466024 1428595883 /nfs/dbraw/zinc/59/58/83/1428595883.db2.gz HCUGOZGGNFMREB-LJQANCHMSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732467463 1428597115 /nfs/dbraw/zinc/59/71/15/1428597115.db2.gz XYIXFNDEEVWEDZ-BZSNNMDCSA-N 2 0 339.568 3.273 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CCCCC1 ZINC001732476661 1428602717 /nfs/dbraw/zinc/60/27/17/1428602717.db2.gz GRJJBGFXSDQIRD-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001732499720 1428621038 /nfs/dbraw/zinc/62/10/38/1428621038.db2.gz NMZZGTYBYSDLLJ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC=C(C)C)C1 ZINC001732513497 1428632471 /nfs/dbraw/zinc/63/24/71/1428632471.db2.gz WVGCDEPDJVMPNM-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F ZINC001732520084 1428638779 /nfs/dbraw/zinc/63/87/79/1428638779.db2.gz XOXUMOHWIJTFPD-SFHVURJKSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699105097 1412512404 /nfs/dbraw/zinc/51/24/04/1412512404.db2.gz BPEANODUIUOQJW-SJLPKXTDSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](CC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699125002 1412522176 /nfs/dbraw/zinc/52/21/76/1412522176.db2.gz CYSIPXFPSFLWBJ-HOTGVXAUSA-N 2 0 349.494 3.246 10 0 EGAERP CCc1cccc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001699127040 1412522791 /nfs/dbraw/zinc/52/27/91/1412522791.db2.gz ROKMESIXFGAJQL-QGZVFWFLSA-N 2 0 345.531 3.108 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699220408 1412584961 /nfs/dbraw/zinc/58/49/61/1412584961.db2.gz TUBHCQUEGPHDJG-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1)c1cccc(Cl)c1 ZINC001699268270 1412605628 /nfs/dbraw/zinc/60/56/28/1412605628.db2.gz VLSBULBAHWKXHE-NHZBNJEXSA-N 2 0 349.906 3.147 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001699294649 1412620744 /nfs/dbraw/zinc/62/07/44/1412620744.db2.gz BNLMEPQCKXEWDP-LQYUOIDQSA-N 2 0 349.906 3.005 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001699333872 1412645191 /nfs/dbraw/zinc/64/51/91/1412645191.db2.gz CDEQZMTTZAAMPZ-LGZALOBFSA-N 2 0 349.906 3.005 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C/C[NH2+]CCC(C)(C)C)c1 ZINC001699345582 1412654361 /nfs/dbraw/zinc/65/43/61/1412654361.db2.gz PTKQKXCFUOPWII-VOTSOKGWSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699380211 1412688974 /nfs/dbraw/zinc/68/89/74/1412688974.db2.gz DCKULLJNZIYDLR-BEFAXECRSA-N 2 0 343.531 3.120 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CC2CCCCC2)C1 ZINC001699461256 1412815316 /nfs/dbraw/zinc/81/53/16/1412815316.db2.gz ICRADLCYBJPNQQ-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699509210 1412897805 /nfs/dbraw/zinc/89/78/05/1412897805.db2.gz LJLCLQZQLSYECA-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccccc1C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699539214 1412912907 /nfs/dbraw/zinc/91/29/07/1412912907.db2.gz KCXCBMXJJUGFBV-IBGZPJMESA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001699604096 1412967091 /nfs/dbraw/zinc/96/70/91/1412967091.db2.gz CYLUYAXYOVXHDP-ROUUACIJSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001699607354 1412971024 /nfs/dbraw/zinc/97/10/24/1412971024.db2.gz QVEKTFZPZOVBSX-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)CC1 ZINC001699762272 1413168061 /nfs/dbraw/zinc/16/80/61/1413168061.db2.gz PDTLJMXSPUAGHZ-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001699852947 1413282970 /nfs/dbraw/zinc/28/29/70/1413282970.db2.gz CVUVUNGWLOFEIU-HXUWFJFHSA-N 2 0 335.536 3.047 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001699863615 1413299276 /nfs/dbraw/zinc/29/92/76/1413299276.db2.gz CBDXASSCFLAXHX-HDICACEKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001699868510 1413311837 /nfs/dbraw/zinc/31/18/37/1413311837.db2.gz MRTHLNLRMQJQKJ-CTNGQTDRSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]([NH2+]CCC1CC1)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699939962 1413383613 /nfs/dbraw/zinc/38/36/13/1413383613.db2.gz HQMNIRGGBBSBFV-WMZOPIPTSA-N 2 0 349.563 3.266 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001699962960 1413403635 /nfs/dbraw/zinc/40/36/35/1413403635.db2.gz JJVNRZUIIAMVSH-YZPMEYCISA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001699978949 1413424152 /nfs/dbraw/zinc/42/41/52/1413424152.db2.gz IKZOGNGZKDGXOI-VAMGGRTRSA-N 2 0 349.563 3.339 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)CC1 ZINC001699981559 1413427568 /nfs/dbraw/zinc/42/75/68/1413427568.db2.gz JCFBBSPGPWBYBG-MXVIHJGJSA-N 2 0 349.563 3.031 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@@H]1C[NH2+]CC1CCC1 ZINC001732546985 1428723952 /nfs/dbraw/zinc/72/39/52/1428723952.db2.gz YWYSLCHKNSCFLZ-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001700018266 1413464912 /nfs/dbraw/zinc/46/49/12/1413464912.db2.gz XSGNNCXXQTXCMC-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001700203546 1413648330 /nfs/dbraw/zinc/64/83/30/1413648330.db2.gz SLPLHYJGSVIIQW-FUHWJXTLSA-N 2 0 346.519 3.139 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001700221411 1413668485 /nfs/dbraw/zinc/66/84/85/1413668485.db2.gz QKGAPFRXKHKUOO-SREVYHEPSA-N 2 0 335.536 3.045 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001700224927 1413676192 /nfs/dbraw/zinc/67/61/92/1413676192.db2.gz OBUMVJFHGGFLEG-CALCHBBNSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558624 1428746790 /nfs/dbraw/zinc/74/67/90/1428746790.db2.gz LQHHCISUTIEEBB-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccc(C)cc1)C(C)C ZINC001732558625 1428746936 /nfs/dbraw/zinc/74/69/36/1428746936.db2.gz LQHHCISUTIEEBB-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700284083 1413730476 /nfs/dbraw/zinc/73/04/76/1413730476.db2.gz TXDFDTKEZZODNU-RURPWVQCSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC001700294335 1413753301 /nfs/dbraw/zinc/75/33/01/1413753301.db2.gz QNZNBGNNRZUCIF-NQIIRXRSSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001700323945 1413791524 /nfs/dbraw/zinc/79/15/24/1413791524.db2.gz PHXOBKSZZFTJDT-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001700332963 1413813258 /nfs/dbraw/zinc/81/32/58/1413813258.db2.gz BQOWVJIFFCBVHE-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCCC1CCCC1 ZINC001732567988 1428761559 /nfs/dbraw/zinc/76/15/59/1428761559.db2.gz VLIXWWKGVZFYNW-IBGZPJMESA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[C@@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCC(C)(C)CC1 ZINC001732571243 1428766802 /nfs/dbraw/zinc/76/68/02/1428766802.db2.gz ACRCEXDSVNNQAR-GOSISDBHSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001700462549 1414064172 /nfs/dbraw/zinc/06/41/72/1414064172.db2.gz WSQJFRDATNBUTB-ZMGAVLDPSA-N 2 0 335.536 3.186 10 0 EGAERP CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700471647 1414088722 /nfs/dbraw/zinc/08/87/22/1414088722.db2.gz WXELZMINDCVBQR-QGZVFWFLSA-N 2 0 345.531 3.060 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001700522229 1414178253 /nfs/dbraw/zinc/17/82/53/1414178253.db2.gz YKZMIYMGJQBCGY-QZTJIDSGSA-N 2 0 337.552 3.458 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCC2)C1 ZINC001700530640 1414197185 /nfs/dbraw/zinc/19/71/85/1414197185.db2.gz GIZFPJYEJPWKBG-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001700545533 1414213313 /nfs/dbraw/zinc/21/33/13/1414213313.db2.gz JCQPZRXTOWPPRW-FDICQLOXSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001700548834 1414218219 /nfs/dbraw/zinc/21/82/19/1414218219.db2.gz DLEQKALVHGKEAD-ZYLKZGKVSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700550924 1414220894 /nfs/dbraw/zinc/22/08/94/1414220894.db2.gz PZNVIFHBZQTOTO-TUYSUELWSA-N 2 0 343.515 3.155 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC001732583114 1428791489 /nfs/dbraw/zinc/79/14/89/1428791489.db2.gz LQJURAQERMFGED-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP O=C(CCc1c[nH]cn1)N[C@H]1C[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001700635340 1414302461 /nfs/dbraw/zinc/30/24/61/1414302461.db2.gz ZYSYWJPIFCEIPA-UAPYVXQJSA-N 2 0 346.519 3.187 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001700662289 1414322003 /nfs/dbraw/zinc/32/20/03/1414322003.db2.gz OSJXGACQORRZQV-NLWGTHIKSA-N 2 0 345.531 3.018 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC([N@H+](C)CCC3CCCCC3)CC2)CC1 ZINC001700695462 1414351527 /nfs/dbraw/zinc/35/15/27/1414351527.db2.gz IYDIXOUXCCXXRG-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(F)c1 ZINC001700758376 1414431155 /nfs/dbraw/zinc/43/11/55/1414431155.db2.gz ABHJFQZIOMYQQX-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1 ZINC001700780637 1414463295 /nfs/dbraw/zinc/46/32/95/1414463295.db2.gz OBNYMRKXRCIGGS-QZTJIDSGSA-N 2 0 333.520 3.141 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC/C=C/c1ccccc1 ZINC001700880348 1414536000 /nfs/dbraw/zinc/53/60/00/1414536000.db2.gz GMZVGNMLNFSKLU-ZSGQJBBISA-N 2 0 343.515 3.011 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001700880965 1414537048 /nfs/dbraw/zinc/53/70/48/1414537048.db2.gz NRSIAOBDXGFICD-QZTJIDSGSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C)[NH+](C)C ZINC001700998961 1414649789 /nfs/dbraw/zinc/64/97/89/1414649789.db2.gz YPVIKPOXZQZWBY-MOPGFXCFSA-N 2 0 347.547 3.264 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001701010350 1414668723 /nfs/dbraw/zinc/66/87/23/1414668723.db2.gz YAUCWOBCPABCOM-KQPGTDLCSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001732701661 1428916462 /nfs/dbraw/zinc/91/64/62/1428916462.db2.gz ZISAWUNYFVKGNK-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cccc(C)c2)C1 ZINC001732719579 1428925621 /nfs/dbraw/zinc/92/56/21/1428925621.db2.gz MKSZTAAQUVEQOX-UYAOXDASSA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001732983039 1429110204 /nfs/dbraw/zinc/11/02/04/1429110204.db2.gz ZSPNHBRMPBYOCH-SJORKVTESA-N 2 0 331.504 3.061 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001732997374 1429120530 /nfs/dbraw/zinc/12/05/30/1429120530.db2.gz KBBRXCSXVDRQEZ-HNNXBMFYSA-N 2 0 349.544 3.408 10 0 EGAERP CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001707108062 1417204131 /nfs/dbraw/zinc/20/41/31/1417204131.db2.gz RFZZXWRCAWDFHW-DLBZAZTESA-N 2 0 342.487 3.321 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001707205170 1417244227 /nfs/dbraw/zinc/24/42/27/1417244227.db2.gz OFPRBHYKOAISBR-OYQYDDJWSA-N 2 0 349.563 3.434 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001707234858 1417256113 /nfs/dbraw/zinc/25/61/13/1417256113.db2.gz OWGFQVNRDHNIRS-GOSISDBHSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](c2ccccc2)N(C)C)[C@H]1C ZINC001707268416 1417275993 /nfs/dbraw/zinc/27/59/93/1417275993.db2.gz PPMBWXWALVVHBE-HOJAQTOUSA-N 2 0 345.531 3.449 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001707453546 1417356513 /nfs/dbraw/zinc/35/65/13/1417356513.db2.gz YNKHILQZUCTWJK-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713005163 1417559408 /nfs/dbraw/zinc/55/94/08/1417559408.db2.gz XVKSBUARYYQTHH-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713038583 1417589932 /nfs/dbraw/zinc/58/99/32/1417589932.db2.gz JJDAXDKMKZYHLK-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713061127 1417617480 /nfs/dbraw/zinc/61/74/80/1417617480.db2.gz SQPYAUFPNQIZFZ-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC1)[NH+]1CCCCC1 ZINC001713181819 1417756147 /nfs/dbraw/zinc/75/61/47/1417756147.db2.gz GNQVIAIARJSMPZ-RAFMOHDBSA-N 2 0 347.547 3.019 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713193673 1417765282 /nfs/dbraw/zinc/76/52/82/1417765282.db2.gz FIZMXENOHYSKAM-GNBUJSLZSA-N 2 0 349.563 3.312 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713196150 1417767360 /nfs/dbraw/zinc/76/73/60/1417767360.db2.gz NYCVUWIHBMFBEC-OKYOBFRVSA-N 2 0 337.552 3.026 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001713205345 1417775346 /nfs/dbraw/zinc/77/53/46/1417775346.db2.gz UWYLOOKWPYFURH-AHRSYUTCSA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001713208230 1417778863 /nfs/dbraw/zinc/77/88/63/1417778863.db2.gz GAYSLTGDBKHYSY-ZCNNSNEGSA-N 2 0 343.515 3.251 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713240741 1417826555 /nfs/dbraw/zinc/82/65/55/1417826555.db2.gz PFPORWBQAKDJDK-PSCPARJHSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001713242302 1417828422 /nfs/dbraw/zinc/82/84/22/1417828422.db2.gz OVHPXKUUEHSFSW-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001713263479 1417871748 /nfs/dbraw/zinc/87/17/48/1417871748.db2.gz PFKQGYVNZCUMOQ-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CCC(C)C ZINC001713272523 1417887605 /nfs/dbraw/zinc/88/76/05/1417887605.db2.gz WMVMKNXEOPRCAI-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001713288050 1417915244 /nfs/dbraw/zinc/91/52/44/1417915244.db2.gz CJZUVNBTTHLYCH-HLTKQCFESA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713292545 1417920150 /nfs/dbraw/zinc/92/01/50/1417920150.db2.gz FTXCJGFGTSVRLD-ACBHZAAOSA-N 2 0 335.536 3.090 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001713332670 1417957187 /nfs/dbraw/zinc/95/71/87/1417957187.db2.gz RCOZXGORVVCJHI-UYAOXDASSA-N 2 0 345.531 3.020 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713351629 1417970500 /nfs/dbraw/zinc/97/05/00/1417970500.db2.gz IWZMBRMQGGJPND-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713379025 1417989328 /nfs/dbraw/zinc/98/93/28/1417989328.db2.gz MWZKAMGKMYLPOE-JKCVZHOFSA-N 2 0 337.552 3.338 10 0 EGAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001713418739 1418042530 /nfs/dbraw/zinc/04/25/30/1418042530.db2.gz IPABKAFHSMRBSM-QZTJIDSGSA-N 2 0 335.536 3.236 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@H]2CCCNC(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC001713428449 1418055215 /nfs/dbraw/zinc/05/52/15/1418055215.db2.gz XKYLQXMJEOIDCJ-MSOLQXFVSA-N 2 0 349.544 3.012 10 0 EGAERP C[NH+](CC(=O)NCC[N@@H+](C)Cc1ccc(C2CC2)cc1)CC(C)(C)C ZINC001713467277 1418130473 /nfs/dbraw/zinc/13/04/73/1418130473.db2.gz HBJMHOLZUNOTHW-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001713469674 1418136117 /nfs/dbraw/zinc/13/61/17/1418136117.db2.gz VMJWMGWFJHLYQJ-GOSISDBHSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001713515545 1418250383 /nfs/dbraw/zinc/25/03/83/1418250383.db2.gz WVJQCLAXDDTGFN-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CCC1=CCCCC1 ZINC001713547937 1418321975 /nfs/dbraw/zinc/32/19/75/1418321975.db2.gz OPZYWPRUJSZRGV-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733122564 1429251212 /nfs/dbraw/zinc/25/12/12/1429251212.db2.gz VXNHZUUQDRLXEC-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001713681782 1418433561 /nfs/dbraw/zinc/43/35/61/1418433561.db2.gz MTNAEIRUOCTHSG-XLIONFOSSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001713689849 1418442646 /nfs/dbraw/zinc/44/26/46/1418442646.db2.gz XDRPISPYPKCUCB-RTBURBONSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC(C)C)c2ccccc2)C1 ZINC001713700307 1418457571 /nfs/dbraw/zinc/45/75/71/1418457571.db2.gz CQTANDOMMAHVCC-VQTJNVASSA-N 2 0 345.531 3.212 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001713705437 1418465478 /nfs/dbraw/zinc/46/54/78/1418465478.db2.gz YSIFZVBRFLLNDO-QUCCMNQESA-N 2 0 345.531 3.354 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713730666 1418517803 /nfs/dbraw/zinc/51/78/03/1418517803.db2.gz SBZMUDRPXGHFMC-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](CC)CC ZINC001713831106 1418630070 /nfs/dbraw/zinc/63/00/70/1418630070.db2.gz QDSIKXZZFOTIKI-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713896856 1418695023 /nfs/dbraw/zinc/69/50/23/1418695023.db2.gz LEARCDVUBYTRBV-VQTJNVASSA-N 2 0 349.563 3.386 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NCC1C[NH+](CC2CCCCCC2)C1 ZINC001713926293 1418718330 /nfs/dbraw/zinc/71/83/30/1418718330.db2.gz FDIOSOPZUGGCOW-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713949361 1418734037 /nfs/dbraw/zinc/73/40/37/1418734037.db2.gz NYWYESBWRVUMNF-KZNAEPCWSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001714019821 1418801197 /nfs/dbraw/zinc/80/11/97/1418801197.db2.gz HJGCJJSCWMIYEV-FQEVSTJZSA-N 2 0 349.563 3.077 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001714024795 1418809148 /nfs/dbraw/zinc/80/91/48/1418809148.db2.gz JHXGYKAVVKPMNB-MHJFOBGBSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714035987 1418824617 /nfs/dbraw/zinc/82/46/17/1418824617.db2.gz PGXDQAASWXZLMG-LSLCWXNRSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081033 1418874462 /nfs/dbraw/zinc/87/44/62/1418874462.db2.gz QVSFDQDGFFTKNZ-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714081408 1418875128 /nfs/dbraw/zinc/87/51/28/1418875128.db2.gz VAVZRRXAHDNHJY-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714086220 1418879568 /nfs/dbraw/zinc/87/95/68/1418879568.db2.gz JLQKWIMVIWPFTG-ZMBJWTFHSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001714097927 1418892390 /nfs/dbraw/zinc/89/23/90/1418892390.db2.gz FNESTVOYBDJOJK-YTQUADARSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCC(C)CC1 ZINC001714107614 1418907595 /nfs/dbraw/zinc/90/75/95/1418907595.db2.gz SFFJFSFTPDYPEI-KVZIAJEVSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001714110410 1418912109 /nfs/dbraw/zinc/91/21/09/1418912109.db2.gz CXKBQWXWDBERMB-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001714143417 1418945813 /nfs/dbraw/zinc/94/58/13/1418945813.db2.gz BRNGZBLYVJPMLG-RTBURBONSA-N 2 0 335.536 3.118 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001714144019 1418947397 /nfs/dbraw/zinc/94/73/97/1418947397.db2.gz ITGGQWYSIDBHQP-OALUTQOASA-N 2 0 335.536 3.118 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001714146576 1418951765 /nfs/dbraw/zinc/95/17/65/1418951765.db2.gz YLOGWIXSKJAIHF-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)(C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001714222523 1419017151 /nfs/dbraw/zinc/01/71/51/1419017151.db2.gz VGFYJUYCBXBNQR-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001733202590 1429307926 /nfs/dbraw/zinc/30/79/26/1429307926.db2.gz VXBILOKNXNXZMV-OXUXSNCKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CCCCCC1 ZINC001714268191 1419050057 /nfs/dbraw/zinc/05/00/57/1419050057.db2.gz QRNBIZAFAGDWNQ-AOIWGVFYSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001714313410 1419094098 /nfs/dbraw/zinc/09/40/98/1419094098.db2.gz JEHMRNJWOFFLHZ-NCXUSEDFSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccc(C[NH2+]C/C=C\Cl)cc1 ZINC001714323557 1419101967 /nfs/dbraw/zinc/10/19/67/1419101967.db2.gz LVCJXVYQBWYVFJ-YJQKKADKSA-N 2 0 349.906 3.018 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001714330784 1419110808 /nfs/dbraw/zinc/11/08/08/1419110808.db2.gz BSAVRRWVZLDEMA-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCC3CCC3)C2)C1 ZINC001714362419 1419123254 /nfs/dbraw/zinc/12/32/54/1419123254.db2.gz VELLNFXUGRUNQB-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001714380732 1419134048 /nfs/dbraw/zinc/13/40/48/1419134048.db2.gz VJBIMVPTFVEMOH-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714401036 1419144013 /nfs/dbraw/zinc/14/40/13/1419144013.db2.gz HYBWJJAPFSTFTO-ZWKOTPCHSA-N 2 0 337.552 3.458 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714421975 1419157648 /nfs/dbraw/zinc/15/76/48/1419157648.db2.gz DPDQEHFZVZHPRU-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CCCC(C)(C)C ZINC001714433250 1419165752 /nfs/dbraw/zinc/16/57/52/1419165752.db2.gz BDKWSKCVOPXOHD-MSOLQXFVSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001714434653 1419167426 /nfs/dbraw/zinc/16/74/26/1419167426.db2.gz CTQUOXAYXYTCFL-QZTJIDSGSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+](CC)CC ZINC001714449295 1419182281 /nfs/dbraw/zinc/18/22/81/1419182281.db2.gz QTXNTOMFICHXHL-WOJBJXKFSA-N 2 0 345.531 3.230 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001714510032 1419237452 /nfs/dbraw/zinc/23/74/52/1419237452.db2.gz FTUZQRDWLZOLRE-RBUKOAKNSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714516891 1419243882 /nfs/dbraw/zinc/24/38/82/1419243882.db2.gz JIEWZCFTYOBEIR-FZZLMOMWSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001714615814 1419377684 /nfs/dbraw/zinc/37/76/84/1419377684.db2.gz MQFFICMLTQNZBA-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714641271 1419412830 /nfs/dbraw/zinc/41/28/30/1419412830.db2.gz UQHCYZZNUBEJOK-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccc(C)c1 ZINC001714656125 1419437719 /nfs/dbraw/zinc/43/77/19/1419437719.db2.gz ICKKIMKQTWNZLT-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001714676203 1419468762 /nfs/dbraw/zinc/46/87/62/1419468762.db2.gz KWOJORPOUCMGPM-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)c(C)c1 ZINC001714764563 1419498670 /nfs/dbraw/zinc/49/86/70/1419498670.db2.gz SKVNNBPQNAGJCG-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001714779561 1419505525 /nfs/dbraw/zinc/50/55/25/1419505525.db2.gz DPOKAZKTSKWAQO-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714870509 1419600132 /nfs/dbraw/zinc/60/01/32/1419600132.db2.gz HXHJQCZCQIRPCU-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714894231 1419633559 /nfs/dbraw/zinc/63/35/59/1419633559.db2.gz DOWJQYPVZXJWPS-QUCCMNQESA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001714910106 1419655391 /nfs/dbraw/zinc/65/53/91/1419655391.db2.gz SSPTUQMWAODMFR-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001714910173 1419655452 /nfs/dbraw/zinc/65/54/52/1419655452.db2.gz VBIILVBEQCYIKW-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001714945367 1419688933 /nfs/dbraw/zinc/68/89/33/1419688933.db2.gz OUKWNQOZDYWQCP-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001714980305 1419714818 /nfs/dbraw/zinc/71/48/18/1419714818.db2.gz VBOXVIIYJQYDGY-UXHICEINSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001715094493 1419835291 /nfs/dbraw/zinc/83/52/91/1419835291.db2.gz PMZAPCYKRZLJMN-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CCC2=CCCCC2)CCCC1)[NH+](C)C ZINC001715094818 1419835659 /nfs/dbraw/zinc/83/56/59/1419835659.db2.gz QWGGNMRLNKDHEC-GOSISDBHSA-N 2 0 335.536 3.236 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001715149978 1419894664 /nfs/dbraw/zinc/89/46/64/1419894664.db2.gz RMTYGQUTGHINRJ-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](CC[NH2+]CC3CC3)C2)CCCCC1 ZINC001715151732 1419896451 /nfs/dbraw/zinc/89/64/51/1419896451.db2.gz SYUIRGURYIZTNX-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157004 1419899668 /nfs/dbraw/zinc/89/96/68/1419899668.db2.gz SZPHUWBPGYBWGM-AZUAARDMSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157005 1419899982 /nfs/dbraw/zinc/89/99/82/1419899982.db2.gz SZPHUWBPGYBWGM-ICSRJNTNSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715162051 1419903328 /nfs/dbraw/zinc/90/33/28/1419903328.db2.gz QLRIDTKGSTUFBB-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001715169226 1419907517 /nfs/dbraw/zinc/90/75/17/1419907517.db2.gz BAFIPZKRXJIMGN-UHFFFAOYSA-N 2 0 337.533 3.052 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CC(C)C2)CC1 ZINC001715171324 1419908817 /nfs/dbraw/zinc/90/88/17/1419908817.db2.gz SNVTVOXBBIXAEN-LYBXBRPPSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001715174874 1419910850 /nfs/dbraw/zinc/91/08/50/1419910850.db2.gz DCPDNRRVRMWCED-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001715190984 1419922941 /nfs/dbraw/zinc/92/29/41/1419922941.db2.gz XDSRALDCDSMFSM-MKXGPGLRSA-N 2 0 349.563 3.457 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001715203466 1419936983 /nfs/dbraw/zinc/93/69/83/1419936983.db2.gz IPIDBNBRLPXOSL-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715321033 1420028804 /nfs/dbraw/zinc/02/88/04/1420028804.db2.gz MPICRFHXLOWGPN-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]CC1CCCC1 ZINC001715483773 1420163605 /nfs/dbraw/zinc/16/36/05/1420163605.db2.gz ZQYXRNPWEPMXSO-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001715508444 1420192010 /nfs/dbraw/zinc/19/20/10/1420192010.db2.gz QJEPXDKSXFQPLC-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CC2)C1 ZINC001733254397 1429404126 /nfs/dbraw/zinc/40/41/26/1429404126.db2.gz WDXQZWRYIMRHPK-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715735938 1420318464 /nfs/dbraw/zinc/31/84/64/1420318464.db2.gz XQJHCYVHSYAYFT-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715735977 1420318626 /nfs/dbraw/zinc/31/86/26/1420318626.db2.gz YTDQZWDPWDTVQI-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001715816589 1420354985 /nfs/dbraw/zinc/35/49/85/1420354985.db2.gz JGFXGNONVUFHRC-FPLPWBNLSA-N 2 0 347.547 3.403 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CC(C)(C)C1)c1ccccc1 ZINC001715955172 1420421167 /nfs/dbraw/zinc/42/11/67/1420421167.db2.gz SANXJWOZSVMSKC-APWZRJJASA-N 2 0 345.531 3.210 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001716009701 1420463395 /nfs/dbraw/zinc/46/33/95/1420463395.db2.gz SXJCYZKBSBWALC-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716028835 1420486569 /nfs/dbraw/zinc/48/65/69/1420486569.db2.gz KYWSIXMXVZSPFB-SQGPQFPESA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001716029191 1420487472 /nfs/dbraw/zinc/48/74/72/1420487472.db2.gz GBKHPYCPDINLDS-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001716048804 1420512345 /nfs/dbraw/zinc/51/23/45/1420512345.db2.gz FQCOAYOKHOIRDJ-KAGICYHLSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@@H]21 ZINC001716053328 1420517905 /nfs/dbraw/zinc/51/79/05/1420517905.db2.gz JPPOPNVXJYYAGV-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001716076472 1420530571 /nfs/dbraw/zinc/53/05/71/1420530571.db2.gz ZJKFWRLKQSSQIM-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716140795 1420539188 /nfs/dbraw/zinc/53/91/88/1420539188.db2.gz BZYBVPCBWMQCRL-LZLYRXPVSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+](C)C)c(C)c1C ZINC001716170169 1420549514 /nfs/dbraw/zinc/54/95/14/1420549514.db2.gz DURAZCLCEQIJQC-CQSZACIVSA-N 2 0 347.547 3.165 10 0 EGAERP C[C@H](CC[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)CC[NH+](C)C ZINC001716172895 1420550869 /nfs/dbraw/zinc/55/08/69/1420550869.db2.gz VUCLJFMYXCVXGA-IAGOWNOFSA-N 2 0 347.547 3.481 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001716255109 1420584833 /nfs/dbraw/zinc/58/48/33/1420584833.db2.gz HVXLKLOOIFDEGY-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001716351024 1420614989 /nfs/dbraw/zinc/61/49/89/1420614989.db2.gz RLFWWONIMUWVDK-WRFKIARRSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001716441176 1420661244 /nfs/dbraw/zinc/66/12/44/1420661244.db2.gz JOVPVQRAHXWAEY-LNLFQRSKSA-N 2 0 333.520 3.045 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001716459672 1420673175 /nfs/dbraw/zinc/67/31/75/1420673175.db2.gz RRXQBCVSMXXAEJ-PXNSSMCTSA-N 2 0 343.515 3.274 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716489106 1420709884 /nfs/dbraw/zinc/70/98/84/1420709884.db2.gz AWBQGGYNSXENOY-KRWDZBQOSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716521132 1420749237 /nfs/dbraw/zinc/74/92/37/1420749237.db2.gz IBMASICFCTWWLU-UXHICEINSA-N 2 0 349.563 3.338 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([C@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001716703644 1420857133 /nfs/dbraw/zinc/85/71/33/1420857133.db2.gz DMTVFICENHRDPT-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001716723328 1420880967 /nfs/dbraw/zinc/88/09/67/1420880967.db2.gz DSLXCDVVLTWHAR-HXUWFJFHSA-N 2 0 337.552 3.223 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001716731546 1420890097 /nfs/dbraw/zinc/89/00/97/1420890097.db2.gz OCXRYWNYMPSCAW-CNTHDYSMSA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@H](C)C1 ZINC001716767756 1420912947 /nfs/dbraw/zinc/91/29/47/1420912947.db2.gz PMYOPNVDOJTNSM-NHQAVIFJSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001716781839 1420919314 /nfs/dbraw/zinc/91/93/14/1420919314.db2.gz LBZIEWLEPLDPHM-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716783189 1420920312 /nfs/dbraw/zinc/92/03/12/1420920312.db2.gz DLFSYUPGGGTYDL-OALUTQOASA-N 2 0 335.536 3.164 10 0 EGAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001716877579 1421002978 /nfs/dbraw/zinc/00/29/78/1421002978.db2.gz CIXYOBWPGVDXJG-FQEVSTJZSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001716968693 1421056335 /nfs/dbraw/zinc/05/63/35/1421056335.db2.gz DMOLBNRGCZPOBU-ZWKOTPCHSA-N 2 0 339.568 3.227 10 0 EGAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001716984634 1421061461 /nfs/dbraw/zinc/06/14/61/1421061461.db2.gz MAGYDAQYRXVZOP-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001716984635 1421061615 /nfs/dbraw/zinc/06/16/15/1421061615.db2.gz MAGYDAQYRXVZOP-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001716984754 1421061679 /nfs/dbraw/zinc/06/16/79/1421061679.db2.gz OCQWMARACWMSHL-OALUTQOASA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001716999389 1421068876 /nfs/dbraw/zinc/06/88/76/1421068876.db2.gz CDHFHFKMSMOVGQ-VUEZREPRSA-N 2 0 347.547 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001717035753 1421089641 /nfs/dbraw/zinc/08/96/41/1421089641.db2.gz AALLVGNFFQBZQA-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717036873 1421090910 /nfs/dbraw/zinc/09/09/10/1421090910.db2.gz HEMVJZYMGHSVMN-ROUUACIJSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001717038094 1421092513 /nfs/dbraw/zinc/09/25/13/1421092513.db2.gz NNBYSTQQXLIGKH-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001717039089 1421093995 /nfs/dbraw/zinc/09/39/95/1421093995.db2.gz SWKUCPKMKINTNY-BZSNNMDCSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001717041009 1421095550 /nfs/dbraw/zinc/09/55/50/1421095550.db2.gz RDAZAIHKRLDQQA-UIJPIBLASA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001717103258 1421111004 /nfs/dbraw/zinc/11/10/04/1421111004.db2.gz YGZUWNZOFHDTRR-HKUYNNGSSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCCC2)cc1 ZINC001717118378 1421122974 /nfs/dbraw/zinc/12/29/74/1421122974.db2.gz VBTOKRJARZRYGR-QGZVFWFLSA-N 2 0 345.531 3.484 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCCCCC2)CC1 ZINC001717123063 1421125698 /nfs/dbraw/zinc/12/56/98/1421125698.db2.gz SECDLXPCTCNUBE-WGSAOQKQSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCCC[N@@H+]3CC)C2)CC1 ZINC001717130137 1421130972 /nfs/dbraw/zinc/13/09/72/1421130972.db2.gz LKRLUHFYSHFKJQ-ZMBJWTFHSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001717201749 1421169694 /nfs/dbraw/zinc/16/96/94/1421169694.db2.gz GLWHIIXIOWHQTA-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](Cc2ccc(F)cc2)CC1 ZINC001717202146 1421170241 /nfs/dbraw/zinc/17/02/41/1421170241.db2.gz NJGGDAWMGOEAOX-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717238146 1421206496 /nfs/dbraw/zinc/20/64/96/1421206496.db2.gz KWJJAEXLSUCHIE-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717241349 1421209624 /nfs/dbraw/zinc/20/96/24/1421209624.db2.gz IERTZTMEDFCUMY-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCC(C)C)CC1)[NH+](CC)CC ZINC001717301606 1421243517 /nfs/dbraw/zinc/24/35/17/1421243517.db2.gz XGSAUERNIFLSFX-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001717309467 1421251961 /nfs/dbraw/zinc/25/19/61/1421251961.db2.gz NGSLHXBRKWLPOX-IHHMQQGQSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@H](C)C1 ZINC001717338817 1421276410 /nfs/dbraw/zinc/27/64/10/1421276410.db2.gz ATUAFCCBHHUUSP-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001717344786 1421284411 /nfs/dbraw/zinc/28/44/11/1421284411.db2.gz YKIJPQJXMHPXIE-WOJBJXKFSA-N 2 0 345.531 3.232 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717366046 1421300581 /nfs/dbraw/zinc/30/05/81/1421300581.db2.gz UPUXOZNXUUZKGS-GOSISDBHSA-N 2 0 337.552 3.364 10 0 EGAERP CC/C=C\CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001717367530 1421303401 /nfs/dbraw/zinc/30/34/01/1421303401.db2.gz MFPDWVJHTZPLPZ-OXUXSNCKSA-N 2 0 335.536 3.140 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1CC ZINC001717375891 1421317140 /nfs/dbraw/zinc/31/71/40/1421317140.db2.gz FXKYDMUUFQQJEC-RTBURBONSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001717428576 1421357968 /nfs/dbraw/zinc/35/79/68/1421357968.db2.gz ILEJZNOLSGROFU-HOTGVXAUSA-N 2 0 333.520 3.281 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001733295743 1429477497 /nfs/dbraw/zinc/47/74/97/1429477497.db2.gz BSIHFMKASATCLO-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001717447752 1421377489 /nfs/dbraw/zinc/37/74/89/1421377489.db2.gz TYSOGQKWLRPPAY-MHJFOBGBSA-N 2 0 349.563 3.432 10 0 EGAERP Cc1c(C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl)ccc2c[nH+]cn21 ZINC001717454533 1421383956 /nfs/dbraw/zinc/38/39/56/1421383956.db2.gz FQGSVZAENWSCIC-YVMONPNESA-N 2 0 348.878 3.083 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC001717473610 1421406391 /nfs/dbraw/zinc/40/63/91/1421406391.db2.gz UPIQPBNJBYEDJZ-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CC3=CCCCC3)CCCCC2)CC[N@@H+]1C ZINC001717523304 1421458907 /nfs/dbraw/zinc/45/89/07/1421458907.db2.gz MNHQQHYTIRRQHJ-IEBWSBKVSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001717537421 1421475495 /nfs/dbraw/zinc/47/54/95/1421475495.db2.gz DXADJFXZNHWISK-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CCc1ccccc1C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+](C)C ZINC001717537979 1421476467 /nfs/dbraw/zinc/47/64/67/1421476467.db2.gz CIUTVRKYBCDFHE-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccccc1F ZINC001717542753 1421483453 /nfs/dbraw/zinc/48/34/53/1421483453.db2.gz LISIWSRJVDYNCZ-GOSISDBHSA-N 2 0 349.494 3.027 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](CC2CCCCC2)CC1(C)C ZINC001717588343 1421516774 /nfs/dbraw/zinc/51/67/74/1421516774.db2.gz YLWRZVWQLMNLMD-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001717622535 1421531617 /nfs/dbraw/zinc/53/16/17/1421531617.db2.gz HWZHTBCOYFYSPG-IPMKNSEASA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001717649719 1421550242 /nfs/dbraw/zinc/55/02/42/1421550242.db2.gz VNDITVXEHVWABC-FNMLWVPJSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001717649664 1421550368 /nfs/dbraw/zinc/55/03/68/1421550368.db2.gz SZKUWJRUWQWASD-FHWLQOOXSA-N 2 0 337.552 3.170 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1cccc(C)c1 ZINC001717696518 1421570532 /nfs/dbraw/zinc/57/05/32/1421570532.db2.gz VLJPVAAQIFMUMI-UYAOXDASSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001717721694 1421590245 /nfs/dbraw/zinc/59/02/45/1421590245.db2.gz KQDUUMPWUCFPMI-QZTJIDSGSA-N 2 0 325.541 3.026 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001717738716 1421602625 /nfs/dbraw/zinc/60/26/25/1421602625.db2.gz QCAZHUNVQTYNCR-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717818666 1421637260 /nfs/dbraw/zinc/63/72/60/1421637260.db2.gz OXUGPDGREGHBPL-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001717852931 1421665023 /nfs/dbraw/zinc/66/50/23/1421665023.db2.gz FSOFYXCPLBEFPZ-HKUYNNGSSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001717860130 1421672483 /nfs/dbraw/zinc/67/24/83/1421672483.db2.gz HRCKEYXXZUTXSP-UYAOXDASSA-N 2 0 345.531 3.196 10 0 EGAERP CCCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878604 1421684407 /nfs/dbraw/zinc/68/44/07/1421684407.db2.gz YKMQUAZBSWCELD-QZTJIDSGSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001717948727 1421716087 /nfs/dbraw/zinc/71/60/87/1421716087.db2.gz XUOPYDANDVRRHH-CTWPCTMYSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001717960004 1421731838 /nfs/dbraw/zinc/73/18/38/1421731838.db2.gz UNISSUBSWOCQHU-DLBZAZTESA-N 2 0 325.541 3.170 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717983465 1421755868 /nfs/dbraw/zinc/75/58/68/1421755868.db2.gz GSDAHMIOTKDGRM-LXXRFIIISA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001733328601 1429513940 /nfs/dbraw/zinc/51/39/40/1429513940.db2.gz NPNZYOCUXRFGPS-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1)[NH+]1CCCCC1 ZINC001733342500 1429525810 /nfs/dbraw/zinc/52/58/10/1429525810.db2.gz YRRUGBSUEZICCZ-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001733352420 1429533668 /nfs/dbraw/zinc/53/36/68/1429533668.db2.gz OBOZPGCIGJJKIE-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP Cc1cc(C)cc(C[N@H+]2CC[C@](C)(NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001733412002 1429612614 /nfs/dbraw/zinc/61/26/14/1429612614.db2.gz KADVBMIJQVZURB-NRFANRHFSA-N 2 0 345.531 3.116 10 0 EGAERP CCCCCC[N@@H+]1CC[C@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001733415076 1429619074 /nfs/dbraw/zinc/61/90/74/1429619074.db2.gz ZRKHSCVQSNEDNJ-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC/C=C\c2ccccc2)C1 ZINC001733418151 1429623646 /nfs/dbraw/zinc/62/36/46/1429623646.db2.gz UYUQFBJFMAEDIS-UOMAQRANSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC/C=C\c2ccccc2)C1 ZINC001733418150 1429623693 /nfs/dbraw/zinc/62/36/93/1429623693.db2.gz UYUQFBJFMAEDIS-PRUHCIRGSA-N 2 0 343.515 3.011 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733439006 1429646810 /nfs/dbraw/zinc/64/68/10/1429646810.db2.gz WXSWCWYAOSWEAL-CTNGQTDRSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001733458965 1429680489 /nfs/dbraw/zinc/68/04/89/1429680489.db2.gz JTHDDRIPNGUNRS-WBWXQYNJSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)C1 ZINC001733463614 1429692995 /nfs/dbraw/zinc/69/29/95/1429692995.db2.gz BVFJHTCLYBWKDR-YLJYHZDGSA-N 2 0 348.535 3.243 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733469656 1429703955 /nfs/dbraw/zinc/70/39/55/1429703955.db2.gz YDYRAWQPFNLKPZ-NYPGBQQYSA-N 2 0 349.563 3.437 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001722954693 1424276096 /nfs/dbraw/zinc/27/60/96/1424276096.db2.gz OAJGGGZBNDUCNG-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP CN(CCC[NH2+]CC1CCCC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001723058832 1424294161 /nfs/dbraw/zinc/29/41/61/1424294161.db2.gz AUIUDWPGCGERPN-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001723383336 1424379678 /nfs/dbraw/zinc/37/96/78/1424379678.db2.gz BRJHCXDAXZAQDL-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001723609437 1424490995 /nfs/dbraw/zinc/49/09/95/1424490995.db2.gz PNOAOWAKAUHMAS-YJJPMGAVSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001723860416 1424589200 /nfs/dbraw/zinc/58/92/00/1424589200.db2.gz LZKXFAQXQZDTMV-IEBWSBKVSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733541110 1429746601 /nfs/dbraw/zinc/74/66/01/1429746601.db2.gz WZYXWXKHMAQLOR-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001724162179 1424698116 /nfs/dbraw/zinc/69/81/16/1424698116.db2.gz NHDBNLBQFAXWRP-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CC2CCCC2)C1 ZINC001724189029 1424721957 /nfs/dbraw/zinc/72/19/57/1424721957.db2.gz KJVTYOHNIWPWII-HXUWFJFHSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724240107 1424751229 /nfs/dbraw/zinc/75/12/29/1424751229.db2.gz QZKTYELJOVLPQD-QUCCMNQESA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001724325578 1424814564 /nfs/dbraw/zinc/81/45/64/1424814564.db2.gz YWESIKZMUBYCNR-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH+]1CCC([C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001724507757 1424883381 /nfs/dbraw/zinc/88/33/81/1424883381.db2.gz FZODFDDIPUHGBC-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC(C)C ZINC001724654316 1425018019 /nfs/dbraw/zinc/01/80/19/1425018019.db2.gz MCZRVOCVCJXASY-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001724753839 1425124315 /nfs/dbraw/zinc/12/43/15/1425124315.db2.gz ACZUIGHPZVCBBP-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724833211 1425179041 /nfs/dbraw/zinc/17/90/41/1425179041.db2.gz BXCXMSXDXRNNSN-XFHJGTJQSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001724843950 1425194426 /nfs/dbraw/zinc/19/44/26/1425194426.db2.gz NIAUMQXLENPZHH-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001724858237 1425234904 /nfs/dbraw/zinc/23/49/04/1425234904.db2.gz RIWAELPQBQPBLI-PMACEKPBSA-N 2 0 345.531 3.087 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC(C)C)CC1 ZINC001724883827 1425265748 /nfs/dbraw/zinc/26/57/48/1425265748.db2.gz KXPQEUCTADQKAN-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001724885866 1425269093 /nfs/dbraw/zinc/26/90/93/1425269093.db2.gz HCRLIECNCHOUFR-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001724963531 1425353276 /nfs/dbraw/zinc/35/32/76/1425353276.db2.gz PZHQQAKOXKGWSM-IBGZPJMESA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001724968102 1425363134 /nfs/dbraw/zinc/36/31/34/1425363134.db2.gz YADHPTQQQSEEKZ-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993940 1425399307 /nfs/dbraw/zinc/39/93/07/1425399307.db2.gz HJUWHEVGFCSKPQ-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001725029845 1425449613 /nfs/dbraw/zinc/44/96/13/1425449613.db2.gz HHHHMLOJAMKMRG-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCCC2CCC2)CC[N@@H+]1C ZINC001725038867 1425462140 /nfs/dbraw/zinc/46/21/40/1425462140.db2.gz AFYUOJGNYJEQDL-HSALFYBXSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)CC2CCCCC2)C1 ZINC001725180884 1425705547 /nfs/dbraw/zinc/70/55/47/1425705547.db2.gz VKVQDQVCHTVLRJ-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCCC1 ZINC001725226695 1425794778 /nfs/dbraw/zinc/79/47/78/1425794778.db2.gz CTCVOYFXGRBSFN-QZTJIDSGSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCC2)C1 ZINC001725237877 1425830754 /nfs/dbraw/zinc/83/07/54/1425830754.db2.gz ACTMQZZYLDKJQY-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001725290410 1425933645 /nfs/dbraw/zinc/93/36/45/1425933645.db2.gz FTGBTIQXGVKOHZ-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001725369337 1426019749 /nfs/dbraw/zinc/01/97/49/1426019749.db2.gz NEMNPXQYTPNKNR-IYARVYRRSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001725409044 1426053297 /nfs/dbraw/zinc/05/32/97/1426053297.db2.gz PVNOYSUNSXEYRI-IBGZPJMESA-N 2 0 345.531 3.101 10 0 EGAERP CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001725605917 1426262854 /nfs/dbraw/zinc/26/28/54/1426262854.db2.gz FCUQSQJKZAGRCZ-UYAOXDASSA-N 2 0 335.536 3.164 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001725655396 1426338555 /nfs/dbraw/zinc/33/85/55/1426338555.db2.gz KTFALYMVNWRHKZ-VQTJNVASSA-N 2 0 347.547 3.237 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001725664213 1426346309 /nfs/dbraw/zinc/34/63/09/1426346309.db2.gz PUCKJIMYUHXUPW-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001725776661 1426461101 /nfs/dbraw/zinc/46/11/01/1426461101.db2.gz IZSWTGYQTZAZNO-ABHNRTSZSA-N 2 0 337.552 3.265 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C2CC[NH+](CCC3CCCC3)CC2)CC1 ZINC001725798794 1426483389 /nfs/dbraw/zinc/48/33/89/1426483389.db2.gz YUAZEPJLYKZGCY-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001731294183 1427236327 /nfs/dbraw/zinc/23/63/27/1427236327.db2.gz PQVKGFJEPXTTGT-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001731294876 1427237452 /nfs/dbraw/zinc/23/74/52/1427237452.db2.gz CIXQVRGAISKHQP-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)Cc1ccccc1F ZINC001731324335 1427264930 /nfs/dbraw/zinc/26/49/30/1427264930.db2.gz YTBAACWMWRQUES-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001731353333 1427293493 /nfs/dbraw/zinc/29/34/93/1427293493.db2.gz LUNYBXZWZZTHDV-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001731402187 1427362786 /nfs/dbraw/zinc/36/27/86/1427362786.db2.gz JTIWOKAUCYVAIN-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731411005 1427377356 /nfs/dbraw/zinc/37/73/56/1427377356.db2.gz MOGPTELNODTUGQ-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001731460386 1427436768 /nfs/dbraw/zinc/43/67/68/1427436768.db2.gz BSJZLFRIVDGLDM-WGSAOQKQSA-N 2 0 347.547 3.070 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1 ZINC001731492115 1427466492 /nfs/dbraw/zinc/46/64/92/1427466492.db2.gz RIGMYYPJIAWZCW-KDURUIRLSA-N 2 0 335.536 3.070 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001731505255 1427489851 /nfs/dbraw/zinc/48/98/51/1427489851.db2.gz TUAWOQCGWZSIJS-WYNBNGFRSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001731506584 1427493252 /nfs/dbraw/zinc/49/32/52/1427493252.db2.gz FMYQVVDBZIHVLS-DLBZAZTESA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001731506871 1427494264 /nfs/dbraw/zinc/49/42/64/1427494264.db2.gz LRXFMZGSLKYSLZ-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001731520333 1427508107 /nfs/dbraw/zinc/50/81/07/1427508107.db2.gz XLJKHLXOEWKFCH-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001731536245 1427533816 /nfs/dbraw/zinc/53/38/16/1427533816.db2.gz NBZWGVBFNRSEAP-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001731544555 1427561089 /nfs/dbraw/zinc/56/10/89/1427561089.db2.gz WFFCNFYARQTHPK-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001731569797 1427610115 /nfs/dbraw/zinc/61/01/15/1427610115.db2.gz FQKHOZXAMDCIHE-GMKYLDQASA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)c2sccc2C[NH+](C)C)CC1 ZINC001731570323 1427610604 /nfs/dbraw/zinc/61/06/04/1427610604.db2.gz PVFMTCDDLNZUNL-UHFFFAOYSA-N 2 0 349.544 3.407 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001731621819 1427672225 /nfs/dbraw/zinc/67/22/25/1427672225.db2.gz HPPCKARFHVGMGM-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001731641272 1427700567 /nfs/dbraw/zinc/70/05/67/1427700567.db2.gz UEFGOEIYOPKGNZ-IRXDYDNUSA-N 2 0 341.499 3.335 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731663292 1427714987 /nfs/dbraw/zinc/71/49/87/1427714987.db2.gz PRGSHFKDIKGEIS-DKFQHHCZSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCCC(C)(C)C)C2)C1 ZINC001731710165 1427765386 /nfs/dbraw/zinc/76/53/86/1427765386.db2.gz DRVVOBYGQVNNIC-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001731788118 1427923867 /nfs/dbraw/zinc/92/38/67/1427923867.db2.gz SVXCUORBILJFKV-UZLBHIALSA-N 2 0 349.494 3.008 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001731795256 1427947673 /nfs/dbraw/zinc/94/76/73/1427947673.db2.gz DCUFNFZPBXMCEV-AZUAARDMSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001731829779 1428037966 /nfs/dbraw/zinc/03/79/66/1428037966.db2.gz SIFDWUMWCISIQZ-QZTJIDSGSA-N 2 0 349.544 3.012 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001731832366 1428043757 /nfs/dbraw/zinc/04/37/57/1428043757.db2.gz BFWNJQGWRXBEPF-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731840976 1428063281 /nfs/dbraw/zinc/06/32/81/1428063281.db2.gz IANGUQRCKNGPNM-ASIGSXEYSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001731843346 1428067125 /nfs/dbraw/zinc/06/71/25/1428067125.db2.gz VZAGDUPXWUWBEB-MGBKSAOESA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001731847745 1428073482 /nfs/dbraw/zinc/07/34/82/1428073482.db2.gz GTMFGEGXPFMITG-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001731885541 1428160994 /nfs/dbraw/zinc/16/09/94/1428160994.db2.gz PRGBBNVKVCGOSU-ROUUACIJSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001733603962 1429812767 /nfs/dbraw/zinc/81/27/67/1429812767.db2.gz RYAFMGQPBFCUID-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733652318 1429845697 /nfs/dbraw/zinc/84/56/97/1429845697.db2.gz KHUFJVXAZRKMQS-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001733683592 1429898498 /nfs/dbraw/zinc/89/84/98/1429898498.db2.gz FFTBIZGNPKUIGQ-DLBZAZTESA-N 2 0 343.515 3.095 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001733766146 1429988507 /nfs/dbraw/zinc/98/85/07/1429988507.db2.gz CBZLAPAOWJZIPJ-UYAOXDASSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001733782534 1430048915 /nfs/dbraw/zinc/04/89/15/1430048915.db2.gz JXGWCGHSLIKNGB-WOJBJXKFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001733783524 1430051794 /nfs/dbraw/zinc/05/17/94/1430051794.db2.gz ZPCNBVWELBPGON-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001733805471 1430075428 /nfs/dbraw/zinc/07/54/28/1430075428.db2.gz QOTPNPIWQTWLJZ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001733836119 1430108671 /nfs/dbraw/zinc/10/86/71/1430108671.db2.gz PIIWBPGUFWZHCN-GOSISDBHSA-N 2 0 343.515 3.150 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001733854093 1437688052 /nfs/dbraw/zinc/68/80/52/1437688052.db2.gz OBSILDKFABBPFB-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@@H](C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001733865348 1437693189 /nfs/dbraw/zinc/69/31/89/1437693189.db2.gz KFLGENMPUPVAHZ-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001733927490 1437740650 /nfs/dbraw/zinc/74/06/50/1437740650.db2.gz AZSXYSSZDBSOOH-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001733937046 1437751561 /nfs/dbraw/zinc/75/15/61/1437751561.db2.gz MDYQYVHYWFQBCI-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001733998256 1437792036 /nfs/dbraw/zinc/79/20/36/1437792036.db2.gz XLRLEJSKOWYHMS-SJORKVTESA-N 2 0 335.536 3.092 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001734003071 1437795421 /nfs/dbraw/zinc/79/54/21/1437795421.db2.gz NJGFNSQDXWBFOT-ROUUACIJSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1=CCCCC1 ZINC001734040460 1437828912 /nfs/dbraw/zinc/82/89/12/1437828912.db2.gz GOSOFPBFFQPPFF-FXAWDEMLSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)[C@@H]1CCc2ccccc21 ZINC001734053170 1437843361 /nfs/dbraw/zinc/84/33/61/1437843361.db2.gz JQJABECIDDGNRL-VQIMIIECSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(F)c1 ZINC001734057437 1437849092 /nfs/dbraw/zinc/84/90/92/1437849092.db2.gz GPHLZMLTUMRZEM-QFBILLFUSA-N 2 0 349.494 3.025 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001734064469 1437859488 /nfs/dbraw/zinc/85/94/88/1437859488.db2.gz BZVFSSUNDARVHK-CABCVRRESA-N 2 0 339.911 3.178 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001734197268 1437938408 /nfs/dbraw/zinc/93/84/08/1437938408.db2.gz OOECGPWKAYBJHT-JBVUFVISSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734230027 1437950889 /nfs/dbraw/zinc/95/08/89/1437950889.db2.gz RAXHDAFTDADBER-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001734291168 1438021295 /nfs/dbraw/zinc/02/12/95/1438021295.db2.gz ZSNNAEMHYJPAIY-AZUAARDMSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734346604 1438065676 /nfs/dbraw/zinc/06/56/76/1438065676.db2.gz LQOFKAIQHDJGJT-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP CCc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)cc1 ZINC001734401820 1438083210 /nfs/dbraw/zinc/08/32/10/1438083210.db2.gz CMXPIJCMNDSBKO-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001734444034 1438105583 /nfs/dbraw/zinc/10/55/83/1438105583.db2.gz UGDGRPJOIYOYEU-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001734447533 1438107936 /nfs/dbraw/zinc/10/79/36/1438107936.db2.gz ZQQRXJQMHXPETP-IRFCIJBXSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC(C)(C)C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001734554300 1438153175 /nfs/dbraw/zinc/15/31/75/1438153175.db2.gz HRUYDQCUMHUXBY-GOSISDBHSA-N 2 0 339.568 3.323 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC[NH+](C)[C@@H]1CCc2ccccc21)C(C)C ZINC001734554991 1438153895 /nfs/dbraw/zinc/15/38/95/1438153895.db2.gz VWPBVAKSAXPSKE-HXUWFJFHSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)N(CC[N@@H+](C)CC[C@@H](C)F)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001734554742 1438154118 /nfs/dbraw/zinc/15/41/18/1438154118.db2.gz ZLSVUGBZNPNZQC-QGZVFWFLSA-N 2 0 343.531 3.024 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001734574762 1438168251 /nfs/dbraw/zinc/16/82/51/1438168251.db2.gz DVDMNKHOTPZMMA-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001734576428 1438169354 /nfs/dbraw/zinc/16/93/54/1438169354.db2.gz OBBHMZZMWOYIRV-SJORKVTESA-N 2 0 325.541 3.029 10 0 EGAERP C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734587164 1438176991 /nfs/dbraw/zinc/17/69/91/1438176991.db2.gz HQEQXGKSFLLJBU-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001734610462 1438186803 /nfs/dbraw/zinc/18/68/03/1438186803.db2.gz BXNPMCCDEGCRNB-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@H](C)c2cccc(C)c2)CC1 ZINC001734636900 1438196655 /nfs/dbraw/zinc/19/66/55/1438196655.db2.gz QSJBSGQNGIAXBI-GOSISDBHSA-N 2 0 343.515 3.146 10 0 EGAERP [NH3+]C[C@H]1Cc2cc(F)cc(-c3ccc(C[NH+]4CCCC4)cc3)c2O1 ZINC000067541032 215159872 /nfs/dbraw/zinc/15/98/72/215159872.db2.gz IUICIQWPVCGMAV-GOSISDBHSA-N 2 0 326.415 3.351 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000265919020 283188446 /nfs/dbraw/zinc/18/84/46/283188446.db2.gz BOYYSAGWXLJDJL-FXAWDEMLSA-N 2 0 345.531 3.473 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccnc1 ZINC000075603024 216644716 /nfs/dbraw/zinc/64/47/16/216644716.db2.gz ORDIVRLXEFGLLF-UWJYYQICSA-N 2 0 339.483 3.178 10 0 EGAERP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccn3ccnc3c2)CC1 ZINC000095431015 218373368 /nfs/dbraw/zinc/37/33/68/218373368.db2.gz BVDMDJITSZWELF-UHFFFAOYSA-N 2 0 348.450 3.071 10 0 EGAERP CCn1cc(C[N@@H+]2CCCN(c3cc(C)[nH+]c4ccccc43)CC2)cn1 ZINC000112695468 220375735 /nfs/dbraw/zinc/37/57/35/220375735.db2.gz AHHPFDRMTNHRSJ-UHFFFAOYSA-N 2 0 349.482 3.472 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246928449 141044218 /nfs/dbraw/zinc/04/42/18/141044218.db2.gz GTZDCQWIPLVPJC-NQIIRXRSSA-N 2 0 344.547 3.004 10 0 EGAERP Cc1ccccc1NC(=O)CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000173307083 144038967 /nfs/dbraw/zinc/03/89/67/144038967.db2.gz RRIWUNRFMGBAOB-UHFFFAOYSA-N 2 0 329.488 3.131 10 0 EGAERP Cc1nocc1CN1CC[C@@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351508360 144271116 /nfs/dbraw/zinc/27/11/16/144271116.db2.gz HFMHHUXFUSOUAH-FQEVSTJZSA-N 2 0 325.456 3.471 10 0 EGAERP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000341222788 155213646 /nfs/dbraw/zinc/21/36/46/155213646.db2.gz SJNBPIZHRHWTIY-SFHVURJKSA-N 2 0 349.906 3.124 10 0 EGAERP CC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccc(Cl)cc1 ZINC000341222786 155212050 /nfs/dbraw/zinc/21/20/50/155212050.db2.gz SJNBPIZHRHWTIY-GOSISDBHSA-N 2 0 349.906 3.124 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000367620697 286291062 /nfs/dbraw/zinc/29/10/62/286291062.db2.gz QULIXGJITWEJFX-KZNAEPCWSA-N 2 0 346.515 3.444 10 0 EGAERP Cc1cc(-n2ccnc2)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000191943562 153232236 /nfs/dbraw/zinc/23/22/36/153232236.db2.gz BJXNQFJCBLULQW-UHFFFAOYSA-N 2 0 338.499 3.489 10 0 EGAERP O=C([C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000262627525 304389128 /nfs/dbraw/zinc/38/91/28/304389128.db2.gz CLEQIFGTVGCFEA-HAGHYFMRSA-N 2 0 347.547 3.022 10 0 EGAERP CCCN(C[C@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336707197 154211816 /nfs/dbraw/zinc/21/18/16/154211816.db2.gz MBPOVJHOFDNART-LEWJYISDSA-N 2 0 329.532 3.363 10 0 EGAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000337986499 154591673 /nfs/dbraw/zinc/59/16/73/154591673.db2.gz DJJDWHIOTHMHRP-RTWAWAEBSA-N 2 0 327.516 3.102 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349079166 156345965 /nfs/dbraw/zinc/34/59/65/156345965.db2.gz IOUZRZFQLQZZSK-FQEVSTJZSA-N 2 0 343.515 3.163 10 0 EGAERP c1cn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000248406296 163001398 /nfs/dbraw/zinc/00/13/98/163001398.db2.gz SFPINVGBBLVFFH-PWRODBHTSA-N 2 0 338.499 3.164 10 0 EGAERP C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248757661 163033095 /nfs/dbraw/zinc/03/30/95/163033095.db2.gz GHTDDUBFGSAVHU-ZAAXVRCTSA-N 2 0 332.488 3.235 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cccc(OCCOC)c2)CC1 ZINC000350217425 165019576 /nfs/dbraw/zinc/01/95/76/165019576.db2.gz HYKDCMSAKAOGLB-UHFFFAOYSA-N 2 0 334.504 3.266 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(Cc2cccnc2)CC1 ZINC000350393999 165040073 /nfs/dbraw/zinc/04/00/73/165040073.db2.gz QRXPBNNOAGQYLJ-UHFFFAOYSA-N 2 0 347.466 3.425 10 0 EGAERP COC(=O)c1sccc1CN1CCC(Oc2ccncc2C)CC1 ZINC000352341789 165352686 /nfs/dbraw/zinc/35/26/86/165352686.db2.gz KCUAIDQFSNAXLU-UHFFFAOYSA-N 2 0 346.452 3.282 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000355474637 166213971 /nfs/dbraw/zinc/21/39/71/166213971.db2.gz NACKYSIZMCFNEI-IAGOWNOFSA-N 2 0 348.535 3.145 10 0 EGAERP CCOC(=O)C[C@@](C)([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000359379095 167141093 /nfs/dbraw/zinc/14/10/93/167141093.db2.gz NFEDSQQDHAQQMW-LJQANCHMSA-N 2 0 344.459 3.033 10 0 EGAERP COc1ncccc1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367066818 168174793 /nfs/dbraw/zinc/17/47/93/168174793.db2.gz OIPKRACMVIREJS-OAHLLOKOSA-N 2 0 326.444 3.003 10 0 EGAERP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000367584803 168245063 /nfs/dbraw/zinc/24/50/63/168245063.db2.gz BTDHZMVTMFESKN-QRVBRYPASA-N 2 0 329.488 3.388 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000159218597 225173555 /nfs/dbraw/zinc/17/35/55/225173555.db2.gz SJTRYZGQYBREQC-HXUWFJFHSA-N 2 0 348.531 3.353 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000677854747 549344174 /nfs/dbraw/zinc/34/41/74/549344174.db2.gz ZGWZTJHAZCGBIM-IEBWSBKVSA-N 2 0 334.504 3.310 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC3 ZINC000123402151 222271474 /nfs/dbraw/zinc/27/14/74/222271474.db2.gz GJWBKDCOTGYLQE-MRXNPFEDSA-N 2 0 341.499 3.496 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268976241 266284520 /nfs/dbraw/zinc/28/45/20/266284520.db2.gz NQYFLUJRQCPJPG-AZUAARDMSA-N 2 0 330.516 3.429 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CCCC[NH+](C)C)c(Br)c1 ZINC000271860941 266740072 /nfs/dbraw/zinc/74/00/72/266740072.db2.gz KFUGIDOGEZVNQM-GFCCVEGCSA-N 2 0 329.282 3.450 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(C(=O)OC)sc2C)CC1 ZINC000362469601 276095467 /nfs/dbraw/zinc/09/54/67/276095467.db2.gz SKEOYYILFBLZSL-UHFFFAOYSA-N 2 0 338.517 3.397 10 0 EGAERP FC(F)(F)[C@H]1C[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000287788887 276157218 /nfs/dbraw/zinc/15/72/18/276157218.db2.gz SPTHVWGBBLYQAZ-DLBZAZTESA-N 2 0 342.405 3.482 10 0 EGAERP CC[N@@H+]1CC[C@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482721 276227997 /nfs/dbraw/zinc/22/79/97/276227997.db2.gz HGXVBNTWAUGRRR-LYAPFXNSSA-N 2 0 347.469 3.112 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3=O)cc2)[C@H](C)C1 ZINC000151043445 276230034 /nfs/dbraw/zinc/23/00/34/276230034.db2.gz HLDILWWRTLPLFS-APWZRJJASA-N 2 0 329.488 3.023 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000305754984 288107805 /nfs/dbraw/zinc/10/78/05/288107805.db2.gz FIDDHUJXRGDSPX-WCXIOVBPSA-N 2 0 339.524 3.094 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCCC[C@@H]1C1CC1 ZINC000344001144 289118831 /nfs/dbraw/zinc/11/88/31/289118831.db2.gz WRPUMRIIOIXBSS-MOPGFXCFSA-N 2 0 331.504 3.471 10 0 EGAERP COCCc1nc(C)c([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000414196280 309066212 /nfs/dbraw/zinc/06/62/12/309066212.db2.gz XFTLFETWAAVNTG-GFCCVEGCSA-N 2 0 330.457 3.139 10 0 EGAERP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199443 309066637 /nfs/dbraw/zinc/06/66/37/309066637.db2.gz XBABVFRFQMFNPA-IAGOWNOFSA-N 2 0 326.488 3.470 10 0 EGAERP Cc1ccncc1[C@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414293475 309071039 /nfs/dbraw/zinc/07/10/39/309071039.db2.gz BJLOZKMBSNFDFI-SFHVURJKSA-N 2 0 339.483 3.068 10 0 EGAERP Cc1ccncc1[C@@H](C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414293471 309071051 /nfs/dbraw/zinc/07/10/51/309071051.db2.gz BJLOZKMBSNFDFI-GOSISDBHSA-N 2 0 339.483 3.068 10 0 EGAERP OC1(C[NH2+][C@@H](C2CC2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294368 309071193 /nfs/dbraw/zinc/07/11/93/309071193.db2.gz CCHONJZIIBNJPT-HXUWFJFHSA-N 2 0 328.500 3.182 10 0 EGAERP Cc1cc(C[NH2+]CCN2CCC([NH+](C)C)CC2)ccc1C(F)(F)F ZINC000414373778 309076079 /nfs/dbraw/zinc/07/60/79/309076079.db2.gz ZWLPLCIHFMPMGO-UHFFFAOYSA-N 2 0 343.437 3.129 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414809151 309102870 /nfs/dbraw/zinc/10/28/70/309102870.db2.gz GFXHBYHZHMCQBR-GJZGRUSLSA-N 2 0 328.456 3.444 10 0 EGAERP Cc1cccc2c(NC3CC[NH+](C[C@@H]4CCOC4)CC3)cc[nH+]c12 ZINC000301642610 308708562 /nfs/dbraw/zinc/70/85/62/308708562.db2.gz BTQZBWUFLGYSRR-INIZCTEOSA-N 2 0 325.456 3.456 10 0 EGAERP CCc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cc1 ZINC000397501698 308904468 /nfs/dbraw/zinc/90/44/68/308904468.db2.gz AWPWPACOZMKIJC-UHFFFAOYSA-N 2 0 338.495 3.366 10 0 EGAERP C[C@H](CC[NH3+])[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414884952 309107105 /nfs/dbraw/zinc/10/71/05/309107105.db2.gz OPISLZLBIXAKDT-SNVBAGLBSA-N 2 0 340.290 3.400 10 0 EGAERP C[C@@H](CCc1ccccc1)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057227 309117191 /nfs/dbraw/zinc/11/71/91/309117191.db2.gz RLPQATDSRQZXBC-PELRDEGISA-N 2 0 329.532 3.061 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000415567274 309137166 /nfs/dbraw/zinc/13/71/66/309137166.db2.gz JPABNEGOJRTHOA-HNNXBMFYSA-N 2 0 340.471 3.132 10 0 EGAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccccc2C[NH2+]C)C1 ZINC000415908864 309147713 /nfs/dbraw/zinc/14/77/13/309147713.db2.gz DXHGXGFALUFMAU-MRXNPFEDSA-N 2 0 346.519 3.428 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417557426 309211034 /nfs/dbraw/zinc/21/10/34/309211034.db2.gz RKBXGXLQRZKHFB-VQIMIIECSA-N 2 0 346.519 3.160 10 0 EGAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418230746 309240391 /nfs/dbraw/zinc/24/03/91/309240391.db2.gz ASRJEJWJXXDENX-LPHOPBHVSA-N 2 0 346.519 3.016 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@H+](C[C@H]2CCCO2)C2CCCC2)cc1 ZINC000420314114 309281426 /nfs/dbraw/zinc/28/14/26/309281426.db2.gz YUEBCZSNKIIDBM-FXAWDEMLSA-N 2 0 332.488 3.161 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@H](C)[C@@H]2Cc3ccccc3O2)cc1 ZINC000420369811 309284489 /nfs/dbraw/zinc/28/44/89/309284489.db2.gz JASUVVIQBIQINH-FPDPHYFHSA-N 2 0 340.467 3.062 10 0 EGAERP Brc1cccc2c1OCC[C@@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420405025 309286694 /nfs/dbraw/zinc/28/66/94/309286694.db2.gz MRYRWXRZFFYGSQ-DOMZBBRYSA-N 2 0 339.277 3.252 10 0 EGAERP CCN1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420413184 309287028 /nfs/dbraw/zinc/28/70/28/309287028.db2.gz SUEIOKRWOFELNS-BVGQSLNGSA-N 2 0 339.886 3.204 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)C1CC(OC(C)(C)C)C1 ZINC000421377946 309321682 /nfs/dbraw/zinc/32/16/82/309321682.db2.gz UQJXCCIMFIYXKH-UHFFFAOYSA-N 2 0 328.460 3.354 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421866642 309344249 /nfs/dbraw/zinc/34/42/49/309344249.db2.gz BHBFVYHHRDRXDM-ZIFCJYIRSA-N 2 0 345.556 3.415 10 0 EGAERP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)C2 ZINC000422730442 309365467 /nfs/dbraw/zinc/36/54/67/309365467.db2.gz FAELMWNIPIXLNE-RCCFBDPRSA-N 2 0 333.545 3.007 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccccc1)c1ccccc1F ZINC000422775789 309367763 /nfs/dbraw/zinc/36/77/63/309367763.db2.gz CICICNNJIBNHKD-PXNSSMCTSA-N 2 0 330.447 3.453 10 0 EGAERP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422794389 309368588 /nfs/dbraw/zinc/36/85/88/309368588.db2.gz UGAOULMTBKFFNZ-IWMITWMQSA-N 2 0 340.467 3.204 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)NC1CC[NH+](C2CCCCC2)CC1 ZINC000422818231 309370189 /nfs/dbraw/zinc/37/01/89/309370189.db2.gz FSFYGKYYUFMQMB-HNNXBMFYSA-N 2 0 330.520 3.296 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cnccc1N ZINC000422827489 309370601 /nfs/dbraw/zinc/37/06/01/309370601.db2.gz NBEVKQQSLDXLTD-CQSZACIVSA-N 2 0 330.501 3.118 10 0 EGAERP COC1CCC(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422838979 309371200 /nfs/dbraw/zinc/37/12/00/309371200.db2.gz PJBBQJZJNMCGCT-BPCFOJMASA-N 2 0 330.472 3.037 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875331 309373227 /nfs/dbraw/zinc/37/32/27/309373227.db2.gz DTYJLRBCYFHNRS-QRVBRYPASA-N 2 0 341.524 3.317 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875329 309373334 /nfs/dbraw/zinc/37/33/34/309373334.db2.gz DTYJLRBCYFHNRS-CEXWTWQISA-N 2 0 341.524 3.317 10 0 EGAERP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422899083 309374998 /nfs/dbraw/zinc/37/49/98/309374998.db2.gz NQAYTCPHVPPKOQ-SLFFLAALSA-N 2 0 332.488 3.112 10 0 EGAERP CC[NH+]1CCN(c2ccccc2N[C@@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422921203 309376323 /nfs/dbraw/zinc/37/63/23/309376323.db2.gz NRIMHPMVADYCSH-AZUAARDMSA-N 2 0 336.483 3.385 10 0 EGAERP Cc1ccsc1CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012236 309380882 /nfs/dbraw/zinc/38/08/82/309380882.db2.gz CNPVVJJNHKPPAI-QFBILLFUSA-N 2 0 328.481 3.445 10 0 EGAERP CN(C)[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(C(F)(F)F)c1 ZINC000423045680 309382813 /nfs/dbraw/zinc/38/28/13/309382813.db2.gz DDWDGOJGEMQKMD-IMRCBTMISA-N 2 0 343.437 3.415 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423045225 309382838 /nfs/dbraw/zinc/38/28/38/309382838.db2.gz CPILCEMDVJTKDB-KUDFPVQQSA-N 2 0 338.499 3.020 10 0 EGAERP COc1ccc([C@H](NC[C@@H]2CCCC[N@@H+]2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423077110 309384705 /nfs/dbraw/zinc/38/47/05/309384705.db2.gz SMPFLBXBRYKTIT-JBACZVJFSA-N 2 0 343.515 3.095 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3c(F)cccc32)CC[NH2+]CC1 ZINC000423142947 309388252 /nfs/dbraw/zinc/38/82/52/309388252.db2.gz BWITWMCDAGAYEU-KBXCAEBGSA-N 2 0 348.462 3.114 10 0 EGAERP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1C ZINC000423158226 309388685 /nfs/dbraw/zinc/38/86/85/309388685.db2.gz CMJFLXGZMGKSLS-XRXFAXGQSA-N 2 0 330.516 3.107 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH3+])CCCCC2)CC1 ZINC000423185236 309389563 /nfs/dbraw/zinc/38/95/63/309389563.db2.gz UUWUUEGZSODPFR-GOSISDBHSA-N 3 0 329.532 3.333 10 0 EGAERP COc1ccc([C@H](NCc2ccc([C@H](C)[NH3+])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423290961 309394058 /nfs/dbraw/zinc/39/40/58/309394058.db2.gz GBSLBARUWQXWII-RVHYNSKXSA-N 2 0 339.483 3.298 10 0 EGAERP COC(=O)COc1ccccc1[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423295987 309394331 /nfs/dbraw/zinc/39/43/31/309394331.db2.gz YCPMEUNMELJRSV-CABCVRRESA-N 2 0 342.439 3.109 10 0 EGAERP CCc1ccc(C[C@H](Cc2ccc(Cl)cc2)[NH2+]CC2C[NH2+]C2)nc1 ZINC000423312804 309394738 /nfs/dbraw/zinc/39/47/38/309394738.db2.gz DQYLMAZEDNSKHD-FQEVSTJZSA-N 2 0 343.902 3.260 10 0 EGAERP Cn1ccc([C@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423330793 309395547 /nfs/dbraw/zinc/39/55/47/309395547.db2.gz NVCCGUDVMFENPE-QGZVFWFLSA-N 2 0 332.879 3.142 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423390764 309398482 /nfs/dbraw/zinc/39/84/82/309398482.db2.gz KKGDORYAFIBZQP-MPGHIAIKSA-N 2 0 332.492 3.209 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000423405425 309398955 /nfs/dbraw/zinc/39/89/55/309398955.db2.gz TXPJYGXMSUDDAN-UEKVPHQBSA-N 2 0 329.257 3.107 10 0 EGAERP C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487240 309402507 /nfs/dbraw/zinc/40/25/07/309402507.db2.gz TZBREYNNDFUFEU-KBPBESRZSA-N 2 0 333.867 3.104 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000423542903 309405719 /nfs/dbraw/zinc/40/57/19/309405719.db2.gz GXKAFSRLUOGVLO-JWUVWSEFSA-N 3 0 341.543 3.060 10 0 EGAERP CC(C)[N@H+](C)CCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449072136 310034731 /nfs/dbraw/zinc/03/47/31/310034731.db2.gz JPMJJOFQWKOAHQ-LJQANCHMSA-N 2 0 331.548 3.402 10 0 EGAERP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)[nH]n1 ZINC000449188267 310043167 /nfs/dbraw/zinc/04/31/67/310043167.db2.gz KAQBSXSLFDYOEA-AEFFLSMTSA-N 2 0 340.515 3.334 10 0 EGAERP COC1([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CCOCC1 ZINC000453063453 310255305 /nfs/dbraw/zinc/25/53/05/310255305.db2.gz DXHJMUYXYZKCHD-GOSISDBHSA-N 2 0 346.515 3.072 10 0 EGAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453360944 310272908 /nfs/dbraw/zinc/27/29/08/310272908.db2.gz UCYMSUSUIPXXJR-RZXSNQJFSA-N 2 0 338.499 3.136 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H](c2cccc(F)c2)[NH+](C)C)CCCCC1 ZINC000460289905 310581646 /nfs/dbraw/zinc/58/16/46/310581646.db2.gz RCVYZHIYTZBSOK-SFHVURJKSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490607030 311146472 /nfs/dbraw/zinc/14/64/72/311146472.db2.gz YPZBOCBBPHBMGV-GOSISDBHSA-N 2 0 341.503 3.071 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@@H]2CCC[C@@H]21 ZINC000513717476 312216627 /nfs/dbraw/zinc/21/66/27/312216627.db2.gz PBUVTFDXUFPALD-ACRUOGEOSA-N 2 0 341.543 3.286 10 0 EGAERP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OCC ZINC000514100446 312225061 /nfs/dbraw/zinc/22/50/61/312225061.db2.gz VZHDRQZIGKLBQI-GUDVDZBRSA-N 2 0 346.515 3.489 10 0 EGAERP Cc1c(CN(C)CC(C)(C)C[N@H+](C)Cc2ccccc2)cnn1C ZINC000514839403 312248386 /nfs/dbraw/zinc/24/83/86/312248386.db2.gz ZQPUDHXJLCMVPT-UHFFFAOYSA-N 2 0 328.504 3.319 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000525981456 312777171 /nfs/dbraw/zinc/77/71/71/312777171.db2.gz DKADNTORCHEYTP-NRFANRHFSA-N 2 0 331.548 3.434 10 0 EGAERP CN(c1ccccc1C[NH2+]CC[C@@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000527739364 312929526 /nfs/dbraw/zinc/92/95/26/312929526.db2.gz MQESTIHNHHBEDD-SFHVURJKSA-N 2 0 345.531 3.123 10 0 EGAERP Cc1cncn1CC(=O)Nc1ccc(C[N@H+]2CCCC[C@@H]2C)cc1 ZINC000528025636 313002340 /nfs/dbraw/zinc/00/23/40/313002340.db2.gz XOANRGKHSZRVJQ-HNNXBMFYSA-N 2 0 326.444 3.205 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CCC(C)([NH+]4CCOCC4)CC3)c2c1 ZINC000528189581 313036291 /nfs/dbraw/zinc/03/62/91/313036291.db2.gz MMKFWTYGXVXSQH-UHFFFAOYSA-N 2 0 325.456 3.234 10 0 EGAERP CC1(C)CC(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)C1 ZINC000528509162 313107355 /nfs/dbraw/zinc/10/73/55/313107355.db2.gz RRAXPHUVVTXSGJ-OAQYLSRUSA-N 2 0 341.543 3.315 10 0 EGAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1cc(CO)ccc1F ZINC000528816062 313181324 /nfs/dbraw/zinc/18/13/24/313181324.db2.gz UQCVZDYSRNTFJV-UHFFFAOYSA-N 2 0 330.447 3.402 10 0 EGAERP CCc1nc(C(C)C)ccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530240225 313504063 /nfs/dbraw/zinc/50/40/63/313504063.db2.gz BXSAFGVPCNYGBN-LJQANCHMSA-N 2 0 345.531 3.358 10 0 EGAERP C[C@@H]1C[C@@H](C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[NH2+]1 ZINC000530244125 313504770 /nfs/dbraw/zinc/50/47/70/313504770.db2.gz XABIZAVSVCZJCC-WBVHZDCISA-N 2 0 346.519 3.370 10 0 EGAERP C[C@H](Cc1ccsc1)[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000541760198 314486336 /nfs/dbraw/zinc/48/63/36/314486336.db2.gz BNORQFUYJCNJHO-QGZVFWFLSA-N 2 0 335.561 3.029 10 0 EGAERP CC(C)CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C(C)(C)C ZINC000553315282 315257144 /nfs/dbraw/zinc/25/71/44/315257144.db2.gz XQULINKSWRKDRP-SFHVURJKSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@@H]([NH3+])c1ccccc1 ZINC000562809381 315904720 /nfs/dbraw/zinc/90/47/20/315904720.db2.gz RQCBAMRDIOLBKK-SFHVURJKSA-N 2 0 341.430 3.136 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(F)c2C)CC1 ZINC000564847458 316216354 /nfs/dbraw/zinc/21/63/54/316216354.db2.gz NEGCQOANDQQABC-UHFFFAOYSA-N 2 0 335.467 3.174 10 0 EGAERP C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000349429015 324025822 /nfs/dbraw/zinc/02/58/22/324025822.db2.gz POQQVJZTPLKFJO-RDTXWAMCSA-N 2 0 334.485 3.073 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350590745 324098951 /nfs/dbraw/zinc/09/89/51/324098951.db2.gz CPGLCAIJCNDLIQ-QGZVFWFLSA-N 2 0 344.459 3.224 10 0 EGAERP C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623487255 460576161 /nfs/dbraw/zinc/57/61/61/460576161.db2.gz YTHPIUVALGNPLZ-YSIASYRMSA-N 2 0 329.532 3.359 10 0 EGAERP Fc1cccc(C[NH2+][C@@H]2CCc3nc[nH]c3C2)c1OCC(F)(F)F ZINC000623527688 460597787 /nfs/dbraw/zinc/59/77/87/460597787.db2.gz BUKXWQWPHUMNSH-LLVKDONJSA-N 2 0 343.324 3.137 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245774608 455377524 /nfs/dbraw/zinc/37/75/24/455377524.db2.gz XUQXJWSEOBNNJL-WKCHPHFGSA-N 3 0 327.516 3.113 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCCSC)CC1 ZINC000088727117 454117955 /nfs/dbraw/zinc/11/79/55/454117955.db2.gz UVJXVXNLQKZKKE-UHFFFAOYSA-N 2 0 335.561 3.451 10 0 EGAERP CCCc1noc(-c2cccc(C[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)n1 ZINC000095974227 454246156 /nfs/dbraw/zinc/24/61/56/454246156.db2.gz KKSBHKYPLBQZGG-QZTJIDSGSA-N 2 0 340.471 3.406 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000090028401 454264463 /nfs/dbraw/zinc/26/44/63/454264463.db2.gz AWFHOBJCFVWWNI-INIZCTEOSA-N 2 0 331.504 3.036 10 0 EGAERP CC(C)[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000091348790 454428366 /nfs/dbraw/zinc/42/83/66/454428366.db2.gz FQCYAIZMTRFCCN-FQEVSTJZSA-N 2 0 344.547 3.319 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cccc(OCC[NH+](C)C)c2)CC1 ZINC000121699348 454466253 /nfs/dbraw/zinc/46/62/53/454466253.db2.gz ODNLEUKJEZZAAX-GOSISDBHSA-N 3 0 347.547 3.400 10 0 EGAERP c1csc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000134203923 454516519 /nfs/dbraw/zinc/51/65/19/454516519.db2.gz LSALJZFNQVVWGJ-UHFFFAOYSA-N 2 0 330.501 3.446 10 0 EGAERP CCC[C@H](NC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000123308325 454623441 /nfs/dbraw/zinc/62/34/41/454623441.db2.gz IJTMNXMPOAXXCE-QRQLOZEOSA-N 2 0 331.504 3.059 10 0 EGAERP CC(C)OCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000105915649 454669032 /nfs/dbraw/zinc/66/90/32/454669032.db2.gz LGAVIQMBTAZWHE-OAQYLSRUSA-N 2 0 348.531 3.179 10 0 EGAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000162569910 454784957 /nfs/dbraw/zinc/78/49/57/454784957.db2.gz AKFHGTTZYMIDBU-ZDUSSCGKSA-N 2 0 330.303 3.282 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)C[C@H]2CCC[NH+]2CC)cc1)C(C)C ZINC000176971153 454806052 /nfs/dbraw/zinc/80/60/52/454806052.db2.gz GKNBSUHUJMPXND-HXUWFJFHSA-N 2 0 345.531 3.473 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cc3c(s2)CCC3)CC1 ZINC000154497825 454901998 /nfs/dbraw/zinc/90/19/98/454901998.db2.gz BMERGDCGAMMAPA-MRXNPFEDSA-N 2 0 335.561 3.305 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155659247 455027706 /nfs/dbraw/zinc/02/77/06/455027706.db2.gz WPDVBENBNQHMFQ-QUCCMNQESA-N 2 0 345.531 3.133 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(C)n2-c2ccccc2)[C@@H](C)C1 ZINC000245719367 455364200 /nfs/dbraw/zinc/36/42/00/455364200.db2.gz HQFRSXMORBTZLG-JXFKEZNVSA-N 2 0 326.488 3.343 10 0 EGAERP COc1cc(Br)ccc1[C@H](C)[NH2+]C1CCN(C)CC1 ZINC000191628941 455505391 /nfs/dbraw/zinc/50/53/91/455505391.db2.gz JAMWDISMAURZTA-NSHDSACASA-N 2 0 327.266 3.203 10 0 EGAERP C[C@H](c1cc(F)ccc1F)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000247190998 455571576 /nfs/dbraw/zinc/57/15/76/455571576.db2.gz OEOPJRVCOSJLPA-UONOGXRCSA-N 2 0 326.431 3.050 10 0 EGAERP CCOc1ccc(C(C)=O)cc1CN(C)[C@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247218675 455574374 /nfs/dbraw/zinc/57/43/74/455574374.db2.gz RBGAJAQLYDRGKF-KXBFYZLASA-N 2 0 332.488 3.450 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC(C)(C)CC)CC1 ZINC000182763201 455582503 /nfs/dbraw/zinc/58/25/03/455582503.db2.gz CYRLVSMDJJVAAN-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CCc1ccc2c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000247300974 455585151 /nfs/dbraw/zinc/58/51/51/455585151.db2.gz USMDYFGJBDEOSI-LPHOPBHVSA-N 2 0 340.467 3.272 10 0 EGAERP CCOc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)cc1 ZINC000247348551 455590532 /nfs/dbraw/zinc/59/05/32/455590532.db2.gz XZNLFZIISKWGNB-LPHOPBHVSA-N 2 0 347.503 3.076 10 0 EGAERP Cc1ccccc1C(=O)NC1CC[NH+](CC[C@@H]2CCCC[N@H+]2C)CC1 ZINC000268087789 455590857 /nfs/dbraw/zinc/59/08/57/455590857.db2.gz ICIQHQQQEOQJBS-IBGZPJMESA-N 2 0 343.515 3.064 10 0 EGAERP Cc1ccncc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284031632 455626442 /nfs/dbraw/zinc/62/64/42/455626442.db2.gz OGLNEHHPXXGYLW-UHFFFAOYSA-N 2 0 325.456 3.153 10 0 EGAERP CCn1nccc1CC[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285467234 455851193 /nfs/dbraw/zinc/85/11/93/455851193.db2.gz HGBSRLZPEIMSJS-NRFANRHFSA-N 2 0 338.499 3.044 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)c1cccc(-n2ccnc2)c1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000253549068 455852927 /nfs/dbraw/zinc/85/29/27/455852927.db2.gz NSRVEDZMLQYKRS-VVLHAWIVSA-N 2 0 340.471 3.311 10 0 EGAERP COCCC[NH+]1CCC(Nc2cc[nH+]c3cc(F)c(OC)cc23)CC1 ZINC000280160867 455905841 /nfs/dbraw/zinc/90/58/41/455905841.db2.gz BYSPUUBFQITOTM-UHFFFAOYSA-N 2 0 347.434 3.295 10 0 EGAERP CCN(C)[C@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261683103 455927378 /nfs/dbraw/zinc/92/73/78/455927378.db2.gz HRTDRZSGXSGVLQ-IBGZPJMESA-N 2 0 341.430 3.103 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617008098 460702855 /nfs/dbraw/zinc/70/28/55/460702855.db2.gz BGZMCWBXURDDQY-SFHVURJKSA-N 2 0 331.504 3.131 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)F ZINC000296642508 455998815 /nfs/dbraw/zinc/99/88/15/455998815.db2.gz YFCMSGINXARZOC-IECFSIQFSA-N 2 0 338.442 3.176 10 0 EGAERP CC(C)CC[N@@H+]1Cc2cccc(NC(=O)c3coc(C[NH3+])c3)c2C1 ZINC000188153172 456010244 /nfs/dbraw/zinc/01/02/44/456010244.db2.gz QLTMQLGVOJGHNC-UHFFFAOYSA-N 2 0 327.428 3.352 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000352832221 456345765 /nfs/dbraw/zinc/34/57/65/456345765.db2.gz FESWRPDZCRLHBL-YRISNDGFSA-N 2 0 328.500 3.335 10 0 EGAERP C[C@H]([NH2+]CCC[NH+]1CCCCC1)C1CCN(CC(F)(F)F)CC1 ZINC000340289630 456364741 /nfs/dbraw/zinc/36/47/41/456364741.db2.gz RIJZABKLFIRCPQ-HNNXBMFYSA-N 2 0 335.458 3.115 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@H]1SC ZINC000298283260 456414387 /nfs/dbraw/zinc/41/43/87/456414387.db2.gz GYFUZBBRPMFKIV-IPMKNSEASA-N 2 0 334.529 3.281 10 0 EGAERP c1ccc(C[N@H+]2CCCC[C@@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298599623 456498312 /nfs/dbraw/zinc/49/83/12/456498312.db2.gz ZAKFQKXNVPINIL-OAQYLSRUSA-N 2 0 327.516 3.258 10 0 EGAERP COCc1cccc(OCC2(C[N@@H+]3CC[C@H](C[NH+](C)C)C3)CCC2)c1 ZINC000343317520 456526905 /nfs/dbraw/zinc/52/69/05/456526905.db2.gz VQFPVGICUALTGZ-LJQANCHMSA-N 2 0 346.515 3.266 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000353383584 456663193 /nfs/dbraw/zinc/66/31/93/456663193.db2.gz GEOUEESTZMQPEY-XDNAFOTISA-N 2 0 330.472 3.371 10 0 EGAERP OC[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000353485136 456707286 /nfs/dbraw/zinc/70/72/86/456707286.db2.gz SOXGHUXQXZFDSG-VTHDOGFWSA-N 2 0 328.500 3.323 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000353525601 456736703 /nfs/dbraw/zinc/73/67/03/456736703.db2.gz HKULPZSBIDOQQV-WOZUAGRISA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000341066925 456812065 /nfs/dbraw/zinc/81/20/65/456812065.db2.gz KUEHOFFVNARGBZ-GGPKGHCWSA-N 2 0 343.515 3.030 10 0 EGAERP C[C@@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000349309676 456938409 /nfs/dbraw/zinc/93/84/09/456938409.db2.gz DYEWJSGEKPOZAI-RDTXWAMCSA-N 2 0 334.485 3.073 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(-c3ccccc3)n[nH]2)C1 ZINC000354085749 457052890 /nfs/dbraw/zinc/05/28/90/457052890.db2.gz YJLHBJPWDPPMLR-IBGZPJMESA-N 2 0 342.487 3.009 10 0 EGAERP CC(C)N(C)C(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000356645672 457100642 /nfs/dbraw/zinc/10/06/42/457100642.db2.gz CMVKWNPCVICXPS-KRWDZBQOSA-N 2 0 331.504 3.017 10 0 EGAERP CC[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000354166640 457104312 /nfs/dbraw/zinc/10/43/12/457104312.db2.gz XKLSTEDRBDCSGQ-SEJPIABJSA-N 2 0 327.516 3.256 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+](CC)CC2CC2)CC1 ZINC000356890418 457200761 /nfs/dbraw/zinc/20/07/61/457200761.db2.gz GVEUZUPQXCBPQU-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccccc1-n1nccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000354460108 457238127 /nfs/dbraw/zinc/23/81/27/457238127.db2.gz HJLRVBJBQZYABS-UHFFFAOYSA-N 2 0 326.488 3.391 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@H]1C ZINC000357238219 457392533 /nfs/dbraw/zinc/39/25/33/457392533.db2.gz MVZCEPATBWQVNB-QZTJIDSGSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)(C)CC(=O)N1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000355606477 457394616 /nfs/dbraw/zinc/39/46/16/457394616.db2.gz LBGGZDNAGFGAKA-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CC[C@@H](C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397497237 457487792 /nfs/dbraw/zinc/48/77/92/457487792.db2.gz CHGSTZJBIIDKAY-QWFCFKBJSA-N 2 0 330.516 3.428 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000425363957 457519407 /nfs/dbraw/zinc/51/94/07/457519407.db2.gz YAVOLEBIGIDKBX-VQTJNVASSA-N 2 0 347.572 3.068 10 0 EGAERP OC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC[NH+](Cc2ccccc2)CC1 ZINC000403697137 457534329 /nfs/dbraw/zinc/53/43/29/457534329.db2.gz SOZCQPKATVNJJQ-AQNXPRMDSA-N 2 0 328.500 3.039 10 0 EGAERP C[C@@H]1CN(C(=O)C2CCC([NH3+])CC2)[C@H](C)[C@@H](C)[N@@H+]1Cc1ccccc1 ZINC000404368099 457541825 /nfs/dbraw/zinc/54/18/25/457541825.db2.gz HNNVRHDLMOFVKO-PQLJQCGPSA-N 2 0 343.515 3.014 10 0 EGAERP CCC[N@H+](Cc1cnoc1C)C1CCN(c2cc(C)nc(C)n2)CC1 ZINC000370416515 457643218 /nfs/dbraw/zinc/64/32/18/457643218.db2.gz YYHGXOBACAZZPY-UHFFFAOYSA-N 2 0 343.475 3.271 10 0 EGAERP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000366331313 457806924 /nfs/dbraw/zinc/80/69/24/457806924.db2.gz GJDVDEDJJHTWDB-SXLOBPIMSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3nc(-c4cccs4)no3)CC[C@H]21 ZINC000361669304 457815171 /nfs/dbraw/zinc/81/51/71/457815171.db2.gz AHHVISZZASQLSJ-HUUCEWRRSA-N 2 0 346.500 3.147 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300671 457920410 /nfs/dbraw/zinc/92/04/10/457920410.db2.gz NVHPZGZCUVNRSC-RRQGHBQHSA-N 2 0 334.529 3.265 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000368106994 458011736 /nfs/dbraw/zinc/01/17/36/458011736.db2.gz CIINZDDAYGRKHJ-CMZZOHRZSA-N 2 0 331.548 3.222 10 0 EGAERP Cc1nccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152350 458103235 /nfs/dbraw/zinc/10/32/35/458103235.db2.gz AOZSEFAXQXBLDM-PZJWPPBQSA-N 2 0 336.483 3.272 10 0 EGAERP c1[nH+]cn2cc(C[NH2+]Cc3ccc(OC[C@@H]4CCCO4)cc3)ccc12 ZINC000459657383 458437915 /nfs/dbraw/zinc/43/79/15/458437915.db2.gz ICDZTCYDDNWWTJ-FQEVSTJZSA-N 2 0 337.423 3.182 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000423483057 458439838 /nfs/dbraw/zinc/43/98/38/458439838.db2.gz PSSBWLUQNSVCHX-HNNXBMFYSA-N 2 0 331.495 3.252 10 0 EGAERP OCCN1CCCC[C@@H]1C[NH2+][C@@H]1CCSc2c(Cl)cccc21 ZINC000453273258 458522913 /nfs/dbraw/zinc/52/29/13/458522913.db2.gz VNKNMABJPJXLLU-CZUORRHYSA-N 2 0 340.920 3.313 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]([C@H]3CCOC3)C2)cc1 ZINC000462793063 458655945 /nfs/dbraw/zinc/65/59/45/458655945.db2.gz PUNXVCGYQWBSQT-HSALFYBXSA-N 2 0 346.515 3.312 10 0 EGAERP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@H](C)CCN1CC[NH+](C)CC1 ZINC000471595676 458702508 /nfs/dbraw/zinc/70/25/08/458702508.db2.gz UVDHMBFDVPXOFJ-HUUCEWRRSA-N 2 0 343.968 3.338 10 0 EGAERP C[NH+](C)C[C@H](N[C@@H]1CCC[C@@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000530227395 458723590 /nfs/dbraw/zinc/72/35/90/458723590.db2.gz XDKRQGOXXVXMFA-IOASZLSFSA-N 2 0 330.303 3.456 10 0 EGAERP c1nc(C2CCC2)sc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247627 458729880 /nfs/dbraw/zinc/72/98/80/458729880.db2.gz BDZQWEQQABUQLJ-MRXNPFEDSA-N 2 0 335.517 3.001 10 0 EGAERP Cn1cncc1CC[NH2+][C@@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000530354813 458753640 /nfs/dbraw/zinc/75/36/40/458753640.db2.gz IENIGXKSZUVNRT-LJQANCHMSA-N 2 0 325.456 3.345 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494884462 458761750 /nfs/dbraw/zinc/76/17/50/458761750.db2.gz ARQRSIILPVUWHM-QFBILLFUSA-N 2 0 343.515 3.208 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000494926066 458767118 /nfs/dbraw/zinc/76/71/18/458767118.db2.gz WCQIEVHBKZZSSF-DYXWJJEUSA-N 2 0 329.532 3.219 10 0 EGAERP CCc1ccc(C[NH+]2CCN(CC[C@@H]3CCCC[N@@H+]3C)CC2)s1 ZINC000472569310 458801938 /nfs/dbraw/zinc/80/19/38/458801938.db2.gz ZBFXSTAUYTWVAB-KRWDZBQOSA-N 2 0 335.561 3.303 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC(C)(C)O2)CC1 ZINC000495175905 458805555 /nfs/dbraw/zinc/80/55/55/458805555.db2.gz VOXIEZVMNRLUDK-IBGZPJMESA-N 2 0 345.531 3.266 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000474866391 458904636 /nfs/dbraw/zinc/90/46/36/458904636.db2.gz DMHOQGLHOIJJQG-FQEVSTJZSA-N 2 0 331.548 3.432 10 0 EGAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000474938854 458908870 /nfs/dbraw/zinc/90/88/70/458908870.db2.gz AEOJPFJTPUUOTP-IAGOWNOFSA-N 2 0 332.488 3.437 10 0 EGAERP CN(C)[C@@H](C(=O)N1CCC(c2c[nH]cn2)CC1)c1cccc(Cl)c1 ZINC000531434848 458917592 /nfs/dbraw/zinc/91/75/92/458917592.db2.gz AAPURMKLCYFQHF-QGZVFWFLSA-N 2 0 346.862 3.072 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000566735738 458992099 /nfs/dbraw/zinc/99/20/99/458992099.db2.gz OFSDRGKONOZVLQ-QDQSMLGJSA-N 2 0 341.499 3.442 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CCC1CC[NH+](C)CC1)CCC2 ZINC000594494457 459058946 /nfs/dbraw/zinc/05/89/46/459058946.db2.gz GLDUHBVEQOJHIY-IBGZPJMESA-N 2 0 330.472 3.172 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@@H]1CSc2ccccc2O1 ZINC000577611567 459060593 /nfs/dbraw/zinc/06/05/93/459060593.db2.gz MRQITVUXVRPTIE-UAGQMJEPSA-N 2 0 328.481 3.088 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000594521327 459078521 /nfs/dbraw/zinc/07/85/21/459078521.db2.gz PEKQUPJNBVYPEV-DNVCBOLYSA-N 2 0 330.472 3.172 10 0 EGAERP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000567889265 459183985 /nfs/dbraw/zinc/18/39/85/459183985.db2.gz GLMCHUKMWQUNSB-SFHVURJKSA-N 2 0 346.862 3.008 10 0 EGAERP C[NH+]1CCN(C[C@H]([NH2+][C@H]2CC[C@H]2C2CCC2)c2ccccc2)CC1 ZINC000558696286 459199159 /nfs/dbraw/zinc/19/91/59/459199159.db2.gz DFUDFBNCYQAMEN-ACRUOGEOSA-N 2 0 327.516 3.143 10 0 EGAERP O=C(CC[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2)Nc1cccc2ccccc21 ZINC000583025430 459468699 /nfs/dbraw/zinc/46/86/99/459468699.db2.gz ZZXMHTPTMGSHQD-OAQYLSRUSA-N 2 0 337.467 3.244 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](CCCSCc1ccccc1)CCO2 ZINC000592183902 459544506 /nfs/dbraw/zinc/54/45/06/459544506.db2.gz DSHUUGKLAKRAGS-UHFFFAOYSA-N 2 0 334.529 3.107 10 0 EGAERP CCOc1cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc(Cl)c1OC ZINC000583934681 459620921 /nfs/dbraw/zinc/62/09/21/459620921.db2.gz QONMZMLUKKVENP-SFHVURJKSA-N 2 0 338.879 3.323 10 0 EGAERP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H]1CCCC[NH2+]C1 ZINC000562748212 459640265 /nfs/dbraw/zinc/64/02/65/459640265.db2.gz ZUVDVRBHZKFQET-WFASDCNBSA-N 2 0 343.393 3.154 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+]Cc2ccnc(C)c2)cc1 ZINC000527638749 459680385 /nfs/dbraw/zinc/68/03/85/459680385.db2.gz YOIZEWLFVGGMEB-UHFFFAOYSA-N 2 0 327.472 3.400 10 0 EGAERP C[C@@H]1C[C@H](NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669798 459691798 /nfs/dbraw/zinc/69/17/98/459691798.db2.gz ZCJMTXHDQHFPCB-MWLCHTKSSA-N 2 0 333.220 3.300 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3c(C)cccc32)CC[NH2+]CC1 ZINC000596652003 459714676 /nfs/dbraw/zinc/71/46/76/459714676.db2.gz DXAZAJFVAKSOQS-VQIMIIECSA-N 2 0 344.499 3.283 10 0 EGAERP Cn1ccnc1CN[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000527810126 459746311 /nfs/dbraw/zinc/74/63/11/459746311.db2.gz OFIIENXSUZVAMT-AWEZNQCLSA-N 2 0 327.259 3.119 10 0 EGAERP CCOC(=O)C(C)(C)CCC[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599070616 460150250 /nfs/dbraw/zinc/15/02/50/460150250.db2.gz MAWFCQVDZOBRJQ-IAGOWNOFSA-N 2 0 326.525 3.456 10 0 EGAERP C[N@H+](Cc1cc(CO)ccc1F)C1CCN(CCC(F)(F)F)CC1 ZINC000625462927 460181890 /nfs/dbraw/zinc/18/18/90/460181890.db2.gz CJNGRGXHAIDOFW-UHFFFAOYSA-N 2 0 348.384 3.167 10 0 EGAERP C[C@@H]([NH2+][C@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657895 460492557 /nfs/dbraw/zinc/49/25/57/460492557.db2.gz AZKQWFZAHGCKHK-MLGOLLRUSA-N 2 0 330.394 3.059 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000629535382 460799080 /nfs/dbraw/zinc/79/90/80/460799080.db2.gz CEVJKOCMHHNGKY-INIZCTEOSA-N 2 0 341.293 3.172 10 0 EGAERP Clc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556173 460806034 /nfs/dbraw/zinc/80/60/34/460806034.db2.gz LUCNAZKWNDDXAF-RYQLBKOJSA-N 2 0 347.890 3.111 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621377947 461014204 /nfs/dbraw/zinc/01/42/04/461014204.db2.gz KHSRUASGZIQIQC-CYBMUJFWSA-N 2 0 343.849 3.227 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CC2(F)F)CC1 ZINC000621378041 461014308 /nfs/dbraw/zinc/01/43/08/461014308.db2.gz MKUTZNXJRORJLA-QGZVFWFLSA-N 2 0 337.458 3.354 10 0 EGAERP COc1ccc(C2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)nc1 ZINC000652344601 461139728 /nfs/dbraw/zinc/13/97/28/461139728.db2.gz PWCLNZBGLLZIRG-UHFFFAOYSA-N 2 0 337.467 3.116 10 0 EGAERP Fc1ccccc1CC[N@H+](C[C@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662251325 461144124 /nfs/dbraw/zinc/14/41/24/461144124.db2.gz CUYOQNXATVSOJW-GOSISDBHSA-N 2 0 332.463 3.134 10 0 EGAERP OCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCCc2ccccc21 ZINC000662254786 461145245 /nfs/dbraw/zinc/14/52/45/461145245.db2.gz LUUBXEWTTSQATL-JOCHJYFZSA-N 2 0 336.479 3.204 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]1C1CC[NH+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000662271988 461157844 /nfs/dbraw/zinc/15/78/44/461157844.db2.gz ASTDRAFLCOVFSR-OTNPHJDUSA-N 2 0 328.500 3.399 10 0 EGAERP CC[N@H+](CCOc1ccccc1OC)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000662320907 461190838 /nfs/dbraw/zinc/19/08/38/461190838.db2.gz FQDMUWVRASAGEZ-UHFFFAOYSA-N 2 0 340.467 3.242 10 0 EGAERP [NH3+]Cc1ccc(C(=O)N[C@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000646409017 461241991 /nfs/dbraw/zinc/24/19/91/461241991.db2.gz YHKVYEWCTJOZHH-HXUWFJFHSA-N 2 0 337.467 3.102 10 0 EGAERP Cn1ccnc1-c1cccc(NC(=O)NC[C@@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000665975118 461384369 /nfs/dbraw/zinc/38/43/69/461384369.db2.gz FGSDGHMDAJXZQZ-INIZCTEOSA-N 2 0 341.459 3.081 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000655805914 461465255 /nfs/dbraw/zinc/46/52/55/461465255.db2.gz UUAWWWGXLVWJFY-LNSITVRQSA-N 2 0 327.394 3.408 10 0 EGAERP C[C@H](Cc1cccs1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000666234747 461521723 /nfs/dbraw/zinc/52/17/23/461521723.db2.gz XDMYDTMQTBVNOA-QGZVFWFLSA-N 2 0 344.524 3.296 10 0 EGAERP CCc1nnc([C@@H](C)[N@H+](CC)CC2CCN(c3ccccn3)CC2)[nH]1 ZINC000659974033 461525223 /nfs/dbraw/zinc/52/52/23/461525223.db2.gz WVJBRVGQHYKRIC-OAHLLOKOSA-N 2 0 342.491 3.062 10 0 EGAERP C[C@@H]1C[N@H+](CCC[NH2+]Cc2ccc(CC(F)(F)F)cc2)CCCO1 ZINC000631122047 461568721 /nfs/dbraw/zinc/56/87/21/461568721.db2.gz MNEVWTMIGYTYCH-OAHLLOKOSA-N 2 0 344.421 3.382 10 0 EGAERP C[C@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154139 461608823 /nfs/dbraw/zinc/60/88/23/461608823.db2.gz JGBDLQBAUNVOJA-GHTZIAJQSA-N 2 0 343.559 3.442 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647282826 461610615 /nfs/dbraw/zinc/61/06/15/461610615.db2.gz WLPKZRMZAONBAW-FQEVSTJZSA-N 2 0 332.536 3.176 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@@H](OC)[C@@H]2CCOC2)CC1)CC(C)C ZINC000660172313 461622593 /nfs/dbraw/zinc/62/25/93/461622593.db2.gz PKJRIVKKJIZAMH-WOJBJXKFSA-N 2 0 340.552 3.118 10 0 EGAERP COc1c(C)cccc1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656199686 461644291 /nfs/dbraw/zinc/64/42/91/461644291.db2.gz AXPPKXSBZCRHNH-WIYYLYMNSA-N 2 0 338.451 3.349 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCCC23CCOCC3)[C@H](c2ccccc2)C1 ZINC000647344292 461648145 /nfs/dbraw/zinc/64/81/45/461648145.db2.gz NKVBICBCMDXCHJ-AABGKKOBSA-N 2 0 328.500 3.271 10 0 EGAERP C[C@]1(CCNc2ncnc3c2cnn3-c2ccncc2)CC1(F)F ZINC000656473596 461757671 /nfs/dbraw/zinc/75/76/71/461757671.db2.gz PSNFLHZFZBXZSA-HNNXBMFYSA-N 2 0 330.342 3.058 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[NH2+]CC1 ZINC000666857939 461839333 /nfs/dbraw/zinc/83/93/33/461839333.db2.gz QOGTZIXGLKKBLX-FZMZJTMJSA-N 2 0 329.257 3.251 10 0 EGAERP c1cc(CCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc2c1OCC2 ZINC000656782353 461892825 /nfs/dbraw/zinc/89/28/25/461892825.db2.gz FIGDUALOIGHCQE-HXUWFJFHSA-N 2 0 328.500 3.266 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785559 461896266 /nfs/dbraw/zinc/89/62/66/461896266.db2.gz MDUHGHJVWBKRJF-HXUWFJFHSA-N 2 0 346.515 3.314 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650706410 461899842 /nfs/dbraw/zinc/89/98/42/461899842.db2.gz JUAWWQZJGWKMTL-OTWHNJEPSA-N 2 0 332.488 3.030 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+](Cc2ccc(C)nc2)CC2CC2)cc1 ZINC000647995378 461927882 /nfs/dbraw/zinc/92/78/82/461927882.db2.gz SGGGMZVPIGJSEA-HXUWFJFHSA-N 2 0 339.483 3.353 10 0 EGAERP Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@H](O)CN(C)Cc2ccccc2)C1 ZINC000644638847 462019416 /nfs/dbraw/zinc/01/94/16/462019416.db2.gz DIYIEEUAUCPYEH-ACRUOGEOSA-N 2 0 338.495 3.324 10 0 EGAERP CCOc1cc2[nH+]ccc(N(C)CC3C[NH+](C)C3)c2cc1OCC ZINC000664330761 462021690 /nfs/dbraw/zinc/02/16/90/462021690.db2.gz MTDQTBORHVNESH-UHFFFAOYSA-N 2 0 329.444 3.030 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2c(C(F)(F)F)cnn2C)c1 ZINC000657347619 462062906 /nfs/dbraw/zinc/06/29/06/462062906.db2.gz DCZFALOOMNVOOE-UHFFFAOYSA-N 2 0 340.393 3.180 10 0 EGAERP CCO[C@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000657384232 462086736 /nfs/dbraw/zinc/08/67/36/462086736.db2.gz NNBCPKBSBWWLIE-LJQANCHMSA-N 2 0 328.460 3.342 10 0 EGAERP CC[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Oc1ccccc1F ZINC000657386169 462089194 /nfs/dbraw/zinc/08/91/94/462089194.db2.gz CFRTZXBEYXSYSB-QGZVFWFLSA-N 2 0 340.402 3.354 10 0 EGAERP c1cc(O[C@@H]2CCOC2)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000667501556 462115607 /nfs/dbraw/zinc/11/56/07/462115607.db2.gz AFFCGFABFYDZCN-OAQYLSRUSA-N 2 0 344.499 3.162 10 0 EGAERP COC[C@@H]([NH2+]Cc1cccc(C[NH+]2CCCCC2)c1)C1CCOCC1 ZINC000661154760 462126716 /nfs/dbraw/zinc/12/67/16/462126716.db2.gz OHGMQISOXZFEFX-OAQYLSRUSA-N 2 0 346.515 3.204 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000657526263 462168092 /nfs/dbraw/zinc/16/80/92/462168092.db2.gz FFTHKXVYBUOSGR-HXUWFJFHSA-N 2 0 329.532 3.156 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3Cl)cc2)C1 ZINC000657595512 462197007 /nfs/dbraw/zinc/19/70/07/462197007.db2.gz IFDSLWJEGZSBHX-GOSISDBHSA-N 2 0 348.849 3.336 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cncc(Br)c2C)[C@H](C)C1 ZINC000667666514 462199347 /nfs/dbraw/zinc/19/93/47/462199347.db2.gz PAAIFPGBPBURRE-MLGOLLRUSA-N 2 0 340.309 3.315 10 0 EGAERP C[C@H]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664186 462220786 /nfs/dbraw/zinc/22/07/86/462220786.db2.gz IFCVVTFBFAXLHG-PXNSSMCTSA-N 2 0 345.531 3.264 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657663953 462221630 /nfs/dbraw/zinc/22/16/30/462221630.db2.gz GTYZNNUDKBKMPB-SFHVURJKSA-N 2 0 337.458 3.354 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774126 462261489 /nfs/dbraw/zinc/26/14/89/462261489.db2.gz XHFAQBRQBBZDQQ-HSALFYBXSA-N 2 0 328.500 3.446 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667788970 462262660 /nfs/dbraw/zinc/26/26/60/462262660.db2.gz AQOOUYYNJPUBIV-AZUAARDMSA-N 2 0 332.488 3.064 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CO[C@H](C3CC3)C2)cc1 ZINC000667788972 462263160 /nfs/dbraw/zinc/26/31/60/462263160.db2.gz AQOOUYYNJPUBIV-QUCCMNQESA-N 2 0 332.488 3.064 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657815978 462281246 /nfs/dbraw/zinc/28/12/46/462281246.db2.gz TXGZHAOJEYCTKW-UHFFFAOYSA-N 2 0 338.499 3.299 10 0 EGAERP c1ccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657849245 462295139 /nfs/dbraw/zinc/29/51/39/462295139.db2.gz DTZKGMVKZFGMKU-LJQANCHMSA-N 2 0 347.572 3.464 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)(C)C(F)F ZINC000657901456 462312137 /nfs/dbraw/zinc/31/21/37/462312137.db2.gz UBFKMNVXYJNGNX-CQSZACIVSA-N 2 0 340.458 3.413 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053499 462358460 /nfs/dbraw/zinc/35/84/60/462358460.db2.gz BJSZOWCNVKCAAU-WMZOPIPTSA-N 2 0 333.520 3.150 10 0 EGAERP C[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658053963 462359410 /nfs/dbraw/zinc/35/94/10/462359410.db2.gz CDZBJFWDAAHRBV-SXLOBPIMSA-N 2 0 329.532 3.359 10 0 EGAERP CC(C)[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658068810 462366517 /nfs/dbraw/zinc/36/65/17/462366517.db2.gz AAAILYMWDONWBE-HXUWFJFHSA-N 2 0 349.494 3.398 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)COc1c(F)cccc1F ZINC000665261784 462375684 /nfs/dbraw/zinc/37/56/84/462375684.db2.gz LHTLMCJTEGOMNL-NEPJUHHUSA-N 2 0 335.398 3.245 10 0 EGAERP [NH3+]C1CCC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000665276492 462379583 /nfs/dbraw/zinc/37/95/83/462379583.db2.gz DTKIARFQJMXRKP-HDYDNRTBSA-N 3 0 327.516 3.148 10 0 EGAERP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277342 462381426 /nfs/dbraw/zinc/38/14/26/462381426.db2.gz ZHHUWMQJGAIVRC-RLLQIKCJSA-N 2 0 327.516 3.019 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000665281476 462382584 /nfs/dbraw/zinc/38/25/84/462382584.db2.gz DQCQLARCYMAXGH-XRXFAXGQSA-N 3 0 329.532 3.250 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000665281265 462383605 /nfs/dbraw/zinc/38/36/05/462383605.db2.gz YRZIUYGJZOZFTL-MAUKXSAKSA-N 2 0 330.476 3.023 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@@H](CC(C)C)C2)CC1 ZINC000665289874 462386967 /nfs/dbraw/zinc/38/69/67/462386967.db2.gz ZRAUMQGVBJGUBN-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)cc2)C1 ZINC000658135401 462399793 /nfs/dbraw/zinc/39/97/93/462399793.db2.gz DLQGLRKGBLZQEK-VAMGGRTRSA-N 2 0 334.479 3.261 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137312 462399918 /nfs/dbraw/zinc/39/99/18/462399918.db2.gz KJGJYFINLOMJSF-LEWJYISDSA-N 2 0 328.500 3.312 10 0 EGAERP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137045 462400613 /nfs/dbraw/zinc/40/06/13/462400613.db2.gz IMHYJLBTLXADBT-OXJNMPFZSA-N 2 0 339.483 3.061 10 0 EGAERP C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138769 462402417 /nfs/dbraw/zinc/40/24/17/462402417.db2.gz NXCVXEZJQRCAJR-OXJNMPFZSA-N 2 0 344.524 3.426 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@@H](O)C3)cc1)CC2 ZINC000658140268 462403204 /nfs/dbraw/zinc/40/32/04/462403204.db2.gz PGWDVDDTDNJCCZ-IRLDBZIGSA-N 2 0 336.479 3.339 10 0 EGAERP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658144345 462406429 /nfs/dbraw/zinc/40/64/29/462406429.db2.gz LRTHNLXGRGRXAR-APWZRJJASA-N 2 0 340.467 3.113 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143575 462407691 /nfs/dbraw/zinc/40/76/91/462407691.db2.gz ZJAFCAXQTPSITJ-CNDZOEFASA-N 2 0 336.479 3.276 10 0 EGAERP C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652246183 462487947 /nfs/dbraw/zinc/48/79/47/462487947.db2.gz MSTCUVGFOQYGIQ-HRAATJIYSA-N 2 0 346.515 3.483 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353439840 535609607 /nfs/dbraw/zinc/60/96/07/535609607.db2.gz JRZUOZXUHUDITD-NJDAHSKKSA-N 3 0 329.532 3.491 10 0 EGAERP C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000090943255 546661422 /nfs/dbraw/zinc/66/14/22/546661422.db2.gz HQANRLFNOVKKCA-FASAQXTFSA-N 2 0 337.458 3.030 10 0 EGAERP C[C@@H]([NH2+][C@H](Cc1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921549 549005045 /nfs/dbraw/zinc/00/50/45/549005045.db2.gz YRISKKWZEPEUFP-VQIMIIECSA-N 2 0 326.488 3.024 10 0 EGAERP C[C@@H]([NH2+][C@@H](Cc1nccn1C)c1ccccc1)C1CC[NH+](C)CC1 ZINC000675921546 549005210 /nfs/dbraw/zinc/00/52/10/549005210.db2.gz YRISKKWZEPEUFP-APWZRJJASA-N 2 0 326.488 3.024 10 0 EGAERP CO[C@@H](C)C[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)C ZINC000678277405 549456233 /nfs/dbraw/zinc/45/62/33/549456233.db2.gz UNRYMPJGHJRXON-SFHVURJKSA-N 2 0 334.504 3.407 10 0 EGAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000680145065 549827040 /nfs/dbraw/zinc/82/70/40/549827040.db2.gz QEJMIIOCIYXMJO-NJDAHSKKSA-N 2 0 336.483 3.175 10 0 EGAERP CCOc1cc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)ccc1OC(F)F ZINC000075780786 1292410792 /nfs/dbraw/zinc/41/07/92/1292410792.db2.gz FTCPTWRVWLHJRY-CQSZACIVSA-N 2 0 340.414 3.261 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)c1 ZINC000080401798 1292599847 /nfs/dbraw/zinc/59/98/47/1292599847.db2.gz ADUIWEUKOMXZHE-UHFFFAOYSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(-c2ccc(F)cc2)s1)N1CC[NH+](C)CC1 ZINC000105466305 1293039856 /nfs/dbraw/zinc/03/98/56/1293039856.db2.gz FLUUHSAMRVRUJR-HNNXBMFYSA-N 2 0 347.503 3.280 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000155807517 1294114294 /nfs/dbraw/zinc/11/42/94/1294114294.db2.gz DLIRVCNPAVQUNL-UHFFFAOYSA-N 2 0 346.906 3.004 10 0 EGAERP C[C@@H]([NH2+][C@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000156916829 1294162960 /nfs/dbraw/zinc/16/29/60/1294162960.db2.gz SWDWXRNGRNQDKT-HZPDHXFCSA-N 2 0 329.488 3.194 10 0 EGAERP O=C(OC[C@@H]1CC[N@@H+]1C1CCCCCC1)C1CC[NH+](C2CC2)CC1 ZINC000870732875 1296051451 /nfs/dbraw/zinc/05/14/51/1296051451.db2.gz KMZPSKQLJGBSPF-IBGZPJMESA-N 2 0 334.504 3.201 10 0 EGAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000872021000 1296662732 /nfs/dbraw/zinc/66/27/32/1296662732.db2.gz MLURMNPDZHZDTG-HKUYNNGSSA-N 2 0 334.479 3.236 10 0 EGAERP C[C@@H]1C[C@@H](N2CCC3(CC[NH2+]CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000302655484 1296804022 /nfs/dbraw/zinc/80/40/22/1296804022.db2.gz ZVLBAVLPCGCSQO-UYAOXDASSA-N 2 0 327.516 3.115 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc(F)cc2Cl)CC1 ZINC000872228808 1296831339 /nfs/dbraw/zinc/83/13/39/1296831339.db2.gz KUIMZABWPMCGBE-PWZRNIHTSA-N 2 0 328.859 3.365 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)c1ccccc1 ZINC000305880302 1297061948 /nfs/dbraw/zinc/06/19/48/1297061948.db2.gz UIRBTLCSRJPKEI-GXRSIYKFSA-N 2 0 336.479 3.220 10 0 EGAERP Brc1cscc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000310620180 1297097403 /nfs/dbraw/zinc/09/74/03/1297097403.db2.gz GWVFPTGSUYDLAV-UHFFFAOYSA-N 2 0 329.307 3.476 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccc(CNC(=O)OC(C)(C)C)cc2)CC1 ZINC000385466298 1297583231 /nfs/dbraw/zinc/58/32/31/1297583231.db2.gz JPMMAFFOZHQYMB-SFHVURJKSA-N 2 0 347.503 3.285 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]CC2(NC(=O)OC(C)(C)C)CCC2)CC1 ZINC000393389036 1297666677 /nfs/dbraw/zinc/66/66/77/1297666677.db2.gz JPQWKJUIKMIRPV-UHFFFAOYSA-N 2 0 339.524 3.144 10 0 EGAERP C[NH+](C)C1CCC([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000715281136 1298280391 /nfs/dbraw/zinc/28/03/91/1298280391.db2.gz XYMQFRQSHYHOET-QNGMFEMESA-N 3 0 329.532 3.361 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560125 1298281645 /nfs/dbraw/zinc/28/16/45/1298281645.db2.gz XJRGPKFSYUQGHY-TWMKSMIVSA-N 2 0 339.524 3.237 10 0 EGAERP C[N@@H+](Cc1cnc(N)s1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719957641 1298326561 /nfs/dbraw/zinc/32/65/61/1298326561.db2.gz FEPVFVTYPAGRFA-UHFFFAOYSA-N 2 0 330.501 3.069 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@@]4(CC[NH2+]C4)C3)n2)c1 ZINC000886867567 1303619399 /nfs/dbraw/zinc/61/93/99/1303619399.db2.gz IOMPPCLCQQVBEJ-SFHVURJKSA-N 2 0 346.500 3.196 10 0 EGAERP C[C@H]1C[N@H+](C[C@H]2CCN(c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000895559019 1309401838 /nfs/dbraw/zinc/40/18/38/1309401838.db2.gz YRISDDPUZDQKJR-RBUKOAKNSA-N 2 0 336.483 3.119 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCCCC[NH+]2CCCC2)[C@@H]1c1ccccc1 ZINC000897852997 1310491457 /nfs/dbraw/zinc/49/14/57/1310491457.db2.gz PPURXQOSFJTTBJ-PMACEKPBSA-N 2 0 343.515 3.062 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]CC4=CCCOC4)CC[C@@H]3C2)cc1 ZINC000898522736 1310777301 /nfs/dbraw/zinc/77/73/01/1310777301.db2.gz SVNQTNMCDPECQW-QHAWAJNXSA-N 2 0 326.484 3.223 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]C[C@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC000898522652 1310777746 /nfs/dbraw/zinc/77/77/46/1310777746.db2.gz QUWJBWNKJDAYGW-MXEMCNAFSA-N 2 0 328.500 3.303 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCN1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029608 1328664749 /nfs/dbraw/zinc/66/47/49/1328664749.db2.gz ZFZRNLXZPTVGIY-RTBURBONSA-N 2 0 329.488 3.287 10 0 EGAERP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858109899 1328684800 /nfs/dbraw/zinc/68/48/00/1328684800.db2.gz CIUQUGPKLZTSFY-WBVHZDCISA-N 2 0 329.488 3.337 10 0 EGAERP COc1ccc(C(C)(C)NCc2ncc(CN(C)C)s2)cc1F ZINC000858258148 1328724508 /nfs/dbraw/zinc/72/45/08/1328724508.db2.gz WEULMWFRAJAODK-UHFFFAOYSA-N 2 0 337.464 3.377 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](CC3CCC4(CC4)CC3)CC2)CC1 ZINC000930130122 1328792843 /nfs/dbraw/zinc/79/28/43/1328792843.db2.gz GYFFGNKPDZMOJA-UHFFFAOYSA-N 2 0 333.564 3.447 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1 ZINC000921536170 1322343339 /nfs/dbraw/zinc/34/33/39/1322343339.db2.gz WMVWTSVYEGHNBW-INIZCTEOSA-N 2 0 325.456 3.451 10 0 EGAERP CC(C)(C)OC(=O)NC[C@H]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000922178776 1322472770 /nfs/dbraw/zinc/47/27/70/1322472770.db2.gz QXSLUAJNGNCKIY-HOCLYGCPSA-N 2 0 344.459 3.117 10 0 EGAERP c1cc(C[NH2+]C[C@@]2(c3ccccc3)CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000922964311 1322663747 /nfs/dbraw/zinc/66/37/47/1322663747.db2.gz RNMAWSCZLOQTBW-HXUWFJFHSA-N 2 0 334.423 3.063 10 0 EGAERP Cc1nc(CN2CCC(OCCC[NH3+])CC2)sc1C(C)(C)C ZINC000923297403 1322728281 /nfs/dbraw/zinc/72/82/81/1322728281.db2.gz OUXKQYUEXSOSCU-UHFFFAOYSA-N 2 0 325.522 3.079 10 0 EGAERP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC[NH2+]C2CC2)[C@@H]2CCCC[C@H]12 ZINC000923312073 1322731795 /nfs/dbraw/zinc/73/17/95/1322731795.db2.gz HLKZPAYAKOUMBK-ORFRNNEJSA-N 2 0 349.563 3.312 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@H](O)c2ccc(F)cc2Cl)C1 ZINC000923413870 1322747252 /nfs/dbraw/zinc/74/72/52/1322747252.db2.gz JJBIRGGZSHQQGJ-DOTOQJQBSA-N 2 0 328.859 3.209 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOc1ccc3ccccc3c1)CC2 ZINC000923449651 1322753472 /nfs/dbraw/zinc/75/34/72/1322753472.db2.gz POXOWBMIDKWHPA-FQEVSTJZSA-N 2 0 340.467 3.048 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCOc1cccc3ccccc31)CC2 ZINC000923448699 1322753701 /nfs/dbraw/zinc/75/37/01/1322753701.db2.gz GLDQOVDOWGJCLG-GOSISDBHSA-N 2 0 340.467 3.048 10 0 EGAERP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923495691 1322761362 /nfs/dbraw/zinc/76/13/62/1322761362.db2.gz DZLXKBZRYHYQFR-NFAWXSAZSA-N 2 0 348.878 3.292 10 0 EGAERP C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923502461 1322763456 /nfs/dbraw/zinc/76/34/56/1322763456.db2.gz ZHSKRBRDLSJYBT-NEPJUHHUSA-N 2 0 344.286 3.239 10 0 EGAERP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923502189 1322763550 /nfs/dbraw/zinc/76/35/50/1322763550.db2.gz XXVDFZYWUYFBRF-WMLDXEAASA-N 2 0 346.906 3.310 10 0 EGAERP FC(F)C(F)(F)COCC[NH+]1CCC([C@H]2CCC[NH2+]CC2)CC1 ZINC000923506511 1322765685 /nfs/dbraw/zinc/76/56/85/1322765685.db2.gz JBMICRVCJAUULI-ZDUSSCGKSA-N 2 0 340.405 3.005 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000924855783 1323189308 /nfs/dbraw/zinc/18/93/08/1323189308.db2.gz RXWRHELYMSXHSN-HZPDHXFCSA-N 2 0 341.540 3.390 10 0 EGAERP C[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924965960 1323231707 /nfs/dbraw/zinc/23/17/07/1323231707.db2.gz LCGPRGYNIKCZEO-CYBMUJFWSA-N 2 0 349.466 3.445 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)S3)cc1 ZINC000924968276 1323232155 /nfs/dbraw/zinc/23/21/55/1323232155.db2.gz BWWQSVTWIABICN-JLYLLQBASA-N 2 0 334.529 3.186 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc2c1OCO2 ZINC000925070242 1323265392 /nfs/dbraw/zinc/26/53/92/1323265392.db2.gz DUVQIVUKFYLPKX-CYBMUJFWSA-N 2 0 330.403 3.467 10 0 EGAERP Cc1cccc(C)c1NC(=O)CCC[N@H+]1C[C@@]2(C)CN(C)C[C@@]2(C)C1 ZINC000931309007 1329090452 /nfs/dbraw/zinc/09/04/52/1329090452.db2.gz PXCCUXZLJOTMDP-OYRHEFFESA-N 2 0 343.515 3.296 10 0 EGAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)C[C@](C)(O)c1ccccc1 ZINC000859994884 1329124082 /nfs/dbraw/zinc/12/40/82/1329124082.db2.gz GPYJDOUBYWEAIM-NRFANRHFSA-N 2 0 326.484 3.478 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)C2)c1 ZINC000925502665 1325181059 /nfs/dbraw/zinc/18/10/59/1325181059.db2.gz GXQVHLFMFLEJCL-YESZJQIVSA-N 2 0 331.504 3.160 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925508565 1325183611 /nfs/dbraw/zinc/18/36/11/1325183611.db2.gz HDZGMIRXYAOSBE-MNEFBYGVSA-N 2 0 326.488 3.101 10 0 EGAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515993 1325187161 /nfs/dbraw/zinc/18/71/61/1325187161.db2.gz QWSDUFOPWYIHCA-DFBGVHRSSA-N 2 0 339.277 3.076 10 0 EGAERP Cc1nc2ccccc2n1CC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925516564 1325187375 /nfs/dbraw/zinc/18/73/75/1325187375.db2.gz DQSTYWNSBANNFF-MSOLQXFVSA-N 2 0 326.488 3.103 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533984 1325196159 /nfs/dbraw/zinc/19/61/59/1325196159.db2.gz HUYOEOAJXNPRRU-GJZGRUSLSA-N 2 0 336.476 3.098 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925551853 1325205189 /nfs/dbraw/zinc/20/51/89/1325205189.db2.gz UFQGNZVYBUDNCA-UONOGXRCSA-N 2 0 337.895 3.473 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+](CC(C)C)C2)n(C)n1 ZINC000925589180 1325223474 /nfs/dbraw/zinc/22/34/74/1325223474.db2.gz VZHNTGWSCKRBHS-ZJOUEHCJSA-N 2 0 346.563 3.397 10 0 EGAERP CCC1(C[NH2+][C@@H]2CCC2(OC)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000925621081 1325234761 /nfs/dbraw/zinc/23/47/61/1325234761.db2.gz YTQPSOKCWMOFJO-LJQANCHMSA-N 2 0 346.515 3.420 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653555 1325248607 /nfs/dbraw/zinc/24/86/07/1325248607.db2.gz NCHRJBKPGKRVRY-RNQOJCNYSA-N 2 0 327.516 3.269 10 0 EGAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1[C@@H]3Cc4c(cccc4Br)[C@@H]31)[NH2+]2 ZINC000925724124 1325270471 /nfs/dbraw/zinc/27/04/71/1325270471.db2.gz GTFIUQHVMKFDOW-XDYBMWTLSA-N 2 0 347.300 3.206 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925791128 1325302402 /nfs/dbraw/zinc/30/24/02/1325302402.db2.gz NLZCXYYSUHUACI-VYDXJSESSA-N 2 0 332.492 3.066 10 0 EGAERP COC[C@@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000925798032 1325306642 /nfs/dbraw/zinc/30/66/42/1325306642.db2.gz KICVQDLDLKUBQC-XNRPHZJLSA-N 2 0 330.394 3.228 10 0 EGAERP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806750 1325308714 /nfs/dbraw/zinc/30/87/14/1325308714.db2.gz AGJKMHKOBIAEHW-INIZCTEOSA-N 2 0 329.513 3.313 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cc(F)cc(F)c1 ZINC000925810721 1325310842 /nfs/dbraw/zinc/31/08/42/1325310842.db2.gz XMESLGYOFXYMTR-OAHLLOKOSA-N 2 0 345.437 3.221 10 0 EGAERP CC(C)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cc1F ZINC000925811993 1325312170 /nfs/dbraw/zinc/31/21/70/1325312170.db2.gz LURBULSQGQWPIS-QGZVFWFLSA-N 2 0 327.875 3.189 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cc1 ZINC000925811319 1325313130 /nfs/dbraw/zinc/31/31/30/1325313130.db2.gz ZQXFCLWCJNUMSV-INIZCTEOSA-N 2 0 327.447 3.082 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925816273 1325314606 /nfs/dbraw/zinc/31/46/06/1325314606.db2.gz XPDOXFBRHGGEFC-SFTDATJTSA-N 2 0 345.531 3.123 10 0 EGAERP FC(F)(F)[C@@H]1CC[C@H](CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)O1 ZINC000925831527 1325320364 /nfs/dbraw/zinc/32/03/64/1325320364.db2.gz UDZCBJLROGZEJQ-CWVYHPPDSA-N 2 0 334.426 3.387 10 0 EGAERP CC(C)CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850100 1325329503 /nfs/dbraw/zinc/32/95/03/1325329503.db2.gz NBWWKXIHIPDIFH-DLBZAZTESA-N 2 0 334.460 3.032 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1 ZINC000925857821 1325332612 /nfs/dbraw/zinc/33/26/12/1325332612.db2.gz SVHVHHJLYCHURY-CVEARBPZSA-N 2 0 336.863 3.066 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c(C)c1OC ZINC000925880693 1325340607 /nfs/dbraw/zinc/34/06/07/1325340607.db2.gz NJQPFOJVDYQROZ-OKZBNKHCSA-N 2 0 332.488 3.413 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)C1 ZINC000925886956 1325342858 /nfs/dbraw/zinc/34/28/58/1325342858.db2.gz OBUYQNCGGRTVCS-ZKXLYKBJSA-N 2 0 334.554 3.015 10 0 EGAERP CSC1(C[NH2+][C@@H](C)c2ccnn2CC2CCC2)CC[NH+](C)CC1 ZINC000926447782 1325557873 /nfs/dbraw/zinc/55/78/73/1325557873.db2.gz GMCAVACYDJMHTE-HNNXBMFYSA-N 2 0 336.549 3.161 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2Cc2cnn(C)c2)CC1 ZINC000926707938 1327676952 /nfs/dbraw/zinc/67/69/52/1327676952.db2.gz VVKIZRKJMSERJC-AZUAARDMSA-N 2 0 332.536 3.231 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(-n2cnnc2)c1 ZINC000926799026 1327721938 /nfs/dbraw/zinc/72/19/38/1327721938.db2.gz ZJOZZPWQYZUNLE-DMKPSLHHSA-N 2 0 327.476 3.181 10 0 EGAERP CCN1CC[C@@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926857596 1327742903 /nfs/dbraw/zinc/74/29/03/1327742903.db2.gz FKNCEOZUVKCBQK-OTYNDTSQSA-N 2 0 327.516 3.256 10 0 EGAERP C[NH2+]C[C@@H](O)c1cccc(-c2cc(C[NH+]3CCCC3)ccc2F)c1 ZINC000863691546 1329575482 /nfs/dbraw/zinc/57/54/82/1329575482.db2.gz GIJRIPYDLBUKKA-HXUWFJFHSA-N 2 0 328.431 3.341 10 0 EGAERP CC(=O)NCC1CCC([NH2+]C2CC[NH+](C3CCCCC3)CC2)CC1 ZINC000865480682 1329703380 /nfs/dbraw/zinc/70/33/80/1329703380.db2.gz PBQMOQPOZZJSOL-UHFFFAOYSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CC(=O)Nc1cccc(F)c1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866515423 1330120515 /nfs/dbraw/zinc/12/05/15/1330120515.db2.gz BFHIBXJKGXALEP-ASFAAARLSA-N 2 0 335.467 3.395 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000866529159 1330122352 /nfs/dbraw/zinc/12/23/52/1330122352.db2.gz MTXHAHQWMPLGFI-MJGOQNOKSA-N 2 0 346.515 3.484 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC000866717762 1330144356 /nfs/dbraw/zinc/14/43/56/1330144356.db2.gz OLJFKQPWZJHMBX-FQEVSTJZSA-N 3 0 347.547 3.037 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001323005413 1387264388 /nfs/dbraw/zinc/26/43/88/1387264388.db2.gz JUROOHCFHLYUFW-KRWDZBQOSA-N 2 0 349.544 3.098 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)CC(C)(C)C ZINC001323062087 1387278728 /nfs/dbraw/zinc/27/87/28/1387278728.db2.gz FLMHEDOUBHCHDX-GOSISDBHSA-N 2 0 349.563 3.029 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C1CCCCCC1 ZINC001323722231 1387432184 /nfs/dbraw/zinc/43/21/84/1387432184.db2.gz NNXXIDOEEHHRMU-RBUKOAKNSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2ccsc2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324097638 1387540428 /nfs/dbraw/zinc/54/04/28/1387540428.db2.gz LUNQPCGKLZUBLG-WMZOPIPTSA-N 2 0 349.544 3.093 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001324187297 1387553583 /nfs/dbraw/zinc/55/35/83/1387553583.db2.gz QVRUKOGLWQSTLZ-INIZCTEOSA-N 2 0 328.460 3.027 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001324200764 1387555967 /nfs/dbraw/zinc/55/59/67/1387555967.db2.gz YDWWTRWGYHNUBW-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001324342907 1387601820 /nfs/dbraw/zinc/60/18/20/1387601820.db2.gz LWTGIOCWNJKAGK-UHFFFAOYSA-N 2 0 337.552 3.413 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001324494629 1387647394 /nfs/dbraw/zinc/64/73/94/1387647394.db2.gz IDSIFDFBCLXUPZ-SFHVURJKSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001324557150 1387672603 /nfs/dbraw/zinc/67/26/03/1387672603.db2.gz OYGWOGLSMWEVDW-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001324936826 1387834001 /nfs/dbraw/zinc/83/40/01/1387834001.db2.gz QGALDWQEZFVCJQ-PZJWPPBQSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCc1noc(C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)n1 ZINC001197194300 1368762569 /nfs/dbraw/zinc/76/25/69/1368762569.db2.gz LEXTVGXZKZUBHA-UHFFFAOYSA-N 2 0 336.524 3.458 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001325454734 1387977691 /nfs/dbraw/zinc/97/76/91/1387977691.db2.gz GVUIXANHLVQRDF-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP c1ccc(NCCC[NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)nc1 ZINC001200901147 1369446660 /nfs/dbraw/zinc/44/66/60/1369446660.db2.gz GJIPKELIXCIPER-IBGZPJMESA-N 2 0 341.455 3.231 10 0 EGAERP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1CC[NH+](C)CC1)C2 ZINC001325628318 1388014892 /nfs/dbraw/zinc/01/48/92/1388014892.db2.gz BVSHYZMINXLPRY-FNLKRUPLSA-N 2 0 349.563 3.124 10 0 EGAERP c1cc(C[NH2+]CCc2nsc3ccccc23)n(-c2cc[nH+]cc2)n1 ZINC001203249574 1370039748 /nfs/dbraw/zinc/03/97/48/1370039748.db2.gz RZPCPXAPAFGNOE-UHFFFAOYSA-N 2 0 335.436 3.209 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]3[C@@H]2CC[NH+]3CCCC(C)(C)C)C1 ZINC001325921023 1388086302 /nfs/dbraw/zinc/08/63/02/1388086302.db2.gz NDRRNXNDFHNMEY-QRVBRYPASA-N 2 0 349.563 3.220 10 0 EGAERP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)cc2)cn1 ZINC001118379749 1371170127 /nfs/dbraw/zinc/17/01/27/1371170127.db2.gz NTYWPYRVCVLTBF-HXUWFJFHSA-N 2 0 338.499 3.299 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CCC2)CC1 ZINC001326927276 1388352390 /nfs/dbraw/zinc/35/23/90/1388352390.db2.gz DGMLJOYQCSYAEL-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001326927555 1388352206 /nfs/dbraw/zinc/35/22/06/1388352206.db2.gz DNXXNZMTSWNVHG-SFHVURJKSA-N 2 0 335.536 3.092 10 0 EGAERP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCCC[C@@H]3[NH3+])c2)CC1 ZINC001327106436 1388382124 /nfs/dbraw/zinc/38/21/24/1388382124.db2.gz BJNONDKFJJBZNV-UXHICEINSA-N 2 0 343.515 3.417 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001265736214 1377164692 /nfs/dbraw/zinc/16/46/92/1377164692.db2.gz LFDGJGIVMRZKIM-YRNICUPUSA-N 2 0 335.536 3.234 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001266328225 1377275300 /nfs/dbraw/zinc/27/53/00/1377275300.db2.gz WVAPNTKNCRBEAN-QGZVFWFLSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001136164134 1377359786 /nfs/dbraw/zinc/35/97/86/1377359786.db2.gz HYSQXMJMDGMTBK-DLBZAZTESA-N 2 0 331.504 3.445 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001268114255 1377487324 /nfs/dbraw/zinc/48/73/24/1377487324.db2.gz OMLWGUBWJCQDPI-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275136708 1378135583 /nfs/dbraw/zinc/13/55/83/1378135583.db2.gz YSYAXCGSYVXZOA-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001275768222 1378156190 /nfs/dbraw/zinc/15/61/90/1378156190.db2.gz NTLWBZQFSFPFEQ-SLXDBMQSSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C\CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277423818 1378222506 /nfs/dbraw/zinc/22/25/06/1378222506.db2.gz WERYXFHVXMTYTM-RURPWVQCSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280163574 1378332083 /nfs/dbraw/zinc/33/20/83/1378332083.db2.gz JONPKCMGIHDREP-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001281684233 1378449494 /nfs/dbraw/zinc/44/94/94/1378449494.db2.gz JOUNYCUIRUULOF-UYAOXDASSA-N 2 0 345.531 3.196 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@]3(C2)CCCN(C(=O)CC[NH+](C)C)C3)CC1 ZINC001327530406 1388552543 /nfs/dbraw/zinc/55/25/43/1388552543.db2.gz PPCDTHSTVKKKHP-GZNCHQMQSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001281968894 1378465866 /nfs/dbraw/zinc/46/58/66/1378465866.db2.gz QZHNOVLUPKJTAM-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCC(C)C)C2)C1)[NH+](C)C ZINC001327532444 1388553556 /nfs/dbraw/zinc/55/35/56/1388553556.db2.gz YHXNFVPCANQBMM-UYAOXDASSA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001282677749 1378548089 /nfs/dbraw/zinc/54/80/89/1378548089.db2.gz GPJRDIHSMVDIED-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)=CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001282681049 1378553535 /nfs/dbraw/zinc/55/35/35/1378553535.db2.gz FANZDNBKWRPISV-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001282800012 1378617097 /nfs/dbraw/zinc/61/70/97/1378617097.db2.gz HRRXBMBXDJVDRA-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001283051582 1378717411 /nfs/dbraw/zinc/71/74/11/1378717411.db2.gz APVVFWDOQINUHS-CADBVGFASA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001283310366 1378797496 /nfs/dbraw/zinc/79/74/96/1378797496.db2.gz KYYLGEFPEHERPK-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001283534756 1379005553 /nfs/dbraw/zinc/00/55/53/1379005553.db2.gz ZGTQPDBTKNVNQZ-IBGZPJMESA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001283617988 1379056354 /nfs/dbraw/zinc/05/63/54/1379056354.db2.gz OIXAWGOYBLMBAA-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001283623966 1379061386 /nfs/dbraw/zinc/06/13/86/1379061386.db2.gz XUGPRTLQKPWZJR-LPHOPBHVSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001283655261 1379087016 /nfs/dbraw/zinc/08/70/16/1379087016.db2.gz WFCFLFFCMIIZCM-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001283912733 1379263100 /nfs/dbraw/zinc/26/31/00/1379263100.db2.gz DCOVLNTXAIWHNO-FUHWJXTLSA-N 2 0 335.536 3.044 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCC(C)C)[C@H]2C)o1 ZINC001283938477 1379287785 /nfs/dbraw/zinc/28/77/85/1379287785.db2.gz IOLQABSOFDQQLG-AEFFLSMTSA-N 2 0 349.519 3.360 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)CN1C(=O)CC[NH+](C)C ZINC001284005903 1379357252 /nfs/dbraw/zinc/35/72/52/1379357252.db2.gz YJLJQAZPZXFAFY-LPHOPBHVSA-N 2 0 345.531 3.015 10 0 EGAERP CN1CCC[C@@H]1C(=O)N[C@]12CCC[C@H]1[N@H+](CCCC(C)(C)C)CC2 ZINC001284055816 1379406460 /nfs/dbraw/zinc/40/64/60/1379406460.db2.gz CITJDGAGHCOXAJ-HLIPFELVSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CCCC1CCCC1)CC2 ZINC001284071194 1379434112 /nfs/dbraw/zinc/43/41/12/1379434112.db2.gz WQNRYEMSGNFZRA-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001284072786 1379438477 /nfs/dbraw/zinc/43/84/77/1379438477.db2.gz VWVKZEYUHNKFQW-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001284188310 1379580647 /nfs/dbraw/zinc/58/06/47/1379580647.db2.gz HOQQHQSGJZCNEX-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@@H]3CC[NH+]3C3CCCCCC3)C[N@@H+]2C1 ZINC001152053389 1379853348 /nfs/dbraw/zinc/85/33/48/1379853348.db2.gz RHFNQRJOVUYZKJ-UMGGQSCQSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001284529880 1379933881 /nfs/dbraw/zinc/93/38/81/1379933881.db2.gz NPFMERGGEVENGP-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC1CCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284533972 1379940489 /nfs/dbraw/zinc/94/04/89/1379940489.db2.gz UMLFCKQEHMGVQW-FQEVSTJZSA-N 2 0 349.563 3.077 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C(=O)C[NH+]2CC[C@H](C)C2)C(C)C)c1 ZINC001284544071 1379950776 /nfs/dbraw/zinc/95/07/76/1379950776.db2.gz KTZYLRHNUDHIJB-IBGZPJMESA-N 2 0 345.531 3.006 10 0 EGAERP C[C@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001284725729 1380146358 /nfs/dbraw/zinc/14/63/58/1380146358.db2.gz DJXOXCFCSCVXBH-HKUYNNGSSA-N 2 0 347.547 3.045 10 0 EGAERP CC1([NH2+]Cc2ccsc2)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001328050518 1388654462 /nfs/dbraw/zinc/65/44/62/1388654462.db2.gz LZIHZZSKNNBMGK-UHFFFAOYSA-N 2 0 349.544 3.095 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001328084403 1388666936 /nfs/dbraw/zinc/66/69/36/1388666936.db2.gz YIIUKYQAVRTKIY-IWAYRVGRSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC001292582849 1382204327 /nfs/dbraw/zinc/20/43/27/1382204327.db2.gz POMRXZJEWIUCTK-MSOLQXFVSA-N 2 0 339.568 3.323 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001328812034 1388878767 /nfs/dbraw/zinc/87/87/67/1388878767.db2.gz HXYZVGCTZLEIDE-KKHYBRAUSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1ccccc1OCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308040601 1384079601 /nfs/dbraw/zinc/07/96/01/1384079601.db2.gz LVHSQHJNSSXISK-SFHVURJKSA-N 2 0 325.456 3.370 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001316622878 1384488544 /nfs/dbraw/zinc/48/85/44/1384488544.db2.gz QJPHPDZTKRVQKY-PUZFROQSSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316629321 1384493582 /nfs/dbraw/zinc/49/35/82/1384493582.db2.gz HDQAAPDMICMGIZ-NOWNXGDRSA-N 2 0 347.547 3.234 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001316661344 1384509712 /nfs/dbraw/zinc/50/97/12/1384509712.db2.gz KTNROGGPKIIPND-XKGZKEIXSA-N 2 0 345.531 3.282 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]C/C=C/Cl)C1)CC(C)(C)C ZINC001316772880 1384571227 /nfs/dbraw/zinc/57/12/27/1384571227.db2.gz LWBZDKCGMLHEKJ-DZZUKKPASA-N 2 0 343.943 3.078 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CCC1CCCC1 ZINC001316806724 1384598987 /nfs/dbraw/zinc/59/89/87/1384598987.db2.gz MGHFTKHLHXGNCN-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316809592 1384605438 /nfs/dbraw/zinc/60/54/38/1384605438.db2.gz DCWDGSIQGQFETG-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP Cc1cc(C)c(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)c(C)c1 ZINC001316835724 1384626643 /nfs/dbraw/zinc/62/66/43/1384626643.db2.gz REGBXYVFKLBHAT-HXUWFJFHSA-N 2 0 345.531 3.034 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1ccccc1 ZINC001316903379 1384683208 /nfs/dbraw/zinc/68/32/08/1384683208.db2.gz JJPORXTXKAIGSH-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP Cc1cc(C[NH+](CCCNC(=O)[C@H]2CCCC[N@H+]2C)C2CC2)cs1 ZINC001316917512 1384687791 /nfs/dbraw/zinc/68/77/91/1384687791.db2.gz DLDHJCSXMJGDTE-GOSISDBHSA-N 2 0 349.544 3.012 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001316934756 1384705928 /nfs/dbraw/zinc/70/59/28/1384705928.db2.gz USGJEPAKYMTXIO-RURPWVQCSA-N 2 0 335.536 3.140 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001316986672 1384743087 /nfs/dbraw/zinc/74/30/87/1384743087.db2.gz ROQHXEGGRGGDPS-KFONASLZSA-N 2 0 347.547 3.330 10 0 EGAERP CCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001317008018 1384771861 /nfs/dbraw/zinc/77/18/61/1384771861.db2.gz UCIUJXQBXAAIJL-OALUTQOASA-N 2 0 343.515 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001317026972 1384794107 /nfs/dbraw/zinc/79/41/07/1384794107.db2.gz OQMCRJNLTXWRFS-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317041524 1384815016 /nfs/dbraw/zinc/81/50/16/1384815016.db2.gz CMSZJCABLRUVCH-IDPBEMBBSA-N 2 0 337.552 3.099 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001317084969 1384847336 /nfs/dbraw/zinc/84/73/36/1384847336.db2.gz CFQODXFOSARBLO-GUDVDZBRSA-N 2 0 335.536 3.066 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317105992 1384870201 /nfs/dbraw/zinc/87/02/01/1384870201.db2.gz POHMTXMEAVFZIP-NHQAVIFJSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001329057935 1388949579 /nfs/dbraw/zinc/94/95/79/1388949579.db2.gz XOTXAZVDYJKRFA-ROUUACIJSA-N 2 0 345.531 3.079 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317150150 1384917254 /nfs/dbraw/zinc/91/72/54/1384917254.db2.gz AHEQEJBLZHYIHL-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001317200160 1384975264 /nfs/dbraw/zinc/97/52/64/1384975264.db2.gz PGFYQRQYCPPSCG-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)(C)CCC[NH2+]C1CCC(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001317220546 1385001072 /nfs/dbraw/zinc/00/10/72/1385001072.db2.gz CPEXYQRMUNZDSY-NGICGMGXSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)cc2C)C1 ZINC001317262707 1385031893 /nfs/dbraw/zinc/03/18/93/1385031893.db2.gz BROIEOMWOYZKRX-UYAOXDASSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001317288109 1385061004 /nfs/dbraw/zinc/06/10/04/1385061004.db2.gz FOUIHFCFNUHUCP-SJORKVTESA-N 2 0 331.504 3.061 10 0 EGAERP C[N@H+](CC(=O)NCCC[C@@H]1CCC[NH+]1CC1=CCCCC1)C1CCC1 ZINC001317423488 1385130187 /nfs/dbraw/zinc/13/01/87/1385130187.db2.gz LQJCOEBPGSIAIS-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001317423495 1385130293 /nfs/dbraw/zinc/13/02/93/1385130293.db2.gz LSGQKWRDBNPUSQ-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317430596 1385135088 /nfs/dbraw/zinc/13/50/88/1385135088.db2.gz XRGJEXVXYKSJJV-YJTGKBQXSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CC1 ZINC001317430957 1385135821 /nfs/dbraw/zinc/13/58/21/1385135821.db2.gz CSHGOUMTTWBQBG-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CCc1ccc2ccccc2c1C[NH+]1CCC(O)(C[NH+](C)C)CC1 ZINC001174993809 1385180364 /nfs/dbraw/zinc/18/03/64/1385180364.db2.gz OOPQUWIMIRTEEE-UHFFFAOYSA-N 2 0 326.484 3.291 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001317490615 1385190444 /nfs/dbraw/zinc/19/04/44/1385190444.db2.gz CLQWUYLFDJQQDA-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001317500651 1385201734 /nfs/dbraw/zinc/20/17/34/1385201734.db2.gz BASQKAKMWBSLPN-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317517227 1385233308 /nfs/dbraw/zinc/23/33/08/1385233308.db2.gz RUWKTZFHIQYHRB-YJBOKZPZSA-N 2 0 349.906 3.077 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CCC(C)(C)C)C1CC1 ZINC001317552713 1385315227 /nfs/dbraw/zinc/31/52/27/1385315227.db2.gz BBZJQJQRHCYWFQ-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001317786583 1385479188 /nfs/dbraw/zinc/47/91/88/1385479188.db2.gz BTXKQMSNXZJUSV-SLFFLAALSA-N 2 0 347.547 3.045 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C/C=C\Cl)C1)c1ccccc1 ZINC001317913559 1385567267 /nfs/dbraw/zinc/56/72/67/1385567267.db2.gz UPPSNDLULGPQPW-RFOLTBDASA-N 2 0 349.906 3.013 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001317917240 1385567353 /nfs/dbraw/zinc/56/73/53/1385567353.db2.gz FIPHGKMIPPSNLU-XOUUWWQPSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001317934421 1385574142 /nfs/dbraw/zinc/57/41/42/1385574142.db2.gz XSHKXKZAXWLFHA-MGBKSAOESA-N 2 0 335.536 3.188 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001318452046 1385697200 /nfs/dbraw/zinc/69/72/00/1385697200.db2.gz DEWIJLCMVGFGKE-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001318982846 1385908904 /nfs/dbraw/zinc/90/89/04/1385908904.db2.gz BOSUQCNQKDEFOP-MXVIHJGJSA-N 2 0 343.515 3.345 10 0 EGAERP CCCCCC[NH+]1CCC(CCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001319021226 1385931127 /nfs/dbraw/zinc/93/11/27/1385931127.db2.gz VVSFRLJHJMFCEP-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)N(C)C(=O)CC[NH+](C)C ZINC001319526201 1386161710 /nfs/dbraw/zinc/16/17/10/1386161710.db2.gz VVVZTMBAWVQFKY-IAGOWNOFSA-N 2 0 347.547 3.433 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001319633097 1386221019 /nfs/dbraw/zinc/22/10/19/1386221019.db2.gz DPQBSDOVHYORPT-MJGOQNOKSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCC1CCC1)C1CCCCC1 ZINC001319649597 1386232897 /nfs/dbraw/zinc/23/28/97/1386232897.db2.gz ZNNVNFLHVVVAJY-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1cc(C[NH2+]CC[C@H]2CCCCN2C(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC001319735409 1386274152 /nfs/dbraw/zinc/27/41/52/1386274152.db2.gz FHRRRRHFSQJHJK-MSOLQXFVSA-N 2 0 349.544 3.012 10 0 EGAERP C[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001319777529 1386292540 /nfs/dbraw/zinc/29/25/40/1386292540.db2.gz HZHDFLDGTUJTQI-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001698638796 1406285700 /nfs/dbraw/zinc/28/57/00/1406285700.db2.gz KMFDJUANXOGQBQ-IBGZPJMESA-N 2 0 343.515 3.034 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001320112171 1386520162 /nfs/dbraw/zinc/52/01/62/1386520162.db2.gz SJNRDMABCXBGCP-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C2CC2)CC1 ZINC001698651097 1406300775 /nfs/dbraw/zinc/30/07/75/1406300775.db2.gz ITYVZHNIMJKIGY-HXUWFJFHSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[NH2+]C[C@@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001698651294 1406301444 /nfs/dbraw/zinc/30/14/44/1406301444.db2.gz JLDRPIGVJUEMRY-HXUWFJFHSA-N 2 0 337.552 3.027 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001320147316 1386535006 /nfs/dbraw/zinc/53/50/06/1386535006.db2.gz POVBFWIYPTYVFS-WWAPKCSDSA-N 2 0 347.547 3.236 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163876 1386542868 /nfs/dbraw/zinc/54/28/68/1386542868.db2.gz KIIGWLFWVKECDZ-RTBURBONSA-N 2 0 349.563 3.339 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320777048 1386714950 /nfs/dbraw/zinc/71/49/50/1386714950.db2.gz GGMFJVCTECMLSK-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320891767 1386749860 /nfs/dbraw/zinc/74/98/60/1386749860.db2.gz RBPZJLVQQXBTRW-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1F ZINC001321250415 1386857015 /nfs/dbraw/zinc/85/70/15/1386857015.db2.gz NNQVAJGOUSPKPQ-FDMDGMSGSA-N 2 0 349.494 3.127 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001698679685 1406327321 /nfs/dbraw/zinc/32/73/21/1406327321.db2.gz OZAITACFHIRDOQ-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001321662763 1386952193 /nfs/dbraw/zinc/95/21/93/1386952193.db2.gz JLXOGXGUNIPUMZ-APWZRJJASA-N 2 0 349.494 3.013 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001322181694 1387090072 /nfs/dbraw/zinc/09/00/72/1387090072.db2.gz AMKPQPZERLFZAJ-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C[N@H+](C)[C@@H](C)c1ccc(F)cc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322217798 1387106994 /nfs/dbraw/zinc/10/69/94/1387106994.db2.gz HZRBZYZHOYPTRR-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001322359435 1387169618 /nfs/dbraw/zinc/16/96/18/1387169618.db2.gz JUTWIPRJFBXVPV-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001698701938 1406344519 /nfs/dbraw/zinc/34/45/19/1406344519.db2.gz WLMBSBJKMWNYLE-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001322542865 1387203697 /nfs/dbraw/zinc/20/36/97/1387203697.db2.gz GEAMHNYTJYCGAU-UHFFFAOYSA-N 2 0 345.531 3.034 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1ccc(F)cc1 ZINC001329500240 1389132188 /nfs/dbraw/zinc/13/21/88/1389132188.db2.gz FQIKNMBWTGMXDU-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCCC2)C1 ZINC001329861898 1389239567 /nfs/dbraw/zinc/23/95/67/1389239567.db2.gz XGIHIJZJDZDGRM-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001698719869 1406364848 /nfs/dbraw/zinc/36/48/48/1406364848.db2.gz JSLZHUGPVZQIPM-WOJBJXKFSA-N 2 0 343.515 3.065 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001329939390 1389268089 /nfs/dbraw/zinc/26/80/89/1389268089.db2.gz SVOPOUAEIKOSFN-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001698725670 1406375211 /nfs/dbraw/zinc/37/52/11/1406375211.db2.gz NKFAPLXIUSVSJS-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001698727128 1406378077 /nfs/dbraw/zinc/37/80/77/1406378077.db2.gz SWHMLPSSLPCTFO-HDICACEKSA-N 2 0 335.536 3.044 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001330685717 1389496096 /nfs/dbraw/zinc/49/60/96/1389496096.db2.gz BDYXFCULWCSBEO-MKXGPGLRSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001330709498 1389505761 /nfs/dbraw/zinc/50/57/61/1389505761.db2.gz VJWDHZSRVGZMBZ-WDSOQIARSA-N 2 0 349.563 3.027 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCc2c1cc(Cl)cc2Br ZINC001331756302 1389867359 /nfs/dbraw/zinc/86/73/59/1389867359.db2.gz RIDPUYTXGDJHFX-AWEZNQCLSA-N 2 0 347.684 3.045 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001332116022 1389993570 /nfs/dbraw/zinc/99/35/70/1389993570.db2.gz GQAZKDFLRCJNMM-TZIWHRDSSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001332117447 1389994371 /nfs/dbraw/zinc/99/43/71/1389994371.db2.gz MHWZXQZDWONIPC-CUWPLCDZSA-N 2 0 343.515 3.201 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)C1(C[NH+](C)C)CC1)C(C)C ZINC001332722715 1390168919 /nfs/dbraw/zinc/16/89/19/1390168919.db2.gz KDCKIULVSKVWQS-UHFFFAOYSA-N 2 0 345.531 3.006 10 0 EGAERP CC(C)N(CCN(C)[C@@H](C)c1ccccc1F)C(=O)Cc1cnc[nH]1 ZINC001332732973 1390173585 /nfs/dbraw/zinc/17/35/85/1390173585.db2.gz WMDKROBSFTWOIE-HNNXBMFYSA-N 2 0 346.450 3.021 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001332857465 1390202119 /nfs/dbraw/zinc/20/21/19/1390202119.db2.gz MNGKYUJRFXVCAZ-FUHWJXTLSA-N 2 0 337.552 3.029 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)O1 ZINC001333017002 1390237533 /nfs/dbraw/zinc/23/75/33/1390237533.db2.gz LXSISSNJHLNRTK-KFWWJZLASA-N 2 0 330.350 3.035 10 0 EGAERP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC001349473339 1391333842 /nfs/dbraw/zinc/33/38/42/1391333842.db2.gz MGXRXXASLLFEJT-XUVXKRRUSA-N 2 0 343.515 3.093 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001479328089 1392215599 /nfs/dbraw/zinc/21/55/99/1392215599.db2.gz LIEABWRZTWTKMM-GPXQEHKYSA-N 2 0 335.536 3.090 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001479557137 1392274786 /nfs/dbraw/zinc/27/47/86/1392274786.db2.gz IXBXYVIYZSSMPE-QRTFGMIHSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001479581045 1392280691 /nfs/dbraw/zinc/28/06/91/1392280691.db2.gz OHBOXAYPZDRJCO-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)Cn1ccnc1C(C)C ZINC001479597193 1392284761 /nfs/dbraw/zinc/28/47/61/1392284761.db2.gz FTCLZAZIQBQHHB-QZTJIDSGSA-N 2 0 348.535 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+]1CCCC1 ZINC001479609848 1392285842 /nfs/dbraw/zinc/28/58/42/1392285842.db2.gz AWCIQAIMILNNBM-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479693583 1392324237 /nfs/dbraw/zinc/32/42/37/1392324237.db2.gz ZYZXLUQAPZUJFZ-RTBURBONSA-N 2 0 339.568 3.370 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001479695481 1392326167 /nfs/dbraw/zinc/32/61/67/1392326167.db2.gz LYBZBXHOYIHFCG-GOSISDBHSA-N 2 0 325.541 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C)[NH+](CC)CC ZINC001479719176 1392335937 /nfs/dbraw/zinc/33/59/37/1392335937.db2.gz ZUEXGJKVMMTOIL-NEWSRXKRSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1)[NH+](C)C ZINC001479744028 1392358072 /nfs/dbraw/zinc/35/80/72/1392358072.db2.gz BZNVSQOBVQWMBZ-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC(C)(C)C1 ZINC001479745977 1392362826 /nfs/dbraw/zinc/36/28/26/1392362826.db2.gz OMPWHJLUXCNZSG-MRXNPFEDSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CCC1CCCCC1 ZINC001479800477 1392398686 /nfs/dbraw/zinc/39/86/86/1392398686.db2.gz OBBMSVWVBNTHJJ-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001479877584 1392453456 /nfs/dbraw/zinc/45/34/56/1392453456.db2.gz VKNMDXJCQSYJAF-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001698858392 1406567144 /nfs/dbraw/zinc/56/71/44/1406567144.db2.gz CHLQEEOPSFQGGI-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001479916759 1392483477 /nfs/dbraw/zinc/48/34/77/1392483477.db2.gz RMFMPUWNCBRREY-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957211 1392493862 /nfs/dbraw/zinc/49/38/62/1392493862.db2.gz OKJKSRPBUDBWFY-QGZVFWFLSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1c(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001480031653 1392542782 /nfs/dbraw/zinc/54/27/82/1392542782.db2.gz YJAOTRPASYRULK-SFHVURJKSA-N 2 0 342.487 3.177 10 0 EGAERP CC1(C)CCC(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001480238785 1392631394 /nfs/dbraw/zinc/63/13/94/1392631394.db2.gz XFBHDRCJQHWVON-KDURUIRLSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001480266169 1392650443 /nfs/dbraw/zinc/65/04/43/1392650443.db2.gz QEQCAVRLZDYRRT-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001480283254 1392658714 /nfs/dbraw/zinc/65/87/14/1392658714.db2.gz IXEXLRRCBIVKGC-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001480294245 1392663265 /nfs/dbraw/zinc/66/32/65/1392663265.db2.gz YIZKQDHRXWXMHL-RBUKOAKNSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001480318655 1392679445 /nfs/dbraw/zinc/67/94/45/1392679445.db2.gz CLGHXUAOLICUFF-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001480335330 1392693916 /nfs/dbraw/zinc/69/39/16/1392693916.db2.gz QNKZXJCQOXPUGP-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001480365362 1392708987 /nfs/dbraw/zinc/70/89/87/1392708987.db2.gz DJQLUTOESGQIDC-PMACEKPBSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001480378245 1392721281 /nfs/dbraw/zinc/72/12/81/1392721281.db2.gz APHQQANACIQQHJ-ZBKUBXTQSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCC1)c1ccccc1 ZINC001480568795 1392795655 /nfs/dbraw/zinc/79/56/55/1392795655.db2.gz ATKFSUIQPJWDIX-YLJYHZDGSA-N 2 0 345.531 3.354 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480646113 1392835522 /nfs/dbraw/zinc/83/55/22/1392835522.db2.gz OJXBHMJLZJDXJX-GHOSXJJBSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742501 1392908781 /nfs/dbraw/zinc/90/87/81/1392908781.db2.gz MKOMXZOTVIJXBQ-PHWHVTFISA-N 2 0 335.536 3.142 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001480772996 1392924394 /nfs/dbraw/zinc/92/43/94/1392924394.db2.gz SFCPLXDINTTWLS-PXNSSMCTSA-N 2 0 345.531 3.108 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480825145 1392963928 /nfs/dbraw/zinc/96/39/28/1392963928.db2.gz ZIGYSHVUONONKW-RTLRUIJZSA-N 2 0 335.536 3.044 10 0 EGAERP CC1CCC(C[N@H+](C)CCNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001480873649 1392992896 /nfs/dbraw/zinc/99/28/96/1392992896.db2.gz INUBZTVOLRSVTM-QLOJAFMTSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@H](C)c1ccccc1C ZINC001480980074 1393063706 /nfs/dbraw/zinc/06/37/06/1393063706.db2.gz IHQOIJVKWVRBLG-RTBURBONSA-N 2 0 345.531 3.369 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)CCC1CCCCCC1 ZINC001481011876 1393088176 /nfs/dbraw/zinc/08/81/76/1393088176.db2.gz QGPQSZQJWHXRHI-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccc(C)cc1C ZINC001481018489 1393094769 /nfs/dbraw/zinc/09/47/69/1393094769.db2.gz NIIANEVCARPSGX-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC001481019557 1393096080 /nfs/dbraw/zinc/09/60/80/1393096080.db2.gz XEZAHXRFDQRTHK-QUCCMNQESA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001481118838 1393124543 /nfs/dbraw/zinc/12/45/43/1393124543.db2.gz NCJXDDGQYOBSDW-IAGOWNOFSA-N 2 0 349.494 3.057 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001698883435 1406615507 /nfs/dbraw/zinc/61/55/07/1406615507.db2.gz XLSXRSUPDZTZMS-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC2CCCC2)C2CCCCC2)C1 ZINC001698884407 1406616650 /nfs/dbraw/zinc/61/66/50/1406616650.db2.gz LTLQPCOHHHLOGM-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001481383421 1394221848 /nfs/dbraw/zinc/22/18/48/1394221848.db2.gz DOYVFDCSQCCRGQ-KSZLIROESA-N 2 0 337.552 3.218 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001481406919 1394261194 /nfs/dbraw/zinc/26/11/94/1394261194.db2.gz XMILRKCNEBRARG-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC[C@@H]2CC[N@H+](CCC3CC3)C2)CCCCC1 ZINC001481441852 1394294908 /nfs/dbraw/zinc/29/49/08/1394294908.db2.gz OUHWPEMODVYDKP-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@H](CCNC(=O)C[NH+]2CCCC2)C1 ZINC001481464719 1394320770 /nfs/dbraw/zinc/32/07/70/1394320770.db2.gz LPDAJQOJFFLHLG-UYAOXDASSA-N 2 0 343.515 3.062 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481527837 1394381663 /nfs/dbraw/zinc/38/16/63/1394381663.db2.gz NBGZUJGUDJCCIU-SLVIYJBESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001481530330 1394386063 /nfs/dbraw/zinc/38/60/63/1394386063.db2.gz JUMORGANTSVSQV-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001490980746 1394390889 /nfs/dbraw/zinc/39/08/89/1394390889.db2.gz GETXTKGWGFCOQU-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001491080254 1394421136 /nfs/dbraw/zinc/42/11/36/1394421136.db2.gz PZKLGVBXXPFIHP-BGYRXZFFSA-N 2 0 349.563 3.460 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001491112296 1394432797 /nfs/dbraw/zinc/43/27/97/1394432797.db2.gz VXHWHSYISGCPRV-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491152857 1394452120 /nfs/dbraw/zinc/45/21/20/1394452120.db2.gz SORYGEMHSPLCEH-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001481693340 1394454495 /nfs/dbraw/zinc/45/44/95/1394454495.db2.gz MNJIZNWPXPFLMF-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC/C=C/c1ccccc1 ZINC001491223840 1394481363 /nfs/dbraw/zinc/48/13/63/1394481363.db2.gz FELVIQCFHKPTSB-VLUHHTHFSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001491237792 1394489668 /nfs/dbraw/zinc/48/96/68/1394489668.db2.gz WPZNKQVQOFIPOR-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CCCCC1 ZINC001481827691 1394548214 /nfs/dbraw/zinc/54/82/14/1394548214.db2.gz HLIGBQKZZWFKPD-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001481838482 1394552894 /nfs/dbraw/zinc/55/28/94/1394552894.db2.gz CHSZXVINERWYIY-LJQANCHMSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCCC(C)(C)C ZINC001481860744 1394564806 /nfs/dbraw/zinc/56/48/06/1394564806.db2.gz DKTJZLWBEPOFIM-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001481910410 1394591845 /nfs/dbraw/zinc/59/18/45/1394591845.db2.gz MFUMTIJKUYHQEX-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482282685 1394865228 /nfs/dbraw/zinc/86/52/28/1394865228.db2.gz CFYGYBUNKBJGLE-YQVWRLOYSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001482302882 1394878374 /nfs/dbraw/zinc/87/83/74/1394878374.db2.gz RDMWQZCSYDKUJQ-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482303004 1394878528 /nfs/dbraw/zinc/87/85/28/1394878528.db2.gz UIHOQGPKVBMXNV-XITLMJRVSA-N 2 0 342.487 3.439 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482455127 1395013740 /nfs/dbraw/zinc/01/37/40/1395013740.db2.gz KXFWFYBYTRSHRD-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]Cc1ccccc1 ZINC001482497342 1395049631 /nfs/dbraw/zinc/04/96/31/1395049631.db2.gz DRXQHOFCXTUAJF-UYAOXDASSA-N 2 0 345.531 3.135 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001483841916 1395107343 /nfs/dbraw/zinc/10/73/43/1395107343.db2.gz KVAXGMCDILUKRW-HRSGFYEVSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@H](CNC(=O)C12CC[NH+](CC1)C2)[NH2+]CCC1CCCCCC1 ZINC001698976781 1406746743 /nfs/dbraw/zinc/74/67/43/1406746743.db2.gz BCJDAKZRSZKPBT-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484139996 1395277098 /nfs/dbraw/zinc/27/70/98/1395277098.db2.gz ISDFCKIJISGCSP-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)NCC1(C)CC[NH+](Cc2ccccc2)CC1 ZINC001484144452 1395280174 /nfs/dbraw/zinc/28/01/74/1395280174.db2.gz FNWWTUUAEQDDKD-UHFFFAOYSA-N 2 0 345.531 3.137 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001484163830 1395298735 /nfs/dbraw/zinc/29/87/35/1395298735.db2.gz NXXGPHWBCPJDAU-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001484560290 1395443679 /nfs/dbraw/zinc/44/36/79/1395443679.db2.gz YBKMFOYRQXNQDY-FXAWDEMLSA-N 2 0 345.531 3.484 10 0 EGAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001485230100 1395724349 /nfs/dbraw/zinc/72/43/49/1395724349.db2.gz PXBPOKZOUIOGCV-HZPDHXFCSA-N 2 0 331.504 3.035 10 0 EGAERP CCCCC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001485239613 1395732887 /nfs/dbraw/zinc/73/28/87/1395732887.db2.gz UUHWVOSFRLNEAC-ABHNRTSZSA-N 2 0 325.541 3.122 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304368 1395782736 /nfs/dbraw/zinc/78/27/36/1395782736.db2.gz VTKMIPOKIXINDA-CQQBRXBZSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@@H](C)C2)c1 ZINC001698997170 1406797584 /nfs/dbraw/zinc/79/75/84/1406797584.db2.gz SRALIPZZBFPVPB-MJGOQNOKSA-N 2 0 345.531 3.096 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001698997888 1406798721 /nfs/dbraw/zinc/79/87/21/1406798721.db2.gz CFRJUEKTJQGODH-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001485570917 1396036403 /nfs/dbraw/zinc/03/64/03/1396036403.db2.gz VGUYCUNULQSOJE-SCYPMVGQSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001485694934 1396104811 /nfs/dbraw/zinc/10/48/11/1396104811.db2.gz YCAZVINKOPIPJT-RDGPPVDQSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001486154012 1396180083 /nfs/dbraw/zinc/18/00/83/1396180083.db2.gz JPQNFBZSEUKYBG-ZJOUEHCJSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001503200412 1396247334 /nfs/dbraw/zinc/24/73/34/1396247334.db2.gz KNBCFDSXXSIJGQ-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001503290530 1396250018 /nfs/dbraw/zinc/25/00/18/1396250018.db2.gz CYVMJSZYVOMXLB-GRDNDAEWSA-N 2 0 339.911 3.226 10 0 EGAERP CC[C@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491964846 1396301126 /nfs/dbraw/zinc/30/11/26/1396301126.db2.gz CHZOMJQPODDJBW-RBUKOAKNSA-N 2 0 349.494 3.033 10 0 EGAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCC1 ZINC001492091390 1396303757 /nfs/dbraw/zinc/30/37/57/1396303757.db2.gz DBUXROZXUYRWCO-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001493827698 1396343290 /nfs/dbraw/zinc/34/32/90/1396343290.db2.gz POEOZNXREMVMCS-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](C(=O)NCC1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001494598107 1396483098 /nfs/dbraw/zinc/48/30/98/1396483098.db2.gz AWPQMMAJKXEIKY-SFHVURJKSA-N 2 0 347.547 3.189 10 0 EGAERP CN(CC(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1)Cc1ccccc1 ZINC001494876372 1396504268 /nfs/dbraw/zinc/50/42/68/1396504268.db2.gz NSELIYLPZHHYTN-IBGZPJMESA-N 2 0 345.531 3.087 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCCC(C)(C)C)CCCC2)CC1 ZINC001495938356 1396573111 /nfs/dbraw/zinc/57/31/11/1396573111.db2.gz CTINFAHLUKPNJC-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001496054248 1396593065 /nfs/dbraw/zinc/59/30/65/1396593065.db2.gz FAUONZYACDQKCR-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001689051807 1396847696 /nfs/dbraw/zinc/84/76/96/1396847696.db2.gz FGSPDRKUIGDMAL-FXAWDEMLSA-N 2 0 345.531 3.031 10 0 EGAERP CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689130756 1396936176 /nfs/dbraw/zinc/93/61/76/1396936176.db2.gz DGCHYINSCODMSS-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[NH+](C(C)C)C1 ZINC001689149532 1396949370 /nfs/dbraw/zinc/94/93/70/1396949370.db2.gz BUDVSULQZJZMFY-MUGJNUQGSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C2CC[NH+](C)CC2)cc1 ZINC001498377508 1396980702 /nfs/dbraw/zinc/98/07/02/1396980702.db2.gz ZTRBIUFPGZAPGH-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001689270681 1397003353 /nfs/dbraw/zinc/00/33/53/1397003353.db2.gz UJPQKTYIVWAGSN-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001689292041 1397022690 /nfs/dbraw/zinc/02/26/90/1397022690.db2.gz PMBKYZQTIXXQRO-FGTMMUONSA-N 2 0 337.552 3.265 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001699027170 1406863705 /nfs/dbraw/zinc/86/37/05/1406863705.db2.gz IPKIJYPUGAWPGM-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC(CC)CC)CC(C)(C)C1 ZINC001689365283 1403705278 /nfs/dbraw/zinc/70/52/78/1403705278.db2.gz CFZQOPHRGIMQRO-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001689802016 1404143253 /nfs/dbraw/zinc/14/32/53/1404143253.db2.gz JNEOECKAMZKZQJ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168339 1404366750 /nfs/dbraw/zinc/36/67/50/1404366750.db2.gz COUCKZYQGDIRDI-APWZRJJASA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001690187893 1404389344 /nfs/dbraw/zinc/38/93/44/1404389344.db2.gz CARUEQBJVMNBAY-RLWBPELLSA-N 2 0 349.563 3.386 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001690189609 1404390958 /nfs/dbraw/zinc/39/09/58/1404390958.db2.gz XECVCOKCOSUISN-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690197641 1404407897 /nfs/dbraw/zinc/40/78/97/1404407897.db2.gz QTJBVLIFNVAJDF-UYAOXDASSA-N 2 0 345.531 3.260 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001690412769 1404545282 /nfs/dbraw/zinc/54/52/82/1404545282.db2.gz CDNFIJVNZNVOFH-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690413807 1404545535 /nfs/dbraw/zinc/54/55/35/1404545535.db2.gz KYYFMQKSQWPDSP-WBVHZDCISA-N 2 0 342.487 3.131 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001690708034 1404695042 /nfs/dbraw/zinc/69/50/42/1404695042.db2.gz IIVULGJHHPZIGZ-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690741701 1404704191 /nfs/dbraw/zinc/70/41/91/1404704191.db2.gz WOQDPQROVXWGNY-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001690783747 1404730809 /nfs/dbraw/zinc/73/08/09/1404730809.db2.gz FVFOKBLITZFCHN-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1ccsc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001725235757 1425821380 /nfs/dbraw/zinc/82/13/80/1425821380.db2.gz WOWQVBHXFVWEGX-QGZVFWFLSA-N 2 0 349.544 3.141 10 0 EGAERP Cc1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001725410028 1426054889 /nfs/dbraw/zinc/05/48/89/1426054889.db2.gz WDWXKOYLOQEJEI-GOSISDBHSA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001691075108 1405008276 /nfs/dbraw/zinc/00/82/76/1405008276.db2.gz OHIVYVZOPMHXSI-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691075275 1405008707 /nfs/dbraw/zinc/00/87/07/1405008707.db2.gz QWBWFFUSWZJGBU-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001691075107 1405009074 /nfs/dbraw/zinc/00/90/74/1405009074.db2.gz OHIVYVZOPMHXSI-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001732002693 1428213646 /nfs/dbraw/zinc/21/36/46/1428213646.db2.gz NLCCIJFWZPIBSD-HNNXBMFYSA-N 2 0 334.508 3.094 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@H+](CC3CCCC3)C2)CCCCC1 ZINC001691150860 1405084593 /nfs/dbraw/zinc/08/45/93/1405084593.db2.gz ADENYBRRSGQKHK-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001691178113 1405115707 /nfs/dbraw/zinc/11/57/07/1405115707.db2.gz MXWVGKCTNNPKDL-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691225615 1405165365 /nfs/dbraw/zinc/16/53/65/1405165365.db2.gz CGLHJJSNICPEPV-OTWHNJEPSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001691384418 1405221873 /nfs/dbraw/zinc/22/18/73/1405221873.db2.gz QEVVPHOEAFLXHN-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691402549 1405239781 /nfs/dbraw/zinc/23/97/81/1405239781.db2.gz NBWQABXWVJYYTG-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]C/C=C\Cl ZINC001691411839 1405250712 /nfs/dbraw/zinc/25/07/12/1405250712.db2.gz YEGDJDVDRRIRFX-GJWDQICYSA-N 2 0 343.943 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001691473644 1405291577 /nfs/dbraw/zinc/29/15/77/1405291577.db2.gz ROSUORXJGKKUBN-GBESFXJTSA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691481594 1405295685 /nfs/dbraw/zinc/29/56/85/1405295685.db2.gz POESFCFQHSFDRT-CEXWTWQISA-N 2 0 337.552 3.027 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508206 1405309996 /nfs/dbraw/zinc/30/99/96/1405309996.db2.gz HCXIVQJWDKRCFS-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691626039 1405364547 /nfs/dbraw/zinc/36/45/47/1405364547.db2.gz SMHXJPSVBLFWFI-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC001691629854 1405367712 /nfs/dbraw/zinc/36/77/12/1405367712.db2.gz XIAOEBXTGLCNHJ-VANUVFSVSA-N 2 0 337.552 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001691633200 1405370288 /nfs/dbraw/zinc/37/02/88/1405370288.db2.gz YJALUIVGPXGRIW-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001691793926 1405503971 /nfs/dbraw/zinc/50/39/71/1405503971.db2.gz IGZBQDBNCHWAMB-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001691812813 1405525485 /nfs/dbraw/zinc/52/54/85/1405525485.db2.gz DEQYSNUFJXHRAR-DVBCCOPCSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691817801 1405532141 /nfs/dbraw/zinc/53/21/41/1405532141.db2.gz HVDPJZCMEPYTRW-UFYCRDLUSA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691851595 1405566834 /nfs/dbraw/zinc/56/68/34/1405566834.db2.gz SCVQSXGLMHRICZ-FZEFPESISA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691891380 1405613831 /nfs/dbraw/zinc/61/38/31/1405613831.db2.gz RETKYLUMXYUMJF-QRVBRYPASA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898493 1405621271 /nfs/dbraw/zinc/62/12/71/1405621271.db2.gz QNKJIGNKPAWUKK-HMECNJMJSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692129421 1405787613 /nfs/dbraw/zinc/78/76/13/1405787613.db2.gz UEJWAMOEZAFPLV-NYQZOWANSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001692131980 1405789290 /nfs/dbraw/zinc/78/92/90/1405789290.db2.gz NENIKWCLTURGFD-SFHVURJKSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC(C)(C)C ZINC001692179668 1405824921 /nfs/dbraw/zinc/82/49/21/1405824921.db2.gz ZMPZJQZLLWCMOF-SJORKVTESA-N 2 0 335.536 3.020 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001732023473 1428241087 /nfs/dbraw/zinc/24/10/87/1428241087.db2.gz OHBGIIOTMIMLAU-PMACEKPBSA-N 2 0 343.515 3.251 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001732058251 1428302991 /nfs/dbraw/zinc/30/29/91/1428302991.db2.gz BJRPHLCNWZWQNV-UXHICEINSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001732060941 1428309542 /nfs/dbraw/zinc/30/95/42/1428309542.db2.gz JGRWZAVESFKLAY-DSQZMVHQSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732073108 1428322060 /nfs/dbraw/zinc/32/20/60/1428322060.db2.gz ODEFXMRIKYLHFV-LSWULPBNSA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001732133042 1428379734 /nfs/dbraw/zinc/37/97/34/1428379734.db2.gz BZLCODAWYWJYDX-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC2(C[NH2+]CC3=CCCCC3)CCCC2)CC[N@@H+]1C ZINC001732232690 1428479548 /nfs/dbraw/zinc/47/95/48/1428479548.db2.gz DALKGTWRLOXSBR-HKUYNNGSSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001732280466 1428512458 /nfs/dbraw/zinc/51/24/58/1428512458.db2.gz XANUISRRSHDJOL-GOSISDBHSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280687 1428512585 /nfs/dbraw/zinc/51/25/85/1428512585.db2.gz LOFIVMAKMNLBEA-NQIIRXRSSA-N 2 0 349.563 3.170 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001732313472 1428525474 /nfs/dbraw/zinc/52/54/74/1428525474.db2.gz UDIXGKLKGKRLEC-IHPCNDPISA-N 2 0 345.531 3.413 10 0 EGAERP O=C(NCCC1CC[NH+](CCC2CC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001732324034 1428532935 /nfs/dbraw/zinc/53/29/35/1428532935.db2.gz ZUQOUUGWJWFVGR-UXHICEINSA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C)CCCC1 ZINC001732391708 1428560704 /nfs/dbraw/zinc/56/07/04/1428560704.db2.gz DQCRQVJCXBXDTN-DUMMIQTOSA-N 2 0 335.536 3.236 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC2 ZINC001732404818 1428568358 /nfs/dbraw/zinc/56/83/58/1428568358.db2.gz BZQIUQHOBVPIJJ-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC001732435927 1428579758 /nfs/dbraw/zinc/57/97/58/1428579758.db2.gz KGLVQRYBAZRIPX-RHSMWYFYSA-N 2 0 339.911 3.179 10 0 EGAERP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)C[NH+]1CCC(C)CC1 ZINC001732449826 1428586395 /nfs/dbraw/zinc/58/63/95/1428586395.db2.gz UFYWWYMGVBQVRY-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732464655 1428595226 /nfs/dbraw/zinc/59/52/26/1428595226.db2.gz OOIHBHROQVSNJE-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732508675 1428627548 /nfs/dbraw/zinc/62/75/48/1428627548.db2.gz YAMLIMGYKDFPGR-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001732514582 1428634014 /nfs/dbraw/zinc/63/40/14/1428634014.db2.gz MNFWLZGAIPKZIQ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001732515640 1428634389 /nfs/dbraw/zinc/63/43/89/1428634389.db2.gz SSIYBFXXEBBTQB-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001732516671 1428635668 /nfs/dbraw/zinc/63/56/68/1428635668.db2.gz HUCBUDRKANIYDZ-CTNGQTDRSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001699139821 1412530711 /nfs/dbraw/zinc/53/07/11/1412530711.db2.gz BOCQXEZVPZEHSW-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141356 1412531955 /nfs/dbraw/zinc/53/19/55/1412531955.db2.gz UVAADUDZUYPNQI-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC001699227010 1412588064 /nfs/dbraw/zinc/58/80/64/1412588064.db2.gz JGGYOQYVMLQZJX-GOSISDBHSA-N 2 0 339.568 3.227 10 0 EGAERP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699452363 1412793190 /nfs/dbraw/zinc/79/31/90/1412793190.db2.gz GZOSXFLWZCHVEB-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001699461191 1412815917 /nfs/dbraw/zinc/81/59/17/1412815917.db2.gz HJZOTEGBMAPHAR-LNLFQRSKSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001699506605 1412895502 /nfs/dbraw/zinc/89/55/02/1412895502.db2.gz LDXAGUBAFSWNHE-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699545633 1412916654 /nfs/dbraw/zinc/91/66/54/1412916654.db2.gz XSFVVSGCWFIQAZ-GOSISDBHSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001699554071 1412921592 /nfs/dbraw/zinc/92/15/92/1412921592.db2.gz JYJZTGKFLYBWAO-KRWDZBQOSA-N 2 0 349.494 3.201 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001699606892 1412970563 /nfs/dbraw/zinc/97/05/63/1412970563.db2.gz OPZXDQUFXHOSOC-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001699671047 1413061131 /nfs/dbraw/zinc/06/11/31/1413061131.db2.gz BWJJSQSIXSVTST-APWZRJJASA-N 2 0 343.515 3.061 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699682817 1413077456 /nfs/dbraw/zinc/07/74/56/1413077456.db2.gz SXGPOBGHSXFNCG-AABGKKOBSA-N 2 0 349.563 3.362 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001699741977 1413152922 /nfs/dbraw/zinc/15/29/22/1413152922.db2.gz DOPMTYNQZCHAAT-APWZRJJASA-N 2 0 331.504 3.131 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001699796536 1413205506 /nfs/dbraw/zinc/20/55/06/1413205506.db2.gz VDQGMKZIRATMST-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001699866212 1413303698 /nfs/dbraw/zinc/30/36/98/1413303698.db2.gz RVEFSGVNPQNPPB-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001699879420 1413343668 /nfs/dbraw/zinc/34/36/68/1413343668.db2.gz OLYSWWUEHFZLSJ-FQEVSTJZSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001732545144 1428719797 /nfs/dbraw/zinc/71/97/97/1428719797.db2.gz SPGBQBWAZMVMKK-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C2CC[NH+](CCC3CC3)CC2)C1 ZINC001699933404 1413375571 /nfs/dbraw/zinc/37/55/71/1413375571.db2.gz LITZVEKANQOFNP-HXUWFJFHSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001699937058 1413380439 /nfs/dbraw/zinc/38/04/39/1413380439.db2.gz ZLQVSODVKFHPAD-FQEVSTJZSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C[NH2+]CC1CCC1 ZINC001732546983 1428723514 /nfs/dbraw/zinc/72/35/14/1428723514.db2.gz YWYSLCHKNSCFLZ-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCCC[NH+]3C(C)C)C[C@H]2C1 ZINC001699991635 1413439100 /nfs/dbraw/zinc/43/91/00/1413439100.db2.gz SFPNPGWMEVABRJ-HSALFYBXSA-N 2 0 349.563 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001732549657 1428728899 /nfs/dbraw/zinc/72/88/99/1428728899.db2.gz YLRGRFBDUGSMQZ-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001700014490 1413459489 /nfs/dbraw/zinc/45/94/89/1413459489.db2.gz VDLJBUZUSHDBDI-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001700095387 1413510112 /nfs/dbraw/zinc/51/01/12/1413510112.db2.gz YMNBFTLQDZNPHN-OYPPNXSOSA-N 2 0 349.906 3.190 10 0 EGAERP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187044 1413608922 /nfs/dbraw/zinc/60/89/22/1413608922.db2.gz HOIRIVZMASXSPQ-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001700190752 1413618840 /nfs/dbraw/zinc/61/88/40/1413618840.db2.gz KLPXJGOPOIOLPK-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001700195654 1413635844 /nfs/dbraw/zinc/63/58/44/1413635844.db2.gz VJLGACQYAGUDRN-RTBURBONSA-N 2 0 345.531 3.148 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700220807 1413666811 /nfs/dbraw/zinc/66/68/11/1413666811.db2.gz UUFAEWWOEZWUQS-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001700222309 1413670517 /nfs/dbraw/zinc/67/05/17/1413670517.db2.gz KPUJEJATKHFDFI-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700291354 1413743629 /nfs/dbraw/zinc/74/36/29/1413743629.db2.gz HHDGEUVQTFBTGA-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C/c2ccccc2)[C@H](C)C1 ZINC001700324070 1413793116 /nfs/dbraw/zinc/79/31/16/1413793116.db2.gz RMRLHQBZUJBXIW-FFQNAWCLSA-N 2 0 343.515 3.009 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001700345338 1413831968 /nfs/dbraw/zinc/83/19/68/1413831968.db2.gz BCRBERFRJUCPLR-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732570821 1428766052 /nfs/dbraw/zinc/76/60/52/1428766052.db2.gz QNEMMLUFAUNECI-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700398041 1413931275 /nfs/dbraw/zinc/93/12/75/1413931275.db2.gz SQFWAXWULDWSKR-MSOLQXFVSA-N 2 0 345.531 3.242 10 0 EGAERP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]CCC(C)(C)C ZINC001700401196 1413935788 /nfs/dbraw/zinc/93/57/88/1413935788.db2.gz QWYCRIYZFVNWGX-KBPBESRZSA-N 2 0 339.549 3.342 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001700428705 1413987867 /nfs/dbraw/zinc/98/78/67/1413987867.db2.gz AFILZTCHKVPVIZ-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@H+](CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1)CC(C)(C)C ZINC001700514404 1414165315 /nfs/dbraw/zinc/16/53/15/1414165315.db2.gz QTWSLNHVBVBHMA-FLIBITNWSA-N 2 0 343.943 3.126 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700528974 1414193633 /nfs/dbraw/zinc/19/36/33/1414193633.db2.gz NXXOHQGGLDHHLP-UVRCQCPESA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001700537571 1414205145 /nfs/dbraw/zinc/20/51/45/1414205145.db2.gz FCXDOXYOTUYZOF-KRWDZBQOSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001700644091 1414309645 /nfs/dbraw/zinc/30/96/45/1414309645.db2.gz QBORXNJIZSQVHM-QRFRQXIXSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001700680730 1414334674 /nfs/dbraw/zinc/33/46/74/1414334674.db2.gz RQEDGFDRXZPVOX-SFHVURJKSA-N 2 0 345.531 3.101 10 0 EGAERP C[C@H](CCC[NH2+]CCC1CCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001700685167 1414338678 /nfs/dbraw/zinc/33/86/78/1414338678.db2.gz HCFGUABUOVKONO-NQIIRXRSSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001700711578 1414367957 /nfs/dbraw/zinc/36/79/57/1414367957.db2.gz LXXGEUOTXWQMLW-IEBWSBKVSA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001700862938 1414512680 /nfs/dbraw/zinc/51/26/80/1414512680.db2.gz KQZNPBGSPUGUAI-CMKODMSKSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001700905739 1414560878 /nfs/dbraw/zinc/56/08/78/1414560878.db2.gz VGHQUOZGTYQUNS-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001700921166 1414573232 /nfs/dbraw/zinc/57/32/32/1414573232.db2.gz JCTRUBCFXVTXTM-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001700926007 1414579396 /nfs/dbraw/zinc/57/93/96/1414579396.db2.gz JCVGTJAUXWZYQK-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(CC[NH+](C)CC=C(C)C)C(C)C)C1 ZINC001700972867 1414600804 /nfs/dbraw/zinc/60/08/04/1414600804.db2.gz XDSSDJBEVIDSCI-LJQANCHMSA-N 2 0 337.552 3.243 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001700975135 1414609236 /nfs/dbraw/zinc/60/92/36/1414609236.db2.gz KJQGFBCXSABIAF-RTBURBONSA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)c1cccc(C[NH+](C)C)c1)C(C)C ZINC001700979534 1414618821 /nfs/dbraw/zinc/61/88/21/1414618821.db2.gz DFNPIDKJFRAZIB-UHFFFAOYSA-N 2 0 345.531 3.497 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001700996103 1414644543 /nfs/dbraw/zinc/64/45/43/1414644543.db2.gz NCXKHRIJIBDUEO-JBILIXEDSA-N 2 0 343.943 3.122 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001701010932 1414670301 /nfs/dbraw/zinc/67/03/01/1414670301.db2.gz KRDGOWMDEOGQSI-QWNKOJSDSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001701013442 1414675391 /nfs/dbraw/zinc/67/53/91/1414675391.db2.gz KVGZOBOBOPLUST-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC=C(C)C)C1 ZINC001732608138 1428866113 /nfs/dbraw/zinc/86/61/13/1428866113.db2.gz PPOGOSDATLFBNB-WOJBJXKFSA-N 2 0 349.563 3.388 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C(C)C)cc1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001732808014 1428986386 /nfs/dbraw/zinc/98/63/86/1428986386.db2.gz XBCLMVPVTBQECT-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001732907833 1429041729 /nfs/dbraw/zinc/04/17/29/1429041729.db2.gz DFQZMZAQBMNRHK-UCFODXPJSA-N 2 0 349.563 3.483 10 0 EGAERP Cc1c(C(=O)N[C@H](C)C[NH2+]CCC2CCCCC2)ccc2c[nH+]cn21 ZINC001732961265 1429084815 /nfs/dbraw/zinc/08/48/15/1429084815.db2.gz LMLINSBCNAIIHE-OAHLLOKOSA-N 2 0 342.487 3.321 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001732961473 1429085394 /nfs/dbraw/zinc/08/53/94/1429085394.db2.gz PRCFGWFNRHBHPH-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001733036512 1429161604 /nfs/dbraw/zinc/16/16/04/1429161604.db2.gz XNTYPDCCTWKSED-OAHLLOKOSA-N 2 0 349.544 3.360 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001707069942 1417182574 /nfs/dbraw/zinc/18/25/74/1417182574.db2.gz BOBDNGLATCBNIP-CEXWTWQISA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)c1ccccc1 ZINC001707161796 1417225881 /nfs/dbraw/zinc/22/58/81/1417225881.db2.gz RTIHASLWKKFFFV-YZGWKJHDSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001707194838 1417239903 /nfs/dbraw/zinc/23/99/03/1417239903.db2.gz IRLRDCKNSBELJA-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001707197373 1417240774 /nfs/dbraw/zinc/24/07/74/1417240774.db2.gz JXILXRLKDIRUOH-QHEKZVFSSA-N 2 0 349.563 3.432 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1Cc1ccc(C)cc1C ZINC001707203181 1417242914 /nfs/dbraw/zinc/24/29/14/1417242914.db2.gz BXJDUNAFEDONAD-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001707279105 1417286928 /nfs/dbraw/zinc/28/69/28/1417286928.db2.gz WJCWZJREDAYIEP-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)CC(C)(C)C2)C1 ZINC001707281214 1417290994 /nfs/dbraw/zinc/29/09/94/1417290994.db2.gz GWUZDBUZYANLOO-DAWZGUTISA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCCCCC1 ZINC001707458870 1417360764 /nfs/dbraw/zinc/36/07/64/1417360764.db2.gz XOLYADDIFYNHMK-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C2CCC2)c1 ZINC001733045817 1429178454 /nfs/dbraw/zinc/17/84/54/1429178454.db2.gz SEAJTBSDGBHURB-ROUUACIJSA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001712947300 1417506424 /nfs/dbraw/zinc/50/64/24/1417506424.db2.gz UMLWQTZBEKPSLX-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)Cc1ccsc1 ZINC001712952245 1417509858 /nfs/dbraw/zinc/50/98/58/1417509858.db2.gz JNZIIFYOMPRDFH-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@@H](C(=O)NCCC[N@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001712975845 1417529327 /nfs/dbraw/zinc/52/93/27/1417529327.db2.gz OMMXEOOWHMRKQC-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1F ZINC001712990565 1417542459 /nfs/dbraw/zinc/54/24/59/1417542459.db2.gz DICYKGACIYVUAP-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001713053193 1417605000 /nfs/dbraw/zinc/60/50/00/1417605000.db2.gz QDHNSTCBCJLVCU-UVEXCMSLSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001713175691 1417748788 /nfs/dbraw/zinc/74/87/88/1417748788.db2.gz LROHMTFUFFULSK-VAMGGRTRSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713231306 1417817607 /nfs/dbraw/zinc/81/76/07/1417817607.db2.gz ODIHWZLXHULVMN-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001713242300 1417828106 /nfs/dbraw/zinc/82/81/06/1417828106.db2.gz OVHPXKUUEHSFSW-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001713272416 1417887124 /nfs/dbraw/zinc/88/71/24/1417887124.db2.gz VMKQFBVTSRGSIY-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713311323 1417935642 /nfs/dbraw/zinc/93/56/42/1417935642.db2.gz NETHLUTXMBIVCD-KKSLTYSGSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382159 1417992586 /nfs/dbraw/zinc/99/25/86/1417992586.db2.gz OLRDUEHKXZOSBI-DLBZAZTESA-N 2 0 325.541 3.170 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001713400728 1418022252 /nfs/dbraw/zinc/02/22/52/1418022252.db2.gz KAIXQVCPQSZRJI-VQIMIIECSA-N 2 0 349.494 3.150 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001713436622 1418067552 /nfs/dbraw/zinc/06/75/52/1418067552.db2.gz OMMKWYAZGWCMDL-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733131292 1429255714 /nfs/dbraw/zinc/25/57/14/1429255714.db2.gz QBJXXDCMWISWSR-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713677651 1418429703 /nfs/dbraw/zinc/42/97/03/1418429703.db2.gz QACSDJAFQYUSQS-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CCCC1)C(C)C ZINC001713695376 1418449280 /nfs/dbraw/zinc/44/92/80/1418449280.db2.gz SPZIUPGGNXJMEG-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697609 1418452758 /nfs/dbraw/zinc/45/27/58/1418452758.db2.gz ICPIDUUTQPDOEM-FXAWDEMLSA-N 2 0 345.531 3.307 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713716268 1418482269 /nfs/dbraw/zinc/48/22/69/1418482269.db2.gz LVJSKOLHFFIUOB-JXVOXZTDSA-N 2 0 349.563 3.386 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713792090 1418610296 /nfs/dbraw/zinc/61/02/96/1418610296.db2.gz IRDDZJMVLOXZBS-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713825925 1418625804 /nfs/dbraw/zinc/62/58/04/1418625804.db2.gz JTHCYMPBKHHOTE-KEGWNNHHSA-N 2 0 340.471 3.193 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001713866541 1418663802 /nfs/dbraw/zinc/66/38/02/1418663802.db2.gz PIPDIQRUYKDYFB-SLFFLAALSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001713935161 1418724798 /nfs/dbraw/zinc/72/47/98/1418724798.db2.gz IJVNCVGDFUVTDD-OALUTQOASA-N 2 0 345.531 3.287 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001713988905 1418766851 /nfs/dbraw/zinc/76/68/51/1418766851.db2.gz KKQRGDAGNDEDLX-KURKYZTESA-N 2 0 343.515 3.086 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001714021702 1418804254 /nfs/dbraw/zinc/80/42/54/1418804254.db2.gz OLSWMLSKJMRTBQ-SJORKVTESA-N 2 0 349.494 3.151 10 0 EGAERP CCN(C(=O)CC[NH+](C)CC)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714048777 1418846520 /nfs/dbraw/zinc/84/65/20/1418846520.db2.gz DUYHERNIBUQHKH-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](CC2CC3(CCC3)C2)C1 ZINC001714049515 1418848256 /nfs/dbraw/zinc/84/82/56/1418848256.db2.gz JFMVSJJQNABJID-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCC(C)C ZINC001714071721 1418866725 /nfs/dbraw/zinc/86/67/25/1418866725.db2.gz CDNJZYCXPRXWPF-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081034 1418874749 /nfs/dbraw/zinc/87/47/49/1418874749.db2.gz QVSFDQDGFFTKNZ-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001714144986 1418948179 /nfs/dbraw/zinc/94/81/79/1418948179.db2.gz OGPPFXLKNPEPIW-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714154205 1418962476 /nfs/dbraw/zinc/96/24/76/1418962476.db2.gz RADWBMVFKOGBFZ-ROUUACIJSA-N 2 0 339.568 3.227 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714166138 1418975376 /nfs/dbraw/zinc/97/53/76/1418975376.db2.gz FDCUGBVFJCFYHK-GAAPFBLASA-N 2 0 347.547 3.044 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001714194762 1419000408 /nfs/dbraw/zinc/00/04/08/1419000408.db2.gz OCKTZZRDQRFJMF-KKXNLOMOSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714239670 1419028783 /nfs/dbraw/zinc/02/87/83/1419028783.db2.gz VMIVFHVNNQCDQM-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001714268366 1419050085 /nfs/dbraw/zinc/05/00/85/1419050085.db2.gz POTPJHVATBYLFM-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CC2CCCCCC2)CC1 ZINC001714331622 1419111493 /nfs/dbraw/zinc/11/14/93/1419111493.db2.gz ABHANFKSAFNQIN-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714401034 1419144087 /nfs/dbraw/zinc/14/40/87/1419144087.db2.gz HYBWJJAPFSTFTO-QZTJIDSGSA-N 2 0 337.552 3.458 10 0 EGAERP CCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714401035 1419144212 /nfs/dbraw/zinc/14/42/12/1419144212.db2.gz HYBWJJAPFSTFTO-ROUUACIJSA-N 2 0 337.552 3.458 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C[NH2+]CCCC(C)(C)C ZINC001714433252 1419165870 /nfs/dbraw/zinc/16/58/70/1419165870.db2.gz BDKWSKCVOPXOHD-ROUUACIJSA-N 2 0 339.568 3.419 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001714433251 1419166117 /nfs/dbraw/zinc/16/61/17/1419166117.db2.gz BDKWSKCVOPXOHD-QZTJIDSGSA-N 2 0 339.568 3.419 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714455141 1419187815 /nfs/dbraw/zinc/18/78/15/1419187815.db2.gz UWGALUFTCZZSHP-FQEVSTJZSA-N 2 0 345.531 3.475 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714622763 1419390764 /nfs/dbraw/zinc/39/07/64/1419390764.db2.gz MYPGBEQKMBNBES-RTBURBONSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001714629499 1419400969 /nfs/dbraw/zinc/40/09/69/1419400969.db2.gz CFPRZCZFQHISSU-CQSZACIVSA-N 2 0 337.533 3.050 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714713410 1419481249 /nfs/dbraw/zinc/48/12/49/1419481249.db2.gz DUQALAFUEOOSBL-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001714814079 1419525094 /nfs/dbraw/zinc/52/50/94/1419525094.db2.gz UBGICGYEPNEBNU-PKOBYXMFSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001714819202 1419529624 /nfs/dbraw/zinc/52/96/24/1419529624.db2.gz XSEQTTXNFJCLOK-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@@H](C)[NH2+]CC=C(C)C)CC2)C1 ZINC001714821006 1419531227 /nfs/dbraw/zinc/53/12/27/1419531227.db2.gz REMALYYLBBCLQI-UYAOXDASSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CC=C(C)C)CC2)C1 ZINC001714820999 1419531369 /nfs/dbraw/zinc/53/13/69/1419531369.db2.gz REMALYYLBBCLQI-AZUAARDMSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CC2(CCC2)C1 ZINC001714828912 1419538927 /nfs/dbraw/zinc/53/89/27/1419538927.db2.gz QEQLUOCPGBKCHF-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714860963 1419582349 /nfs/dbraw/zinc/58/23/49/1419582349.db2.gz ASXMJBFUMPGFPW-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001714926581 1419680450 /nfs/dbraw/zinc/68/04/50/1419680450.db2.gz KPPAMUXROWREJR-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001715007768 1419736881 /nfs/dbraw/zinc/73/68/81/1419736881.db2.gz CWVVTWKQJDLDLV-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001715013427 1419741735 /nfs/dbraw/zinc/74/17/35/1419741735.db2.gz CABQYMZDCRWJHA-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001715062085 1419800454 /nfs/dbraw/zinc/80/04/54/1419800454.db2.gz GFZZIGJNRCMPKL-MSOLQXFVSA-N 2 0 345.531 3.333 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CCCC1CCCC1)C1CC1 ZINC001715111863 1419855229 /nfs/dbraw/zinc/85/52/29/1419855229.db2.gz JMSMFLHBZQAXAZ-FPOVZHCZSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001715135801 1419884899 /nfs/dbraw/zinc/88/48/99/1419884899.db2.gz XDJATBLQZRWQNT-YLJYHZDGSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001715154038 1419897971 /nfs/dbraw/zinc/89/79/71/1419897971.db2.gz MRFNKPWRIIHETM-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001715191424 1419923662 /nfs/dbraw/zinc/92/36/62/1419923662.db2.gz OGJALTHEPCFBNC-SNRMKQJTSA-N 2 0 349.494 3.244 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715210415 1419943607 /nfs/dbraw/zinc/94/36/07/1419943607.db2.gz ODKCUFIHZXIXQA-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001715326320 1420033256 /nfs/dbraw/zinc/03/32/56/1420033256.db2.gz INUXJKYNKSHNFB-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001715365044 1420062258 /nfs/dbraw/zinc/06/22/58/1420062258.db2.gz REFNZOPWAQTBCN-VQIMIIECSA-N 2 0 343.531 3.072 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001715391101 1420087900 /nfs/dbraw/zinc/08/79/00/1420087900.db2.gz UGAUSUYRJRZKOS-PMACEKPBSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715402781 1420101498 /nfs/dbraw/zinc/10/14/98/1420101498.db2.gz XFJGCXVSHPRHTA-JJRFVKOUSA-N 2 0 349.563 3.338 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715437507 1420123433 /nfs/dbraw/zinc/12/34/33/1420123433.db2.gz YPOPSLBZFZMJQJ-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001715464165 1420143241 /nfs/dbraw/zinc/14/32/41/1420143241.db2.gz VIYKSGRVVXKEPL-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715478660 1420157103 /nfs/dbraw/zinc/15/71/03/1420157103.db2.gz UEJOGVCFKWXUOE-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715483743 1420162777 /nfs/dbraw/zinc/16/27/77/1420162777.db2.gz ZOCPLOWOWWODTK-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC001715496244 1420177507 /nfs/dbraw/zinc/17/75/07/1420177507.db2.gz QTGFUDAJNXVVLW-GOSISDBHSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)c1ccc(Cl)cc1 ZINC001733251819 1429400349 /nfs/dbraw/zinc/40/03/49/1429400349.db2.gz YJYUQOARJJSABH-AWEZNQCLSA-N 2 0 349.906 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCC2CCCC2)C(C)C)CC[N@@H+]1C ZINC001715555765 1420249985 /nfs/dbraw/zinc/24/99/85/1420249985.db2.gz GKMGUUWJBAGCSR-GBESFXJTSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001715707752 1420303917 /nfs/dbraw/zinc/30/39/17/1420303917.db2.gz KDYYDRABRDIMOO-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715931615 1420403795 /nfs/dbraw/zinc/40/37/95/1420403795.db2.gz HHJAZMKYLJZGLP-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21)[NH+](CC)CC ZINC001715960591 1420427553 /nfs/dbraw/zinc/42/75/53/1420427553.db2.gz WIHOZXIBGSXKLM-VQTJNVASSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001715978095 1420438117 /nfs/dbraw/zinc/43/81/17/1420438117.db2.gz VIIJYZDLXCXVOB-FJUFFASXSA-N 2 0 343.515 3.057 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001715981388 1420440044 /nfs/dbraw/zinc/44/00/44/1420440044.db2.gz VVWBRHCLQSCLDC-RRQGHBQHSA-N 2 0 339.911 3.226 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001716024374 1420480933 /nfs/dbraw/zinc/48/09/33/1420480933.db2.gz MJKQJDXIDRNAIG-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042616 1420505267 /nfs/dbraw/zinc/50/52/67/1420505267.db2.gz RANVQFDAXLHDLM-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001716050350 1420514342 /nfs/dbraw/zinc/51/43/42/1420514342.db2.gz HUSIUYDCFVLIPI-PMACEKPBSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001716164375 1420547430 /nfs/dbraw/zinc/54/74/30/1420547430.db2.gz RTTTWMQMBVINCX-JKSUJKDBSA-N 2 0 349.494 3.246 10 0 EGAERP CCN(CC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716221273 1420570943 /nfs/dbraw/zinc/57/09/43/1420570943.db2.gz RDWGJDLDHAYMPP-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716302620 1420598418 /nfs/dbraw/zinc/59/84/18/1420598418.db2.gz IDTZFFNNFZURBE-KKHYBRAUSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001716377948 1420623936 /nfs/dbraw/zinc/62/39/36/1420623936.db2.gz DBGDEZDEMOFUCL-DUIUGDAFSA-N 2 0 349.563 3.339 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001716465591 1420678102 /nfs/dbraw/zinc/67/81/02/1420678102.db2.gz DAQAKQCVBJYOBI-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C/c1ccccc1 ZINC001716477314 1420692874 /nfs/dbraw/zinc/69/28/74/1420692874.db2.gz FKFYTTJFEKDYDM-YBGNTVOFSA-N 2 0 343.515 3.009 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001716482527 1420700177 /nfs/dbraw/zinc/70/01/77/1420700177.db2.gz LWPXRSLRXXYRSV-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C[N@H+](C)[C@H]1CCCc2ccccc21)NC(=O)CCCC[NH+](C)C ZINC001716500564 1420726957 /nfs/dbraw/zinc/72/69/57/1420726957.db2.gz FMYKEGVADQMQCG-XLIONFOSSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716507705 1420739544 /nfs/dbraw/zinc/73/95/44/1420739544.db2.gz GGBZQJADEYTQTD-INIZCTEOSA-N 2 0 333.520 3.235 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001716508998 1420741444 /nfs/dbraw/zinc/74/14/44/1420741444.db2.gz USGZAFBFILCPCN-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CN(CCC[NH2+]C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716541691 1420755285 /nfs/dbraw/zinc/75/52/85/1420755285.db2.gz FBFAUNIABMBPRK-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001716707827 1420861899 /nfs/dbraw/zinc/86/18/99/1420861899.db2.gz FQSDTSZJIYLDMQ-MVCQKVDPSA-N 2 0 347.547 3.163 10 0 EGAERP CCCC[N@H+](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCCC1 ZINC001716713789 1420867646 /nfs/dbraw/zinc/86/76/46/1420867646.db2.gz XMSBIZZMAYWYFV-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001716721648 1420878908 /nfs/dbraw/zinc/87/89/08/1420878908.db2.gz SHEDCAPXJBPOOC-BGYRXZFFSA-N 2 0 347.547 3.118 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001716731548 1420890740 /nfs/dbraw/zinc/89/07/40/1420890740.db2.gz OCXRYWNYMPSCAW-MHEFIBMXSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001716734264 1420892326 /nfs/dbraw/zinc/89/23/26/1420892326.db2.gz QRKCSJHBKWXHQO-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001716844470 1420971789 /nfs/dbraw/zinc/97/17/89/1420971789.db2.gz UFQBGRDJYGXOPR-YLJYHZDGSA-N 2 0 337.552 3.268 10 0 EGAERP CC1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+](CCC2CC2)CC1 ZINC001716885232 1421008591 /nfs/dbraw/zinc/00/85/91/1421008591.db2.gz IZVIISRMQDYMIZ-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001716898305 1421026658 /nfs/dbraw/zinc/02/66/58/1421026658.db2.gz SOMWURPBTBEYTQ-FQEVSTJZSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716972341 1421057739 /nfs/dbraw/zinc/05/77/39/1421057739.db2.gz ZOCPUSDDIGAKDR-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716974192 1421058506 /nfs/dbraw/zinc/05/85/06/1421058506.db2.gz XDCILKVHHJSHGA-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717083945 1421103216 /nfs/dbraw/zinc/10/32/16/1421103216.db2.gz DZQGGPOPVYWUJB-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111120 1421114825 /nfs/dbraw/zinc/11/48/25/1421114825.db2.gz MADZHKXTVQOOOG-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001717111181 1421114944 /nfs/dbraw/zinc/11/49/44/1421114944.db2.gz NHFQFOYGZMZOSP-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001717127825 1421129258 /nfs/dbraw/zinc/12/92/58/1421129258.db2.gz DNVAZRHXZFUWRS-VZSQWMKGSA-N 2 0 347.547 3.142 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001717215298 1421192557 /nfs/dbraw/zinc/19/25/57/1421192557.db2.gz FHBAUEMVAKNXBQ-UHFFFAOYSA-N 2 0 345.531 3.332 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001717217564 1421195770 /nfs/dbraw/zinc/19/57/70/1421195770.db2.gz SNCNHEUMBQIGDZ-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717237207 1421204978 /nfs/dbraw/zinc/20/49/78/1421204978.db2.gz AQGAOIYVFRFNPJ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717301987 1421244052 /nfs/dbraw/zinc/24/40/52/1421244052.db2.gz MNKYVXJQPWLYGZ-SREVYHEPSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001717302657 1421244460 /nfs/dbraw/zinc/24/44/60/1421244460.db2.gz MGAISAXLJFLVDM-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001717303358 1421245380 /nfs/dbraw/zinc/24/53/80/1421245380.db2.gz MFYFRBXUICOGSP-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+](CC)CC ZINC001717311012 1421254509 /nfs/dbraw/zinc/25/45/09/1421254509.db2.gz RPKCNJAWUNUXNX-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001717339130 1421277532 /nfs/dbraw/zinc/27/75/32/1421277532.db2.gz MMZWAPQRYKCRAS-HKVCONOFSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[N@H+](C)CCC2CCCCC2)CCC1 ZINC001717367909 1421304078 /nfs/dbraw/zinc/30/40/78/1421304078.db2.gz TYLWTOFIMHLKRX-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001717375912 1421317171 /nfs/dbraw/zinc/31/71/71/1421317171.db2.gz GHSONBIVCNXFCT-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001717409577 1421342074 /nfs/dbraw/zinc/34/20/74/1421342074.db2.gz FJWBTYUZDGMNNM-IRXDYDNUSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001717412322 1421344190 /nfs/dbraw/zinc/34/41/90/1421344190.db2.gz DYGKQBZIDOKRLW-JKSUJKDBSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001717428577 1421357754 /nfs/dbraw/zinc/35/77/54/1421357754.db2.gz ILEJZNOLSGROFU-HZPDHXFCSA-N 2 0 333.520 3.281 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717433018 1421361088 /nfs/dbraw/zinc/36/10/88/1421361088.db2.gz OFLBUIJJRHRKGP-JKSUJKDBSA-N 2 0 337.552 3.026 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001717433368 1421361552 /nfs/dbraw/zinc/36/15/52/1421361552.db2.gz SLJKNEAHZJOPAS-QZTJIDSGSA-N 2 0 349.563 3.480 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001717441648 1421370986 /nfs/dbraw/zinc/37/09/86/1421370986.db2.gz KJFYKLCSUDSOLQ-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CCCCCC1 ZINC001717472086 1421405139 /nfs/dbraw/zinc/40/51/39/1421405139.db2.gz IFMUQODWKVIXSE-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733296084 1429478916 /nfs/dbraw/zinc/47/89/16/1429478916.db2.gz PDOAEOQMSFAZDU-SFMFPFJOSA-N 2 0 347.547 3.142 10 0 EGAERP CCCC[C@@H](C[NH2+][C@@H](C)c1ccccc1)NC(=O)C12CC[NH+](CC1)C2 ZINC001717532225 1421468489 /nfs/dbraw/zinc/46/84/89/1421468489.db2.gz BLNKJRBCPIPBDF-HKUYNNGSSA-N 2 0 343.515 3.108 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC001717540272 1421480524 /nfs/dbraw/zinc/48/05/24/1421480524.db2.gz MMUQMHHOIDXQNR-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001717540773 1421481121 /nfs/dbraw/zinc/48/11/21/1421481121.db2.gz SDFIRRGIPKQHOL-ROUUACIJSA-N 2 0 334.508 3.241 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001717585858 1421513525 /nfs/dbraw/zinc/51/35/25/1421513525.db2.gz ZCZKAYVYGIMZRB-IBSYWUHOSA-N 2 0 337.552 3.147 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001717625804 1421534595 /nfs/dbraw/zinc/53/45/95/1421534595.db2.gz VEXWPZNESISSLX-OTWHNJEPSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccsc1 ZINC001717757820 1421620929 /nfs/dbraw/zinc/62/09/29/1421620929.db2.gz RCMQRAPGJCYRMK-OAHLLOKOSA-N 2 0 345.512 3.060 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001717964887 1421736512 /nfs/dbraw/zinc/73/65/12/1421736512.db2.gz GHLHOLQUWIATMR-ZWKOTPCHSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CCC(C2(NC(=O)CC[NH+](C)C)CC2)CC1 ZINC001718003998 1421770687 /nfs/dbraw/zinc/77/06/87/1421770687.db2.gz YZIBPVDEVALIMA-KRWDZBQOSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001733327924 1429513558 /nfs/dbraw/zinc/51/35/58/1429513558.db2.gz OCWODZAYTKXUQC-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733432991 1429640173 /nfs/dbraw/zinc/64/01/73/1429640173.db2.gz MPECBCMMVQVOPQ-HXUWFJFHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001733448751 1429659663 /nfs/dbraw/zinc/65/96/63/1429659663.db2.gz RPCVGDDDBSMVHN-UEKDZROGSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001733453146 1429666584 /nfs/dbraw/zinc/66/65/84/1429666584.db2.gz UXJRVOVEXGYQLZ-KEGWNNHHSA-N 2 0 346.519 3.163 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001733457677 1429677800 /nfs/dbraw/zinc/67/78/00/1429677800.db2.gz ACRHOIGUNNJAAX-ICSRJNTNSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)C1 ZINC001733463608 1429692774 /nfs/dbraw/zinc/69/27/74/1429692774.db2.gz BVFJHTCLYBWKDR-FXAWDEMLSA-N 2 0 348.535 3.243 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001733469657 1429704022 /nfs/dbraw/zinc/70/40/22/1429704022.db2.gz YDYRAWQPFNLKPZ-OLEQZPESSA-N 2 0 349.563 3.437 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001722951185 1424273467 /nfs/dbraw/zinc/27/34/67/1424273467.db2.gz BLOWABWJWJMSPN-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP CN(CCC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001723052781 1424293348 /nfs/dbraw/zinc/29/33/48/1424293348.db2.gz SDIQQOAIGMANOA-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001723606963 1424486191 /nfs/dbraw/zinc/48/61/91/1424486191.db2.gz JABAYYPEQVDDND-XOUUWWQPSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001723606962 1424486673 /nfs/dbraw/zinc/48/66/73/1424486673.db2.gz JABAYYPEQVDDND-SLVIYJBESA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001723646775 1424509923 /nfs/dbraw/zinc/50/99/23/1424509923.db2.gz APMAZZFGWSPVEC-YLJYHZDGSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001723690323 1424531037 /nfs/dbraw/zinc/53/10/37/1424531037.db2.gz HTIBGSNFSYKCMC-FPOVZHCZSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2CCN(C(=O)CC[NH+](C)C)[C@H](C)C2)cc1 ZINC001723862360 1424590855 /nfs/dbraw/zinc/59/08/55/1424590855.db2.gz SLGLAGWMYOWXCS-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733535508 1429741997 /nfs/dbraw/zinc/74/19/97/1429741997.db2.gz BPLXAWJUXILOQR-QUCCMNQESA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733541112 1429747336 /nfs/dbraw/zinc/74/73/36/1429747336.db2.gz WZYXWXKHMAQLOR-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724239878 1424750045 /nfs/dbraw/zinc/75/00/45/1424750045.db2.gz OCDOMTZPEXHQIF-ZJFNZYCMSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001724335451 1424831379 /nfs/dbraw/zinc/83/13/79/1424831379.db2.gz ZVMIIUPJRQGVMJ-RXVVDRJESA-N 2 0 345.531 3.226 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724540981 1424902418 /nfs/dbraw/zinc/90/24/18/1424902418.db2.gz SVQVGKHCDQVIKP-IBQUMJASSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C(C)=C/C(=O)NCCN1CCC([NH2+]Cc2ccccc2C)CC1 ZINC001724628375 1424983872 /nfs/dbraw/zinc/98/38/72/1424983872.db2.gz DHNKJHYPPNEERJ-BMRADRMJSA-N 2 0 343.515 3.022 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]CCCC3CCC3)C2)CC1 ZINC001724725137 1425077052 /nfs/dbraw/zinc/07/70/52/1425077052.db2.gz GSDDLHFVAGAYGY-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001724747335 1425116805 /nfs/dbraw/zinc/11/68/05/1425116805.db2.gz PAGSFTJFQBGWBI-KRWDZBQOSA-N 2 0 343.515 3.239 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCC1 ZINC001724786980 1425153677 /nfs/dbraw/zinc/15/36/77/1425153677.db2.gz XXDHRUKZBFPZAV-UHFFFAOYSA-N 2 0 337.533 3.098 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CCC2)CC[N@@H+]1C ZINC001724795666 1425163390 /nfs/dbraw/zinc/16/33/90/1425163390.db2.gz IVQXQUKEKPIACJ-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001724900053 1425294807 /nfs/dbraw/zinc/29/48/07/1425294807.db2.gz SKFBLJVBLITSNZ-TZIWHRDSSA-N 2 0 349.563 3.366 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001724901790 1425296569 /nfs/dbraw/zinc/29/65/69/1425296569.db2.gz ZFJCSMZZNAJTHU-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001724900976 1425296646 /nfs/dbraw/zinc/29/66/46/1425296646.db2.gz WKTFQKAFPHBJCB-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001724901667 1425296663 /nfs/dbraw/zinc/29/66/63/1425296663.db2.gz UKDMCLLJMWCGOF-TZIWHRDSSA-N 2 0 349.563 3.079 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001725292166 1425936357 /nfs/dbraw/zinc/93/63/57/1425936357.db2.gz WJJCOVDDOMDPDQ-KRWDZBQOSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001725420490 1426068732 /nfs/dbraw/zinc/06/87/32/1426068732.db2.gz VVDFTDHDFWOLOJ-APWZRJJASA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725451933 1426117783 /nfs/dbraw/zinc/11/77/83/1426117783.db2.gz JUUODAOYHAUZLE-ICSRJNTNSA-N 2 0 349.563 3.124 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]23)C1 ZINC001725612244 1426271567 /nfs/dbraw/zinc/27/15/67/1426271567.db2.gz TYRUHDUXDKGBBT-JWYNLTDQSA-N 2 0 349.563 3.124 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001725616628 1426279373 /nfs/dbraw/zinc/27/93/73/1426279373.db2.gz BZELYBLKARTVKP-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC1(C)CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1[NH2+]CC1CCCC1 ZINC001725678787 1426365766 /nfs/dbraw/zinc/36/57/66/1426365766.db2.gz HXRCNMSPDJASCK-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684636 1426372185 /nfs/dbraw/zinc/37/21/85/1426372185.db2.gz RPMRZQVXFFFUTK-MAUKXSAKSA-N 2 0 349.494 3.054 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001725753070 1426431732 /nfs/dbraw/zinc/43/17/32/1426431732.db2.gz BZNKPUGEAJWPJJ-FUHWJXTLSA-N 2 0 339.568 3.273 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001725786742 1426472958 /nfs/dbraw/zinc/47/29/58/1426472958.db2.gz NXDYLSROOSCAFI-DAWZGUTISA-N 2 0 337.552 3.122 10 0 EGAERP O=C(NCCC[N@H+](CC1CC1)C1CC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001731333610 1427271690 /nfs/dbraw/zinc/27/16/90/1427271690.db2.gz MGGSZYHIKWQELL-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001731344522 1427282271 /nfs/dbraw/zinc/28/22/71/1427282271.db2.gz NCKHBDCQFJSZMF-SFHVURJKSA-N 2 0 343.515 3.123 10 0 EGAERP CN(C(=O)[C@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731347398 1427284903 /nfs/dbraw/zinc/28/49/03/1427284903.db2.gz GWOCIZHCYIPPPA-IBGZPJMESA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001731426769 1427407873 /nfs/dbraw/zinc/40/78/73/1427407873.db2.gz IKLFUSFPYBVHAU-ZRNYENFQSA-N 2 0 347.547 3.115 10 0 EGAERP CC/C=C\CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001731429098 1427410235 /nfs/dbraw/zinc/41/02/35/1427410235.db2.gz QPGQERNAGUBBGQ-QFTWQFLFSA-N 2 0 347.547 3.140 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001731517842 1427505697 /nfs/dbraw/zinc/50/56/97/1427505697.db2.gz FEMBKHQNGVNBHY-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001731521313 1427509704 /nfs/dbraw/zinc/50/97/04/1427509704.db2.gz HAFUXMHNYORBQY-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731536460 1427534878 /nfs/dbraw/zinc/53/48/78/1427534878.db2.gz AHHQJPPVOOLSHL-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001731601665 1427645415 /nfs/dbraw/zinc/64/54/15/1427645415.db2.gz OZCYDXLIOHWAPO-QFBILLFUSA-N 2 0 345.531 3.063 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001731615601 1427662942 /nfs/dbraw/zinc/66/29/42/1427662942.db2.gz JICDJMVBFHSFPQ-RBUKOAKNSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731637664 1427694050 /nfs/dbraw/zinc/69/40/50/1427694050.db2.gz RSSQRZZRXYJYGT-WWDZGPRUSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731663296 1427715131 /nfs/dbraw/zinc/71/51/31/1427715131.db2.gz PRGSHFKDIKGEIS-IPLHWJFFSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731670094 1427719614 /nfs/dbraw/zinc/71/96/14/1427719614.db2.gz BZMMCJAORVRCLM-DKFQHHCZSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001731679107 1427727061 /nfs/dbraw/zinc/72/70/61/1427727061.db2.gz HDRJOIKFENNXSD-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001731696266 1427746065 /nfs/dbraw/zinc/74/60/65/1427746065.db2.gz AESXHZNGCYPTBS-RTBURBONSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731753791 1427850497 /nfs/dbraw/zinc/85/04/97/1427850497.db2.gz SUZLLAJMBXZEMY-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cc(C)c(C[N@@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)c(C)c1 ZINC001731796280 1427949539 /nfs/dbraw/zinc/94/95/39/1427949539.db2.gz YXEPRSPXSVPDPO-RTBURBONSA-N 2 0 345.531 3.033 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731847914 1428074048 /nfs/dbraw/zinc/07/40/48/1428074048.db2.gz UZOYEGKITIAJAS-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC1=CCCCC1 ZINC001731863970 1428108453 /nfs/dbraw/zinc/10/84/53/1428108453.db2.gz BVHXYWSZQORJMP-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001731879142 1428147323 /nfs/dbraw/zinc/14/73/23/1428147323.db2.gz KVCGRRALILBHJA-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+](CCNC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001731884597 1428158592 /nfs/dbraw/zinc/15/85/92/1428158592.db2.gz YPFJJRRODHTKRS-SFHVURJKSA-N 2 0 345.531 3.285 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733652320 1429845792 /nfs/dbraw/zinc/84/57/92/1429845792.db2.gz KHUFJVXAZRKMQS-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CCCCCC1)CC2 ZINC001733694744 1429912371 /nfs/dbraw/zinc/91/23/71/1429912371.db2.gz GQKVBFISBKGKCT-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001733695930 1429913599 /nfs/dbraw/zinc/91/35/99/1429913599.db2.gz RKENEUSFSITEBF-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001733803456 1430071053 /nfs/dbraw/zinc/07/10/53/1430071053.db2.gz XYYKRLLIOPGVPW-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001733898891 1437716484 /nfs/dbraw/zinc/71/64/84/1437716484.db2.gz GAAFKZGFOHFAEG-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733937127 1437751873 /nfs/dbraw/zinc/75/18/73/1437751873.db2.gz NOYOXFVXYGUVKW-HXUWFJFHSA-N 2 0 343.515 3.251 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC001733996262 1437789944 /nfs/dbraw/zinc/78/99/44/1437789944.db2.gz DKDNHEIFDQBFNX-RBUKOAKNSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001734013831 1437804942 /nfs/dbraw/zinc/80/49/42/1437804942.db2.gz UVMFJJZMFGWXHI-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734044313 1437832664 /nfs/dbraw/zinc/83/26/64/1437832664.db2.gz GWFTXISRKQXPLW-ZWKOTPCHSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001734049944 1437839915 /nfs/dbraw/zinc/83/99/15/1437839915.db2.gz YHWCXCGLAYMWRO-IRXDYDNUSA-N 2 0 333.520 3.259 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1cccc(F)c1 ZINC001734105429 1437891964 /nfs/dbraw/zinc/89/19/64/1437891964.db2.gz FTSVNUIBJNGXKT-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccc(F)cc1 ZINC001734107300 1437893837 /nfs/dbraw/zinc/89/38/37/1437893837.db2.gz VEFZFPUNPLMNOM-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001734123740 1437903442 /nfs/dbraw/zinc/90/34/42/1437903442.db2.gz IDQAORYFQDCEHC-SJORKVTESA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001734155154 1437921830 /nfs/dbraw/zinc/92/18/30/1437921830.db2.gz PNIIRNVUHQNJPP-HKUYNNGSSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734211184 1437944555 /nfs/dbraw/zinc/94/45/55/1437944555.db2.gz IZLXBMRAHHRPIA-KZNAEPCWSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC001734253268 1437968724 /nfs/dbraw/zinc/96/87/24/1437968724.db2.gz URMKYPZWNWYNPK-PKOBYXMFSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001734257483 1437973513 /nfs/dbraw/zinc/97/35/13/1437973513.db2.gz SJTHKXWCVCVFMS-KRWDZBQOSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001734284971 1438012892 /nfs/dbraw/zinc/01/28/92/1438012892.db2.gz NIEUIOSKDPNAJO-RTBURBONSA-N 2 0 331.504 3.108 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001734331297 1438054879 /nfs/dbraw/zinc/05/48/79/1438054879.db2.gz BOXSYVJUFXEXMJ-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001734432143 1438095196 /nfs/dbraw/zinc/09/51/96/1438095196.db2.gz ZYEJKBBSDDWAFE-IEBWSBKVSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001734462781 1438119768 /nfs/dbraw/zinc/11/97/68/1438119768.db2.gz UZMFYXTZXFAMOV-WMZOPIPTSA-N 2 0 337.552 3.265 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734553384 1438151705 /nfs/dbraw/zinc/15/17/05/1438151705.db2.gz BYLGAIFCEJEMGX-RTBURBONSA-N 2 0 339.568 3.466 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)C1CCC1 ZINC001734561073 1438158655 /nfs/dbraw/zinc/15/86/55/1438158655.db2.gz KOPBGCZBIXFCDN-QGZVFWFLSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001734569196 1438163671 /nfs/dbraw/zinc/16/36/71/1438163671.db2.gz NDXODBHHWHGURV-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001734570545 1438164785 /nfs/dbraw/zinc/16/47/85/1438164785.db2.gz NZBNZLOMALPHLR-DVBCCOPCSA-N 2 0 337.552 3.195 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001734637139 1438196638 /nfs/dbraw/zinc/19/66/38/1438196638.db2.gz NSDIVPUNETXGBM-MOPGFXCFSA-N 2 0 349.563 3.291 10 0 EGAERP CN(Cc1ccc(F)cc1Br)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000040747125 213381623 /nfs/dbraw/zinc/38/16/23/213381623.db2.gz YAYUEUUINNJUAW-PBWFPOADSA-N 2 0 327.241 3.303 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1C(=O)NCCCC[NH+]1CCCC[C@@H]1C ZINC000225808129 242045970 /nfs/dbraw/zinc/04/59/70/242045970.db2.gz XEDNBZSHQADMMQ-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)n1cc(CNC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)nn1 ZINC000377544701 169039633 /nfs/dbraw/zinc/03/96/33/169039633.db2.gz VUIQQXJOPGRWPF-CTXDPNEZSA-N 2 0 339.487 3.144 10 0 EGAERP Cc1nc(NCCC2CC[NH+](Cc3ccccc3)CC2)cc(N)[nH+]1 ZINC000091625859 218034394 /nfs/dbraw/zinc/03/43/94/218034394.db2.gz QLHQQQFYDGPXSJ-UHFFFAOYSA-N 2 0 325.460 3.081 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000091739786 218057368 /nfs/dbraw/zinc/05/73/68/218057368.db2.gz WKAFACBYOVWXRF-FUHWJXTLSA-N 2 0 329.419 3.240 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@H](C)C2)cc1)C(C)C ZINC000124597497 285097837 /nfs/dbraw/zinc/09/78/37/285097837.db2.gz KKDOGCRGBUCIEA-XLIONFOSSA-N 2 0 345.531 3.472 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CC[C@H]1C1CCC1 ZINC000338011229 141072806 /nfs/dbraw/zinc/07/28/06/141072806.db2.gz XBCCLAAAASKUJM-PCCBWWKXSA-N 2 0 328.500 3.312 10 0 EGAERP c1cn(-c2csc(C[N@H+]3CC[C@@H](C[NH+]4CCCCC4)C3)c2)cn1 ZINC000346214995 141182281 /nfs/dbraw/zinc/18/22/81/141182281.db2.gz ZRDZLPJQQZBZAG-INIZCTEOSA-N 2 0 330.501 3.242 10 0 EGAERP CN1CCN([C@@H]2CCCC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000174895866 144053816 /nfs/dbraw/zinc/05/38/16/144053816.db2.gz ULOVXOYJBYWIOU-OAQYLSRUSA-N 2 0 337.511 3.442 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)[NH+]2CCCC2)o1 ZINC000353494357 292255195 /nfs/dbraw/zinc/25/51/95/292255195.db2.gz BOYVXNJVCITSCN-MANSERQUSA-N 2 0 331.504 3.187 10 0 EGAERP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@H](C)N2CC[NH+](C)CC2)o1 ZINC000115616607 152021804 /nfs/dbraw/zinc/02/18/04/152021804.db2.gz NGLQOAXNOZDCMH-HNNXBMFYSA-N 2 0 345.462 3.120 10 0 EGAERP CN1CCN([C@H]2CCCC[N@H+](C/C=C/c3ccc(Cl)cc3)C2)CC1 ZINC000189721225 153092976 /nfs/dbraw/zinc/09/29/76/153092976.db2.gz FZTKCBJYVYBBNS-SGSXCFNPSA-N 2 0 347.934 3.455 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194737343 153355527 /nfs/dbraw/zinc/35/55/27/153355527.db2.gz NWPGACGICVWTBF-ROUUACIJSA-N 2 0 343.515 3.060 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035809 153891487 /nfs/dbraw/zinc/89/14/87/153891487.db2.gz VBBFPGAOEGGURI-DFBGVHRSSA-N 2 0 341.377 3.023 10 0 EGAERP c1nc2ccccn2c1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337375427 154317033 /nfs/dbraw/zinc/31/70/33/154317033.db2.gz GJXGUMPXYKLYIH-INIZCTEOSA-N 2 0 335.455 3.247 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300541 156797717 /nfs/dbraw/zinc/79/77/17/156797717.db2.gz NVHPZGZCUVNRSC-JQFCIGGWSA-N 2 0 334.529 3.265 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1cccc(C[NH+](C)C(C)C)c1 ZINC000110871077 162137669 /nfs/dbraw/zinc/13/76/69/162137669.db2.gz MJPNSRNUHYQEPW-IBGZPJMESA-N 2 0 331.504 3.017 10 0 EGAERP CCCC[C@H]([NH2+]CCCN1CCC[C@@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912070 164064517 /nfs/dbraw/zinc/06/45/17/164064517.db2.gz BUAICBMTCOHHGO-VQTJNVASSA-N 2 0 345.531 3.450 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCOCC(F)(F)C(F)(F)F)CC1 ZINC000345833055 164274882 /nfs/dbraw/zinc/27/48/82/164274882.db2.gz AGBQZIRPRGYXQK-UHFFFAOYSA-N 2 0 346.384 3.254 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C)C[C@H]1c1ccccc1 ZINC000346143554 164348657 /nfs/dbraw/zinc/34/86/57/164348657.db2.gz DLOXHLMGNIIWDG-NRFANRHFSA-N 2 0 347.466 3.064 10 0 EGAERP CSC1(C[NH2+]Cc2ccccc2-c2ccnn2C)CC[NH+](C)CC1 ZINC000353554400 165803061 /nfs/dbraw/zinc/80/30/61/165803061.db2.gz KDPLZDGTYRSORT-UHFFFAOYSA-N 2 0 344.528 3.004 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355129086 166114019 /nfs/dbraw/zinc/11/40/19/166114019.db2.gz ICBLRLGOSZVSMR-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CCSCC[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000355761243 166300110 /nfs/dbraw/zinc/30/01/10/166300110.db2.gz YIFKBJCNZVYJSJ-UHFFFAOYSA-N 2 0 335.561 3.240 10 0 EGAERP COc1c[nH+]ccc1N1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000360247528 167281405 /nfs/dbraw/zinc/28/14/05/167281405.db2.gz CEIJZXSZQYVJKV-UHFFFAOYSA-N 2 0 334.423 3.273 10 0 EGAERP C[NH+]1CCN(CCC[NH2+]C2c3ccccc3CCc3ccccc32)CC1 ZINC000180018505 265393845 /nfs/dbraw/zinc/39/38/45/265393845.db2.gz NNDVPGQTOCJKKT-UHFFFAOYSA-N 2 0 349.522 3.102 10 0 EGAERP CC[N@@H+]1CC[C@H](NC[C@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077406 266261862 /nfs/dbraw/zinc/26/18/62/266261862.db2.gz ORWRBKIUAQTITA-JBACZVJFSA-N 2 0 329.532 3.361 10 0 EGAERP Cc1cnn(CCCCC[NH+]2CCC(Cc3nccn3C)CC2)c1 ZINC000111229070 275182794 /nfs/dbraw/zinc/18/27/94/275182794.db2.gz MVXPVWPHUXFTSP-UHFFFAOYSA-N 2 0 329.492 3.050 10 0 EGAERP CC(C)[C@H](C[NH2+][C@H](C)[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000283463298 275725648 /nfs/dbraw/zinc/72/56/48/275725648.db2.gz VQNIEYQONOFYIV-HZEGPAAWSA-N 2 0 329.532 3.040 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000365667955 275922193 /nfs/dbraw/zinc/92/21/93/275922193.db2.gz OXWFPFYOADISMX-ICSRJNTNSA-N 2 0 333.564 3.469 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000246911727 276154097 /nfs/dbraw/zinc/15/40/97/276154097.db2.gz PTZHOHFSZICJIR-LZLYRXPVSA-N 2 0 349.544 3.122 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653766 276199402 /nfs/dbraw/zinc/19/94/02/276199402.db2.gz RNFOJZKSNBLTGU-CRAIPNDOSA-N 2 0 349.494 3.044 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@H]3CCCF)cn2)CC1 ZINC000337991548 276202903 /nfs/dbraw/zinc/20/29/03/276202903.db2.gz XBZRBEAERASEPC-OALUTQOASA-N 2 0 348.510 3.232 10 0 EGAERP OC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414295041 309071056 /nfs/dbraw/zinc/07/10/56/309071056.db2.gz CYAIVDVTGCMQMY-PMACEKPBSA-N 2 0 328.500 3.182 10 0 EGAERP CC(C)[C@@H]1CCC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414305067 309071893 /nfs/dbraw/zinc/07/18/93/309071893.db2.gz NAIDRWITZCIOBD-VQTJNVASSA-N 2 0 330.516 3.428 10 0 EGAERP CC(C)[C@H](C[NH2+][C@H]1CC[C@@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000275406871 308067258 /nfs/dbraw/zinc/06/72/58/308067258.db2.gz AMXXBVPPZNESBN-HKBOAZHASA-N 2 0 329.532 3.184 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000293716065 308155487 /nfs/dbraw/zinc/15/54/87/308155487.db2.gz MFJICLMHCSFBFH-CVEARBPZSA-N 2 0 329.463 3.265 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@H](CO)[C@H]2CCCOC2)CC1 ZINC000414555094 309088863 /nfs/dbraw/zinc/08/88/63/309088863.db2.gz LYNXEIUVTWXXFI-FUHWJXTLSA-N 2 0 340.552 3.043 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000295409860 308324060 /nfs/dbraw/zinc/32/40/60/308324060.db2.gz MZHZQTGWKFJWAQ-HNNXBMFYSA-N 2 0 339.252 3.427 10 0 EGAERP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414815410 309103421 /nfs/dbraw/zinc/10/34/21/309103421.db2.gz PIRWHDBYMPDOLP-AWEZNQCLSA-N 2 0 335.455 3.194 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817797 309103526 /nfs/dbraw/zinc/10/35/26/309103526.db2.gz BSSWOKREZWDFQG-UMVBOHGHSA-N 2 0 325.294 3.358 10 0 EGAERP CCCc1cc(N2C[C@H](C)[C@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000301772575 308714734 /nfs/dbraw/zinc/71/47/34/308714734.db2.gz FCWCYTPDQTXOAC-HRAATJIYSA-N 2 0 339.483 3.344 10 0 EGAERP C[NH2+]C[C@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000414841420 309105008 /nfs/dbraw/zinc/10/50/08/309105008.db2.gz OAWXDKCGRMRJHM-HNNXBMFYSA-N 2 0 338.455 3.386 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1)[NH+](C)C ZINC000413213852 309021910 /nfs/dbraw/zinc/02/19/10/309021910.db2.gz KIWRNUUUDYGUCN-BHIYHBOVSA-N 2 0 331.504 3.011 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414943381 309110616 /nfs/dbraw/zinc/11/06/16/309110616.db2.gz NSTLDDUYVYGEJR-ABAIWWIYSA-N 2 0 338.377 3.183 10 0 EGAERP COCC1(C[NH2+]C2CCC(c3ccc(OC)cc3)CC2)CC[NH2+]CC1 ZINC000414983717 309112782 /nfs/dbraw/zinc/11/27/82/309112782.db2.gz ZUFYXZLCNGERJO-UHFFFAOYSA-N 2 0 346.515 3.327 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000415040001 309115875 /nfs/dbraw/zinc/11/58/75/309115875.db2.gz JMFSOQOZTPIPAB-DOTOQJQBSA-N 2 0 328.485 3.169 10 0 EGAERP Cc1ccc(CC[C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415057151 309117153 /nfs/dbraw/zinc/11/71/53/309117153.db2.gz RBRAHZZSEQJYJA-PELRDEGISA-N 2 0 329.532 3.122 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000415921457 309148658 /nfs/dbraw/zinc/14/86/58/309148658.db2.gz QONJPHUGTTXYAN-INIZCTEOSA-N 2 0 332.492 3.182 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CC(C)C)C[NH+]1CCCC1 ZINC000415937186 309149910 /nfs/dbraw/zinc/14/99/10/309149910.db2.gz XVOKANMPNYWYRJ-SFHVURJKSA-N 2 0 346.519 3.428 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000415939487 309150248 /nfs/dbraw/zinc/15/02/48/309150248.db2.gz BXWMIQOYTMBSHN-UHFFFAOYSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000415950733 309150929 /nfs/dbraw/zinc/15/09/29/309150929.db2.gz HTVXRBZKIUSVOV-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@@H]1CC[N@H+](CC)[C@H](C)C1 ZINC000415961725 309151412 /nfs/dbraw/zinc/15/14/12/309151412.db2.gz WGAJKOBSMQWBID-NVXWUHKLSA-N 2 0 332.492 3.133 10 0 EGAERP CC[C@@H](C)[NH2+][C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416022377 309154976 /nfs/dbraw/zinc/15/49/76/309154976.db2.gz YYLKUPPDSHMDBC-DYVFJYSZSA-N 2 0 342.443 3.134 10 0 EGAERP CCC(CC)(CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH2+][C@H](C)c1ccccc1 ZINC000417712403 309219207 /nfs/dbraw/zinc/21/92/07/309219207.db2.gz WWLSBOPRUNFMAN-RYRKJORJSA-N 2 0 346.519 3.027 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)c1 ZINC000420394423 309286184 /nfs/dbraw/zinc/28/61/84/309286184.db2.gz KMDKNLCBOXIWKU-LSDHHAIUSA-N 2 0 346.500 3.195 10 0 EGAERP CCC[NH+]1CCC(CN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422746468 309366335 /nfs/dbraw/zinc/36/63/35/309366335.db2.gz WPCOKQWRBOJNHV-SFTDATJTSA-N 2 0 345.531 3.200 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](C)COCc1ccccc1 ZINC000422757154 309366895 /nfs/dbraw/zinc/36/68/95/309366895.db2.gz IFFPXAYFENPQFO-JKSUJKDBSA-N 2 0 327.472 3.352 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422777254 309367777 /nfs/dbraw/zinc/36/77/77/309367777.db2.gz BWFAVWGZOFCXIH-INIZCTEOSA-N 2 0 344.421 3.471 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccc(OC)c2)cc1 ZINC000422779559 309367846 /nfs/dbraw/zinc/36/78/46/309367846.db2.gz CBTKDOMCUAXPQV-LJQANCHMSA-N 2 0 328.456 3.206 10 0 EGAERP COC1CCC(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422838981 309371217 /nfs/dbraw/zinc/37/12/17/309371217.db2.gz PJBBQJZJNMCGCT-JQGZUDLISA-N 2 0 330.472 3.037 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422882070 309373826 /nfs/dbraw/zinc/37/38/26/309373826.db2.gz ACSYTBGKRAEAFS-FKPGQJDZSA-N 2 0 343.515 3.095 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000422887028 309374327 /nfs/dbraw/zinc/37/43/27/309374327.db2.gz XXEVTGZRWGBSFV-WFXMLNOXSA-N 3 0 347.547 3.008 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913060 309375854 /nfs/dbraw/zinc/37/58/54/309375854.db2.gz XOOBVYCTADYKCG-CABCVRRESA-N 2 0 325.447 3.036 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nc(-c2ccccc2)c(C)s1 ZINC000422932533 309376864 /nfs/dbraw/zinc/37/68/64/309376864.db2.gz ZKFQRRLPZSIZMD-INIZCTEOSA-N 2 0 333.501 3.005 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)NC[C@@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962854 309378503 /nfs/dbraw/zinc/37/85/03/309378503.db2.gz GUCAPALDLNOOQL-UZLBHIALSA-N 2 0 332.536 3.400 10 0 EGAERP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993104 309379881 /nfs/dbraw/zinc/37/98/81/309379881.db2.gz SIVREUGYDRPKJI-XLBJILASSA-N 2 0 344.499 3.163 10 0 EGAERP CCC1(C[NH2+][C@@H]2CCC[C@@H]2C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423003909 309380438 /nfs/dbraw/zinc/38/04/38/309380438.db2.gz NONPNEQOEDFWTQ-WOJBJXKFSA-N 3 0 329.532 3.396 10 0 EGAERP COc1ccc([C@H](NCC[C@H](C)[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423036327 309382271 /nfs/dbraw/zinc/38/22/71/309382271.db2.gz TYHQPGNWUUSJFH-WMQCIHAUSA-N 2 0 345.531 3.342 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@H]1c1ccc(F)c(F)c1 ZINC000423042871 309382596 /nfs/dbraw/zinc/38/25/96/309382596.db2.gz MMPZKMVNQZTJTI-DSIZOQBWSA-N 2 0 325.447 3.204 10 0 EGAERP COc1ccc2c(c1)[C@@H](NCCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423193362 309389900 /nfs/dbraw/zinc/38/99/00/309389900.db2.gz XGJLOAUPFKZVKX-IBGZPJMESA-N 2 0 341.455 3.073 10 0 EGAERP c1c[nH]c([C@H](NCCC[NH2+]Cc2cccnc2)C2CCCCC2)n1 ZINC000423191267 309389944 /nfs/dbraw/zinc/38/99/44/309389944.db2.gz SOKUCNKZFHWWIJ-GOSISDBHSA-N 2 0 327.476 3.196 10 0 EGAERP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]CC1([NH3+])CCCCCC1 ZINC000423199810 309390182 /nfs/dbraw/zinc/39/01/82/309390182.db2.gz KPXFLBQNYKSDBD-OAHLLOKOSA-N 2 0 333.476 3.054 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257003 309392620 /nfs/dbraw/zinc/39/26/20/309392620.db2.gz HAKVZLFVUWGHDY-DZGCQCFKSA-N 2 0 347.894 3.269 10 0 EGAERP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423295989 309394350 /nfs/dbraw/zinc/39/43/50/309394350.db2.gz YCPMEUNMELJRSV-HUUCEWRRSA-N 2 0 342.439 3.109 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000423336889 309395925 /nfs/dbraw/zinc/39/59/25/309395925.db2.gz KBPVDDBCNIPURT-RXVVDRJESA-N 2 0 329.532 3.061 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423476405 309401653 /nfs/dbraw/zinc/40/16/53/309401653.db2.gz JBDMYMQUPZAEOR-AZUAARDMSA-N 3 0 329.532 3.204 10 0 EGAERP Cn1ccc([C@@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)n1 ZINC000423489945 309402628 /nfs/dbraw/zinc/40/26/28/309402628.db2.gz XAWCCLHSFUXMDC-WMZOPIPTSA-N 2 0 332.879 3.285 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CCC1=CC[NH2+]CC1)CCC2 ZINC000423534767 309405470 /nfs/dbraw/zinc/40/54/70/309405470.db2.gz AVHHOTSIABSFJZ-OAHLLOKOSA-N 2 0 325.378 3.377 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423549062 309405965 /nfs/dbraw/zinc/40/59/65/309405965.db2.gz RRRXDBYBJWIQSX-HSTIPLNKSA-N 2 0 339.405 3.456 10 0 EGAERP CCc1ccc(C[NH+]2CCN(CCC[NH+]3CCCCC3)CC2)s1 ZINC000444627425 309923279 /nfs/dbraw/zinc/92/32/79/309923279.db2.gz QQMHTBLHPOKOQN-UHFFFAOYSA-N 2 0 335.561 3.304 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@@H](Cc1cccnc1)c1cccc(Cl)c1 ZINC000447598121 309983803 /nfs/dbraw/zinc/98/38/03/309983803.db2.gz UMDGEIUPMXFJHM-IBGZPJMESA-N 2 0 347.890 3.187 10 0 EGAERP C[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000447719988 309986618 /nfs/dbraw/zinc/98/66/18/309986618.db2.gz AJZSILBCMHAXQX-CRAIPNDOSA-N 2 0 345.487 3.275 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449074415 310034875 /nfs/dbraw/zinc/03/48/75/310034875.db2.gz BUHMQWNXMKVYBO-LLVKDONJSA-N 2 0 336.332 3.171 10 0 EGAERP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449119435 310038495 /nfs/dbraw/zinc/03/84/95/310038495.db2.gz ZDUPNORMDYPTOG-MOPGFXCFSA-N 2 0 331.548 3.402 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000449147863 310040401 /nfs/dbraw/zinc/04/04/01/310040401.db2.gz IHQRQUGGNUFSII-YLJYHZDGSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@H]3C2(C)C)CC1 ZINC000449165191 310041490 /nfs/dbraw/zinc/04/14/90/310041490.db2.gz UMBPEVZFOTUAPM-QYRPDUKASA-N 2 0 342.527 3.485 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccnc(C)c2)CC1 ZINC000449400900 310059143 /nfs/dbraw/zinc/05/91/43/310059143.db2.gz DTJAMGAHDKDRHP-UHFFFAOYSA-N 2 0 338.499 3.212 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@@H](O)C(F)F ZINC000449419701 310060226 /nfs/dbraw/zinc/06/02/26/310060226.db2.gz CGQSMECQXQVRIB-JCGIZDLHSA-N 2 0 340.458 3.076 10 0 EGAERP COC[C@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452107914 310212700 /nfs/dbraw/zinc/21/27/00/310212700.db2.gz TWFDRLROTULFBX-PMACEKPBSA-N 2 0 340.552 3.120 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)[C@@H]3CCC[C@@H]32)cc1 ZINC000453187799 310263112 /nfs/dbraw/zinc/26/31/12/310263112.db2.gz AMLNHLXVSVQZIY-ANULTFPQSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@H]([NH2+]CC1(CF)CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453304457 310270039 /nfs/dbraw/zinc/27/00/39/310270039.db2.gz GHLVTIABYRAEAE-INIZCTEOSA-N 2 0 338.467 3.044 10 0 EGAERP C[C@H]([NH2+]CC1(CF)CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000453316404 310270748 /nfs/dbraw/zinc/27/07/48/310270748.db2.gz WJYHWZMNHDWADR-INIZCTEOSA-N 2 0 338.467 3.044 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CCCc2ccccc2C)CC1 ZINC000483223435 310945412 /nfs/dbraw/zinc/94/54/12/310945412.db2.gz DFHUHJNTBMXJJI-UHFFFAOYSA-N 2 0 325.456 3.153 10 0 EGAERP CCC1CCC([N@H+](CCO)Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000488566388 311071604 /nfs/dbraw/zinc/07/16/04/311071604.db2.gz XEEDYYXGOQCTCG-UHFFFAOYSA-N 2 0 342.487 3.339 10 0 EGAERP CC1(C)NC(=O)CC[C@H]1[NH2+]Cc1ccccc1C[NH+]1CCCCCC1 ZINC000495058020 311534805 /nfs/dbraw/zinc/53/48/05/311534805.db2.gz HTZCLXNTYDLBAQ-LJQANCHMSA-N 2 0 343.515 3.209 10 0 EGAERP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)N1CCc2ccccc2C1 ZINC000514096584 312224779 /nfs/dbraw/zinc/22/47/79/312224779.db2.gz XBRNKNHNKCHSSI-GXRSIYKFSA-N 2 0 341.543 3.286 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1[C@@H]2Cc3cc(Cl)ccc3[C@@H]21 ZINC000530208637 313496720 /nfs/dbraw/zinc/49/67/20/313496720.db2.gz GIRLMBHDFCXUSZ-NDYZWRROSA-N 2 0 327.859 3.491 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CC(=O)NC(C)(C)CC)CC1)CC(C)C ZINC000537996298 314223138 /nfs/dbraw/zinc/22/31/38/314223138.db2.gz WFZFRFWOQHPQIG-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538098609 314227087 /nfs/dbraw/zinc/22/70/87/314227087.db2.gz JGTMCISRWIMJPY-KKSFZXQISA-N 2 0 347.522 3.448 10 0 EGAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000552033081 315190524 /nfs/dbraw/zinc/19/05/24/315190524.db2.gz KOCJJBUEEDYMGP-PCCBWWKXSA-N 2 0 329.532 3.389 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000552249718 315209284 /nfs/dbraw/zinc/20/92/84/315209284.db2.gz IJYIYHBMCLPXLZ-QRVBRYPASA-N 2 0 343.515 3.126 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000562744398 315892714 /nfs/dbraw/zinc/89/27/14/315892714.db2.gz GYWIWXSGXJZTCH-MAUKXSAKSA-N 2 0 339.487 3.148 10 0 EGAERP CCC[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000563725803 316062229 /nfs/dbraw/zinc/06/22/29/316062229.db2.gz RDELVNJGGQMBAV-LJQANCHMSA-N 2 0 335.536 3.068 10 0 EGAERP [NH3+]Cc1ccc(C[NH2+][C@H]2CCCc3nn(-c4ccccc4)cc32)cc1 ZINC000563811558 316072830 /nfs/dbraw/zinc/07/28/30/316072830.db2.gz AGYHAGLOYDEUAO-FQEVSTJZSA-N 2 0 332.451 3.498 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@@H](C)C(C)(C)C[NH+](C)C ZINC000570202402 317021814 /nfs/dbraw/zinc/02/18/14/317021814.db2.gz ZDSIODGZWBZKJS-IRXDYDNUSA-N 2 0 336.520 3.116 10 0 EGAERP CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@@H](O)C(F)F ZINC000571083726 317148808 /nfs/dbraw/zinc/14/88/08/317148808.db2.gz SOVWZZITINMPQG-YESZJQIVSA-N 2 0 338.442 3.178 10 0 EGAERP c1ccc(CC[N@H+](Cc2ccc3c(c2)C[NH2+]CC3)[C@H]2CCOC2)cc1 ZINC000571336852 317184581 /nfs/dbraw/zinc/18/45/81/317184581.db2.gz PMLGEXAOASAVOQ-QFIPXVFZSA-N 2 0 336.479 3.166 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000571674369 317231777 /nfs/dbraw/zinc/23/17/77/317231777.db2.gz RYRPFWQRILKPMV-DBKQCEECSA-N 2 0 329.488 3.444 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cc(-c3ccccc3)n[nH]2)C[C@H](C)O1 ZINC000178619783 323359211 /nfs/dbraw/zinc/35/92/11/323359211.db2.gz FRPHPJPBMGLUIV-IRXDYDNUSA-N 2 0 342.487 3.056 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCO1 ZINC000379767031 324241448 /nfs/dbraw/zinc/24/14/48/324241448.db2.gz JERMVCMLJNOZKS-XIYVOTBMSA-N 2 0 328.500 3.444 10 0 EGAERP C[C@H]([NH3+])[C@H]1CC[N@@H+]([C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000241287483 455266695 /nfs/dbraw/zinc/26/66/95/455266695.db2.gz LLULCWNESNCMDO-GVXVVHGQSA-N 2 0 329.257 3.188 10 0 EGAERP CC(C)CC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000158117747 455270807 /nfs/dbraw/zinc/27/08/07/455270807.db2.gz OTLLQWKFMKZRJG-GOSISDBHSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccc2c(c1)[C@@H](NC1CC[NH+](C[C@@H]3CCOC3)CC1)CCCO2 ZINC000132976051 454383107 /nfs/dbraw/zinc/38/31/07/454383107.db2.gz VUXKFADSWIIPBD-PXNSSMCTSA-N 2 0 344.499 3.299 10 0 EGAERP CC[N@@H+]1CC[C@@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)[C@H](C)C1 ZINC000097095639 454405343 /nfs/dbraw/zinc/40/53/43/454405343.db2.gz XEUIBHBBSPOBQM-YLJYHZDGSA-N 2 0 345.531 3.033 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCc2c(F)cccc2Cl)CC1 ZINC000106124590 454681364 /nfs/dbraw/zinc/68/13/64/454681364.db2.gz WHFBBSBFUMLFEW-CQSZACIVSA-N 2 0 342.886 3.046 10 0 EGAERP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccc(-c4ccccc4)o3)C2)CC1 ZINC000093132631 454685820 /nfs/dbraw/zinc/68/58/20/454685820.db2.gz VTYZWCFHIRLLGF-IBGZPJMESA-N 2 0 339.483 3.158 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133222 454826918 /nfs/dbraw/zinc/82/69/18/454826918.db2.gz IUDFPGSLURNEHB-LAUBAEHRSA-N 2 0 339.483 3.178 10 0 EGAERP CC(C)(C)[NH+]1CCC([NH2+]C2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000177856997 454913754 /nfs/dbraw/zinc/91/37/54/454913754.db2.gz NRHICMZNMYOUMM-UHFFFAOYSA-N 2 0 343.515 3.144 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccoc1 ZINC000177884852 454916352 /nfs/dbraw/zinc/91/63/52/454916352.db2.gz QHUMYWBDDOBKHX-UZLBHIALSA-N 2 0 328.456 3.376 10 0 EGAERP C[NH+](C)C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)c1ccccc1 ZINC000178086256 454933458 /nfs/dbraw/zinc/93/34/58/454933458.db2.gz CGXWEKWSZFSNIW-UYAOXDASSA-N 2 0 343.515 3.060 10 0 EGAERP c1nn2ccccc2c1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000179415651 455046248 /nfs/dbraw/zinc/04/62/48/455046248.db2.gz IPLGPKCPSJERBT-SFHVURJKSA-N 2 0 326.488 3.422 10 0 EGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCO2 ZINC000128418677 455055430 /nfs/dbraw/zinc/05/54/30/455055430.db2.gz GHPKPWZZNROAKB-FQEVSTJZSA-N 2 0 345.531 3.134 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2cscn2)CC1 ZINC000152205799 455086361 /nfs/dbraw/zinc/08/63/61/455086361.db2.gz ZHBQETUDEOLEMW-UHFFFAOYSA-N 2 0 344.528 3.007 10 0 EGAERP C[C@@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180651450 455218731 /nfs/dbraw/zinc/21/87/31/455218731.db2.gz AAIJAIJTBZAJML-MRXNPFEDSA-N 2 0 340.471 3.219 10 0 EGAERP COCc1cccc(C[N@@H+]2CC[C@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190479187 455328163 /nfs/dbraw/zinc/32/81/63/455328163.db2.gz UWPPSFSRGMCAMR-OAQYLSRUSA-N 2 0 339.483 3.182 10 0 EGAERP CCC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000159232902 455363461 /nfs/dbraw/zinc/36/34/61/455363461.db2.gz KWGPGPCFEBMKLX-LJQANCHMSA-N 2 0 344.547 3.463 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000265942539 455411523 /nfs/dbraw/zinc/41/15/23/455411523.db2.gz IHAMQOFAZAPRMQ-FXAWDEMLSA-N 2 0 343.515 3.085 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246237202 455455165 /nfs/dbraw/zinc/45/51/65/455455165.db2.gz IITACSNDQMBPRD-VAMGGRTRSA-N 2 0 343.515 3.017 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292266973 455613774 /nfs/dbraw/zinc/61/37/74/455613774.db2.gz ZDXJBJPAKACJMJ-LAUBAEHRSA-N 2 0 343.515 3.473 10 0 EGAERP c1ccc(C[NH+]2CCC[C@H]3C[N@H+](CC4CCOCC4)CC[C@H]32)cc1 ZINC000247994696 455667751 /nfs/dbraw/zinc/66/77/51/455667751.db2.gz JTRQPLGWNDKNJQ-LEWJYISDSA-N 2 0 328.500 3.400 10 0 EGAERP c1csc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000249060440 455743414 /nfs/dbraw/zinc/74/34/14/455743414.db2.gz ZWCTVRMAGPCTKS-BCDXTJNWSA-N 2 0 327.497 3.471 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000268973577 455750370 /nfs/dbraw/zinc/75/03/70/455750370.db2.gz IQFDSKBTIGZFPO-AHRSYUTCSA-N 2 0 344.524 3.456 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000252517885 455819645 /nfs/dbraw/zinc/81/96/45/455819645.db2.gz UFSQYAYYNFJFMZ-VWWARQNISA-N 2 0 327.516 3.427 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2)C[C@@H](C)O1 ZINC000253369816 455834961 /nfs/dbraw/zinc/83/49/61/455834961.db2.gz IJZVBBKVHFPZOA-DGQTTZFYSA-N 2 0 343.515 3.335 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1cn(-c2cccc(Cl)c2Cl)nn1 ZINC000270010845 455857136 /nfs/dbraw/zinc/85/71/36/455857136.db2.gz UKCCVGFXKFKFAX-UHFFFAOYSA-N 2 0 342.274 3.006 10 0 EGAERP COc1ccc(C[N@H+](CCc2ccccn2)C[C@]2(C)CC[NH2+]C2)cc1 ZINC000261998202 455983913 /nfs/dbraw/zinc/98/39/13/455983913.db2.gz LAWYHBSQDNBCSL-OAQYLSRUSA-N 2 0 339.483 3.135 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+](C)C[C@@H]3C)c2)C[C@H](C)O1 ZINC000222171995 456045845 /nfs/dbraw/zinc/04/58/45/456045845.db2.gz WOFXDOOSGVKORC-MIALQEHNSA-N 2 0 331.504 3.048 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H](n2ccnc2C)C1)c1ccccc1 ZINC000229474796 456127795 /nfs/dbraw/zinc/12/77/95/456127795.db2.gz BNGMMZHJTADOKZ-RTBURBONSA-N 2 0 340.471 3.048 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2Cl)CC1 ZINC000188958217 456181983 /nfs/dbraw/zinc/18/19/83/456181983.db2.gz RMAMTKYCOFHCQE-CYBMUJFWSA-N 2 0 328.859 3.004 10 0 EGAERP CC(C)[C@H]1C[C@@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994237 456208600 /nfs/dbraw/zinc/20/86/00/456208600.db2.gz CLAXZIXRKJBXJZ-SJLPKXTDSA-N 2 0 337.533 3.032 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)nc1 ZINC000281971436 456378445 /nfs/dbraw/zinc/37/84/45/456378445.db2.gz GXPAGMPOBSTUQB-HNNXBMFYSA-N 2 0 326.444 3.003 10 0 EGAERP O[C@H](C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048555 456399897 /nfs/dbraw/zinc/39/98/97/456399897.db2.gz LXWNAMCKJFBBGO-QFBILLFUSA-N 2 0 343.446 3.272 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CNCCC[N@H+](C)C(C)C)CC1 ZINC000343160681 456441911 /nfs/dbraw/zinc/44/19/11/456441911.db2.gz MHDGQUQBPVRDSH-UHFFFAOYSA-N 2 0 346.563 3.039 10 0 EGAERP CCN(C(=O)C[NH+](CC)CC)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000337643843 456451071 /nfs/dbraw/zinc/45/10/71/456451071.db2.gz GPVJZGAKOPMSIF-MJGOQNOKSA-N 2 0 331.504 3.012 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC[C@@H]3C(C)(C)C)cn2)CC1 ZINC000348082990 456465398 /nfs/dbraw/zinc/46/53/98/456465398.db2.gz JHHWPOJPEBYXQL-ZWKOTPCHSA-N 2 0 330.520 3.138 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000340470089 456479791 /nfs/dbraw/zinc/47/97/91/456479791.db2.gz ZKVBYRWSUIJPJW-XLIONFOSSA-N 2 0 341.503 3.078 10 0 EGAERP COc1ccc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494676 456629635 /nfs/dbraw/zinc/62/96/35/456629635.db2.gz VPVHYTFVLMLSKZ-UKRRQHHQSA-N 2 0 338.879 3.321 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000322107535 456645054 /nfs/dbraw/zinc/64/50/54/456645054.db2.gz NSVQTMVDCMDWPR-HOCLYGCPSA-N 2 0 335.879 3.051 10 0 EGAERP CN(Cc1cc(O)cc(C(F)(F)F)c1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000291566730 456682236 /nfs/dbraw/zinc/68/22/36/456682236.db2.gz NNSURHRRXBJBIW-YIONKMFJSA-N 2 0 328.378 3.468 10 0 EGAERP CC[NH+]1CCC(CNc2[nH+]ccc3cc(OC)c(OC)cc32)CC1 ZINC000326080742 456690681 /nfs/dbraw/zinc/69/06/81/456690681.db2.gz JIZKSJSQBBESNJ-UHFFFAOYSA-N 2 0 329.444 3.396 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353523222 456735672 /nfs/dbraw/zinc/73/56/72/456735672.db2.gz XMLAMSCEDAAYGG-RLHVNXBHSA-N 2 0 329.532 3.359 10 0 EGAERP CCC[C@H](NC(=O)[C@@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072470 456846448 /nfs/dbraw/zinc/84/64/48/456846448.db2.gz DSURQKCHDCKZRL-LMNJBCLMSA-N 2 0 343.515 3.060 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+]2CC=C(C(C)(C)C)CC2)c1 ZINC000356981132 457255784 /nfs/dbraw/zinc/25/57/84/457255784.db2.gz UUQKTHVUKSRCEO-UHFFFAOYSA-N 2 0 343.515 3.156 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000354507539 457262349 /nfs/dbraw/zinc/26/23/49/457262349.db2.gz LKHNJBATAPDQKN-SFHVURJKSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC[NH2+]Cc1ccccc1-c1ccnn1C ZINC000352014820 457330385 /nfs/dbraw/zinc/33/03/85/457330385.db2.gz OAVBTIFBPLPFBQ-QGZVFWFLSA-N 2 0 326.488 3.441 10 0 EGAERP C[C@@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347385086 457394255 /nfs/dbraw/zinc/39/42/55/457394255.db2.gz ZRINQQAHYSGLMV-UPRUFMODSA-N 2 0 336.483 3.193 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(OC(F)(F)F)cc1 ZINC000361011624 457511677 /nfs/dbraw/zinc/51/16/77/457511677.db2.gz FUMWHKJKDPNPPN-HIFRSBDPSA-N 2 0 346.393 3.347 10 0 EGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCO2 ZINC000374231616 457536664 /nfs/dbraw/zinc/53/66/64/457536664.db2.gz RNFYOZBAAXFFKU-IBGZPJMESA-N 2 0 345.531 3.133 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412687 457540814 /nfs/dbraw/zinc/54/08/14/457540814.db2.gz BYUDJSWJBAQNBH-IEBWSBKVSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]([NH2+]CC1(CO)CC2(CCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000433057489 457655594 /nfs/dbraw/zinc/65/55/94/457655594.db2.gz LXWBXWYZNNLNDS-KRWDZBQOSA-N 2 0 346.515 3.220 10 0 EGAERP C[C@H](C[NH2+][C@H](C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000425940672 457655651 /nfs/dbraw/zinc/65/56/51/457655651.db2.gz AGQFVOGNAPJKGY-VXGBXAGGSA-N 2 0 331.273 3.307 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000364820953 457700022 /nfs/dbraw/zinc/70/00/22/457700022.db2.gz ZAHXALLWUQOJHX-ICSRJNTNSA-N 3 0 329.532 3.219 10 0 EGAERP COC(=O)[C@H]1CCC[N@H+](Cc2cccc(C[NH+]3CCCCC3)c2)C1 ZINC000411215724 457832140 /nfs/dbraw/zinc/83/21/40/457832140.db2.gz IEGKXOBBQTVOEU-IBGZPJMESA-N 2 0 330.472 3.058 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000368104960 458010712 /nfs/dbraw/zinc/01/07/12/458010712.db2.gz MELJRDDLUINTFP-JLAWEPINSA-N 3 0 338.499 3.300 10 0 EGAERP Cc1cc(NC(=O)CC[C@@H]2CCCC[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000412420261 458199598 /nfs/dbraw/zinc/19/95/98/458199598.db2.gz RKOWZYQUOSTSMC-SFHVURJKSA-N 2 0 347.503 3.138 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446593522 458202791 /nfs/dbraw/zinc/20/27/91/458202791.db2.gz OKKPHUOHMPLSRQ-IAGOWNOFSA-N 2 0 346.519 3.175 10 0 EGAERP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539475 458308283 /nfs/dbraw/zinc/30/82/83/458308283.db2.gz AMNIKKSRUVHDSA-LELZANKISA-N 2 0 327.516 3.254 10 0 EGAERP C[C@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521795 458451241 /nfs/dbraw/zinc/45/12/41/458451241.db2.gz TXOFZXMJTJHFGN-IPBYYYPYSA-N 2 0 345.506 3.255 10 0 EGAERP CC[NH+](CC)Cc1ccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)cc1 ZINC000431620556 458597027 /nfs/dbraw/zinc/59/70/27/458597027.db2.gz LEVALEHATWQARA-HXUWFJFHSA-N 2 0 345.531 3.409 10 0 EGAERP CC[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789816 458654146 /nfs/dbraw/zinc/65/41/46/458654146.db2.gz SKHJPSMWMITZPS-KRWDZBQOSA-N 2 0 332.488 3.463 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000494358617 458664075 /nfs/dbraw/zinc/66/40/75/458664075.db2.gz WHIHRNPVDPEIEY-UHFFFAOYSA-N 2 0 346.544 3.112 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C45CCC5)[C@@H]3C2)cc1 ZINC000530215498 458720147 /nfs/dbraw/zinc/72/01/47/458720147.db2.gz GQZPCCFNESNERN-JSXRDJHFSA-N 3 0 339.527 3.161 10 0 EGAERP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CCCO1 ZINC000432432836 458739085 /nfs/dbraw/zinc/73/90/85/458739085.db2.gz YUBBZDAVUIPPIA-SBHAEUEKSA-N 2 0 346.515 3.245 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000494884463 458762003 /nfs/dbraw/zinc/76/20/03/458762003.db2.gz ARQRSIILPVUWHM-VQIMIIECSA-N 2 0 343.515 3.208 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000520044974 459029483 /nfs/dbraw/zinc/02/94/83/459029483.db2.gz LPWVTZGKCHRJPH-SFHVURJKSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCN1CC[N@H+](C)C(C)(C)C1 ZINC000442869616 459048729 /nfs/dbraw/zinc/04/87/29/459048729.db2.gz DUMLDSXHNGCAGH-CQSZACIVSA-N 2 0 343.968 3.338 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@](C)(O)C2CCCCC2)[C@H](C)C1 ZINC000477857007 459063902 /nfs/dbraw/zinc/06/39/02/459063902.db2.gz FTSWFSHDXZEHCK-YZGWKJHDSA-N 2 0 340.552 3.044 10 0 EGAERP C[N@@H+]1CC[C@@H]2[C@H](CCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000520597414 459076860 /nfs/dbraw/zinc/07/68/60/459076860.db2.gz LAAXPXAMXMTSBQ-RHSMWYFYSA-N 2 0 328.485 3.121 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+](C)C)CC1)CCC2 ZINC000594522157 459078556 /nfs/dbraw/zinc/07/85/56/459078556.db2.gz YKVDSFJQZSVOPT-TVPLGVNVSA-N 2 0 330.472 3.313 10 0 EGAERP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)OCCc2ccccc21 ZINC000558509293 459168661 /nfs/dbraw/zinc/16/86/61/459168661.db2.gz MDOOFCKBFUQOJI-CWJKEVGVSA-N 2 0 328.500 3.327 10 0 EGAERP CC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480794391 459219422 /nfs/dbraw/zinc/21/94/22/459219422.db2.gz JALCZYSETDFXLA-CEWLAPEOSA-N 2 0 329.532 3.361 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000590787047 459220030 /nfs/dbraw/zinc/22/00/30/459220030.db2.gz VIDWEAXWXCONKF-INIZCTEOSA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482893740 459329923 /nfs/dbraw/zinc/32/99/23/459329923.db2.gz CAFOLQXBEKGEML-HMXCVIKNSA-N 2 0 329.532 3.361 10 0 EGAERP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)cn(C)c2c1 ZINC000569132000 459402218 /nfs/dbraw/zinc/40/22/18/459402218.db2.gz NGOMCLPUOHOLOW-AQNXPRMDSA-N 2 0 325.500 3.492 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000569690723 459495415 /nfs/dbraw/zinc/49/54/15/459495415.db2.gz KJRVZLNFTGRQTD-IEBWSBKVSA-N 2 0 331.504 3.059 10 0 EGAERP Cn1cc(-c2ccc(C[NH2+]C[C@H]3CCN3C3CCCC3)s2)cn1 ZINC000527806750 459744036 /nfs/dbraw/zinc/74/40/36/459744036.db2.gz FHYKTPWZWAAIED-MRXNPFEDSA-N 2 0 330.501 3.255 10 0 EGAERP c1ccc(CC[NH+]2CCC(NC[C@H]3CC[N@@H+]3C3CCCC3)CC2)cc1 ZINC000527811683 459747434 /nfs/dbraw/zinc/74/74/34/459747434.db2.gz RVNHCHBTRUBFFI-JOCHJYFZSA-N 2 0 341.543 3.300 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C2CCOCC2)CC1 ZINC000574363371 459809856 /nfs/dbraw/zinc/80/98/56/459809856.db2.gz UFEZFCSJDKVUKJ-UHFFFAOYSA-N 2 0 340.471 3.214 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CCCCC[C@H]3[NH3+])c2)C[C@H](C)O1 ZINC000574392385 459813492 /nfs/dbraw/zinc/81/34/92/459813492.db2.gz UITFFEHGUVDXBB-WOUAJJJCSA-N 2 0 331.504 3.368 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC3CCC2(C[NH3+])CC3)cc1 ZINC000566405739 459858444 /nfs/dbraw/zinc/85/84/44/459858444.db2.gz GCTLUJFXYLHTMS-UHFFFAOYSA-N 2 0 343.515 3.262 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983002 460115221 /nfs/dbraw/zinc/11/52/21/460115221.db2.gz WYHYDPRWOGFNOT-HOTGVXAUSA-N 2 0 326.525 3.453 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)COCC)CC1 ZINC000576705066 460197179 /nfs/dbraw/zinc/19/71/79/460197179.db2.gz HCTVGAYNZJMZMC-UHFFFAOYSA-N 2 0 347.547 3.371 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3cccs3)C2)CC1(C)C ZINC000623386361 460521660 /nfs/dbraw/zinc/52/16/60/460521660.db2.gz SRRUGVPICFFCOX-IRXDYDNUSA-N 2 0 335.561 3.423 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)CC1(C)C ZINC000623417866 460538010 /nfs/dbraw/zinc/53/80/10/460538010.db2.gz UXGXKLZDVFBOJR-KRWDZBQOSA-N 2 0 327.472 3.466 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629530563 460798023 /nfs/dbraw/zinc/79/80/23/460798023.db2.gz JWIFDALBUVIKSB-HOCLYGCPSA-N 2 0 330.394 3.167 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629534500 460798717 /nfs/dbraw/zinc/79/87/17/460798717.db2.gz ALUJYTCOYKNKFB-HNNXBMFYSA-N 2 0 349.475 3.282 10 0 EGAERP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000629550032 460803600 /nfs/dbraw/zinc/80/36/00/460803600.db2.gz WWXOWCJMHHYPDA-YDZRNGNQSA-N 2 0 334.891 3.464 10 0 EGAERP Fc1cc(Br)c2c(c1)CC[N@@H+](CC[C@@H]1CCC[NH2+]C1)C2 ZINC000629589933 460818298 /nfs/dbraw/zinc/81/82/98/460818298.db2.gz FKNMHGWMUYPIHH-LBPRGKRZSA-N 2 0 341.268 3.336 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccccc2OC)cc1 ZINC000629653167 460847392 /nfs/dbraw/zinc/84/73/92/460847392.db2.gz HHEFDMZRANSEPV-UHFFFAOYSA-N 2 0 328.456 3.030 10 0 EGAERP C[C@@]1(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCCS1 ZINC000628224901 461054126 /nfs/dbraw/zinc/05/41/26/461054126.db2.gz FLIOVRFHSLPWTA-IBGZPJMESA-N 2 0 334.529 3.019 10 0 EGAERP CC[NH+]1CCN(c2cccc(N[C@@H]3CC[N@H+](C)C(C)(C)C3)c2)CC1 ZINC000628240559 461058420 /nfs/dbraw/zinc/05/84/20/461058420.db2.gz KBGZVHAHOINDTR-GOSISDBHSA-N 2 0 330.520 3.113 10 0 EGAERP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662295077 461173786 /nfs/dbraw/zinc/17/37/86/461173786.db2.gz SMAWTSBFROXYSO-KRWDZBQOSA-N 2 0 339.483 3.371 10 0 EGAERP c1cc(C[N@@H+]2CC3(CCC3)[C@@H]2C2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000668252263 461206774 /nfs/dbraw/zinc/20/67/74/461206774.db2.gz ZQGLVNAZPRNVDO-IBGZPJMESA-N 2 0 338.455 3.048 10 0 EGAERP CC[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662455050 461249904 /nfs/dbraw/zinc/24/99/04/461249904.db2.gz UKJPPSQGTIDHJO-APWZRJJASA-N 2 0 343.515 3.238 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662595927 461311799 /nfs/dbraw/zinc/31/17/99/461311799.db2.gz HGLPAQSVPHWLRC-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP [NH3+]C[C@@H]1CCCc2ccc(C(=O)NCCC[NH+]3CCCCCC3)cc21 ZINC000662666031 461341522 /nfs/dbraw/zinc/34/15/22/461341522.db2.gz POWMGHQANFZUQY-IBGZPJMESA-N 2 0 343.515 3.061 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+]Cc3cc4n(n3)CCCC4)CC2)CC1 ZINC000655752913 461418539 /nfs/dbraw/zinc/41/85/39/461418539.db2.gz RIRXUNLZMDZOTH-UHFFFAOYSA-N 2 0 330.520 3.352 10 0 EGAERP CC(C)c1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806219 461465149 /nfs/dbraw/zinc/46/51/49/461465149.db2.gz RPMHANJAHTXMJN-ZACQAIPSSA-N 2 0 331.504 3.457 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000655805174 461466147 /nfs/dbraw/zinc/46/61/47/461466147.db2.gz KAHCXVBWYQWRNU-CMMDMPAISA-N 3 0 327.516 3.112 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631040298 461490814 /nfs/dbraw/zinc/49/08/14/461490814.db2.gz AVDDKSMXDFVJJB-UHFFFAOYSA-N 2 0 340.515 3.429 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC[C@@H]2CCc3ccccc32)CC1 ZINC000659910841 461494638 /nfs/dbraw/zinc/49/46/38/461494638.db2.gz UVTYMVKWCQKXEG-LEWJYISDSA-N 2 0 341.543 3.208 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc(C(F)F)nc2)cc1 ZINC000631044002 461496750 /nfs/dbraw/zinc/49/67/50/461496750.db2.gz AQAXUABSDNGVDA-UHFFFAOYSA-N 2 0 335.398 3.249 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]Cc3csc(C)c3C)cn2)CC1 ZINC000631046341 461499762 /nfs/dbraw/zinc/49/97/62/461499762.db2.gz GBURNCDPPYAUQN-UHFFFAOYSA-N 2 0 344.528 3.192 10 0 EGAERP [NH3+]CCc1ccccc1C(=O)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000653113221 461507021 /nfs/dbraw/zinc/50/70/21/461507021.db2.gz WYGWZBNOXGMWOP-UHFFFAOYSA-N 2 0 337.467 3.078 10 0 EGAERP Cc1nc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)o1 ZINC000660165495 461616195 /nfs/dbraw/zinc/61/61/95/461616195.db2.gz FQAIVNNBHOKWHM-UHFFFAOYSA-N 2 0 328.460 3.425 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000647322043 461634046 /nfs/dbraw/zinc/63/40/46/461634046.db2.gz CSDLOOBMOOLAAE-GOSISDBHSA-N 2 0 338.495 3.364 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000656200588 461646490 /nfs/dbraw/zinc/64/64/90/461646490.db2.gz AOVUSFVJGCGWJB-HNJRGHQBSA-N 2 0 330.472 3.180 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C[C@@H](C)CC(C)C)CC1 ZINC000663505314 461676381 /nfs/dbraw/zinc/67/63/81/461676381.db2.gz HNAQONDEBSEFRW-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCO2)cc1 ZINC000656405405 461736208 /nfs/dbraw/zinc/73/62/08/461736208.db2.gz PVVKKVHAZDSPHX-ZPAWYTMASA-N 2 0 326.484 3.008 10 0 EGAERP FC(F)Oc1cccc(Cl)c1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000647544507 461759209 /nfs/dbraw/zinc/75/92/09/461759209.db2.gz AZINVWHSYURNCL-TXEJJXNPSA-N 2 0 330.806 3.373 10 0 EGAERP COc1cc2cc[nH+]c(N3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)c2cc1OC ZINC000663720415 461772111 /nfs/dbraw/zinc/77/21/11/461772111.db2.gz ILNPLLDWNMPLTQ-NVXWUHKLSA-N 2 0 341.455 3.173 10 0 EGAERP CO[C@@H](C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000639330885 461865314 /nfs/dbraw/zinc/86/53/14/461865314.db2.gz YFQFJOXCBFRWPG-PMACEKPBSA-N 2 0 328.500 3.303 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786933 461897620 /nfs/dbraw/zinc/89/76/20/461897620.db2.gz XSXSHBKGVPENCY-QGZVFWFLSA-N 2 0 342.512 3.417 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2nc(-c3ccc(Br)cc3)c[nH]2)CC1 ZINC000650713580 461906443 /nfs/dbraw/zinc/90/64/43/461906443.db2.gz WXLRJYACSSMEHT-UHFFFAOYSA-N 2 0 349.276 3.058 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)c(Br)c1 ZINC000650718174 461910266 /nfs/dbraw/zinc/91/02/66/461910266.db2.gz AJMJDHSQHUONHJ-UHFFFAOYSA-N 2 0 349.272 3.467 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1nc2ccc(OC)cc2s1 ZINC000650720438 461913097 /nfs/dbraw/zinc/91/30/97/461913097.db2.gz PDLFCYWZDNLZGJ-UHFFFAOYSA-N 2 0 327.453 3.314 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657288231 462018401 /nfs/dbraw/zinc/01/84/01/462018401.db2.gz CUXRKFDZOYCIHG-UHFFFAOYSA-N 2 0 346.438 3.105 10 0 EGAERP c1cc(C[NH2+]C[C@@H]2CCCN2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657362101 462071707 /nfs/dbraw/zinc/07/17/07/462071707.db2.gz OUHQCDYVEDWUNO-FQEVSTJZSA-N 2 0 347.466 3.022 10 0 EGAERP c1cc(C[NH2+][C@H]2CCOC3(CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657399266 462097882 /nfs/dbraw/zinc/09/78/82/462097882.db2.gz GHEPUSHHJQFUIK-INIZCTEOSA-N 2 0 326.444 3.239 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc3n(n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414551 462108130 /nfs/dbraw/zinc/10/81/30/462108130.db2.gz BDQKTOWEFZIUPS-IEBWSBKVSA-N 2 0 338.499 3.220 10 0 EGAERP c1cc(C[NH2+][C@H]2CCO[C@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657438162 462124619 /nfs/dbraw/zinc/12/46/19/462124619.db2.gz ZSUDJFHBHNFOJG-PXNSSMCTSA-N 2 0 334.423 3.277 10 0 EGAERP COCCC1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCCCC1 ZINC000657440372 462125896 /nfs/dbraw/zinc/12/58/96/462125896.db2.gz YOOTUNYOKRDSTL-UHFFFAOYSA-N 2 0 328.460 3.344 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000664659404 462143046 /nfs/dbraw/zinc/14/30/46/462143046.db2.gz XCKXSJJUHOJFQX-QGZVFWFLSA-N 2 0 327.472 3.399 10 0 EGAERP COc1ccccc1C[C@H]1CCC[N@@H+]1Cc1ccnn1-c1ccncc1 ZINC000667564619 462145790 /nfs/dbraw/zinc/14/57/90/462145790.db2.gz RZOGFBRAFAQJSB-LJQANCHMSA-N 2 0 348.450 3.483 10 0 EGAERP CCC(C)(C)[C@@H](C)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661233346 462162758 /nfs/dbraw/zinc/16/27/58/462162758.db2.gz YCPXEBXPUUAOSE-QGZVFWFLSA-N 2 0 345.531 3.313 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2CC(OC)C2)CC1 ZINC000657527572 462167053 /nfs/dbraw/zinc/16/70/53/462167053.db2.gz DGBRLAPTVVSLKX-UHFFFAOYSA-N 2 0 345.531 3.123 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)s3)cc2)C1 ZINC000657595011 462195969 /nfs/dbraw/zinc/19/59/69/462195969.db2.gz MFSPWOHPUSKPFH-HNNXBMFYSA-N 2 0 336.888 3.258 10 0 EGAERP CSc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000657595317 462197761 /nfs/dbraw/zinc/19/77/61/462197761.db2.gz OQYHNGNBZCVMDW-IBGZPJMESA-N 2 0 342.508 3.265 10 0 EGAERP CCCc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c1 ZINC000657598100 462198691 /nfs/dbraw/zinc/19/86/91/462198691.db2.gz YESYRDHQTMDXHD-QFIPXVFZSA-N 2 0 338.495 3.496 10 0 EGAERP C[C@@H](CO)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836982 462210093 /nfs/dbraw/zinc/21/00/93/462210093.db2.gz YLGFSEUAQGNKIR-YLJYHZDGSA-N 2 0 330.516 3.237 10 0 EGAERP C[C@@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C(F)F ZINC000657874727 462303835 /nfs/dbraw/zinc/30/38/35/462303835.db2.gz YPYKCKOHRITTNH-CQSZACIVSA-N 2 0 328.447 3.439 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753341 462325816 /nfs/dbraw/zinc/32/58/16/462325816.db2.gz NRBNDKMOYBHQLC-UKRRQHHQSA-N 2 0 328.859 3.413 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000665282104 462382734 /nfs/dbraw/zinc/38/27/34/462382734.db2.gz QUNOFSXGSPUZJQ-XRXFAXGQSA-N 3 0 329.532 3.393 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000658136479 462400358 /nfs/dbraw/zinc/40/03/58/462400358.db2.gz HBSBNLUINTWGHP-OXQOHEQNSA-N 2 0 339.483 3.116 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)C1 ZINC000658136677 462400440 /nfs/dbraw/zinc/40/04/40/462400440.db2.gz DSZOLJGWMMFKSL-PKOBYXMFSA-N 2 0 342.508 3.482 10 0 EGAERP CC[C@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658136607 462400504 /nfs/dbraw/zinc/40/05/04/462400504.db2.gz DOHZJGBFIGYCHO-MOPGFXCFSA-N 2 0 344.524 3.426 10 0 EGAERP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658144349 462407807 /nfs/dbraw/zinc/40/78/07/462407807.db2.gz LRTHNLXGRGRXAR-QFBILLFUSA-N 2 0 340.467 3.113 10 0 EGAERP CC(C)C[N@H+](C)CCCN[C@H](C)[C@@H](c1ccccc1)N1CCOCC1 ZINC000652221959 462476637 /nfs/dbraw/zinc/47/66/37/462476637.db2.gz AUTQMGWWOHVOMG-CTNGQTDRSA-N 2 0 347.547 3.016 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H]2CCC[C@@H]21 ZINC000658329235 462479959 /nfs/dbraw/zinc/47/99/59/462479959.db2.gz KGYBIDAKPIEEKD-KKUMJFAQSA-N 2 0 328.378 3.390 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCCC2CC[NH+](CC)CC2)cc1 ZINC000266196637 535602719 /nfs/dbraw/zinc/60/27/19/535602719.db2.gz GLQOLIXKBHSZJY-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP C[C@@H]([NH2+]CCc1coc(-c2ccc(F)cc2)n1)C1CC[NH+](C)CC1 ZINC000091739180 546665154 /nfs/dbraw/zinc/66/51/54/546665154.db2.gz UATMKXKXYXYNJA-CQSZACIVSA-N 2 0 331.435 3.343 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+]C4CCN(C5CC5)CC4)[C@@H]3C2)cc1 ZINC000386542555 547824225 /nfs/dbraw/zinc/82/42/25/547824225.db2.gz RMXMIUOQRVMBNL-BWAGFHJFSA-N 2 0 339.527 3.113 10 0 EGAERP CCC[N@@H+]1CC[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000390883849 547828808 /nfs/dbraw/zinc/82/88/08/547828808.db2.gz UZEFZGCDPDOQGO-UDEWTMQYSA-N 2 0 327.516 3.256 10 0 EGAERP CO[C@@H]1C[C@H]([NH2+][C@@H]2CCN(Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000398128597 547837521 /nfs/dbraw/zinc/83/75/21/547837521.db2.gz ITIMEDMAGBSDDD-RSPOEFSDSA-N 2 0 328.500 3.444 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000675926499 549005703 /nfs/dbraw/zinc/00/57/03/549005703.db2.gz BPLDYMWYSJMOKC-SJORKVTESA-N 2 0 327.472 3.476 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccncc1 ZINC000675926498 549005953 /nfs/dbraw/zinc/00/59/53/549005953.db2.gz BPLDYMWYSJMOKC-IRXDYDNUSA-N 2 0 327.472 3.476 10 0 EGAERP Clc1ccc(CNc2ncnc3c2cnn3-c2ccncc2)o1 ZINC000677001220 549190884 /nfs/dbraw/zinc/19/08/84/549190884.db2.gz HVNFEAINIPWERH-UHFFFAOYSA-N 2 0 326.747 3.069 10 0 EGAERP C[C@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000678079673 549391725 /nfs/dbraw/zinc/39/17/25/549391725.db2.gz VMNSKGWBCIGYET-HKUYNNGSSA-N 2 0 327.516 3.386 10 0 EGAERP C[C@@H](CCc1ccco1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000120632347 1293330837 /nfs/dbraw/zinc/33/08/37/1293330837.db2.gz DODPMOWZBHTQCA-FXAWDEMLSA-N 2 0 342.483 3.347 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131175214 1293682052 /nfs/dbraw/zinc/68/20/52/1293682052.db2.gz JZHWHJADJMHMPQ-NQIIRXRSSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2ccnc2)c1 ZINC000870783575 1296075787 /nfs/dbraw/zinc/07/57/87/1296075787.db2.gz AUDXTGUPQNVIIH-QFBILLFUSA-N 2 0 341.455 3.351 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000870990457 1296166954 /nfs/dbraw/zinc/16/69/54/1296166954.db2.gz FMBXGZPBHSCDMZ-LJQANCHMSA-N 2 0 325.541 3.112 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000872030758 1296680050 /nfs/dbraw/zinc/68/00/50/1296680050.db2.gz CAHUBCCHJUSONH-ICSRJNTNSA-N 2 0 334.504 3.312 10 0 EGAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc3C2)CC1 ZINC000872047407 1296697858 /nfs/dbraw/zinc/69/78/58/1296697858.db2.gz BESQVRPVGFAMNK-BHIFYINESA-N 2 0 342.527 3.292 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872073414 1296718052 /nfs/dbraw/zinc/71/80/52/1296718052.db2.gz QPWQYAZARQQOMJ-IEBWSBKVSA-N 2 0 349.519 3.095 10 0 EGAERP CC[C@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872154829 1296772720 /nfs/dbraw/zinc/77/27/20/1296772720.db2.gz BUTMTHDWVPDDAZ-INIZCTEOSA-N 2 0 337.533 3.035 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1ccc(C(F)(F)F)cc1 ZINC000872154967 1296774264 /nfs/dbraw/zinc/77/42/64/1296774264.db2.gz HSGRRUKASBJQGC-UHFFFAOYSA-N 2 0 331.382 3.095 10 0 EGAERP C(=C\[C@@H]1CCC[NH2+]C1)\c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000872172247 1296795094 /nfs/dbraw/zinc/79/50/94/1296795094.db2.gz BIRYEERJBAKCJN-BJIFSAINSA-N 2 0 338.455 3.345 10 0 EGAERP [NH3+][C@@H](C[C@H]1CCCN(C(=O)[C@@H]2CCCCC[C@@H]2[NH3+])C1)C1CCCC1 ZINC000872312801 1296909741 /nfs/dbraw/zinc/90/97/41/1296909741.db2.gz YCFZSUKWYRCPDV-YSHGAJCASA-N 2 0 335.536 3.040 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]CC2(C)CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000310054855 1297086349 /nfs/dbraw/zinc/08/63/49/1297086349.db2.gz ZLKIDBOUBXCMGI-INIZCTEOSA-N 2 0 339.524 3.098 10 0 EGAERP Brc1ccsc1C[NH+]1CCC2(CC[NH2+]CC2)CC1 ZINC000310742360 1297099083 /nfs/dbraw/zinc/09/90/83/1297099083.db2.gz RJNYMAIQKQHKJG-UHFFFAOYSA-N 2 0 329.307 3.476 10 0 EGAERP Fc1cccc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)c1Br ZINC000311692168 1297111439 /nfs/dbraw/zinc/11/14/39/1297111439.db2.gz KNFLSLXJLLJVBY-TXEJJXNPSA-N 2 0 327.241 3.020 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873249381 1297389578 /nfs/dbraw/zinc/38/95/78/1297389578.db2.gz NCMBYXMTIWVJEW-HGHGUNKESA-N 2 0 342.483 3.039 10 0 EGAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc(OC)cc2Br)CC1 ZINC000383799436 1297574241 /nfs/dbraw/zinc/57/42/41/1297574241.db2.gz OBGDRJRBSOCDHA-UHFFFAOYSA-N 2 0 341.293 3.420 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@H]1CC[C@@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029287 1297723256 /nfs/dbraw/zinc/72/32/56/1297723256.db2.gz IUGMHPGBYQIMGT-CVEARBPZSA-N 2 0 327.513 3.096 10 0 EGAERP C[C@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CN1C(=O)OC(C)(C)C ZINC000399092248 1297723329 /nfs/dbraw/zinc/72/33/29/1297723329.db2.gz UJZASENSNGYBTA-DLBZAZTESA-N 2 0 339.524 3.240 10 0 EGAERP Cc1cc(NC[C@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2[nH+]1 ZINC000702604199 1298195279 /nfs/dbraw/zinc/19/52/79/1298195279.db2.gz HHOPXGMPAKSEMW-JOCHJYFZSA-N 2 0 347.462 3.014 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284256 1298279831 /nfs/dbraw/zinc/27/98/31/1298279831.db2.gz WXYGHKFQJMXAFE-GVDBMIGSSA-N 2 0 339.524 3.238 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](CC[C@@H]3CCCC3(F)F)CC2)CC1 ZINC000878428527 1299995887 /nfs/dbraw/zinc/99/58/87/1299995887.db2.gz UKFZFZRWEKAXJO-KRWDZBQOSA-N 2 0 343.506 3.161 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](CC[C@H]3CCCC3(F)F)CC2)CC1 ZINC000878428528 1299996028 /nfs/dbraw/zinc/99/60/28/1299996028.db2.gz UKFZFZRWEKAXJO-QGZVFWFLSA-N 2 0 343.506 3.161 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCOC2(CCOCC2)C1 ZINC000885905101 1303270937 /nfs/dbraw/zinc/27/09/37/1303270937.db2.gz HOCNBICKFCTWPZ-HXUWFJFHSA-N 2 0 344.499 3.100 10 0 EGAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@@H]4C[C@]45CCOC5)C3)C2)cc1 ZINC000886202839 1303394049 /nfs/dbraw/zinc/39/40/49/1303394049.db2.gz GGUGWMFKHLEZCM-ACRUOGEOSA-N 2 0 326.484 3.011 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC000929428007 1328595719 /nfs/dbraw/zinc/59/57/19/1328595719.db2.gz OZNSZFWXEZTQHS-KDURUIRLSA-N 2 0 333.564 3.447 10 0 EGAERP C[N@H+](CCOC1CCSCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000929753491 1328688386 /nfs/dbraw/zinc/68/83/86/1328688386.db2.gz BDRRIMXLZGJYSA-IBGZPJMESA-N 2 0 348.556 3.353 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000858126031 1328689971 /nfs/dbraw/zinc/68/99/71/1328689971.db2.gz QGUQVHJCFWFMAB-HNNXBMFYSA-N 2 0 339.524 3.238 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140837 1328693880 /nfs/dbraw/zinc/69/38/80/1328693880.db2.gz IIIQDNVECDGJIN-GJZGRUSLSA-N 2 0 331.287 3.489 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@@H](NC(=O)OC(C)(C)C)C2(C)C)CC1(C)C ZINC000858180173 1328705091 /nfs/dbraw/zinc/70/50/91/1328705091.db2.gz MJMWMPJNSLWUKS-RRFJBIMHSA-N 2 0 339.524 3.141 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000858503817 1328781835 /nfs/dbraw/zinc/78/18/35/1328781835.db2.gz HDRPFYISSOZLTI-ZYSHUDEJSA-N 2 0 334.504 3.271 10 0 EGAERP c1ccc(Oc2cccc(C[NH2+]CCCC[NH+]3CCOCC3)c2)nc1 ZINC000921535504 1322343247 /nfs/dbraw/zinc/34/32/47/1322343247.db2.gz CFRDBOWEGBJNHG-UHFFFAOYSA-N 2 0 341.455 3.076 10 0 EGAERP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n(C2CCC2)n1 ZINC000921960944 1322430455 /nfs/dbraw/zinc/43/04/55/1322430455.db2.gz MDGQZDOWZLTAKS-UHFFFAOYSA-N 2 0 325.460 3.009 10 0 EGAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2ccnn2-c2ccccn2)CC1 ZINC000922503182 1322543995 /nfs/dbraw/zinc/54/39/95/1322543995.db2.gz HMURKUVOPJIEMT-UHFFFAOYSA-N 2 0 339.487 3.154 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@]1(C)CCCCO1)C1CC[NH+](C)CC1 ZINC000922820094 1322626580 /nfs/dbraw/zinc/62/65/80/1322626580.db2.gz OEYYBMMUEXSWIP-NRFANRHFSA-N 2 0 345.531 3.266 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@H]2CCCOC2)cc1 ZINC000922896688 1322644211 /nfs/dbraw/zinc/64/42/11/1322644211.db2.gz JBYHEAWBGBZBIL-PZJWPPBQSA-N 2 0 346.515 3.312 10 0 EGAERP O=C(CC1CCCC1)NC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923312601 1322731340 /nfs/dbraw/zinc/73/13/40/1322731340.db2.gz KWDMWPSGIGUNJK-CTXDPNEZSA-N 2 0 347.547 3.068 10 0 EGAERP COc1ccc(C2([NH2+]CCC3C[C@H]4CC[C@@H](C3)[NH2+]4)CCOCC2)cc1 ZINC000923319085 1322733250 /nfs/dbraw/zinc/73/32/50/1322733250.db2.gz UBHPNHNNVIJOSU-JLYLLQBASA-N 2 0 344.499 3.211 10 0 EGAERP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923321447 1322734098 /nfs/dbraw/zinc/73/40/98/1322734098.db2.gz NILFTOLVAWYFJM-SEJPIABJSA-N 3 0 333.564 3.495 10 0 EGAERP CCN(C[C@@H]1CC[N@H+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)C1)CC(F)(F)F ZINC000923328328 1322734661 /nfs/dbraw/zinc/73/46/61/1322734661.db2.gz ZAYRJRSOBOKYOQ-YNBOMUFVSA-N 2 0 347.469 3.113 10 0 EGAERP c1cc2c(cc1[C@H]([NH2+]CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C1CC1)OCCO2 ZINC000923379961 1322742884 /nfs/dbraw/zinc/74/28/84/1322742884.db2.gz SHEQWYXFVRMGNV-BEWIMKILSA-N 2 0 342.483 3.419 10 0 EGAERP C[C@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923494428 1322761488 /nfs/dbraw/zinc/76/14/88/1322761488.db2.gz MUQKPKBBMMIRPI-DOTOQJQBSA-N 2 0 329.513 3.345 10 0 EGAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(OCc2ccccn2)c1 ZINC000924679644 1323109621 /nfs/dbraw/zinc/10/96/21/1323109621.db2.gz NBNVDUWNVSGLTG-HTZLVSCSSA-N 2 0 337.467 3.090 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1csc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000924954021 1323227693 /nfs/dbraw/zinc/22/76/93/1323227693.db2.gz SQYICOMKDZRFJN-CHWSQXEVSA-N 2 0 349.466 3.301 10 0 EGAERP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439571 1325149881 /nfs/dbraw/zinc/14/98/81/1325149881.db2.gz MTXMWYBEERQBHU-FGTMMUONSA-N 2 0 348.535 3.223 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1OC ZINC000925487528 1325172902 /nfs/dbraw/zinc/17/29/02/1325172902.db2.gz CYRXTKCHHMHZFN-QZTJIDSGSA-N 2 0 332.488 3.004 10 0 EGAERP CC1(C)[C@@H](NC[C@@H](c2cccs2)[NH+]2CCCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925492721 1325174842 /nfs/dbraw/zinc/17/48/42/1325174842.db2.gz ICOLWZBBMSWLRA-FZCLSBEQSA-N 2 0 333.545 3.251 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)N(C)C)c1 ZINC000925493018 1325175841 /nfs/dbraw/zinc/17/58/41/1325175841.db2.gz JIPMYNWHMPDYTG-HBMCJLEFSA-N 2 0 345.531 3.056 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925495770 1325178660 /nfs/dbraw/zinc/17/86/60/1325178660.db2.gz NTSFBRYSIMUBGK-NHCUHLMSSA-N 3 0 329.532 3.396 10 0 EGAERP COc1ccccc1[C@@H](CN[C@@H]1CC[NH2+]C12CCCC2)[NH+]1CCCC1 ZINC000925500156 1325179658 /nfs/dbraw/zinc/17/96/58/1325179658.db2.gz AHFRZMIBLLAZMO-UYAOXDASSA-N 2 0 343.515 3.096 10 0 EGAERP COc1ccc([C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)[NH+]2CCCCC2)cc1 ZINC000925501749 1325179679 /nfs/dbraw/zinc/17/96/79/1325179679.db2.gz BZMHQLUJGPHLHW-XUVXKRRUSA-N 2 0 343.515 3.082 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509938 1325184912 /nfs/dbraw/zinc/18/49/12/1325184912.db2.gz QGUWCHWIIOUEBZ-RTBURBONSA-N 2 0 340.515 3.493 10 0 EGAERP CC1(C)[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518302 1325186632 /nfs/dbraw/zinc/18/66/32/1325186632.db2.gz DYHSKTIHGWTOEY-CGXNFDGLSA-N 2 0 341.543 3.265 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000925527414 1325191538 /nfs/dbraw/zinc/19/15/38/1325191538.db2.gz QPAFOHHTGVNGMZ-SJLPKXTDSA-N 2 0 329.488 3.421 10 0 EGAERP c1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544334 1325199835 /nfs/dbraw/zinc/19/98/35/1325199835.db2.gz QALNKUIVRKAYIM-NHCUHLMSSA-N 2 0 342.527 3.493 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(O[C@@H]2CCOC2)c1 ZINC000925553775 1325206050 /nfs/dbraw/zinc/20/60/50/1325206050.db2.gz VQRRHHCIKGDCIW-KZNAEPCWSA-N 2 0 332.488 3.158 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000925566212 1325213354 /nfs/dbraw/zinc/21/33/54/1325213354.db2.gz GGXHQGPBZVPAEX-CNMMBJAOSA-N 2 0 349.469 3.035 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000925581528 1325219090 /nfs/dbraw/zinc/21/90/90/1325219090.db2.gz ZVLPQECCMBGRGE-RBUKOAKNSA-N 2 0 343.515 3.308 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000925581525 1325219320 /nfs/dbraw/zinc/21/93/20/1325219320.db2.gz ZVLPQECCMBGRGE-OALUTQOASA-N 2 0 343.515 3.308 10 0 EGAERP O=C(CCCC[NH2+][C@@H]1CC[NH2+]C12CCCC2)OCc1ccccc1 ZINC000925635953 1325241322 /nfs/dbraw/zinc/24/13/22/1325241322.db2.gz VUXXBDRAMWHVDJ-GOSISDBHSA-N 2 0 330.472 3.164 10 0 EGAERP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C12CCC2 ZINC000925637880 1325242193 /nfs/dbraw/zinc/24/21/93/1325242193.db2.gz UKUNSDOHBGYIIW-ONUIULTDSA-N 2 0 339.527 3.147 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646078 1325245701 /nfs/dbraw/zinc/24/57/01/1325245701.db2.gz SHTZBJRKPHLGHP-CVEARBPZSA-N 2 0 347.894 3.225 10 0 EGAERP CCN(CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)CCC(F)(F)F ZINC000925649710 1325247839 /nfs/dbraw/zinc/24/78/39/1325247839.db2.gz IBYJKLPJZAPTDT-JKSUJKDBSA-N 2 0 335.458 3.019 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(Cl)c1OC ZINC000925675917 1325258510 /nfs/dbraw/zinc/25/85/10/1325258510.db2.gz HKGPICCEDGPXDQ-KGLIPLIRSA-N 2 0 340.895 3.395 10 0 EGAERP CC1(C)[NH2+]CC[C@@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000925718231 1325268009 /nfs/dbraw/zinc/26/80/09/1325268009.db2.gz YHGBEWXCBNRWOO-OALUTQOASA-N 2 0 327.516 3.019 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)OC)c1 ZINC000925721718 1325269923 /nfs/dbraw/zinc/26/99/23/1325269923.db2.gz QCJZHQABAKJHAF-ZCNNSNEGSA-N 2 0 332.488 3.141 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925723440 1325270937 /nfs/dbraw/zinc/27/09/37/1325270937.db2.gz VPYBDBQQUWIUET-UXHICEINSA-N 3 0 327.516 3.148 10 0 EGAERP CC1(C)C[C@@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)C[C@@H]([NH3+])C1 ZINC000925724953 1325271139 /nfs/dbraw/zinc/27/11/39/1325271139.db2.gz OFJUPUXLAFJJEL-QLFBSQMISA-N 2 0 330.394 3.234 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000925779347 1325297731 /nfs/dbraw/zinc/29/77/31/1325297731.db2.gz XJCOMLGILTUCJB-ZBFHGGJFSA-N 2 0 328.834 3.496 10 0 EGAERP FC1(F)CC[NH2+]C[C@H]1CN[C@H]1CCc2c1cccc2Br ZINC000925781134 1325299581 /nfs/dbraw/zinc/29/95/81/1325299581.db2.gz HKXLFJDPCUHQAQ-HZMBPMFUSA-N 2 0 345.231 3.271 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(F)c1F ZINC000925816748 1325315021 /nfs/dbraw/zinc/31/50/21/1325315021.db2.gz JWMZXQOYGZOJAQ-HNNXBMFYSA-N 2 0 345.437 3.221 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(F)cc2C)CC[NH2+]CC1 ZINC000925826740 1325318211 /nfs/dbraw/zinc/31/82/11/1325318211.db2.gz IUKFJPOTTFIYOL-HUUCEWRRSA-N 2 0 336.451 3.106 10 0 EGAERP Fc1cccc2c1SCC[C@H]2[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925851303 1325330226 /nfs/dbraw/zinc/33/02/26/1325330226.db2.gz XBCJVOXTAXNLEL-QGZVFWFLSA-N 2 0 337.508 3.028 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2ccccc2c1 ZINC000925850934 1325330869 /nfs/dbraw/zinc/33/08/69/1325330869.db2.gz AEJVKTIYNWCAFH-BEFAXECRSA-N 2 0 338.451 3.176 10 0 EGAERP Cc1c2ccccc2oc1[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857876 1325332561 /nfs/dbraw/zinc/33/25/61/1325332561.db2.gz WZLPMEVIMAGGIE-LSDHHAIUSA-N 2 0 342.439 3.077 10 0 EGAERP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857875 1325332916 /nfs/dbraw/zinc/33/29/16/1325332916.db2.gz WZLPMEVIMAGGIE-HUUCEWRRSA-N 2 0 342.439 3.077 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H](c2nnc[nH]2)C2CCCCC2)C1 ZINC000925881110 1325340691 /nfs/dbraw/zinc/34/06/91/1325340691.db2.gz FXRFXXIIZFYDPH-GGPKGHCWSA-N 2 0 339.487 3.075 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)C1 ZINC000925886954 1325343441 /nfs/dbraw/zinc/34/34/41/1325343441.db2.gz OBUYQNCGGRTVCS-SFFUCWETSA-N 2 0 334.554 3.015 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000925907266 1325353662 /nfs/dbraw/zinc/35/36/62/1325353662.db2.gz XMSJBAVCDIFSQV-DNVCBOLYSA-N 2 0 344.503 3.181 10 0 EGAERP CSC1(C[NH2+][C@H](C)c2ccnn2CC2CCC2)CC[NH+](C)CC1 ZINC000926447783 1325558642 /nfs/dbraw/zinc/55/86/42/1325558642.db2.gz GMCAVACYDJMHTE-OAHLLOKOSA-N 2 0 336.549 3.161 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccnn1C1CCC1 ZINC000926675106 1327662307 /nfs/dbraw/zinc/66/23/07/1327662307.db2.gz IINZTGYCWXOAQT-INIZCTEOSA-N 2 0 346.519 3.150 10 0 EGAERP COc1cc(Br)cc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c1 ZINC000926904289 1327767163 /nfs/dbraw/zinc/76/71/63/1327767163.db2.gz FOZLBTNKSCKXCT-GFCCVEGCSA-N 2 0 341.293 3.278 10 0 EGAERP C[C@H]([NH2+][C@H](C1CC1)[C@@H]1CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927068969 1327840057 /nfs/dbraw/zinc/84/00/57/1327840057.db2.gz KKTQFBHOHRTCHO-LDQXTDLNSA-N 2 0 346.515 3.483 10 0 EGAERP C[C@@H]([NH2+]C1([C@H]2CCCCO2)CC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927157958 1327898481 /nfs/dbraw/zinc/89/84/81/1327898481.db2.gz AAXJPNIURZFSSY-VQIMIIECSA-N 2 0 332.488 3.379 10 0 EGAERP COc1ccc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000863548475 1329562465 /nfs/dbraw/zinc/56/24/65/1329562465.db2.gz XQNXHFHXQOVGIA-FUHIMQAGSA-N 2 0 345.531 3.472 10 0 EGAERP Cc1ccnc(C[NH2+]C2CCC([NH+](C)C)CC2)c1Br ZINC000865605579 1329719034 /nfs/dbraw/zinc/71/90/34/1329719034.db2.gz DHOWNSJOGLMXGG-UHFFFAOYSA-N 2 0 326.282 3.115 10 0 EGAERP c1ccc(C[NH+]2CCCC[C@H]2CN[C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865803980 1329740200 /nfs/dbraw/zinc/74/02/00/1329740200.db2.gz NZPPWCQKUNNNSY-HKBOAZHASA-N 2 0 327.516 3.258 10 0 EGAERP C[C@H]([NH2+][C@H](C1CCC1)[C@@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866510261 1330119969 /nfs/dbraw/zinc/11/99/69/1330119969.db2.gz MBVJTRPSBLWBST-LDQXTDLNSA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)C1 ZINC000868187136 1330260154 /nfs/dbraw/zinc/26/01/54/1330260154.db2.gz DYBGTNVILLGFGU-JCGIZDLHSA-N 2 0 344.503 3.133 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001323565571 1387390964 /nfs/dbraw/zinc/39/09/64/1387390964.db2.gz CPELPANGBSREDZ-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001323613946 1387406164 /nfs/dbraw/zinc/40/61/64/1387406164.db2.gz OWEWIHDQPFUWQM-QGZVFWFLSA-N 2 0 343.515 3.205 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH+](CC2CCC2)C1 ZINC001323642676 1387416245 /nfs/dbraw/zinc/41/62/45/1387416245.db2.gz NWPKSNCGJJPYPJ-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1cccc(F)c1)[NH+](CC)CC ZINC001324224687 1387561748 /nfs/dbraw/zinc/56/17/48/1387561748.db2.gz DMTWQTAZADTNNH-RTBURBONSA-N 2 0 349.494 3.027 10 0 EGAERP CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727086 1387753131 /nfs/dbraw/zinc/75/31/31/1387753131.db2.gz FGKJCFZUNUGLIR-ICSRJNTNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001324864476 1387796229 /nfs/dbraw/zinc/79/62/29/1387796229.db2.gz MIWJFMVBVMCNMI-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC1(C)CCC[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)O1 ZINC001192480422 1367793668 /nfs/dbraw/zinc/79/36/68/1367793668.db2.gz AOVQNGBQAXDOGL-IBGZPJMESA-N 2 0 338.536 3.159 10 0 EGAERP CC1(C)[C@H](O)CC[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001194627226 1368299366 /nfs/dbraw/zinc/29/93/66/1368299366.db2.gz WRNOAOGKVMTMCC-HXUWFJFHSA-N 2 0 330.516 3.176 10 0 EGAERP C[C@H]1CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001325600221 1388009957 /nfs/dbraw/zinc/00/99/57/1388009957.db2.gz ZRHGYWTUHCNECX-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)c1 ZINC001119633767 1371380091 /nfs/dbraw/zinc/38/00/91/1371380091.db2.gz UVTQXEWNLWYSTO-UHFFFAOYSA-N 2 0 345.531 3.188 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326273641 1388138624 /nfs/dbraw/zinc/13/86/24/1388138624.db2.gz WNQFPGFTVKAWGV-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001326305977 1388148671 /nfs/dbraw/zinc/14/86/71/1388148671.db2.gz WKYSYXJLUPPSEW-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001326436410 1388187470 /nfs/dbraw/zinc/18/74/70/1388187470.db2.gz CZQYKOMYKFKCRU-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001326541443 1388233799 /nfs/dbraw/zinc/23/37/99/1388233799.db2.gz VKDNBOCDPUCTMG-WGSAOQKQSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001327172660 1388421407 /nfs/dbraw/zinc/42/14/07/1388421407.db2.gz LWONUJSKHFZEPP-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001327272026 1388475524 /nfs/dbraw/zinc/47/55/24/1388475524.db2.gz VAPYQKJUPGSETQ-QZTJIDSGSA-N 2 0 325.541 3.077 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001266222320 1377233794 /nfs/dbraw/zinc/23/37/94/1377233794.db2.gz ADRFWDMREHDKQT-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C[NH+]2CCCC2)CC1 ZINC001267181118 1377427168 /nfs/dbraw/zinc/42/71/68/1377427168.db2.gz GUYQFWFEXFLTFC-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CCC[NH+]1CCC1CC1 ZINC001267271502 1377436132 /nfs/dbraw/zinc/43/61/32/1377436132.db2.gz XAEIPBOIEOYRRJ-GOSISDBHSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001267531700 1377452878 /nfs/dbraw/zinc/45/28/78/1377452878.db2.gz XBKJLPXRCXLNLU-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267657681 1377465188 /nfs/dbraw/zinc/46/51/88/1377465188.db2.gz BZMCOTCBJSFDTG-WBVHZDCISA-N 2 0 342.487 3.083 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267912196 1377477016 /nfs/dbraw/zinc/47/70/16/1377477016.db2.gz GIQJYCZQTYVOCG-ONEGZZNKSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001268589945 1377513606 /nfs/dbraw/zinc/51/36/06/1377513606.db2.gz AIHPRZSZIDHURA-JTHGQSKGSA-N 2 0 345.531 3.296 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001269544692 1377558122 /nfs/dbraw/zinc/55/81/22/1377558122.db2.gz OTUWCLCHVFZEKL-IEBWSBKVSA-N 2 0 343.515 3.106 10 0 EGAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001270830923 1377615292 /nfs/dbraw/zinc/61/52/92/1377615292.db2.gz UUINGSMMHGSHLQ-UYAOXDASSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001273166006 1378090686 /nfs/dbraw/zinc/09/06/86/1378090686.db2.gz IODWPARCWLZWNC-ZWKOTPCHSA-N 2 0 335.536 3.212 10 0 EGAERP C[C@@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCC2=CCCCC2)C1 ZINC001278451314 1378271202 /nfs/dbraw/zinc/27/12/02/1378271202.db2.gz VIMNTWTVMYMLLR-OAQYLSRUSA-N 2 0 347.547 3.334 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001278996604 1378295567 /nfs/dbraw/zinc/29/55/67/1378295567.db2.gz ZKCSTPKFAXDFQS-OKZBNKHCSA-N 2 0 339.568 3.273 10 0 EGAERP Cc1cccc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001281684230 1378449475 /nfs/dbraw/zinc/44/94/75/1378449475.db2.gz JOUNYCUIRUULOF-QUCCMNQESA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001282275222 1378494236 /nfs/dbraw/zinc/49/42/36/1378494236.db2.gz VFEKGRBJAKWKIT-ACBHZAAOSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282663181 1378532249 /nfs/dbraw/zinc/53/22/49/1378532249.db2.gz AABGJTCWNNIJCK-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC001282973791 1378693781 /nfs/dbraw/zinc/69/37/81/1378693781.db2.gz WYYNXDXPYQSGAI-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001283051557 1378717371 /nfs/dbraw/zinc/71/73/71/1378717371.db2.gz PIOLWYDDXXESKM-RDGPPVDQSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001283187329 1378756371 /nfs/dbraw/zinc/75/63/71/1378756371.db2.gz TXSDBDWLBOMPCI-LPHOPBHVSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001283259086 1378774040 /nfs/dbraw/zinc/77/40/40/1378774040.db2.gz FFGSCHRQJFGRRM-RTBURBONSA-N 2 0 345.531 3.020 10 0 EGAERP CC[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)C1 ZINC001327681370 1388578284 /nfs/dbraw/zinc/57/82/84/1388578284.db2.gz ZBZZJINAPQOZOR-KXBFYZLASA-N 2 0 330.472 3.172 10 0 EGAERP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@H](C)C3)cc2C1 ZINC001327694760 1388584448 /nfs/dbraw/zinc/58/44/48/1388584448.db2.gz CALYZWCYGAMPJR-IRXDYDNUSA-N 2 0 343.515 3.006 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCC1 ZINC001283632113 1379067711 /nfs/dbraw/zinc/06/77/11/1379067711.db2.gz ZSURWDLWBYDWKI-INIZCTEOSA-N 2 0 337.552 3.266 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001283677017 1379104597 /nfs/dbraw/zinc/10/45/97/1379104597.db2.gz GZGJWRMCOVNBSS-FUHWJXTLSA-N 2 0 325.541 3.122 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001283677445 1379105785 /nfs/dbraw/zinc/10/57/85/1379105785.db2.gz KTQHLXACZWRAOW-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001283720239 1379141428 /nfs/dbraw/zinc/14/14/28/1379141428.db2.gz ARJJSTBEIRSXBU-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CC2=CCCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001283912734 1379263153 /nfs/dbraw/zinc/26/31/53/1379263153.db2.gz DCOVLNTXAIWHNO-SJLPKXTDSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c1 ZINC001283924870 1379276712 /nfs/dbraw/zinc/27/67/12/1379276712.db2.gz BBDJMPULTQVLIB-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001284155458 1379551706 /nfs/dbraw/zinc/55/17/06/1379551706.db2.gz VBSUTXPRZLASFE-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001327905558 1388620571 /nfs/dbraw/zinc/62/05/71/1388620571.db2.gz VOVLHFNCMWNGTD-HKUYNNGSSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@H+](C)CCN(C(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001284543388 1379949949 /nfs/dbraw/zinc/94/99/49/1379949949.db2.gz GHKSZSUYLDAOFR-UHFFFAOYSA-N 2 0 325.541 3.077 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CCC1 ZINC001284600062 1380000957 /nfs/dbraw/zinc/00/09/57/1380000957.db2.gz YPQUOXBRGJVOLG-KRWDZBQOSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001327995780 1388640858 /nfs/dbraw/zinc/64/08/58/1388640858.db2.gz NZQRLDQZJILMRX-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001153482492 1380084020 /nfs/dbraw/zinc/08/40/20/1380084020.db2.gz MKNZBZPYIYRTRF-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001284684048 1380094140 /nfs/dbraw/zinc/09/41/40/1380094140.db2.gz KCPAUSPQASYQTF-YKMDAGRBSA-N 2 0 349.563 3.432 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CCC([C@H](C)NC(=O)CC[NH+](C)C)CC2)c1 ZINC001284722701 1380142931 /nfs/dbraw/zinc/14/29/31/1380142931.db2.gz BJMLGNFWXGBDBX-ZWKOTPCHSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001328029897 1388649478 /nfs/dbraw/zinc/64/94/78/1388649478.db2.gz WNGNORTUKREAGX-GOSISDBHSA-N 2 0 337.552 3.410 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C2CC[NH+](CCC(C)(C)C)CC2)CC1 ZINC001284846756 1380269360 /nfs/dbraw/zinc/26/93/60/1380269360.db2.gz RYRLNCHSGFMFMB-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001284911446 1380307078 /nfs/dbraw/zinc/30/70/78/1380307078.db2.gz ZTIFIQVAZUYYIR-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001284928780 1380317641 /nfs/dbraw/zinc/31/76/41/1380317641.db2.gz GGSZZXWGPVUEOE-SFHVURJKSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001328051471 1388654532 /nfs/dbraw/zinc/65/45/32/1388654532.db2.gz UPDRLKQXEQBFPP-UHFFFAOYSA-N 2 0 345.531 3.379 10 0 EGAERP Cc1cccc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C2)c1 ZINC001328113225 1388677107 /nfs/dbraw/zinc/67/71/07/1388677107.db2.gz MBRQXBDUHTVZAB-LJQANCHMSA-N 2 0 345.531 3.052 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001328254023 1388699211 /nfs/dbraw/zinc/69/92/11/1388699211.db2.gz DEOZOGUCDITHDL-YQJUVHNHSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001328363481 1388730849 /nfs/dbraw/zinc/73/08/49/1388730849.db2.gz VVPBCSNWDMPJMX-ZWKOTPCHSA-N 2 0 343.515 3.108 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001297273577 1383136277 /nfs/dbraw/zinc/13/62/77/1383136277.db2.gz MMNCSUGFICBMGH-WBVHZDCISA-N 2 0 338.455 3.306 10 0 EGAERP CC(C)(C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001328897377 1388898488 /nfs/dbraw/zinc/89/84/88/1388898488.db2.gz MODOUVMQECAUAH-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001316652767 1384506738 /nfs/dbraw/zinc/50/67/38/1384506738.db2.gz PPXVANZAGIRQPR-JENIJYKNSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001316771987 1384570660 /nfs/dbraw/zinc/57/06/60/1384570660.db2.gz VGYJIPLIUODGRG-SFHVURJKSA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316774052 1384572618 /nfs/dbraw/zinc/57/26/18/1384572618.db2.gz IQSPRLXOBQPZHX-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H]1C)[NH+](CC)CC ZINC001316792099 1384584647 /nfs/dbraw/zinc/58/46/47/1384584647.db2.gz DHSPDNYBZBXKGL-YZGWKJHDSA-N 2 0 345.531 3.194 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316807081 1384600031 /nfs/dbraw/zinc/60/00/31/1384600031.db2.gz ZEFQIHGFLZTFCG-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001316812471 1384610764 /nfs/dbraw/zinc/61/07/64/1384610764.db2.gz WTGZTSWWVRYRPS-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCCCCC1 ZINC001316826060 1384619338 /nfs/dbraw/zinc/61/93/38/1384619338.db2.gz XJWGVPRWXACAAV-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1ccc2c(c1)CCC2)[NH+](C)C ZINC001316851187 1384639460 /nfs/dbraw/zinc/63/94/60/1384639460.db2.gz RRPIRTKYTLXQLL-JXFKEZNVSA-N 2 0 345.531 3.015 10 0 EGAERP C[C@H]([NH2+]CCCF)[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316878434 1384663028 /nfs/dbraw/zinc/66/30/28/1384663028.db2.gz HRORWWHIBSQNLB-QFBILLFUSA-N 2 0 349.494 3.081 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1 ZINC001316898527 1384677946 /nfs/dbraw/zinc/67/79/46/1384677946.db2.gz CVPJYTUECRDRIO-BJLQDIEVSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](CC1CCCC1)C1CC1 ZINC001316926418 1384697138 /nfs/dbraw/zinc/69/71/38/1384697138.db2.gz AHOIPFZOHWZDAH-IAGOWNOFSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001316942992 1384714228 /nfs/dbraw/zinc/71/42/28/1384714228.db2.gz IFZXAQYHBSNTKC-QZTJIDSGSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317007967 1384771149 /nfs/dbraw/zinc/77/11/49/1384771149.db2.gz SOIKVBKOMGYWRB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1)[NH+]1CCCC1 ZINC001317035446 1384805405 /nfs/dbraw/zinc/80/54/05/1384805405.db2.gz UFAKEOQWZWYZHV-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1)[NH+]1CCCC1 ZINC001317035447 1384806061 /nfs/dbraw/zinc/80/60/61/1384806061.db2.gz UFAKEOQWZWYZHV-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317070194 1384839387 /nfs/dbraw/zinc/83/93/87/1384839387.db2.gz ZCGXCTUWDINPJU-OBNUAKFSSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317100628 1384864074 /nfs/dbraw/zinc/86/40/74/1384864074.db2.gz VGYRQZREBQEWBF-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001317190399 1384964796 /nfs/dbraw/zinc/96/47/96/1384964796.db2.gz UBGMBNNGDRVIRG-DXPXIUTNSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205857 1384982001 /nfs/dbraw/zinc/98/20/01/1384982001.db2.gz BJJQDHFWLCEBAO-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001317218663 1384998728 /nfs/dbraw/zinc/99/87/28/1384998728.db2.gz KFAXSTWXNFDKPP-UHFFFAOYSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001317221745 1385002225 /nfs/dbraw/zinc/00/22/25/1385002225.db2.gz RAQYCEDRDVBWFR-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246628 1385019733 /nfs/dbraw/zinc/01/97/33/1385019733.db2.gz VXAJBNGHFWORDG-UYAOXDASSA-N 2 0 345.531 3.081 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317340474 1385092542 /nfs/dbraw/zinc/09/25/42/1385092542.db2.gz LHXBYTMSIVEIFR-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317361657 1385104551 /nfs/dbraw/zinc/10/45/51/1385104551.db2.gz XWHDNSWDDQRGCI-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317381809 1385108348 /nfs/dbraw/zinc/10/83/48/1385108348.db2.gz OHHUXDLURBUBIP-FQEVSTJZSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCC1 ZINC001317409333 1385120687 /nfs/dbraw/zinc/12/06/87/1385120687.db2.gz UFTBIFCWTNHAAK-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001317416330 1385125955 /nfs/dbraw/zinc/12/59/55/1385125955.db2.gz UKLXKNIYCKLFIF-KXBFYZLASA-N 2 0 349.494 3.028 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001317425963 1385131922 /nfs/dbraw/zinc/13/19/22/1385131922.db2.gz CXVLSORSFSIJHG-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001317434887 1385138004 /nfs/dbraw/zinc/13/80/04/1385138004.db2.gz NQTPIIQNBFHKIQ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(C)C ZINC001317435094 1385138437 /nfs/dbraw/zinc/13/84/37/1385138437.db2.gz PIENXHVETIUZBF-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001317504944 1385210888 /nfs/dbraw/zinc/21/08/88/1385210888.db2.gz KTQAHJHUMBIXDE-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001317516729 1385232372 /nfs/dbraw/zinc/23/23/72/1385232372.db2.gz PYQUJYKNNRLTSV-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001317558957 1385334161 /nfs/dbraw/zinc/33/41/61/1385334161.db2.gz NMQPNEUAIDWHAC-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317675498 1385382164 /nfs/dbraw/zinc/38/21/64/1385382164.db2.gz IGUFZMCKIATMCH-DKFQHHCZSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](CC(C)C)C(C)C)ccc2c[nH+]cn21 ZINC001317693251 1385402890 /nfs/dbraw/zinc/40/28/90/1385402890.db2.gz IOLHQKCJQHVIHW-UHFFFAOYSA-N 2 0 330.476 3.129 10 0 EGAERP C[N@@H+]1CCC[C@H]2[C@H]1CCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001175882579 1385429761 /nfs/dbraw/zinc/42/97/61/1385429761.db2.gz JIYKTTSZOZKVLG-RTWAWAEBSA-N 2 0 327.516 3.341 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317835937 1385523234 /nfs/dbraw/zinc/52/32/34/1385523234.db2.gz JIEGGESRLMUXMX-GBESFXJTSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001317842552 1385529369 /nfs/dbraw/zinc/52/93/69/1385529369.db2.gz UDKZIINIHOMHNL-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001317973413 1385593603 /nfs/dbraw/zinc/59/36/03/1385593603.db2.gz XSVDGDSQPDZOEC-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001317973411 1385593733 /nfs/dbraw/zinc/59/37/33/1385593733.db2.gz XSVDGDSQPDZOEC-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CCCc1ccc(C[N@@H+]2CCC[C@H](NC(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001317994215 1385604405 /nfs/dbraw/zinc/60/44/05/1385604405.db2.gz NWXUYPSOHDBZPC-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318563019 1385758966 /nfs/dbraw/zinc/75/89/66/1385758966.db2.gz UHOQJULIIPOYOO-MSOLQXFVSA-N 2 0 345.531 3.191 10 0 EGAERP CCC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001318887893 1385871881 /nfs/dbraw/zinc/87/18/81/1385871881.db2.gz YNFTVQBHSIYIOZ-YKMDAGRBSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]C[C@H](C)CC)CC1 ZINC001318895773 1385873189 /nfs/dbraw/zinc/87/31/89/1385873189.db2.gz JEMVIKOYOFRDDU-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ccccc2C)CC1 ZINC001318926286 1385883825 /nfs/dbraw/zinc/88/38/25/1385883825.db2.gz NKPXGSFSWFTSFQ-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001319069840 1385951626 /nfs/dbraw/zinc/95/16/26/1385951626.db2.gz NVDHMKQTDJTADC-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001319144443 1385977121 /nfs/dbraw/zinc/97/71/21/1385977121.db2.gz FFFTYZAPDYVJBT-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CCCC(C)C)C2)CC1 ZINC001319145637 1385979372 /nfs/dbraw/zinc/97/93/72/1385979372.db2.gz VHGOSVAQEIVUBM-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC2(C[NH+](CCCC(C)C)C2)CC1 ZINC001319402689 1386105312 /nfs/dbraw/zinc/10/53/12/1386105312.db2.gz NANHZHNYTKEWQR-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(F)cc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512938 1386154767 /nfs/dbraw/zinc/15/47/67/1386154767.db2.gz XKGJDTGKEVDJKO-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001319683533 1386250586 /nfs/dbraw/zinc/25/05/86/1386250586.db2.gz PTOZDHLEYMCMMJ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001319779479 1386293899 /nfs/dbraw/zinc/29/38/99/1386293899.db2.gz USJIAMYAALSBQW-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001319823180 1386318513 /nfs/dbraw/zinc/31/85/13/1386318513.db2.gz AIRZKNJORHTAFQ-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163872 1386542952 /nfs/dbraw/zinc/54/29/52/1386542952.db2.gz KIIGWLFWVKECDZ-MOPGFXCFSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C ZINC001320416813 1386604224 /nfs/dbraw/zinc/60/42/24/1386604224.db2.gz WMBYHFILKQKTQP-DLBZAZTESA-N 2 0 325.541 3.170 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320463011 1386616413 /nfs/dbraw/zinc/61/64/13/1386616413.db2.gz CUJDQWPAAWFESP-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001320643968 1386677570 /nfs/dbraw/zinc/67/75/70/1386677570.db2.gz IFTCNUNNBFKQEI-UYAOXDASSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)CCC[NH+]1CCCC1 ZINC001320645111 1386678260 /nfs/dbraw/zinc/67/82/60/1386678260.db2.gz PQMPCDUZGWCVQT-PXNSSMCTSA-N 2 0 343.515 3.034 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001320782936 1386717324 /nfs/dbraw/zinc/71/73/24/1386717324.db2.gz WXVXEZNYQYFZLH-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001320881615 1386747020 /nfs/dbraw/zinc/74/70/20/1386747020.db2.gz YAWORKCVYNBWRY-UHFFFAOYSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321848017 1386996003 /nfs/dbraw/zinc/99/60/03/1386996003.db2.gz CWJIACJOMYLUEY-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1C ZINC001321906800 1387007350 /nfs/dbraw/zinc/00/73/50/1387007350.db2.gz JEUQGCYEMKHXSC-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc2ccccc2c1)NC(=O)C[NH+]1CCCC1 ZINC001322080068 1387047394 /nfs/dbraw/zinc/04/73/94/1387047394.db2.gz QGEXUOSLWWSYGV-IRXDYDNUSA-N 2 0 339.483 3.091 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001322157305 1387081131 /nfs/dbraw/zinc/08/11/31/1387081131.db2.gz PISLAIHLVUXXHI-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001322280951 1387136814 /nfs/dbraw/zinc/13/68/14/1387136814.db2.gz LLGHPAXAPYJTLG-OXJNMPFZSA-N 2 0 345.531 3.087 10 0 EGAERP C[C@H](C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001698700236 1406342994 /nfs/dbraw/zinc/34/29/94/1406342994.db2.gz RHQHVKJPISLJQV-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N(C)C(=O)OC(C)(C)C ZINC001322444138 1387187530 /nfs/dbraw/zinc/18/75/30/1387187530.db2.gz BDSKZAJYNNUMOZ-YYIAUSFCSA-N 2 0 339.524 3.094 10 0 EGAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001322511781 1387198959 /nfs/dbraw/zinc/19/89/59/1387198959.db2.gz LAIIBGBLURDZRK-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1C ZINC001322843617 1387245145 /nfs/dbraw/zinc/24/51/45/1387245145.db2.gz DMGHAVZWGSFVKR-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CN(CCC[NH2+]CC1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001322845909 1387245763 /nfs/dbraw/zinc/24/57/63/1387245763.db2.gz ZUDWRHJFPBGCJS-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCC1CCCCC1 ZINC001329516134 1389138940 /nfs/dbraw/zinc/13/89/40/1389138940.db2.gz QPAKJEAJADSIFH-SCTDSRPQSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[NH2+]CCC(C)(C)C ZINC001329741104 1389214755 /nfs/dbraw/zinc/21/47/55/1389214755.db2.gz GSFOPXCCJGQWNO-ZACQAIPSSA-N 2 0 348.535 3.412 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001698719133 1406363916 /nfs/dbraw/zinc/36/39/16/1406363916.db2.gz GKECJMCVBXUFOH-HXUWFJFHSA-N 2 0 345.531 3.169 10 0 EGAERP CC1CC[NH+](CC(=O)NC2(C[NH2+]CC3CCCC3)CCCCC2)CC1 ZINC001329861573 1389239133 /nfs/dbraw/zinc/23/91/33/1389239133.db2.gz SFRVLLRZONDAFQ-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001698730214 1406379930 /nfs/dbraw/zinc/37/99/30/1406379930.db2.gz NCFKKEXMGABGBW-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C)CC2 ZINC001698735790 1406386238 /nfs/dbraw/zinc/38/62/38/1406386238.db2.gz OOZLSKYBFIPGFH-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](CCC[NH2+]CCC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001330959895 1389577082 /nfs/dbraw/zinc/57/70/82/1389577082.db2.gz AWAVPIHONJBLPA-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001331073932 1389619656 /nfs/dbraw/zinc/61/96/56/1389619656.db2.gz FAIDYOKYHMRAAH-YJJPMGAVSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[NH2+]CCC[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)c1ccccc1 ZINC001331178031 1389644882 /nfs/dbraw/zinc/64/48/82/1389644882.db2.gz ZNHDTWWGZRWBGT-CTNGQTDRSA-N 2 0 343.515 3.110 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001331900484 1389903021 /nfs/dbraw/zinc/90/30/21/1389903021.db2.gz BLMQGWTVOFTWED-QAPCUYQASA-N 2 0 328.460 3.026 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001331943782 1389921210 /nfs/dbraw/zinc/92/12/10/1389921210.db2.gz KUSWBPHYGHLDEX-FXAWDEMLSA-N 2 0 345.531 3.377 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332011219 1389945052 /nfs/dbraw/zinc/94/50/52/1389945052.db2.gz ZIZCGTCKHSVIDE-ZBFHGGJFSA-N 2 0 328.460 3.026 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001332033117 1389953563 /nfs/dbraw/zinc/95/35/63/1389953563.db2.gz SZVQLRAXLKIRRJ-WAQVGJNASA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001332110675 1389989368 /nfs/dbraw/zinc/98/93/68/1389989368.db2.gz KBIRDUHBNIZFQZ-LQWHRVPQSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001332117439 1389994420 /nfs/dbraw/zinc/99/44/20/1389994420.db2.gz MDESPCDINABIQI-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+]([C@H](C)c1ccccc1)CC2 ZINC001332117449 1389994910 /nfs/dbraw/zinc/99/49/10/1389994910.db2.gz MHWZXQZDWONIPC-LMNJBCLMSA-N 2 0 343.515 3.201 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001332145756 1390006688 /nfs/dbraw/zinc/00/66/88/1390006688.db2.gz KHNWORFXMSULGO-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001332322213 1390086633 /nfs/dbraw/zinc/08/66/33/1390086633.db2.gz LKUHSHVDIAUGQS-YHTLKTDXSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412084 1390109373 /nfs/dbraw/zinc/10/93/73/1390109373.db2.gz ASVCTEXNTRUPLQ-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCCC2CCC2)CC1)[NH+](C)C ZINC001332959880 1390223956 /nfs/dbraw/zinc/22/39/56/1390223956.db2.gz IBERAOBOWNWBDX-APWZRJJASA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)C[C@@H]1CN(c2cc3ccccc3c(Cl)n2)C[C@H]1C[NH+](C)C ZINC001348547037 1391235639 /nfs/dbraw/zinc/23/56/39/1391235639.db2.gz JVKJHLVAYFCTLG-HZPDHXFCSA-N 2 0 346.906 3.064 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@H](C)C2)o1 ZINC001349383960 1391325425 /nfs/dbraw/zinc/32/54/25/1391325425.db2.gz PHALNQFLERQZRB-MRXNPFEDSA-N 2 0 347.503 3.210 10 0 EGAERP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])c2ccccc2)CC1 ZINC001349473334 1391333821 /nfs/dbraw/zinc/33/38/21/1391333821.db2.gz MGXRXXASLLFEJT-VAMGGRTRSA-N 2 0 343.515 3.093 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001698828216 1406521728 /nfs/dbraw/zinc/52/17/28/1406521728.db2.gz MCMOLKCZDBIHME-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001479686790 1392319205 /nfs/dbraw/zinc/31/92/05/1392319205.db2.gz TYYKPTYLNLWZOX-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001479709866 1392331749 /nfs/dbraw/zinc/33/17/49/1392331749.db2.gz BRPBGRNJJVWIBL-SQNIBIBYSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCCC1CCCC1 ZINC001479708384 1392332159 /nfs/dbraw/zinc/33/21/59/1392332159.db2.gz LNADAXVKIMOFRP-HOJAQTOUSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCC2CC2)C1 ZINC001479739249 1392352870 /nfs/dbraw/zinc/35/28/70/1392352870.db2.gz VTZWSSXFINHOOE-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)C)CC(C)(C)C1)[NH+](C)C ZINC001479744639 1392358905 /nfs/dbraw/zinc/35/89/05/1392358905.db2.gz GTHXOBGCLUMLLM-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479834946 1392420661 /nfs/dbraw/zinc/42/06/61/1392420661.db2.gz SWSQEQHTCHBSSJ-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CC1=CCCCC1 ZINC001479851301 1392431711 /nfs/dbraw/zinc/43/17/11/1392431711.db2.gz UKXWDXVSGJTKFR-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479905487 1392473155 /nfs/dbraw/zinc/47/31/55/1392473155.db2.gz KWBBISGJRGCRNX-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479911088 1392478312 /nfs/dbraw/zinc/47/83/12/1392478312.db2.gz CXQVDORUUABAFF-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479980887 1392514118 /nfs/dbraw/zinc/51/41/18/1392514118.db2.gz KLEOIPUSYUWPLG-WYNBNGFRSA-N 2 0 347.547 3.186 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001479987129 1392519230 /nfs/dbraw/zinc/51/92/30/1392519230.db2.gz CLNKRVZWDBTSOR-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP CCCN(C(=O)C[N@H+](C)C(C)C)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001479996228 1392528047 /nfs/dbraw/zinc/52/80/47/1392528047.db2.gz AXALROKANKWFAI-QGZVFWFLSA-N 2 0 325.541 3.076 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001480083013 1392572473 /nfs/dbraw/zinc/57/24/73/1392572473.db2.gz YGRHHPFZYNRFOC-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001480121876 1392594671 /nfs/dbraw/zinc/59/46/71/1392594671.db2.gz CMFOOMHOADEEQL-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001480182785 1392614260 /nfs/dbraw/zinc/61/42/60/1392614260.db2.gz YOTPGUVBPNZRQK-XVLXNVKGSA-N 2 0 335.536 3.019 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001480183291 1392614904 /nfs/dbraw/zinc/61/49/04/1392614904.db2.gz OJQIFDOGEUYMQJ-IHWFROFDSA-N 2 0 347.547 3.329 10 0 EGAERP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480332980 1392692274 /nfs/dbraw/zinc/69/22/74/1392692274.db2.gz VRPCKLNKGXZKRM-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1)[NH+](C)C ZINC001480350882 1392699577 /nfs/dbraw/zinc/69/95/77/1392699577.db2.gz FDUNQWNTGJLDJY-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001480352079 1392701005 /nfs/dbraw/zinc/70/10/05/1392701005.db2.gz QJWJCIAVCNKNOG-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001480367738 1392710572 /nfs/dbraw/zinc/71/05/72/1392710572.db2.gz LVLMFDMJVZYLGS-RTBURBONSA-N 2 0 349.494 3.081 10 0 EGAERP CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001480413077 1392748482 /nfs/dbraw/zinc/74/84/82/1392748482.db2.gz RNQVYPHGTJGMMP-MHJFOBGBSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696316 1392860262 /nfs/dbraw/zinc/86/02/62/1392860262.db2.gz HOFHHMDKGNJOHE-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001480786029 1392932576 /nfs/dbraw/zinc/93/25/76/1392932576.db2.gz KMUKKZMFTFXMEW-IEBWSBKVSA-N 2 0 335.536 3.093 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480826206 1392964629 /nfs/dbraw/zinc/96/46/29/1392964629.db2.gz OGSGSZAICBCBIJ-WFRZBGSESA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CCC(C)CC1 ZINC001480974187 1393059375 /nfs/dbraw/zinc/05/93/75/1393059375.db2.gz GZXHVRKOIROVAO-CTWPCTMYSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001481045905 1393105305 /nfs/dbraw/zinc/10/53/05/1393105305.db2.gz DGMGRSPMDFRAML-FUHWJXTLSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001481046554 1393105310 /nfs/dbraw/zinc/10/53/10/1393105310.db2.gz LAJVMADWBNJGCM-KRWDZBQOSA-N 2 0 342.487 3.417 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001481173616 1393141591 /nfs/dbraw/zinc/14/15/91/1393141591.db2.gz KOMJERBUWYXNKC-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)CCC[NH+]1CCCCC1 ZINC001481317403 1393162705 /nfs/dbraw/zinc/16/27/05/1393162705.db2.gz MPJUCRIEPHCAFE-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001698890393 1406622955 /nfs/dbraw/zinc/62/29/55/1406622955.db2.gz DIUDLXTVZFCHOH-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698922037 1406657449 /nfs/dbraw/zinc/65/74/49/1406657449.db2.gz ZLEZZIZFEZSPFH-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CCCCC2)C1 ZINC001698924214 1406659777 /nfs/dbraw/zinc/65/97/77/1406659777.db2.gz YNVTVKFZRVGPFE-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CCC1=CCCCC1)C1CC1 ZINC001490377974 1394206299 /nfs/dbraw/zinc/20/62/99/1394206299.db2.gz SMJYHKRBCJKXKF-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1c(C(=O)NCCC[N@H+](CC2CCC2)C2CC2)ccc2c[nH+]cn21 ZINC001490378345 1394206873 /nfs/dbraw/zinc/20/68/73/1394206873.db2.gz YGEHICCJHWNZHI-UHFFFAOYSA-N 2 0 340.471 3.027 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374299 1394215933 /nfs/dbraw/zinc/21/59/33/1394215933.db2.gz LIUHPXCYLMGXQP-UXHICEINSA-N 2 0 345.531 3.210 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001490425434 1394223892 /nfs/dbraw/zinc/22/38/92/1394223892.db2.gz UNHKEUNOJWPOTQ-UHFFFAOYSA-N 2 0 335.536 3.140 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481411616 1394270081 /nfs/dbraw/zinc/27/00/81/1394270081.db2.gz GHOBQWOVTWYWHL-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001698949707 1406689420 /nfs/dbraw/zinc/68/94/20/1406689420.db2.gz JLGIDTQXKRVLEY-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CC1CCCC1)C[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481509853 1394357713 /nfs/dbraw/zinc/35/77/13/1394357713.db2.gz QQRDOJNHGSDPOH-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001481516249 1394365380 /nfs/dbraw/zinc/36/53/80/1394365380.db2.gz RVOHFLVBYJSFKR-WOJBJXKFSA-N 2 0 347.547 3.140 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001491125639 1394442439 /nfs/dbraw/zinc/44/24/39/1394442439.db2.gz NIATXXKNXDHFMU-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153588 1394452555 /nfs/dbraw/zinc/45/25/55/1394452555.db2.gz MHXFNLQBKGIFGW-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001481696731 1394457786 /nfs/dbraw/zinc/45/77/86/1394457786.db2.gz QZECOAOBNCNWGR-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2CCC([NH2+]CCC(C)C)CC2)C1 ZINC001491360592 1394512134 /nfs/dbraw/zinc/51/21/34/1394512134.db2.gz GWUDWUXVWWXFKI-LMDPOFIKSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001481777184 1394522092 /nfs/dbraw/zinc/52/20/92/1394522092.db2.gz FSTPQISLNNOZKL-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481973897 1394636522 /nfs/dbraw/zinc/63/65/22/1394636522.db2.gz HANSTXYTGSTXRS-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001482008299 1394668177 /nfs/dbraw/zinc/66/81/77/1394668177.db2.gz NRRMZMCUJVPVMF-SFHVURJKSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001482020405 1394676783 /nfs/dbraw/zinc/67/67/83/1394676783.db2.gz DPTUZLNKWWLDLS-ULQDDVLXSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+][C@H](C)c2ccccc2)CC1 ZINC001482027689 1394686900 /nfs/dbraw/zinc/68/69/00/1394686900.db2.gz LPLADSRYSPTTIM-BHIYHBOVSA-N 2 0 331.504 3.105 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001482294207 1394872724 /nfs/dbraw/zinc/87/27/24/1394872724.db2.gz YWZBOCSTWJTNSF-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482325395 1394895408 /nfs/dbraw/zinc/89/54/08/1394895408.db2.gz WTHCGGAKGPOWEB-LPHOPBHVSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CC2=CCCCC2)CC1 ZINC001482347737 1394912888 /nfs/dbraw/zinc/91/28/88/1394912888.db2.gz PPOMLEZRXKBWQF-QGZVFWFLSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001482385064 1394945015 /nfs/dbraw/zinc/94/50/15/1394945015.db2.gz YVSHIYNPIHYYHT-SFHVURJKSA-N 2 0 337.552 3.338 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001482395520 1394956684 /nfs/dbraw/zinc/95/66/84/1394956684.db2.gz LPRFDZIDGGMEBZ-FQEVSTJZSA-N 2 0 349.563 3.339 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001482405719 1394968974 /nfs/dbraw/zinc/96/89/74/1394968974.db2.gz HNRCITHESWVLSN-RBUKOAKNSA-N 2 0 335.536 3.068 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001482469810 1395024247 /nfs/dbraw/zinc/02/42/47/1395024247.db2.gz FGYQHNGXKAVEHN-OALUTQOASA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001482501206 1395053748 /nfs/dbraw/zinc/05/37/48/1395053748.db2.gz MMJYQKGENCOXEG-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCCCC2)C(C)C)CC[N@@H+]1C ZINC001482533333 1395074879 /nfs/dbraw/zinc/07/48/79/1395074879.db2.gz XZWDOQSIEKIGIA-IPMKNSEASA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001484021826 1395194227 /nfs/dbraw/zinc/19/42/27/1395194227.db2.gz GILXSYDQHZCQAB-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484102169 1395251236 /nfs/dbraw/zinc/25/12/36/1395251236.db2.gz WRYBTLQNAIIRPE-MGPUTAFESA-N 2 0 342.487 3.131 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001484118969 1395261822 /nfs/dbraw/zinc/26/18/22/1395261822.db2.gz IMCWAKUOMVLDEC-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001484463939 1395399128 /nfs/dbraw/zinc/39/91/28/1395399128.db2.gz LDWRJGJHYOONJV-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)[C@@H]2C1 ZINC001484473182 1395408065 /nfs/dbraw/zinc/40/80/65/1395408065.db2.gz YYBHNUGCPDTXRP-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001484728501 1395491381 /nfs/dbraw/zinc/49/13/81/1395491381.db2.gz QCESXRDMOMRZFM-RTLBZRNLSA-N 2 0 335.536 3.189 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484810959 1395546468 /nfs/dbraw/zinc/54/64/68/1395546468.db2.gz RBKZRXXHNRXJCY-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001484819397 1395553317 /nfs/dbraw/zinc/55/33/17/1395553317.db2.gz OONIRBNNXXTFRC-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484819642 1395553643 /nfs/dbraw/zinc/55/36/43/1395553643.db2.gz SHFIYQLVHHVYMN-DKFQHHCZSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001484828393 1395566295 /nfs/dbraw/zinc/56/62/95/1395566295.db2.gz BIAAOQRQGFNSFQ-ICSRJNTNSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484832815 1395570053 /nfs/dbraw/zinc/57/00/53/1395570053.db2.gz WDTFJHORXDVGMY-CQQBXOTJSA-N 2 0 349.563 3.389 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001485194317 1395699152 /nfs/dbraw/zinc/69/91/52/1395699152.db2.gz OLWMAAXUSSFMIR-JKSUJKDBSA-N 2 0 327.557 3.273 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001485342019 1395813058 /nfs/dbraw/zinc/81/30/58/1395813058.db2.gz NLGVGLJLWCCHNK-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCC1 ZINC001485342369 1395816603 /nfs/dbraw/zinc/81/66/03/1395816603.db2.gz RRFDSICMRNCNBJ-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001485433851 1395901013 /nfs/dbraw/zinc/90/10/13/1395901013.db2.gz IGNRYULYAMPCBT-LJQANCHMSA-N 2 0 349.563 3.291 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001698997886 1406798370 /nfs/dbraw/zinc/79/83/70/1406798370.db2.gz CFRJUEKTJQGODH-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)(C)CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485583441 1396061072 /nfs/dbraw/zinc/06/10/72/1396061072.db2.gz AXXOPNHVIQVZNP-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)CCC[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001485729039 1396121183 /nfs/dbraw/zinc/12/11/83/1396121183.db2.gz GWFFKPOOBXYYMH-HNNXBMFYSA-N 2 0 330.476 3.177 10 0 EGAERP CCC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001485759524 1396135270 /nfs/dbraw/zinc/13/52/70/1396135270.db2.gz YISSUICBSCVKJE-VJIACCKLSA-N 2 0 337.552 3.242 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@H]1C ZINC001486126999 1396178906 /nfs/dbraw/zinc/17/89/06/1396178906.db2.gz FPJPTSAFDXANAF-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001486154011 1396180217 /nfs/dbraw/zinc/18/02/17/1396180217.db2.gz JPQNFBZSEUKYBG-QKNQBKEWSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001486210235 1396182873 /nfs/dbraw/zinc/18/28/73/1396182873.db2.gz JAZDMBVIHLUSND-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001486235070 1396185992 /nfs/dbraw/zinc/18/59/92/1396185992.db2.gz RFRIOUXGBGPPNB-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@H](C(=O)NCc1ccc2c(c1)C[N@H+](C(C)C)C2)[NH+]1CCCC1 ZINC001502653614 1396214109 /nfs/dbraw/zinc/21/41/09/1396214109.db2.gz GRUMCQFURWVLKF-HXUWFJFHSA-N 2 0 343.515 3.147 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CCCC1CCC1)CC2 ZINC001503763761 1396268146 /nfs/dbraw/zinc/26/81/46/1396268146.db2.gz HCHWYNVGLDCFRD-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CC1CCCCC1)CC2 ZINC001503764563 1396268703 /nfs/dbraw/zinc/26/87/03/1396268703.db2.gz SFCVWSMBXYQHHR-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492156656 1396309444 /nfs/dbraw/zinc/30/94/44/1396309444.db2.gz IBKRDQLQABRETL-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001496078441 1396596156 /nfs/dbraw/zinc/59/61/56/1396596156.db2.gz DVVLIZSWOGWSAX-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001496084262 1396598340 /nfs/dbraw/zinc/59/83/40/1396598340.db2.gz WARGGFORGQSBAN-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001496083060 1396598348 /nfs/dbraw/zinc/59/83/48/1396598348.db2.gz UHUSGAIWUUGDHR-IIMPKJCBSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496415917 1396699532 /nfs/dbraw/zinc/69/95/32/1396699532.db2.gz REAGWVOQFQHVNC-UVRCQCPESA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]([NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001496428351 1396704770 /nfs/dbraw/zinc/70/47/70/1396704770.db2.gz NBADCEJCAZFJTL-ICSRJNTNSA-N 2 0 343.515 3.204 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1cccc2ccccc21 ZINC001497676350 1396780084 /nfs/dbraw/zinc/78/00/84/1396780084.db2.gz YKWWOANSHKFBHW-TUYSUELWSA-N 2 0 339.483 3.115 10 0 EGAERP CCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689054711 1396854089 /nfs/dbraw/zinc/85/40/89/1396854089.db2.gz AGRFGZRIBFBKNK-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001689098268 1396904947 /nfs/dbraw/zinc/90/49/47/1396904947.db2.gz GQTLMQHNCHAIER-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001699023494 1406858647 /nfs/dbraw/zinc/85/86/47/1406858647.db2.gz UHLTYAYXENEVNC-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001699023496 1406858742 /nfs/dbraw/zinc/85/87/42/1406858742.db2.gz UHLTYAYXENEVNC-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001689271491 1397005480 /nfs/dbraw/zinc/00/54/80/1397005480.db2.gz LAOJVYKLRDNCFI-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001689271878 1397008092 /nfs/dbraw/zinc/00/80/92/1397008092.db2.gz SJBGJHPKTYBHSE-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1)c1ccccc1 ZINC001689272193 1397008310 /nfs/dbraw/zinc/00/83/10/1397008310.db2.gz XRUQJBRKEGNXDU-MOPGFXCFSA-N 2 0 349.494 3.010 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001689309002 1397029762 /nfs/dbraw/zinc/02/97/62/1397029762.db2.gz LNKJBLDAVJZVJK-YQJUVHNHSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2c(C)cc(C)cc2C)[C@@H]1C ZINC001689329499 1397039689 /nfs/dbraw/zinc/03/96/89/1397039689.db2.gz DFGXFPUPRCNODT-QUCCMNQESA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001689365842 1403706108 /nfs/dbraw/zinc/70/61/08/1403706108.db2.gz PPAHNLKLMFLZDU-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001689862086 1404173662 /nfs/dbraw/zinc/17/36/62/1404173662.db2.gz MHZBYFNVWPFQIS-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001690030778 1404269840 /nfs/dbraw/zinc/26/98/40/1404269840.db2.gz JHZTXFHBTHJXTH-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001690046586 1404281186 /nfs/dbraw/zinc/28/11/86/1404281186.db2.gz MFVUHAXULVGGSJ-OBNUAKFSSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001690189610 1404391582 /nfs/dbraw/zinc/39/15/82/1404391582.db2.gz XECVCOKCOSUISN-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1C/C=C\c1ccccc1)[NH+](C)C ZINC001690448830 1404573207 /nfs/dbraw/zinc/57/32/07/1404573207.db2.gz RKKWYJRUFUBCJV-WFKXUCKUSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455712 1404584305 /nfs/dbraw/zinc/58/43/05/1404584305.db2.gz WTCHAYDNBCNUNI-JTHGQSKGSA-N 2 0 337.552 3.291 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001690484333 1404601129 /nfs/dbraw/zinc/60/11/29/1404601129.db2.gz OVMJOEKQMBWHQQ-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](F)CC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001690546157 1404629091 /nfs/dbraw/zinc/62/90/91/1404629091.db2.gz KTVLCOUWNNLWQS-WWDZGPRUSA-N 2 0 341.515 3.018 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001690610391 1404651504 /nfs/dbraw/zinc/65/15/04/1404651504.db2.gz MCFOCGPQJCFJFX-QFBILLFUSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001690650735 1404682136 /nfs/dbraw/zinc/68/21/36/1404682136.db2.gz QNPUUBUTZJQXLI-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001690735467 1404702783 /nfs/dbraw/zinc/70/27/83/1404702783.db2.gz ZNSRQKIFABWCEQ-ROUUACIJSA-N 2 0 345.531 3.261 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757183 1404711220 /nfs/dbraw/zinc/71/12/20/1404711220.db2.gz CHQNBZIIRXOVRT-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001690780753 1404728827 /nfs/dbraw/zinc/72/88/27/1404728827.db2.gz LIRLZEZNZUQTJZ-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001690820155 1404755874 /nfs/dbraw/zinc/75/58/74/1404755874.db2.gz BOLAGSPWPTWKFU-MOPGFXCFSA-N 2 0 337.552 3.362 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCC1 ZINC001690860334 1404781858 /nfs/dbraw/zinc/78/18/58/1404781858.db2.gz XGKLGZXPYWBJFE-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCCC1)C12CCC[NH+]1CCC2 ZINC001690901515 1404808985 /nfs/dbraw/zinc/80/89/85/1404808985.db2.gz IFDANBMCYZCQGC-LJQANCHMSA-N 2 0 347.547 3.166 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccsc1 ZINC001690901238 1404809094 /nfs/dbraw/zinc/80/90/94/1404809094.db2.gz FCIATQOBOFDQRN-QZTJIDSGSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC/C=C\c1ccccc1 ZINC001690998576 1404914848 /nfs/dbraw/zinc/91/48/48/1404914848.db2.gz NDBKOYDOTYXWRI-OFIWPEFUSA-N 2 0 343.515 3.011 10 0 EGAERP CC[C@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001691037097 1404945092 /nfs/dbraw/zinc/94/50/92/1404945092.db2.gz CBOARUPBQHFPJP-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccccc1C(C)C)[NH+](C)C ZINC001691085534 1405019548 /nfs/dbraw/zinc/01/95/48/1405019548.db2.gz GGIFIOCFZIVDHK-UYAOXDASSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCC1)[NH+]1CCCC1 ZINC001691091859 1405025788 /nfs/dbraw/zinc/02/57/88/1405025788.db2.gz HYQPHDUPTRWREZ-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691102496 1405041570 /nfs/dbraw/zinc/04/15/70/1405041570.db2.gz IVZIZSKKFNSIPN-RRFGBZISSA-N 2 0 343.515 3.299 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105366 1405044518 /nfs/dbraw/zinc/04/45/18/1405044518.db2.gz AULKZXHVYASLRS-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001691105837 1405045599 /nfs/dbraw/zinc/04/55/99/1405045599.db2.gz LHMYRZORECZVNQ-MOPGFXCFSA-N 2 0 345.531 3.287 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001691160363 1405096585 /nfs/dbraw/zinc/09/65/85/1405096585.db2.gz XHXJNIPBOHDEFZ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001691360112 1405212967 /nfs/dbraw/zinc/21/29/67/1405212967.db2.gz OOXDDRCEKAIXIO-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001691376904 1405219125 /nfs/dbraw/zinc/21/91/25/1405219125.db2.gz JOUSOSQZYUNKKY-QUCCMNQESA-N 2 0 349.563 3.290 10 0 EGAERP CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C1 ZINC001691442001 1405271855 /nfs/dbraw/zinc/27/18/55/1405271855.db2.gz SOMNNJZVGLOHNI-VAMGGRTRSA-N 2 0 345.531 3.101 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001691470503 1405288505 /nfs/dbraw/zinc/28/85/05/1405288505.db2.gz KHSQDZOLZRDGJN-RDGPPVDQSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001691475364 1405292492 /nfs/dbraw/zinc/29/24/92/1405292492.db2.gz OQWOHLIZFKOCGH-WMYYGJRPSA-N 2 0 335.536 3.185 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001691485934 1405296632 /nfs/dbraw/zinc/29/66/32/1405296632.db2.gz ZOCFIIDABVABKF-OTWHNJEPSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001691534281 1405327354 /nfs/dbraw/zinc/32/73/54/1405327354.db2.gz YHUCTRHUPDPENR-UAFMIMERSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)c(C)c1 ZINC001691607951 1405354024 /nfs/dbraw/zinc/35/40/24/1405354024.db2.gz GDVNIMPQHOADHN-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001691622970 1405362562 /nfs/dbraw/zinc/36/25/62/1405362562.db2.gz GPJRDESZVFJBAH-APWZRJJASA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001691635951 1405371846 /nfs/dbraw/zinc/37/18/46/1405371846.db2.gz BCCQRLCSAUAYIO-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691739134 1405461107 /nfs/dbraw/zinc/46/11/07/1405461107.db2.gz WUHXVZWTVCZGPG-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001691760315 1405476403 /nfs/dbraw/zinc/47/64/03/1405476403.db2.gz ROUFKWUVLMVWCI-OGNIYVCYSA-N 2 0 343.943 3.076 10 0 EGAERP CC(C)[N@@H+](C/C=C/Cl)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691760313 1405476513 /nfs/dbraw/zinc/47/65/13/1405476513.db2.gz ROUFKWUVLMVWCI-DTIZEGCPSA-N 2 0 343.943 3.076 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001691786403 1405495012 /nfs/dbraw/zinc/49/50/12/1405495012.db2.gz YWAQWONINXIWKA-LWYYNNOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001691786657 1405495905 /nfs/dbraw/zinc/49/59/05/1405495905.db2.gz DWSDOGZFNMGNSY-IBGZPJMESA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)CCC[NH2+][C@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001691793402 1405503190 /nfs/dbraw/zinc/50/31/90/1405503190.db2.gz WIRUOEYBJFOMMN-HXUWFJFHSA-N 2 0 345.531 3.212 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001691812817 1405525382 /nfs/dbraw/zinc/52/53/82/1405525382.db2.gz DEQYSNUFJXHRAR-ZEVQVBBLSA-N 2 0 349.563 3.434 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001691853550 1405570153 /nfs/dbraw/zinc/57/01/53/1405570153.db2.gz YTMLCFSPPPLQMH-RTBURBONSA-N 2 0 335.536 3.140 10 0 EGAERP CC1CC(C[NH2+]CCC[C@@H]2[C@H](C)CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001691900560 1405624109 /nfs/dbraw/zinc/62/41/09/1405624109.db2.gz JAHBHVYQGDCECN-CQJJOKNBSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001692081378 1405764268 /nfs/dbraw/zinc/76/42/68/1405764268.db2.gz BLYFJYLKPPXCAO-QYZOEREBSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001692232737 1405860220 /nfs/dbraw/zinc/86/02/20/1405860220.db2.gz TXRKWVWIXDAMRT-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC(C)C)[NH+](CC)CC ZINC001692257490 1405884739 /nfs/dbraw/zinc/88/47/39/1405884739.db2.gz GDVVJKYYOPOKQI-ROUUACIJSA-N 2 0 325.541 3.076 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001692280148 1405914821 /nfs/dbraw/zinc/91/48/21/1405914821.db2.gz PWPNZKQLTSGIML-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692330033 1405948592 /nfs/dbraw/zinc/94/85/92/1405948592.db2.gz SRNOGFNUFTXLTE-BGEOSOQGSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001692329731 1405948682 /nfs/dbraw/zinc/94/86/82/1405948682.db2.gz MFRMSMCXMBKPLB-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC(C)(C)C ZINC001692368925 1405979096 /nfs/dbraw/zinc/97/90/96/1405979096.db2.gz MHOFHDWKXMCUIT-GBESFXJTSA-N 2 0 349.563 3.218 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001698578419 1406188696 /nfs/dbraw/zinc/18/86/96/1406188696.db2.gz UKDZARVRYWRMBA-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001698581904 1406193814 /nfs/dbraw/zinc/19/38/14/1406193814.db2.gz PBGVWCLFFYPWLH-LIPLCGJLSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001698602106 1406228349 /nfs/dbraw/zinc/22/83/49/1406228349.db2.gz ZLMGQTYLHJOJJB-OAHLLOKOSA-N 2 0 339.549 3.344 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCC1 ZINC001698604341 1406230320 /nfs/dbraw/zinc/23/03/20/1406230320.db2.gz NMLSCQROUPTUCR-QGZVFWFLSA-N 2 0 337.552 3.314 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001732036559 1428257898 /nfs/dbraw/zinc/25/78/98/1428257898.db2.gz GRWASPRVFRPXHN-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001733599159 1429798881 /nfs/dbraw/zinc/79/88/81/1429798881.db2.gz MXJBZDIZZRMMIY-QZTJIDSGSA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732050133 1428288552 /nfs/dbraw/zinc/28/85/52/1428288552.db2.gz QFDKBFUZAWUENS-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001732058202 1428302889 /nfs/dbraw/zinc/30/28/89/1428302889.db2.gz ABWNFJWOJJESPM-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001732076234 1428327484 /nfs/dbraw/zinc/32/74/84/1428327484.db2.gz NIQFHAJTMMWQCM-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001732085932 1428345978 /nfs/dbraw/zinc/34/59/78/1428345978.db2.gz BZSMMOBZMYVMHQ-HCZHMGAMSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCC(C)(C)C ZINC001732205150 1428454929 /nfs/dbraw/zinc/45/49/29/1428454929.db2.gz HTSBMQKQTYBROI-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CCC(CC)C[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732213332 1428461335 /nfs/dbraw/zinc/46/13/35/1428461335.db2.gz YBWZDUSIBMHMNE-APWZRJJASA-N 2 0 343.531 3.120 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC1CCCCCC1 ZINC001732219738 1428467921 /nfs/dbraw/zinc/46/79/21/1428467921.db2.gz AWHIGNIUOQUVOY-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001732231157 1428478218 /nfs/dbraw/zinc/47/82/18/1428478218.db2.gz RCGYYUNXLLJJTP-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]Cc2ccc(C)cc2)CC1 ZINC001732302182 1428520110 /nfs/dbraw/zinc/52/01/10/1428520110.db2.gz VHASZSRXFWVKJR-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCCC1)C1CCC1 ZINC001732471793 1428600669 /nfs/dbraw/zinc/60/06/69/1428600669.db2.gz CBEVSSJCTXRRAK-FQEVSTJZSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001732474769 1428601396 /nfs/dbraw/zinc/60/13/96/1428601396.db2.gz WAHFMFZSOXYFKH-PMACEKPBSA-N 2 0 349.563 3.029 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001732477659 1428603883 /nfs/dbraw/zinc/60/38/83/1428603883.db2.gz PRVYQSDXHMRXAZ-VQTJNVASSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1cccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001732495996 1428617884 /nfs/dbraw/zinc/61/78/84/1428617884.db2.gz PIACZIVWLNBRQB-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001732496128 1428617992 /nfs/dbraw/zinc/61/79/92/1428617992.db2.gz QIYSKTLAGBFZER-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001732499715 1428621284 /nfs/dbraw/zinc/62/12/84/1428621284.db2.gz NMZZGTYBYSDLLJ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001732519751 1428638322 /nfs/dbraw/zinc/63/83/22/1428638322.db2.gz KDPPWPQPQWBDRZ-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001699101851 1412510610 /nfs/dbraw/zinc/51/06/10/1412510610.db2.gz YFGDDVKFLUHART-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699101459 1412510753 /nfs/dbraw/zinc/51/07/53/1412510753.db2.gz WUOIDNDEIUKAES-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699258616 1412601804 /nfs/dbraw/zinc/60/18/04/1412601804.db2.gz JCYZKHAOTXZKFQ-OVKVCFKUSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001699258632 1412601965 /nfs/dbraw/zinc/60/19/65/1412601965.db2.gz XQGLYTKEFNSTPA-LIXSYLKWSA-N 2 0 333.520 3.012 10 0 EGAERP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699397436 1412711549 /nfs/dbraw/zinc/71/15/49/1412711549.db2.gz QBSMNQLYEGBIQH-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699414474 1412728614 /nfs/dbraw/zinc/72/86/14/1412728614.db2.gz XVXDHZFYGIQRBL-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP C[C@H](C[N@H+](C)CCCC(C)(C)C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001699456525 1412800730 /nfs/dbraw/zinc/80/07/30/1412800730.db2.gz XTRWSQWPMJLGNU-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001699488970 1412885894 /nfs/dbraw/zinc/88/58/94/1412885894.db2.gz UARYPUQKKHWVBI-PMACEKPBSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1=CCCCC1 ZINC001699518804 1412902285 /nfs/dbraw/zinc/90/22/85/1412902285.db2.gz JZVVOYBQMNEOPP-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCCC2)CC1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001699653498 1413035606 /nfs/dbraw/zinc/03/56/06/1413035606.db2.gz JVBGHTZWGIMXGJ-IAGOWNOFSA-N 2 0 344.503 3.112 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001699663163 1413047281 /nfs/dbraw/zinc/04/72/81/1413047281.db2.gz KSNCGOWOJPZOIM-ACBHZAAOSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC(C)C ZINC001699692379 1413098008 /nfs/dbraw/zinc/09/80/08/1413098008.db2.gz JGHXTJCDVREDOD-KDURUIRLSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001699738979 1413150220 /nfs/dbraw/zinc/15/02/20/1413150220.db2.gz SFBDYMJHMXRUQB-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC1(NC(=O)CC[NH+]2CCCCC2)CC[NH+](CC2CCCC2)CC1 ZINC001699774099 1413182274 /nfs/dbraw/zinc/18/22/74/1413182274.db2.gz HNOACPPFLNPMOX-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2c(C)cc(C)cc2C)C1 ZINC001699827977 1413256550 /nfs/dbraw/zinc/25/65/50/1413256550.db2.gz VNHPVJZZYASYDS-OAQYLSRUSA-N 2 0 345.531 3.034 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001699978507 1413423183 /nfs/dbraw/zinc/42/31/83/1413423183.db2.gz DIHOMGHYJTTZBJ-KZNAEPCWSA-N 2 0 346.519 3.067 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC001700017564 1413464238 /nfs/dbraw/zinc/46/42/38/1413464238.db2.gz PHKYQNRTVPITCH-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2C[N@H+](CCC(C)(C)C)C[C@H]21 ZINC001700020259 1413467492 /nfs/dbraw/zinc/46/74/92/1413467492.db2.gz MWUSLLPOMBTYMC-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001700020138 1413468058 /nfs/dbraw/zinc/46/80/58/1413468058.db2.gz LMFPKOGZNCGEGU-HSALFYBXSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001700142619 1413564761 /nfs/dbraw/zinc/56/47/61/1413564761.db2.gz BPHNUIYGKMXRKG-CALCHBBNSA-N 2 0 337.552 3.314 10 0 EGAERP CCc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001700179028 1413589362 /nfs/dbraw/zinc/58/93/62/1413589362.db2.gz MWOIYEJTXYWBCM-WOJBJXKFSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)CC1 ZINC001700179208 1413590659 /nfs/dbraw/zinc/59/06/59/1413590659.db2.gz OJGSENFOUKGXBH-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001700226605 1413679909 /nfs/dbraw/zinc/67/99/09/1413679909.db2.gz JQVQCRVUBOWSEF-UXHICEINSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001700227698 1413683018 /nfs/dbraw/zinc/68/30/18/1413683018.db2.gz SNMVSAORJXFIBH-OLEQZPESSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001700230052 1413687391 /nfs/dbraw/zinc/68/73/91/1413687391.db2.gz ODGLLICOOJGIKG-FQEVSTJZSA-N 2 0 337.552 3.223 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001700229502 1413687511 /nfs/dbraw/zinc/68/75/11/1413687511.db2.gz KLTPHKUVPFAMNS-HXUWFJFHSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001700231074 1413688531 /nfs/dbraw/zinc/68/85/31/1413688531.db2.gz YCCWLTKBXYTCTN-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]CCCC3CCCC3)CC2)CCC1 ZINC001700281090 1413725887 /nfs/dbraw/zinc/72/58/87/1413725887.db2.gz JDBAEMCOAYEUOD-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001700283499 1413729758 /nfs/dbraw/zinc/72/97/58/1413729758.db2.gz FRALPSPIZZOUHI-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001700286410 1413733955 /nfs/dbraw/zinc/73/39/55/1413733955.db2.gz RSNPXWHLEYXXDH-KAGICYHLSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001700286412 1413733984 /nfs/dbraw/zinc/73/39/84/1413733984.db2.gz RSNPXWHLEYXXDH-MGBKSAOESA-N 2 0 349.563 3.434 10 0 EGAERP CC1(C)C[N@H+](CCC2CC2)CC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001700294529 1413753542 /nfs/dbraw/zinc/75/35/42/1413753542.db2.gz WOJTURBJZZMHPN-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1)C1CCC1 ZINC001700344458 1413830747 /nfs/dbraw/zinc/83/07/47/1413830747.db2.gz CHAXCHRWLOOLCQ-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CCC(C)(C)C ZINC001700361649 1413876221 /nfs/dbraw/zinc/87/62/21/1413876221.db2.gz AJBURXNZLQNUNF-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700434510 1413999636 /nfs/dbraw/zinc/99/96/36/1413999636.db2.gz LBZNPWWAVWHHRR-CTWPCTMYSA-N 2 0 337.552 3.265 10 0 EGAERP CCc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001700487623 1414136205 /nfs/dbraw/zinc/13/62/05/1414136205.db2.gz MJPZCJWGRQPDIA-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)=CC[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001700502562 1414150903 /nfs/dbraw/zinc/15/09/03/1414150903.db2.gz VFOYOCHCQQPYGH-GOSISDBHSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700512397 1414162012 /nfs/dbraw/zinc/16/20/12/1414162012.db2.gz QMOXNDJADQHCER-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP C[N@H+](CC(=O)NC1(C[NH2+]C/C=C/Cl)CCCCC1)CC(C)(C)C ZINC001700514403 1414165058 /nfs/dbraw/zinc/16/50/58/1414165058.db2.gz QTWSLNHVBVBHMA-DHZHZOJOSA-N 2 0 343.943 3.126 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700574044 1414247185 /nfs/dbraw/zinc/24/71/85/1414247185.db2.gz JAPBYJYRDSCTSH-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700574045 1414247244 /nfs/dbraw/zinc/24/72/44/1414247244.db2.gz JAPBYJYRDSCTSH-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2ccc(C)cc2)CC1(C)C ZINC001700578205 1414255408 /nfs/dbraw/zinc/25/54/08/1414255408.db2.gz NAGFROSMGMIQQR-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001700624602 1414296279 /nfs/dbraw/zinc/29/62/79/1414296279.db2.gz WTAGFBYSDDOUKI-YSIASYRMSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001700753166 1414423414 /nfs/dbraw/zinc/42/34/14/1414423414.db2.gz SWDHPZNIOYXPOX-MSOLQXFVSA-N 2 0 345.531 3.285 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700759579 1414431814 /nfs/dbraw/zinc/43/18/14/1414431814.db2.gz ILLIHMBOJWEMKK-HOTGVXAUSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001700778120 1414458927 /nfs/dbraw/zinc/45/89/27/1414458927.db2.gz VBBMVTKQVNSLHP-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001700824695 1414480908 /nfs/dbraw/zinc/48/09/08/1414480908.db2.gz XRFLCCDYYHFKPS-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700826049 1414481587 /nfs/dbraw/zinc/48/15/87/1414481587.db2.gz JHCLIPOVSNJNEY-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001700849435 1414497714 /nfs/dbraw/zinc/49/77/14/1414497714.db2.gz JDRQTQFLZXBEDF-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700853980 1414501512 /nfs/dbraw/zinc/50/15/12/1414501512.db2.gz OWFSUGDHPAQSPS-YLJYHZDGSA-N 2 0 345.531 3.377 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001700862681 1414511505 /nfs/dbraw/zinc/51/15/05/1414511505.db2.gz HZKCHKNIVVPCND-CTAFRAEOSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001700921449 1414573872 /nfs/dbraw/zinc/57/38/72/1414573872.db2.gz MQWGIGVMKOGNDL-SFHVURJKSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001700975534 1414609816 /nfs/dbraw/zinc/60/98/16/1414609816.db2.gz SBMDJGPQZWAUFE-UHFFFAOYSA-N 2 0 339.568 3.322 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC1=CCCCC1 ZINC001732593881 1428824013 /nfs/dbraw/zinc/82/40/13/1428824013.db2.gz DWGOXKMVKZBUKD-IBGZPJMESA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001701000816 1414653034 /nfs/dbraw/zinc/65/30/34/1414653034.db2.gz FPEYRCWIZDHSNO-ABHNRTSZSA-N 2 0 339.568 3.273 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001732618750 1428881556 /nfs/dbraw/zinc/88/15/56/1428881556.db2.gz CSTFDGHBVCEFRZ-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001732621837 1428884718 /nfs/dbraw/zinc/88/47/18/1428884718.db2.gz VDVSXTOVFSVLHF-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732743705 1428941588 /nfs/dbraw/zinc/94/15/88/1428941588.db2.gz XMUDCQDYYYIMJN-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP CCc1ccc(C[NH2+]CCN(CC)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001732811364 1428989217 /nfs/dbraw/zinc/98/92/17/1428989217.db2.gz AHIFKUTUUKYCRG-HDICACEKSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001732915386 1429045722 /nfs/dbraw/zinc/04/57/22/1429045722.db2.gz USOCUYFHQZDTRP-HMECNJMJSA-N 2 0 343.515 3.050 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001732983650 1429110744 /nfs/dbraw/zinc/11/07/44/1429110744.db2.gz LWWILIUQZCZDPD-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCC2CCCC2)CCC1)[NH+]1CCCC1 ZINC001733720612 1429941456 /nfs/dbraw/zinc/94/14/56/1429941456.db2.gz KFDMGFQBKLHXBV-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001733003298 1429124357 /nfs/dbraw/zinc/12/43/57/1429124357.db2.gz RARLGBJRIXLVPY-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001707062438 1417177995 /nfs/dbraw/zinc/17/79/95/1417177995.db2.gz NEMXOCRYJAMZLQ-NHQAVIFJSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001707070720 1417183302 /nfs/dbraw/zinc/18/33/02/1417183302.db2.gz DSSQGBXBWAJGPR-OKZBNKHCSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001707076957 1417187351 /nfs/dbraw/zinc/18/73/51/1417187351.db2.gz LIGIIRCEEGTGJA-GBESFXJTSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1CC[NH2+]CCC1CC1 ZINC001707147935 1417222583 /nfs/dbraw/zinc/22/25/83/1417222583.db2.gz YKTQMFISAHLOCC-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001707171664 1417228826 /nfs/dbraw/zinc/22/88/26/1417228826.db2.gz CGKJEWJYZDIOOO-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001707234775 1417256132 /nfs/dbraw/zinc/25/61/32/1417256132.db2.gz OFFRLOPFPBVLMM-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001707237858 1417258642 /nfs/dbraw/zinc/25/86/42/1417258642.db2.gz NEHSGUOQMKRTPQ-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C/C=C/c2ccccc2)[C@@H]1C ZINC001707263205 1417271742 /nfs/dbraw/zinc/27/17/42/1417271742.db2.gz HADJEWZPOCWSSW-YGQKLEOUSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]Cc1ccccc1F ZINC001707436365 1417341071 /nfs/dbraw/zinc/34/10/71/1417341071.db2.gz OVEHUZGDDSOBTC-VQIMIIECSA-N 2 0 349.494 3.025 10 0 EGAERP C[C@H]([NH2+]C/C=C/c1ccccc1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445691 1417349959 /nfs/dbraw/zinc/34/99/59/1417349959.db2.gz UQLKNMPYZYEVKI-DOQDTIJOSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C1CC1 ZINC001707479096 1417376576 /nfs/dbraw/zinc/37/65/76/1417376576.db2.gz USTNFMUYDCLEBF-SFHVURJKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1)C1CC1 ZINC001707479493 1417376850 /nfs/dbraw/zinc/37/68/50/1417376850.db2.gz YXQFYOFMXWVGMC-FQEVSTJZSA-N 2 0 343.515 3.030 10 0 EGAERP Cc1cc(C)cc(C[NH+](C)CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001712991777 1417543751 /nfs/dbraw/zinc/54/37/51/1417543751.db2.gz XDKVLDNAPOKXBK-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713038580 1417588550 /nfs/dbraw/zinc/58/85/50/1417588550.db2.gz JJDAXDKMKZYHLK-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CCCCC1)C1CC1 ZINC001713038579 1417589238 /nfs/dbraw/zinc/58/92/38/1417589238.db2.gz JFWLDZUXPDUQTN-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001713057143 1417611193 /nfs/dbraw/zinc/61/11/93/1417611193.db2.gz YUFKJIWMKIRAFS-QCUYKYDPSA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713132984 1417708960 /nfs/dbraw/zinc/70/89/60/1417708960.db2.gz KLNLPTCDYHRYHC-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+](C)C1CCCCC1 ZINC001713141800 1417723848 /nfs/dbraw/zinc/72/38/48/1417723848.db2.gz OEMXHSWXXOIBMA-YSIASYRMSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001713205744 1417776047 /nfs/dbraw/zinc/77/60/47/1417776047.db2.gz PBQKIWFPXCZKKB-BDXSIMOUSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001713232582 1417819073 /nfs/dbraw/zinc/81/90/73/1417819073.db2.gz AHKFUGLXHXGOQD-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239355 1417825474 /nfs/dbraw/zinc/82/54/74/1417825474.db2.gz SQVCQKPLCSQIJG-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239356 1417825614 /nfs/dbraw/zinc/82/56/14/1417825614.db2.gz SQVCQKPLCSQIJG-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001713265551 1417873602 /nfs/dbraw/zinc/87/36/02/1417873602.db2.gz KJQKHDBFRBFRRE-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001713270789 1417882391 /nfs/dbraw/zinc/88/23/91/1417882391.db2.gz VBORWUQAGCUOTA-QZTJIDSGSA-N 2 0 349.544 3.045 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001713294277 1417922060 /nfs/dbraw/zinc/92/20/60/1417922060.db2.gz YDMHIOCEXZXZMT-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733064918 1429217732 /nfs/dbraw/zinc/21/77/32/1429217732.db2.gz DBESTUUYIRTNEE-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001713320457 1417945382 /nfs/dbraw/zinc/94/53/82/1417945382.db2.gz ACPNPPCTOZJIQC-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001713400725 1418022763 /nfs/dbraw/zinc/02/27/63/1418022763.db2.gz KAIXQVCPQSZRJI-APWZRJJASA-N 2 0 349.494 3.150 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001713514187 1418246848 /nfs/dbraw/zinc/24/68/48/1418246848.db2.gz VSPZAFHXIXHOSV-FXAWDEMLSA-N 2 0 345.531 3.403 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCCCC1 ZINC001713515100 1418249264 /nfs/dbraw/zinc/24/92/64/1418249264.db2.gz OJUVXKMDWGZRPH-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cc(C)cc(C[N@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001713517515 1418254275 /nfs/dbraw/zinc/25/42/75/1418254275.db2.gz LUILMINSWDJAJX-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP O=C(C[NH+]1CCCC1)NCC[N@H+](CCC1CCCCCC1)C1CC1 ZINC001713565380 1418374555 /nfs/dbraw/zinc/37/45/55/1418374555.db2.gz JZSJJZQINMYCEJ-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)cc1C ZINC001713592448 1418386811 /nfs/dbraw/zinc/38/68/11/1418386811.db2.gz VNYUKAUTSSCRRR-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CCC1=CCCCC1 ZINC001713641749 1418408054 /nfs/dbraw/zinc/40/80/54/1418408054.db2.gz WCBJHWWTILXPJL-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001713681783 1418433673 /nfs/dbraw/zinc/43/36/73/1418433673.db2.gz MTNAEIRUOCTHSG-YLJYHZDGSA-N 2 0 349.563 3.266 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001713722799 1418498127 /nfs/dbraw/zinc/49/81/27/1418498127.db2.gz UONCGRDGBNFQOT-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001733172029 1429274258 /nfs/dbraw/zinc/27/42/58/1429274258.db2.gz OEHDLCCRJXDSLS-RCCFBDPRSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001733172056 1429274323 /nfs/dbraw/zinc/27/43/23/1429274323.db2.gz OUOFACGNRABISK-AHRSYUTCSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713868812 1418665721 /nfs/dbraw/zinc/66/57/21/1418665721.db2.gz UXWXNNZDPPRPSQ-OALUTQOASA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713897313 1418695733 /nfs/dbraw/zinc/69/57/33/1418695733.db2.gz QHWCLJMTDYLVET-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714070598 1418866219 /nfs/dbraw/zinc/86/62/19/1418866219.db2.gz LOJZUAIVYLSLAL-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCC2CCCCCC2)CCCC1 ZINC001714150733 1418957362 /nfs/dbraw/zinc/95/73/62/1418957362.db2.gz GPXLLRLQAXAPFD-UHFFFAOYSA-N 2 0 349.563 3.461 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714156827 1418967243 /nfs/dbraw/zinc/96/72/43/1418967243.db2.gz QESSNCBOEQXZRB-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)CC1 ZINC001714223750 1419018422 /nfs/dbraw/zinc/01/84/22/1419018422.db2.gz AJVIUVZOOXESLT-IBGZPJMESA-N 2 0 347.547 3.047 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1 ZINC001714253283 1419038083 /nfs/dbraw/zinc/03/80/83/1419038083.db2.gz JHVDQZBUEWANKT-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001714327537 1419106357 /nfs/dbraw/zinc/10/63/57/1419106357.db2.gz AVGUEYXJLLMDAY-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714334935 1419113519 /nfs/dbraw/zinc/11/35/19/1419113519.db2.gz YTXGDYVQOPQNCW-LXORQPIJSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001714363908 1419124410 /nfs/dbraw/zinc/12/44/10/1419124410.db2.gz JIIPAKKRKMDITD-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714403756 1419146291 /nfs/dbraw/zinc/14/62/91/1419146291.db2.gz PJBYVGQXKHZPMR-SJORKVTESA-N 2 0 342.487 3.464 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001714449669 1419182594 /nfs/dbraw/zinc/18/25/94/1419182594.db2.gz YJKPQYPBUUCCHC-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001714454542 1419187494 /nfs/dbraw/zinc/18/74/94/1419187494.db2.gz PJAWGHFXYLUYSH-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1)[NH+]1CCCC1 ZINC001714500297 1419226310 /nfs/dbraw/zinc/22/63/10/1419226310.db2.gz KFAHKLNEKZBXBR-UHFFFAOYSA-N 2 0 349.544 3.141 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCC(C)(C)C)CCCC2)CC1 ZINC001714507677 1419234867 /nfs/dbraw/zinc/23/48/67/1419234867.db2.gz KEEXUKYNJPROQE-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CCC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCCC[N@@H+]1C)CC2 ZINC001714521286 1419247554 /nfs/dbraw/zinc/24/75/54/1419247554.db2.gz ODWPJCWKCVBZQW-ZMBJWTFHSA-N 2 0 347.547 3.142 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC2(C[NH+](CCC3CCCCC3)C2)CC1 ZINC001714523858 1419249520 /nfs/dbraw/zinc/24/95/20/1419249520.db2.gz RTXIYJRCHUOMRX-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1c(C(=O)NCC[N@@H+](C)CCC2CCCCC2)ccc2c[nH+]cn21 ZINC001714556276 1419283925 /nfs/dbraw/zinc/28/39/25/1419283925.db2.gz QTUXDMCHVQJYST-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)Cc1ccc(C)cc1C ZINC001714583114 1419322306 /nfs/dbraw/zinc/32/23/06/1419322306.db2.gz LAJUGFDMPFUYCX-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@H](C)c1cccc(F)c1 ZINC001714585628 1419327394 /nfs/dbraw/zinc/32/73/94/1419327394.db2.gz YYRPBRLXRGXOJC-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1csc(C)c1 ZINC001714594256 1419343629 /nfs/dbraw/zinc/34/36/29/1419343629.db2.gz KMPZYNJUEFOYRK-MSOLQXFVSA-N 2 0 349.544 3.012 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001714622669 1419390336 /nfs/dbraw/zinc/39/03/36/1419390336.db2.gz LOHFCXQWKLGDHJ-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001714650276 1419427668 /nfs/dbraw/zinc/42/76/68/1419427668.db2.gz RETVVIKKWQUCLN-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1ccsc1 ZINC001714656025 1419438106 /nfs/dbraw/zinc/43/81/06/1419438106.db2.gz UQHITMNEZJALIC-MSOLQXFVSA-N 2 0 349.544 3.093 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001714665487 1419453105 /nfs/dbraw/zinc/45/31/05/1419453105.db2.gz KMHAYHSKYXHVNI-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CC[N@H+](C)C2CCCCC2)cc1 ZINC001714739158 1419488855 /nfs/dbraw/zinc/48/88/55/1419488855.db2.gz HVSAGEXLHVZEQU-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714798160 1419513741 /nfs/dbraw/zinc/51/37/41/1419513741.db2.gz RHKXIGBNUBOLNQ-AZUAARDMSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC001714798060 1419513820 /nfs/dbraw/zinc/51/38/20/1419513820.db2.gz PFHORCQYPCDVPW-KDURUIRLSA-N 2 0 345.531 3.033 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001714881688 1419618476 /nfs/dbraw/zinc/61/84/76/1419618476.db2.gz PNYZXHVOKXJTRP-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714917153 1419668840 /nfs/dbraw/zinc/66/88/40/1419668840.db2.gz TVHNREVCOVSPHG-SLVIYJBESA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733225350 1429350624 /nfs/dbraw/zinc/35/06/24/1429350624.db2.gz GWSAXSUTQKZXAD-MGBKSAOESA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226544 1429353599 /nfs/dbraw/zinc/35/35/99/1429353599.db2.gz OLZZQGLILBSSSK-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071078 1419806324 /nfs/dbraw/zinc/80/63/24/1419806324.db2.gz BOZIBQVJJIVNAW-VQIMIIECSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001715099336 1419839865 /nfs/dbraw/zinc/83/98/65/1419839865.db2.gz PRZMLLUYRSLXLD-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001715104274 1419845540 /nfs/dbraw/zinc/84/55/40/1419845540.db2.gz RAJLWYRLOLDXGD-ROUUACIJSA-N 2 0 343.515 3.078 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCC1CC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001715145437 1419891188 /nfs/dbraw/zinc/89/11/88/1419891188.db2.gz NYGCDBSLEOPYLD-DYESRHJHSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001715181045 1419914895 /nfs/dbraw/zinc/91/48/95/1419914895.db2.gz CJMSBBLFTDFHHV-GUDVDZBRSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001715189689 1419921887 /nfs/dbraw/zinc/92/18/87/1419921887.db2.gz NFXARSOSNHDVNS-FHWLQOOXSA-N 2 0 337.552 3.312 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC=C(C)C)CCCC2)C1 ZINC001715302728 1420010589 /nfs/dbraw/zinc/01/05/89/1420010589.db2.gz DJGKQGYJIYWDNG-GOSISDBHSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001715375652 1420071784 /nfs/dbraw/zinc/07/17/84/1420071784.db2.gz FBLFUNRCWDUUFH-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001715388486 1420085214 /nfs/dbraw/zinc/08/52/14/1420085214.db2.gz BWOVYGCLOFJFQV-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715396327 1420093813 /nfs/dbraw/zinc/09/38/13/1420093813.db2.gz WNUPOAVCKOGUQN-MGSINWNPSA-N 2 0 343.943 3.124 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715396685 1420094583 /nfs/dbraw/zinc/09/45/83/1420094583.db2.gz ZSOMHFAYQBJIKF-QGZVFWFLSA-N 2 0 339.568 3.418 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@@H]1C ZINC001715421756 1420113804 /nfs/dbraw/zinc/11/38/04/1420113804.db2.gz XDQBUJHJMJUDCD-PXNSSMCTSA-N 2 0 345.531 3.031 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001715421769 1420113928 /nfs/dbraw/zinc/11/39/28/1420113928.db2.gz XDQBUJHJMJUDCD-YLJYHZDGSA-N 2 0 345.531 3.031 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715433347 1420121453 /nfs/dbraw/zinc/12/14/53/1420121453.db2.gz BWFWZACWGNMYIQ-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715447472 1420131216 /nfs/dbraw/zinc/13/12/16/1420131216.db2.gz SSGGPTRFIGZJAK-VZSQWMKGSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001715568065 1420257241 /nfs/dbraw/zinc/25/72/41/1420257241.db2.gz UWIWCBDOSMZXRR-RBUKOAKNSA-N 2 0 337.552 3.173 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715739052 1420319881 /nfs/dbraw/zinc/31/98/81/1420319881.db2.gz PFJIAPMVZIVLJD-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001715877123 1420379642 /nfs/dbraw/zinc/37/96/42/1420379642.db2.gz UXNMYDMGKWCOBL-QDNWOOLPSA-N 2 0 349.906 3.005 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001715877115 1420379678 /nfs/dbraw/zinc/37/96/78/1420379678.db2.gz UXNMYDMGKWCOBL-ILNYKDOHSA-N 2 0 349.906 3.005 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715998389 1420452556 /nfs/dbraw/zinc/45/25/56/1420452556.db2.gz JZSYDEKRFXWHPP-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716026405 1420483452 /nfs/dbraw/zinc/48/34/52/1420483452.db2.gz DWIJYIKVBSQUMB-ZYHOBAKYSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716028050 1420485311 /nfs/dbraw/zinc/48/53/11/1420485311.db2.gz IISYOXHIMHZYPO-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716034533 1420493551 /nfs/dbraw/zinc/49/35/51/1420493551.db2.gz KNZCUSHKDCCLBR-MSOLQXFVSA-N 2 0 345.531 3.367 10 0 EGAERP C[C@H](CC[NH2+]CCCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164355 1420547610 /nfs/dbraw/zinc/54/76/10/1420547610.db2.gz RNOCVWJUEJKITB-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001716217277 1420569698 /nfs/dbraw/zinc/56/96/98/1420569698.db2.gz NANJIZXSBVYEEF-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716437672 1420658470 /nfs/dbraw/zinc/65/84/70/1420658470.db2.gz TYQFDZDYGDAMHV-WYIDIVSCSA-N 2 0 335.536 3.092 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001716549884 1420757958 /nfs/dbraw/zinc/75/79/58/1420757958.db2.gz MAEVCXZYBGYCJW-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001733276222 1429440065 /nfs/dbraw/zinc/44/00/65/1429440065.db2.gz PROJWJMVEJQGOE-YMHTTXFNSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH+]2CC(N(C)C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001716753516 1420904706 /nfs/dbraw/zinc/90/47/06/1420904706.db2.gz ITHMCHJPITVPEC-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001716753833 1420905180 /nfs/dbraw/zinc/90/51/80/1420905180.db2.gz SHIBANBJNRHKNE-SFHVURJKSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001716768013 1420913407 /nfs/dbraw/zinc/91/34/07/1420913407.db2.gz SQPROHMCUXPSFL-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1cncn1CC(=O)NCC[N@@H+](CCC(C)C)C1CCCCCC1 ZINC001733278779 1429447471 /nfs/dbraw/zinc/44/74/71/1429447471.db2.gz XPVDQRKKYCBCCJ-UHFFFAOYSA-N 2 0 348.535 3.379 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1cccc(F)c1 ZINC001716820839 1420946942 /nfs/dbraw/zinc/94/69/42/1420946942.db2.gz JPAKZQKPXBHVNP-DNVCBOLYSA-N 2 0 349.494 3.103 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001716849734 1420979413 /nfs/dbraw/zinc/97/94/13/1420979413.db2.gz CLZBFWLLNUNXJU-TZIWHRDSSA-N 2 0 345.531 3.450 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716851794 1420982425 /nfs/dbraw/zinc/98/24/25/1420982425.db2.gz RVMORVBVPJPLKQ-YJJPMGAVSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001716864091 1420993677 /nfs/dbraw/zinc/99/36/77/1420993677.db2.gz ACDLWNXYSPKXOW-HOHWPDKRSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001716872215 1420999857 /nfs/dbraw/zinc/99/98/57/1420999857.db2.gz BOHLEABSBPOTPF-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896846 1421024569 /nfs/dbraw/zinc/02/45/69/1421024569.db2.gz XJGPJAJFYHSPED-FPOVZHCZSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001716973493 1421058081 /nfs/dbraw/zinc/05/80/81/1421058081.db2.gz NOJSFOHQJIITPE-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001717035108 1421088531 /nfs/dbraw/zinc/08/85/31/1421088531.db2.gz GHBSKRKPRZDFOM-QZTJIDSGSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC2(C1)CC[NH+](CCCC(C)C)CC2 ZINC001717128084 1421129243 /nfs/dbraw/zinc/12/92/43/1421129243.db2.gz NIQKHFVNTPQROE-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001717157134 1421146888 /nfs/dbraw/zinc/14/68/88/1421146888.db2.gz SSIJYQAUKCITBZ-VDZMMWBESA-N 2 0 335.536 3.092 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001717159395 1421149001 /nfs/dbraw/zinc/14/90/01/1421149001.db2.gz GKQHHMKFNSLRSQ-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717196510 1421163062 /nfs/dbraw/zinc/16/30/62/1421163062.db2.gz FXYQYPAQEHRIMF-LLHWWHOWSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717237478 1421205371 /nfs/dbraw/zinc/20/53/71/1421205371.db2.gz LZXZSTVXBCOGLK-VOFKWLDRSA-N 2 0 347.547 3.045 10 0 EGAERP CCc1cccc(C[NH2+]C2(CC)CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001717239962 1421208334 /nfs/dbraw/zinc/20/83/34/1421208334.db2.gz FPKJZHITQJSKBM-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CCC(C)(C)C)CC2(C)C)CCC1 ZINC001717309094 1421251340 /nfs/dbraw/zinc/25/13/40/1421251340.db2.gz FCKUFZPPEWGXHK-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001717354595 1421288878 /nfs/dbraw/zinc/28/88/78/1421288878.db2.gz HFJZLWDAJOODMY-AQWUKCDYSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCC2CCCCC2)C1 ZINC001717370147 1421307728 /nfs/dbraw/zinc/30/77/28/1421307728.db2.gz CDQRFSDALUVKFI-ICSRJNTNSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC2CC(NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001717384805 1421325664 /nfs/dbraw/zinc/32/56/64/1421325664.db2.gz MMJRDQPKOLLLKU-LRYGQEGESA-N 2 0 343.515 3.025 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001717454829 1421384235 /nfs/dbraw/zinc/38/42/35/1421384235.db2.gz OKHSUCAQOIQXII-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001717476748 1421410163 /nfs/dbraw/zinc/41/01/63/1421410163.db2.gz RMAOQRAKMDLQTJ-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001717526806 1421462548 /nfs/dbraw/zinc/46/25/48/1421462548.db2.gz MUEFYTUSDRBELE-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001717583591 1421510382 /nfs/dbraw/zinc/51/03/82/1421510382.db2.gz GOFVBXKEDCEJCK-CNZFZVQHSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589466 1421518616 /nfs/dbraw/zinc/51/86/16/1421518616.db2.gz PATKHXRZZSJRDS-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](CCCC3CCC3)C[C@]2(C)C1 ZINC001717632274 1421542406 /nfs/dbraw/zinc/54/24/06/1421542406.db2.gz FPGBSPOOJHQGLN-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001717632984 1421542991 /nfs/dbraw/zinc/54/29/91/1421542991.db2.gz YGXOBTNSUAOKTP-NRSPTQNISA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001717668971 1421558767 /nfs/dbraw/zinc/55/87/67/1421558767.db2.gz MQGMVLFFDMMPTQ-NZSAHSFTSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001717671318 1421559570 /nfs/dbraw/zinc/55/95/70/1421559570.db2.gz NDBGQMHBSUIACO-LPHOPBHVSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001717836250 1421649426 /nfs/dbraw/zinc/64/94/26/1421649426.db2.gz GZCVFQNMLIEQIV-YLJYHZDGSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001717839310 1421653643 /nfs/dbraw/zinc/65/36/43/1421653643.db2.gz FYOYCZWHVINNNU-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2 ZINC001717841519 1421656681 /nfs/dbraw/zinc/65/66/81/1421656681.db2.gz SKNFNQGWQBPRBO-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717881009 1421685590 /nfs/dbraw/zinc/68/55/90/1421685590.db2.gz KZXBLSXJXUWDIM-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895001 1421692830 /nfs/dbraw/zinc/69/28/30/1421692830.db2.gz BTGRXWINKGSUDF-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001717903653 1421699859 /nfs/dbraw/zinc/69/98/59/1421699859.db2.gz WQZGECAPPUGCHO-UCFODXPJSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)C[NH+](C)C1CCC1 ZINC001717948660 1421715939 /nfs/dbraw/zinc/71/59/39/1421715939.db2.gz VLMUACCMEBFRIV-UHFFFAOYSA-N 2 0 325.541 3.076 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001717985245 1421757532 /nfs/dbraw/zinc/75/75/32/1421757532.db2.gz CVTDXODBCKOURC-XBMUEBEBSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001718000383 1421767362 /nfs/dbraw/zinc/76/73/62/1421767362.db2.gz JQIZPKNGIPIHKW-MHJFOBGBSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CC3CCCCCC3)CC2)CC1 ZINC001718025931 1421779909 /nfs/dbraw/zinc/77/99/09/1421779909.db2.gz BVJDBRNYVOEGNS-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H](C)C1 ZINC001733323670 1429508636 /nfs/dbraw/zinc/50/86/36/1429508636.db2.gz AZWAPZALMXLFGF-MZIIKBMYSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001733327923 1429513475 /nfs/dbraw/zinc/51/34/75/1429513475.db2.gz OCWODZAYTKXUQC-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001733328602 1429513858 /nfs/dbraw/zinc/51/38/58/1429513858.db2.gz NPNZYOCUXRFGPS-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001733334940 1429519514 /nfs/dbraw/zinc/51/95/14/1429519514.db2.gz ZDXFDZPWNMUIQU-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001733355943 1429536867 /nfs/dbraw/zinc/53/68/67/1429536867.db2.gz GYEBNZNZGYVYRZ-HKVCONOFSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001733382998 1429568527 /nfs/dbraw/zinc/56/85/27/1429568527.db2.gz KWFQWBREIWTHHQ-HYGDWFSYSA-N 2 0 349.563 3.338 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001733426508 1429633789 /nfs/dbraw/zinc/63/37/89/1429633789.db2.gz SZLNXULDCSMFQX-PXNSSMCTSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001733449195 1429660248 /nfs/dbraw/zinc/66/02/48/1429660248.db2.gz ZZCNPGWIJZEYSN-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001733458958 1429680877 /nfs/dbraw/zinc/68/08/77/1429680877.db2.gz JTHDDRIPNGUNRS-ABDUDLSGSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ccc1C ZINC001723037584 1424291228 /nfs/dbraw/zinc/29/12/28/1424291228.db2.gz TZFVOEHRCGSGFX-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001723324771 1424351555 /nfs/dbraw/zinc/35/15/55/1424351555.db2.gz SLEXWKWOQJEYLC-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001723324767 1424351699 /nfs/dbraw/zinc/35/16/99/1424351699.db2.gz SLEXWKWOQJEYLC-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)CC1 ZINC001723332892 1424356035 /nfs/dbraw/zinc/35/60/35/1424356035.db2.gz BKTYGPBWKZPKQN-FQEVSTJZSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)C ZINC001723390266 1424383900 /nfs/dbraw/zinc/38/39/00/1424383900.db2.gz VRQIQPQSTLJBMW-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CC(C)(C)C1)C2 ZINC001733518668 1429728719 /nfs/dbraw/zinc/72/87/19/1429728719.db2.gz SGLUKKXAAVZAMT-WDSOQIARSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001723616392 1424494515 /nfs/dbraw/zinc/49/45/15/1424494515.db2.gz ADPQTQIRYTXACZ-IHWFROFDSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001723858918 1424587363 /nfs/dbraw/zinc/58/73/63/1424587363.db2.gz OZSSGYZIELFDNB-WBVHZDCISA-N 2 0 342.487 3.272 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C)C1 ZINC001723860417 1424589416 /nfs/dbraw/zinc/58/94/16/1424589416.db2.gz LZKXFAQXQZDTMV-MJGOQNOKSA-N 2 0 345.531 3.231 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533234 1429739980 /nfs/dbraw/zinc/73/99/80/1429739980.db2.gz ITBRWSIYYUKIGJ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001724176684 1424713069 /nfs/dbraw/zinc/71/30/69/1424713069.db2.gz XTFANXAKNIXAQG-XZZFYQAUSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001724612342 1424955338 /nfs/dbraw/zinc/95/53/38/1424955338.db2.gz HJFJQACNLFZJHS-FHWLQOOXSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001724647406 1425003573 /nfs/dbraw/zinc/00/35/73/1425003573.db2.gz GCHVDCSDPJFLMW-RBUKOAKNSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC[N@@H+]1C ZINC001724727624 1425079515 /nfs/dbraw/zinc/07/95/15/1425079515.db2.gz OOHGKCGKIAFGON-SXLOBPIMSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001724738892 1425099420 /nfs/dbraw/zinc/09/94/20/1425099420.db2.gz ROSDTRFWLZPXAR-UXHICEINSA-N 2 0 343.515 3.162 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001724738896 1425099559 /nfs/dbraw/zinc/09/95/59/1425099559.db2.gz ROSDTRFWLZPXAR-WOJBJXKFSA-N 2 0 343.515 3.162 10 0 EGAERP C[C@@H]([NH2+]Cc1ccsc1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001724748946 1425118324 /nfs/dbraw/zinc/11/83/24/1425118324.db2.gz LOYRGCJDTJNZGY-OAHLLOKOSA-N 2 0 345.512 3.167 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001724858250 1425236598 /nfs/dbraw/zinc/23/65/98/1425236598.db2.gz RIWAELPQBQPBLI-WOJBJXKFSA-N 2 0 345.531 3.087 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)Cn2ccnc2C(C)C)CC1 ZINC001724890614 1425277150 /nfs/dbraw/zinc/27/71/50/1425277150.db2.gz YTWLNVQIXAQHAA-UHFFFAOYSA-N 2 0 334.508 3.023 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001724890823 1425277620 /nfs/dbraw/zinc/27/76/20/1425277620.db2.gz HCJINTKCKYPQBI-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001725018136 1425436899 /nfs/dbraw/zinc/43/68/99/1425436899.db2.gz OWCCAZDYMGMOTN-WAYWQWQTSA-N 2 0 349.563 3.389 10 0 EGAERP CC[N@H+](CCC(C)(C)C)CC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001725025451 1425443281 /nfs/dbraw/zinc/44/32/81/1425443281.db2.gz BXCUBRAHRDNSEY-UHFFFAOYSA-N 2 0 339.568 3.325 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725042404 1425469359 /nfs/dbraw/zinc/46/93/59/1425469359.db2.gz OTOSKAVPJSEFSG-SFHVURJKSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725045515 1425475402 /nfs/dbraw/zinc/47/54/02/1425475402.db2.gz ZFOKRJIBHVVDOM-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001725056082 1425492838 /nfs/dbraw/zinc/49/28/38/1425492838.db2.gz RASGYOHGYRFLML-UXHICEINSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001725105617 1425555498 /nfs/dbraw/zinc/55/54/98/1425555498.db2.gz GTRBNMREJPSGEU-HZPDHXFCSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCCC1 ZINC001725226698 1425795445 /nfs/dbraw/zinc/79/54/45/1425795445.db2.gz CTCVOYFXGRBSFN-ROUUACIJSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccsc1)NC(=O)C12CCC[NH+]1CCC2 ZINC001725235754 1425819933 /nfs/dbraw/zinc/81/99/33/1425819933.db2.gz WOWQVBHXFVWEGX-KRWDZBQOSA-N 2 0 349.544 3.141 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001725263274 1425895944 /nfs/dbraw/zinc/89/59/44/1425895944.db2.gz HZZIUZMQYZVICM-QFBILLFUSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001725296306 1425944373 /nfs/dbraw/zinc/94/43/73/1425944373.db2.gz HAPQOXXMEDBSCX-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725333018 1425976843 /nfs/dbraw/zinc/97/68/43/1425976843.db2.gz HLJOEBBAHNXABV-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001725360712 1426010771 /nfs/dbraw/zinc/01/07/71/1426010771.db2.gz YYLHUQWJIXFHIH-QXIUMYAXSA-N 2 0 347.547 3.234 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001725403604 1426047533 /nfs/dbraw/zinc/04/75/33/1426047533.db2.gz IVLCZROARMJSMK-ZWKOTPCHSA-N 2 0 345.531 3.272 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001725415686 1426061133 /nfs/dbraw/zinc/06/11/33/1426061133.db2.gz HCNUKOTVPVYYJQ-MSOLQXFVSA-N 2 0 331.504 3.026 10 0 EGAERP C[C@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001725524039 1426215075 /nfs/dbraw/zinc/21/50/75/1426215075.db2.gz NONGAUDWUHLYKS-MRXNPFEDSA-N 2 0 345.531 3.235 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001725559462 1426224049 /nfs/dbraw/zinc/22/40/49/1426224049.db2.gz DASDVOWTFFVJDI-APWZRJJASA-N 2 0 342.487 3.416 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@H]1C ZINC001725619307 1426282514 /nfs/dbraw/zinc/28/25/14/1426282514.db2.gz FULIAYWNGJDEKF-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CCC(=O)N1C[C@@H]([NH2+]CC2CCC2)C(C)(C)C1)C1CCCCC1 ZINC001725673723 1426358113 /nfs/dbraw/zinc/35/81/13/1426358113.db2.gz LCRWPBSQYFHLDF-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccc(F)cc2)C(C)(C)C1 ZINC001725684638 1426371950 /nfs/dbraw/zinc/37/19/50/1426371950.db2.gz RPMRZQVXFFFUTK-QAPCUYQASA-N 2 0 349.494 3.054 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736698 1426411146 /nfs/dbraw/zinc/41/11/46/1426411146.db2.gz DEMQRQWUEBVGNS-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)CCC1 ZINC001725739331 1426414463 /nfs/dbraw/zinc/41/44/63/1426414463.db2.gz MZWUPTDUEWPKDS-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C)[NH+](C)C ZINC001725746563 1426424001 /nfs/dbraw/zinc/42/40/01/1426424001.db2.gz OQKAFTLFBMXFFY-RTBURBONSA-N 2 0 347.547 3.264 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725793753 1426479043 /nfs/dbraw/zinc/47/90/43/1426479043.db2.gz FXBQKLXZFDVXIE-LJQANCHMSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001731382483 1427321777 /nfs/dbraw/zinc/32/17/77/1427321777.db2.gz FYRHUTNAAAKUGZ-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001731435981 1427417423 /nfs/dbraw/zinc/41/74/23/1427417423.db2.gz NAJLUUBLNPUJGD-SLVIYJBESA-N 2 0 343.515 3.226 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CC1 ZINC001731468400 1427447801 /nfs/dbraw/zinc/44/78/01/1427447801.db2.gz ZMKSKNRXYBHNKQ-IHWFROFDSA-N 2 0 347.547 3.164 10 0 EGAERP CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731469320 1427449811 /nfs/dbraw/zinc/44/98/11/1427449811.db2.gz YJBJJMYZOKMLRC-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001731518640 1427506340 /nfs/dbraw/zinc/50/63/40/1427506340.db2.gz KVNLZXPOXPWKPH-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CCC1 ZINC001731692944 1427741613 /nfs/dbraw/zinc/74/16/13/1427741613.db2.gz QCLQGPINRPAYOM-RBUKOAKNSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2=CCCCC2)C1 ZINC001731721517 1427791632 /nfs/dbraw/zinc/79/16/32/1427791632.db2.gz UANLTIGDQAVXPP-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP C[C@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001731728046 1427803183 /nfs/dbraw/zinc/80/31/83/1427803183.db2.gz KMKYJJPUDBBTOR-CQSZACIVSA-N 2 0 339.549 3.344 10 0 EGAERP C[C@H](CCNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001731730188 1427806093 /nfs/dbraw/zinc/80/60/93/1427806093.db2.gz ZOTHOZOLNPAOGQ-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731925202 1428172387 /nfs/dbraw/zinc/17/23/87/1428172387.db2.gz IADKUNIMCWTOMF-UHFFFAOYSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001733606355 1429818548 /nfs/dbraw/zinc/81/85/48/1429818548.db2.gz TZTNNDBGYDAUED-LWYYNNOASA-N 2 0 349.563 3.076 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733651485 1429844507 /nfs/dbraw/zinc/84/45/07/1429844507.db2.gz ILDQPBXLTDLPPT-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001733684909 1429900304 /nfs/dbraw/zinc/90/03/04/1429900304.db2.gz QMMPVHNEVNIWLT-QZTJIDSGSA-N 2 0 345.531 3.341 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC001733762725 1429979152 /nfs/dbraw/zinc/97/91/52/1429979152.db2.gz CJJNHFJIDBIODI-PMACEKPBSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[N@H+](C)CC2=CCCCC2)CC1 ZINC001733779436 1430036663 /nfs/dbraw/zinc/03/66/63/1430036663.db2.gz NGCBRZQPWUJBGV-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C/C=C\c2ccccc2)CC1 ZINC001733869483 1437696056 /nfs/dbraw/zinc/69/60/56/1437696056.db2.gz JXNRIBSFIHZEOV-FLIBITNWSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC2(CC1)CC[NH+](C[C@H](C)CC)CC2 ZINC001733911373 1437729542 /nfs/dbraw/zinc/72/95/42/1437729542.db2.gz PPDAXJYTOFMAHY-GOSISDBHSA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001733932733 1437745996 /nfs/dbraw/zinc/74/59/96/1437745996.db2.gz KYOFFYMIUKOHOU-KAGICYHLSA-N 2 0 335.536 3.140 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCC(C)(C)C)C1 ZINC001733959980 1437766144 /nfs/dbraw/zinc/76/61/44/1437766144.db2.gz LTXHIQCWKJHOGF-DAWZGUTISA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)c1ccccc1CC[NH+](C)C ZINC001733981906 1437779225 /nfs/dbraw/zinc/77/92/25/1437779225.db2.gz IVSRNWGFLIKUGV-SJORKVTESA-N 2 0 347.547 3.323 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001733996448 1437790039 /nfs/dbraw/zinc/79/00/39/1437790039.db2.gz UPHQYOOVDQGOLP-SJORKVTESA-N 2 0 345.531 3.135 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001734000816 1437793736 /nfs/dbraw/zinc/79/37/36/1437793736.db2.gz GWIXFPGAGYLAOQ-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001734098804 1437882781 /nfs/dbraw/zinc/88/27/81/1437882781.db2.gz DRSOCRNQEQEUGY-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001734131434 1437907543 /nfs/dbraw/zinc/90/75/43/1437907543.db2.gz PFKZFHZHHBYRKU-XBMUEBEBSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001734331371 1438054724 /nfs/dbraw/zinc/05/47/24/1438054724.db2.gz MONZBTYISOQCFX-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734430240 1438094200 /nfs/dbraw/zinc/09/42/00/1438094200.db2.gz ZHZDNOOVDCUTSM-ZLQADLMRSA-N 2 0 343.515 3.297 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001734441364 1438103796 /nfs/dbraw/zinc/10/37/96/1438103796.db2.gz CKMULXSZKNZUMM-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001734444440 1438105901 /nfs/dbraw/zinc/10/59/01/1438105901.db2.gz NVLJPWAEGSPPMB-XSNSTOHYSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CC1CCCC1 ZINC001734454740 1438112608 /nfs/dbraw/zinc/11/26/08/1438112608.db2.gz BWEYSMVLWCYTMC-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1)c1ccccc1 ZINC001734510420 1438138263 /nfs/dbraw/zinc/13/82/63/1438138263.db2.gz RZSHTGAZVDYGIY-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1C[C@@H]([NH2+]CC(C)C)C(C)(C)C1)c1ccccc1 ZINC001734510429 1438138355 /nfs/dbraw/zinc/13/83/55/1438138355.db2.gz RZSHTGAZVDYGIY-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734554205 1438152910 /nfs/dbraw/zinc/15/29/10/1438152910.db2.gz QJRMXFNOXIILLP-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C)c1ccccc1 ZINC001734575974 1438169157 /nfs/dbraw/zinc/16/91/57/1438169157.db2.gz XRMKKESQWHKXIU-RBUKOAKNSA-N 2 0 345.531 3.210 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CCC2)CC1)[NH+](CC)CC ZINC001734588033 1438178141 /nfs/dbraw/zinc/17/81/41/1438178141.db2.gz ZYJGKGLLZBZQPW-QFBILLFUSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001734611763 1438187158 /nfs/dbraw/zinc/18/71/58/1438187158.db2.gz LERDGSVMVUBBOQ-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000178562520 232258569 /nfs/dbraw/zinc/25/85/69/232258569.db2.gz CZKIRPDDMNBQDS-OAHLLOKOSA-N 2 0 346.446 3.109 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N(C)[C@H]1CC[N@H+](CC)C[C@H]1C ZINC000357238218 283209203 /nfs/dbraw/zinc/20/92/03/283209203.db2.gz MVZCEPATBWQVNB-MSOLQXFVSA-N 2 0 325.541 3.077 10 0 EGAERP C[N@H+](C[C@@H]1CC[NH+](Cc2ccccc2)C1)C[C@](C)(O)c1ccccc1 ZINC000072869072 216322529 /nfs/dbraw/zinc/32/25/29/216322529.db2.gz KNOLCQBNIJHMRW-UNMCSNQZSA-N 2 0 338.495 3.348 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)[C@H](C)C1 ZINC000093639225 218236242 /nfs/dbraw/zinc/23/62/42/218236242.db2.gz QSMKNAKSCCZKHK-KDOFPFPSSA-N 2 0 330.451 3.378 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C)C1 ZINC000246784318 141033435 /nfs/dbraw/zinc/03/34/35/141033435.db2.gz INRJYRZTVGNXNS-NVXWUHKLSA-N 2 0 347.528 3.153 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2OCC[C@@H]21)c1ccc(OCC[NH+](C)C)cc1 ZINC000246835203 141037980 /nfs/dbraw/zinc/03/79/80/141037980.db2.gz BHRBTZORXSKNAB-OBZTUIKSSA-N 2 0 332.488 3.235 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]([NH+]2CCCC2)CC1 ZINC000346201297 141179009 /nfs/dbraw/zinc/17/90/09/141179009.db2.gz MSDXYLGGQWIMCK-IBGZPJMESA-N 2 0 339.487 3.026 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000353463419 141302027 /nfs/dbraw/zinc/30/20/27/141302027.db2.gz RMCNZSDPOLYGHS-CGXNFDGLSA-N 2 0 327.516 3.113 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccc1 ZINC000112529211 162181317 /nfs/dbraw/zinc/18/13/17/162181317.db2.gz PGABQWYOKWPLCZ-HXUWFJFHSA-N 2 0 338.499 3.464 10 0 EGAERP OCC[C@@H]1CCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249037905 163052052 /nfs/dbraw/zinc/05/20/52/163052052.db2.gz TXDABKQBUXVBSV-JRSUCEMESA-N 2 0 328.500 3.323 10 0 EGAERP CC[NH+](CC)CCCC1CCN(C(=O)c2c[nH+]ccc2N(C)C)CC1 ZINC000354327523 166004039 /nfs/dbraw/zinc/00/40/39/166004039.db2.gz PBOPPHWZENJNNN-UHFFFAOYSA-N 2 0 346.519 3.122 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOc1ccccc1C ZINC000346166941 164354972 /nfs/dbraw/zinc/35/49/72/164354972.db2.gz JAPCQRQVGLVONY-UHFFFAOYSA-N 2 0 336.439 3.395 10 0 EGAERP [NH3+]CCCN(c1ccccc1F)C1CC[NH+](Cc2ccncc2)CC1 ZINC000346381503 164377343 /nfs/dbraw/zinc/37/73/43/164377343.db2.gz FNKFIBUHSGRTMZ-UHFFFAOYSA-N 2 0 342.462 3.041 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+][C@@H]1CN(Cc2ccccc2)CC[C@@H]1CO ZINC000346547744 164394643 /nfs/dbraw/zinc/39/46/43/164394643.db2.gz BDSOAVSEKXRDBD-DJIMGWMZSA-N 2 0 344.421 3.190 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cccc(-n3cccn3)c2)CC1 ZINC000350183356 165016256 /nfs/dbraw/zinc/01/62/56/165016256.db2.gz GUIJQTPXPNNRAA-UHFFFAOYSA-N 2 0 326.488 3.426 10 0 EGAERP c1ccc(C[N@@H+]2CCC[C@@H](NC3CC([NH+]4CCCCC4)C3)C2)cc1 ZINC000355610856 166260212 /nfs/dbraw/zinc/26/02/12/166260212.db2.gz RPINFDOJYJWRIA-QNGMFEMESA-N 2 0 327.516 3.258 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000366789052 168141254 /nfs/dbraw/zinc/14/12/54/168141254.db2.gz JCWYRPAXWSJMCE-IEBWSBKVSA-N 2 0 332.488 3.299 10 0 EGAERP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367612666 168249656 /nfs/dbraw/zinc/24/96/56/168249656.db2.gz DSVHXYSRHVUDIX-XUVXKRRUSA-N 2 0 332.488 3.064 10 0 EGAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194020509 266083751 /nfs/dbraw/zinc/08/37/51/266083751.db2.gz DYONUIPBEWJDRT-WCQYABFASA-N 2 0 347.322 3.272 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC2(CCC[N@@H+]2C)CC1 ZINC000366432413 274101927 /nfs/dbraw/zinc/10/19/27/274101927.db2.gz QPKDPTMWMQXYLI-UHFFFAOYSA-N 2 0 329.419 3.447 10 0 EGAERP CC1CC[NH+]([C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)c2ccccc2)CC1 ZINC000246191213 278550640 /nfs/dbraw/zinc/55/06/40/278550640.db2.gz DDTJFXDWMALJOV-VAMGGRTRSA-N 2 0 343.515 3.093 10 0 EGAERP C[C@@]1(C[NH+]2CCC([C@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC[NH2+]C1 ZINC000261733181 279158899 /nfs/dbraw/zinc/15/88/99/279158899.db2.gz HNKLIRHYVJYKPJ-IEBWSBKVSA-N 2 0 347.890 3.087 10 0 EGAERP C[C@H](C[NH2+]C1c2ccccc2CCc2ccccc21)N1CC[NH+](C)CC1 ZINC000180465385 279346897 /nfs/dbraw/zinc/34/68/97/279346897.db2.gz TZOPZKJOGDKITI-GOSISDBHSA-N 2 0 349.522 3.100 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@@H](C)C2)CCOCC1 ZINC000360589430 295104453 /nfs/dbraw/zinc/10/44/53/295104453.db2.gz QZEFOFWZWNBTRI-ROUUACIJSA-N 2 0 346.515 3.124 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c2c(c1)OCCCO2 ZINC000134183933 307682809 /nfs/dbraw/zinc/68/28/09/307682809.db2.gz YRFBBXPTUPLUJS-UHFFFAOYSA-N 2 0 330.472 3.156 10 0 EGAERP COc1ccc(F)c(C[NH2+]Cc2cccc(OCC[NH+](C)C)c2)c1 ZINC000293464359 308132904 /nfs/dbraw/zinc/13/29/04/308132904.db2.gz DMJQUFBVDFNYCK-UHFFFAOYSA-N 2 0 332.419 3.065 10 0 EGAERP Cc1ccc2[nH+]ccc(NC3CC[NH+](C[C@H]4CCOC4)CC3)c2c1 ZINC000302180010 308732190 /nfs/dbraw/zinc/73/21/90/308732190.db2.gz YZLWSBUKYRNQIC-MRXNPFEDSA-N 2 0 325.456 3.456 10 0 EGAERP OC1(C[NH2+][C@@H]2CCCC23CCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000397583448 308904647 /nfs/dbraw/zinc/90/46/47/308904647.db2.gz HUHQHWOIBQHOMN-LJQANCHMSA-N 2 0 328.500 3.326 10 0 EGAERP CCN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415114652 309121315 /nfs/dbraw/zinc/12/13/15/309121315.db2.gz TUVVAJXZQGHBLP-WIDPDILFSA-N 2 0 341.421 3.099 10 0 EGAERP [NH3+][C@@H]1CN(Cc2cc3ccccc3[nH]c2=O)C[C@H]1c1cccc(F)c1 ZINC000415124654 309122108 /nfs/dbraw/zinc/12/21/08/309122108.db2.gz MXOPOSAYLKYYDZ-ZWKOTPCHSA-N 2 0 337.398 3.006 10 0 EGAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000415131023 309122695 /nfs/dbraw/zinc/12/26/95/309122695.db2.gz RSTDEYZVFBMGGE-CTNGQTDRSA-N 2 0 344.499 3.194 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000415953902 309151028 /nfs/dbraw/zinc/15/10/28/309151028.db2.gz LLJALGQQXMAXNE-KRWDZBQOSA-N 2 0 346.519 3.286 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000415957805 309151141 /nfs/dbraw/zinc/15/11/41/309151141.db2.gz PVISPDHJTANLEE-INIZCTEOSA-N 2 0 332.492 3.038 10 0 EGAERP OC1(CCC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000421857824 309343735 /nfs/dbraw/zinc/34/37/35/309343735.db2.gz OXTUROIMOHLTCG-OWZKRDHZSA-N 2 0 328.500 3.467 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)[C@@H](C)C1 ZINC000421878485 309344654 /nfs/dbraw/zinc/34/46/54/309344654.db2.gz LZJCODLKICTADY-KSZLIROESA-N 2 0 340.577 3.246 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422881626 309373907 /nfs/dbraw/zinc/37/39/07/309373907.db2.gz QVKUQLUFGKJRMJ-HNNXBMFYSA-N 2 0 343.309 3.070 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[NH+]1C[C@H](C)C[C@@H](C)C1 ZINC000422888890 309374486 /nfs/dbraw/zinc/37/44/86/309374486.db2.gz DWJYEFWUTGLQEL-OPYAIIAOSA-N 3 0 347.547 3.008 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H](C)CCCC[NH3+])CCOCC1 ZINC000422904680 309375440 /nfs/dbraw/zinc/37/54/40/309375440.db2.gz XVCLXKQPIURAAX-QGZVFWFLSA-N 2 0 334.504 3.159 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422906210 309375547 /nfs/dbraw/zinc/37/55/47/309375547.db2.gz UMYHZUQECWUTCT-MBPVOVBZSA-N 2 0 343.515 3.032 10 0 EGAERP CC[NH+]1CCN(c2ccccc2N[C@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422921205 309376154 /nfs/dbraw/zinc/37/61/54/309376154.db2.gz NRIMHPMVADYCSH-QUCCMNQESA-N 2 0 336.483 3.385 10 0 EGAERP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@H]1OC ZINC000422945324 309377556 /nfs/dbraw/zinc/37/75/56/309377556.db2.gz UCNAORHEWKJWTD-AFYVEPGGSA-N 2 0 344.499 3.426 10 0 EGAERP COc1ccc([C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998224 309380250 /nfs/dbraw/zinc/38/02/50/309380250.db2.gz VZIGUNDPQUWGBX-PMACEKPBSA-N 2 0 345.531 3.341 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423005787 309380680 /nfs/dbraw/zinc/38/06/80/309380680.db2.gz STUSYAKMQSOKNS-CYBMUJFWSA-N 2 0 333.863 3.370 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423029216 309381767 /nfs/dbraw/zinc/38/17/67/309381767.db2.gz HSTOFZXTJFWOBK-AWEZNQCLSA-N 2 0 335.455 3.100 10 0 EGAERP [NH3+][C@H]1CCC[C@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093082 309385473 /nfs/dbraw/zinc/38/54/73/309385473.db2.gz FSJFIFOXWFAESN-LWWSYDQCSA-N 2 0 327.241 3.304 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423127783 309387235 /nfs/dbraw/zinc/38/72/35/309387235.db2.gz KAUIPLHVBSASHU-ADLFWFRXSA-N 2 0 328.431 3.335 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423127786 309387257 /nfs/dbraw/zinc/38/72/57/309387257.db2.gz KAUIPLHVBSASHU-QMIHWGKISA-N 2 0 328.431 3.335 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOCC1CCCC1 ZINC000423157368 309388655 /nfs/dbraw/zinc/38/86/55/309388655.db2.gz ARHULHGZDDFTQJ-ICSRJNTNSA-N 2 0 330.472 3.039 10 0 EGAERP COc1ccc([C@@H](NCCC[NH3+])c2ccccc2Cl)cc1OC ZINC000423184281 309389456 /nfs/dbraw/zinc/38/94/56/309389456.db2.gz IDVYTYIHMXUIDF-GOSISDBHSA-N 2 0 334.847 3.385 10 0 EGAERP COc1cc(C)c([C@@H](C)[NH2+]CCCNCc2cccnc2)cc1OC ZINC000423185550 309389465 /nfs/dbraw/zinc/38/94/65/309389465.db2.gz JNWNCFBFEQHMAE-MRXNPFEDSA-N 2 0 343.471 3.238 10 0 EGAERP Fc1ccc2c(c1)OCCC[C@H]2NCCC[NH2+]Cc1cccnc1 ZINC000423192260 309389895 /nfs/dbraw/zinc/38/98/95/309389895.db2.gz VANBJMJLHQITPP-GOSISDBHSA-N 2 0 329.419 3.204 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](N)c1ccc(C(C)C)cc1 ZINC000423232716 309391586 /nfs/dbraw/zinc/39/15/86/309391586.db2.gz CQZBUCMUCKXXDA-VLIAUNLRSA-N 3 0 326.488 3.323 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1cccc(Cl)c1 ZINC000423255039 309392503 /nfs/dbraw/zinc/39/25/03/309392503.db2.gz ANFHLCQRHPGEOG-HIFRSBDPSA-N 2 0 347.894 3.269 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423257108 309392669 /nfs/dbraw/zinc/39/26/69/309392669.db2.gz HMNOJKSIHXWRLO-ZIBCJSCZSA-N 3 0 327.516 3.161 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423276932 309393868 /nfs/dbraw/zinc/39/38/68/309393868.db2.gz NPQDGOPZYPZXQW-WHZJULEDSA-N 2 0 327.516 3.289 10 0 EGAERP C[C@@]1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000423333606 309395782 /nfs/dbraw/zinc/39/57/82/309395782.db2.gz HXYQENUDLKALIA-MXEMCNAFSA-N 2 0 327.516 3.161 10 0 EGAERP COCC1(C[NH2+][C@H]2CCCOc3ccc(Cl)cc32)CC[NH2+]CC1 ZINC000423395826 309398546 /nfs/dbraw/zinc/39/85/46/309398546.db2.gz AXMBFKVUUOPOGY-INIZCTEOSA-N 2 0 338.879 3.160 10 0 EGAERP COCC1(C[NH2+][C@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000423410953 309399001 /nfs/dbraw/zinc/39/90/01/309399001.db2.gz SRRABFCRAMVLAL-INIZCTEOSA-N 2 0 338.879 3.160 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438991077 309824181 /nfs/dbraw/zinc/82/41/81/309824181.db2.gz LUHSSRANHHFRAX-OAHLLOKOSA-N 2 0 347.503 3.426 10 0 EGAERP C[NH+]1CCC(C[NH2+]C2CCC(C(F)F)CC2)(N2CCCCC2)CC1 ZINC000442773244 309886879 /nfs/dbraw/zinc/88/68/79/309886879.db2.gz WWIAAWLYRMORKY-UHFFFAOYSA-N 2 0 343.506 3.350 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000447604053 309984150 /nfs/dbraw/zinc/98/41/50/309984150.db2.gz YJYYCBWWQZBXCM-UXHICEINSA-N 2 0 334.504 3.278 10 0 EGAERP CC[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+](CC)CC ZINC000447722218 309986705 /nfs/dbraw/zinc/98/67/05/309986705.db2.gz IWIBAUJCKSAFIS-IRXDYDNUSA-N 2 0 333.476 3.131 10 0 EGAERP CC(C)C(=O)NCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449061286 310033891 /nfs/dbraw/zinc/03/38/91/310033891.db2.gz IDMKIXXRWGUFNS-UHFFFAOYSA-N 2 0 325.541 3.027 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449075471 310035057 /nfs/dbraw/zinc/03/50/57/310035057.db2.gz RGTMVFDAEBWKQU-RBUKOAKNSA-N 2 0 331.548 3.402 10 0 EGAERP CS[C@@H](CO)[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449158926 310041104 /nfs/dbraw/zinc/04/11/04/310041104.db2.gz WERQLHYNQZPRIJ-HOCLYGCPSA-N 2 0 330.582 3.368 10 0 EGAERP CS[C@H](CO)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449158924 310041169 /nfs/dbraw/zinc/04/11/69/310041169.db2.gz WERQLHYNQZPRIJ-GDBMZVCRSA-N 2 0 330.582 3.368 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000449184851 310043032 /nfs/dbraw/zinc/04/30/32/310043032.db2.gz AKYUCEFCGIIRDA-JBYIUTFZSA-N 2 0 341.543 3.154 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)CC(C)(C)C)CC1 ZINC000449201083 310044125 /nfs/dbraw/zinc/04/41/25/310044125.db2.gz CMDLWNKPTMVIRX-FXAWDEMLSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@H]2CCO)CC1 ZINC000449261752 310048281 /nfs/dbraw/zinc/04/82/81/310048281.db2.gz FEFTVDVXZJCTOK-LMNJBCLMSA-N 2 0 330.516 3.223 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(CC)OC)CC1 ZINC000449478376 310065384 /nfs/dbraw/zinc/06/53/84/310065384.db2.gz RQUANUZJXNPYDG-HXUWFJFHSA-N 2 0 333.520 3.123 10 0 EGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449488242 310066349 /nfs/dbraw/zinc/06/63/49/310066349.db2.gz FCLPDYOEFRHWLS-AEFFLSMTSA-N 2 0 326.500 3.385 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCC[C@H](C)C2)CC1 ZINC000449508072 310067736 /nfs/dbraw/zinc/06/77/36/310067736.db2.gz GNTVLKRZNDZAJE-AITUJVMLSA-N 2 0 336.520 3.351 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000449720424 310082434 /nfs/dbraw/zinc/08/24/34/310082434.db2.gz IOBHAYLEHGVEBU-KRWDZBQOSA-N 2 0 332.532 3.469 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](CC/C=C/c3ccccc3)CC2)CC1 ZINC000450744008 310140455 /nfs/dbraw/zinc/14/04/55/310140455.db2.gz KHPXYNQMWRLOOO-UXBLZVDNSA-N 2 0 341.543 3.439 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)[C@H](C)C1 ZINC000453325049 310271057 /nfs/dbraw/zinc/27/10/57/310271057.db2.gz WKSTVZOWOHHXNU-ZRNYENFQSA-N 2 0 340.552 3.164 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474460187 310794111 /nfs/dbraw/zinc/79/41/11/310794111.db2.gz LOOJAJNANLDJGI-TZIWHRDSSA-N 2 0 331.548 3.432 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@H](C[NH3+])c1ccc2ccccc2c1 ZINC000516464915 312324816 /nfs/dbraw/zinc/32/48/16/312324816.db2.gz GXLNNNKEJSGOPJ-VQTJNVASSA-N 2 0 339.483 3.220 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000521322574 312541322 /nfs/dbraw/zinc/54/13/22/312541322.db2.gz XZULLXCHRAYHTF-QUCCMNQESA-N 2 0 333.564 3.328 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000521322573 312541360 /nfs/dbraw/zinc/54/13/60/312541360.db2.gz XZULLXCHRAYHTF-ICSRJNTNSA-N 2 0 333.564 3.328 10 0 EGAERP Cc1cncn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000528025762 313002440 /nfs/dbraw/zinc/00/24/40/313002440.db2.gz BIOVKSMEFASIIH-OAHLLOKOSA-N 2 0 326.444 3.062 10 0 EGAERP Cc1cc([C@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000538099437 314226945 /nfs/dbraw/zinc/22/69/45/314226945.db2.gz YYKBKTGTMYYLHU-FOIQADDNSA-N 2 0 333.495 3.058 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@H]1c1c(C)n[nH]c1C ZINC000563482365 316027496 /nfs/dbraw/zinc/02/74/96/316027496.db2.gz KDNRHFVPCBUOMM-SFHVURJKSA-N 2 0 336.443 3.253 10 0 EGAERP Cc1cccc2c1ccnc2NCc1ccc(N2CCOCC2)nc1 ZINC000571321114 317182677 /nfs/dbraw/zinc/18/26/77/317182677.db2.gz RNMQYYWUGMXHSZ-UHFFFAOYSA-N 2 0 334.423 3.387 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CC(C)=C[C@@H](C)C3)cn2)CC1 ZINC000571334821 317184510 /nfs/dbraw/zinc/18/45/10/317184510.db2.gz UODOYPIQRMGNAV-XLIONFOSSA-N 2 0 342.531 3.306 10 0 EGAERP C[N@@H+](Cc1ccc2c(c1)C[NH2+]CC2)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000382756390 324254099 /nfs/dbraw/zinc/25/40/99/324254099.db2.gz OXFCJQXEVUFLGS-OAQYLSRUSA-N 3 0 349.522 3.286 10 0 EGAERP Cc1cccc(C[NH+](CC[C@@H]2CCC[NH2+]C2)Cc2cccc(C)n2)n1 ZINC000579250431 325084725 /nfs/dbraw/zinc/08/47/25/325084725.db2.gz XBNQSSHDGLWMJG-IBGZPJMESA-N 2 0 338.499 3.485 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCOC2(CCC2)C1 ZINC000580992503 325318221 /nfs/dbraw/zinc/31/82/21/325318221.db2.gz YYTVCOHWGNNYSN-INIZCTEOSA-N 2 0 326.444 3.015 10 0 EGAERP c1cc(Oc2ccccc2)oc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000180795839 455247019 /nfs/dbraw/zinc/24/70/19/455247019.db2.gz PNFAKBBMBLAHGI-UHFFFAOYSA-N 2 0 330.428 3.274 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)CCc2cccc(F)c2)CC1 ZINC000183278628 455268525 /nfs/dbraw/zinc/26/85/25/455268525.db2.gz IXMMSUIXZQPJOP-DLBZAZTESA-N 2 0 336.495 3.171 10 0 EGAERP CN(C)c1c(C[NH2+]C2CCC(C[NH+](C)C)CC2)ccc(F)c1F ZINC000623470547 460566965 /nfs/dbraw/zinc/56/69/65/460566965.db2.gz PCNWMXJSDOHCNC-UHFFFAOYSA-N 2 0 325.447 3.241 10 0 EGAERP C[C@@H]1[C@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513093 454157255 /nfs/dbraw/zinc/15/72/55/454157255.db2.gz PTFVWTCJMQBSQT-VQIMIIECSA-N 2 0 343.515 3.029 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@@H]1C ZINC000090773290 454339023 /nfs/dbraw/zinc/33/90/23/454339023.db2.gz NLLVVLQIZOEYSY-TYPHKJRUSA-N 2 0 344.547 3.002 10 0 EGAERP Cc1cccc2c1C[C@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)CO2 ZINC000623607498 460637337 /nfs/dbraw/zinc/63/73/37/460637337.db2.gz HUNZNHLBHSLNRU-SFHVURJKSA-N 2 0 340.467 3.029 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(n2cc(C[N@@H+]3CCCC3(C)C)nn2)CC1 ZINC000048297779 454468793 /nfs/dbraw/zinc/46/87/93/454468793.db2.gz DMGXKJLCRSRQQJ-MRXNPFEDSA-N 2 0 333.524 3.336 10 0 EGAERP CC[NH+](CC)[C@@H](C)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000101641203 454479236 /nfs/dbraw/zinc/47/92/36/454479236.db2.gz HLLWAKPIYXWSRI-KRWDZBQOSA-N 2 0 333.520 3.377 10 0 EGAERP C[NH+](C)Cc1ccccc1C[NH2+]Cc1cnc(-c2ccccc2)nc1 ZINC000048684545 454507493 /nfs/dbraw/zinc/50/74/93/454507493.db2.gz UNDRDTUYMBYBLY-UHFFFAOYSA-N 2 0 332.451 3.495 10 0 EGAERP COc1cc(OC)c(OC)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134213838 454517720 /nfs/dbraw/zinc/51/77/20/454517720.db2.gz QCMSFJOFYZXDPN-UHFFFAOYSA-N 2 0 348.487 3.020 10 0 EGAERP CCN(Cc1ccccc1)C(=O)C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000123185659 454611762 /nfs/dbraw/zinc/61/17/62/454611762.db2.gz SALKJXIJNRYUEJ-UHFFFAOYSA-N 2 0 345.531 3.089 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123609694 454657245 /nfs/dbraw/zinc/65/72/45/454657245.db2.gz DGNLURGSJCAYBP-ROUUACIJSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000081096797 454687140 /nfs/dbraw/zinc/68/71/40/454687140.db2.gz VFJQAULGJMGZJF-PBHICJAKSA-N 2 0 344.455 3.382 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000163271314 454835287 /nfs/dbraw/zinc/83/52/87/454835287.db2.gz YZNJOOAVUOVPRG-QGZVFWFLSA-N 2 0 335.923 3.236 10 0 EGAERP COc1ccc(OCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246408081 455485500 /nfs/dbraw/zinc/48/55/00/455485500.db2.gz BIGIPANUCLNFQE-OXJNMPFZSA-N 2 0 330.472 3.023 10 0 EGAERP C[C@@H](CNCc1ccc(Br)c(F)c1)C[NH+]1CCCC1 ZINC000127404244 454961204 /nfs/dbraw/zinc/96/12/04/454961204.db2.gz KIQYBQWZVGNCPY-LBPRGKRZSA-N 2 0 329.257 3.410 10 0 EGAERP COc1cc(CN(C)C[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000180080333 455128864 /nfs/dbraw/zinc/12/88/64/455128864.db2.gz SFGVJZHXUOQOTL-LJQANCHMSA-N 2 0 340.467 3.355 10 0 EGAERP C[C@H](CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C1CC1 ZINC000180137959 455138175 /nfs/dbraw/zinc/13/81/75/455138175.db2.gz HLABVCPMWARIRF-TYGFWLQKSA-N 2 0 327.516 3.254 10 0 EGAERP C[NH+](C)CCC1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000264852987 455292506 /nfs/dbraw/zinc/29/25/06/455292506.db2.gz CHWNDDGURHOZSP-UHFFFAOYSA-N 2 0 343.515 3.086 10 0 EGAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245717336 455362417 /nfs/dbraw/zinc/36/24/17/455362417.db2.gz OFEVWWDJVWDOJD-SSSFQFABSA-N 2 0 328.500 3.323 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000245746799 455372214 /nfs/dbraw/zinc/37/22/14/455372214.db2.gz SRDOTJUQADLQDH-BLKABHOGSA-N 2 0 339.527 3.256 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C)[C@H](C)C2)cc1 ZINC000265919025 455406723 /nfs/dbraw/zinc/40/67/23/455406723.db2.gz BOYYSAGWXLJDJL-YLJYHZDGSA-N 2 0 345.531 3.473 10 0 EGAERP C([NH+]1C[C@@H]2CCCC[C@H]2C1)C1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219966 455464827 /nfs/dbraw/zinc/46/48/27/455464827.db2.gz KQQJUBWPYMADRW-LWYYNNOASA-N 2 0 332.532 3.247 10 0 EGAERP Clc1cccc(-c2noc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)c1 ZINC000246361952 455477434 /nfs/dbraw/zinc/47/74/34/455477434.db2.gz IPWJNCOUKFAHGY-CVEARBPZSA-N 2 0 346.862 3.149 10 0 EGAERP CC[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3C)CC2)[C@@H](C)C1 ZINC000247205048 455573479 /nfs/dbraw/zinc/57/34/79/455573479.db2.gz WOLGFSLPPZEUFC-RXVVDRJESA-N 2 0 329.532 3.279 10 0 EGAERP Cc1nn(C)c(C)c1C[NH+]1CCN(c2cc[nH+]c3ccc(C)cc32)CC1 ZINC000185646041 455589272 /nfs/dbraw/zinc/58/92/72/455589272.db2.gz RKECBSQHOWEIBH-UHFFFAOYSA-N 2 0 349.482 3.216 10 0 EGAERP COc1cccc(-c2nc(CN3CC[C@@]4(CC[N@H+](C)C4)C3)cs2)c1 ZINC000292241802 455605917 /nfs/dbraw/zinc/60/59/17/455605917.db2.gz WVPPLRZZOHLTTA-LJQANCHMSA-N 2 0 343.496 3.346 10 0 EGAERP Cc1cc(-c2noc([C@H](C)N3CC[C@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245457 455607466 /nfs/dbraw/zinc/60/74/66/455607466.db2.gz XFFMZIATKDLWRR-LIRRHRJNSA-N 2 0 344.434 3.273 10 0 EGAERP CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@]1(C)CC[NH2+]C1 ZINC000261885280 455964721 /nfs/dbraw/zinc/96/47/21/455964721.db2.gz RVZNGOOYOWWULT-MRXNPFEDSA-N 2 0 344.286 3.253 10 0 EGAERP COc1ccc(CC[N@H+](CC(C)C)C[C@]2(C)CC[NH2+]C2)cc1OC ZINC000262042060 455989540 /nfs/dbraw/zinc/98/95/40/455989540.db2.gz PFNZOVUEBJRIDS-HXUWFJFHSA-N 2 0 334.504 3.204 10 0 EGAERP CC1(C)CCC[NH2+][C@H]1C(=O)NCc1ccc(C[NH+]2CCCCC2)cc1 ZINC000262119705 456000798 /nfs/dbraw/zinc/00/07/98/456000798.db2.gz BWXQOWFAUQZXHU-IBGZPJMESA-N 2 0 343.515 3.067 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000272688713 456039763 /nfs/dbraw/zinc/03/97/63/456039763.db2.gz OZLWRFBMXLFJOE-QHAWAJNXSA-N 3 0 329.532 3.219 10 0 EGAERP CO[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000188309461 456040970 /nfs/dbraw/zinc/04/09/70/456040970.db2.gz IHKBPJMWKWQVDX-UTKZUKDTSA-N 2 0 345.531 3.074 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000280743325 456043751 /nfs/dbraw/zinc/04/37/51/456043751.db2.gz ORZILDYBBADBJA-GUYCJALGSA-N 2 0 329.419 3.303 10 0 EGAERP CC(=O)N1CC[C@H]([NH2+]CCC[N@H+]2CCC[C@@H](C)C2)c2ccccc2C1 ZINC000222197557 456046589 /nfs/dbraw/zinc/04/65/89/456046589.db2.gz PRTMOXDYVKZOMO-UTKZUKDTSA-N 2 0 343.515 3.192 10 0 EGAERP CC[C@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648603 456103925 /nfs/dbraw/zinc/10/39/25/456103925.db2.gz ISNYFQDBYHKOQW-IRXDYDNUSA-N 2 0 339.524 3.238 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(F)ccc2Cl)CC1 ZINC000188958198 456182416 /nfs/dbraw/zinc/18/24/16/456182416.db2.gz RMAMTKYCOFHCQE-ZDUSSCGKSA-N 2 0 328.859 3.004 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CNCC[N@H+](C)[C@H](C)CC)CC1 ZINC000236783280 456183314 /nfs/dbraw/zinc/18/33/14/456183314.db2.gz ALUBVCBTRFCLSZ-LJQANCHMSA-N 2 0 346.563 3.039 10 0 EGAERP CCc1nnc(CN[C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174877 456200915 /nfs/dbraw/zinc/20/09/15/456200915.db2.gz PKAOBSBATSBUAB-ZBFHGGJFSA-N 2 0 330.501 3.101 10 0 EGAERP COc1ccc(CN(C)[C@@H]2CC[N@H+](C)[C@H](C)C2)c(Br)c1 ZINC000289999591 456212622 /nfs/dbraw/zinc/21/26/22/456212622.db2.gz LAHBUMXAYAIIQK-TZMCWYRMSA-N 2 0 341.293 3.372 10 0 EGAERP OC[C@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000290240264 456272892 /nfs/dbraw/zinc/27/28/92/456272892.db2.gz SOXGHUXQXZFDSG-BURNTYAHSA-N 2 0 328.500 3.323 10 0 EGAERP OC[C@@H]([NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000290240266 456273030 /nfs/dbraw/zinc/27/30/30/456273030.db2.gz SOXGHUXQXZFDSG-MXEMCNAFSA-N 2 0 328.500 3.323 10 0 EGAERP OC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000290240271 456273149 /nfs/dbraw/zinc/27/31/49/456273149.db2.gz SOXGHUXQXZFDSG-WOZUAGRISA-N 2 0 328.500 3.323 10 0 EGAERP CC(C)Oc1ccncc1COC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290337287 456297858 /nfs/dbraw/zinc/29/78/58/456297858.db2.gz KADNEJRKFJFOBZ-GOSISDBHSA-N 2 0 338.423 3.125 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000352821876 456335865 /nfs/dbraw/zinc/33/58/65/456335865.db2.gz BLEOZKOURKHEAG-LPHOPBHVSA-N 2 0 343.515 3.060 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823506 456339976 /nfs/dbraw/zinc/33/99/76/456339976.db2.gz NPSWDTIJGVPFDC-AZUAARDMSA-N 2 0 342.531 3.176 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(-c3cnn(C)c3)s2)CC1 ZINC000282190077 456438589 /nfs/dbraw/zinc/43/85/89/456438589.db2.gz HFKRCCHXPGVWCF-UHFFFAOYSA-N 2 0 332.517 3.360 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(-n3ccnn3)c2)CC1 ZINC000348121088 456497786 /nfs/dbraw/zinc/49/77/86/456497786.db2.gz QSHVITAGVMUJIU-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP CC(C)[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282453432 456519361 /nfs/dbraw/zinc/51/93/61/456519361.db2.gz VEJKESMOCWCKSA-GOSISDBHSA-N 2 0 339.474 3.278 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(O[C@@H]2CCOC2)c1 ZINC000353407918 456682159 /nfs/dbraw/zinc/68/21/59/456682159.db2.gz SWSXFOCCOWAVFY-IYWMVGAKSA-N 2 0 344.499 3.125 10 0 EGAERP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C4CC4)C3)c2cc1OC ZINC000326166982 456690464 /nfs/dbraw/zinc/69/04/64/456690464.db2.gz WUKYWZWNBVLREB-ZDUSSCGKSA-N 2 0 327.428 3.148 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@@H]32)[NH+]2CCCC2)o1 ZINC000353494362 456713139 /nfs/dbraw/zinc/71/31/39/456713139.db2.gz BOYVXNJVCITSCN-YRXWBPOGSA-N 2 0 331.504 3.187 10 0 EGAERP COC1(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCC1 ZINC000277217590 456729233 /nfs/dbraw/zinc/72/92/33/456729233.db2.gz XEKSRXLRPAAAHD-FXAWDEMLSA-N 2 0 346.515 3.081 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353523226 456735283 /nfs/dbraw/zinc/73/52/83/456735283.db2.gz XMLAMSCEDAAYGG-WYNBGMTASA-N 2 0 329.532 3.359 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC)cc2)[C@@H](C)C1 ZINC000339097599 456939575 /nfs/dbraw/zinc/93/95/75/456939575.db2.gz YTILKCRZXDQJHS-PXNSSMCTSA-N 2 0 334.504 3.060 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCC2 ZINC000347201099 457285509 /nfs/dbraw/zinc/28/55/09/457285509.db2.gz DXLNGWYGLUMVBV-UXHICEINSA-N 2 0 345.531 3.055 10 0 EGAERP OC1(C[NH2+]Cc2ccc(Cl)cc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397633845 457489790 /nfs/dbraw/zinc/48/97/90/457489790.db2.gz OTSSVOXXZSUSKQ-UHFFFAOYSA-N 2 0 344.886 3.457 10 0 EGAERP COC(=O)c1ccccc1CC1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000361407110 457720792 /nfs/dbraw/zinc/72/07/92/457720792.db2.gz CJQXJIIQFBZBDS-LJQANCHMSA-N 2 0 344.499 3.212 10 0 EGAERP C[C@@H](CC[NH+](C)C[C@@H]1CCCCO1)CC[N@H+](C)C[C@H]1CCCCO1 ZINC000411183207 457823858 /nfs/dbraw/zinc/82/38/58/457823858.db2.gz CSRCEPPWJILUFT-OWZKRDHZSA-N 2 0 340.552 3.405 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[S@@](C)=O ZINC000358566107 458081045 /nfs/dbraw/zinc/08/10/45/458081045.db2.gz IFWANRRZSDSPMY-KCIRWWNTSA-N 2 0 348.556 3.034 10 0 EGAERP CC[N@H+](C)Cc1cccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)c1 ZINC000358605238 458104868 /nfs/dbraw/zinc/10/48/68/458104868.db2.gz UALBIJUEHHXVEA-UHFFFAOYSA-N 2 0 345.531 3.267 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000375897473 458113758 /nfs/dbraw/zinc/11/37/58/458113758.db2.gz HZXBPGCOGMJXLH-UFYCRDLUSA-N 2 0 344.499 3.363 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@](C)(c3ccc(F)cc3)C2)CC1 ZINC000375954103 458137297 /nfs/dbraw/zinc/13/72/97/458137297.db2.gz LKWLGYWJJKRQIU-NRFANRHFSA-N 2 0 347.522 3.205 10 0 EGAERP C[NH+](C)CCc1ccccc1NC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000446586162 458200492 /nfs/dbraw/zinc/20/04/92/458200492.db2.gz MXBNJKAIEPCJHI-UHFFFAOYSA-N 2 0 346.519 3.033 10 0 EGAERP C[NH+]1CCC2(CCC[N@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000369721507 458325983 /nfs/dbraw/zinc/32/59/83/458325983.db2.gz NKMZVOCDQWFGDP-UHFFFAOYSA-N 2 0 338.499 3.239 10 0 EGAERP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459656801 458437597 /nfs/dbraw/zinc/43/75/97/458437597.db2.gz HEOJAJZCCHTSHI-NVXWUHKLSA-N 2 0 329.444 3.326 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000423483573 458439939 /nfs/dbraw/zinc/43/99/39/458439939.db2.gz QHCLKYXHVGRKNF-MKXGPGLRSA-N 2 0 349.469 3.016 10 0 EGAERP Cc1ccc(C)c2c1CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423504359 458444466 /nfs/dbraw/zinc/44/44/66/458444466.db2.gz GWUPLXPQRRLRPY-GZNCHQMQSA-N 2 0 341.543 3.487 10 0 EGAERP COc1ccccc1C[C@@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423522335 458450862 /nfs/dbraw/zinc/45/08/62/458450862.db2.gz HBGFRAUZCVHFNF-WPIBWQAYSA-N 2 0 328.500 3.369 10 0 EGAERP COc1ccc2c(c1)[C@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CC2 ZINC000423526530 458450999 /nfs/dbraw/zinc/45/09/99/458450999.db2.gz LNQCQEMNYQLNNC-CKPBLNSZSA-N 2 0 326.484 3.426 10 0 EGAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578718 458458203 /nfs/dbraw/zinc/45/82/03/458458203.db2.gz UVRDBGVIPJSYTO-AABGKKOBSA-N 2 0 327.516 3.148 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1CCC([NH3+])CC1 ZINC000437778835 458491720 /nfs/dbraw/zinc/49/17/20/458491720.db2.gz ULXNAQUXVQQXCN-GWMXKSKGSA-N 2 0 329.257 3.379 10 0 EGAERP COC[C@@H]1CCC[NH+]([C@H](C)CC[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452110803 458495392 /nfs/dbraw/zinc/49/53/92/458495392.db2.gz ZZXOUMNMNWHODZ-VAMGGRTRSA-N 2 0 340.552 3.262 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@H](C)C1 ZINC000373482720 458504937 /nfs/dbraw/zinc/50/49/37/458504937.db2.gz HGXVBNTWAUGRRR-LHUBUQBQSA-N 2 0 347.469 3.112 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000431600623 458594965 /nfs/dbraw/zinc/59/49/65/458594965.db2.gz QCUOZQVJCBUJGF-HXUWFJFHSA-N 2 0 343.515 3.163 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC[NH+](CC2CCCCC2)CC1 ZINC000431721627 458612162 /nfs/dbraw/zinc/61/21/62/458612162.db2.gz IJGTURYMQUYYGP-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]CCC[N@H+](C)C(C)C)CC3 ZINC000546604059 458642625 /nfs/dbraw/zinc/64/26/25/458642625.db2.gz GPQDBVRJCQMYSW-OAHLLOKOSA-N 2 0 329.488 3.354 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H]2CCCC[C@H]2C(F)(F)F)CC1 ZINC000463451664 458702374 /nfs/dbraw/zinc/70/23/74/458702374.db2.gz WUANNDIKAQTFRZ-SJORKVTESA-N 2 0 349.485 3.455 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)[C@H]3CCC[C@H]32)cc1 ZINC000530217225 458720546 /nfs/dbraw/zinc/72/05/46/458720546.db2.gz SJNRGUQCOSCOSF-PLACYPQZSA-N 2 0 339.527 3.304 10 0 EGAERP CN(CCC(=O)NC(C)(C)CC[NH+]1CCCCCC1)c1cc[nH+]cc1 ZINC000547502066 458751850 /nfs/dbraw/zinc/75/18/50/458751850.db2.gz FZJIJNQGTFCNIT-UHFFFAOYSA-N 2 0 346.519 3.069 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)C1 ZINC000494888363 458762121 /nfs/dbraw/zinc/76/21/21/458762121.db2.gz YLEFXPVCUZOKSF-QFBILLFUSA-N 2 0 343.515 3.065 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518183564 458847665 /nfs/dbraw/zinc/84/76/65/458847665.db2.gz HXUOYPCEIZYGMC-LMNJBCLMSA-N 2 0 339.527 3.256 10 0 EGAERP CC(C)C[C@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000474735509 458898799 /nfs/dbraw/zinc/89/87/99/458898799.db2.gz XZIWUBUSGGZLOX-PZJWPPBQSA-N 2 0 331.548 3.289 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000475336533 458936658 /nfs/dbraw/zinc/93/66/58/458936658.db2.gz SPJFOWNGUKCQAI-UIFIKXQLSA-N 2 0 330.516 3.428 10 0 EGAERP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)[NH+](C)C)cc1 ZINC000556259936 458942783 /nfs/dbraw/zinc/94/27/83/458942783.db2.gz GBAHJJBTJNWRLH-ZRNYENFQSA-N 2 0 347.572 3.474 10 0 EGAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)c1 ZINC000531693275 458963173 /nfs/dbraw/zinc/96/31/73/458963173.db2.gz BILDPMJEZCFCBK-OAHLLOKOSA-N 2 0 345.487 3.019 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000566659192 458977274 /nfs/dbraw/zinc/97/72/74/458977274.db2.gz RWYZFIOOMVNCRY-UHFFFAOYSA-N 2 0 326.488 3.425 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@H]2CCC[C@H]21 ZINC000556872415 459025014 /nfs/dbraw/zinc/02/50/14/459025014.db2.gz ZXPGEEOEUXFNAN-HSALFYBXSA-N 3 0 347.572 3.423 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccc(C)o2)CC1 ZINC000532296000 459061812 /nfs/dbraw/zinc/06/18/12/459061812.db2.gz BJFPFYFPTBGZHT-UHFFFAOYSA-N 2 0 341.499 3.452 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000594498941 459064040 /nfs/dbraw/zinc/06/40/40/459064040.db2.gz DHPWDJCJBUXRJM-HXUWFJFHSA-N 2 0 342.483 3.315 10 0 EGAERP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@@H]2C2CCC2)c2ccccc2)CC1 ZINC000558696289 459199076 /nfs/dbraw/zinc/19/90/76/459199076.db2.gz DFUDFBNCYQAMEN-NJYVYQBISA-N 2 0 327.516 3.143 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCN(C[C@@H]3CCCC[N@H+]3C)CC2)c(C)c1 ZINC000522549995 459248598 /nfs/dbraw/zinc/24/85/98/459248598.db2.gz ZZHHAXQPOFQTNG-FQEVSTJZSA-N 2 0 329.532 3.214 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000482893742 459330345 /nfs/dbraw/zinc/33/03/45/459330345.db2.gz CAFOLQXBEKGEML-NRSPTQNISA-N 2 0 329.532 3.361 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000591432785 459379479 /nfs/dbraw/zinc/37/94/79/459379479.db2.gz OQOGOPHFFWBMCO-HXUWFJFHSA-N 2 0 345.531 3.450 10 0 EGAERP CN(CC[N@H+](C)[C@H]1CC[C@@](C)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000561395438 459450263 /nfs/dbraw/zinc/45/02/63/459450263.db2.gz FLWJIYZSWXJGTE-FCHUYYIVSA-N 2 0 343.559 3.455 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000569940865 459536549 /nfs/dbraw/zinc/53/65/49/459536549.db2.gz IYBIOPXDJIMBTO-MHRLRVJTSA-N 2 0 341.421 3.099 10 0 EGAERP COCCOCc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1 ZINC000527751056 459725724 /nfs/dbraw/zinc/72/57/24/459725724.db2.gz FKJYUQMRGUYGBT-NRFANRHFSA-N 2 0 346.515 3.346 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOC[C@H]2CCCO2)CC1 ZINC000574268135 459798576 /nfs/dbraw/zinc/79/85/76/459798576.db2.gz VHARUTBNFJDOFM-GOSISDBHSA-N 2 0 340.552 3.451 10 0 EGAERP CC(C)(C)OC(=O)C1(C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)CCC1 ZINC000597240349 459891096 /nfs/dbraw/zinc/89/10/96/459891096.db2.gz WCUNLPSYIICSSW-UHFFFAOYSA-N 2 0 345.487 3.152 10 0 EGAERP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775703 460059275 /nfs/dbraw/zinc/05/92/75/460059275.db2.gz WXZSBTPKCYBWBX-UXHICEINSA-N 2 0 339.483 3.262 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C(=O)OC(C)(C)C)cc1)C1CC[NH+](C)CC1 ZINC000610827958 460244411 /nfs/dbraw/zinc/24/44/11/460244411.db2.gz UZKGUPMASLFNDQ-OAHLLOKOSA-N 2 0 332.488 3.462 10 0 EGAERP C(=C/C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2)\C[NH+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625777032 460261905 /nfs/dbraw/zinc/26/19/05/460261905.db2.gz XBRGTANPEAPRTG-BXNQOPRTSA-N 2 0 338.586 3.482 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12)C1CC[NH+](C)CC1 ZINC000631659269 460493244 /nfs/dbraw/zinc/49/32/44/460493244.db2.gz AUESTAMGXZUHAO-DRCJMICCSA-N 2 0 349.316 3.407 10 0 EGAERP C[C@@H]([NH2+][C@@H](CCO)c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000631660696 460494551 /nfs/dbraw/zinc/49/45/51/460494551.db2.gz GEWZMJSZPJAVOA-PXAZEXFGSA-N 2 0 328.859 3.223 10 0 EGAERP C[C@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000631660701 460494866 /nfs/dbraw/zinc/49/48/66/460494866.db2.gz GEWZMJSZPJAVOA-YVEFUNNKSA-N 2 0 328.859 3.223 10 0 EGAERP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OCC ZINC000623338055 460496424 /nfs/dbraw/zinc/49/64/24/460496424.db2.gz IODOQKDDUZFDGA-QGZVFWFLSA-N 2 0 334.504 3.489 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355038 460507984 /nfs/dbraw/zinc/50/79/84/460507984.db2.gz VOXFURYLDZCXDM-PMACEKPBSA-N 2 0 331.548 3.402 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@@H]3CCCCO3)CC2)cc1 ZINC000623879267 460758810 /nfs/dbraw/zinc/75/88/10/460758810.db2.gz BSRZHWALMQDADU-UTKZUKDTSA-N 2 0 346.515 3.454 10 0 EGAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629520464 460792420 /nfs/dbraw/zinc/79/24/20/460792420.db2.gz WICMCPXDHSJVIX-RZQQEMMASA-N 2 0 337.467 3.099 10 0 EGAERP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[NH2+]1 ZINC000629535069 460798691 /nfs/dbraw/zinc/79/86/91/460798691.db2.gz BNZVAHJUTNMLBM-BVJIBDCISA-N 2 0 327.516 3.017 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000629540027 460800577 /nfs/dbraw/zinc/80/05/77/460800577.db2.gz RWRNXINLHWONSL-JKSUJKDBSA-N 2 0 330.394 3.297 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccc(F)cc1C(F)(F)F ZINC000623991963 460813042 /nfs/dbraw/zinc/81/30/42/460813042.db2.gz XFLQPQMHIVSXQL-GXTWGEPZSA-N 2 0 348.384 3.342 10 0 EGAERP C[C@@]1(C[NH+]2CCC(Cc3nc(C4CCCCC4)no3)CC2)CC[NH2+]C1 ZINC000629649778 460845395 /nfs/dbraw/zinc/84/53/95/460845395.db2.gz GITMJGBJBIRCNF-HXUWFJFHSA-N 2 0 346.519 3.371 10 0 EGAERP C[C@@]1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCCS1 ZINC000628236641 461057493 /nfs/dbraw/zinc/05/74/93/461057493.db2.gz JPTVUFXGZFMRLJ-MOPGFXCFSA-N 2 0 334.529 3.019 10 0 EGAERP c1ccc(N2CC[C@H](C[NH+]3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000637905669 461117794 /nfs/dbraw/zinc/11/77/94/461117794.db2.gz NHUIWQMEDBMVSV-HXUWFJFHSA-N 2 0 327.516 3.321 10 0 EGAERP CC[N@H+](Cc1ccc(OC)c(OC)c1)Cc1cccc2c1CC[NH2+]C2 ZINC000662249481 461142004 /nfs/dbraw/zinc/14/20/04/461142004.db2.gz VDTJKWVCHFFXCB-UHFFFAOYSA-N 2 0 340.467 3.372 10 0 EGAERP Fc1ccc(CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)cc1 ZINC000662257783 461148548 /nfs/dbraw/zinc/14/85/48/461148548.db2.gz GKAVMPAUODOLCY-LJQANCHMSA-N 2 0 332.463 3.134 10 0 EGAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662455054 461249247 /nfs/dbraw/zinc/24/92/47/461249247.db2.gz UKJPPSQGTIDHJO-QFBILLFUSA-N 2 0 343.515 3.238 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+]Cc3cc4n(n3)CCCC4)CC2)c1 ZINC000655722773 461391648 /nfs/dbraw/zinc/39/16/48/461391648.db2.gz IGBZNWDIXPNFMG-UHFFFAOYSA-N 2 0 344.528 3.283 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](CNc2ncnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642105159 461446910 /nfs/dbraw/zinc/44/69/10/461446910.db2.gz MSOPDZCJBRJOLF-GFCCVEGCSA-N 2 0 327.407 3.392 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000655804458 461464145 /nfs/dbraw/zinc/46/41/45/461464145.db2.gz ZCBQDCCEPMUSMH-JFGNBEQYSA-N 2 0 329.307 3.428 10 0 EGAERP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804052 461464520 /nfs/dbraw/zinc/46/45/20/461464520.db2.gz NHTDKVKXUPGFPM-SLEUVZQESA-N 2 0 343.284 3.449 10 0 EGAERP COc1cc(OC)c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655805661 461466193 /nfs/dbraw/zinc/46/61/93/461466193.db2.gz JWMSWOKWZOLCCT-UPJWGTAASA-N 2 0 326.868 3.348 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631065543 461516259 /nfs/dbraw/zinc/51/62/59/461516259.db2.gz WYVSVFPSDFWBRH-UHFFFAOYSA-N 2 0 335.879 3.203 10 0 EGAERP Cc1ncc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000666234733 461522357 /nfs/dbraw/zinc/52/23/57/461522357.db2.gz OYSBYLSWBRXEFA-HNNXBMFYSA-N 2 0 345.512 3.129 10 0 EGAERP CC[N@H+](C[C@@H](OC)C1CCC1)CC1CCN(c2ccccn2)CC1 ZINC000659973373 461524603 /nfs/dbraw/zinc/52/46/03/461524603.db2.gz PJDZMNLWRJNUEL-LJQANCHMSA-N 2 0 331.504 3.435 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000655939480 461546762 /nfs/dbraw/zinc/54/67/62/461546762.db2.gz IASSVMUTRNRJIP-CLCXKQKWSA-N 2 0 338.442 3.116 10 0 EGAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000660074557 461571412 /nfs/dbraw/zinc/57/14/12/461571412.db2.gz PIGCHMIEFHIXFT-CEMLEFRQSA-N 2 0 341.543 3.282 10 0 EGAERP c1cn(-c2csc(C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)c2)cn1 ZINC000663345908 461573206 /nfs/dbraw/zinc/57/32/06/461573206.db2.gz OLXQAWNQRPVJSV-MRXNPFEDSA-N 2 0 330.501 3.145 10 0 EGAERP CN(C(=O)CC[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccccc1 ZINC000663359653 461587355 /nfs/dbraw/zinc/58/73/55/461587355.db2.gz OGAQDYHERIDXNK-UHFFFAOYSA-N 2 0 343.446 3.030 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]C[C@@H]2CCOc3ccccc32)[C@H](c2ccccc2)C1 ZINC000647249103 461589089 /nfs/dbraw/zinc/58/90/89/461589089.db2.gz BHRFVLDHQWSSBY-ZVDOUQERSA-N 2 0 336.479 3.488 10 0 EGAERP CC(C)C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000647290037 461614501 /nfs/dbraw/zinc/61/45/01/461614501.db2.gz TZDBDFKGMLSBGR-XLIONFOSSA-N 2 0 331.504 3.259 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CC2(O)CCSCC2)CC1)CC1CC1 ZINC000660167989 461617613 /nfs/dbraw/zinc/61/76/13/461617613.db2.gz BQZOVDXNTHNFQH-UHFFFAOYSA-N 2 0 340.577 3.079 10 0 EGAERP C[C@@H]1C[C@H](C[N@@H+]2CCOc3cccc(Br)c3C2)CC[NH2+]1 ZINC000656194028 461640928 /nfs/dbraw/zinc/64/09/28/461640928.db2.gz BVVOLAVJDOSLBO-CHWSQXEVSA-N 2 0 339.277 3.032 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3C[N@H+](C)C[C@H]3c3ccccc3)C[C@H]2C1 ZINC000647344165 461648489 /nfs/dbraw/zinc/64/84/89/461648489.db2.gz KQZBNSMDMJOGNW-ZPLOVTKXSA-N 2 0 328.500 3.125 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000663504333 461676444 /nfs/dbraw/zinc/67/64/44/461676444.db2.gz ZRXWGBAXYWKSJD-TZMCWYRMSA-N 2 0 345.409 3.386 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@@H](C)CC2CCCCC2)CC1 ZINC000663506875 461678584 /nfs/dbraw/zinc/67/85/84/461678584.db2.gz WRRQLHVOCDSKBX-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480402 461726750 /nfs/dbraw/zinc/72/67/50/461726750.db2.gz MHSBACBUFSYVGY-ICSRJNTNSA-N 2 0 332.488 3.066 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1ccc(OC)cc1 ZINC000643456702 461732216 /nfs/dbraw/zinc/73/22/16/461732216.db2.gz FMJJIPVKOHMTFA-UYAOXDASSA-N 2 0 328.456 3.128 10 0 EGAERP CCOc1ccc([C@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000669691879 461768329 /nfs/dbraw/zinc/76/83/29/461768329.db2.gz WANVKBVWSZTWPC-SFHVURJKSA-N 2 0 333.520 3.152 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)c(OC)cc1SC ZINC000650719020 461911072 /nfs/dbraw/zinc/91/10/72/461911072.db2.gz AHHAVZBDDXFATK-UHFFFAOYSA-N 2 0 346.496 3.435 10 0 EGAERP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)cc2cccnc12 ZINC000650723517 461916090 /nfs/dbraw/zinc/91/60/90/461916090.db2.gz PMTPGQLSJMLUIM-XUVXKRRUSA-N 2 0 339.483 3.404 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000648009983 461937409 /nfs/dbraw/zinc/93/74/09/461937409.db2.gz FZLXNFTUESNNIG-PBHICJAKSA-N 2 0 330.476 3.151 10 0 EGAERP O[C@H](C[NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545360 461980227 /nfs/dbraw/zinc/98/02/27/461980227.db2.gz LFSCOKKIQLVVMJ-RTWAWAEBSA-N 2 0 330.516 3.082 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657313853 462037756 /nfs/dbraw/zinc/03/77/56/462037756.db2.gz VXUAVOAIDCGJFD-ZIAGYGMSSA-N 2 0 346.441 3.287 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657326100 462048356 /nfs/dbraw/zinc/04/83/56/462048356.db2.gz TTZNCJVMJHCSFI-CALCHBBNSA-N 2 0 341.503 3.113 10 0 EGAERP COC[C@H](C)Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000667501742 462115834 /nfs/dbraw/zinc/11/58/34/462115834.db2.gz ISHNDUIWZGWQLK-SFHVURJKSA-N 2 0 346.515 3.408 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000648450086 462123652 /nfs/dbraw/zinc/12/36/52/462123652.db2.gz RSPYYFLYDREVNU-PGRDOPGGSA-N 2 0 341.543 3.156 10 0 EGAERP CC[C@@H]1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000657463585 462139339 /nfs/dbraw/zinc/13/93/39/462139339.db2.gz OSXFTSOCBBIBJY-VEHMJYNQSA-N 2 0 335.536 3.019 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)c2sccc21 ZINC000651228249 462145852 /nfs/dbraw/zinc/14/58/52/462145852.db2.gz DOVRMVFTMDJQIR-RKVPGOIHSA-N 2 0 333.545 3.445 10 0 EGAERP COC1CC(CC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657527096 462166796 /nfs/dbraw/zinc/16/67/96/462166796.db2.gz OKGNVMFHYXQVCD-UHFFFAOYSA-N 2 0 332.488 3.066 10 0 EGAERP c1ccc2c(c1)ccnc2C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536254 462170789 /nfs/dbraw/zinc/17/07/89/462170789.db2.gz ZFKOXKALPBZBCU-UHFFFAOYSA-N 2 0 339.483 3.215 10 0 EGAERP Cc1cc(F)c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1 ZINC000657537606 462171532 /nfs/dbraw/zinc/17/15/32/462171532.db2.gz QOXPGXVELOJQSB-UHFFFAOYSA-N 2 0 338.442 3.254 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)C1 ZINC000657594913 462197734 /nfs/dbraw/zinc/19/77/34/462197734.db2.gz FIHQYHMJIMAFME-HXUWFJFHSA-N 2 0 335.451 3.024 10 0 EGAERP CC(C)(C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccc1 ZINC000657595346 462198191 /nfs/dbraw/zinc/19/81/91/462198191.db2.gz HBFLDZJHKDHQJX-OAQYLSRUSA-N 2 0 338.495 3.321 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C4CC4)cc3)cc2)C1 ZINC000657598246 462198549 /nfs/dbraw/zinc/19/85/49/462198549.db2.gz ZJHYDQIVLJCUNO-JOCHJYFZSA-N 2 0 336.479 3.420 10 0 EGAERP c1c2cccnc2oc1C[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000657612966 462204139 /nfs/dbraw/zinc/20/41/39/462204139.db2.gz HBGJFMVYSMWNRB-UHFFFAOYSA-N 2 0 336.439 3.225 10 0 EGAERP C[C@H](O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836141 462209968 /nfs/dbraw/zinc/20/99/68/462209968.db2.gz JJANIRXVGIFYKJ-PXNSSMCTSA-N 2 0 330.516 3.380 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000648714969 462242107 /nfs/dbraw/zinc/24/21/07/462242107.db2.gz VEEZVOBFXCRVDQ-XUVXKRRUSA-N 2 0 340.471 3.091 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000657836938 462289156 /nfs/dbraw/zinc/28/91/56/462289156.db2.gz VWLAHPVZLBWKGW-NRFANRHFSA-N 2 0 348.531 3.448 10 0 EGAERP COC1([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000658069516 462366168 /nfs/dbraw/zinc/36/61/68/462366168.db2.gz GMRNJXVYDNEPMG-KRWDZBQOSA-N 2 0 338.536 3.205 10 0 EGAERP CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000658068466 462366546 /nfs/dbraw/zinc/36/65/46/462366546.db2.gz WQRPARPVFNCTLZ-LJQANCHMSA-N 2 0 331.504 3.403 10 0 EGAERP c1ccc2c(c1)CCC[C@H]([NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000658070063 462367674 /nfs/dbraw/zinc/36/76/74/462367674.db2.gz KNGMFAJBVOQSNY-NRFANRHFSA-N 2 0 342.527 3.415 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277127 462380618 /nfs/dbraw/zinc/38/06/18/462380618.db2.gz ULOCQENUNLAAAJ-QUCCMNQESA-N 3 0 329.532 3.396 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000665287374 462386419 /nfs/dbraw/zinc/38/64/19/462386419.db2.gz JJEQQWTUNREVLY-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000665289701 462387700 /nfs/dbraw/zinc/38/77/00/462387700.db2.gz VEQMUFZNZARMBF-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](CCC(C)C)C2)CC1 ZINC000665289700 462387816 /nfs/dbraw/zinc/38/78/16/462387816.db2.gz VEQMUFZNZARMBF-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC[C@@H]3C3CC3)cc2)C1 ZINC000658138912 462401632 /nfs/dbraw/zinc/40/16/32/462401632.db2.gz PAIOZKFJIODWAG-NJDAHSKKSA-N 2 0 328.500 3.312 10 0 EGAERP C[C@H](COCC1CC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000651984270 462401891 /nfs/dbraw/zinc/40/18/91/462401891.db2.gz YOSGCOUHIMIWRY-MSOLQXFVSA-N 2 0 330.516 3.487 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139205 462402482 /nfs/dbraw/zinc/40/24/82/462402482.db2.gz PKTFCVLULKNFKF-FCHUYYIVSA-N 2 0 336.479 3.494 10 0 EGAERP C[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139638 462403353 /nfs/dbraw/zinc/40/33/53/462403353.db2.gz QQHMGPWBNYHEIZ-XJKSGUPXSA-N 2 0 330.394 3.074 10 0 EGAERP O[C@@H]1C[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248112 462442220 /nfs/dbraw/zinc/44/22/20/462442220.db2.gz CBNFRNAOFBKKJT-UHZRXMQZSA-N 2 0 326.484 3.075 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658254083 462444371 /nfs/dbraw/zinc/44/43/71/462444371.db2.gz XXLDNNVHBLVTQV-GHBBCFCZSA-N 2 0 328.500 3.323 10 0 EGAERP O[C@@H]1CCC[N@H+](CCC[NH+]2CCCCC2)[C@H]1CCc1ccccc1 ZINC000646073779 462510349 /nfs/dbraw/zinc/51/03/49/462510349.db2.gz IZENLCBFFFUVAW-LEWJYISDSA-N 2 0 330.516 3.321 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178560235 533916065 /nfs/dbraw/zinc/91/60/65/533916065.db2.gz IGJWGOIUNZDADO-HNNXBMFYSA-N 2 0 346.446 3.109 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000130484271 529143583 /nfs/dbraw/zinc/14/35/83/529143583.db2.gz HFNOPCVMNUXISO-NHCUHLMSSA-N 2 0 329.532 3.330 10 0 EGAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246567608 535258391 /nfs/dbraw/zinc/25/83/91/535258391.db2.gz XRNBPBNCEAYIOW-FUHIMQAGSA-N 2 0 333.520 3.006 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C2CCN(CCC(F)(F)F)CC2)CC1 ZINC000356852070 535353583 /nfs/dbraw/zinc/35/35/83/535353583.db2.gz RFJOVQRREIPIMM-UHFFFAOYSA-N 2 0 335.458 3.115 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693677 546707928 /nfs/dbraw/zinc/70/79/28/546707928.db2.gz UIZGWMDSBNLVLG-RXVVDRJESA-N 3 0 329.532 3.361 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(COC2CCOCC2)c1)C1CC[NH+](C)CC1 ZINC000162679679 546966361 /nfs/dbraw/zinc/96/63/61/546966361.db2.gz JUVYBJBSTCSTOT-QGZVFWFLSA-N 2 0 346.515 3.202 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)C2CC[NH+](C)CC2)c(OC[C@H]2CCOC2)c1 ZINC000167222705 546991723 /nfs/dbraw/zinc/99/17/23/546991723.db2.gz SGPXTJNUVILWEP-MSOLQXFVSA-N 2 0 346.515 3.230 10 0 EGAERP CCCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000310941175 547461458 /nfs/dbraw/zinc/46/14/58/547461458.db2.gz JSOHOCAUFZFXOT-CEWLAPEOSA-N 2 0 338.499 3.293 10 0 EGAERP Fc1ccc(C(C[NH+]2C[C@H]3C[NH2+]C[C@@H]3C2)c2ccc(F)cc2)cc1 ZINC000670265889 548192260 /nfs/dbraw/zinc/19/22/60/548192260.db2.gz XFQLJCHHSBDLKN-IAGOWNOFSA-N 2 0 328.406 3.248 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000678774118 549558855 /nfs/dbraw/zinc/55/88/55/549558855.db2.gz DUHBKNDKEFTBJT-RTBURBONSA-N 2 0 337.458 3.174 10 0 EGAERP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000679393107 549703932 /nfs/dbraw/zinc/70/39/32/549703932.db2.gz FSHQNGQGCCKHEU-YUMYIRISSA-N 2 0 339.527 3.256 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OC)CC2)CC1 ZINC000680004136 549804851 /nfs/dbraw/zinc/80/48/51/549804851.db2.gz YUDGLPMJUCLISP-FQEVSTJZSA-N 2 0 345.531 3.220 10 0 EGAERP c1ccc2c(c1)CC[C@@H]2[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000682073428 550069215 /nfs/dbraw/zinc/06/92/15/550069215.db2.gz ACZRNQBKJAKDFH-NRFANRHFSA-N 2 0 328.500 3.498 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000682077793 550070466 /nfs/dbraw/zinc/07/04/66/550070466.db2.gz QRVXKVRLGWWPMG-OAQYLSRUSA-N 2 0 327.516 3.164 10 0 EGAERP CO[C@@H]1CCC[C@@H]([NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000684378039 550321956 /nfs/dbraw/zinc/32/19/56/550321956.db2.gz RNKJAMIWMLLFPH-KBAYOESNSA-N 2 0 349.494 3.186 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1cccc(Br)n1 ZINC000131001025 1293675708 /nfs/dbraw/zinc/67/57/08/1293675708.db2.gz XWYVVWYGPZUPLD-CYBMUJFWSA-N 2 0 328.298 3.444 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@@H]2C[C@@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131175637 1293681993 /nfs/dbraw/zinc/68/19/93/1293681993.db2.gz JZHWHJADJMHMPQ-WIYYLYMNSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)C1CC[NH+](C)CC1)c1ccc(N2CCCC2=O)cc1 ZINC000156916531 1294163129 /nfs/dbraw/zinc/16/31/29/1294163129.db2.gz SWDWXRNGRNQDKT-CVEARBPZSA-N 2 0 329.488 3.194 10 0 EGAERP COc1cc2c(c(CNC[C@@H](C)C[NH+]3CCCCC3)c1)O[C@H](C)C2 ZINC000237422352 1296241891 /nfs/dbraw/zinc/24/18/91/1296241891.db2.gz HYHJGAOSDJKGKC-HZPDHXFCSA-N 2 0 332.488 3.230 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCCc3ccccc3C2)CC1 ZINC000872023792 1296666124 /nfs/dbraw/zinc/66/61/24/1296666124.db2.gz VPOONYKHECFEEK-JOCHJYFZSA-N 2 0 343.559 3.331 10 0 EGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc(O)ccc1F ZINC000872039364 1296690502 /nfs/dbraw/zinc/69/05/02/1296690502.db2.gz RGAWSBDUWRQIDA-INIZCTEOSA-N 2 0 349.494 3.132 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1 ZINC000872048849 1296700104 /nfs/dbraw/zinc/70/01/04/1296700104.db2.gz MTGUQQLGPSXERJ-BMFZPTHFSA-N 2 0 336.442 3.465 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CC(Nc3ccccc3)C2)[C@H](C)C1 ZINC000872132727 1296756376 /nfs/dbraw/zinc/75/63/76/1296756376.db2.gz JWOXYOUZAFYOSO-GHOZHQTGSA-N 2 0 345.531 3.356 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000301704837 1296792406 /nfs/dbraw/zinc/79/24/06/1296792406.db2.gz BPEHACOALUQYBF-DLBZAZTESA-N 2 0 339.524 3.098 10 0 EGAERP c1nn(Cc2ccccc2)cc1C[NH2+][C@H]1CCCCC12CC[NH2+]CC2 ZINC000873232893 1297375582 /nfs/dbraw/zinc/37/55/82/1297375582.db2.gz QGUQPYPNJZTENM-FQEVSTJZSA-N 2 0 338.499 3.333 10 0 EGAERP c1ccc(C[NH+]2CCC(CC[NH2+][C@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000877697189 1299488944 /nfs/dbraw/zinc/48/89/44/1299488944.db2.gz HQDRWLQJCJKNMB-NHCUHLMSSA-N 2 0 328.500 3.446 10 0 EGAERP Cc1nccn1CCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886507427 1303479897 /nfs/dbraw/zinc/47/98/97/1303479897.db2.gz KIOJXZKMYLPDFR-HBMCJLEFSA-N 2 0 338.499 3.224 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@]2(C)C[NH+]3CCC2CC3)cc1)C(C)C ZINC000892785152 1305551714 /nfs/dbraw/zinc/55/17/14/1305551714.db2.gz MRORCGSKNNTCDB-OAQYLSRUSA-N 2 0 343.515 3.131 10 0 EGAERP C[C@H]1C[N@H+](CCC[NH2+]Cc2cc3c(cccc3O)s2)CCCO1 ZINC000894565899 1308957065 /nfs/dbraw/zinc/95/70/65/1308957065.db2.gz IGPSEJWEVHQDSE-AWEZNQCLSA-N 2 0 334.485 3.197 10 0 EGAERP COCC[N@@H+](Cc1cc2c(cccc2O)s1)CC1CC[NH+](C)CC1 ZINC000895417098 1309328058 /nfs/dbraw/zinc/32/80/58/1309328058.db2.gz OXXOLIDKUQHTAR-UHFFFAOYSA-N 2 0 348.512 3.397 10 0 EGAERP Cc1nc(C)c(C[NH2+][C@@](C)(CO)c2cccc(C(F)(F)F)c2)[nH]1 ZINC000929667916 1328663667 /nfs/dbraw/zinc/66/36/67/1328663667.db2.gz DWBVSJUKVCNHTK-HNNXBMFYSA-N 2 0 327.350 3.043 10 0 EGAERP Cc1nccn1CCC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028558 1328664626 /nfs/dbraw/zinc/66/46/26/1328664626.db2.gz KLNRQGICWHKREZ-IBGZPJMESA-N 2 0 340.471 3.397 10 0 EGAERP c1cn(CCC[N@@H+]2CCC[C@@H](Oc3ccc(C4CC4)cn3)C2)cn1 ZINC000858028650 1328664969 /nfs/dbraw/zinc/66/49/69/1328664969.db2.gz MOLZZGZXJABCNI-GOSISDBHSA-N 2 0 326.444 3.089 10 0 EGAERP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133112 1328691552 /nfs/dbraw/zinc/69/15/52/1328691552.db2.gz KTQJCJLHPMWYHL-JKSUJKDBSA-N 2 0 341.540 3.388 10 0 EGAERP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@@H]2CCCC3(CCC3)O2)CC1 ZINC000929762399 1328693290 /nfs/dbraw/zinc/69/32/90/1328693290.db2.gz HZTIQPBGFVKOQA-IBGZPJMESA-N 2 0 336.520 3.055 10 0 EGAERP Cc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(Br)cc1F ZINC000858186171 1328706378 /nfs/dbraw/zinc/70/63/78/1328706378.db2.gz SPVRTLOFYLWDRK-BJHJDKERSA-N 2 0 329.257 3.326 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C[C@@H](C)O1 ZINC000921758320 1322393762 /nfs/dbraw/zinc/39/37/62/1322393762.db2.gz DBACLKZCNWOESO-IAGOWNOFSA-N 2 0 348.535 3.057 10 0 EGAERP CC(C)(C)OC(=O)NC[C@@H]1CC[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000922178778 1322472974 /nfs/dbraw/zinc/47/29/74/1322472974.db2.gz QXSLUAJNGNCKIY-ZBFHGGJFSA-N 2 0 344.459 3.117 10 0 EGAERP COc1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)cc2c1OCO2 ZINC000922509309 1322544971 /nfs/dbraw/zinc/54/49/71/1322544971.db2.gz LYMHSWUQYMHWSF-UHFFFAOYSA-N 2 0 346.471 3.311 10 0 EGAERP CCCC[N@H+](C[C@@H]1CCC2(COC2)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033850 1329033795 /nfs/dbraw/zinc/03/37/95/1329033795.db2.gz KSUNBXWTSQIPBV-KRWDZBQOSA-N 2 0 338.536 3.346 10 0 EGAERP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(OC)c(OC)c1 ZINC000923301987 1322729210 /nfs/dbraw/zinc/72/92/10/1322729210.db2.gz MPCSQFMMGUQQRC-ZNXRZULTSA-N 2 0 332.488 3.446 10 0 EGAERP C[C@@H]([NH2+]CCC[NH2+]C1CC1)c1ccc(NC(=O)c2ccncc2)cc1 ZINC000923375821 1322742045 /nfs/dbraw/zinc/74/20/45/1322742045.db2.gz GAVIGNDXWMFPEB-OAHLLOKOSA-N 2 0 338.455 3.127 10 0 EGAERP CN1CC[C@H]([NH2+]CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000923378193 1322742232 /nfs/dbraw/zinc/74/22/32/1322742232.db2.gz IYCKPZZUQOAZBT-QUVGFDPDSA-N 2 0 349.469 3.220 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1C[NH3+] ZINC000923501701 1322763210 /nfs/dbraw/zinc/76/32/10/1322763210.db2.gz SMCWLSFQXWIOEF-VQIMIIECSA-N 2 0 325.456 3.077 10 0 EGAERP c1ccc2c(c1)NC[C@@H]2C[C@@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923553896 1322776552 /nfs/dbraw/zinc/77/65/52/1322776552.db2.gz WRKUVHCABHWTKF-RBUKOAKNSA-N 2 0 343.515 3.066 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000924962746 1323228827 /nfs/dbraw/zinc/22/88/27/1323228827.db2.gz GFSXIODQXRUYEZ-HNNXBMFYSA-N 2 0 338.293 3.153 10 0 EGAERP CC(C)[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925027939 1323249570 /nfs/dbraw/zinc/24/95/70/1323249570.db2.gz JKBSUUPXAGKXFH-LEWJYISDSA-N 2 0 346.515 3.312 10 0 EGAERP C[NH+](C)CC1(O)CC[NH+](Cc2cc(Cl)cc3ccccc32)CC1 ZINC000931479694 1329127594 /nfs/dbraw/zinc/12/75/94/1329127594.db2.gz YZCQLWSGCQURIS-UHFFFAOYSA-N 2 0 332.875 3.382 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000925241884 1325092656 /nfs/dbraw/zinc/09/26/56/1325092656.db2.gz TXEOFVCSZLSOGM-CJNGLKHVSA-N 2 0 325.884 3.059 10 0 EGAERP CC[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cccc(OC)n1 ZINC000925300983 1325118416 /nfs/dbraw/zinc/11/84/16/1325118416.db2.gz QLVYGPGASIKBAT-GOSISDBHSA-N 2 0 340.471 3.443 10 0 EGAERP COc1ccc([C@@H](CN[C@@H]2CC[NH2+]C23CCC3)[NH+]2CCCCC2)cc1 ZINC000925505375 1325181824 /nfs/dbraw/zinc/18/18/24/1325181824.db2.gz NLPOJCLHEFVBLX-WOJBJXKFSA-N 2 0 343.515 3.096 10 0 EGAERP c1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925511174 1325184223 /nfs/dbraw/zinc/18/42/23/1325184223.db2.gz HWZDGWMQKAPRRA-MSOLQXFVSA-N 2 0 326.488 3.184 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000925529835 1325192870 /nfs/dbraw/zinc/19/28/70/1325192870.db2.gz IBAMUBREYDQHQO-HUUCEWRRSA-N 2 0 335.458 3.146 10 0 EGAERP CC(C)(CO)[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607430 1325229573 /nfs/dbraw/zinc/22/95/73/1325229573.db2.gz PUYIIAJECLLXPP-YDZRNGNQSA-N 2 0 330.516 3.155 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C12CCC2 ZINC000925612058 1325231684 /nfs/dbraw/zinc/23/16/84/1325231684.db2.gz HQLBRQZRAPFVRY-UXHICEINSA-N 2 0 348.494 3.004 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1F ZINC000925619042 1325233169 /nfs/dbraw/zinc/23/31/69/1325233169.db2.gz KOCJGJOLUCBERZ-LVRJZDEYSA-N 2 0 326.431 3.272 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000925622228 1325234305 /nfs/dbraw/zinc/23/43/05/1325234305.db2.gz MIUXDQPROSAYBT-RLLQIKCJSA-N 3 0 327.516 3.161 10 0 EGAERP CC1(C)C[C@@H]([NH2+][C@H](CO)c2ccc(C(F)(F)F)cc2)C[C@@H]([NH3+])C1 ZINC000925631638 1325238918 /nfs/dbraw/zinc/23/89/18/1325238918.db2.gz VSSXDSCRJXNIOF-QLFBSQMISA-N 2 0 330.394 3.234 10 0 EGAERP Cc1noc(C[C@H]([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)c2ccccc2)n1 ZINC000925651706 1325247362 /nfs/dbraw/zinc/24/73/62/1325247362.db2.gz JIDNUEFOJXIXNW-ULQDDVLXSA-N 2 0 328.460 3.157 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1[C@H]2Cc3c(cccc3Br)[C@@H]12 ZINC000925725801 1325270198 /nfs/dbraw/zinc/27/01/98/1325270198.db2.gz WFOYDQKTRHZXFO-OYRHMUQCSA-N 2 0 347.300 3.193 10 0 EGAERP [NH3+][C@@H]1C[C@H](N[C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736034 1325275462 /nfs/dbraw/zinc/27/54/62/1325275462.db2.gz KAFTXLIGFVYKNK-IXDOHACOSA-N 2 0 347.256 3.217 10 0 EGAERP [NH3+][C@H]1C[C@@H](N[C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736033 1325276438 /nfs/dbraw/zinc/27/64/38/1325276438.db2.gz KAFTXLIGFVYKNK-GVDBMIGSSA-N 2 0 347.256 3.217 10 0 EGAERP CC(C)[C@@H](COCc1ccccc1)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925777743 1325296407 /nfs/dbraw/zinc/29/64/07/1325296407.db2.gz QGCLGVCJXJKPDS-IAGOWNOFSA-N 2 0 326.431 3.062 10 0 EGAERP COc1cc([C@H](C)NC[C@H]2C[NH2+]CCC2(F)F)ccc1SC ZINC000925781179 1325298385 /nfs/dbraw/zinc/29/83/85/1325298385.db2.gz HNBWFHIBOIFVRZ-WCQYABFASA-N 2 0 330.444 3.313 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925793698 1325303729 /nfs/dbraw/zinc/30/37/29/1325303729.db2.gz AJDABUHVVSMGLQ-LELZANKISA-N 3 0 327.516 3.017 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925801127 1325307875 /nfs/dbraw/zinc/30/78/75/1325307875.db2.gz URZNUVPUSKYYKO-HLLBOEOZSA-N 2 0 332.492 3.113 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c2ccccc12 ZINC000925807394 1325309452 /nfs/dbraw/zinc/30/94/52/1325309452.db2.gz AIMIGHUVJHXRDM-GUDVDZBRSA-N 2 0 325.456 3.341 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cc1F ZINC000925809711 1325310707 /nfs/dbraw/zinc/31/07/07/1325310707.db2.gz TUTIDKRCIKNYQV-HNNXBMFYSA-N 2 0 345.437 3.221 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925810600 1325311122 /nfs/dbraw/zinc/31/11/22/1325311122.db2.gz WJJRBJDPCPDDAK-MRXNPFEDSA-N 2 0 329.513 3.313 10 0 EGAERP Cc1ccc(C)c([C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2ccccc2)c1 ZINC000925814152 1325314121 /nfs/dbraw/zinc/31/41/21/1325314121.db2.gz GZZSHFBHFHAAIX-QFIPXVFZSA-N 2 0 337.511 3.406 10 0 EGAERP C[C@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925817120 1325314434 /nfs/dbraw/zinc/31/44/34/1325314434.db2.gz NJPHFXVUKFYHMJ-CQSZACIVSA-N 2 0 343.437 3.039 10 0 EGAERP COc1cccc2cc([C@H](C)[NH2+]CCCCCN3CC[NH2+]CC3)oc21 ZINC000925846255 1325326567 /nfs/dbraw/zinc/32/65/67/1325326567.db2.gz UIWXNMLKWHMANE-INIZCTEOSA-N 2 0 345.487 3.168 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(F)cc1Cl ZINC000925848542 1325328091 /nfs/dbraw/zinc/32/80/91/1325328091.db2.gz HUPVEFHYAHWEPY-AWEZNQCLSA-N 2 0 327.875 3.205 10 0 EGAERP O=C1O[C@@H](C[NH2+]C2CCC3(CCCCC3)CC2)CC12CC[NH2+]CC2 ZINC000925853572 1325331936 /nfs/dbraw/zinc/33/19/36/1325331936.db2.gz ZZJQXJFWJDZKPF-QGZVFWFLSA-N 2 0 334.504 3.154 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1 ZINC000925857823 1325333239 /nfs/dbraw/zinc/33/32/39/1325333239.db2.gz SVHVHHJLYCHURY-HZPDHXFCSA-N 2 0 336.863 3.066 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccnnc1 ZINC000926135238 1325442675 /nfs/dbraw/zinc/44/26/75/1325442675.db2.gz BBOONMOTIFXFQG-VRXWPRPYSA-N 2 0 336.483 3.428 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000926137342 1325443633 /nfs/dbraw/zinc/44/36/33/1325443633.db2.gz UKIWMXHNVXKPKG-HAGHYFMRSA-N 2 0 344.499 3.028 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCCCC[NH+]2CCCC2)n(C)n1 ZINC000926488106 1325573094 /nfs/dbraw/zinc/57/30/94/1325573094.db2.gz SZXLGFACIJYDFH-ICSRJNTNSA-N 2 0 332.536 3.295 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000926665625 1327658942 /nfs/dbraw/zinc/65/89/42/1327658942.db2.gz JCRQRAGBZKUOAD-LNSITVRQSA-N 2 0 338.293 3.151 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc([S@@](C)=O)cc1 ZINC000927036366 1327826616 /nfs/dbraw/zinc/82/66/16/1327826616.db2.gz ANSPJUYAPJKXSD-XRXMYVIOSA-N 2 0 334.529 3.482 10 0 EGAERP CC1([NH+]2CCCC2)CCC(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC000928011796 1328171172 /nfs/dbraw/zinc/17/11/72/1328171172.db2.gz HKMYISISOOQIPS-UHFFFAOYSA-N 2 0 335.536 3.166 10 0 EGAERP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC000865456127 1329699707 /nfs/dbraw/zinc/69/97/07/1329699707.db2.gz KDPBZAYJWYXHIF-DQVLVPHSSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccnc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1Br ZINC000865508885 1329707232 /nfs/dbraw/zinc/70/72/32/1329707232.db2.gz NHWSLJPFJQEYRS-UHFFFAOYSA-N 2 0 340.309 3.363 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cccc3nccn32)(c2ccccc2)CC1 ZINC000865773556 1329736839 /nfs/dbraw/zinc/73/68/39/1329736839.db2.gz DDIZDPQSQMMYNZ-UHFFFAOYSA-N 2 0 334.467 3.088 10 0 EGAERP C[C@H](CCc1cccnc1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000866238171 1330083043 /nfs/dbraw/zinc/08/30/43/1330083043.db2.gz NIIGYQPBOZKAHE-QGZVFWFLSA-N 2 0 327.472 3.133 10 0 EGAERP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CN2CCC[C@@H]2CO1 ZINC000866260942 1330086719 /nfs/dbraw/zinc/08/67/19/1330086719.db2.gz PZQUCYMYLQLGDX-NSISKUIASA-N 2 0 339.483 3.009 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000866266172 1330087522 /nfs/dbraw/zinc/08/75/22/1330087522.db2.gz XSFPPJGINSOROU-FQELHTAISA-N 2 0 345.506 3.207 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccnc2)[C@H](C)C1 ZINC000866268468 1330088057 /nfs/dbraw/zinc/08/80/57/1330088057.db2.gz WNDIALRTWQDNLE-HBFSDRIKSA-N 2 0 333.520 3.129 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866280387 1330090248 /nfs/dbraw/zinc/09/02/48/1330090248.db2.gz VFGIXJRHTSHMPM-CHWSQXEVSA-N 2 0 339.867 3.489 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000866307174 1330093614 /nfs/dbraw/zinc/09/36/14/1330093614.db2.gz SJBDOCSBGCNNCL-RZTDZLQYSA-N 2 0 346.490 3.417 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CCC1)[C@@H]1CCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866511908 1330120201 /nfs/dbraw/zinc/12/02/01/1330120201.db2.gz YBYLQADNASUOFK-SCWSEQNSSA-N 2 0 346.515 3.483 10 0 EGAERP CC(=O)N1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)c2ccccc21 ZINC000866518010 1330121426 /nfs/dbraw/zinc/12/14/26/1330121426.db2.gz QTZSIPGFXOKZOI-KGXSXCIVSA-N 2 0 329.488 3.337 10 0 EGAERP Brc1cccnc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000866666244 1330139593 /nfs/dbraw/zinc/13/95/93/1330139593.db2.gz OONFMPKFUITKKI-KBPBESRZSA-N 2 0 338.293 3.056 10 0 EGAERP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705389 1330142777 /nfs/dbraw/zinc/14/27/77/1330142777.db2.gz YZCUDLJWMYSZDL-DYESRHJHSA-N 2 0 345.531 3.039 10 0 EGAERP Cc1ccc2c(C[N@@H+]3CC[C@](C[NH3+])(C(C)(C)C)C3)cc(=O)oc2c1 ZINC000866705754 1330142783 /nfs/dbraw/zinc/14/27/83/1330142783.db2.gz ABGPXALNAXBVKE-HXUWFJFHSA-N 2 0 328.456 3.298 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C[C@@H]1CC ZINC001323158764 1387304060 /nfs/dbraw/zinc/30/40/60/1387304060.db2.gz IYYUNWBJECRLIP-MJIPRMEISA-N 2 0 349.563 3.291 10 0 EGAERP Cc1c(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)ccc2c[nH+]cn21 ZINC001323655691 1387416975 /nfs/dbraw/zinc/41/69/75/1387416975.db2.gz LELVSMHFALVSEZ-UHFFFAOYSA-N 2 0 348.450 3.169 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2[C@H](C)c1ccccc1 ZINC001323791430 1387454411 /nfs/dbraw/zinc/45/44/11/1387454411.db2.gz YHQIDOZOPCPZGL-RLLQIKCJSA-N 2 0 343.515 3.155 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001323814126 1387465749 /nfs/dbraw/zinc/46/57/49/1387465749.db2.gz XHNRKDLXWABJEO-FPOVZHCZSA-N 2 0 349.563 3.366 10 0 EGAERP CC1CC(C[NH+]2CCC3(CCN(C(=O)CCCC[NH+](C)C)C3)CC2)C1 ZINC001323835585 1387469409 /nfs/dbraw/zinc/46/94/09/1387469409.db2.gz MFJBGMLUGSNUKZ-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001324484567 1387642420 /nfs/dbraw/zinc/64/24/20/1387642420.db2.gz WTDIFTDHWTZEPM-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]CC=C(C)C)C2CCCC2)C1 ZINC001324495797 1387648198 /nfs/dbraw/zinc/64/81/98/1387648198.db2.gz QRDHBHXBYGQCFY-UXHICEINSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CCCC2)CC1 ZINC001324507139 1387655782 /nfs/dbraw/zinc/65/57/82/1387655782.db2.gz RAUIYVJDRIEOOS-FQEVSTJZSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324517757 1387658898 /nfs/dbraw/zinc/65/88/98/1387658898.db2.gz MBLBVXYZUIKULZ-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001324555671 1387670403 /nfs/dbraw/zinc/67/04/03/1387670403.db2.gz BJGJXMZYVSRBRL-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001324556703 1387672140 /nfs/dbraw/zinc/67/21/40/1387672140.db2.gz KQQDNJNXKJVZOD-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001324556315 1387672294 /nfs/dbraw/zinc/67/22/94/1387672294.db2.gz GRXOYEJRBOBLQC-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001324555675 1387670956 /nfs/dbraw/zinc/67/09/56/1387670956.db2.gz BMNFPQJYFPIDAG-CTNGQTDRSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001324647783 1387717557 /nfs/dbraw/zinc/71/75/57/1387717557.db2.gz QNVGYARTQQKWNV-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001324671678 1387728497 /nfs/dbraw/zinc/72/84/97/1387728497.db2.gz GIGHSCRZFXWISZ-NQIIRXRSSA-N 2 0 343.515 3.041 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001324742862 1387758964 /nfs/dbraw/zinc/75/89/64/1387758964.db2.gz USQFJPBACNYSLS-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)c(C)c1 ZINC001198612529 1369073116 /nfs/dbraw/zinc/07/31/16/1369073116.db2.gz PWUUWBBGWKMXAL-UHFFFAOYSA-N 2 0 330.516 3.425 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001325631234 1388017499 /nfs/dbraw/zinc/01/74/99/1388017499.db2.gz BKZIWJRYLJTFGN-HAGHYFMRSA-N 2 0 347.547 3.020 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001325678589 1388028341 /nfs/dbraw/zinc/02/83/41/1388028341.db2.gz DFBREDIVDRZIGL-VJANTYMQSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001325678587 1388028682 /nfs/dbraw/zinc/02/86/82/1388028682.db2.gz DFBREDIVDRZIGL-NCXUSEDFSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@]2(CC[NH+](CCc3ccc(OC(F)(F)F)cc3)C2)C1 ZINC001326129252 1388117191 /nfs/dbraw/zinc/11/71/91/1388117191.db2.gz QCHPCWPGQXNPPA-INIZCTEOSA-N 2 0 328.378 3.155 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(OCC(F)(F)F)n2)C1 ZINC001119699459 1371389955 /nfs/dbraw/zinc/38/99/55/1371389955.db2.gz QMCRRONIJPPNLM-AAEUAGOBSA-N 2 0 331.382 3.018 10 0 EGAERP CC[NH+](CC)CC[C@@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC001124047876 1372665634 /nfs/dbraw/zinc/66/56/34/1372665634.db2.gz POLANFULOVPMAK-OAHLLOKOSA-N 2 0 345.487 3.345 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001326490384 1388214825 /nfs/dbraw/zinc/21/48/25/1388214825.db2.gz QMBBOBOLCGRZKC-QFBILLFUSA-N 2 0 345.531 3.341 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001326555442 1388237946 /nfs/dbraw/zinc/23/79/46/1388237946.db2.gz ROSPLWYSJDPZHP-CADBVGFASA-N 2 0 337.552 3.172 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@H]4CCC[N@@H+]43)CCC2)C1 ZINC001326900461 1388343897 /nfs/dbraw/zinc/34/38/97/1388343897.db2.gz UVVBNQMJGMJCIA-ZWKOTPCHSA-N 2 0 347.547 3.068 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001327146143 1388404397 /nfs/dbraw/zinc/40/43/97/1388404397.db2.gz IPXGPZMYTNUCSJ-FAPWYTRCSA-N 2 0 337.552 3.290 10 0 EGAERP C[C@@H](c1cccc(Cl)c1)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001327257503 1388468695 /nfs/dbraw/zinc/46/86/95/1388468695.db2.gz HTRFZWZFAYNFHW-HNNXBMFYSA-N 2 0 339.911 3.133 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001265736212 1377164481 /nfs/dbraw/zinc/16/44/81/1377164481.db2.gz LFDGJGIVMRZKIM-MLNXKPFUSA-N 2 0 335.536 3.234 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001266327474 1377274537 /nfs/dbraw/zinc/27/45/37/1377274537.db2.gz GDWCBNMFOFAVAJ-KRWDZBQOSA-N 2 0 349.563 3.266 10 0 EGAERP O=C(CC[N@H+]1CC[C@H](F)C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001136342757 1377379561 /nfs/dbraw/zinc/37/95/61/1377379561.db2.gz BXJGKDIMVZLNNO-SFHVURJKSA-N 2 0 347.478 3.087 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001266897577 1377400406 /nfs/dbraw/zinc/40/04/06/1377400406.db2.gz OMEYNSJAIGFAIT-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001136715511 1377417719 /nfs/dbraw/zinc/41/77/19/1377417719.db2.gz RFBSQHSSQKTUBY-FUHWJXTLSA-N 2 0 347.503 3.076 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001267971051 1377481153 /nfs/dbraw/zinc/48/11/53/1377481153.db2.gz XJHMSQKUNCXDLI-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001267970993 1377481256 /nfs/dbraw/zinc/48/12/56/1377481256.db2.gz QCFDDADJJXGFAJ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001271585444 1377641050 /nfs/dbraw/zinc/64/10/50/1377641050.db2.gz OHFZZFOYAPSJFC-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)c(C)c1 ZINC001275581974 1378143516 /nfs/dbraw/zinc/14/35/16/1378143516.db2.gz KFNWWGAXOWVQGH-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)c(C)c1 ZINC001275581975 1378144695 /nfs/dbraw/zinc/14/46/95/1378144695.db2.gz KFNWWGAXOWVQGH-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)Cc1cccc(C)c1)C(C)C)[NH+](C)C ZINC001278912427 1378291822 /nfs/dbraw/zinc/29/18/22/1378291822.db2.gz PVFDJOLQFJYOOF-LJQANCHMSA-N 2 0 333.520 3.004 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001278979361 1378295058 /nfs/dbraw/zinc/29/50/58/1378295058.db2.gz ZALHALICOVGUAN-ROUUACIJSA-N 2 0 339.568 3.273 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001280770588 1378372304 /nfs/dbraw/zinc/37/23/04/1378372304.db2.gz SSLKFJAPNJFJSC-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001327530272 1388551765 /nfs/dbraw/zinc/55/17/65/1388551765.db2.gz NZTVNQARYAOXCP-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001282167581 1378482895 /nfs/dbraw/zinc/48/28/95/1378482895.db2.gz MHNXBWSBZPLWAO-SJORKVTESA-N 2 0 345.531 3.106 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC[C@]2(CC[N@H+](CC)C2)C1 ZINC001327540574 1388555901 /nfs/dbraw/zinc/55/59/01/1388555901.db2.gz JJGWFMIDMOHSPJ-HXUWFJFHSA-N 2 0 337.552 3.223 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001282677008 1378546554 /nfs/dbraw/zinc/54/65/54/1378546554.db2.gz XBUOYJOFSBMQJJ-BBIZLLLXSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001282967100 1378690451 /nfs/dbraw/zinc/69/04/51/1378690451.db2.gz JGRKVDDLIVLZFF-SFFCAUCYSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001282991752 1378699180 /nfs/dbraw/zinc/69/91/80/1378699180.db2.gz AZSMAUBJVDRLHL-OYRHEFFESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001283177550 1378753296 /nfs/dbraw/zinc/75/32/96/1378753296.db2.gz MERIFYQLSIIHAQ-BPQIPLTHSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](CCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283220549 1378764575 /nfs/dbraw/zinc/76/45/75/1378764575.db2.gz CHOIONSCVRBZDI-APWZRJJASA-N 2 0 349.494 3.015 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CC1=CCCCC1)C2 ZINC001327696227 1388584912 /nfs/dbraw/zinc/58/49/12/1388584912.db2.gz OGBOYPUGCQDZNP-UHFFFAOYSA-N 2 0 341.499 3.071 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001283613617 1379054088 /nfs/dbraw/zinc/05/40/88/1379054088.db2.gz YOBJVXZSXQUGAY-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001283652992 1379084595 /nfs/dbraw/zinc/08/45/95/1379084595.db2.gz ITDYLJXGOGZDIA-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001283676821 1379104670 /nfs/dbraw/zinc/10/46/70/1379104670.db2.gz FOJNPZDCJBUCJP-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1=CCCCC1 ZINC001283692735 1379122409 /nfs/dbraw/zinc/12/24/09/1379122409.db2.gz SSWJCFGBLHLZBD-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H]2C)c1 ZINC001283924867 1379276500 /nfs/dbraw/zinc/27/65/00/1379276500.db2.gz BBDJMPULTQVLIB-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CCC(C)C)[C@H]2C)o1 ZINC001283938481 1379287653 /nfs/dbraw/zinc/28/76/53/1379287653.db2.gz IOLQABSOFDQQLG-SJLPKXTDSA-N 2 0 349.519 3.360 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001284097120 1379464532 /nfs/dbraw/zinc/46/45/32/1379464532.db2.gz PZEYNBLGATVEBU-XUVXKRRUSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001284104214 1379476732 /nfs/dbraw/zinc/47/67/32/1379476732.db2.gz WUDSVRSMXYKZKF-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001284104219 1379476829 /nfs/dbraw/zinc/47/68/29/1379476829.db2.gz WUDSVRSMXYKZKF-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@@H]1C ZINC001284149891 1379544671 /nfs/dbraw/zinc/54/46/71/1379544671.db2.gz ZNWNBOHLDGTFJR-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)[C@H]1CCC[NH+]1C ZINC001284529258 1379933109 /nfs/dbraw/zinc/93/31/09/1379933109.db2.gz FTFWDWLRCLRAAW-IEBWSBKVSA-N 2 0 331.504 3.011 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)[C@H]1CCC[NH+]1C ZINC001284529260 1379933449 /nfs/dbraw/zinc/93/34/49/1379933449.db2.gz FTFWDWLRCLRAAW-PKOBYXMFSA-N 2 0 331.504 3.011 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCCC[NH+]1C ZINC001284546215 1379955148 /nfs/dbraw/zinc/95/51/48/1379955148.db2.gz WMNGIWRNYDQVSG-KRWDZBQOSA-N 2 0 325.541 3.076 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001284653441 1380068657 /nfs/dbraw/zinc/06/86/57/1380068657.db2.gz RWNZDDDHLKUYML-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](CCC2CCCC2)CC1 ZINC001284699616 1380114783 /nfs/dbraw/zinc/11/47/83/1380114783.db2.gz ICXKNWPMVBQTLB-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001328022138 1388647068 /nfs/dbraw/zinc/64/70/68/1388647068.db2.gz HJSGGBQTNGCJMV-VDZMMWBESA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[NH+]1CCC(C2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001284846595 1380269134 /nfs/dbraw/zinc/26/91/34/1380269134.db2.gz QWIUJIOOMOIBSX-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001284911447 1380307093 /nfs/dbraw/zinc/30/70/93/1380307093.db2.gz ZTIFIQVAZUYYIR-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001284967766 1380331926 /nfs/dbraw/zinc/33/19/26/1380331926.db2.gz SHAQLYBHAYEBDQ-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001328283438 1388714506 /nfs/dbraw/zinc/71/45/06/1388714506.db2.gz KZJVWZLQBOIDSF-FUHWJXTLSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC001328286490 1388716204 /nfs/dbraw/zinc/71/62/04/1388716204.db2.gz UTOZHZFOJCWVIR-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001328363479 1388730904 /nfs/dbraw/zinc/73/09/04/1388730904.db2.gz VVPBCSNWDMPJMX-ROUUACIJSA-N 2 0 343.515 3.108 10 0 EGAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001291944843 1382162392 /nfs/dbraw/zinc/16/23/92/1382162392.db2.gz FGEWALDSKJCWEG-NLWGTHIKSA-N 2 0 343.515 3.012 10 0 EGAERP C/C(=C\C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1C ZINC001292949971 1382236191 /nfs/dbraw/zinc/23/61/91/1382236191.db2.gz YFCIXJJZCOTTKO-HTXNQAPBSA-N 2 0 345.531 3.130 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001306833753 1383908626 /nfs/dbraw/zinc/90/86/26/1383908626.db2.gz RFCIJBWZHIZUIQ-BHIYHBOVSA-N 2 0 335.536 3.020 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCc2ccccc2Cl)CC1 ZINC001308149734 1384101135 /nfs/dbraw/zinc/10/11/35/1384101135.db2.gz FSOHWFBCWSQXFO-UHFFFAOYSA-N 2 0 336.907 3.195 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316629323 1384493575 /nfs/dbraw/zinc/49/35/75/1384493575.db2.gz HDQAAPDMICMGIZ-YVHUAWIJSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001316719041 1384537256 /nfs/dbraw/zinc/53/72/56/1384537256.db2.gz FZRDQCJUKLBQII-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001316719036 1384537449 /nfs/dbraw/zinc/53/74/49/1384537449.db2.gz FZRDQCJUKLBQII-HOJAQTOUSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001316720294 1384539500 /nfs/dbraw/zinc/53/95/00/1384539500.db2.gz JXHCYEHEMNZCLW-RLLQIKCJSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C/C=C/c2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001316739826 1384554596 /nfs/dbraw/zinc/55/45/96/1384554596.db2.gz VGOZVUITPREQBW-XKYWPFDESA-N 2 0 343.515 3.009 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001316774829 1384573732 /nfs/dbraw/zinc/57/37/32/1384573732.db2.gz WOCQVFCLUMBWRR-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC(C)(C)C1 ZINC001316809363 1384604254 /nfs/dbraw/zinc/60/42/54/1384604254.db2.gz AVOQGTVBIFODJX-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316811882 1384610561 /nfs/dbraw/zinc/61/05/61/1384610561.db2.gz QCOOHJFSGYRIEY-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001316844249 1384632472 /nfs/dbraw/zinc/63/24/72/1384632472.db2.gz KIDDPVHCFXKBDU-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCCC1CCC1 ZINC001316852976 1384641603 /nfs/dbraw/zinc/64/16/03/1384641603.db2.gz ATRFLASIDDQRHA-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CCCNC(=O)C1CC[NH+](CC2CC2)CC1)CC1=CCCCC1 ZINC001316858350 1384644805 /nfs/dbraw/zinc/64/48/05/1384644805.db2.gz ACSZNBFUUHNPBW-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001316894981 1384674913 /nfs/dbraw/zinc/67/49/13/1384674913.db2.gz JKOUNVYLCARZDA-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317004360 1384763952 /nfs/dbraw/zinc/76/39/52/1384763952.db2.gz UWJIWUGTCPOLMO-OVKVCFKUSA-N 2 0 335.536 3.140 10 0 EGAERP CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001317005284 1384766213 /nfs/dbraw/zinc/76/62/13/1384766213.db2.gz GYHHKHNRVXSSPE-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001317037819 1384809115 /nfs/dbraw/zinc/80/91/15/1384809115.db2.gz AKJIUQWGIWUKJV-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001317045957 1384821505 /nfs/dbraw/zinc/82/15/05/1384821505.db2.gz TZJDBVAEHSRZLH-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC(C)C)CC[C@@H]21 ZINC001317099303 1384862116 /nfs/dbraw/zinc/86/21/16/1384862116.db2.gz AOSNEJXZGHWYGF-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC001317099362 1384862244 /nfs/dbraw/zinc/86/22/44/1384862244.db2.gz BSQRQVQQKRJYOR-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001317112951 1384874082 /nfs/dbraw/zinc/87/40/82/1384874082.db2.gz UUZNXQYMHFGOAN-GASCZTMLSA-N 2 0 337.533 3.096 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@H+](CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001317137929 1384902313 /nfs/dbraw/zinc/90/23/13/1384902313.db2.gz KYUCQSDNIOAILF-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317138885 1384903905 /nfs/dbraw/zinc/90/39/05/1384903905.db2.gz WJBPLRJYJZMXKS-LJQANCHMSA-N 2 0 345.531 3.380 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001317140606 1384907608 /nfs/dbraw/zinc/90/76/08/1384907608.db2.gz RFSIJKBHSQFZDQ-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317142354 1384910840 /nfs/dbraw/zinc/91/08/40/1384910840.db2.gz AUTYRQIEKYRGBH-SFFCAUCYSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317148565 1384915756 /nfs/dbraw/zinc/91/57/56/1384915756.db2.gz FGNSUNXQUNEHJV-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001317165660 1384929707 /nfs/dbraw/zinc/92/97/07/1384929707.db2.gz IXDMVOHOKDKAPC-SJORKVTESA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001317165657 1384929781 /nfs/dbraw/zinc/92/97/81/1384929781.db2.gz IXDMVOHOKDKAPC-IRXDYDNUSA-N 2 0 349.494 3.055 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317199928 1384975532 /nfs/dbraw/zinc/97/55/32/1384975532.db2.gz OKWVPBDIGILRJT-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317210236 1384989291 /nfs/dbraw/zinc/98/92/91/1384989291.db2.gz WKQPULDAGWPXIA-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317216911 1384996912 /nfs/dbraw/zinc/99/69/12/1384996912.db2.gz AGABZAUQHRNVGJ-SNAWJCMRSA-N 2 0 347.547 3.378 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317307794 1385073672 /nfs/dbraw/zinc/07/36/72/1385073672.db2.gz RQSIWRYMFFDXOP-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001317342744 1385094191 /nfs/dbraw/zinc/09/41/91/1385094191.db2.gz HXZFOGHAXAQNMF-MOPGFXCFSA-N 2 0 345.531 3.226 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317345477 1385095896 /nfs/dbraw/zinc/09/58/96/1385095896.db2.gz AUCYRFXTLHKUBM-ZMBJWTFHSA-N 2 0 343.515 3.156 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001317403629 1385117129 /nfs/dbraw/zinc/11/71/29/1385117129.db2.gz AYQQGCUROFPBCL-AOIWGVFYSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CC1CC2(CCC2)C1 ZINC001317488511 1385187232 /nfs/dbraw/zinc/18/72/32/1385187232.db2.gz HOTQHEIPDRFHIJ-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001329107582 1388972426 /nfs/dbraw/zinc/97/24/26/1388972426.db2.gz XHGKXXNAZKDYKH-IAGOWNOFSA-N 2 0 345.531 3.106 10 0 EGAERP Cc1ccc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C(C)C)cc1C ZINC001317708490 1385410591 /nfs/dbraw/zinc/41/05/91/1385410591.db2.gz DBGOGMDOZXFZFQ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001317717957 1385419524 /nfs/dbraw/zinc/41/95/24/1385419524.db2.gz KFMWEDXFUYUCCY-UXHICEINSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723351 1385424111 /nfs/dbraw/zinc/42/41/11/1385424111.db2.gz GBEWVQNYTIGTQK-UXHICEINSA-N 2 0 343.515 3.106 10 0 EGAERP CCCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766805 1385456045 /nfs/dbraw/zinc/45/60/45/1385456045.db2.gz ISHJBRSQVYYPRW-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001317876671 1385555930 /nfs/dbraw/zinc/55/59/30/1385555930.db2.gz LNIJOPJQANEHHK-HCZHMGAMSA-N 2 0 349.563 3.388 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NC2(C[NH2+]CC3CCCC3)CCCC2)C1 ZINC001318665165 1385825467 /nfs/dbraw/zinc/82/54/67/1385825467.db2.gz SGWUENMWBNEUMG-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H](CC[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001318802594 1385857199 /nfs/dbraw/zinc/85/71/99/1385857199.db2.gz ADBBBORNGAITFG-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001318860723 1385864142 /nfs/dbraw/zinc/86/41/42/1385864142.db2.gz NZXDWNGVAIXBPW-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]C[C@@H](C)CC)CC1 ZINC001318895775 1385872621 /nfs/dbraw/zinc/87/26/21/1385872621.db2.gz JEMVIKOYOFRDDU-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319079348 1385954201 /nfs/dbraw/zinc/95/42/01/1385954201.db2.gz XGRAMHGMZAYHBZ-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001319148527 1385980532 /nfs/dbraw/zinc/98/05/32/1385980532.db2.gz BSZQYTDQPMVZTF-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001319620544 1386213640 /nfs/dbraw/zinc/21/36/40/1386213640.db2.gz IJCRASZGVBCTPW-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001319683532 1386250526 /nfs/dbraw/zinc/25/05/26/1386250526.db2.gz PTOZDHLEYMCMMJ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CCC(C)(C)C ZINC001319849315 1386333839 /nfs/dbraw/zinc/33/38/39/1386333839.db2.gz OCFBWYUKLVFOCV-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CCC2CCCC2)CC1 ZINC001319885888 1386361570 /nfs/dbraw/zinc/36/15/70/1386361570.db2.gz NPDANDKQSJRMMP-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001698643313 1406291850 /nfs/dbraw/zinc/29/18/50/1406291850.db2.gz OIFPHUSAAILCJD-ZVDOUQERSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001320109442 1386518341 /nfs/dbraw/zinc/51/83/41/1386518341.db2.gz BUNICSHNVIGLGJ-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001320414261 1386603671 /nfs/dbraw/zinc/60/36/71/1386603671.db2.gz DBTZMANQLBSLNI-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@@H](CC[NH2+]C/C=C/c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320516398 1386634665 /nfs/dbraw/zinc/63/46/65/1386634665.db2.gz HQKDGGISEHLFJO-PEKVBPLLSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001698658094 1406308903 /nfs/dbraw/zinc/30/89/03/1406308903.db2.gz BQBXPELPDDFJNH-UWJYYQICSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320528591 1386638175 /nfs/dbraw/zinc/63/81/75/1386638175.db2.gz HXAKOEACQYFRCJ-HKUYNNGSSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001320639260 1386675060 /nfs/dbraw/zinc/67/50/60/1386675060.db2.gz HTIJEHORBISKRK-ZWKOTPCHSA-N 2 0 345.531 3.451 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CC1CCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001698666382 1406316963 /nfs/dbraw/zinc/31/69/63/1406316963.db2.gz ZLALWOVQEHOLDL-UWJYYQICSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001698674734 1406323516 /nfs/dbraw/zinc/32/35/16/1406323516.db2.gz SUPNBWOEMLHNRB-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001321710622 1386962303 /nfs/dbraw/zinc/96/23/03/1386962303.db2.gz RRXQBCVSMXXAEJ-XLIONFOSSA-N 2 0 343.515 3.274 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001321756782 1386976378 /nfs/dbraw/zinc/97/63/78/1386976378.db2.gz QHCXDOCLJQGAJL-MJGOQNOKSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001321757244 1386977025 /nfs/dbraw/zinc/97/70/25/1386977025.db2.gz ZRNHSUOPQADMMK-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321847932 1386995593 /nfs/dbraw/zinc/99/55/93/1386995593.db2.gz CNWKVULYUXEUJM-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCCC(C)(C)C ZINC001322168394 1387085680 /nfs/dbraw/zinc/08/56/80/1387085680.db2.gz IVIGFXLWIUDDAD-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001182241570 1387130359 /nfs/dbraw/zinc/13/03/59/1387130359.db2.gz NPEUDKDRIVWTPE-HKUYNNGSSA-N 2 0 329.488 3.341 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(CC[NH2+]CCCC3CCC3)CC2)C1 ZINC001698701194 1406343803 /nfs/dbraw/zinc/34/38/03/1406343803.db2.gz KLIUSFACYVPJGM-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001698701935 1406344523 /nfs/dbraw/zinc/34/45/23/1406344523.db2.gz WLMBSBJKMWNYLE-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001322852606 1387247018 /nfs/dbraw/zinc/24/70/18/1387247018.db2.gz SGGSPNPPWQDKLI-UXHICEINSA-N 2 0 345.531 3.450 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001322852217 1387247229 /nfs/dbraw/zinc/24/72/29/1387247229.db2.gz KJBREOKNQHGAHV-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)C1(C(=O)NCc2ccc(C[NH2+]CC3CCCC3)cc2)CCC1 ZINC001698717272 1406361334 /nfs/dbraw/zinc/36/13/34/1406361334.db2.gz FZOUDNSIOWTTHO-UHFFFAOYSA-N 2 0 343.515 3.067 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001330515447 1389441589 /nfs/dbraw/zinc/44/15/89/1389441589.db2.gz YAXUZQDVNAYLIH-ONEGZZNKSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)C[C@@]2(C)C1 ZINC001330524686 1389443295 /nfs/dbraw/zinc/44/32/95/1389443295.db2.gz FDKFIMVYJWUJBB-UKAVVXHISA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053781 1389612078 /nfs/dbraw/zinc/61/20/78/1389612078.db2.gz MSKWVOULUJWTHP-HKUYNNGSSA-N 2 0 337.552 3.218 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001331438978 1389748950 /nfs/dbraw/zinc/74/89/50/1389748950.db2.gz KVCNEOPRMBAGKI-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCC1CCCC1 ZINC001331519141 1389780790 /nfs/dbraw/zinc/78/07/90/1389780790.db2.gz NASXYSDSIJBBID-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748720 1406399365 /nfs/dbraw/zinc/39/93/65/1406399365.db2.gz PALFMNDWTAUXPK-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750473 1406401583 /nfs/dbraw/zinc/40/15/83/1406401583.db2.gz YFNBHQDGMCDBHG-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001331920634 1389911311 /nfs/dbraw/zinc/91/13/11/1389911311.db2.gz ZSBULAULDLQIBI-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332109703 1389987668 /nfs/dbraw/zinc/98/76/68/1389987668.db2.gz GYQZYUYFBSBQIW-CUWPLCDZSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001332117448 1389994532 /nfs/dbraw/zinc/99/45/32/1389994532.db2.gz MHWZXQZDWONIPC-DSKINZAPSA-N 2 0 343.515 3.201 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001332187074 1390030353 /nfs/dbraw/zinc/03/03/53/1390030353.db2.gz WCTFXVHPZBWIFT-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)CC1(C)C ZINC001332396735 1390105115 /nfs/dbraw/zinc/10/51/15/1390105115.db2.gz FQOMCQOUSWIJOL-GOSISDBHSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)CC1CCCCCC1)C(C)C)[NH+](C)C ZINC001332711556 1390164894 /nfs/dbraw/zinc/16/48/94/1390164894.db2.gz SKGYDXHKAFIMGH-LJQANCHMSA-N 2 0 339.568 3.466 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001332808766 1390192078 /nfs/dbraw/zinc/19/20/78/1390192078.db2.gz NVGPETICGAHSBB-NXHRZFHOSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C)[NH+](C)C ZINC001332859434 1390203025 /nfs/dbraw/zinc/20/30/25/1390203025.db2.gz HXECTZOGZPFDJI-ZWKOTPCHSA-N 2 0 337.552 3.338 10 0 EGAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]CCc1ccns1 ZINC001332883719 1390208769 /nfs/dbraw/zinc/20/87/69/1390208769.db2.gz AZHLKFOULIJGGD-HOTGVXAUSA-N 2 0 329.513 3.432 10 0 EGAERP CCCC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001486441975 1391009177 /nfs/dbraw/zinc/00/91/77/1391009177.db2.gz XERYWAMXKFXNII-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2c[nH]nc2C(C)(C)C)(c2ccccc2)CC1 ZINC001351782329 1391689923 /nfs/dbraw/zinc/68/99/23/1391689923.db2.gz IKFCVYKDSRYROY-UHFFFAOYSA-N 2 0 340.515 3.460 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCCC2CCCC2)CC[N@@H+]1C ZINC001698828848 1406522550 /nfs/dbraw/zinc/52/25/50/1406522550.db2.gz YJVVEYFMWHRTLJ-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001354019180 1392115508 /nfs/dbraw/zinc/11/55/08/1392115508.db2.gz KUIPPRFKFLXESS-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001698848953 1406550815 /nfs/dbraw/zinc/55/08/15/1406550815.db2.gz VGDRNWODZXYAKZ-MRXNPFEDSA-N 2 0 333.520 3.235 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001479614808 1392288166 /nfs/dbraw/zinc/28/81/66/1392288166.db2.gz SSSMBPIVDLYKHR-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001479694519 1392325432 /nfs/dbraw/zinc/32/54/32/1392325432.db2.gz QEWNQGNOVLRRRL-CTNGQTDRSA-N 2 0 349.563 3.413 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1C ZINC001479707002 1392331354 /nfs/dbraw/zinc/33/13/54/1392331354.db2.gz ZSHIBASDENZRDB-IBQUMJASSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001479771545 1392378298 /nfs/dbraw/zinc/37/82/98/1392378298.db2.gz FYFVSUNKBCPCSM-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828887 1392415829 /nfs/dbraw/zinc/41/58/29/1392415829.db2.gz GLLFSFYKMJBDEC-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1CCCCCC1)C1CC1 ZINC001479866324 1392444035 /nfs/dbraw/zinc/44/40/35/1392444035.db2.gz LWKAVSMNXLDAOQ-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001479995661 1392527562 /nfs/dbraw/zinc/52/75/62/1392527562.db2.gz SHVOSPCXIMWCHI-VOTSOKGWSA-N 2 0 349.563 3.388 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]([NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001480055094 1392553890 /nfs/dbraw/zinc/55/38/90/1392553890.db2.gz JXVMPJYJFUQNOK-FQEVSTJZSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CC2=CCCCC2)C1 ZINC001480089794 1392579914 /nfs/dbraw/zinc/57/99/14/1392579914.db2.gz VOOHZMJUPCGYML-HXUWFJFHSA-N 2 0 349.563 3.389 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480285412 1392659806 /nfs/dbraw/zinc/65/98/06/1392659806.db2.gz IAMSZBDWUNMGKY-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001480285413 1392659821 /nfs/dbraw/zinc/65/98/21/1392659821.db2.gz IAMSZBDWUNMGKY-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)C)C1 ZINC001480357586 1392703638 /nfs/dbraw/zinc/70/36/38/1392703638.db2.gz ACLMDOGURAWBNY-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1 ZINC001480407955 1392744929 /nfs/dbraw/zinc/74/49/29/1392744929.db2.gz KFKLFVWNJVUKAJ-WWDZGPRUSA-N 2 0 331.504 3.025 10 0 EGAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001480596467 1392811674 /nfs/dbraw/zinc/81/16/74/1392811674.db2.gz JZKCKKATXFBXTD-QGZVFWFLSA-N 2 0 343.515 3.034 10 0 EGAERP C[C@@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001480621070 1392824283 /nfs/dbraw/zinc/82/42/83/1392824283.db2.gz JVMYVXKDGCFKPF-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001480649234 1392836173 /nfs/dbraw/zinc/83/61/73/1392836173.db2.gz SWAFUXYLHWYUNJ-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CCC1 ZINC001480696315 1392859959 /nfs/dbraw/zinc/85/99/59/1392859959.db2.gz HOFHHMDKGNJOHE-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001480730536 1392893441 /nfs/dbraw/zinc/89/34/41/1392893441.db2.gz KEGRTEUQLSYAJG-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001480737848 1392903989 /nfs/dbraw/zinc/90/39/89/1392903989.db2.gz AKCHNUORCJNJOW-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480774122 1392925416 /nfs/dbraw/zinc/92/54/16/1392925416.db2.gz ZCRRYFYDPGDUKV-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480787005 1392933075 /nfs/dbraw/zinc/93/30/75/1392933075.db2.gz XWAXIUGDLDXFEE-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001698875807 1406600038 /nfs/dbraw/zinc/60/00/38/1406600038.db2.gz PVUJHUJTLYAYDI-QGZVFWFLSA-N 2 0 342.487 3.343 10 0 EGAERP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001480812822 1392950773 /nfs/dbraw/zinc/95/07/73/1392950773.db2.gz CXVULPZRXJSNTN-XLIONFOSSA-N 2 0 343.515 3.034 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001480813190 1392950875 /nfs/dbraw/zinc/95/08/75/1392950875.db2.gz GAUTWHFTHAQJCK-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001480823331 1392961676 /nfs/dbraw/zinc/96/16/76/1392961676.db2.gz HXHHKITVIKKMQB-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@@H]1CC[NH+](C)C1)CCC1CCCCCC1 ZINC001481011875 1393088289 /nfs/dbraw/zinc/08/82/89/1393088289.db2.gz QGPQSZQJWHXRHI-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481336999 1393166584 /nfs/dbraw/zinc/16/65/84/1393166584.db2.gz NXKWJLOXLQYVHE-ZHHRLCKPSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCCC1 ZINC001698906521 1406640249 /nfs/dbraw/zinc/64/02/49/1406640249.db2.gz FYEHOACJZQZWKU-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001698918970 1406653607 /nfs/dbraw/zinc/65/36/07/1406653607.db2.gz ZCWCJUKVBFZOAW-FBQMEGEOSA-N 2 0 349.563 3.435 10 0 EGAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001481361539 1394200757 /nfs/dbraw/zinc/20/07/57/1394200757.db2.gz ZMBUZKZSNWVAEP-RTBURBONSA-N 2 0 331.504 3.061 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001481406917 1394261638 /nfs/dbraw/zinc/26/16/38/1394261638.db2.gz XMILRKCNEBRARG-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001490666066 1394290174 /nfs/dbraw/zinc/29/01/74/1394290174.db2.gz XZLFUNYTMJJNJY-AZUAARDMSA-N 2 0 347.547 3.092 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772479 1394334091 /nfs/dbraw/zinc/33/40/91/1394334091.db2.gz NNIHKZSZSFCUNG-ICSRJNTNSA-N 2 0 345.531 3.260 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001481506653 1394353888 /nfs/dbraw/zinc/35/38/88/1394353888.db2.gz IUAGNIWNUOZQPO-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001490838238 1394359076 /nfs/dbraw/zinc/35/90/76/1394359076.db2.gz QCEHFAVILPQWDW-ABQVSZSXSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001490976757 1394389821 /nfs/dbraw/zinc/38/98/21/1394389821.db2.gz GWOJDZYPOIHKIH-OHSMVPPVSA-N 2 0 343.515 3.199 10 0 EGAERP CC1CCC(C[NH+]2CC(NC(=O)CC[N@H+](C)C3CCCCC3)C2)CC1 ZINC001481572762 1394410299 /nfs/dbraw/zinc/41/02/99/1394410299.db2.gz CTCFDCONLMBKRA-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1C[N@H+]1CCC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001491125659 1394442197 /nfs/dbraw/zinc/44/21/97/1394442197.db2.gz NRPLCCIPLPNODR-LJQANCHMSA-N 2 0 345.531 3.055 10 0 EGAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001491154681 1394453468 /nfs/dbraw/zinc/45/34/68/1394453468.db2.gz UVYDSRSCXWHFHK-UYAOXDASSA-N 2 0 347.547 3.022 10 0 EGAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001491154673 1394453516 /nfs/dbraw/zinc/45/35/16/1394453516.db2.gz UVYDSRSCXWHFHK-AZUAARDMSA-N 2 0 347.547 3.022 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481727803 1394478337 /nfs/dbraw/zinc/47/83/37/1394478337.db2.gz SVBWMUNBINWTAJ-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCCC[N@@H+]1CC/C=C\c1ccccc1 ZINC001491223836 1394481407 /nfs/dbraw/zinc/48/14/07/1394481407.db2.gz FELVIQCFHKPTSB-KUMUZEIWSA-N 2 0 343.515 3.012 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481743280 1394489391 /nfs/dbraw/zinc/48/93/91/1394489391.db2.gz CQKGZBXNDHKBRP-FNYRVFDFSA-N 2 0 335.536 3.138 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237161 1394489485 /nfs/dbraw/zinc/48/94/85/1394489485.db2.gz QVRBNZYUTOSVPN-RTLBZRNLSA-N 2 0 335.536 3.189 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481753280 1394497688 /nfs/dbraw/zinc/49/76/88/1394497688.db2.gz RJHAEXRQVJQKFY-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001481781105 1394526074 /nfs/dbraw/zinc/52/60/74/1394526074.db2.gz AEKSPPACJITDRF-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CC[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001481818472 1394544692 /nfs/dbraw/zinc/54/46/92/1394544692.db2.gz UMRDPMQHRCTYFZ-QGZVFWFLSA-N 2 0 349.544 3.408 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854080 1394560329 /nfs/dbraw/zinc/56/03/29/1394560329.db2.gz ASFCBURWKASUDQ-PMACEKPBSA-N 2 0 345.531 3.242 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855287 1394561096 /nfs/dbraw/zinc/56/10/96/1394561096.db2.gz KNVUZQAMRLSUCS-ICSRJNTNSA-N 2 0 345.531 3.244 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001698955748 1406702567 /nfs/dbraw/zinc/70/25/67/1406702567.db2.gz XXYNOBUEMSQMBH-UHFFFAOYSA-N 2 0 345.531 3.007 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC(CC[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001481999937 1394659340 /nfs/dbraw/zinc/65/93/40/1394659340.db2.gz APWFAYPRGXWKRA-SFHVURJKSA-N 2 0 339.568 3.227 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC(CC[NH2+]CCC3CCCC3)CC2)CC1 ZINC001482002141 1394661627 /nfs/dbraw/zinc/66/16/27/1394661627.db2.gz AQJAYBYMJOATMI-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)C1 ZINC001482035029 1394695398 /nfs/dbraw/zinc/69/53/98/1394695398.db2.gz LFPXHFREOLNMRQ-LJQANCHMSA-N 2 0 345.531 3.170 10 0 EGAERP CC/C=C/CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001482046946 1394708752 /nfs/dbraw/zinc/70/87/52/1394708752.db2.gz PVFLVYXYOFOHJJ-HOHWPDKRSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001482071146 1394734356 /nfs/dbraw/zinc/73/43/56/1394734356.db2.gz ALWFOZYCEZRJLL-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)CCC1 ZINC001482221672 1394815265 /nfs/dbraw/zinc/81/52/65/1394815265.db2.gz PBICWGQWHBECBO-UHFFFAOYSA-N 2 0 347.547 3.380 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1CCCCC1 ZINC001482436566 1394997531 /nfs/dbraw/zinc/99/75/31/1394997531.db2.gz VOYVPBUWNOFLBZ-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1CCCC1 ZINC001698969583 1406732196 /nfs/dbraw/zinc/73/21/96/1406732196.db2.gz AGWBYEKSEJADRG-GOSISDBHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482471191 1395025794 /nfs/dbraw/zinc/02/57/94/1395025794.db2.gz IUINCRMXSFJXSP-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001482481645 1395035618 /nfs/dbraw/zinc/03/56/18/1395035618.db2.gz PAGSKPWYZCTBLK-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007299 1395181583 /nfs/dbraw/zinc/18/15/83/1395181583.db2.gz BGCYYNCNLXHOFG-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)CC[N@@H+]1C ZINC001484017728 1395189565 /nfs/dbraw/zinc/18/95/65/1395189565.db2.gz SXZDGSQDTFCBHQ-AKHDSKFASA-N 2 0 349.563 3.218 10 0 EGAERP CCC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001484145902 1395282103 /nfs/dbraw/zinc/28/21/03/1395282103.db2.gz KWPKRSUHDQMUDE-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484161505 1395296030 /nfs/dbraw/zinc/29/60/30/1395296030.db2.gz WTHJDAYIGCAJGH-WHXUGTBJSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCC1)C2)CC(C)(C)C ZINC001484320064 1395338400 /nfs/dbraw/zinc/33/84/00/1395338400.db2.gz HUAULWGFRCAWGP-FHWLQOOXSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484358987 1395345585 /nfs/dbraw/zinc/34/55/85/1395345585.db2.gz QKBMWVQFTMPVOZ-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC3CCCCC3)C[C@H]21 ZINC001484473179 1395408158 /nfs/dbraw/zinc/40/81/58/1395408158.db2.gz YUQWNZGYYQMPNZ-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001484560796 1395444337 /nfs/dbraw/zinc/44/43/37/1395444337.db2.gz HJEAIXPIBFUPBR-FCEWJHQRSA-N 2 0 331.504 3.094 10 0 EGAERP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001484561919 1395447620 /nfs/dbraw/zinc/44/76/20/1395447620.db2.gz SKPVBDGOZNPNQX-FOIQADDNSA-N 2 0 349.494 3.186 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)CC1 ZINC001484721877 1395484114 /nfs/dbraw/zinc/48/41/14/1395484114.db2.gz CNDGSUBIJYCNQJ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)CCC)C2 ZINC001484831659 1395569094 /nfs/dbraw/zinc/56/90/94/1395569094.db2.gz TUHRXMROGVQAHJ-HXUWFJFHSA-N 2 0 337.552 3.223 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CC2=CCCCC2)CC1 ZINC001484927421 1395594623 /nfs/dbraw/zinc/59/46/23/1395594623.db2.gz RDSRFRPFUWFNSC-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001485040718 1395646949 /nfs/dbraw/zinc/64/69/49/1395646949.db2.gz ZMVAACWZXWSYTN-PXPVJAHISA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001485161189 1395676765 /nfs/dbraw/zinc/67/67/65/1395676765.db2.gz AUIZTCFYKFSXKK-ZWKOTPCHSA-N 2 0 347.547 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001485310046 1395788166 /nfs/dbraw/zinc/78/81/66/1395788166.db2.gz OHHNAGHBCGRYIK-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485336450 1395808846 /nfs/dbraw/zinc/80/88/46/1395808846.db2.gz KREFCUYBWVHINA-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001698996068 1406793927 /nfs/dbraw/zinc/79/39/27/1406793927.db2.gz QBMAIBXPUUMRPJ-HKUYNNGSSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001485482428 1395966009 /nfs/dbraw/zinc/96/60/09/1395966009.db2.gz LPQSCCVQSIJNHQ-JROGSOPMSA-N 2 0 346.519 3.305 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521627 1395995533 /nfs/dbraw/zinc/99/55/33/1395995533.db2.gz DBELPCNVCXSDQB-FXAWDEMLSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001485695070 1396104692 /nfs/dbraw/zinc/10/46/92/1396104692.db2.gz ACAHBAMCBNVBTG-ZHALLVOQSA-N 2 0 345.531 3.210 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723114 1396118157 /nfs/dbraw/zinc/11/81/57/1396118157.db2.gz XODANTSKXFOWOU-MJGOQNOKSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](CCC[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485741244 1396127810 /nfs/dbraw/zinc/12/78/10/1396127810.db2.gz YNXCTMATZNCSJO-INIZCTEOSA-N 2 0 325.541 3.029 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001485740556 1396127880 /nfs/dbraw/zinc/12/78/80/1396127880.db2.gz POXVWKQZZXHFJL-GOSISDBHSA-N 2 0 345.531 3.101 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001486090136 1396176659 /nfs/dbraw/zinc/17/66/59/1396176659.db2.gz FQNDUGLHHDGMSA-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001499955873 1396185346 /nfs/dbraw/zinc/18/53/46/1396185346.db2.gz YTGYGNVIWLNQBM-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CC3CCC3)C(C)(C)C2)CCCCC1 ZINC001486238631 1396186831 /nfs/dbraw/zinc/18/68/31/1396186831.db2.gz PYDLDSALBUIDIR-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C\c1ccccc1 ZINC001503290825 1396250237 /nfs/dbraw/zinc/25/02/37/1396250237.db2.gz QGQANUZOKUCTGY-KYMVGKDXSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001503473284 1396255580 /nfs/dbraw/zinc/25/55/80/1396255580.db2.gz KJXGCSTXGMSFCR-SJORKVTESA-N 2 0 337.552 3.029 10 0 EGAERP Cc1ccccc1C[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001491959641 1396300814 /nfs/dbraw/zinc/30/08/14/1396300814.db2.gz OICLKQKWCMGYLY-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001492092410 1396303848 /nfs/dbraw/zinc/30/38/48/1396303848.db2.gz PSXRMDKGPJRTRJ-QUCCMNQESA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877990 1396327812 /nfs/dbraw/zinc/32/78/12/1396327812.db2.gz FHGQPUVMRWZXOW-QFBILLFUSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001493831902 1396343569 /nfs/dbraw/zinc/34/35/69/1396343569.db2.gz QJDFTXKKMQFYBV-QUCCMNQESA-N 2 0 349.563 3.290 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001494301633 1396423975 /nfs/dbraw/zinc/42/39/75/1396423975.db2.gz YFWYJRKYLWNVQE-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)C[NH2+]CC1CCC(C)CC1 ZINC001495742912 1396553751 /nfs/dbraw/zinc/55/37/51/1396553751.db2.gz LBAYPQYRKUVYKU-LXPRWKDFSA-N 2 0 339.568 3.133 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001496083054 1396598251 /nfs/dbraw/zinc/59/82/51/1396598251.db2.gz UHUSGAIWUUGDHR-DDUKWOAZSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001496295327 1396636756 /nfs/dbraw/zinc/63/67/56/1396636756.db2.gz KQXDERWCKPGKAD-CTWPCTMYSA-N 2 0 337.552 3.029 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001496350674 1396660839 /nfs/dbraw/zinc/66/08/39/1396660839.db2.gz KWDIJXWLXZROPX-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC1CCC(C[N@H+](C)CCN(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001699010478 1406838544 /nfs/dbraw/zinc/83/85/44/1406838544.db2.gz BKOQWALRFCGQBG-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001496392316 1396685191 /nfs/dbraw/zinc/68/51/91/1396685191.db2.gz UQYGLBHAKAVMSB-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001496730507 1396725742 /nfs/dbraw/zinc/72/57/42/1396725742.db2.gz UTZFPRFGYSGECZ-QUCCMNQESA-N 2 0 345.531 3.239 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CC[NH2+]CC2=CCCCC2)CC1 ZINC001497300207 1396746640 /nfs/dbraw/zinc/74/66/40/1396746640.db2.gz NIMDVSPQQGHCGZ-KRWDZBQOSA-N 2 0 335.536 3.092 10 0 EGAERP CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689054710 1396853039 /nfs/dbraw/zinc/85/30/39/1396853039.db2.gz AGRFGZRIBFBKNK-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001689100172 1396908058 /nfs/dbraw/zinc/90/80/58/1396908058.db2.gz QNSBSOHZCSGRDN-XLIONFOSSA-N 2 0 345.531 3.031 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001498132823 1396924383 /nfs/dbraw/zinc/92/43/83/1396924383.db2.gz ROCUAJWHDJAGET-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)[C@H]1CC ZINC001689174129 1396958697 /nfs/dbraw/zinc/95/86/97/1396958697.db2.gz DKWXUAXXERSLCI-ZWKOTPCHSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1Cc1ccccc1 ZINC001689176664 1396959892 /nfs/dbraw/zinc/95/98/92/1396959892.db2.gz HACLRCYWHKUZMC-HSALFYBXSA-N 2 0 343.515 3.030 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC/C=C\c1ccccc1 ZINC001689186323 1396963824 /nfs/dbraw/zinc/96/38/24/1396963824.db2.gz GMQOXWKRZHGZKN-MYPZJPOHSA-N 2 0 343.515 3.011 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001689267943 1396999309 /nfs/dbraw/zinc/99/93/09/1396999309.db2.gz UUDOEUUDXRPEGO-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001498454992 1397000428 /nfs/dbraw/zinc/00/04/28/1397000428.db2.gz HBCQHTNFBMWTBK-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001689271494 1397005591 /nfs/dbraw/zinc/00/55/91/1397005591.db2.gz LAOJVYKLRDNCFI-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001498483181 1397028667 /nfs/dbraw/zinc/02/86/67/1397028667.db2.gz AGXFKAVWNAZUTE-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001498483758 1397029922 /nfs/dbraw/zinc/02/99/22/1397029922.db2.gz GGLIBIVGSQTHNV-IEBWSBKVSA-N 2 0 349.563 3.314 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001689348752 1397048460 /nfs/dbraw/zinc/04/84/60/1397048460.db2.gz INTRFGNVIJNOQT-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001731999546 1428209865 /nfs/dbraw/zinc/20/98/65/1428209865.db2.gz FSUBQDHIVZKRQB-ROUUACIJSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001689362517 1403698269 /nfs/dbraw/zinc/69/82/69/1403698269.db2.gz ALIVALHYKISOHG-JTHGQSKGSA-N 2 0 337.552 3.291 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCCC[N@@H+](C)Cc1ccccc1 ZINC001689812705 1404152612 /nfs/dbraw/zinc/15/26/12/1404152612.db2.gz NUYKWECXVBTTMC-UHFFFAOYSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CC1CC(C)(C)C1 ZINC001689858169 1404173330 /nfs/dbraw/zinc/17/33/30/1404173330.db2.gz FTZCLRCNXSJZIP-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689911222 1404204108 /nfs/dbraw/zinc/20/41/08/1404204108.db2.gz CMKVAEHZPSEBLE-ASIGSXEYSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001689964886 1404230160 /nfs/dbraw/zinc/23/01/60/1404230160.db2.gz AGVOLVJSSXOJAG-IRXDYDNUSA-N 2 0 349.494 3.057 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001690295545 1404455700 /nfs/dbraw/zinc/45/57/00/1404455700.db2.gz ZXRJGYQXJKBOFN-MXVIHJGJSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001690317771 1404473179 /nfs/dbraw/zinc/47/31/79/1404473179.db2.gz KNJGFEWAHZDJEZ-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP O=C(N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690342071 1404484459 /nfs/dbraw/zinc/48/44/59/1404484459.db2.gz YTCYMVBIYUQLCF-WSTZPKSXSA-N 2 0 347.547 3.211 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690355331 1404490064 /nfs/dbraw/zinc/49/00/64/1404490064.db2.gz VQUAOGFGOXSKEM-FFZOFVMBSA-N 2 0 345.531 3.450 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001690359462 1404493811 /nfs/dbraw/zinc/49/38/11/1404493811.db2.gz BMHHMWMMFXHXEH-KDURUIRLSA-N 2 0 331.504 3.035 10 0 EGAERP CC1(C)CCC(C[N@@H+]2CCC[C@@H](CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001690393435 1404534913 /nfs/dbraw/zinc/53/49/13/1404534913.db2.gz CNASOJSYTGRGAO-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCC2=CCCCC2)CCC1 ZINC001690471491 1404595760 /nfs/dbraw/zinc/59/57/60/1404595760.db2.gz IVWZVIYTWUXGJZ-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001690487438 1404602267 /nfs/dbraw/zinc/60/22/67/1404602267.db2.gz UABJWRKBIURDSA-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(N[C@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001690785724 1404732900 /nfs/dbraw/zinc/73/29/00/1404732900.db2.gz XSNQAYJQZZMZTB-MOPGFXCFSA-N 2 0 347.547 3.070 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001690815474 1404750975 /nfs/dbraw/zinc/75/09/75/1404750975.db2.gz UTQZTIYXPTWOJF-LIXSYLKWSA-N 2 0 335.536 3.140 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690823427 1404760236 /nfs/dbraw/zinc/76/02/36/1404760236.db2.gz YFLSXFYFBXCXDA-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+][C@H](C)CCNC(=O)CC[NH+](C)C ZINC001690860791 1404781982 /nfs/dbraw/zinc/78/19/82/1404781982.db2.gz HWVPENMXJGWLLG-QGZVFWFLSA-N 2 0 341.499 3.084 10 0 EGAERP C[C@H](c1cccc2ccccc21)[N@H+](C)CCNC(=O)C[NH+]1CCCC1 ZINC001690996610 1404913096 /nfs/dbraw/zinc/91/30/96/1404913096.db2.gz LRVAZJVMKAFHHN-QGZVFWFLSA-N 2 0 339.483 3.045 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691090020 1405025432 /nfs/dbraw/zinc/02/54/32/1405025432.db2.gz ZQLHIGLHCBEMDJ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691102494 1405041851 /nfs/dbraw/zinc/04/18/51/1405041851.db2.gz IVZIZSKKFNSIPN-KKHYBRAUSA-N 2 0 343.515 3.299 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001691108501 1405049310 /nfs/dbraw/zinc/04/93/10/1405049310.db2.gz KJJWKECGRQPOTP-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CCC(C)(C)C)C2CC2)C1 ZINC001691221527 1405162095 /nfs/dbraw/zinc/16/20/95/1405162095.db2.gz PXQFBTVOVKWXCD-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC1CC(C)C1)CC2 ZINC001691277064 1405188337 /nfs/dbraw/zinc/18/83/37/1405188337.db2.gz NJFHAACDZVZVGD-XBMUEBEBSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001691612461 1405356824 /nfs/dbraw/zinc/35/68/24/1405356824.db2.gz DQCBJMNZHZYXNR-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691614143 1405357454 /nfs/dbraw/zinc/35/74/54/1405357454.db2.gz UUDOEUUDXRPEGO-YSKLNCTFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001691628721 1405365900 /nfs/dbraw/zinc/36/59/00/1405365900.db2.gz BCIGVYOQHCFGPQ-AZUAARDMSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001691686452 1405421650 /nfs/dbraw/zinc/42/16/50/1405421650.db2.gz KKEFXRNOZRUCOF-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001691689570 1405423875 /nfs/dbraw/zinc/42/38/75/1405423875.db2.gz HLZRWBULNJKYSP-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691757966 1405475180 /nfs/dbraw/zinc/47/51/80/1405475180.db2.gz OXPLDHUXHLDKKO-XLAORIBOSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001691760982 1405476444 /nfs/dbraw/zinc/47/64/44/1405476444.db2.gz OWOLQMCFZSMFJY-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001691760314 1405476600 /nfs/dbraw/zinc/47/66/00/1405476600.db2.gz ROUFKWUVLMVWCI-HJMWAZGYSA-N 2 0 343.943 3.076 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001691798741 1405510135 /nfs/dbraw/zinc/51/01/35/1405510135.db2.gz OASNCGOAJBIUSH-RXVVDRJESA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001691819585 1405536404 /nfs/dbraw/zinc/53/64/04/1405536404.db2.gz WQAZOTLPWOHCEP-GHOSXJJBSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691832288 1405545794 /nfs/dbraw/zinc/54/57/94/1405545794.db2.gz ZDKQIRVUKUXZGF-BMOGMMAESA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC=C(C)C)C1 ZINC001691834052 1405548019 /nfs/dbraw/zinc/54/80/19/1405548019.db2.gz AOKCNAIEBDSERL-AQNXPRMDSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCCC3)[C@H]2C1(C)C ZINC001691919913 1405648806 /nfs/dbraw/zinc/64/88/06/1405648806.db2.gz RJXPFFXTSHLJKK-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001691965804 1405682924 /nfs/dbraw/zinc/68/29/24/1405682924.db2.gz UWJFTQJYGBPRLA-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001692027658 1405746386 /nfs/dbraw/zinc/74/63/86/1405746386.db2.gz ZJFFNFUXLZDSCT-ZWKOTPCHSA-N 2 0 349.544 3.093 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C\Cl)[NH+](CC)CC ZINC001692086012 1405765914 /nfs/dbraw/zinc/76/59/14/1405765914.db2.gz LGKNFUIKQKWGQJ-UHJSDWAESA-N 2 0 343.943 3.076 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C/Cl)[NH+](CC)CC ZINC001692086011 1405766112 /nfs/dbraw/zinc/76/61/12/1405766112.db2.gz LGKNFUIKQKWGQJ-SAJLVSOWSA-N 2 0 343.943 3.076 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCC(C)C)C1 ZINC001692121739 1405783869 /nfs/dbraw/zinc/78/38/69/1405783869.db2.gz XJQGIGZGQAYVOC-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001692317985 1405937052 /nfs/dbraw/zinc/93/70/52/1405937052.db2.gz KBVHTEWBLMAPJA-AATRIKPKSA-N 2 0 340.471 3.051 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2C[NH+](CC3=CCCCC3)C2)CCCCC1 ZINC001692321101 1405939527 /nfs/dbraw/zinc/93/95/27/1405939527.db2.gz VZFYKLGQHSOUOW-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692333224 1405952667 /nfs/dbraw/zinc/95/26/67/1405952667.db2.gz LRPFTALEGVVBIS-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001692366519 1405976325 /nfs/dbraw/zinc/97/63/25/1405976325.db2.gz BSRNLSRGYPSABB-UFYCRDLUSA-N 2 0 347.547 3.259 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384728 1405990328 /nfs/dbraw/zinc/99/03/28/1405990328.db2.gz YMVUDWGPCIHXIR-UVEXCMSLSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001732022676 1428240508 /nfs/dbraw/zinc/24/05/08/1428240508.db2.gz BNLBYWYMGOQGDC-MJGOQNOKSA-N 2 0 331.504 3.106 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)c2ccccc2)C1 ZINC001732025246 1428243299 /nfs/dbraw/zinc/24/32/99/1428243299.db2.gz AEYKFPZEPVYSAB-OALUTQOASA-N 2 0 345.531 3.212 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@@H]1CC[N@H+](CCC)C1 ZINC001732036674 1428257890 /nfs/dbraw/zinc/25/78/90/1428257890.db2.gz HLNXRUQYULKRRZ-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1c(C(=O)NCC[C@H]2CC[N@@H+](CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001732051130 1428290785 /nfs/dbraw/zinc/29/07/85/1428290785.db2.gz OLAWMBOSXOISFR-KRWDZBQOSA-N 2 0 342.487 3.131 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732078976 1428331904 /nfs/dbraw/zinc/33/19/04/1428331904.db2.gz BSGHHXFZLIVGKH-OALUTQOASA-N 2 0 345.531 3.260 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001732082850 1428338753 /nfs/dbraw/zinc/33/87/53/1428338753.db2.gz FTVVBZANGPELOW-DLBZAZTESA-N 2 0 349.494 3.007 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001732088454 1428351432 /nfs/dbraw/zinc/35/14/32/1428351432.db2.gz LZBXTZQKVLDWRR-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221876 1428470380 /nfs/dbraw/zinc/47/03/80/1428470380.db2.gz HHXKRIPGIKFXLY-UYAOXDASSA-N 2 0 345.531 3.244 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CC2=CCCCC2)CC1 ZINC001732301908 1428519735 /nfs/dbraw/zinc/51/97/35/1428519735.db2.gz QSSZDOAOQOSZCS-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C\CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001732316357 1428527228 /nfs/dbraw/zinc/52/72/28/1428527228.db2.gz OPGUBDYJLHXPQF-BBIZLLLXSA-N 2 0 343.515 3.233 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001732325372 1428534070 /nfs/dbraw/zinc/53/40/70/1428534070.db2.gz QNJIBVPHZUAOPL-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001732491499 1428614093 /nfs/dbraw/zinc/61/40/93/1428614093.db2.gz QEUXZKWYCQMANA-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCC2)CC1 ZINC001732519135 1428638011 /nfs/dbraw/zinc/63/80/11/1428638011.db2.gz SDYGVDDDCALUSN-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001732523055 1428642170 /nfs/dbraw/zinc/64/21/70/1428642170.db2.gz FEUQVGCFTDFWBF-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001699125004 1412522247 /nfs/dbraw/zinc/52/22/47/1412522247.db2.gz CYSIPXFPSFLWBJ-JKSUJKDBSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001699162372 1412545870 /nfs/dbraw/zinc/54/58/70/1412545870.db2.gz YHVFRAFWEIJPSD-GOSISDBHSA-N 2 0 337.552 3.317 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699197292 1412567825 /nfs/dbraw/zinc/56/78/25/1412567825.db2.gz HSXOVHPTUMXUJS-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001699312944 1412632570 /nfs/dbraw/zinc/63/25/70/1412632570.db2.gz ALOSBCOTXREKSM-OZOYBAPLSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001699369432 1412675638 /nfs/dbraw/zinc/67/56/38/1412675638.db2.gz ZUQYRJCWNSRPJJ-MJGOQNOKSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001699396783 1412711465 /nfs/dbraw/zinc/71/14/65/1412711465.db2.gz KXCNKKJFCNXGLM-MSOLQXFVSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405873 1412718611 /nfs/dbraw/zinc/71/86/11/1412718611.db2.gz LSEHXEOQXNEUMV-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)cc1C ZINC001699506156 1412895513 /nfs/dbraw/zinc/89/55/13/1412895513.db2.gz GUBVDURNQUQANT-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699515601 1412901297 /nfs/dbraw/zinc/90/12/97/1412901297.db2.gz DEDVABYYNJXMRP-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC(C)(C)C ZINC001699539702 1412913793 /nfs/dbraw/zinc/91/37/93/1412913793.db2.gz UMAOTICZGAWKLN-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001699640487 1413018895 /nfs/dbraw/zinc/01/88/95/1413018895.db2.gz LSFJSRGBBKSNDF-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC1CCCC1)C2 ZINC001699695985 1413105160 /nfs/dbraw/zinc/10/51/60/1413105160.db2.gz XMMUITYMJBMHRL-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001699697795 1413109129 /nfs/dbraw/zinc/10/91/29/1413109129.db2.gz TVRBAFOFSZMGNS-OAQYLSRUSA-N 2 0 349.563 3.367 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCC3CCCCC3)C2)C1 ZINC001699707571 1413123428 /nfs/dbraw/zinc/12/34/28/1413123428.db2.gz YSPPWORRCJNHGR-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001699774073 1413182333 /nfs/dbraw/zinc/18/23/33/1413182333.db2.gz GPWVOTZNISVATL-IAGOWNOFSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](CC2CCCCC2)CC1 ZINC001699774167 1413182893 /nfs/dbraw/zinc/18/28/93/1413182893.db2.gz MQWKJFVHLGUCBD-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001699806893 1413220893 /nfs/dbraw/zinc/22/08/93/1413220893.db2.gz VNOQXFGWUSJWTP-UYAOXDASSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001699806939 1413221465 /nfs/dbraw/zinc/22/14/65/1413221465.db2.gz WMPXQTYCKQUXIN-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H](c1cccc(F)c1)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001699865901 1413303929 /nfs/dbraw/zinc/30/39/29/1413303929.db2.gz VZXPQJKPTTWOCE-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001732545462 1428720975 /nfs/dbraw/zinc/72/09/75/1428720975.db2.gz GYQYWGMXUIGTRN-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC(C)(C)CC1)C2 ZINC001699929507 1413370266 /nfs/dbraw/zinc/37/02/66/1413370266.db2.gz SYFLBBCYNDOLMX-FHWLQOOXSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001700011824 1413454296 /nfs/dbraw/zinc/45/42/96/1413454296.db2.gz LKQKDZBACWYTOQ-QRVBRYPASA-N 2 0 335.536 3.115 10 0 EGAERP CCCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+]1C ZINC001700090932 1413503164 /nfs/dbraw/zinc/50/31/64/1413503164.db2.gz ORUGOKPOPSSZEA-IBGZPJMESA-N 2 0 331.504 3.019 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+](C)C)CC1)c1ccccc1F ZINC001700103045 1413520820 /nfs/dbraw/zinc/52/08/20/1413520820.db2.gz LVTBRFPSWZDECC-ULQDDVLXSA-N 2 0 349.494 3.103 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001700137588 1413556003 /nfs/dbraw/zinc/55/60/03/1413556003.db2.gz WUCNIHWHBMBOHK-SFHVURJKSA-N 2 0 335.536 3.212 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001700182392 1413597922 /nfs/dbraw/zinc/59/79/22/1413597922.db2.gz WPVLBFFOVUXZIR-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CC=C(C)C)C2)C1 ZINC001700197868 1413640167 /nfs/dbraw/zinc/64/01/67/1413640167.db2.gz NMLVVWGSYJASNA-UXHICEINSA-N 2 0 349.563 3.245 10 0 EGAERP CCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001700223266 1413671941 /nfs/dbraw/zinc/67/19/41/1413671941.db2.gz SXGWTJBPLQGLCY-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH+]1CCC(CCCCCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001700224020 1413674093 /nfs/dbraw/zinc/67/40/93/1413674093.db2.gz KLYAHZOWVGRJMU-NRFANRHFSA-N 2 0 349.563 3.271 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@]2(CC[NH+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001700227988 1413683674 /nfs/dbraw/zinc/68/36/74/1413683674.db2.gz BDHJDUREYGMLJU-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001700229149 1413686333 /nfs/dbraw/zinc/68/63/33/1413686333.db2.gz IJUJZNDKEKZADA-AUGFPLSNSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700280450 1413725403 /nfs/dbraw/zinc/72/54/03/1413725403.db2.gz LNCZJNKHVXUGDY-SFFCAUCYSA-N 2 0 347.547 3.045 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001700352564 1413846757 /nfs/dbraw/zinc/84/67/57/1413846757.db2.gz BEJAQYOXPVMXRY-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001700354026 1413852218 /nfs/dbraw/zinc/85/22/18/1413852218.db2.gz SWAQQMVVYNRTSS-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@H]2C[NH+](C)CCCC2CCC2)CC[N@@H+]1C ZINC001700355766 1413857257 /nfs/dbraw/zinc/85/72/57/1413857257.db2.gz BAMIWUUZSTYQET-IHPCNDPISA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CCC(C)(C)C ZINC001700361650 1413876360 /nfs/dbraw/zinc/87/63/60/1413876360.db2.gz AJBURXNZLQNUNF-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700404991 1413941912 /nfs/dbraw/zinc/94/19/12/1413941912.db2.gz OLNGVGNUGZUKAA-SJORKVTESA-N 2 0 345.531 3.322 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001700421486 1413972205 /nfs/dbraw/zinc/97/22/05/1413972205.db2.gz JNJIVOYIKYMQCN-HZPDHXFCSA-N 2 0 349.563 3.027 10 0 EGAERP CCc1ccccc1C[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700471646 1414088999 /nfs/dbraw/zinc/08/89/99/1414088999.db2.gz WXELZMINDCVBQR-KRWDZBQOSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001700512126 1414161377 /nfs/dbraw/zinc/16/13/77/1414161377.db2.gz CPVSWHDMANYTHM-CEXWTWQISA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700524317 1414183272 /nfs/dbraw/zinc/18/32/72/1414183272.db2.gz GGVRHJPFBANNRN-JGAFRWBPSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700540264 1414207201 /nfs/dbraw/zinc/20/72/01/1414207201.db2.gz ZRGAPHWCBRQCIR-JTHGQSKGSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700540263 1414207375 /nfs/dbraw/zinc/20/73/75/1414207375.db2.gz ZRGAPHWCBRQCIR-DVBCCOPCSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001700545534 1414213695 /nfs/dbraw/zinc/21/36/95/1414213695.db2.gz JCQPZRXTOWPPRW-HQYUYXFKSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700550919 1414220838 /nfs/dbraw/zinc/22/08/38/1414220838.db2.gz PZNVIFHBZQTOTO-DKRLNXSXSA-N 2 0 343.515 3.155 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001700634205 1414302133 /nfs/dbraw/zinc/30/21/33/1414302133.db2.gz OSNWIZFFQHZWDG-FXVRUJLTSA-N 2 0 340.471 3.097 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001700634758 1414302479 /nfs/dbraw/zinc/30/24/79/1414302479.db2.gz ZVVOSOZZKZIWGI-QAQDUYKDSA-N 2 0 335.536 3.090 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCC3)C2)C1 ZINC001700638908 1414305181 /nfs/dbraw/zinc/30/51/81/1414305181.db2.gz KISVPWAADPNTNQ-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700662894 1414322108 /nfs/dbraw/zinc/32/21/08/1414322108.db2.gz ZJDKJPASCPLDEK-FXAWDEMLSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001700709588 1414364339 /nfs/dbraw/zinc/36/43/39/1414364339.db2.gz PUESHQOPCMXJCI-YSIASYRMSA-N 2 0 345.531 3.352 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001700755061 1414426033 /nfs/dbraw/zinc/42/60/33/1414426033.db2.gz FXAOKRLFYKIUKH-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C[C@@H]1C ZINC001700850657 1414498850 /nfs/dbraw/zinc/49/88/50/1414498850.db2.gz HHGUWWKARQMYOD-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001700850660 1414498962 /nfs/dbraw/zinc/49/89/62/1414498962.db2.gz HHGUWWKARQMYOD-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001701007401 1414664554 /nfs/dbraw/zinc/66/45/54/1414664554.db2.gz SDIZPOUVACFCQC-QGZVFWFLSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001701008168 1414665482 /nfs/dbraw/zinc/66/54/82/1414665482.db2.gz BOUHKOWVNGTKFA-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](CC(=O)NCC1=CC[NH+](CC2CCCCCC2)CC1)C1CCC1 ZINC001701051381 1414707455 /nfs/dbraw/zinc/70/74/55/1414707455.db2.gz YELWNQFUJAEJOT-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001701058933 1414714788 /nfs/dbraw/zinc/71/47/88/1414714788.db2.gz NHRHTAVZQTZEON-BGEOSOQGSA-N 2 0 347.547 3.211 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC001732600523 1428847965 /nfs/dbraw/zinc/84/79/65/1428847965.db2.gz RPYKORKACOPGFV-UHFFFAOYSA-N 2 0 345.531 3.185 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001732703848 1428916967 /nfs/dbraw/zinc/91/69/67/1428916967.db2.gz ZGWWVGVPOZADEU-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(C)c2)C1 ZINC001732719577 1428925693 /nfs/dbraw/zinc/92/56/93/1428925693.db2.gz MKSZTAAQUVEQOX-ICSRJNTNSA-N 2 0 345.531 3.101 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001707070565 1417183298 /nfs/dbraw/zinc/18/32/98/1417183298.db2.gz VFWPTANCULKQHE-GBESFXJTSA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039069 1429166799 /nfs/dbraw/zinc/16/67/99/1429166799.db2.gz RQAFRVGTOLVKDF-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707138902 1417218528 /nfs/dbraw/zinc/21/85/28/1417218528.db2.gz JWHBKLCGZHPFBV-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001707146718 1417221861 /nfs/dbraw/zinc/22/18/61/1417221861.db2.gz VXCFBZSDQPTYBK-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](NC(=O)CCn2ccnc2)CC(C)(C)C1 ZINC001707281657 1417291594 /nfs/dbraw/zinc/29/15/94/1417291594.db2.gz JTPODGPAUVXRSR-GOSISDBHSA-N 2 0 348.535 3.316 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707419227 1417326650 /nfs/dbraw/zinc/32/66/50/1417326650.db2.gz XUSMTUVNJLGYAR-QFBILLFUSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]Cc1ccccc1F ZINC001707436358 1417341309 /nfs/dbraw/zinc/34/13/09/1417341309.db2.gz OVEHUZGDDSOBTC-APWZRJJASA-N 2 0 349.494 3.025 10 0 EGAERP CCc1ccc(C[N@H+](CC)CCCNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001707457508 1417359570 /nfs/dbraw/zinc/35/95/70/1417359570.db2.gz OMQIKBMZRVBBNL-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001712998948 1417550711 /nfs/dbraw/zinc/55/07/11/1417550711.db2.gz IPUCONDOUBBGQN-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001713053190 1417604918 /nfs/dbraw/zinc/60/49/18/1417604918.db2.gz QDHNSTCBCJLVCU-PSCPARJHSA-N 2 0 347.547 3.282 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001713101184 1417654455 /nfs/dbraw/zinc/65/44/55/1417654455.db2.gz PLOWMKRJWMMECV-CEXWTWQISA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001713110417 1417672000 /nfs/dbraw/zinc/67/20/00/1417672000.db2.gz BXWMZMAFGZWKMG-XUVXKRRUSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CCCC(C)(C)C)C1 ZINC001713137009 1417719740 /nfs/dbraw/zinc/71/97/40/1417719740.db2.gz SIQNESMGPVXIJQ-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C)[NH+](CC)CC ZINC001713179391 1417753021 /nfs/dbraw/zinc/75/30/21/1417753021.db2.gz LIJNEOYPGAMSMI-XVLXNVKGSA-N 2 0 335.536 3.185 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001713184641 1417760424 /nfs/dbraw/zinc/76/04/24/1417760424.db2.gz MISYLIJFBPTRAV-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001713205747 1417776385 /nfs/dbraw/zinc/77/63/85/1417776385.db2.gz PBQKIWFPXCZKKB-ZJPYXAASSA-N 2 0 337.552 3.170 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713252191 1417843461 /nfs/dbraw/zinc/84/34/61/1417843461.db2.gz SJIVHZONLZZOQP-OXPKLIQGSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001713254225 1417850546 /nfs/dbraw/zinc/85/05/46/1417850546.db2.gz YWSIDRMAOFDZHQ-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001713270956 1417884212 /nfs/dbraw/zinc/88/42/12/1417884212.db2.gz VZTASDNJDXOEKH-YSKLNCTFSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001713279858 1417905485 /nfs/dbraw/zinc/90/54/85/1417905485.db2.gz VHAQYEBMRMDLNG-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001713316398 1417941428 /nfs/dbraw/zinc/94/14/28/1417941428.db2.gz QBGUVHSFISCLNP-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001733069332 1429224656 /nfs/dbraw/zinc/22/46/56/1429224656.db2.gz ZWLUIOKFTZXJAU-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713382709 1417993208 /nfs/dbraw/zinc/99/32/08/1417993208.db2.gz SRFPORBULFOJHN-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001713414759 1418038065 /nfs/dbraw/zinc/03/80/65/1418038065.db2.gz LQAIHAJYTUUALA-SJORKVTESA-N 2 0 325.541 3.029 10 0 EGAERP CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733076183 1429230751 /nfs/dbraw/zinc/23/07/51/1429230751.db2.gz NWXPIVZHUCQSCQ-SJLPKXTDSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@@H]2CCCNC(=O)[C@@H]2CCC[N@H+]2C)cs1 ZINC001713428450 1418055820 /nfs/dbraw/zinc/05/58/20/1418055820.db2.gz XKYLQXMJEOIDCJ-ROUUACIJSA-N 2 0 349.544 3.012 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713438352 1418071138 /nfs/dbraw/zinc/07/11/38/1418071138.db2.gz AHNPIFBDNABSGK-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001713456654 1418107781 /nfs/dbraw/zinc/10/77/81/1418107781.db2.gz WOFXIGCXBKYYAA-RTBURBONSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001713473286 1418147837 /nfs/dbraw/zinc/14/78/37/1418147837.db2.gz SXDCLMNTDXEPSK-ROUUACIJSA-N 2 0 345.531 3.261 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2cccc(C)c2)CC[N@@H+]1C ZINC001733100891 1429242888 /nfs/dbraw/zinc/24/28/88/1429242888.db2.gz CRDFZFFAQSNDML-YSIASYRMSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713538307 1418294031 /nfs/dbraw/zinc/29/40/31/1418294031.db2.gz IOPKLCVAQZJWPK-CQQBRXBZSA-N 2 0 335.536 3.044 10 0 EGAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733122565 1429251126 /nfs/dbraw/zinc/25/11/26/1429251126.db2.gz VXNHZUUQDRLXEC-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001713558789 1418354790 /nfs/dbraw/zinc/35/47/90/1418354790.db2.gz UYELVVBCSNBRBO-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@@H](C)c2ccccc2)CC1 ZINC001713683997 1418436658 /nfs/dbraw/zinc/43/66/58/1418436658.db2.gz GNYUAGXMNSHGBP-ZWKOTPCHSA-N 2 0 345.531 3.305 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713683995 1418437245 /nfs/dbraw/zinc/43/72/45/1418437245.db2.gz GNYUAGXMNSHGBP-QZTJIDSGSA-N 2 0 345.531 3.305 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CCCCC1 ZINC001713693132 1418447519 /nfs/dbraw/zinc/44/75/19/1418447519.db2.gz NPFVMDNSYNFDRD-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001713697611 1418452951 /nfs/dbraw/zinc/45/29/51/1418452951.db2.gz ICPIDUUTQPDOEM-XLIONFOSSA-N 2 0 345.531 3.307 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001713717516 1418484829 /nfs/dbraw/zinc/48/48/29/1418484829.db2.gz MUYYHDDVOQMQJZ-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001713722435 1418497419 /nfs/dbraw/zinc/49/74/19/1418497419.db2.gz MVNXOFHIPUIOEC-HXUWFJFHSA-N 2 0 345.531 3.148 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCC[C@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001713740358 1418540610 /nfs/dbraw/zinc/54/06/10/1418540610.db2.gz RFYLTNUZGCIONJ-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713750683 1418552321 /nfs/dbraw/zinc/55/23/21/1418552321.db2.gz DNOYRAXCRKBZBT-QGZVFWFLSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1CCC1)C1CC1 ZINC001713773741 1418589264 /nfs/dbraw/zinc/58/92/64/1418589264.db2.gz YKGWHHOJQFNNAU-IBGZPJMESA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001733172028 1429274399 /nfs/dbraw/zinc/27/43/99/1429274399.db2.gz OEHDLCCRJXDSLS-OKZBNKHCSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001713891820 1418688317 /nfs/dbraw/zinc/68/83/17/1418688317.db2.gz LTBCXGWZSRGYIA-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713896139 1418693642 /nfs/dbraw/zinc/69/36/42/1418693642.db2.gz AZVNZBWLEZOTOT-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[NH+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713896857 1418695180 /nfs/dbraw/zinc/69/51/80/1418695180.db2.gz LEARCDVUBYTRBV-WOJBJXKFSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001713899816 1418699719 /nfs/dbraw/zinc/69/97/19/1418699719.db2.gz KBSBKZHJTRVCQI-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC1CCC(C[NH+]2CC(CNC(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001713926052 1418718070 /nfs/dbraw/zinc/71/80/70/1418718070.db2.gz VTRIHRSVNXQMSL-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001714063937 1418860604 /nfs/dbraw/zinc/86/06/04/1418860604.db2.gz IXOJKEMJQVQIES-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714065789 1418862202 /nfs/dbraw/zinc/86/22/02/1418862202.db2.gz KDHOQYMGILUMAW-VOFKWLDRSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714081493 1418875273 /nfs/dbraw/zinc/87/52/73/1418875273.db2.gz YECQMOUWDHWRGH-IBGZPJMESA-N 2 0 345.531 3.279 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](CC)[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC001714081774 1418875777 /nfs/dbraw/zinc/87/57/77/1418875777.db2.gz BVXIFVNISFMKMB-UYAOXDASSA-N 2 0 341.499 3.164 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H](C[NH2+]CC2CCCC2)C1 ZINC001714094478 1418887992 /nfs/dbraw/zinc/88/79/92/1418887992.db2.gz LZXGARUIJYTRQY-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)[NH+](CC)CC ZINC001714115745 1418918283 /nfs/dbraw/zinc/91/82/83/1418918283.db2.gz UFDBPFMWGHKFBE-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCC3=CCCCC3)CCCC2)CC1 ZINC001714140800 1418943294 /nfs/dbraw/zinc/94/32/94/1418943294.db2.gz VZUQSSADSVFPBR-UHFFFAOYSA-N 2 0 347.547 3.237 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)cc1C ZINC001714179097 1418987589 /nfs/dbraw/zinc/98/75/89/1418987589.db2.gz YRRXHXMHXWQCHA-OAQYLSRUSA-N 2 0 345.531 3.018 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1 ZINC001714216704 1419013612 /nfs/dbraw/zinc/01/36/12/1419013612.db2.gz PWHJVWUKUBHXEP-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714274901 1419055226 /nfs/dbraw/zinc/05/52/26/1419055226.db2.gz XBSYMCDNFGMUEB-MSOLQXFVSA-N 2 0 347.547 3.437 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C/C=C\Cl)CC1 ZINC001714317060 1419095635 /nfs/dbraw/zinc/09/56/35/1419095635.db2.gz NAAUTEOUYPZGRQ-HLBIVBTKSA-N 2 0 341.927 3.022 10 0 EGAERP C[N@H+](CCCC1CCC1)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714442201 1419173792 /nfs/dbraw/zinc/17/37/92/1419173792.db2.gz SCWDMYTXOHSCHS-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1=CCCCC1 ZINC001714512441 1419240159 /nfs/dbraw/zinc/24/01/59/1419240159.db2.gz IACAFSGTWOXYHW-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714542816 1419267992 /nfs/dbraw/zinc/26/79/92/1419267992.db2.gz SOQIDQOCIBHTGH-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccc(C)c(C)c1 ZINC001714587034 1419330008 /nfs/dbraw/zinc/33/00/08/1419330008.db2.gz NMBAJEZOSPUWSZ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC(C)(C)C)CC[N@@H+]1C ZINC001714609552 1419369177 /nfs/dbraw/zinc/36/91/77/1419369177.db2.gz WDROLOFMPNEDRP-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001714646460 1419421248 /nfs/dbraw/zinc/42/12/48/1419421248.db2.gz KNNKIKCDYJGERJ-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001714719315 1419483127 /nfs/dbraw/zinc/48/31/27/1419483127.db2.gz OZDTTZUFWLVPHC-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714811015 1419522112 /nfs/dbraw/zinc/52/21/12/1419522112.db2.gz FCUQVCKHXYUCQM-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001714860045 1419581256 /nfs/dbraw/zinc/58/12/56/1419581256.db2.gz KNIKHZKMNJFQMX-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714874917 1419608734 /nfs/dbraw/zinc/60/87/34/1419608734.db2.gz SZNQCZWQHDVOLJ-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C/CC[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001714915964 1419666950 /nfs/dbraw/zinc/66/69/50/1419666950.db2.gz ZXYDTLADLPPVGF-BQYQJAHWSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1c(C(=O)N[C@@H](C[NH2+]CC[C@@H](C)F)CC(C)C)ccc2c[nH+]cn21 ZINC001714917388 1419668711 /nfs/dbraw/zinc/66/87/11/1419668711.db2.gz CUSBNRSPYJTWJN-GDBMZVCRSA-N 2 0 348.466 3.125 10 0 EGAERP Cc1c(C(=O)N[C@@H](C[NH2+]CC[C@H](C)F)CC(C)C)ccc2c[nH+]cn21 ZINC001714917389 1419668759 /nfs/dbraw/zinc/66/87/59/1419668759.db2.gz CUSBNRSPYJTWJN-GOEBONIOSA-N 2 0 348.466 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1C[NH+](CCC2CCCCCC2)C1 ZINC001714935656 1419684431 /nfs/dbraw/zinc/68/44/31/1419684431.db2.gz BZCOWZLZGLFPFV-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[C@@H](C)C[NH+]1CC(NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001714937747 1419685260 /nfs/dbraw/zinc/68/52/60/1419685260.db2.gz NSRXRIIFGVBEKW-MRXNPFEDSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001715007758 1419736966 /nfs/dbraw/zinc/73/69/66/1419736966.db2.gz CWVVTWKQJDLDLV-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001715031853 1419764402 /nfs/dbraw/zinc/76/44/02/1419764402.db2.gz WHZOCNABUWRCKQ-DNVCBOLYSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715049452 1419791143 /nfs/dbraw/zinc/79/11/43/1419791143.db2.gz WZZZQZKROSNRCL-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715088219 1419828144 /nfs/dbraw/zinc/82/81/44/1419828144.db2.gz WRDFRUWNZBZJCF-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001715142561 1419889602 /nfs/dbraw/zinc/88/96/02/1419889602.db2.gz JYBGRNBPYYNBFS-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001715204807 1419938880 /nfs/dbraw/zinc/93/88/80/1419938880.db2.gz IZTQQQKZKFPMCA-GOSISDBHSA-N 2 0 345.531 3.226 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC1CCCCCC1 ZINC001715239786 1419969509 /nfs/dbraw/zinc/96/95/09/1419969509.db2.gz PURCCQUJFYOPDD-GOSISDBHSA-N 2 0 349.563 3.175 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]CC1CC2(CCC2)C1 ZINC001715256838 1419979245 /nfs/dbraw/zinc/97/92/45/1419979245.db2.gz OTZSPKQMHCJRCC-ZWKOTPCHSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001715339072 1420042534 /nfs/dbraw/zinc/04/25/34/1420042534.db2.gz MCVUWUVHOFYQGC-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376640 1420072957 /nfs/dbraw/zinc/07/29/57/1420072957.db2.gz KLFOXLSGVKZAQP-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715469160 1420147816 /nfs/dbraw/zinc/14/78/16/1420147816.db2.gz DRVOPHUTGPQNDF-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@H]1C[NH2+]CCCC(C)(C)C ZINC001715478553 1420157116 /nfs/dbraw/zinc/15/71/16/1420157116.db2.gz PMBRGLQZNAKGLZ-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715483745 1420163019 /nfs/dbraw/zinc/16/30/19/1420163019.db2.gz ZOCPLOWOWWODTK-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCc1cccc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001715539927 1420238034 /nfs/dbraw/zinc/23/80/34/1420238034.db2.gz RAHHREUBTYDYBR-ROUUACIJSA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715622093 1420268712 /nfs/dbraw/zinc/26/87/12/1420268712.db2.gz PMZFZAPCDBKZPP-IBGZPJMESA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001715707751 1420304008 /nfs/dbraw/zinc/30/40/08/1420304008.db2.gz KDYYDRABRDIMOO-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001715945889 1420414415 /nfs/dbraw/zinc/41/44/15/1420414415.db2.gz RYFCEAOGEQSQAV-WXSAJPJJSA-N 2 0 349.494 3.101 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C/c1ccccc1 ZINC001715978096 1420438222 /nfs/dbraw/zinc/43/82/22/1420438222.db2.gz VIIJYZDLXCXVOB-LCCNYURCSA-N 2 0 343.515 3.057 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001716025858 1420482818 /nfs/dbraw/zinc/48/28/18/1420482818.db2.gz PQYRAXSNJSGZFM-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042576 1420505569 /nfs/dbraw/zinc/50/55/69/1420505569.db2.gz QQGKHWQSGRWLQP-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@H]21 ZINC001716048805 1420512605 /nfs/dbraw/zinc/51/26/05/1420512605.db2.gz FQCOAYOKHOIRDJ-LXORQPIJSA-N 2 0 347.547 3.140 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075933 1420530359 /nfs/dbraw/zinc/53/03/59/1420530359.db2.gz TUQGTVOJJRAPBH-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001716224280 1420571362 /nfs/dbraw/zinc/57/13/62/1420571362.db2.gz OXHKTFROYDBEBB-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C(C)(C)C)CC1)C(=O)CC[NH+](C)C ZINC001716237992 1420576859 /nfs/dbraw/zinc/57/68/59/1420576859.db2.gz VCHYUUKDLIDQNQ-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001716394925 1420631867 /nfs/dbraw/zinc/63/18/67/1420631867.db2.gz JQBLQSAEPPMQSW-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716515309 1420745025 /nfs/dbraw/zinc/74/50/25/1420745025.db2.gz IOBXQDWAAYDVSE-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001716520587 1420748917 /nfs/dbraw/zinc/74/89/17/1420748917.db2.gz MSUANDNKVIRVTL-PMACEKPBSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001716587037 1420769263 /nfs/dbraw/zinc/76/92/63/1420769263.db2.gz OAZKQJLPBHKYQV-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001716625691 1420786009 /nfs/dbraw/zinc/78/60/09/1420786009.db2.gz YJHLBFPPUOAWGD-FQEVSTJZSA-N 2 0 347.547 3.093 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658709 1420812759 /nfs/dbraw/zinc/81/27/59/1420812759.db2.gz LMTFGSPPVBKTHD-MOPGFXCFSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001716697056 1420850150 /nfs/dbraw/zinc/85/01/50/1420850150.db2.gz GOVMOGKWRNUWTR-UHFFFAOYSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CCC)CC2 ZINC001716728513 1420886977 /nfs/dbraw/zinc/88/69/77/1420886977.db2.gz UOFVMZBHEFBJJR-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001716743834 1420898713 /nfs/dbraw/zinc/89/87/13/1420898713.db2.gz HORCZTDGJFODKA-UHFFFAOYSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001716822967 1420949438 /nfs/dbraw/zinc/94/94/38/1420949438.db2.gz SUPFQLKZYDPXSI-LPHOPBHVSA-N 2 0 337.552 3.029 10 0 EGAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716880770 1421005010 /nfs/dbraw/zinc/00/50/10/1421005010.db2.gz TUCVVAJDWPVNGZ-FPOVZHCZSA-N 2 0 345.531 3.308 10 0 EGAERP C[NH+](C)CCC(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001716887294 1421010702 /nfs/dbraw/zinc/01/07/02/1421010702.db2.gz HCZNSGKSFHBYJH-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001716888634 1421012334 /nfs/dbraw/zinc/01/23/34/1421012334.db2.gz YCPLNCYVYUDBEO-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001716952636 1421048277 /nfs/dbraw/zinc/04/82/77/1421048277.db2.gz JFRKOULYFLUAAK-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC)c2ccccc2CC)C1 ZINC001716953844 1421049451 /nfs/dbraw/zinc/04/94/51/1421049451.db2.gz JLDXWQSBDJHXLW-AZUAARDMSA-N 2 0 345.531 3.138 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001716987102 1421062083 /nfs/dbraw/zinc/06/20/83/1421062083.db2.gz CXKFGJWHZRGTHO-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001716996857 1421065718 /nfs/dbraw/zinc/06/57/18/1421065718.db2.gz FQJSFQREOWOETQ-PXNSSMCTSA-N 2 0 345.531 3.092 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030900 1421084425 /nfs/dbraw/zinc/08/44/25/1421084425.db2.gz GSTGSEXFTRJSFI-VXARMHRZSA-N 2 0 335.536 3.138 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001717038644 1421093390 /nfs/dbraw/zinc/09/33/90/1421093390.db2.gz QCJVBTVQKLDOBW-JNVNVXKGSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001717096930 1421108706 /nfs/dbraw/zinc/10/87/06/1421108706.db2.gz KXMWJEZJMCRAPB-IHPCNDPISA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](F)CC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001717114837 1421118930 /nfs/dbraw/zinc/11/89/30/1421118930.db2.gz FJEXYRVEEIVAFG-HZPDHXFCSA-N 2 0 349.494 3.043 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001717150149 1421141203 /nfs/dbraw/zinc/14/12/03/1421141203.db2.gz PWPWZBJJDUCBBA-GOSISDBHSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001717151773 1421142179 /nfs/dbraw/zinc/14/21/79/1421142179.db2.gz BPBBMYXFVUBYLE-GOSISDBHSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+]CCC2CCCC2)CCC1)[NH+]1CCCC1 ZINC001717162834 1421152958 /nfs/dbraw/zinc/15/29/58/1421152958.db2.gz JPYNMWOCTJTLLB-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)CC2=CCCCC2)C1 ZINC001717210832 1421184279 /nfs/dbraw/zinc/18/42/79/1421184279.db2.gz UJSCZDVBKWDHLP-HXUWFJFHSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@@H]3CC[NH+](C)C3)C2)C1 ZINC001733287347 1429462848 /nfs/dbraw/zinc/46/28/48/1429462848.db2.gz DEZILUGQYQOWOY-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]CC[C@@H](C)F)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717239894 1421207918 /nfs/dbraw/zinc/20/79/18/1421207918.db2.gz BTZDFLYMYSEQOK-MRXNPFEDSA-N 2 0 343.531 3.073 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001717310214 1421253395 /nfs/dbraw/zinc/25/33/95/1421253395.db2.gz CSZUEOUVWZAIKU-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310918 1421254492 /nfs/dbraw/zinc/25/44/92/1421254492.db2.gz QAMFPNFCWCGIMJ-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+](CC)CC ZINC001717311014 1421254790 /nfs/dbraw/zinc/25/47/90/1421254790.db2.gz RPKCNJAWUNUXNX-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717313090 1421259101 /nfs/dbraw/zinc/25/91/01/1421259101.db2.gz KMRFKZPEOBEZHI-VOFKWLDRSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001717334096 1421270375 /nfs/dbraw/zinc/27/03/75/1421270375.db2.gz PNDXWQJXYXDGAK-IBQUMJASSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001717344785 1421284750 /nfs/dbraw/zinc/28/47/50/1421284750.db2.gz YKIJPQJXMHPXIE-VQTJNVASSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001717375999 1421318273 /nfs/dbraw/zinc/31/82/73/1421318273.db2.gz IFNSAMQKGIAXNO-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001717414322 1421345431 /nfs/dbraw/zinc/34/54/31/1421345431.db2.gz BUOJOMFGNVJYAD-GJZGRUSLSA-N 2 0 342.487 3.319 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717439990 1421369318 /nfs/dbraw/zinc/36/93/18/1421369318.db2.gz WKXRPFMEEFXDSU-SJORKVTESA-N 2 0 345.531 3.135 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001717446350 1421376069 /nfs/dbraw/zinc/37/60/69/1421376069.db2.gz BGXXQFUOKVWXKR-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CC(C)(C)C[NH2+]CCC2=CCCCC2)C1 ZINC001717457099 1421386451 /nfs/dbraw/zinc/38/64/51/1421386451.db2.gz WJFCUGONILDXPC-GOSISDBHSA-N 2 0 349.563 3.293 10 0 EGAERP C[C@@H](CNC(=O)CCC[NH+]1CCCC1)[N@H+](C)CC1CCC2(CC2)CC1 ZINC001717500848 1421444393 /nfs/dbraw/zinc/44/43/93/1421444393.db2.gz YRFCIROKVIGYMU-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1)[NH+](C)C ZINC001717524322 1421459711 /nfs/dbraw/zinc/45/97/11/1421459711.db2.gz ZCPCDCAXDCJVMS-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001717551370 1421489025 /nfs/dbraw/zinc/48/90/25/1421489025.db2.gz RDLARHIHWSMDKI-YLJYHZDGSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001717585856 1421513741 /nfs/dbraw/zinc/51/37/41/1421513741.db2.gz ZCZKAYVYGIMZRB-DOOKAGJSSA-N 2 0 337.552 3.147 10 0 EGAERP CC/C=C\CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001717628581 1421537723 /nfs/dbraw/zinc/53/77/23/1421537723.db2.gz ANQDTDBYUWOICG-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C/CC[NH+]1CCCC2(CN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001717628582 1421538000 /nfs/dbraw/zinc/53/80/00/1421538000.db2.gz ANQDTDBYUWOICG-ZMBJWTFHSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717640655 1421545890 /nfs/dbraw/zinc/54/58/90/1421545890.db2.gz GGFCXEMABUCEHY-NCXUSEDFSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717643358 1421547058 /nfs/dbraw/zinc/54/70/58/1421547058.db2.gz XKHQSMSUVOJCMY-CKWDHDKDSA-N 2 0 347.547 3.093 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717740892 1421604208 /nfs/dbraw/zinc/60/42/08/1421604208.db2.gz IFZWAVUQZFATJY-DNVCBOLYSA-N 2 0 343.531 3.072 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH2+]CC=C(C)C)C[C@H]2C)o1 ZINC001717830194 1421642928 /nfs/dbraw/zinc/64/29/28/1421642928.db2.gz OXKKCSCHRDUXLH-IAGOWNOFSA-N 2 0 347.503 3.280 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001717847285 1421661260 /nfs/dbraw/zinc/66/12/60/1421661260.db2.gz JYHCGALQWCHEOT-GUDVDZBRSA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878603 1421684218 /nfs/dbraw/zinc/68/42/18/1421684218.db2.gz YKMQUAZBSWCELD-MSOLQXFVSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C ZINC001717956157 1421727810 /nfs/dbraw/zinc/72/78/10/1421727810.db2.gz RTJFYMZBUQWPFT-JKSUJKDBSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001717979077 1421750222 /nfs/dbraw/zinc/75/02/22/1421750222.db2.gz VEZPEXSKXGFGES-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001717985386 1421758003 /nfs/dbraw/zinc/75/80/03/1421758003.db2.gz IERAMFHSDXMWGI-DDRDIHNTSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001717999014 1421766505 /nfs/dbraw/zinc/76/65/05/1421766505.db2.gz TXKPSIJOPPGOHH-VIQWUECVSA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001718004221 1421770631 /nfs/dbraw/zinc/77/06/31/1421770631.db2.gz IORMZRLQILTVNT-ROUUACIJSA-N 2 0 347.547 3.186 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCC1 ZINC001733386027 1429573465 /nfs/dbraw/zinc/57/34/65/1429573465.db2.gz ZZIQPRDKFCWIBY-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733452619 1429665852 /nfs/dbraw/zinc/66/58/52/1429665852.db2.gz LEPDIHUDSRPMDF-MOPGFXCFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001733462993 1429690606 /nfs/dbraw/zinc/69/06/06/1429690606.db2.gz YYZAHSGOPIDJSK-AZUAARDMSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C)C1CCC1 ZINC001722943278 1424269708 /nfs/dbraw/zinc/26/97/08/1424269708.db2.gz POZBTDRSWHVMFT-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001723609021 1424490772 /nfs/dbraw/zinc/49/07/72/1424490772.db2.gz NMIDRAMCJWRBHD-ROUKRRSUSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CCCCCC1 ZINC001723641342 1424509858 /nfs/dbraw/zinc/50/98/58/1424509858.db2.gz YULPWPPPPSIMGU-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001723649882 1424516179 /nfs/dbraw/zinc/51/61/79/1424516179.db2.gz ZHCZTNBLUUWIQD-GOSISDBHSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733529449 1429736198 /nfs/dbraw/zinc/73/61/98/1429736198.db2.gz UPNWSTUKPWGTMK-SJORKVTESA-N 2 0 337.552 3.122 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733527201 1429734477 /nfs/dbraw/zinc/73/44/77/1429734477.db2.gz JESXDRHPGPKGQQ-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001723748294 1424557838 /nfs/dbraw/zinc/55/78/38/1424557838.db2.gz UYBIMZWTIKHCPF-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723855171 1424585753 /nfs/dbraw/zinc/58/57/53/1424585753.db2.gz DXJRWCCLSOJMPB-MJGOQNOKSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001724173114 1424706710 /nfs/dbraw/zinc/70/67/10/1424706710.db2.gz BHOKEOCLHLVWJJ-NQIIRXRSSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251672 1424756981 /nfs/dbraw/zinc/75/69/81/1424756981.db2.gz UPDGYCWVGFMDBA-GHTZIAJQSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[NH+]1CCC(C)(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001724294379 1424778721 /nfs/dbraw/zinc/77/87/21/1424778721.db2.gz MOXHQUIUGQFJOR-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724295522 1424781745 /nfs/dbraw/zinc/78/17/45/1424781745.db2.gz YLVRUQJAUPIJQZ-VOTSOKGWSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001724659342 1425035830 /nfs/dbraw/zinc/03/58/30/1425035830.db2.gz YBBJPFUKKFMZJH-BZSNNMDCSA-N 2 0 337.552 3.076 10 0 EGAERP CCC1([NH2+]CC2CCCC2)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724885612 1425268659 /nfs/dbraw/zinc/26/86/59/1425268659.db2.gz BDUBPGFKTKWNHX-UHFFFAOYSA-N 2 0 347.547 3.166 10 0 EGAERP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001724921800 1425307124 /nfs/dbraw/zinc/30/71/24/1425307124.db2.gz AHIIKRJKXICMQG-UHFFFAOYSA-N 2 0 345.531 3.395 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001725045561 1425475518 /nfs/dbraw/zinc/47/55/18/1425475518.db2.gz ZYRHGPGKDPZXRO-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001725056736 1425494071 /nfs/dbraw/zinc/49/40/71/1425494071.db2.gz VCWPKRMDMIMZJW-GLCUZYPYSA-N 2 0 349.563 3.245 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)C1CCC([NH2+]Cc2ccsc2)CC1 ZINC001725129615 1425597133 /nfs/dbraw/zinc/59/71/33/1425597133.db2.gz DSTBVOIWKPULGT-UHFFFAOYSA-N 2 0 349.544 3.092 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001725129665 1425598120 /nfs/dbraw/zinc/59/81/20/1425598120.db2.gz CJLRBFXKOKWZNR-UHFFFAOYSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001725159163 1425654737 /nfs/dbraw/zinc/65/47/37/1425654737.db2.gz HACLOTQBYCKYGR-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CC(C)(C)C1 ZINC001725163155 1425663225 /nfs/dbraw/zinc/66/32/25/1425663225.db2.gz BMFZMWNNGVVQID-VQIMIIECSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725172502 1425683681 /nfs/dbraw/zinc/68/36/81/1425683681.db2.gz NJGWJMANJCNYLN-INIZCTEOSA-N 2 0 325.541 3.122 10 0 EGAERP CC1CC(C[NH2+]CC2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CCCCC2)C1 ZINC001725221540 1425789773 /nfs/dbraw/zinc/78/97/73/1425789773.db2.gz BGIBQTBFIOLEEW-ACBHZAAOSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2cccc(C)c2)CCCCC1 ZINC001725229192 1425800544 /nfs/dbraw/zinc/80/05/44/1425800544.db2.gz MZBVRSPYRPVVAH-UHFFFAOYSA-N 2 0 345.531 3.246 10 0 EGAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725231198 1425805606 /nfs/dbraw/zinc/80/56/06/1425805606.db2.gz FQVVNNQCARXYMC-IEBWSBKVSA-N 2 0 337.552 3.457 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1 ZINC001725238935 1425835299 /nfs/dbraw/zinc/83/52/99/1425835299.db2.gz INWAECADSCWUHN-HXUWFJFHSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C1C[NH+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001725269493 1425904959 /nfs/dbraw/zinc/90/49/59/1425904959.db2.gz SDDGQVBOJJSRKH-YLJYHZDGSA-N 2 0 347.547 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CC3CCCC3)C[C@H]2C1 ZINC001725335415 1425980233 /nfs/dbraw/zinc/98/02/33/1425980233.db2.gz PZTSAUMEKFLLBD-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CCC(C)(C)CC2)C1)C1CCC1 ZINC001725359161 1426009375 /nfs/dbraw/zinc/00/93/75/1426009375.db2.gz GXCVCPCJYSCWPZ-IYARVYRRSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]Cc2cccc(C)c2)CC[N@@H+]1C ZINC001725386472 1426033984 /nfs/dbraw/zinc/03/39/84/1426033984.db2.gz LMGUELKBFUMRSV-YSIASYRMSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C2CC[NH+](C)CC2)c(C)c1 ZINC001725407218 1426050973 /nfs/dbraw/zinc/05/09/73/1426050973.db2.gz USMBBTQYLOJCCY-GOSISDBHSA-N 2 0 345.531 3.020 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001725420517 1426069608 /nfs/dbraw/zinc/06/96/08/1426069608.db2.gz NTLQZGJZPQVRRB-OALUTQOASA-N 2 0 335.536 3.116 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](CCC[NH2+]CC1CCC1)c1ccccc1 ZINC001725438996 1426100243 /nfs/dbraw/zinc/10/02/43/1426100243.db2.gz GOKFPENOQGYBPF-PMACEKPBSA-N 2 0 343.515 3.108 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)[C@H]1C ZINC001725622354 1426288155 /nfs/dbraw/zinc/28/81/55/1426288155.db2.gz HGIPHNBVFDQFGI-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccsc1)CC2 ZINC001725622924 1426288770 /nfs/dbraw/zinc/28/87/70/1426288770.db2.gz IGDWRQOHCCAMBF-MJGOQNOKSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001725628066 1426295279 /nfs/dbraw/zinc/29/52/79/1426295279.db2.gz LNWXEHLSBXDZLW-CTNGQTDRSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001725649558 1426331873 /nfs/dbraw/zinc/33/18/73/1426331873.db2.gz HSCVXCSRCISGIA-RTBURBONSA-N 2 0 349.563 3.339 10 0 EGAERP C[N@H+](CC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)CC(C)(C)C ZINC001725678242 1426365380 /nfs/dbraw/zinc/36/53/80/1426365380.db2.gz QUFLVXLGGMKLMB-SFHVURJKSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001725682976 1426370420 /nfs/dbraw/zinc/37/04/20/1426370420.db2.gz NVWHHJLIYBFKKC-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1ccccc1F ZINC001725754772 1426434076 /nfs/dbraw/zinc/43/40/76/1426434076.db2.gz INRBATJRUSVNCI-QAPCUYQASA-N 2 0 349.494 3.103 10 0 EGAERP CCC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCCC3)CC2)CC1 ZINC001725797651 1426482496 /nfs/dbraw/zinc/48/24/96/1426482496.db2.gz PRZIZYQMBXZWRK-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CCCC2CCC2)CC1 ZINC001725816097 1426493418 /nfs/dbraw/zinc/49/34/18/1426493418.db2.gz IKSCFSQBPUEKJZ-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)CC2=CCCCC2)CC1 ZINC001731276126 1427221717 /nfs/dbraw/zinc/22/17/17/1427221717.db2.gz ZSJPHDGZVVPEGF-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCC1=CCCCC1 ZINC001731315109 1427256214 /nfs/dbraw/zinc/25/62/14/1427256214.db2.gz VIYVGEWVNMHWNB-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001731385646 1427330505 /nfs/dbraw/zinc/33/05/05/1427330505.db2.gz MZKGFPQQYTUOGG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001731428331 1427409926 /nfs/dbraw/zinc/40/99/26/1427409926.db2.gz PTVXARSUUDREHN-ZGXWSNOMSA-N 2 0 349.563 3.218 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001731502415 1427483324 /nfs/dbraw/zinc/48/33/24/1427483324.db2.gz HFXKHKLQWVGRCO-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001731548200 1427565299 /nfs/dbraw/zinc/56/52/99/1427565299.db2.gz TVKBDICANPDHTH-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCCCCF)CC1 ZINC001731573976 1427617172 /nfs/dbraw/zinc/61/71/72/1427617172.db2.gz WORCOLWRUQCWHU-DAWZGUTISA-N 2 0 341.515 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001731615602 1427662717 /nfs/dbraw/zinc/66/27/17/1427662717.db2.gz JICDJMVBFHSFPQ-RTBURBONSA-N 2 0 345.531 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001731617528 1427665677 /nfs/dbraw/zinc/66/56/77/1427665677.db2.gz RSLYVBXVNRCYGK-MJGOQNOKSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001731638654 1427695593 /nfs/dbraw/zinc/69/55/93/1427695593.db2.gz ATVDSLLEMHJJHR-AEFFLSMTSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001731701458 1427753745 /nfs/dbraw/zinc/75/37/45/1427753745.db2.gz WHDIIHYCZSDZBS-VQTJNVASSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731702067 1427754443 /nfs/dbraw/zinc/75/44/43/1427754443.db2.gz KCZDOOYTUUWTBB-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001731704666 1427757358 /nfs/dbraw/zinc/75/73/58/1427757358.db2.gz UJOSOBLBBTUNPW-VQTJNVASSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731710403 1427767005 /nfs/dbraw/zinc/76/70/05/1427767005.db2.gz LENMXHOWJXYTDF-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001731735585 1427816354 /nfs/dbraw/zinc/81/63/54/1427816354.db2.gz CYRBWXMUCUZLKG-VQIMIIECSA-N 2 0 349.494 3.073 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCC2)CC[N@@H+]1C ZINC001731747127 1427839217 /nfs/dbraw/zinc/83/92/17/1427839217.db2.gz MVNGHZDLTUTEPG-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001731804212 1427972485 /nfs/dbraw/zinc/97/24/85/1427972485.db2.gz AMMHRSYDTTYKDC-ZHALLVOQSA-N 2 0 340.471 3.103 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001731885096 1428160416 /nfs/dbraw/zinc/16/04/16/1428160416.db2.gz FCQWEBVBZBCOEB-CALCHBBNSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668118 1429862007 /nfs/dbraw/zinc/86/20/07/1429862007.db2.gz SKFAOFFXGNMGMX-ICSRJNTNSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676475 1429870920 /nfs/dbraw/zinc/87/09/20/1429870920.db2.gz NDFNMFOTLQLWBT-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1CC2(CCC2)C1 ZINC001733773066 1430010299 /nfs/dbraw/zinc/01/02/99/1430010299.db2.gz SBQMOEAGIPNSNL-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC)([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001733807256 1430078913 /nfs/dbraw/zinc/07/89/13/1430078913.db2.gz RRAXFTWHODZCBK-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001733809695 1430085930 /nfs/dbraw/zinc/08/59/30/1430085930.db2.gz QKQLTZFLRLLAFC-ZEVQVBBLSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001733874860 1437701290 /nfs/dbraw/zinc/70/12/90/1437701290.db2.gz GUEPLNJWMIPPAY-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001733879766 1437707090 /nfs/dbraw/zinc/70/70/90/1437707090.db2.gz UPAOXLLYZCZNCT-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001733931762 1437744540 /nfs/dbraw/zinc/74/45/40/1437744540.db2.gz IDFUXWPIKIGJCN-SFHVURJKSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733936948 1437751735 /nfs/dbraw/zinc/75/17/35/1437751735.db2.gz FUIPSDVPBBIGSV-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001733942526 1437758640 /nfs/dbraw/zinc/75/86/40/1437758640.db2.gz YLDAFINDKWBKOQ-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001733976633 1437775869 /nfs/dbraw/zinc/77/58/69/1437775869.db2.gz SLBYNZPRACXJMI-HUUCEWRRSA-N 2 0 349.544 3.407 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006572 1437798479 /nfs/dbraw/zinc/79/84/79/1437798479.db2.gz PYXGNZZFICUOLO-DLBZAZTESA-N 2 0 347.547 3.307 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001734038327 1437826201 /nfs/dbraw/zinc/82/62/01/1437826201.db2.gz AQHQYTLPLPEHLL-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1=CCCCC1 ZINC001734040461 1437829227 /nfs/dbraw/zinc/82/92/27/1437829227.db2.gz GOSOFPBFFQPPFF-PXNSSMCTSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001734049945 1437839836 /nfs/dbraw/zinc/83/98/36/1437839836.db2.gz YHWCXCGLAYMWRO-SJORKVTESA-N 2 0 333.520 3.259 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001734089354 1437874161 /nfs/dbraw/zinc/87/41/61/1437874161.db2.gz ZCTRYQVTNRBPLQ-SFHVURJKSA-N 2 0 335.536 3.068 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCCC1 ZINC001734089819 1437874574 /nfs/dbraw/zinc/87/45/74/1437874574.db2.gz JMXGPPUTJLEEDF-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001734091323 1437875538 /nfs/dbraw/zinc/87/55/38/1437875538.db2.gz UUUAAGVPVVXMQL-UHFFFAOYSA-N 2 0 325.541 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001734091461 1437875756 /nfs/dbraw/zinc/87/57/56/1437875756.db2.gz AGCPRUNGQZHZDO-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH+]2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122094 1437902059 /nfs/dbraw/zinc/90/20/59/1437902059.db2.gz ZAIOBZFTUKSIBO-SJORKVTESA-N 2 0 345.531 3.259 10 0 EGAERP CC1CC(C[N@@H+]2C[C@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)C2)C1 ZINC001734156826 1437923199 /nfs/dbraw/zinc/92/31/99/1437923199.db2.gz ZOFWMYKNVOHQES-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001734194742 1437936129 /nfs/dbraw/zinc/93/61/29/1437936129.db2.gz VIZMRRPHMBPRPQ-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001734237844 1437954031 /nfs/dbraw/zinc/95/40/31/1437954031.db2.gz PWRITPTWFMVLJF-YZGWKJHDSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](CCC[NH2+]C(C)C)c2ccccc2)CC[N@@H+]1C ZINC001734285806 1438014102 /nfs/dbraw/zinc/01/41/02/1438014102.db2.gz WNRCLSFYHVUTMD-XUVXKRRUSA-N 2 0 345.531 3.352 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H](CCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001734291169 1438021393 /nfs/dbraw/zinc/02/13/93/1438021393.db2.gz ZSNNAEMHYJPAIY-UYAOXDASSA-N 2 0 345.531 3.272 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001734341044 1438061538 /nfs/dbraw/zinc/06/15/38/1438061538.db2.gz ZDSMRHOKIVUPHC-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001734345756 1438064998 /nfs/dbraw/zinc/06/49/98/1438064998.db2.gz IRUPLCZWLIEDFO-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001734347728 1438066465 /nfs/dbraw/zinc/06/64/65/1438066465.db2.gz VKUHFMCYVGTTMD-KRWDZBQOSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001734407638 1438085279 /nfs/dbraw/zinc/08/52/79/1438085279.db2.gz LQFQBKTUQIRYIK-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001734486983 1438129240 /nfs/dbraw/zinc/12/92/40/1438129240.db2.gz KVZUVHFWCLONHB-VQTJNVASSA-N 2 0 347.547 3.237 10 0 EGAERP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CC2CCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001734499250 1438133978 /nfs/dbraw/zinc/13/39/78/1438133978.db2.gz CIGMVBVVDUSEAU-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001734499364 1438133996 /nfs/dbraw/zinc/13/39/96/1438133996.db2.gz COCQARKMLPXUSN-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001734552026 1438150207 /nfs/dbraw/zinc/15/02/07/1438150207.db2.gz XWAAONNHKAMYQE-GOSISDBHSA-N 2 0 345.531 3.006 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CC1 ZINC001734568614 1438163314 /nfs/dbraw/zinc/16/33/14/1438163314.db2.gz LJMRWAYDSOMHNV-QGZVFWFLSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CC3(CCC3)C2)C(C)(C)C)CC1 ZINC001734568722 1438163532 /nfs/dbraw/zinc/16/35/32/1438163532.db2.gz CSQCVXKTEJTRDJ-GOSISDBHSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C(C)(C)C ZINC001734570105 1438164272 /nfs/dbraw/zinc/16/42/72/1438164272.db2.gz KAKHJTQKPDGZGV-KRWDZBQOSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001734584948 1438175222 /nfs/dbraw/zinc/17/52/22/1438175222.db2.gz PMMHISIGAYCYBA-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](C(=O)NC1(C2CC[NH+](CC3CC3)CC2)CC1)[NH+]1CCCCCC1 ZINC001734607188 1438186440 /nfs/dbraw/zinc/18/64/40/1438186440.db2.gz JKCBEOPMLZWFOX-KRWDZBQOSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001750927151 1440111438 /nfs/dbraw/zinc/11/14/38/1440111438.db2.gz IYGNDROWCWEIKP-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCN(C(=O)CC1CC[NH2+]CC1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368454721 168357949 /nfs/dbraw/zinc/35/79/49/168357949.db2.gz VNXIVFICQKHXCL-XLIONFOSSA-N 2 0 343.515 3.060 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)[C@H]1C=CCCC1 ZINC000171746295 529865810 /nfs/dbraw/zinc/86/58/10/529865810.db2.gz OWAYXHIPBGSYPJ-SFTDATJTSA-N 2 0 328.500 3.473 10 0 EGAERP CN(C)CC[NH+]1CCC(C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131210059 223213534 /nfs/dbraw/zinc/21/35/34/223213534.db2.gz QBIWRAKVNFYKMR-SFTDATJTSA-N 2 0 329.532 3.186 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371019627 284785982 /nfs/dbraw/zinc/78/59/82/284785982.db2.gz SUZMGLNLFLXBCO-UFYCRDLUSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118772691 221180114 /nfs/dbraw/zinc/18/01/14/221180114.db2.gz LYHLFXLIVPYLEH-OAHLLOKOSA-N 2 0 343.471 3.099 10 0 EGAERP CCN(C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@H](C)c1ccc(F)cc1 ZINC000246983565 141047264 /nfs/dbraw/zinc/04/72/64/141047264.db2.gz SLZRTIBBTRSQGF-FRQCXROJSA-N 2 0 349.494 3.150 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@@H]2C)cc1 ZINC000339468831 141118083 /nfs/dbraw/zinc/11/80/83/141118083.db2.gz SFKCRWLRSOQKHP-CALCHBBNSA-N 2 0 331.504 3.083 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@H](C)C1 ZINC000344550002 141172001 /nfs/dbraw/zinc/17/20/01/141172001.db2.gz QTBADUCVWTZBEV-WIYYLYMNSA-N 3 0 329.532 3.492 10 0 EGAERP O=C(CCN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307474 144156580 /nfs/dbraw/zinc/15/65/80/144156580.db2.gz MCKCUTLFNXSTBL-AUUYWEPGSA-N 2 0 348.437 3.486 10 0 EGAERP CO[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000345491802 144246485 /nfs/dbraw/zinc/24/64/85/144246485.db2.gz UGQRLIRFDQZKDC-BHYGNILZSA-N 2 0 344.421 3.454 10 0 EGAERP C[NH+](C)CC[C@@H](NC(=O)c1cccc(C[NH+]2CCCC2)c1)C(C)(C)C ZINC000116231719 152049176 /nfs/dbraw/zinc/04/91/76/152049176.db2.gz IZIHIFOKZFDJDW-LJQANCHMSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(-c3ccccc3)o2)CC1 ZINC000121078926 152324140 /nfs/dbraw/zinc/32/41/40/152324140.db2.gz SPZUYDYXWUDHKH-KRWDZBQOSA-N 2 0 342.483 3.471 10 0 EGAERP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000336876259 154226498 /nfs/dbraw/zinc/22/64/98/154226498.db2.gz BXVOCSUFYJHWBI-OKZBNKHCSA-N 2 0 326.488 3.327 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc3ncsc3c2)CC1 ZINC000337355307 154304207 /nfs/dbraw/zinc/30/42/07/154304207.db2.gz ANRKZXCGALFUCM-MRXNPFEDSA-N 2 0 346.544 3.363 10 0 EGAERP CC[N@H+](Cc1ccc(C[NH+](C)C)cc1)Cc1ccc(-n2cncn2)cc1 ZINC000348970799 156305189 /nfs/dbraw/zinc/30/51/89/156305189.db2.gz XBOZWYXKKDOQSM-UHFFFAOYSA-N 2 0 349.482 3.351 10 0 EGAERP Cc1cc(F)ccc1N1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248748071 163031655 /nfs/dbraw/zinc/03/16/55/163031655.db2.gz BLDWDQUQCUWBPI-MVCQKVDPSA-N 2 0 331.479 3.318 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H](C)C2)C12CCOCC2 ZINC000249065517 163053888 /nfs/dbraw/zinc/05/38/88/163053888.db2.gz ZJCKIQJYJSETNJ-CEXWTWQISA-N 2 0 338.536 3.062 10 0 EGAERP CC[NH+]1CCC(CCNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338798272 163351404 /nfs/dbraw/zinc/35/14/04/163351404.db2.gz UUTHNUUQECASRI-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP CC[C@@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+](CC)CC ZINC000345806607 164269623 /nfs/dbraw/zinc/26/96/23/164269623.db2.gz ZNNSASZETVCPLH-FQEVSTJZSA-N 2 0 345.531 3.409 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@H]1C[NH+]1CCCCC1 ZINC000346149978 164350373 /nfs/dbraw/zinc/35/03/73/164350373.db2.gz LWPFZFHWXKKGQB-FQEVSTJZSA-N 2 0 339.487 3.026 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(-n3cncn3)c(C)c2)CC1 ZINC000350185527 165017886 /nfs/dbraw/zinc/01/78/86/165017886.db2.gz VWCBZHFFIPYBLE-UHFFFAOYSA-N 2 0 341.503 3.130 10 0 EGAERP Cc1cccc(CN(CC[NH+](C)C)C(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000355038695 166090516 /nfs/dbraw/zinc/09/05/16/166090516.db2.gz BRALUOWDEDOWGW-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000360481369 167339027 /nfs/dbraw/zinc/33/90/27/167339027.db2.gz FUNVZMRVEWGESV-WIYYLYMNSA-N 2 0 344.547 3.146 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC000361929506 167701513 /nfs/dbraw/zinc/70/15/13/167701513.db2.gz NQWHWSNWOLDRJM-FXAWDEMLSA-N 2 0 339.483 3.133 10 0 EGAERP C[C@H](CC(N)=O)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367162582 168186931 /nfs/dbraw/zinc/18/69/31/168186931.db2.gz CRTATKMSSPOACE-ABOIAAPDSA-N 2 0 349.906 3.107 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCCc3n[nH]cc32)cc1 ZINC000367600843 168247953 /nfs/dbraw/zinc/24/79/53/168247953.db2.gz LGPWNUVMJLASMC-IBGZPJMESA-N 2 0 342.487 3.298 10 0 EGAERP C[C@H](CCc1cccc(F)c1)[N@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000289690475 276378939 /nfs/dbraw/zinc/37/89/39/276378939.db2.gz FLGOYBHPHZQMIF-QGZVFWFLSA-N 2 0 335.511 3.105 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]C2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000089840173 277386001 /nfs/dbraw/zinc/38/60/01/277386001.db2.gz LPXWSRWCSYHRMI-UHFFFAOYSA-N 2 0 339.524 3.096 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@@H]1CCCC[C@@H]1C1CC1 ZINC000344001147 289118603 /nfs/dbraw/zinc/11/86/03/289118603.db2.gz WRPUMRIIOIXBSS-RTBURBONSA-N 2 0 331.504 3.471 10 0 EGAERP Cc1cc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)o1 ZINC000375724120 301417042 /nfs/dbraw/zinc/41/70/42/301417042.db2.gz JLKBBTNCECFGEE-KRWDZBQOSA-N 2 0 333.520 3.497 10 0 EGAERP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1cc(-c2ccccc2)nn1C ZINC000414199442 309066584 /nfs/dbraw/zinc/06/65/84/309066584.db2.gz XBABVFRFQMFNPA-DLBZAZTESA-N 2 0 326.488 3.470 10 0 EGAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296325 309071150 /nfs/dbraw/zinc/07/11/50/309071150.db2.gz DWSJXTDWBHVMGL-RTBURBONSA-N 2 0 330.516 3.428 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)[C@@H](C)C1 ZINC000248979044 308016221 /nfs/dbraw/zinc/01/62/21/308016221.db2.gz IKIYYJQLNJNNKN-YJBOKZPZSA-N 2 0 332.488 3.494 10 0 EGAERP COc1ccc(F)c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000293256877 308114545 /nfs/dbraw/zinc/11/45/45/308114545.db2.gz MKBVNRCYJIOWRF-UHFFFAOYSA-N 2 0 329.419 3.236 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](C)O[C@@H]2C)CC1 ZINC000414513394 309085828 /nfs/dbraw/zinc/08/58/28/309085828.db2.gz KDNPYDIWXPUHKP-NSHGMRRFSA-N 2 0 345.531 3.122 10 0 EGAERP Cc1cccnc1CC[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000295857965 308367841 /nfs/dbraw/zinc/36/78/41/308367841.db2.gz BIFWUTLVOHBDRK-QGZVFWFLSA-N 2 0 327.472 3.224 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000414810829 309103005 /nfs/dbraw/zinc/10/30/05/309103005.db2.gz OPHGQYMNVDWEOZ-KBPBESRZSA-N 2 0 329.419 3.352 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)[C@H]1CCC[NH2+]C1 ZINC000414817794 309103433 /nfs/dbraw/zinc/10/34/33/309103433.db2.gz BSSWOKREZWDFQG-NFAWXSAZSA-N 2 0 325.294 3.358 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414817799 309103458 /nfs/dbraw/zinc/10/34/58/309103458.db2.gz BSSWOKREZWDFQG-VNHYZAJKSA-N 2 0 325.294 3.358 10 0 EGAERP C[C@@H](C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccccc1 ZINC000397625324 308904713 /nfs/dbraw/zinc/90/47/13/308904713.db2.gz KGFBDAYTAXSZNB-IBGZPJMESA-N 2 0 338.495 3.407 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000414910408 309108830 /nfs/dbraw/zinc/10/88/30/309108830.db2.gz CSBWPWVETUYPRX-HONMWMINSA-N 2 0 329.257 3.379 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414930380 309109793 /nfs/dbraw/zinc/10/97/93/309109793.db2.gz ASPVKCAODISQOH-RWSFTLGLSA-N 2 0 329.257 3.107 10 0 EGAERP COC[C@@]1(C[NH2+]C2CCC(c3ccc(OC)cc3)CC2)CCC[NH2+]1 ZINC000414953539 309111101 /nfs/dbraw/zinc/11/11/01/309111101.db2.gz JWSLREHPTSVGIE-NLPFYKDJSA-N 2 0 332.488 3.080 10 0 EGAERP c1ccc(C[C@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415060004 309117524 /nfs/dbraw/zinc/11/75/24/309117524.db2.gz VUMKOQHMKMGEIQ-AEAFLJPSSA-N 2 0 341.543 3.204 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](CC[NH+](C)C)C(C)(C)C ZINC000415940818 309150175 /nfs/dbraw/zinc/15/01/75/309150175.db2.gz DNSSSGLGBCSZKN-QGZVFWFLSA-N 2 0 334.508 3.284 10 0 EGAERP COc1ccc(CC[N@H+](CCC[NH3+])Cc2ccsc2)cc1OC ZINC000420306645 309280716 /nfs/dbraw/zinc/28/07/16/309280716.db2.gz QTFWQZZIDMFDHO-UHFFFAOYSA-N 2 0 334.485 3.159 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]Cc2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422740858 309366102 /nfs/dbraw/zinc/36/61/02/309366102.db2.gz CJMIZAGUWJZXGF-OAHLLOKOSA-N 2 0 344.455 3.152 10 0 EGAERP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422750101 309366416 /nfs/dbraw/zinc/36/64/16/309366416.db2.gz CEEQWOZKLYASRW-RCZSKKKRSA-N 2 0 334.463 3.389 10 0 EGAERP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422779111 309367853 /nfs/dbraw/zinc/36/78/53/309367853.db2.gz BKLDOSGUDHOUPT-XFWGSAIBSA-N 2 0 332.488 3.363 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783880 309368044 /nfs/dbraw/zinc/36/80/44/309368044.db2.gz LMUSHKZFOYAUTQ-INIZCTEOSA-N 3 0 338.499 3.295 10 0 EGAERP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H](C)[NH3+])cc2)c1 ZINC000422794381 309368660 /nfs/dbraw/zinc/36/86/60/309368660.db2.gz UGAOULMTBKFFNZ-GQWLDOHISA-N 2 0 340.467 3.204 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H]1CCN(c2ncccc2Cl)C1 ZINC000422880258 309373680 /nfs/dbraw/zinc/37/36/80/309373680.db2.gz WPTKIARWPZPDEN-BZUAXINKSA-N 2 0 336.911 3.214 10 0 EGAERP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@H](C)[NH3+])c(Cl)c1 ZINC000422892392 309374687 /nfs/dbraw/zinc/37/46/87/309374687.db2.gz YGLMHCPOSWAAFO-IFXJQAMLSA-N 2 0 332.875 3.439 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@H](C)C[C@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896982 309374810 /nfs/dbraw/zinc/37/48/10/309374810.db2.gz BCBXZFCEPDCKNU-GUDVDZBRSA-N 2 0 345.531 3.422 10 0 EGAERP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422899082 309375017 /nfs/dbraw/zinc/37/50/17/309375017.db2.gz NQAYTCPHVPPKOQ-HSALFYBXSA-N 2 0 332.488 3.112 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422901268 309375300 /nfs/dbraw/zinc/37/53/00/309375300.db2.gz RTZKWCBDAQQVEI-PKOBYXMFSA-N 2 0 346.515 3.030 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000422906212 309375605 /nfs/dbraw/zinc/37/56/05/309375605.db2.gz UMYHZUQECWUTCT-RZXSNQJFSA-N 2 0 343.515 3.032 10 0 EGAERP CN1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423016733 309381206 /nfs/dbraw/zinc/38/12/06/309381206.db2.gz UKOAEBCFGATSTL-OLDQVJMISA-N 2 0 337.870 3.097 10 0 EGAERP Cc1nn(-c2ccccc2)cc1C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423025978 309381593 /nfs/dbraw/zinc/38/15/93/309381593.db2.gz AJQIYXGPQXFTFN-OAHLLOKOSA-N 2 0 335.455 3.194 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423090520 309385294 /nfs/dbraw/zinc/38/52/94/309385294.db2.gz XVUHFIJIWUOMMW-INIZCTEOSA-N 2 0 338.499 3.416 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092674 309385571 /nfs/dbraw/zinc/38/55/71/309385571.db2.gz CXVXOWZRRIMWBP-ZHVBFISDSA-N 2 0 326.843 3.009 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CC[C@@H](C(=O)N2CCCCC2)C1 ZINC000423094719 309385770 /nfs/dbraw/zinc/38/57/70/309385770.db2.gz KPIZJTYLMNCRCQ-MKXGPGLRSA-N 2 0 335.536 3.068 10 0 EGAERP FC(F)(F)C1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108399 309386387 /nfs/dbraw/zinc/38/63/87/309386387.db2.gz MAXPQBLTIDHMNY-XJKSGUPXSA-N 2 0 326.362 3.174 10 0 EGAERP CCC[N@H+](CC)C[C@@H](C)N[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423143594 309388207 /nfs/dbraw/zinc/38/82/07/309388207.db2.gz XLXWJPKMJPTISV-LSTHTHJFSA-N 2 0 333.520 3.198 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423154694 309388600 /nfs/dbraw/zinc/38/86/00/309388600.db2.gz PKAREFZNDGRVMV-HIFRSBDPSA-N 2 0 348.441 3.250 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOCC1CCCC1 ZINC000423157370 309388696 /nfs/dbraw/zinc/38/86/96/309388696.db2.gz ARHULHGZDDFTQJ-UYAOXDASSA-N 2 0 330.472 3.039 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000423204933 309390283 /nfs/dbraw/zinc/39/02/83/309390283.db2.gz AVRACNIWZKUSSD-NWANDNLSSA-N 2 0 337.305 3.284 10 0 EGAERP COc1ccc([C@H](NCc2ccc([C@@H](C)[NH3+])cc2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423290960 309394186 /nfs/dbraw/zinc/39/41/86/309394186.db2.gz GBSLBARUWQXWII-NQERJWCQSA-N 2 0 339.483 3.298 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000423348386 309396464 /nfs/dbraw/zinc/39/64/64/309396464.db2.gz STWGCYCZRWJFNM-OAHLLOKOSA-N 2 0 337.261 3.172 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NCC[C@H]3CCC[NH2+]3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423367661 309397424 /nfs/dbraw/zinc/39/74/24/309397424.db2.gz YRFPAVQLWSZMTQ-ANULTFPQSA-N 3 0 327.516 3.161 10 0 EGAERP COCC1(C[NH2+][C@@H]2CCCOc3cc(Cl)ccc32)CC[NH2+]CC1 ZINC000423410954 309399072 /nfs/dbraw/zinc/39/90/72/309399072.db2.gz SRRABFCRAMVLAL-MRXNPFEDSA-N 2 0 338.879 3.160 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC(N[C@@H]2C[NH2+]CCC2(F)F)CC1 ZINC000423483058 309401936 /nfs/dbraw/zinc/40/19/36/309401936.db2.gz PSSBWLUQNSVCHX-OAHLLOKOSA-N 2 0 331.495 3.252 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)C[C@H]1C ZINC000423527020 309404945 /nfs/dbraw/zinc/40/49/45/309404945.db2.gz LWZRCZGENKAULA-KSPUYCPUSA-N 2 0 348.531 3.098 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426147594 309500261 /nfs/dbraw/zinc/50/02/61/309500261.db2.gz GZVCSRQHBSMRJY-MRXNPFEDSA-N 2 0 334.504 3.434 10 0 EGAERP CC(C)CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1CC[NH+](C)CC1 ZINC000426453123 309507381 /nfs/dbraw/zinc/50/73/81/309507381.db2.gz COXQCCCOBBKGLD-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C([NH2+][C@@H]1CC2CCC1CC2)C1(C[NH2+][C@@H]2CC3CCC2CC3)COC1 ZINC000433067039 309677703 /nfs/dbraw/zinc/67/77/03/309677703.db2.gz JINLYFUSEUBMMK-MHUBRMLGSA-N 2 0 332.532 3.340 10 0 EGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)Cc2ccoc2)CC1 ZINC000449082288 310035466 /nfs/dbraw/zinc/03/54/66/310035466.db2.gz MENZCDQPCKXQTF-GOSISDBHSA-N 2 0 341.499 3.138 10 0 EGAERP CCC[C@@H](CCO)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449168441 310041852 /nfs/dbraw/zinc/04/18/52/310041852.db2.gz ASEROLGQWWCIHW-QUCCMNQESA-N 2 0 332.532 3.470 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000449184849 310042968 /nfs/dbraw/zinc/04/29/68/310042968.db2.gz AKYUCEFCGIIRDA-HMFYCAOWSA-N 2 0 341.543 3.154 10 0 EGAERP CCOC(=O)C1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449250155 310047659 /nfs/dbraw/zinc/04/76/59/310047659.db2.gz OBGYLLQYDTULAW-QGZVFWFLSA-N 2 0 344.499 3.015 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCCO1 ZINC000449294221 310050869 /nfs/dbraw/zinc/05/08/69/310050869.db2.gz YHUKDQKIKJMHMZ-ZWKOTPCHSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000449304605 310051775 /nfs/dbraw/zinc/05/17/75/310051775.db2.gz ZNSWJLCVUQWKAS-LAUBAEHRSA-N 2 0 330.516 3.223 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC(C)(F)F)CC1 ZINC000449354431 310056027 /nfs/dbraw/zinc/05/60/27/310056027.db2.gz NKNYJQNLVYVOPM-UHFFFAOYSA-N 2 0 325.447 3.354 10 0 EGAERP CC[NH+]1CCN(CC(C)(C)[NH2+]Cc2ccc3nc(C)sc3c2)CC1 ZINC000449745540 310083915 /nfs/dbraw/zinc/08/39/15/310083915.db2.gz NTEOLBLYMIKXFV-UHFFFAOYSA-N 2 0 346.544 3.110 10 0 EGAERP FC1(F)CCCC[C@H]1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000450315816 310114851 /nfs/dbraw/zinc/11/48/51/310114851.db2.gz GBHADFWUHLLKDO-KRWDZBQOSA-N 2 0 330.463 3.246 10 0 EGAERP CC[N@H+](CCC1CCN(Cc2cn(CC3CC3)nn2)CC1)CC(C)C ZINC000450650880 310135112 /nfs/dbraw/zinc/13/51/12/310135112.db2.gz OQTFIAAGTNYBSJ-UHFFFAOYSA-N 2 0 347.551 3.268 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CCC1 ZINC000453063572 310255455 /nfs/dbraw/zinc/25/54/55/310255455.db2.gz NVOWPERTJWQNCA-IBGZPJMESA-N 2 0 330.520 3.282 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453410052 310275564 /nfs/dbraw/zinc/27/55/64/310275564.db2.gz USHXQERDLYHVER-GHTZIAJQSA-N 2 0 329.532 3.361 10 0 EGAERP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1F ZINC000459663271 310567168 /nfs/dbraw/zinc/56/71/68/310567168.db2.gz WSYKFMHVRMDQCU-CQSZACIVSA-N 2 0 327.403 3.450 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC(O)(CC)CC)CC1 ZINC000471828436 310749450 /nfs/dbraw/zinc/74/94/50/310749450.db2.gz VNLRNFSVEPWGIF-UHFFFAOYSA-N 2 0 347.547 3.249 10 0 EGAERP COCC1(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000516181508 312313307 /nfs/dbraw/zinc/31/33/07/312313307.db2.gz JUEWYTSZWLRYMI-GOSISDBHSA-N 2 0 330.516 3.488 10 0 EGAERP COC[C@@H]([NH2+]Cc1ccc2c(c1)C[NH2+]CC2)c1ccc(F)c(F)c1 ZINC000516932278 312352133 /nfs/dbraw/zinc/35/21/33/312352133.db2.gz IELQTTUKHATJCU-LJQANCHMSA-N 2 0 332.394 3.088 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC(F)(F)C1 ZINC000529544996 313351366 /nfs/dbraw/zinc/35/13/66/313351366.db2.gz YMUFENWYBITDJK-KBXCAEBGSA-N 2 0 338.442 3.167 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000536961758 314155312 /nfs/dbraw/zinc/15/53/12/314155312.db2.gz MPZLUIOCKSLWTI-FQEVSTJZSA-N 2 0 333.495 3.202 10 0 EGAERP C[C@@H](c1cccc(F)c1)N1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000537682501 314202518 /nfs/dbraw/zinc/20/25/18/314202518.db2.gz VQWXHSKPNDWYNM-PXNSSMCTSA-N 2 0 333.495 3.379 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+](C)[C@@H](C)C3)c2)C[C@H](C)O1 ZINC000539687458 314328687 /nfs/dbraw/zinc/32/86/87/314328687.db2.gz DDZVDRKWSHQMAJ-MIALQEHNSA-N 2 0 331.504 3.190 10 0 EGAERP FC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550262677 315122256 /nfs/dbraw/zinc/12/22/56/315122256.db2.gz NQFFDDCSBWWWSL-GOSISDBHSA-N 2 0 332.463 3.007 10 0 EGAERP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000559301637 315626832 /nfs/dbraw/zinc/62/68/32/315626832.db2.gz FJKAPUMDDLUAMM-FKAKGIQBSA-N 2 0 336.520 3.495 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+][C@@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)C1 ZINC000563423151 316019242 /nfs/dbraw/zinc/01/92/42/316019242.db2.gz CXELEXNVQPOUHP-RBSFLKMASA-N 2 0 346.425 3.003 10 0 EGAERP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000570081476 317004859 /nfs/dbraw/zinc/00/48/59/317004859.db2.gz AUVAWXZPVOGDPX-UHFFFAOYSA-N 2 0 335.467 3.173 10 0 EGAERP Cc1ccc(OC[C@H](O)C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000570322145 317039377 /nfs/dbraw/zinc/03/93/77/317039377.db2.gz BKAWICXMIHWVBZ-HXUWFJFHSA-N 2 0 346.515 3.121 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000572614566 317365457 /nfs/dbraw/zinc/36/54/57/317365457.db2.gz BGKXIRSNKSLCIL-IRXDYDNUSA-N 2 0 329.488 3.341 10 0 EGAERP c1ccc(COC[C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1 ZINC000384093738 324258589 /nfs/dbraw/zinc/25/85/89/324258589.db2.gz MWMVLMJKPWTFIM-HXUWFJFHSA-N 2 0 336.479 3.371 10 0 EGAERP Cc1ccc(OC[C@@H](O)C[NH2+]CC2CC[NH+](CCC(C)C)CC2)cc1 ZINC000581424251 325360129 /nfs/dbraw/zinc/36/01/29/325360129.db2.gz GZNNSXFASDNZFY-FQEVSTJZSA-N 2 0 348.531 3.082 10 0 EGAERP CC(C)[NH2+]CCC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000583138243 325498355 /nfs/dbraw/zinc/49/83/55/325498355.db2.gz IVCPOCHOHDIRHY-LBPRGKRZSA-N 2 0 331.273 3.497 10 0 EGAERP [NH3+]CCCN(c1cccc(F)c1)C1CC[NH+](Cc2cccnc2)CC1 ZINC000183218526 455253036 /nfs/dbraw/zinc/25/30/36/455253036.db2.gz JHTZWYXBGHRGGI-UHFFFAOYSA-N 2 0 342.462 3.041 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000631809348 460569626 /nfs/dbraw/zinc/56/96/26/460569626.db2.gz OFOHIQMRIDNXKH-CRAIPNDOSA-N 2 0 328.460 3.009 10 0 EGAERP [NH3+][C@H]1CCCCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000631833452 460576477 /nfs/dbraw/zinc/57/64/77/460576477.db2.gz AOJALVFIHFPVHU-HNNXBMFYSA-N 2 0 334.851 3.136 10 0 EGAERP O[C@@H]1CCC[C@@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245694745 455358054 /nfs/dbraw/zinc/35/80/54/455358054.db2.gz KVOBSRGMDJXRRA-SSSFQFABSA-N 2 0 328.500 3.323 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969734 460599298 /nfs/dbraw/zinc/59/92/98/460599298.db2.gz XQIAYHLBANUFJO-CABCVRRESA-N 2 0 346.302 3.053 10 0 EGAERP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000084961232 454017673 /nfs/dbraw/zinc/01/76/73/454017673.db2.gz MNHSNYTVSKDXIB-QGZVFWFLSA-N 2 0 328.456 3.475 10 0 EGAERP Cc1cccc(N2CC[NH+](CCCC[NH2+][C@@H]3CCCSC3)CC2)c1 ZINC000131092367 454235025 /nfs/dbraw/zinc/23/50/25/454235025.db2.gz XZHLHYZTNLHPQA-LJQANCHMSA-N 2 0 347.572 3.382 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000078594352 454282659 /nfs/dbraw/zinc/28/26/59/454282659.db2.gz AHACMMACJLRJGC-OAQYLSRUSA-N 2 0 337.511 3.442 10 0 EGAERP C[N@H+](CCOC(C)(C)C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000106126933 454681525 /nfs/dbraw/zinc/68/15/25/454681525.db2.gz YHQQPXJKSIEKAH-FQEVSTJZSA-N 2 0 348.531 3.179 10 0 EGAERP COc1cccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000177381193 454858688 /nfs/dbraw/zinc/85/86/88/454858688.db2.gz DCWUKEFKTPYTJT-SFHVURJKSA-N 2 0 345.531 3.296 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000165859868 454904562 /nfs/dbraw/zinc/90/45/62/454904562.db2.gz HRUFYEVLPBNRBK-LZJOCLMNSA-N 2 0 339.483 3.479 10 0 EGAERP C[NH+]1CCN(c2cc[nH+]c(NC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000114702478 454970408 /nfs/dbraw/zinc/97/04/08/454970408.db2.gz NUJZNISZZFMSQB-UHFFFAOYSA-N 2 0 326.488 3.214 10 0 EGAERP Cc1cc2c(cc1C)[C@H]([NH2+]CCCN1CCC[N@@H+](C)CC1)CCCO2 ZINC000128418943 455054721 /nfs/dbraw/zinc/05/47/21/455054721.db2.gz GHPKPWZZNROAKB-HXUWFJFHSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)c2cc(F)ccc2F)CC1 ZINC000247191010 455571153 /nfs/dbraw/zinc/57/11/53/455571153.db2.gz OEOPJRVCOSJLPA-ZIAGYGMSSA-N 2 0 326.431 3.050 10 0 EGAERP CCc1nccn1[C@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247388416 455594377 /nfs/dbraw/zinc/59/43/77/455594377.db2.gz WTZNPIIOWAYAAE-DLBZAZTESA-N 2 0 333.863 3.469 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)N2CCCc3ccccc32)[C@H](C)C1 ZINC000285131796 455793057 /nfs/dbraw/zinc/79/30/57/455793057.db2.gz SKHLRABQKSPKCS-MJGOQNOKSA-N 2 0 343.515 3.018 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000252696159 455829068 /nfs/dbraw/zinc/82/90/68/455829068.db2.gz MYPXKOLKLMRJMX-SXLOBPIMSA-N 2 0 333.520 3.069 10 0 EGAERP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261950061 455975883 /nfs/dbraw/zinc/97/58/83/455975883.db2.gz OCWCXDZLIMLUDQ-AQNXPRMDSA-N 2 0 346.515 3.110 10 0 EGAERP CC(C)c1nnc(C[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)[nH]1 ZINC000296589203 455982430 /nfs/dbraw/zinc/98/24/30/455982430.db2.gz UWINRZLNHDVXOU-UHFFFAOYSA-N 2 0 341.503 3.461 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)CC[NH2+]1 ZINC000262399307 456032711 /nfs/dbraw/zinc/03/27/11/456032711.db2.gz NYPBSHRMAZIESF-PXNSSMCTSA-N 2 0 343.515 3.067 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000272766941 456064662 /nfs/dbraw/zinc/06/46/62/456064662.db2.gz MGYBOUOZJFDAGP-WDYCEAGBSA-N 2 0 326.488 3.149 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)C(CC)CC)CC1 ZINC000236783503 456183351 /nfs/dbraw/zinc/18/33/51/456183351.db2.gz PFVBZDZTQZNFPU-OAQYLSRUSA-N 2 0 347.547 3.105 10 0 EGAERP CCOc1ccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OCC ZINC000297615064 456263416 /nfs/dbraw/zinc/26/34/16/456263416.db2.gz VMLKNSQTPRJULN-UHFFFAOYSA-N 2 0 325.412 3.422 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+]C2CCN(C3CC3)CC2)c1 ZINC000340197738 456307547 /nfs/dbraw/zinc/30/75/47/456307547.db2.gz OAERUTIFJKQJEZ-UHFFFAOYSA-N 2 0 327.516 3.389 10 0 EGAERP Cc1c(F)cccc1-c1ccc(C[NH2+]CCCN2CC[NH+](C)CC2)o1 ZINC000347748552 456347224 /nfs/dbraw/zinc/34/72/24/456347224.db2.gz YKQKELXZDAIDLQ-UHFFFAOYSA-N 2 0 345.462 3.121 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@@H]1C ZINC000340477077 456483914 /nfs/dbraw/zinc/48/39/14/456483914.db2.gz WZHCFHRPOJHHDX-FXAWDEMLSA-N 2 0 341.503 3.221 10 0 EGAERP Cc1nccnc1CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000340491532 456490007 /nfs/dbraw/zinc/49/00/07/456490007.db2.gz RJDAWVYPCWZRDB-IHWFROFDSA-N 2 0 336.483 3.113 10 0 EGAERP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353401056 456676639 /nfs/dbraw/zinc/67/66/39/456676639.db2.gz HFUCRYSNPVNFFO-YGWPLHOASA-N 2 0 343.515 3.177 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000341066930 456812096 /nfs/dbraw/zinc/81/20/96/456812096.db2.gz KUEHOFFVNARGBZ-QWFCFKBJSA-N 2 0 343.515 3.030 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000353631276 456815543 /nfs/dbraw/zinc/81/55/43/456815543.db2.gz KSHKJYNFJWEKSJ-UMSONDCASA-N 2 0 342.531 3.069 10 0 EGAERP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000338437251 456820588 /nfs/dbraw/zinc/82/05/88/456820588.db2.gz HMXIQMMJZPDNSF-UHFFFAOYSA-N 2 0 341.503 3.094 10 0 EGAERP CC[N@H+](CCCCCO)C1CCN(c2cc(C)nc(C(C)C)n2)CC1 ZINC000362895857 457145470 /nfs/dbraw/zinc/14/54/70/457145470.db2.gz DSCOYYPPEBGVMG-UHFFFAOYSA-N 2 0 348.535 3.362 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342685686 457454952 /nfs/dbraw/zinc/45/49/52/457454952.db2.gz ZDBPMUGHVPBVSA-QZTJIDSGSA-N 2 0 343.515 3.162 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000401148738 457524428 /nfs/dbraw/zinc/52/44/28/457524428.db2.gz OZGDXRJMZOAJLO-PLACYPQZSA-N 2 0 327.516 3.019 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@@H](C)C2)CC1 ZINC000356304595 457562143 /nfs/dbraw/zinc/56/21/43/457562143.db2.gz JGPTYQQTURTUNB-RBUKOAKNSA-N 2 0 345.531 3.123 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000357642221 457636956 /nfs/dbraw/zinc/63/69/56/457636956.db2.gz AJOWFOQJKFNLDY-HKUYNNGSSA-N 2 0 335.536 3.164 10 0 EGAERP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000357788857 457690116 /nfs/dbraw/zinc/69/01/16/457690116.db2.gz DFFWJBCIBKXNDL-BEFAXECRSA-N 2 0 327.472 3.334 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[N@@H+](C)CCc1cnccn1 ZINC000361345050 457700196 /nfs/dbraw/zinc/70/01/96/457700196.db2.gz CNMGFPDDPRDQRG-UHFFFAOYSA-N 2 0 337.471 3.480 10 0 EGAERP CC1=CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@@H](C)C2)CC1 ZINC000358234264 457877264 /nfs/dbraw/zinc/87/72/64/457877264.db2.gz WWDDRZYNOLWIKP-FPOVZHCZSA-N 2 0 327.516 3.281 10 0 EGAERP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000375844052 458092100 /nfs/dbraw/zinc/09/21/00/458092100.db2.gz ZJGCYJSHWTUFJI-QRVBRYPASA-N 2 0 344.503 3.179 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOCCOCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000375894316 458112201 /nfs/dbraw/zinc/11/22/01/458112201.db2.gz DJLMMOCTLACLEK-HKBOAZHASA-N 2 0 346.515 3.072 10 0 EGAERP CCc1nc(C)c(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)o1 ZINC000428963344 458242211 /nfs/dbraw/zinc/24/22/11/458242211.db2.gz OWVQNEZZGJZHRN-HNNXBMFYSA-N 2 0 328.460 3.458 10 0 EGAERP FC(F)(F)OCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000447600081 458318575 /nfs/dbraw/zinc/31/85/75/458318575.db2.gz LQJDHRVMJOFPTF-PHZGNYQRSA-N 2 0 328.378 3.308 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814367 458374392 /nfs/dbraw/zinc/37/43/92/458374392.db2.gz ZORHJIUYXZZIPO-CBJHCWRLSA-N 2 0 349.563 3.218 10 0 EGAERP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423499403 458443388 /nfs/dbraw/zinc/44/33/88/458443388.db2.gz AVSOJSZKFVFSJO-AFMYVXGZSA-N 2 0 343.515 3.015 10 0 EGAERP Fc1cccc2c1SCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423505380 458446231 /nfs/dbraw/zinc/44/62/31/458446231.db2.gz HOPWYSGSBQUFOU-JMLCCBQJSA-N 2 0 349.519 3.169 10 0 EGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc2ccccc2n1 ZINC000423512246 458447920 /nfs/dbraw/zinc/44/79/20/458447920.db2.gz ONGJRGUQICSJPX-IVMQYODDSA-N 2 0 338.499 3.102 10 0 EGAERP O[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438203940 458548144 /nfs/dbraw/zinc/54/81/44/458548144.db2.gz XGBSGXNTNAJBBW-RTWAWAEBSA-N 2 0 346.515 3.203 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000424307286 458611798 /nfs/dbraw/zinc/61/17/98/458611798.db2.gz XHWBFTTVDYVUMT-LAGDQHSMSA-N 2 0 329.488 3.091 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431754563 458618232 /nfs/dbraw/zinc/61/82/32/458618232.db2.gz NMGHFDXNFHAKTE-CEXWTWQISA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCc2ccccc2Br)[C@H](C)C1 ZINC000470176343 458620588 /nfs/dbraw/zinc/62/05/88/458620588.db2.gz WDCNNLRCVJOHGX-CZUORRHYSA-N 2 0 325.294 3.312 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(OC)C2CC2)CC1 ZINC000462903855 458666733 /nfs/dbraw/zinc/66/67/33/458666733.db2.gz DDCCWZBRZUYBDS-OAQYLSRUSA-N 2 0 345.531 3.123 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208608 458716515 /nfs/dbraw/zinc/71/65/15/458716515.db2.gz FXXQBWRVDNIIPI-LJCCNALRSA-N 2 0 330.472 3.117 10 0 EGAERP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000530224833 458723855 /nfs/dbraw/zinc/72/38/55/458723855.db2.gz MNQCZWQTLSJSKO-XFBWCDHKSA-N 2 0 330.303 3.326 10 0 EGAERP C(C[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1)[C@@H]1CCC[NH2+]C1 ZINC000530225930 458723759 /nfs/dbraw/zinc/72/37/59/458723759.db2.gz YKXPHWAGILFHFV-KRWDZBQOSA-N 2 0 346.519 3.371 10 0 EGAERP Fc1ccc2nc(C[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)sc2c1 ZINC000530248096 458730256 /nfs/dbraw/zinc/73/02/56/458730256.db2.gz FUYPZXJINHJMOU-OAHLLOKOSA-N 2 0 349.475 3.026 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1ccc(Cl)c(F)c1 ZINC000547431855 458739472 /nfs/dbraw/zinc/73/94/72/458739472.db2.gz APSJZMVASQUYJA-ZIAGYGMSSA-N 2 0 327.875 3.156 10 0 EGAERP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000518348814 458859689 /nfs/dbraw/zinc/85/96/89/458859689.db2.gz CMWGCPSHFJGFQK-SFHVURJKSA-N 2 0 346.862 3.008 10 0 EGAERP COc1ccc([C@@H](C)[C@@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000474938853 458908993 /nfs/dbraw/zinc/90/89/93/458908993.db2.gz AEOJPFJTPUUOTP-DLBZAZTESA-N 2 0 332.488 3.437 10 0 EGAERP O=C(NCC[C@@H]1CCC[NH2+]C1)Nc1cccc(Oc2ccncc2)c1 ZINC000556958221 459037985 /nfs/dbraw/zinc/03/79/85/459037985.db2.gz HMGGDEGEXGFMMV-HNNXBMFYSA-N 2 0 340.427 3.385 10 0 EGAERP C[N@@H+]1CC[C@H]2[C@@H](CCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000520597416 459076295 /nfs/dbraw/zinc/07/62/95/459076295.db2.gz LAAXPXAMXMTSBQ-YOEHRIQHSA-N 2 0 328.485 3.121 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccccc1 ZINC000443069614 459084870 /nfs/dbraw/zinc/08/48/70/459084870.db2.gz NDNXIBWDRNLQDP-FQEVSTJZSA-N 2 0 331.548 3.432 10 0 EGAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476296 459095173 /nfs/dbraw/zinc/09/51/73/459095173.db2.gz STUVFPQKNSTSKH-KXBFYZLASA-N 2 0 329.488 3.245 10 0 EGAERP Cc1ccc2ncc(C[NH2+]C[C@H]3CSc4ccccc4O3)n2c1 ZINC000577869259 459111771 /nfs/dbraw/zinc/11/17/71/459111771.db2.gz AUBBZCUFVFJNDQ-HNNXBMFYSA-N 2 0 325.437 3.286 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CC(=O)OC(C)C)C(C)C ZINC000594624485 459117130 /nfs/dbraw/zinc/11/71/30/459117130.db2.gz QNMWPGBYSJUWRT-SFHVURJKSA-N 2 0 344.459 3.032 10 0 EGAERP O[C@@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC000567682480 459143841 /nfs/dbraw/zinc/14/38/41/459143841.db2.gz SXJCZLYWWWILKD-INIZCTEOSA-N 2 0 330.394 3.075 10 0 EGAERP Clc1cccc(-c2noc(CC[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)c1 ZINC000567889264 459184063 /nfs/dbraw/zinc/18/40/63/459184063.db2.gz GLMCHUKMWQUNSB-GOSISDBHSA-N 2 0 346.862 3.008 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCCC1 ZINC000480265710 459190892 /nfs/dbraw/zinc/19/08/92/459190892.db2.gz NSEAXRXTXQLOKW-TZIWHRDSSA-N 2 0 329.532 3.363 10 0 EGAERP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000559301642 459250157 /nfs/dbraw/zinc/25/01/57/459250157.db2.gz FJKAPUMDDLUAMM-YYZRRKBYSA-N 2 0 336.520 3.495 10 0 EGAERP CN(CC[N@H+](C)[C@@H]1CC[C@@](C)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000561395440 459449861 /nfs/dbraw/zinc/44/98/61/459449861.db2.gz FLWJIYZSWXJGTE-FGZHOGPDSA-N 2 0 343.559 3.455 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)C1(C(=O)OC)CCC1 ZINC000592401124 459593242 /nfs/dbraw/zinc/59/32/42/459593242.db2.gz AMTSFZKECZHVHW-QYZOEREBSA-N 2 0 344.499 3.043 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)C1 ZINC000527725446 459714967 /nfs/dbraw/zinc/71/49/67/459714967.db2.gz LSCRWLRUFFIGCF-FQEVSTJZSA-N 2 0 335.451 3.024 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+][C@@H](C)CN(C)C(C)C)CC3 ZINC000584868546 459816001 /nfs/dbraw/zinc/81/60/01/459816001.db2.gz DPMJXEKWYNXXQZ-GJZGRUSLSA-N 2 0 329.488 3.352 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000575046065 459915490 /nfs/dbraw/zinc/91/54/90/459915490.db2.gz ADGFESLTPNGIED-NRFANRHFSA-N 2 0 329.532 3.220 10 0 EGAERP Cc1cccc(-c2noc(C[N@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)n2)c1 ZINC000576457141 460143546 /nfs/dbraw/zinc/14/35/46/460143546.db2.gz AZBHTKPOZMLIFR-HNNXBMFYSA-N 2 0 326.444 3.009 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2nc(-c3cccc(Cl)c3)no2)CC1(C)C ZINC000623419943 460537923 /nfs/dbraw/zinc/53/79/23/460537923.db2.gz DGYPGXGROBAQJN-OAHLLOKOSA-N 2 0 348.878 3.395 10 0 EGAERP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCCN(C)C1 ZINC000623870714 460753507 /nfs/dbraw/zinc/75/35/07/460753507.db2.gz KIMGALHNMWVMAQ-PWSUYJOCSA-N 2 0 335.801 3.369 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629529348 460798389 /nfs/dbraw/zinc/79/83/89/460798389.db2.gz AGOGIZKIXNPOEZ-IBGZPJMESA-N 2 0 334.410 3.074 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629538730 460800679 /nfs/dbraw/zinc/80/06/79/460800679.db2.gz OMZHLEQKKKYKER-GOEBONIOSA-N 2 0 330.394 3.297 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCOc2c(Cl)c(Cl)ccc21 ZINC000629541472 460801645 /nfs/dbraw/zinc/80/16/45/460801645.db2.gz PEQJNGWVVBFKQP-CYBMUJFWSA-N 2 0 333.259 3.162 10 0 EGAERP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252372 461145097 /nfs/dbraw/zinc/14/50/97/461145097.db2.gz NHLQGNULCXHGJO-KGLIPLIRSA-N 2 0 338.854 3.007 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000662284232 461166124 /nfs/dbraw/zinc/16/61/24/461166124.db2.gz GGMFGOWPGJXTFV-QGPMSJSTSA-N 2 0 338.492 3.136 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662350483 461205127 /nfs/dbraw/zinc/20/51/27/461205127.db2.gz CHVDWMVFWJJRDT-LPHOPBHVSA-N 2 0 343.515 3.060 10 0 EGAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)NC[C@H]1CCC[N@@H+]1Cc1ccccc1 ZINC000659288736 461277438 /nfs/dbraw/zinc/27/74/38/461277438.db2.gz QAHLCGCEIIMWHX-TZIWHRDSSA-N 2 0 349.478 3.002 10 0 EGAERP CC(C)C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1)c1ccccc1 ZINC000668740722 461411029 /nfs/dbraw/zinc/41/10/29/461411029.db2.gz WTEAROBIIRZVFJ-FPOVZHCZSA-N 2 0 330.516 3.347 10 0 EGAERP CO[C@@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000659861418 461462934 /nfs/dbraw/zinc/46/29/34/461462934.db2.gz VOPFTQDZXZMHHQ-FQEVSTJZSA-N 2 0 338.536 3.016 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806233 461465831 /nfs/dbraw/zinc/46/58/31/461465831.db2.gz RXKHZSZVNMFZTM-MDZRGWNJSA-N 2 0 331.504 3.457 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000655805394 461466366 /nfs/dbraw/zinc/46/63/66/461466366.db2.gz MYXQQQOXANRPAU-CRFBAAHOSA-N 2 0 331.410 3.379 10 0 EGAERP COCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000655819254 461475267 /nfs/dbraw/zinc/47/52/67/461475267.db2.gz XSTNXUIGRCBTPW-SLFFLAALSA-N 2 0 328.500 3.303 10 0 EGAERP C[C@@H](C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cccc(Br)c1 ZINC000655827665 461482714 /nfs/dbraw/zinc/48/27/14/461482714.db2.gz XFQAWDKZJAYHMO-HEHGZKQESA-N 2 0 325.294 3.482 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Br)c3cccnc23)C1 ZINC000655827727 461483036 /nfs/dbraw/zinc/48/30/36/461483036.db2.gz YXWKZNJUWMMEPF-XBXGTLAGSA-N 2 0 348.288 3.427 10 0 EGAERP COc1c(C)cccc1C[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000655832524 461485900 /nfs/dbraw/zinc/48/59/00/461485900.db2.gz VPIBLDPWOFAVOR-UHFFFAOYSA-N 2 0 328.456 3.234 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631063962 461515623 /nfs/dbraw/zinc/51/56/23/461515623.db2.gz PJYPPSSLWGSSRV-OAHLLOKOSA-N 2 0 349.906 3.449 10 0 EGAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c3c(nn2C)CCCC3)CC1 ZINC000631086583 461537209 /nfs/dbraw/zinc/53/72/09/461537209.db2.gz YSANTBQAQUVUAJ-UHFFFAOYSA-N 2 0 332.536 3.147 10 0 EGAERP CN(c1ccccc1C[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000647256623 461593802 /nfs/dbraw/zinc/59/38/02/461593802.db2.gz ZZIFRHCVBJLRBP-BHIYHBOVSA-N 2 0 327.516 3.495 10 0 EGAERP FC(F)c1ccc(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)cn1 ZINC000631173103 461610884 /nfs/dbraw/zinc/61/08/84/461610884.db2.gz ZWEYVQXIBJIELG-UHFFFAOYSA-N 2 0 346.425 3.416 10 0 EGAERP CC(C)C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1ccncc1 ZINC000647290038 461615408 /nfs/dbraw/zinc/61/54/08/461615408.db2.gz TZDBDFKGMLSBGR-YLJYHZDGSA-N 2 0 331.504 3.259 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000647344229 461647013 /nfs/dbraw/zinc/64/70/13/461647013.db2.gz MGIVPKYRSXNKBN-IPELMVKDSA-N 2 0 338.451 3.411 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000663502422 461675189 /nfs/dbraw/zinc/67/51/89/461675189.db2.gz ISKGOSBDATUKQR-WMLDXEAASA-N 2 0 339.911 3.040 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(Br)cc1F ZINC000663504186 461675720 /nfs/dbraw/zinc/67/57/20/461675720.db2.gz XPSSCSQBPDXKQL-XHDPSFHLSA-N 2 0 331.273 3.482 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH+]2CC(c3ccccc3F)C2)cc1 ZINC000643355234 461702731 /nfs/dbraw/zinc/70/27/31/461702731.db2.gz NYZPJPXABOWUHW-UHFFFAOYSA-N 2 0 328.431 3.366 10 0 EGAERP CC(C)CN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H]1CCCc2cccnc21 ZINC000660315990 461703756 /nfs/dbraw/zinc/70/37/56/461703756.db2.gz UEFSUKRCCKTVSJ-OALUTQOASA-N 2 0 333.520 3.118 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOCC2CC2)cc1 ZINC000656407791 461735622 /nfs/dbraw/zinc/73/56/22/461735622.db2.gz HJPCMOLCVRYBJJ-CBPXPLCBSA-N 2 0 340.511 3.255 10 0 EGAERP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000666853916 461836660 /nfs/dbraw/zinc/83/66/60/461836660.db2.gz MSJFWPNVHQZENS-IRXDYDNUSA-N 2 0 339.487 3.420 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2cn(-c3ccccc3)nc2-c2cccnc2)CC1 ZINC000650713158 461906820 /nfs/dbraw/zinc/90/68/20/461906820.db2.gz HPDASCLGJWBCIS-UHFFFAOYSA-N 2 0 347.466 3.153 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2nc(-c3cccc(Br)c3)c[nH]2)CC1 ZINC000650713194 461907198 /nfs/dbraw/zinc/90/71/98/461907198.db2.gz JEBZEZQCKQSTCD-UHFFFAOYSA-N 2 0 349.276 3.058 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1 ZINC000650719531 461911283 /nfs/dbraw/zinc/91/12/83/461911283.db2.gz SVKFQAPZZLUKCD-HNNXBMFYSA-N 2 0 328.456 3.144 10 0 EGAERP C[C@H]([NH2+][C@@H]1CNc2ccccc2C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000650750793 461933795 /nfs/dbraw/zinc/93/37/95/461933795.db2.gz LDUKXFOUBBBBSK-LPHOPBHVSA-N 2 0 339.483 3.314 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(NC(C)=O)cc1OC ZINC000650756719 461936743 /nfs/dbraw/zinc/93/67/43/461936743.db2.gz IJJCKLUJMZSKFX-AWEZNQCLSA-N 2 0 341.455 3.224 10 0 EGAERP O[C@H](C[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1)CC1CCCC1 ZINC000644545361 461979813 /nfs/dbraw/zinc/97/98/13/461979813.db2.gz LFSCOKKIQLVVMJ-SFTDATJTSA-N 2 0 330.516 3.082 10 0 EGAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639579009 462000052 /nfs/dbraw/zinc/00/00/52/462000052.db2.gz AJYHDFUVBPJBOL-HOTGVXAUSA-N 2 0 325.456 3.033 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cncc(Br)c2C)CC1 ZINC000657346990 462061914 /nfs/dbraw/zinc/06/19/14/462061914.db2.gz KMFLUMQVNHQCQZ-UHFFFAOYSA-N 2 0 340.309 3.364 10 0 EGAERP CC[C@@H]1C[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657387741 462091115 /nfs/dbraw/zinc/09/11/15/462091115.db2.gz ZLPIMKGKXVFWDY-WOJBJXKFSA-N 2 0 346.515 3.215 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667590253 462162567 /nfs/dbraw/zinc/16/25/67/462162567.db2.gz PYHOKHHMMBPQSW-UHFFFAOYSA-N 2 0 338.499 3.173 10 0 EGAERP c1c2ccncc2sc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657538043 462172316 /nfs/dbraw/zinc/17/23/16/462172316.db2.gz WSLQNZGKNWWXNJ-UHFFFAOYSA-N 2 0 345.512 3.277 10 0 EGAERP C[C@]1(c2ccccc2)CN(Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000667622672 462178608 /nfs/dbraw/zinc/17/86/08/462178608.db2.gz WCIOUEZQFQWCFJ-HXUWFJFHSA-N 2 0 334.423 3.015 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cc(Cl)cc2cccnc21 ZINC000657573690 462187277 /nfs/dbraw/zinc/18/72/77/462187277.db2.gz ORIQTULVLQYZSM-HNNXBMFYSA-N 2 0 348.922 3.250 10 0 EGAERP Cc1cc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1C ZINC000657594691 462196834 /nfs/dbraw/zinc/19/68/34/462196834.db2.gz KKCHYOLQKMYTFR-JOCHJYFZSA-N 2 0 338.495 3.468 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3F)cc2)C1 ZINC000657595481 462197419 /nfs/dbraw/zinc/19/74/19/462197419.db2.gz QBVPZAWLTOQBMM-KRWDZBQOSA-N 2 0 348.849 3.336 10 0 EGAERP FC1(F)C[C@H]1OCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657618562 462205057 /nfs/dbraw/zinc/20/50/57/462205057.db2.gz HELBTLHGNOTQKK-IAGOWNOFSA-N 2 0 336.426 3.197 10 0 EGAERP C[C@@H](O)CC[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836142 462210031 /nfs/dbraw/zinc/21/00/31/462210031.db2.gz JJANIRXVGIFYKJ-XLIONFOSSA-N 2 0 330.516 3.380 10 0 EGAERP C[C@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000657666840 462222429 /nfs/dbraw/zinc/22/24/29/462222429.db2.gz UETTUFKOUNQJHP-FXAWDEMLSA-N 2 0 332.488 3.208 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H](C)C1 ZINC000651469383 462238031 /nfs/dbraw/zinc/23/80/31/462238031.db2.gz LMAVLAJDWUDJIN-VXLLPVPCSA-N 2 0 348.478 3.263 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771546 462259582 /nfs/dbraw/zinc/25/95/82/462259582.db2.gz CVZPVLRGIPITQM-HOJAQTOUSA-N 2 0 328.500 3.446 10 0 EGAERP Cc1ncc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1C ZINC000657773571 462261690 /nfs/dbraw/zinc/26/16/90/462261690.db2.gz SIFZNRKDSFBCOQ-LJQANCHMSA-N 2 0 338.499 3.120 10 0 EGAERP CC[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774128 462261992 /nfs/dbraw/zinc/26/19/92/462261992.db2.gz XHFAQBRQBBZDQQ-VAMGGRTRSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CC[NH+](C)CC2)cc1)C(C)(C)C(F)F ZINC000657841399 462292685 /nfs/dbraw/zinc/29/26/85/462292685.db2.gz CRNYRMVBFNLTFU-HNNXBMFYSA-N 2 0 339.474 3.203 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2[C@@H]3CCC[C@@H]3C2(C)C)(N2CCCCC2)CC1 ZINC000657892808 462309607 /nfs/dbraw/zinc/30/96/07/462309607.db2.gz MWEVWBMAZMVSNB-QYZOEREBSA-N 2 0 333.564 3.351 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667972932 462354963 /nfs/dbraw/zinc/35/49/63/462354963.db2.gz CFEGRIWUZOLTIL-SXYSDOLCSA-N 2 0 326.484 3.054 10 0 EGAERP CC(C)C[N@H+](C)CCCNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000651865890 462359925 /nfs/dbraw/zinc/35/99/25/462359925.db2.gz LNORWGQZYRUEAO-UHFFFAOYSA-N 2 0 349.538 3.400 10 0 EGAERP CC[C@H](COCC1CC1)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236659 462363380 /nfs/dbraw/zinc/36/33/80/462363380.db2.gz RQCNXWVSAIFMEH-YVWKXTFCSA-N 2 0 330.472 3.037 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccn1 ZINC000658063177 462363469 /nfs/dbraw/zinc/36/34/69/462363469.db2.gz JMJUJJBFMZHMAK-IAGOWNOFSA-N 2 0 327.472 3.476 10 0 EGAERP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273208 462378043 /nfs/dbraw/zinc/37/80/43/462378043.db2.gz RQLRFOLUQUJEQE-QKNQBKEWSA-N 2 0 335.451 3.102 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665276575 462380353 /nfs/dbraw/zinc/38/03/53/462380353.db2.gz GWAXJUPAIKATSC-PMACEKPBSA-N 3 0 327.516 3.020 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000665282103 462382604 /nfs/dbraw/zinc/38/26/04/462382604.db2.gz QUNOFSXGSPUZJQ-NCYKPQTJSA-N 3 0 329.532 3.393 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(F)c(F)c(F)c1 ZINC000658106298 462386668 /nfs/dbraw/zinc/38/66/68/462386668.db2.gz AZIFHWNPFXKWHC-QWHCGFSZSA-N 2 0 331.426 3.027 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccccn1 ZINC000658138423 462401522 /nfs/dbraw/zinc/40/15/22/462401522.db2.gz NCZABLIZIBQXKD-WOJBJXKFSA-N 2 0 339.483 3.279 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139636 462403641 /nfs/dbraw/zinc/40/36/41/462403641.db2.gz QQHMGPWBNYHEIZ-CJNGLKHVSA-N 2 0 330.394 3.074 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143124 462404757 /nfs/dbraw/zinc/40/47/57/462404757.db2.gz WSZXKIPRODJPJI-LAUBAEHRSA-N 2 0 340.442 3.169 10 0 EGAERP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658143211 462406935 /nfs/dbraw/zinc/40/69/35/462406935.db2.gz XRUUNNDLIRSCEH-ACJLOTCBSA-N 2 0 345.512 3.177 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143179 462407165 /nfs/dbraw/zinc/40/71/65/462407165.db2.gz XIOABCVOYZHPQV-JLTOFOAXSA-N 2 0 346.421 3.382 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cn2ccccc2n1 ZINC000658167931 462416062 /nfs/dbraw/zinc/41/60/62/462416062.db2.gz USVGBXHNQFDINT-KRWDZBQOSA-N 2 0 349.482 3.292 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316825 462473518 /nfs/dbraw/zinc/47/35/18/462473518.db2.gz HKSZLBBBOLEEDM-RBUKOAKNSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319244 462474568 /nfs/dbraw/zinc/47/45/68/462474568.db2.gz YJDDXKIXBFEKOP-HOJAQTOUSA-N 2 0 328.500 3.303 10 0 EGAERP OC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000658317525 462475545 /nfs/dbraw/zinc/47/55/45/462475545.db2.gz MATFXTJVRYPDQZ-XEVCZEQESA-N 2 0 328.500 3.182 10 0 EGAERP C[C@H]([NH2+][C@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274823 462495379 /nfs/dbraw/zinc/49/53/79/462495379.db2.gz WUSLMVGGZSNBFJ-QFBILLFUSA-N 2 0 326.488 3.024 10 0 EGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000155108663 533839443 /nfs/dbraw/zinc/83/94/43/533839443.db2.gz XFKVMCBFUHLQRV-STQMWFEESA-N 2 0 330.303 3.280 10 0 EGAERP C[C@H](CCn1cccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000158836875 534005546 /nfs/dbraw/zinc/00/55/46/534005546.db2.gz WKVNCYCMCYORLU-LBFURVHYSA-N 2 0 338.499 3.447 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000179517172 534077001 /nfs/dbraw/zinc/07/70/01/534077001.db2.gz DZUVSYACDWIWFC-ZDUSSCGKSA-N 2 0 328.859 3.004 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000353447436 535496832 /nfs/dbraw/zinc/49/68/32/535496832.db2.gz KSWFAGQERAZXEK-UHFFFAOYSA-N 2 0 347.528 3.154 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](C)[C@H](C)C2)cc1 ZINC000265993632 535601242 /nfs/dbraw/zinc/60/12/42/535601242.db2.gz NCNAPAWLRYJWQP-APWZRJJASA-N 2 0 331.504 3.083 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)CC(C)C ZINC000354617084 535651811 /nfs/dbraw/zinc/65/18/11/535651811.db2.gz WRASSHNOCUMXCM-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H](NCc1nc(-c2ccoc2)no1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185681358 547121523 /nfs/dbraw/zinc/12/15/23/547121523.db2.gz XEAFFUPYUJDSBY-KBPBESRZSA-N 2 0 330.432 3.072 10 0 EGAERP OC[C@H]1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245655294 547266924 /nfs/dbraw/zinc/26/69/24/547266924.db2.gz DHONIHFWKCCXJL-UZFIKNKDSA-N 2 0 328.500 3.323 10 0 EGAERP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000677127921 549213858 /nfs/dbraw/zinc/21/38/58/549213858.db2.gz UBKFSEIUMWDCGG-SSZFMOIBSA-N 2 0 335.923 3.359 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)[C@H](C)C1 ZINC000678277435 549455501 /nfs/dbraw/zinc/45/55/01/549455501.db2.gz JHZDWCZTOOYBQN-BEFAXECRSA-N 2 0 342.487 3.247 10 0 EGAERP OC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000681134817 549959238 /nfs/dbraw/zinc/95/92/38/549959238.db2.gz NKXZBSJJIRRXQN-LJQANCHMSA-N 2 0 346.496 3.046 10 0 EGAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC000682697069 550131960 /nfs/dbraw/zinc/13/19/60/550131960.db2.gz UVEIJGJXASKYOG-SFHVURJKSA-N 2 0 345.531 3.278 10 0 EGAERP Cc1ccncc1C[N@H+](C)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000684425466 550329223 /nfs/dbraw/zinc/32/92/23/550329223.db2.gz QADYCSFBKILPQS-UHFFFAOYSA-N 2 0 339.483 3.497 10 0 EGAERP CC(C)C[NH+]1CCC(NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000119098880 1293254257 /nfs/dbraw/zinc/25/42/57/1293254257.db2.gz SKZYOORFYIQMLI-NRFANRHFSA-N 2 0 329.532 3.361 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000870992460 1296170096 /nfs/dbraw/zinc/17/00/96/1296170096.db2.gz LESQGFNRCGRKTP-NRFANRHFSA-N 2 0 343.515 3.120 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871358414 1296367194 /nfs/dbraw/zinc/36/71/94/1296367194.db2.gz UMUNIWBGUYRIDY-UHFFFAOYSA-N 2 0 325.541 3.268 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CCC[N@@H+]2Cc2ccccc2)CC1 ZINC000871357553 1296367220 /nfs/dbraw/zinc/36/72/20/1296367220.db2.gz NVGBSUKVDQEZOH-OBXNSHGQSA-N 2 0 343.515 3.030 10 0 EGAERP CCN1CC2(C[C@@H]1c1nnc(C)o1)CC[NH+](Cc1ccccc1)CC2 ZINC000257188612 1296583487 /nfs/dbraw/zinc/58/34/87/1296583487.db2.gz FVRCMHOLMBUGRC-GOSISDBHSA-N 2 0 340.471 3.427 10 0 EGAERP CC1([NH+]2CCCCC2)CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000872146403 1296767666 /nfs/dbraw/zinc/76/76/66/1296767666.db2.gz MYABTKFSWNCGFO-UHFFFAOYSA-N 2 0 327.516 3.173 10 0 EGAERP C[C@H](C(=O)Nc1ccccc1C(F)(F)F)[N@H+](C)CCCCCC[NH3+] ZINC000872155786 1296774375 /nfs/dbraw/zinc/77/43/75/1296774375.db2.gz ZJLZVNGTDSLWQZ-CYBMUJFWSA-N 2 0 345.409 3.483 10 0 EGAERP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)ccc1OC(=O)CC ZINC000872253950 1296853039 /nfs/dbraw/zinc/85/30/39/1296853039.db2.gz NHRSACPHBLOTHI-MRXNPFEDSA-N 2 0 348.487 3.269 10 0 EGAERP [NH3+]CCCCCC[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310146873 1297091722 /nfs/dbraw/zinc/09/17/22/1297091722.db2.gz OCQNRAVHNMEIET-UHFFFAOYSA-N 3 0 329.532 3.494 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[NH2+]CC1(C)C ZINC000311529994 1297108622 /nfs/dbraw/zinc/10/86/22/1297108622.db2.gz XTXVDMCTIJIYAU-IUODEOHRSA-N 2 0 325.294 3.358 10 0 EGAERP C[C@@H]1C[C@H](N2CC[NH2+]C[C@@H]2c2ccccc2)C[N@@H+]1Cc1ccccc1 ZINC000313385014 1297121929 /nfs/dbraw/zinc/12/19/29/1297121929.db2.gz RLEYOJAVKXHONW-BVYCBKJFSA-N 2 0 335.495 3.296 10 0 EGAERP C[C@](O)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000385512499 1297584928 /nfs/dbraw/zinc/58/49/28/1297584928.db2.gz BBIPHWHRVMVFNP-UNMCSNQZSA-N 2 0 338.495 3.396 10 0 EGAERP C[C@H]1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C[NH2+]1 ZINC000398996586 1297721514 /nfs/dbraw/zinc/72/15/14/1297721514.db2.gz PQJDOJSCALSEFF-ICSRJNTNSA-N 2 0 327.516 3.115 10 0 EGAERP c1cc(N2CC[NH+]3CCC[C@@H]3C2)ccc1N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000883346653 1302404713 /nfs/dbraw/zinc/40/47/13/1302404713.db2.gz DTLTZLFEXGMEQE-CEWLAPEOSA-N 2 0 340.515 3.010 10 0 EGAERP CCC[C@H](C)[C@H](CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886631245 1303532943 /nfs/dbraw/zinc/53/29/43/1303532943.db2.gz HZOZEYRRMVUWLL-MQBSTWLZSA-N 2 0 330.516 3.426 10 0 EGAERP OC1(CC[NH2+]C2CC3(CCC3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000895646673 1309447026 /nfs/dbraw/zinc/44/70/26/1309447026.db2.gz HVBYVIKQAUQOCR-UHFFFAOYSA-N 2 0 328.500 3.326 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1(C)C ZINC000858180175 1328705217 /nfs/dbraw/zinc/70/52/17/1328705217.db2.gz MJMWMPJNSLWUKS-ZNMIVQPWSA-N 2 0 339.524 3.141 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)C1 ZINC000858504337 1328782277 /nfs/dbraw/zinc/78/22/77/1328782277.db2.gz PQAQOWWFQWLZCT-ZYSHUDEJSA-N 2 0 334.504 3.271 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000858506161 1328783697 /nfs/dbraw/zinc/78/36/97/1328783697.db2.gz SAQMPHUXWKVMNG-AHRSYUTCSA-N 2 0 342.483 3.139 10 0 EGAERP C[NH+](C)Cc1ccc(C[N@H+](C)C[C@H]2CC[C@H](C(F)(F)F)O2)cc1 ZINC000930117722 1328789909 /nfs/dbraw/zinc/78/99/09/1328789909.db2.gz WHUACIFZNTWRMO-HZPDHXFCSA-N 2 0 330.394 3.290 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC000915130361 1319429849 /nfs/dbraw/zinc/42/98/49/1319429849.db2.gz DQSZTFUHEGDDEU-ROUUACIJSA-N 2 0 335.536 3.116 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn(CCF)c3)cc2)C1 ZINC000921528774 1322340987 /nfs/dbraw/zinc/34/09/87/1322340987.db2.gz ILTLPAQVXGFXQR-QGZVFWFLSA-N 2 0 344.478 3.374 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+]Cc2nccc3c2CCCC3)c1 ZINC000921546267 1322348273 /nfs/dbraw/zinc/34/82/73/1322348273.db2.gz JMMKXYPSQVXTQS-UHFFFAOYSA-N 2 0 339.483 3.191 10 0 EGAERP Cc1nc(C[NH2+]CCCNc2ccccn2)sc1Br ZINC000921821039 1322404662 /nfs/dbraw/zinc/40/46/62/1322404662.db2.gz FPQIYJBTJMAWTH-UHFFFAOYSA-N 2 0 341.278 3.201 10 0 EGAERP CCCC[N@H+](C[C@H]1CCC2(COC2)O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033851 1329034069 /nfs/dbraw/zinc/03/40/69/1329034069.db2.gz KSUNBXWTSQIPBV-QGZVFWFLSA-N 2 0 338.536 3.346 10 0 EGAERP CC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000923346277 1322738462 /nfs/dbraw/zinc/73/84/62/1322738462.db2.gz WMAJTMZHTZLHFR-VWNJHIHFSA-N 2 0 342.405 3.228 10 0 EGAERP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)c1C ZINC000923455373 1322754312 /nfs/dbraw/zinc/75/43/12/1322754312.db2.gz LIEQKLPMSQJFAB-GOSISDBHSA-N 2 0 344.499 3.144 10 0 EGAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@@H]1C[NH3+] ZINC000923510874 1322766087 /nfs/dbraw/zinc/76/60/87/1322766087.db2.gz XTFBPHCBPPRFOE-QFBILLFUSA-N 2 0 337.467 3.209 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552328 1322775430 /nfs/dbraw/zinc/77/54/30/1322775430.db2.gz VVPPVQYQYSRWJS-WBVHZDCISA-N 2 0 345.512 3.067 10 0 EGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)c2ccns2)CC1 ZINC000924695013 1323116034 /nfs/dbraw/zinc/11/60/34/1323116034.db2.gz QGGHDZNTIACOMB-INIZCTEOSA-N 2 0 344.528 3.131 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCc3c2nccc3Cl)cc1 ZINC000924704410 1323122518 /nfs/dbraw/zinc/12/25/18/1323122518.db2.gz OVIIUZKMHICBRE-SFHVURJKSA-N 2 0 345.874 3.453 10 0 EGAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccc(OCc2ccccn2)cc1 ZINC000924714066 1323128503 /nfs/dbraw/zinc/12/85/03/1323128503.db2.gz OZHOGLXOTYXQEO-HTZLVSCSSA-N 2 0 337.467 3.090 10 0 EGAERP c1ccc(C[C@@H](Cc2cccnc2)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000925015729 1323244869 /nfs/dbraw/zinc/24/48/69/1323244869.db2.gz KTPLDENFJNMRBO-YADHBBJMSA-N 2 0 335.495 3.309 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925131766 1325057936 /nfs/dbraw/zinc/05/79/36/1325057936.db2.gz DHQDYNREMCQCDA-IBGZPJMESA-N 2 0 344.455 3.153 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C1 ZINC000925476277 1325167069 /nfs/dbraw/zinc/16/70/69/1325167069.db2.gz HHVYOUNMUGFQOQ-OALUTQOASA-N 2 0 346.515 3.378 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C[C@@H]([NH3+])C1 ZINC000925544636 1325200947 /nfs/dbraw/zinc/20/09/47/1325200947.db2.gz BXHCRQFXQWMJKY-OLZOCXBDSA-N 2 0 331.382 3.018 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC000925546958 1325202196 /nfs/dbraw/zinc/20/21/96/1325202196.db2.gz LSMMMYZLHWQOSY-QWHCGFSZSA-N 2 0 331.382 3.018 10 0 EGAERP c1cc2c(cc1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)OCCO2 ZINC000925581633 1325219012 /nfs/dbraw/zinc/21/90/12/1325219012.db2.gz UDPYVNKROOBIQW-MOPGFXCFSA-N 2 0 344.499 3.148 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1c(F)cccc1Cl ZINC000925582435 1325221334 /nfs/dbraw/zinc/22/13/34/1325221334.db2.gz YTJAUWBRWHXANG-RRQGHBQHSA-N 2 0 340.870 3.270 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000925597849 1325226813 /nfs/dbraw/zinc/22/68/13/1325226813.db2.gz OJQYPMPXSIBDEH-GJZGRUSLSA-N 2 0 348.878 3.428 10 0 EGAERP C[C@@]1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)COc2ccccc2O1 ZINC000925721657 1325269158 /nfs/dbraw/zinc/26/91/58/1325269158.db2.gz CIUHAXTWPWHQFC-YLJYHZDGSA-N 2 0 326.440 3.286 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925773237 1325293683 /nfs/dbraw/zinc/29/36/83/1325293683.db2.gz ANMRBUQAOIPADD-DJPFJPOOSA-N 2 0 342.483 3.181 10 0 EGAERP CCOc1ccc([C@@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000925780202 1325298357 /nfs/dbraw/zinc/29/83/57/1325298357.db2.gz SBSHVMYEYJVSDR-HIFRSBDPSA-N 2 0 342.430 3.379 10 0 EGAERP COC(=O)c1cnc([C@@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)s1 ZINC000925806210 1325308370 /nfs/dbraw/zinc/30/83/70/1325308370.db2.gz BMMJBUPGBXULRE-CYBMUJFWSA-N 2 0 339.505 3.140 10 0 EGAERP COc1ccc([C@@H](C)[C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000925841597 1325323572 /nfs/dbraw/zinc/32/35/72/1325323572.db2.gz RABYZWUOPKBGQX-KQEPKPNTSA-N 2 0 332.488 3.318 10 0 EGAERP COc1cc(C)c([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1C ZINC000925846628 1325326226 /nfs/dbraw/zinc/32/62/26/1325326226.db2.gz WDZITCKSAPZFOI-GOSISDBHSA-N 2 0 333.520 3.038 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000925848311 1325328036 /nfs/dbraw/zinc/32/80/36/1325328036.db2.gz FHOQNOYFYBUXGE-OAHLLOKOSA-N 2 0 341.446 3.014 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@]24CCC[C@H]2[NH2+]CC4)C3)cc1 ZINC000925847084 1325328266 /nfs/dbraw/zinc/32/82/66/1325328266.db2.gz SIARQFARJSOOIA-QMCAAQAGSA-N 3 0 339.527 3.304 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)c2ccsc2S1 ZINC000925847529 1325328659 /nfs/dbraw/zinc/32/86/59/1325328659.db2.gz YRNHDFADAFZYHU-HOCLYGCPSA-N 2 0 339.574 3.339 10 0 EGAERP CC(C)(C)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)CC1 ZINC000925850561 1325329251 /nfs/dbraw/zinc/32/92/51/1325329251.db2.gz JINUPIIZAUHQFC-ZACQAIPSSA-N 2 0 336.520 3.256 10 0 EGAERP CC(C)(C)C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925849145 1325329262 /nfs/dbraw/zinc/32/92/62/1325329262.db2.gz AQKHXMGFCVTXHQ-MSOLQXFVSA-N 2 0 344.499 3.439 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc2ccccc21 ZINC000925853383 1325331382 /nfs/dbraw/zinc/33/13/82/1325331382.db2.gz INHWWHWQYNCNCM-DOTOQJQBSA-N 2 0 338.451 3.176 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccc(I)cc1 ZINC000925877105 1325340090 /nfs/dbraw/zinc/34/00/90/1325340090.db2.gz LIIUVZLMJLCUAW-GYSYKLTISA-N 2 0 344.240 3.069 10 0 EGAERP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925879738 1325341220 /nfs/dbraw/zinc/34/12/20/1325341220.db2.gz JLJBOAVKJOCAKR-WDMOLILDSA-N 2 0 329.257 3.236 10 0 EGAERP COC(=O)c1csc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925883137 1325342100 /nfs/dbraw/zinc/34/21/00/1325342100.db2.gz WGNNQOAIVQVFQL-NRXGSXMXSA-N 2 0 344.480 3.244 10 0 EGAERP CC[NH+](CC)CCOCC[NH2+][C@@H]1CCCc2c(Cl)ccnc21 ZINC000926150297 1325449062 /nfs/dbraw/zinc/44/90/62/1325449062.db2.gz JRNAXJRIVCMQSR-MRXNPFEDSA-N 2 0 325.884 3.060 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000926200696 1325467343 /nfs/dbraw/zinc/46/73/43/1325467343.db2.gz IUPPBMQXXDXXPN-OLZOCXBDSA-N 2 0 349.466 3.444 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CC(C)(C)C[NH+]2CCCC2)n(C)n1 ZINC000926274950 1325500212 /nfs/dbraw/zinc/50/02/12/1325500212.db2.gz MEZPVGYLDDNUNW-IEBWSBKVSA-N 2 0 332.536 3.151 10 0 EGAERP C[C@@H]1[C@@H](NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000926337337 1325519984 /nfs/dbraw/zinc/51/99/84/1325519984.db2.gz NZKICEXSAFYFKO-GHOZHQTGSA-N 2 0 327.516 3.256 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000926402087 1325541487 /nfs/dbraw/zinc/54/14/87/1325541487.db2.gz RZBPJIYWSKGWFE-PMACEKPBSA-N 2 0 332.488 3.208 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(C)(C)CO ZINC000926727585 1327687112 /nfs/dbraw/zinc/68/71/12/1327687112.db2.gz VJUJWYLVEBDXOH-MJGOQNOKSA-N 2 0 330.516 3.285 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CCC(C)([NH+](C)C)CC2)n(C)n1 ZINC000926794665 1327720868 /nfs/dbraw/zinc/72/08/68/1327720868.db2.gz AJGQBFDNLIKCBX-BXXUTWAOSA-N 2 0 332.536 3.292 10 0 EGAERP O=C(OCC12CCC[NH+](CCC1)C2)c1ccc(C[NH+]2CCCC2)cc1 ZINC000861360884 1329412681 /nfs/dbraw/zinc/41/26/81/1329412681.db2.gz KPRBJWUGLSRENS-UHFFFAOYSA-N 2 0 342.483 3.315 10 0 EGAERP C[C@H](C[C@@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000862398277 1329482937 /nfs/dbraw/zinc/48/29/37/1329482937.db2.gz CXXLSUOECLNWNL-RBSFLKMASA-N 2 0 327.513 3.141 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[C@H](C)[NH2+]C2)ccc1OC ZINC000863547674 1329562314 /nfs/dbraw/zinc/56/23/14/1329562314.db2.gz RJFOAMPXPVGTBT-BXWFABGCSA-N 2 0 333.520 3.328 10 0 EGAERP FC(F)n1cc(C[NH2+][C@@H]2CCOC[C@@H]2[C@H]2CCC[NH2+]2)c2ccccc21 ZINC000863545076 1329562592 /nfs/dbraw/zinc/56/25/92/1329562592.db2.gz GSMBUCWHVWPWON-BRWVUGGUSA-N 2 0 349.425 3.283 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC[C@H]1CCSC1 ZINC000865654694 1329725642 /nfs/dbraw/zinc/72/56/42/1329725642.db2.gz RSBFJHCTBWGFPJ-SFHVURJKSA-N 2 0 334.529 3.394 10 0 EGAERP Fc1ccc(CC[NH+]2CCC(NCc3ccnc(F)c3)CC2)cc1 ZINC000865722617 1329732746 /nfs/dbraw/zinc/73/27/46/1329732746.db2.gz MFKUEERHZGKWBR-UHFFFAOYSA-N 2 0 331.410 3.157 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000866266177 1330087385 /nfs/dbraw/zinc/08/73/85/1330087385.db2.gz XSFPPJGINSOROU-YWMUFLPLSA-N 2 0 345.506 3.207 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCc2nc(-c3cccs3)no2)C1 ZINC000866704639 1330143199 /nfs/dbraw/zinc/14/31/99/1330143199.db2.gz PEUFPZJAADPEGI-SFHVURJKSA-N 2 0 348.516 3.428 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001323000819 1387263345 /nfs/dbraw/zinc/26/33/45/1387263345.db2.gz QWZRULJZFDZLMT-QUCCMNQESA-N 2 0 347.547 3.092 10 0 EGAERP Cc1nccn1CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@@H+](C(C)C)C1 ZINC001323641433 1387415665 /nfs/dbraw/zinc/41/56/65/1387415665.db2.gz IZDMKPLXMSCFOM-RBUKOAKNSA-N 2 0 346.519 3.083 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1CC[NH+](C)CC1 ZINC001323659660 1387418342 /nfs/dbraw/zinc/41/83/42/1387418342.db2.gz DRBILMPYPZGBBP-YQQQUEKLSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001323859478 1387478811 /nfs/dbraw/zinc/47/88/11/1387478811.db2.gz WYIHKHGQJFTTDX-RMUOZIPVSA-N 2 0 347.547 3.142 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CCCC2CCCC2)CC1 ZINC001324251324 1387568871 /nfs/dbraw/zinc/56/88/71/1387568871.db2.gz SRWBSVDNGGILQH-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001324556622 1387672276 /nfs/dbraw/zinc/67/22/76/1387672276.db2.gz JNDZPWFEPCRMLN-OAQYLSRUSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001324658371 1387720559 /nfs/dbraw/zinc/72/05/59/1387720559.db2.gz VIFPYXFPMNZLJF-NQIIRXRSSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001324904912 1387814298 /nfs/dbraw/zinc/81/42/98/1387814298.db2.gz OCTHXLGEEPPBOP-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001324935519 1387832293 /nfs/dbraw/zinc/83/22/93/1387832293.db2.gz FQIYGFIJLJPDMV-UYAOXDASSA-N 2 0 335.536 3.044 10 0 EGAERP CN1C[C@]2(C)C[N@H+](CCc3ccc(OC(F)(F)F)cc3)C[C@]2(C)C1 ZINC001196632445 1368651907 /nfs/dbraw/zinc/65/19/07/1368651907.db2.gz RITUCTFLIBGOBV-CALCHBBNSA-N 2 0 342.405 3.401 10 0 EGAERP CC(C)N(C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1)C1CCCC1 ZINC001197285064 1368780149 /nfs/dbraw/zinc/78/01/49/1368780149.db2.gz MIYOUXKFDIOAOS-UHFFFAOYSA-N 2 0 337.552 3.364 10 0 EGAERP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001325633526 1388019309 /nfs/dbraw/zinc/01/93/09/1388019309.db2.gz ZWPNRGVOYHGFBF-ITXGPMISSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001325665204 1388024742 /nfs/dbraw/zinc/02/47/42/1388024742.db2.gz JRGKYLBRWLSDQW-LWYYNNOASA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@]2(C)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001118805347 1371233126 /nfs/dbraw/zinc/23/31/26/1371233126.db2.gz YFYNNNITAQLIKX-CTNGQTDRSA-N 3 0 329.532 3.361 10 0 EGAERP C[C@@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001118852194 1371240244 /nfs/dbraw/zinc/24/02/44/1371240244.db2.gz IQMKGUSNEBFEJM-GJZGRUSLSA-N 2 0 327.513 3.094 10 0 EGAERP COc1cc(Br)cc(C[NH2+]C2CCC(C[NH3+])CC2)c1 ZINC001119700630 1371390271 /nfs/dbraw/zinc/39/02/71/1371390271.db2.gz JGCNWFLSYNCXGE-UHFFFAOYSA-N 2 0 327.266 3.065 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326479568 1388208599 /nfs/dbraw/zinc/20/85/99/1388208599.db2.gz IOBRJUOIYACXGF-YWFTZVROSA-N 2 0 343.515 3.404 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326481555 1388210097 /nfs/dbraw/zinc/21/00/97/1388210097.db2.gz RKYJDPONXFYZBY-VQIMIIECSA-N 2 0 331.504 3.094 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc([C@@H](C)[NH2+]CC2CCC2)cc1 ZINC001326491059 1388216360 /nfs/dbraw/zinc/21/63/60/1388216360.db2.gz WVNYBRDMUFQJBV-MRXNPFEDSA-N 2 0 331.504 3.094 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001326912937 1388348052 /nfs/dbraw/zinc/34/80/52/1388348052.db2.gz DSTJBMZJYFDAAS-VGRIIWOTSA-N 2 0 335.536 3.092 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001264121947 1377139999 /nfs/dbraw/zinc/13/99/99/1377139999.db2.gz CSXIQKPECZFGKQ-MSOLQXFVSA-N 2 0 325.541 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1F ZINC001265688059 1377159839 /nfs/dbraw/zinc/15/98/39/1377159839.db2.gz LQQVIZHGDHAKNG-SFHVURJKSA-N 2 0 349.494 3.028 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CCC1CCCCC1)C1CC1 ZINC001266145379 1377206709 /nfs/dbraw/zinc/20/67/09/1377206709.db2.gz RVECKPAXTOSXKE-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001266144671 1377206778 /nfs/dbraw/zinc/20/67/78/1377206778.db2.gz XJDMINBKSOJHNE-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327299264 1388490267 /nfs/dbraw/zinc/49/02/67/1388490267.db2.gz LYOANKPHEVSJAH-PMACEKPBSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001266632657 1377353129 /nfs/dbraw/zinc/35/31/29/1377353129.db2.gz MTSOLFJERSTHPK-WGSAOQKQSA-N 2 0 345.531 3.081 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001266734959 1377370257 /nfs/dbraw/zinc/37/02/57/1377370257.db2.gz DMRNJWVVYSZHDA-ZCNNSNEGSA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001266853815 1377395109 /nfs/dbraw/zinc/39/51/09/1377395109.db2.gz UJTUVOHBFKYLOQ-SFFCAUCYSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CCC(=O)NC1CCC([NH2+]CCCF)CC1)C1CCCCC1 ZINC001266913827 1377402382 /nfs/dbraw/zinc/40/23/82/1377402382.db2.gz WCAJXOFGDVCNSR-UHFFFAOYSA-N 2 0 341.515 3.018 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267070833 1377410076 /nfs/dbraw/zinc/41/00/76/1377410076.db2.gz QBOUPPTZBJPTED-KJBZUCPPSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001269178048 1377542205 /nfs/dbraw/zinc/54/22/05/1377542205.db2.gz XLOARSGYBBQLBW-CQQBRXBZSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269740499 1377568607 /nfs/dbraw/zinc/56/86/07/1377568607.db2.gz HAXMIWGQTMHWJW-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001269740512 1377568769 /nfs/dbraw/zinc/56/87/69/1377568769.db2.gz GDAMHCXYKBATIG-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001270966219 1377619699 /nfs/dbraw/zinc/61/96/99/1377619699.db2.gz WBADXIRPMGXINU-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001327449002 1388522446 /nfs/dbraw/zinc/52/24/46/1388522446.db2.gz IINJADXIZJLFAR-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001279585439 1378314131 /nfs/dbraw/zinc/31/41/31/1378314131.db2.gz BLYQETHBEFUXEK-PMACEKPBSA-N 2 0 347.547 3.118 10 0 EGAERP C[C@@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001141750605 1378370969 /nfs/dbraw/zinc/37/09/69/1378370969.db2.gz PMSFJRLHZGHNKE-QGZVFWFLSA-N 2 0 347.503 3.117 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)Nc2ccc(CC[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC001142007222 1378404214 /nfs/dbraw/zinc/40/42/14/1378404214.db2.gz XHKOBPXSROTLPG-VQTJNVASSA-N 2 0 343.515 3.384 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](CC)CC=C(C)C)CC1 ZINC001281834197 1378455271 /nfs/dbraw/zinc/45/52/71/1378455271.db2.gz WSSOAQRQHODHSS-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001327532409 1388553472 /nfs/dbraw/zinc/55/34/72/1388553472.db2.gz XKKAUYQOWQKEOV-NRFANRHFSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1CCC([NH2+]CC2CC2)CC1)[NH+]1CCCCC1 ZINC001282275238 1378494015 /nfs/dbraw/zinc/49/40/15/1378494015.db2.gz VTVWDHQDRRLDLH-SOAGJPPSSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1ccccc1F)[NH+](C)C ZINC001282666872 1378538270 /nfs/dbraw/zinc/53/82/70/1378538270.db2.gz TYMFDOMNLILFTC-IEBWSBKVSA-N 2 0 349.494 3.027 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001282677662 1378547503 /nfs/dbraw/zinc/54/75/03/1378547503.db2.gz DSQANMGYKFMYDF-AJEASFTHSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001282677959 1378549568 /nfs/dbraw/zinc/54/95/68/1378549568.db2.gz LBCCMLHADFDDDK-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001282682232 1378554960 /nfs/dbraw/zinc/55/49/60/1378554960.db2.gz ODBDBYHHJQOWOK-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001282812523 1378623193 /nfs/dbraw/zinc/62/31/93/1378623193.db2.gz ORSCNIQQKWUSPH-SFHVURJKSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001282977748 1378695090 /nfs/dbraw/zinc/69/50/90/1378695090.db2.gz MFWZEVPYJSOMET-UHFFFAOYSA-N 2 0 349.563 3.367 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001283052273 1378717933 /nfs/dbraw/zinc/71/79/33/1378717933.db2.gz NLHGBJCASGTLQF-CGBFIWBNSA-N 2 0 345.531 3.189 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001283233283 1378768038 /nfs/dbraw/zinc/76/80/38/1378768038.db2.gz RUXQHGOFBGADLO-HOTGVXAUSA-N 2 0 349.494 3.103 10 0 EGAERP Cc1cccc(C)c1C[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001283344305 1378829154 /nfs/dbraw/zinc/82/91/54/1378829154.db2.gz PPAHLLOSEWRBCC-UHFFFAOYSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)c1ccccc1 ZINC001283423914 1378913253 /nfs/dbraw/zinc/91/32/53/1378913253.db2.gz HLMUVOHWHHPPTB-WOJBJXKFSA-N 2 0 343.515 3.274 10 0 EGAERP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)[C@H]3CCC[NH+]3C)cc2C1 ZINC001327682391 1388578193 /nfs/dbraw/zinc/57/81/93/1388578193.db2.gz JACQDZIWGAGALN-HXUWFJFHSA-N 2 0 343.515 3.149 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001283511798 1378995334 /nfs/dbraw/zinc/99/53/34/1378995334.db2.gz XEEDPHRIBLUWII-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001284019299 1379367929 /nfs/dbraw/zinc/36/79/29/1379367929.db2.gz XQGXAXVGQNFDOU-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001284097118 1379464386 /nfs/dbraw/zinc/46/43/86/1379464386.db2.gz PZEYNBLGATVEBU-SLFFLAALSA-N 2 0 349.563 3.124 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H]([NH2+]CC=C(C)C)C2)o1 ZINC001327958078 1388633459 /nfs/dbraw/zinc/63/34/59/1388633459.db2.gz KHOGBCPHFQCAAU-FUHWJXTLSA-N 2 0 347.503 3.138 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001284554054 1379962946 /nfs/dbraw/zinc/96/29/46/1379962946.db2.gz YFPUHUILBQFVBE-SFHVURJKSA-N 2 0 339.568 3.322 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001284720425 1380140154 /nfs/dbraw/zinc/14/01/54/1380140154.db2.gz ZPGLHSWVWVSYTA-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097979 1388669824 /nfs/dbraw/zinc/66/98/24/1388669824.db2.gz KFNWHQAPNXVIDV-PXEQJPNCSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001328577443 1388780092 /nfs/dbraw/zinc/78/00/92/1388780092.db2.gz GNDUIGYLRNMBTO-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](CC(=O)N1CCC[C@@H]1C[N@H+](C)CCC1=CCCCC1)C1CCC1 ZINC001328734720 1388833001 /nfs/dbraw/zinc/83/30/01/1388833001.db2.gz ZOOGBLXMMOVYQV-HXUWFJFHSA-N 2 0 347.547 3.284 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001297273574 1383136108 /nfs/dbraw/zinc/13/61/08/1383136108.db2.gz MMNCSUGFICBMGH-DOTOQJQBSA-N 2 0 338.455 3.306 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001316615893 1384483165 /nfs/dbraw/zinc/48/31/65/1384483165.db2.gz QLXMDHQYQBAWDX-XWTMOSNGSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C(C)(C)[C@H]21 ZINC001316721136 1384540911 /nfs/dbraw/zinc/54/09/11/1384540911.db2.gz LUORLUNXJRRBPH-KURKYZTESA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001316832662 1384624620 /nfs/dbraw/zinc/62/46/20/1384624620.db2.gz MEMUTTQMHSRZRW-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)[C@@H](C)c1ccc(Cl)cc1 ZINC001316870429 1384655537 /nfs/dbraw/zinc/65/55/37/1384655537.db2.gz OOGBEWPQZBJGQA-HNNXBMFYSA-N 2 0 339.911 3.179 10 0 EGAERP CCCN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](C(C)C)CC1 ZINC001317007088 1384769703 /nfs/dbraw/zinc/76/97/03/1384769703.db2.gz ZWPSWTKLOYGIIP-UHFFFAOYSA-N 2 0 337.552 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001317117461 1384877284 /nfs/dbraw/zinc/87/72/84/1384877284.db2.gz VTCNCMSWNYMBAQ-OKZBNKHCSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317140683 1384907804 /nfs/dbraw/zinc/90/78/04/1384907804.db2.gz RSQLGBTUZNARDS-KPDZFXRVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317141117 1384908573 /nfs/dbraw/zinc/90/85/73/1384908573.db2.gz XGHLKDDWXCQAHQ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001317183229 1384958694 /nfs/dbraw/zinc/95/86/94/1384958694.db2.gz NIKRRERGGXWDOZ-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001317191173 1384965339 /nfs/dbraw/zinc/96/53/39/1384965339.db2.gz BNXHNOVFVYWOTQ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317191670 1384965939 /nfs/dbraw/zinc/96/59/39/1384965939.db2.gz CHUUOEQYHAGCBM-FQEVSTJZSA-N 2 0 345.531 3.379 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCCF)c1ccccc1 ZINC001317192520 1384966791 /nfs/dbraw/zinc/96/67/91/1384966791.db2.gz FLJKOHIBFCGTPE-OALUTQOASA-N 2 0 349.494 3.010 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001317195232 1384969557 /nfs/dbraw/zinc/96/95/57/1384969557.db2.gz YOTRIQRMNPMLFN-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001317195364 1384969681 /nfs/dbraw/zinc/96/96/81/1384969681.db2.gz JNFSHKZWXRQGKI-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@@H](C[NH2+]CC=C(C)C)C2)o1 ZINC001317354643 1385101862 /nfs/dbraw/zinc/10/18/62/1385101862.db2.gz JVDOCJFVZBOTDF-KRWDZBQOSA-N 2 0 347.503 3.139 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H](C)c1ccccc1Cl ZINC001317493085 1385194699 /nfs/dbraw/zinc/19/46/99/1385194699.db2.gz SCDHRMLKSOHWHO-HNNXBMFYSA-N 2 0 339.911 3.179 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001317506535 1385214118 /nfs/dbraw/zinc/21/41/18/1385214118.db2.gz BLLSBPBYMBJMDR-RBUKOAKNSA-N 2 0 345.531 3.287 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001317547021 1385297176 /nfs/dbraw/zinc/29/71/76/1385297176.db2.gz UFTRKBYXBVGECY-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP C[C@@H]1C[N@H+](Cc2c[nH]c(=O)c3ccccc23)CCN1c1cc[nH+]cc1 ZINC001175774515 1385400652 /nfs/dbraw/zinc/40/06/52/1385400652.db2.gz FVSZSSUTDLNERX-OAHLLOKOSA-N 2 0 334.423 3.046 10 0 EGAERP C[C@@H]1C[N@H+](CCOc2ccc(F)c(Cl)c2)CCN1c1cc[nH+]cc1 ZINC001175776319 1385401293 /nfs/dbraw/zinc/40/12/93/1385401293.db2.gz XIIXJVJMWDFDBI-CQSZACIVSA-N 2 0 349.837 3.464 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@@H](C)c2cccc(C)c2)C1 ZINC001317763534 1385454287 /nfs/dbraw/zinc/45/42/87/1385454287.db2.gz OYEOFEASMCMSNJ-ICSRJNTNSA-N 2 0 345.531 3.321 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317796324 1385489038 /nfs/dbraw/zinc/48/90/38/1385489038.db2.gz WJOBOSCJSSMQFI-IBGZPJMESA-N 2 0 349.563 3.293 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317987367 1385600870 /nfs/dbraw/zinc/60/08/70/1385600870.db2.gz KFCQBOCXIFNBLD-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1CCCC1 ZINC001318555411 1385753948 /nfs/dbraw/zinc/75/39/48/1385753948.db2.gz FQMGLABHTLMOSC-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCC1 ZINC001318669664 1385828152 /nfs/dbraw/zinc/82/81/52/1385828152.db2.gz FGLVTQMOFBMMDK-UHFFFAOYSA-N 2 0 335.536 3.237 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC(CC[NH2+]CC3=CCCCC3)CC2)C1 ZINC001318928284 1385884430 /nfs/dbraw/zinc/88/44/30/1385884430.db2.gz HLZYAOFVAJLVFD-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@H](C(=O)NCc1ccc(C[NH2+]CC2=CCCCC2)cc1)[NH+](C)C ZINC001318995309 1385915432 /nfs/dbraw/zinc/91/54/32/1385915432.db2.gz AHZHAIMASRAMHN-HXUWFJFHSA-N 2 0 343.515 3.233 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001319080871 1385954799 /nfs/dbraw/zinc/95/47/99/1385954799.db2.gz QCKRWLBAYXJEAX-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCC(C)CC1)CC2 ZINC001319144972 1385977942 /nfs/dbraw/zinc/97/79/42/1385977942.db2.gz MFFUKGCIKCWKSN-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001319197937 1386002616 /nfs/dbraw/zinc/00/26/16/1386002616.db2.gz QVGCIADAMRXSQI-XLIONFOSSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1 ZINC001319375067 1386088574 /nfs/dbraw/zinc/08/85/74/1386088574.db2.gz QYVAABLBEQPROU-KRWDZBQOSA-N 2 0 331.504 3.026 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC2 ZINC001319403110 1386105157 /nfs/dbraw/zinc/10/51/57/1386105157.db2.gz QPRMZWHVBVBHLD-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001319533916 1386165566 /nfs/dbraw/zinc/16/55/66/1386165566.db2.gz LGHSKAJULPSANX-KRWDZBQOSA-N 2 0 337.552 3.291 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001319558982 1386177963 /nfs/dbraw/zinc/17/79/63/1386177963.db2.gz CHYXEVVHQYNMQQ-OXQOHEQNSA-N 2 0 341.499 3.117 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319591191 1386193507 /nfs/dbraw/zinc/19/35/07/1386193507.db2.gz ZLIPTIFBLASXOX-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001319591997 1386194121 /nfs/dbraw/zinc/19/41/21/1386194121.db2.gz GDLDYTIKEGEXDU-QGZVFWFLSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001319592362 1386194753 /nfs/dbraw/zinc/19/47/53/1386194753.db2.gz JQFCXXNBUBGHQL-QGZVFWFLSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319794526 1386300011 /nfs/dbraw/zinc/30/00/11/1386300011.db2.gz YNXUTKZYAIZVAU-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001319890045 1386367442 /nfs/dbraw/zinc/36/74/42/1386367442.db2.gz IPJBBRLCCVDQED-RTBURBONSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C ZINC001319915850 1386387780 /nfs/dbraw/zinc/38/77/80/1386387780.db2.gz CAOIPUBZFTUNJX-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001319936174 1386402523 /nfs/dbraw/zinc/40/25/23/1386402523.db2.gz NRSFKONYZIZKEP-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@H]1CC[C@H](C2CC2)O1 ZINC001179690476 1386555303 /nfs/dbraw/zinc/55/53/03/1386555303.db2.gz HTZWUKNJUPGIBP-NHCUHLMSSA-N 2 0 344.499 3.208 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320463010 1386615289 /nfs/dbraw/zinc/61/52/89/1386615289.db2.gz CUJDQWPAAWFESP-JXFKEZNVSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H](CC[NH2+]CC/C=C/c1ccccc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320463394 1386616486 /nfs/dbraw/zinc/61/64/86/1386616486.db2.gz GXHMSNVQKLDXLS-BYKBYQBHSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[NH2+]C[C@]1(NC(=O)CCCC[NH+]2CCCC2)CCCC[C@H]1C ZINC001698659499 1406310212 /nfs/dbraw/zinc/31/02/12/1406310212.db2.gz GXCWXJZPCLSAHZ-UYAOXDASSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320891765 1386750152 /nfs/dbraw/zinc/75/01/52/1386750152.db2.gz RBPZJLVQQXBTRW-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001698676963 1406325197 /nfs/dbraw/zinc/32/51/97/1406325197.db2.gz LLFQFXZFFRAQSH-GOSISDBHSA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)(C)CC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001698696562 1406340053 /nfs/dbraw/zinc/34/00/53/1406340053.db2.gz LQETWOFMMVIGRE-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2C)C1 ZINC001322231603 1387112881 /nfs/dbraw/zinc/11/28/81/1387112881.db2.gz SZSFWIGAJPIMPK-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001329241373 1389031690 /nfs/dbraw/zinc/03/16/90/1389031690.db2.gz ZLUSTRPVNFRYBD-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001329341555 1389068203 /nfs/dbraw/zinc/06/82/03/1389068203.db2.gz DBIJJAGWGMCUDO-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001329450325 1389114808 /nfs/dbraw/zinc/11/48/08/1389114808.db2.gz MCSSRNIKUWTBAC-CQSZACIVSA-N 2 0 337.533 3.050 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329500243 1389132191 /nfs/dbraw/zinc/13/21/91/1389132191.db2.gz FQIKNMBWTGMXDU-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001698717612 1406361883 /nfs/dbraw/zinc/36/18/83/1406361883.db2.gz OMBNCHMVMLHNHC-QAQDUYKDSA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC[C@H](C)F)CCCCC1 ZINC001329819497 1389231000 /nfs/dbraw/zinc/23/10/00/1389231000.db2.gz YOPYWRUNJBHPFU-DLBZAZTESA-N 2 0 341.515 3.016 10 0 EGAERP CCCC[C@@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001329900713 1389250967 /nfs/dbraw/zinc/25/09/67/1389250967.db2.gz LBSSYMFELGFNLV-AZUAARDMSA-N 2 0 343.515 3.034 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001330211587 1389342600 /nfs/dbraw/zinc/34/26/00/1389342600.db2.gz VBIZYRXWDLIFAK-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001330473924 1389425553 /nfs/dbraw/zinc/42/55/53/1389425553.db2.gz BTDCDNJMJRTSNW-UFYCRDLUSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001698731990 1406381033 /nfs/dbraw/zinc/38/10/33/1406381033.db2.gz ABSNRSJCSMYYOG-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001331176353 1389643239 /nfs/dbraw/zinc/64/32/39/1389643239.db2.gz JXUIUUIHKNJTPZ-HXUWFJFHSA-N 2 0 345.531 3.354 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001331927585 1389914750 /nfs/dbraw/zinc/91/47/50/1389914750.db2.gz ZBQWHJVDYXTUEP-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CCCCCC1 ZINC001332202355 1390039124 /nfs/dbraw/zinc/03/91/24/1390039124.db2.gz YHXAGWPNWSARTQ-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@H]1C ZINC001332221652 1390054851 /nfs/dbraw/zinc/05/48/51/1390054851.db2.gz ZNBRWPPMBSDVHA-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001332438373 1390117749 /nfs/dbraw/zinc/11/77/49/1390117749.db2.gz RTYARXFMJOYWFB-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001332900245 1390213038 /nfs/dbraw/zinc/21/30/38/1390213038.db2.gz TXRSSMVLWVOELO-IRXDYDNUSA-N 2 0 325.541 3.026 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001332992504 1390232022 /nfs/dbraw/zinc/23/20/22/1390232022.db2.gz OSUXEPKXVXVCMQ-INIZCTEOSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](NC(=O)CCCC[NH+](C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001333006034 1390235528 /nfs/dbraw/zinc/23/55/28/1390235528.db2.gz ZJWPSQNWQJPKBY-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)C1CC([NH2+]CC2CCCC2)C1 ZINC001333152734 1390257240 /nfs/dbraw/zinc/25/72/40/1390257240.db2.gz FTIARCQBOOXDLY-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798525 1406470359 /nfs/dbraw/zinc/47/03/59/1406470359.db2.gz QIJUHGRAADRILR-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001698804116 1406483378 /nfs/dbraw/zinc/48/33/78/1406483378.db2.gz SFTUSAAKXBWPGP-IAGOWNOFSA-N 2 0 341.515 3.016 10 0 EGAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001349869841 1391378391 /nfs/dbraw/zinc/37/83/91/1391378391.db2.gz PEYAGDUXULSUGN-ICSRJNTNSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)n1ncc2c1[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCC2 ZINC001350135753 1391419141 /nfs/dbraw/zinc/41/91/41/1391419141.db2.gz JBGYSFZPCQMHCM-GOSISDBHSA-N 2 0 336.443 3.212 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1)c1ccccc1 ZINC001488844814 1391734074 /nfs/dbraw/zinc/73/40/74/1391734074.db2.gz XUPBSBSJHCKLIV-ZHALLVOQSA-N 2 0 343.515 3.106 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698829860 1406523486 /nfs/dbraw/zinc/52/34/86/1406523486.db2.gz VCCYBTJSPMCQDM-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698829861 1406523545 /nfs/dbraw/zinc/52/35/45/1406523545.db2.gz VCCYBTJSPMCQDM-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001698845569 1406546439 /nfs/dbraw/zinc/54/64/39/1406546439.db2.gz LEKJTCLWNXWTPL-ROUUACIJSA-N 2 0 345.531 3.088 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001479408443 1392237075 /nfs/dbraw/zinc/23/70/75/1392237075.db2.gz LIGIIRCEEGTGJA-GUDVDZBRSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001479525751 1392269095 /nfs/dbraw/zinc/26/90/95/1392269095.db2.gz UGPCJENQWCINJT-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC ZINC001479636549 1392298932 /nfs/dbraw/zinc/29/89/32/1392298932.db2.gz CWIIXCJUMXGYQD-XUVXKRRUSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001479687638 1392319756 /nfs/dbraw/zinc/31/97/56/1392319756.db2.gz KNYPKBLJPPDSQT-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001479694900 1392325385 /nfs/dbraw/zinc/32/53/85/1392325385.db2.gz FSBMIEHYEWGLSX-LJQANCHMSA-N 2 0 337.552 3.413 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001479695686 1392326031 /nfs/dbraw/zinc/32/60/31/1392326031.db2.gz ZHRSFWLLSHLTFN-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1C[NH+](C)C[C@@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001479739633 1392353060 /nfs/dbraw/zinc/35/30/60/1392353060.db2.gz GANWULLBEDNPGF-FQEVSTJZSA-N 2 0 345.531 3.148 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479745961 1392362038 /nfs/dbraw/zinc/36/20/38/1392362038.db2.gz QCLDPEFVAKSODE-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479747250 1392364471 /nfs/dbraw/zinc/36/44/71/1392364471.db2.gz YUGLAZIIFRFLJZ-ZGKJDNBHSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001479909326 1392477122 /nfs/dbraw/zinc/47/71/22/1392477122.db2.gz ZPGOEGRMKXSQFH-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001479971807 1392508191 /nfs/dbraw/zinc/50/81/91/1392508191.db2.gz FFCPNIWCZHKDTG-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085156 1392574917 /nfs/dbraw/zinc/57/49/17/1392574917.db2.gz QBDKFABXYDDITM-DLBZAZTESA-N 2 0 349.494 3.009 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[N@H+](C)CCCC2CCCC2)C1 ZINC001480086446 1392575494 /nfs/dbraw/zinc/57/54/94/1392575494.db2.gz XXXLNEKITNFFFB-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001480255209 1392640447 /nfs/dbraw/zinc/64/04/47/1392640447.db2.gz RMFIMIADDROEHM-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001480272718 1392656127 /nfs/dbraw/zinc/65/61/27/1392656127.db2.gz YLOPOJFYKGNFLS-QUCCMNQESA-N 2 0 345.531 3.306 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480276492 1392656971 /nfs/dbraw/zinc/65/69/71/1392656971.db2.gz MAIYCUMUGRPWSP-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480373543 1392716220 /nfs/dbraw/zinc/71/62/20/1392716220.db2.gz QROZNDLMBLRAKW-JGAFRWBPSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)[C@H](C(=O)NC1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001480413078 1392748372 /nfs/dbraw/zinc/74/83/72/1392748372.db2.gz RNQVYPHGTJGMMP-SOAGJPPSSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001480725972 1392886618 /nfs/dbraw/zinc/88/66/18/1392886618.db2.gz YWTYLDREMMUOIH-FGTMMUONSA-N 2 0 337.552 3.076 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001480772995 1392924508 /nfs/dbraw/zinc/92/45/08/1392924508.db2.gz SFCPLXDINTTWLS-FXAWDEMLSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480774123 1392925282 /nfs/dbraw/zinc/92/52/82/1392925282.db2.gz ZCRRYFYDPGDUKV-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CCC1=CCCCC1)CC(C)(C)C ZINC001481059958 1393109482 /nfs/dbraw/zinc/10/94/82/1393109482.db2.gz WURLWKCSSDVKBL-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H](C)c1ccccc1 ZINC001481136423 1393130288 /nfs/dbraw/zinc/13/02/88/1393130288.db2.gz CSXCWUYHFBCXIX-YSIASYRMSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001481239603 1393152645 /nfs/dbraw/zinc/15/26/45/1393152645.db2.gz UFIRWFUZAVCPDW-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001481265767 1393155257 /nfs/dbraw/zinc/15/52/57/1393155257.db2.gz VHOXUUWFCPUVDY-UHFFFAOYSA-N 2 0 345.531 3.232 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](CC)CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001490355791 1393178852 /nfs/dbraw/zinc/17/88/52/1393178852.db2.gz RCZIFTGVUKFFHT-LJQANCHMSA-N 2 0 343.515 3.062 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001698916311 1406650281 /nfs/dbraw/zinc/65/02/81/1406650281.db2.gz INZCVOFZXFTEAY-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001481373546 1394215189 /nfs/dbraw/zinc/21/51/89/1394215189.db2.gz ZDNLHRRROQMESB-FQEVSTJZSA-N 2 0 343.515 3.110 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481408932 1394266332 /nfs/dbraw/zinc/26/63/32/1394266332.db2.gz VIEZPANURKTJRJ-IEBWSBKVSA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001490763192 1394324909 /nfs/dbraw/zinc/32/49/09/1394324909.db2.gz NCWCPOLZEJICKP-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500985 1394347203 /nfs/dbraw/zinc/34/72/03/1394347203.db2.gz VLDAIUGZEJSFAO-RLWBPELLSA-N 2 0 349.563 3.386 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@H](C[NH+](C)CC(C)C)C1)c1ccccc1 ZINC001481505088 1394351529 /nfs/dbraw/zinc/35/15/29/1394351529.db2.gz QEWQCNBLJAHCFH-UYAOXDASSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001490959843 1394384586 /nfs/dbraw/zinc/38/45/86/1394384586.db2.gz HVIXICJDKOPIKI-IHPCNDPISA-N 2 0 343.515 3.251 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001490980749 1394390566 /nfs/dbraw/zinc/39/05/66/1394390566.db2.gz GETXTKGWGFCOQU-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001491054755 1394413917 /nfs/dbraw/zinc/41/39/17/1394413917.db2.gz DHVCYLJPWHHPRF-OWCVQMPJSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001481669590 1394439297 /nfs/dbraw/zinc/43/92/97/1394439297.db2.gz RGDHRIGQDKWBRX-FQEVSTJZSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001491189602 1394463969 /nfs/dbraw/zinc/46/39/69/1394463969.db2.gz COXZLRLNVRLJFJ-OALUTQOASA-N 2 0 345.531 3.224 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001491189604 1394464062 /nfs/dbraw/zinc/46/40/62/1394464062.db2.gz COXZLRLNVRLJFJ-RBUKOAKNSA-N 2 0 345.531 3.224 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481727808 1394478699 /nfs/dbraw/zinc/47/86/99/1394478699.db2.gz SVBWMUNBINWTAJ-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001481959716 1394620306 /nfs/dbraw/zinc/62/03/06/1394620306.db2.gz ATPHKNQIGOFYMX-BLCVROGKSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001482059064 1394720266 /nfs/dbraw/zinc/72/02/66/1394720266.db2.gz ZYCWEOCYZPOTKI-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001482222100 1394815412 /nfs/dbraw/zinc/81/54/12/1394815412.db2.gz VXCWFDHWJZXZDQ-IBGZPJMESA-N 2 0 347.547 3.378 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001482231156 1394825408 /nfs/dbraw/zinc/82/54/08/1394825408.db2.gz MOVIYMIJSDGNSS-GOSISDBHSA-N 2 0 337.552 3.460 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC2CCC(C)CC2)CCCC1 ZINC001482238127 1394834850 /nfs/dbraw/zinc/83/48/50/1394834850.db2.gz HISVFKDZLHBKCB-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001482243751 1394841006 /nfs/dbraw/zinc/84/10/06/1394841006.db2.gz JQINHZUSPITCRN-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482319257 1394889791 /nfs/dbraw/zinc/88/97/91/1394889791.db2.gz ZQTBJSFFHNDRQT-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001482456204 1395014604 /nfs/dbraw/zinc/01/46/04/1395014604.db2.gz PLHHXNBJRCXUQF-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001482954491 1395098196 /nfs/dbraw/zinc/09/81/96/1395098196.db2.gz GNRWKVWSRPZELA-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001483845716 1395111405 /nfs/dbraw/zinc/11/14/05/1395111405.db2.gz AXEXLRIHOIVWHL-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001483941232 1395154190 /nfs/dbraw/zinc/15/41/90/1395154190.db2.gz QEEQNUMIQHQMFK-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483959206 1395163081 /nfs/dbraw/zinc/16/30/81/1395163081.db2.gz OAYKWHPJRLUCNB-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001484046843 1395211091 /nfs/dbraw/zinc/21/10/91/1395211091.db2.gz AIQJWRHGNZSNSW-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484065254 1395227831 /nfs/dbraw/zinc/22/78/31/1395227831.db2.gz KSMOORIQLATMFU-IZRJCCQOSA-N 2 0 343.515 3.299 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484161498 1395295990 /nfs/dbraw/zinc/29/59/90/1395295990.db2.gz WTHJDAYIGCAJGH-AQKVLALTSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484170834 1395311862 /nfs/dbraw/zinc/31/18/62/1395311862.db2.gz ZMHMXTLTZBTMPS-QEVIJRNUSA-N 2 0 349.563 3.293 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001484176710 1395322508 /nfs/dbraw/zinc/32/25/08/1395322508.db2.gz ZYIQTXITKKHFQL-OAQYLSRUSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001484558074 1395439387 /nfs/dbraw/zinc/43/93/87/1395439387.db2.gz YWJAOJKOKNBTQN-UHFFFAOYSA-N 2 0 345.531 3.265 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001484654415 1395463834 /nfs/dbraw/zinc/46/38/34/1395463834.db2.gz JUZOAYTZLBHLNS-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001484728408 1395491288 /nfs/dbraw/zinc/49/12/88/1395491288.db2.gz OBXSLIXCTDYXFI-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCCN(C)C(=O)CC[NH+](C)C ZINC001484757616 1395509196 /nfs/dbraw/zinc/50/91/96/1395509196.db2.gz OXQQMFHPPMTUEA-HNNXBMFYSA-N 2 0 339.911 3.133 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484810747 1395546593 /nfs/dbraw/zinc/54/65/93/1395546593.db2.gz KBIRKPNWVVOFBY-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N1CCC(C[N@H+](CC)CCC(C)(C)C)CC1)[NH+](C)C ZINC001485030593 1395645877 /nfs/dbraw/zinc/64/58/77/1395645877.db2.gz HECBJQMJFNLOKW-GOSISDBHSA-N 2 0 339.568 3.323 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001485155761 1395671852 /nfs/dbraw/zinc/67/18/52/1395671852.db2.gz LFYFHFYPGBTSTP-CVEARBPZSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001485164678 1395678433 /nfs/dbraw/zinc/67/84/33/1395678433.db2.gz UCDPUEXDGSVBIS-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001485211976 1395707845 /nfs/dbraw/zinc/70/78/45/1395707845.db2.gz MMDSFJNNXYHIHV-HZPDHXFCSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001485211974 1395708138 /nfs/dbraw/zinc/70/81/38/1395708138.db2.gz MMDSFJNNXYHIHV-CVEARBPZSA-N 2 0 337.552 3.027 10 0 EGAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001485239714 1395733149 /nfs/dbraw/zinc/73/31/49/1395733149.db2.gz YGCRKNPJVPZRON-MHJFOBGBSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1cccc(F)c1 ZINC001485336451 1395809484 /nfs/dbraw/zinc/80/94/84/1395809484.db2.gz KREFCUYBWVHINA-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)CC2=CCCCC2)C1 ZINC001485342017 1395814086 /nfs/dbraw/zinc/81/40/86/1395814086.db2.gz NJUZLXDGEOZUTA-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[N@H+](C)CCC1=CCCCC1 ZINC001485359199 1395833931 /nfs/dbraw/zinc/83/39/31/1395833931.db2.gz WFWHULBTKMUXSC-KRWDZBQOSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+](CCC1)C2)C(C)C ZINC001485433849 1395900693 /nfs/dbraw/zinc/90/06/93/1395900693.db2.gz IGNRYULYAMPCBT-IBGZPJMESA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C)[NH+](CC)CC ZINC001485482100 1395965854 /nfs/dbraw/zinc/96/58/54/1395965854.db2.gz IQSJZWXDGKUCPA-MOPGFXCFSA-N 2 0 337.552 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001485482425 1395966590 /nfs/dbraw/zinc/96/65/90/1395966590.db2.gz LPQSCCVQSIJNHQ-HWUNFHLVSA-N 2 0 346.519 3.305 10 0 EGAERP Cc1ccc(C[NH+]2CCCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001485486620 1395972430 /nfs/dbraw/zinc/97/24/30/1395972430.db2.gz ZESDYIZZFPKEHE-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC2CCCCC2)CC1(C)C ZINC001485571319 1396037614 /nfs/dbraw/zinc/03/76/14/1396037614.db2.gz JHGFACSJIKNWGH-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CCC[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001485740672 1396127843 /nfs/dbraw/zinc/12/78/43/1396127843.db2.gz RQHWPIVBCOGZNN-KRWDZBQOSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001486186505 1396181643 /nfs/dbraw/zinc/18/16/43/1396181643.db2.gz KBVKKAJNGYPGQK-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001486240851 1396187416 /nfs/dbraw/zinc/18/74/16/1396187416.db2.gz QHBRNLPCDADHSQ-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)cc1 ZINC001486240074 1396187595 /nfs/dbraw/zinc/18/75/95/1396187595.db2.gz JBNSEPLCLGNSGM-LJQANCHMSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001501390332 1396193437 /nfs/dbraw/zinc/19/34/37/1396193437.db2.gz IYEOGULPVIFARK-CZHQAMEJSA-N 2 0 345.531 3.036 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001502987190 1396237822 /nfs/dbraw/zinc/23/78/22/1396237822.db2.gz LPFNVIKEFNEKDP-QRMWTIMZSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001492091582 1396303734 /nfs/dbraw/zinc/30/37/34/1396303734.db2.gz FAPRAPGTIFGFHN-QUCCMNQESA-N 2 0 345.531 3.242 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001492091584 1396303805 /nfs/dbraw/zinc/30/38/05/1396303805.db2.gz FAPRAPGTIFGFHN-UYAOXDASSA-N 2 0 345.531 3.242 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001492156653 1396309440 /nfs/dbraw/zinc/30/94/40/1396309440.db2.gz IBKRDQLQABRETL-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1cccc(F)c1)[NH+](C)C ZINC001492164925 1396310892 /nfs/dbraw/zinc/31/08/92/1396310892.db2.gz JJMGYAKRBPOYAU-MOPGFXCFSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001493140073 1396338255 /nfs/dbraw/zinc/33/82/55/1396338255.db2.gz NFFKEAJOUYTCPA-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001495168598 1396521762 /nfs/dbraw/zinc/52/17/62/1396521762.db2.gz NQBPDHLHXODZSC-OALUTQOASA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001495809886 1396560615 /nfs/dbraw/zinc/56/06/15/1396560615.db2.gz ULARUYONTVDRQR-MSOLQXFVSA-N 2 0 345.531 3.309 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001495814220 1396561627 /nfs/dbraw/zinc/56/16/27/1396561627.db2.gz OZRDTYCEINQIOZ-HKUYNNGSSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C[NH+]1CCCC1 ZINC001496295324 1396636408 /nfs/dbraw/zinc/63/64/08/1396636408.db2.gz KQXDERWCKPGKAD-ACBHZAAOSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001496414800 1396698325 /nfs/dbraw/zinc/69/83/25/1396698325.db2.gz MLRWSHDEICSTOL-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497298577 1396746022 /nfs/dbraw/zinc/74/60/22/1396746022.db2.gz HSAHKYTYKJBEOI-INIZCTEOSA-N 2 0 337.552 3.029 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)C1CC[NH+](C(C)C)CC1 ZINC001497474473 1396761339 /nfs/dbraw/zinc/76/13/39/1396761339.db2.gz SBVNRJYMTCPPQJ-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCCC1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497615023 1396773392 /nfs/dbraw/zinc/77/33/92/1396773392.db2.gz ZBGNEFOAUGMLGE-PSCPARJHSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1cccc2ccccc21 ZINC001497676348 1396779974 /nfs/dbraw/zinc/77/99/74/1396779974.db2.gz YKWWOANSHKFBHW-JTGQJZMRSA-N 2 0 339.483 3.115 10 0 EGAERP CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001689051810 1396847063 /nfs/dbraw/zinc/84/70/63/1396847063.db2.gz FGSPDRKUIGDMAL-YLJYHZDGSA-N 2 0 345.531 3.031 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)[C@H]1CC ZINC001689177129 1396959662 /nfs/dbraw/zinc/95/96/62/1396959662.db2.gz YLSPGPDTONPJSC-GBESFXJTSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001689270227 1397002141 /nfs/dbraw/zinc/00/21/41/1397002141.db2.gz KCGGLOQDTZSYIM-BBIZLLLXSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CC1 ZINC001498483760 1397029702 /nfs/dbraw/zinc/02/97/02/1397029702.db2.gz GGLIBIVGSQTHNV-MJGOQNOKSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001689352577 1403682885 /nfs/dbraw/zinc/68/28/85/1403682885.db2.gz JDKIFYOHUDGETC-XWSJACJDSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001689821044 1404160269 /nfs/dbraw/zinc/16/02/69/1404160269.db2.gz MGKFIQWLUGOKMS-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690051793 1404285134 /nfs/dbraw/zinc/28/51/34/1404285134.db2.gz TYJPOOOOKUMIAC-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH+](C)CCC2CC2)C1 ZINC001690191740 1404395638 /nfs/dbraw/zinc/39/56/38/1404395638.db2.gz ZGTHBCZIVZUKLH-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001690193278 1404398547 /nfs/dbraw/zinc/39/85/47/1404398547.db2.gz XPPFZBSRRFBAHZ-GRMGMVGISA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001690295231 1404455591 /nfs/dbraw/zinc/45/55/91/1404455591.db2.gz OUMVJVMMZGVKBO-NJNGULPTSA-N 2 0 335.536 3.090 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001690318035 1404475431 /nfs/dbraw/zinc/47/54/31/1404475431.db2.gz OAEAJEOAXQXHCP-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690354857 1404489346 /nfs/dbraw/zinc/48/93/46/1404489346.db2.gz DYDJXLUMLRSFOF-IMBTUZDBSA-N 2 0 335.536 3.066 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690354859 1404489412 /nfs/dbraw/zinc/48/94/12/1404489412.db2.gz DYDJXLUMLRSFOF-VXNCWWDNSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001690394348 1404537438 /nfs/dbraw/zinc/53/74/38/1404537438.db2.gz XVSVEWOFWUMRDH-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)CCC[NH+](C)C)CC1 ZINC001690452970 1404579685 /nfs/dbraw/zinc/57/96/85/1404579685.db2.gz PCNXOFPMKHFHIT-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001690780750 1404729068 /nfs/dbraw/zinc/72/90/68/1404729068.db2.gz LIRLZEZNZUQTJZ-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001690784843 1404732556 /nfs/dbraw/zinc/73/25/56/1404732556.db2.gz NIOZTEOOOQCTCO-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788983 1404735998 /nfs/dbraw/zinc/73/59/98/1404735998.db2.gz YEBYAYRLYBFFLU-RTBURBONSA-N 2 0 335.536 3.234 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001725403601 1426048030 /nfs/dbraw/zinc/04/80/30/1426048030.db2.gz IVLCZROARMJSMK-QZTJIDSGSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)CCC[NH2+]CCC(C)(C)C)CC1 ZINC001725408237 1426052330 /nfs/dbraw/zinc/05/23/30/1426052330.db2.gz OCPJNJIQKQFTMA-KRWDZBQOSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CCC(C)(C)C)CC1 ZINC001725408241 1426052435 /nfs/dbraw/zinc/05/24/35/1426052435.db2.gz OCPJNJIQKQFTMA-QGZVFWFLSA-N 2 0 339.568 3.418 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691061480 1404985454 /nfs/dbraw/zinc/98/54/54/1404985454.db2.gz GTCLSCVOMMMNMA-MGBKSAOESA-N 2 0 335.536 3.138 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001691083666 1405017587 /nfs/dbraw/zinc/01/75/87/1405017587.db2.gz ZCPFGTQJLMHXPZ-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001725643677 1426324420 /nfs/dbraw/zinc/32/44/20/1426324420.db2.gz XXWWOUWWKWYKAK-QUCCMNQESA-N 2 0 335.536 3.166 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001691160362 1405096229 /nfs/dbraw/zinc/09/62/29/1405096229.db2.gz XHXJNIPBOHDEFZ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C)[C@@H]2CC[NH2+]CC2CCC2)CC1 ZINC001691304615 1405199241 /nfs/dbraw/zinc/19/92/41/1405199241.db2.gz CYIPQRNAYJZLCA-QUCCMNQESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001691541320 1405331552 /nfs/dbraw/zinc/33/15/52/1405331552.db2.gz RUEYJMQWDUVIHQ-VAMGGRTRSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001691554412 1405337276 /nfs/dbraw/zinc/33/72/76/1405337276.db2.gz HXSNJDMFWBISPL-HSALFYBXSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001691623578 1405362682 /nfs/dbraw/zinc/36/26/82/1405362682.db2.gz BOSYFGDMQVZNNM-AZUAARDMSA-N 2 0 349.563 3.173 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CC2)C1 ZINC001691636631 1405372325 /nfs/dbraw/zinc/37/23/25/1405372325.db2.gz JVRXKBVCMCDAAE-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CC1CCCCCC1 ZINC001731307156 1427248959 /nfs/dbraw/zinc/24/89/59/1427248959.db2.gz WFDZVXKSBKRUSY-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)[C@H]1C ZINC001691764891 1405478717 /nfs/dbraw/zinc/47/87/17/1405478717.db2.gz GQINIRNJRSVCMJ-OTWHNJEPSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001691892977 1405615525 /nfs/dbraw/zinc/61/55/25/1405615525.db2.gz KCPPIOCSDMKHEW-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691955580 1405673606 /nfs/dbraw/zinc/67/36/06/1405673606.db2.gz ZJBYVGFUSYSPSL-ZCNNSNEGSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001692006017 1405723416 /nfs/dbraw/zinc/72/34/16/1405723416.db2.gz WSTDNHFHKRPLAD-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001692009983 1405728100 /nfs/dbraw/zinc/72/81/00/1405728100.db2.gz ROKGJQOTINQGKC-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001692074141 1405761107 /nfs/dbraw/zinc/76/11/07/1405761107.db2.gz CVWUZXGJNUBXMR-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C\Cl)[NH+](CC)CC ZINC001692086013 1405765861 /nfs/dbraw/zinc/76/58/61/1405765861.db2.gz LGKNFUIKQKWGQJ-UQLZKREUSA-N 2 0 343.943 3.076 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001692131954 1405789551 /nfs/dbraw/zinc/78/95/51/1405789551.db2.gz MNAOQJWNJPWYCZ-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001692196501 1405835742 /nfs/dbraw/zinc/83/57/42/1405835742.db2.gz ILHBBNURRPPZMH-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1=CCCCC1 ZINC001732015576 1428229796 /nfs/dbraw/zinc/22/97/96/1428229796.db2.gz RWWYFKLJTPMQKC-NRFANRHFSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568879 1406172536 /nfs/dbraw/zinc/17/25/36/1406172536.db2.gz GWCPVROLXFOMDA-WOJBJXKFSA-N 2 0 345.531 3.148 10 0 EGAERP CC[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001698602679 1406229125 /nfs/dbraw/zinc/22/91/25/1406229125.db2.gz NATSHWASMJXNDM-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1 ZINC001732019791 1428236765 /nfs/dbraw/zinc/23/67/65/1428236765.db2.gz SWZKDZFRAUZXCU-UXHICEINSA-N 2 0 341.499 3.028 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1 ZINC001732070013 1428317819 /nfs/dbraw/zinc/31/78/19/1428317819.db2.gz DBAPBAJZHJGNON-SFHVURJKSA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC2CCC2)C1 ZINC001732084717 1428343481 /nfs/dbraw/zinc/34/34/81/1428343481.db2.gz SZTRSQWMHMNSKD-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001732084768 1428343609 /nfs/dbraw/zinc/34/36/09/1428343609.db2.gz UWJPLQFEIOFIMF-DLBZAZTESA-N 2 0 349.494 3.007 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732149956 1428392712 /nfs/dbraw/zinc/39/27/12/1428392712.db2.gz QNZRKUMWQCPWLQ-UOUNDWCUSA-N 2 0 347.547 3.282 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732170628 1428414331 /nfs/dbraw/zinc/41/43/31/1428414331.db2.gz OKVASTQPQGMOOS-WHXUGTBJSA-N 2 0 349.563 3.386 10 0 EGAERP CN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001732173631 1428418514 /nfs/dbraw/zinc/41/85/14/1428418514.db2.gz RNIDUFOVDXGVTD-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732212160 1428460069 /nfs/dbraw/zinc/46/00/69/1428460069.db2.gz PRWUHGRXIFBBJQ-UHMOSQCASA-N 2 0 341.515 3.040 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC2(C[NH2+]CCCC3CCC3)CCCC2)CC[N@@H+]1C ZINC001732233681 1428480355 /nfs/dbraw/zinc/48/03/55/1428480355.db2.gz WTMSENJEWRMJIU-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001732307765 1428522623 /nfs/dbraw/zinc/52/26/23/1428522623.db2.gz MCQXDHPUSWWDJO-BZSNNMDCSA-N 2 0 341.515 3.016 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001732310479 1428523844 /nfs/dbraw/zinc/52/38/44/1428523844.db2.gz LTSLRUKLUKSMGH-WSQFCIIPSA-N 2 0 347.547 3.377 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001732392540 1428561373 /nfs/dbraw/zinc/56/13/73/1428561373.db2.gz WHJYSBGRKWIQNQ-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001732399413 1428565546 /nfs/dbraw/zinc/56/55/46/1428565546.db2.gz HFTZLQVSENSLFI-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001732399889 1428566157 /nfs/dbraw/zinc/56/61/57/1428566157.db2.gz IZCBXOBNSMNRJV-CALCHBBNSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732420098 1428574001 /nfs/dbraw/zinc/57/40/01/1428574001.db2.gz SEXGAPSUYFWQNJ-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC001732435928 1428579781 /nfs/dbraw/zinc/57/97/81/1428579781.db2.gz KGLVQRYBAZRIPX-WMLDXEAASA-N 2 0 339.911 3.179 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732443594 1428583285 /nfs/dbraw/zinc/58/32/85/1428583285.db2.gz VHIXFVZSMKXXDA-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001732481396 1428606168 /nfs/dbraw/zinc/60/61/68/1428606168.db2.gz ZVGKWXXJXGWCOG-RBUKOAKNSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H]([NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001732515642 1428634479 /nfs/dbraw/zinc/63/44/79/1428634479.db2.gz SSIYBFXXEBBTQB-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732532710 1428653459 /nfs/dbraw/zinc/65/34/59/1428653459.db2.gz QGVFXJPTPCVDOF-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699139824 1412530752 /nfs/dbraw/zinc/53/07/52/1412530752.db2.gz BOCQXEZVPZEHSW-SJORKVTESA-N 2 0 325.541 3.172 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001699161215 1412544881 /nfs/dbraw/zinc/54/48/81/1412544881.db2.gz VPCFYFIVQABUNH-FXAWDEMLSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699161658 1412544971 /nfs/dbraw/zinc/54/49/71/1412544971.db2.gz WDWGYMJBDPAFOT-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699186221 1412559975 /nfs/dbraw/zinc/55/99/75/1412559975.db2.gz DNXXNHOAQNMARQ-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001699220412 1412584731 /nfs/dbraw/zinc/58/47/31/1412584731.db2.gz TUBHCQUEGPHDJG-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001699365109 1412671787 /nfs/dbraw/zinc/67/17/87/1412671787.db2.gz DMOVHYPZCBCGBQ-RDTXWAMCSA-N 2 0 349.544 3.058 10 0 EGAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699466954 1412836010 /nfs/dbraw/zinc/83/60/10/1412836010.db2.gz GWMQQIXXYFYXMP-MRXNPFEDSA-N 2 0 345.531 3.235 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001699515600 1412900399 /nfs/dbraw/zinc/90/03/99/1412900399.db2.gz DEDVABYYNJXMRP-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1C ZINC001699554749 1412921785 /nfs/dbraw/zinc/92/17/85/1412921785.db2.gz YEUXMLVOXPOPAQ-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CC2CCCC2)CC1 ZINC001699657304 1413040408 /nfs/dbraw/zinc/04/04/08/1413040408.db2.gz HXVSLTDNRNNUTP-UHFFFAOYSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001699679088 1413074114 /nfs/dbraw/zinc/07/41/14/1413074114.db2.gz XWBHPRBJKPDLIQ-YQQQUEKLSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001699682806 1413077278 /nfs/dbraw/zinc/07/72/78/1413077278.db2.gz SKBAIFFKWPTGGS-QRVBRYPASA-N 2 0 337.552 3.074 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CCCCCC1 ZINC001699682935 1413077485 /nfs/dbraw/zinc/07/74/85/1413077485.db2.gz CDWXCWVDGNPDEF-RTBURBONSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001699739957 1413150637 /nfs/dbraw/zinc/15/06/37/1413150637.db2.gz XACFYOLGCSHHHL-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001699741166 1413152224 /nfs/dbraw/zinc/15/22/24/1413152224.db2.gz SSOXYANZKOFSQI-YKMDAGRBSA-N 2 0 349.563 3.432 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001699771287 1413177737 /nfs/dbraw/zinc/17/77/37/1413177737.db2.gz VEUYVSOEDCSLIS-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001699796099 1413205246 /nfs/dbraw/zinc/20/52/46/1413205246.db2.gz LJVFAJZJNRZNRN-VQTJNVASSA-N 2 0 349.563 3.480 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CC(C)(C)C1 ZINC001699804009 1413216283 /nfs/dbraw/zinc/21/62/83/1413216283.db2.gz MQEHFKDFTUEFPP-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699842613 1413271321 /nfs/dbraw/zinc/27/13/21/1413271321.db2.gz OWZNBLBKJSQTJA-FQEVSTJZSA-N 2 0 347.547 3.023 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001699845197 1413274001 /nfs/dbraw/zinc/27/40/01/1413274001.db2.gz ALIBOKVHDLILHA-GGVAOPBYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001699937882 1413381190 /nfs/dbraw/zinc/38/11/90/1413381190.db2.gz BELAYEAPBYKKIZ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699983295 1413429678 /nfs/dbraw/zinc/42/96/78/1413429678.db2.gz ALWFWKJDUKMWDS-FQEVSTJZSA-N 2 0 345.531 3.134 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699985683 1413432656 /nfs/dbraw/zinc/43/26/56/1413432656.db2.gz VVDQEPHDVDIJCX-LJQANCHMSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)C[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001700095283 1413509740 /nfs/dbraw/zinc/50/97/40/1413509740.db2.gz WIABYUKDVNWYCP-ZWOKBUDYSA-N 2 0 345.531 3.340 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001700182389 1413597696 /nfs/dbraw/zinc/59/76/96/1413597696.db2.gz WPVLBFFOVUXZIR-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001700195732 1413635482 /nfs/dbraw/zinc/63/54/82/1413635482.db2.gz YEBSPBUIWHLSMA-INIZCTEOSA-N 2 0 337.483 3.007 10 0 EGAERP CC(C)[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC1CCC1 ZINC001732556649 1428744592 /nfs/dbraw/zinc/74/45/92/1428744592.db2.gz HYEHORNVMCJNAB-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C3(C[NH+](C)C)CC3)cc2C1 ZINC001700252283 1413698116 /nfs/dbraw/zinc/69/81/16/1413698116.db2.gz FMCIEURFMLAAAZ-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP CC/C=C/CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001700252940 1413700904 /nfs/dbraw/zinc/70/09/04/1413700904.db2.gz FYAJUPQFYZYIRI-VOTSOKGWSA-N 2 0 343.515 3.315 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001700280423 1413725160 /nfs/dbraw/zinc/72/51/60/1413725160.db2.gz KKYGZPOEXPKJEA-WARJXXDVSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001700425333 1413980369 /nfs/dbraw/zinc/98/03/69/1413980369.db2.gz QKAUTXAKZDUYDL-QZTJIDSGSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001732584817 1428795639 /nfs/dbraw/zinc/79/56/39/1428795639.db2.gz CHVJCWMCPRASSD-LPHOPBHVSA-N 2 0 349.494 3.151 10 0 EGAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001732584839 1428795850 /nfs/dbraw/zinc/79/58/50/1428795850.db2.gz DAVHZAYECMKAHA-HXUWFJFHSA-N 2 0 347.547 3.284 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700662895 1414322123 /nfs/dbraw/zinc/32/21/23/1414322123.db2.gz ZJDKJPASCPLDEK-PXNSSMCTSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC2CC3(CCC3)C2)CC1 ZINC001700697451 1414356657 /nfs/dbraw/zinc/35/66/57/1414356657.db2.gz AOZDICLOPDNYAY-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001700754082 1414424220 /nfs/dbraw/zinc/42/42/20/1414424220.db2.gz MCXBFXJCUFDKCU-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001700754746 1414424952 /nfs/dbraw/zinc/42/49/52/1414424952.db2.gz ZDQUOMQBYZUNIZ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700769000 1414446411 /nfs/dbraw/zinc/44/64/11/1414446411.db2.gz UORPWRMRIXVSTM-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCC1=CCCCC1)CC2 ZINC001700869880 1414522695 /nfs/dbraw/zinc/52/26/95/1414522695.db2.gz WQQXRTWSBYRVNN-CTNGQTDRSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001700875653 1414530395 /nfs/dbraw/zinc/53/03/95/1414530395.db2.gz SZPWYUWPFDVKIS-UFYCRDLUSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC001700918125 1414570282 /nfs/dbraw/zinc/57/02/82/1414570282.db2.gz ZNYKNGCPMRRJNW-UFYCRDLUSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001700975134 1414608608 /nfs/dbraw/zinc/60/86/08/1414608608.db2.gz KJQGFBCXSABIAF-RBUKOAKNSA-N 2 0 337.552 3.362 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001700995082 1414642257 /nfs/dbraw/zinc/64/22/57/1414642257.db2.gz FJBWUAQDXOPBQO-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001700995081 1414642751 /nfs/dbraw/zinc/64/27/51/1414642751.db2.gz FJBWUAQDXOPBQO-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CCC(C)CC2)CC1 ZINC001701012824 1414673811 /nfs/dbraw/zinc/67/38/11/1414673811.db2.gz QASOBGFFINERGJ-XBMUEBEBSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c(C[NH+](C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001732597477 1428838276 /nfs/dbraw/zinc/83/82/76/1428838276.db2.gz NECDHRXGPDMHIX-KDURUIRLSA-N 2 0 345.531 3.066 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732698423 1428915310 /nfs/dbraw/zinc/91/53/10/1428915310.db2.gz BPARCEUIUVXDHB-PKOBYXMFSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732735068 1428936174 /nfs/dbraw/zinc/93/61/74/1428936174.db2.gz USQXCGAAKGNHCC-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001732908688 1429042311 /nfs/dbraw/zinc/04/23/11/1429042311.db2.gz OCTKLEZIPHDHKU-XJDXJNMNSA-N 2 0 343.515 3.020 10 0 EGAERP C[C@H](C[NH2+]Cc1ccccc1C1CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732966574 1429091392 /nfs/dbraw/zinc/09/13/92/1429091392.db2.gz MOCGQENDCCLVLX-MRXNPFEDSA-N 2 0 343.515 3.033 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCCCC1)c1ccccc1 ZINC001733019524 1429138594 /nfs/dbraw/zinc/13/85/94/1429138594.db2.gz WUUAOMRVUMTLMK-PXNSSMCTSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001707083136 1417191144 /nfs/dbraw/zinc/19/11/44/1417191144.db2.gz OVVOJZSBUHFMBR-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001707227345 1417252390 /nfs/dbraw/zinc/25/23/90/1417252390.db2.gz SUUYVUAFJMZFCU-UXHICEINSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001707237620 1417257842 /nfs/dbraw/zinc/25/78/42/1417257842.db2.gz IOKCBZCYSNHSSV-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001707238009 1417258517 /nfs/dbraw/zinc/25/85/17/1417258517.db2.gz LAQKDSDMUNNCTP-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001707277909 1417285005 /nfs/dbraw/zinc/28/50/05/1417285005.db2.gz FAKZRZIASZJKAK-IBGZPJMESA-N 2 0 337.552 3.076 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1 ZINC001707279636 1417288582 /nfs/dbraw/zinc/28/85/82/1417288582.db2.gz DYDBOAJFXGZITC-IBGZPJMESA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001707376464 1417300648 /nfs/dbraw/zinc/30/06/48/1417300648.db2.gz ABCVEEOKICKQQY-MJGOQNOKSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001707437950 1417342419 /nfs/dbraw/zinc/34/24/19/1417342419.db2.gz QNKSKFNBUOZFDK-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001707444033 1417347716 /nfs/dbraw/zinc/34/77/16/1417347716.db2.gz KRXVCWALZZGPMT-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC1CC(C)(C)C1 ZINC001707470932 1417371327 /nfs/dbraw/zinc/37/13/27/1417371327.db2.gz YOEULMJSKBROAA-CALCHBBNSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)C/C=C\c1ccccc1 ZINC001712990958 1417541996 /nfs/dbraw/zinc/54/19/96/1417541996.db2.gz KQHPNQJQLNBIQP-OFIWPEFUSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001712999945 1417553038 /nfs/dbraw/zinc/55/30/38/1417553038.db2.gz PFZALDOQGWFKSE-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713004709 1417558681 /nfs/dbraw/zinc/55/86/81/1417558681.db2.gz RYQWQNXDYXNDKI-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733054020 1429195106 /nfs/dbraw/zinc/19/51/06/1429195106.db2.gz LVSFQPCPOHIVDI-FUHWJXTLSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001713038581 1417589190 /nfs/dbraw/zinc/58/91/90/1417589190.db2.gz JJDAXDKMKZYHLK-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CN(C(=O)CC[NH+](C)C)C1CC[NH+](CCC2CCCCCC2)CC1 ZINC001713055292 1417607936 /nfs/dbraw/zinc/60/79/36/1417607936.db2.gz MRCJBXZOGSALJI-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713095795 1417644877 /nfs/dbraw/zinc/64/48/77/1417644877.db2.gz SELMQFYFSHQIML-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001713098238 1417648022 /nfs/dbraw/zinc/64/80/22/1417648022.db2.gz JNURQLQIICNGFN-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001713113309 1417676062 /nfs/dbraw/zinc/67/60/62/1417676062.db2.gz YHUKEOWTGRECJN-UXHICEINSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001713175473 1417748133 /nfs/dbraw/zinc/74/81/33/1417748133.db2.gz DMRNJWVVYSZHDA-UFYCRDLUSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713202466 1417772612 /nfs/dbraw/zinc/77/26/12/1417772612.db2.gz FKSIDMZLJIWYQY-KSZLIROESA-N 2 0 337.552 3.312 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713208601 1417779078 /nfs/dbraw/zinc/77/90/78/1417779078.db2.gz RQAAUHHRUMBJFK-GPXQEHKYSA-N 2 0 335.536 3.090 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001713221978 1417807523 /nfs/dbraw/zinc/80/75/23/1417807523.db2.gz UTEKUQVSHGMVSL-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001713316687 1417942238 /nfs/dbraw/zinc/94/22/38/1417942238.db2.gz WYYYVLNYPWOZHX-RTBURBONSA-N 2 0 345.531 3.081 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001713373794 1417983800 /nfs/dbraw/zinc/98/38/00/1417983800.db2.gz FVHDNZVXTLXZHA-SJORKVTESA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001713379016 1417989148 /nfs/dbraw/zinc/98/91/48/1417989148.db2.gz MTUZOIZCMKRYBP-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001713438353 1418071421 /nfs/dbraw/zinc/07/14/21/1418071421.db2.gz AHNPIFBDNABSGK-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001713438623 1418071762 /nfs/dbraw/zinc/07/17/62/1418071762.db2.gz GQLXWOCLURKQEZ-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001733082747 1429235957 /nfs/dbraw/zinc/23/59/57/1429235957.db2.gz HOMCNUARRRWYSY-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713509324 1418235494 /nfs/dbraw/zinc/23/54/94/1418235494.db2.gz AVMNKBOOTUYENZ-MRXNPFEDSA-N 2 0 328.460 3.027 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H]2CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001713520412 1418262853 /nfs/dbraw/zinc/26/28/53/1418262853.db2.gz ULAFRXANZQRUDC-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713538309 1418294087 /nfs/dbraw/zinc/29/40/87/1418294087.db2.gz IOPKLCVAQZJWPK-YSKLNCTFSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1c(C(=O)N(C)CCC[NH2+]C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001733111764 1429246964 /nfs/dbraw/zinc/24/69/64/1429246964.db2.gz FYDXZKFFBGXMSC-INIZCTEOSA-N 2 0 344.503 3.377 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CCC(C)CC1)C1CC1 ZINC001713566357 1418377380 /nfs/dbraw/zinc/37/73/80/1418377380.db2.gz VFACGPHZMORAOW-QLOJAFMTSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001713700037 1418456708 /nfs/dbraw/zinc/45/67/08/1418456708.db2.gz DJMVENCIDBEWCK-LJQANCHMSA-N 2 0 345.531 3.497 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC(C)C)c2ccccc2)C1 ZINC001713700306 1418457408 /nfs/dbraw/zinc/45/74/08/1418457408.db2.gz CQTANDOMMAHVCC-UXHICEINSA-N 2 0 345.531 3.212 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001713730159 1418515341 /nfs/dbraw/zinc/51/53/41/1418515341.db2.gz KGEHXWWQBBGJPW-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001713742498 1418545031 /nfs/dbraw/zinc/54/50/31/1418545031.db2.gz YZHUJUMBPQCWHY-RTBURBONSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001713855244 1418652064 /nfs/dbraw/zinc/65/20/64/1418652064.db2.gz QSYXDNOQUMSRNQ-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[NH+]1CC(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713901691 1418701454 /nfs/dbraw/zinc/70/14/54/1418701454.db2.gz TWNIBOYBBFPHMV-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001713912432 1418708172 /nfs/dbraw/zinc/70/81/72/1418708172.db2.gz XBUSFFGEYBDPFK-IIWUUDQXSA-N 2 0 345.531 3.035 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978385 1418759924 /nfs/dbraw/zinc/75/99/24/1418759924.db2.gz UTKHIYYQTJFDHA-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714044886 1418839230 /nfs/dbraw/zinc/83/92/30/1418839230.db2.gz COIOPTIFSPITIL-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075631 1418869957 /nfs/dbraw/zinc/86/99/57/1418869957.db2.gz YUEJFOYMUKZIJM-UXHICEINSA-N 2 0 345.531 3.161 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001714079089 1418873480 /nfs/dbraw/zinc/87/34/80/1418873480.db2.gz KDLBIASNXPLWQX-IBGZPJMESA-N 2 0 345.531 3.033 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092613 1418886470 /nfs/dbraw/zinc/88/64/70/1418886470.db2.gz AVTYWMYHOJYKJL-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001714107555 1418907211 /nfs/dbraw/zinc/90/72/11/1418907211.db2.gz RSVQQCPSIMUUFG-ICSRJNTNSA-N 2 0 345.531 3.244 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714114555 1418916361 /nfs/dbraw/zinc/91/63/61/1418916361.db2.gz HUQVYNXPOBSGEK-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001714143414 1418946092 /nfs/dbraw/zinc/94/60/92/1418946092.db2.gz BRNGZBLYVJPMLG-MOPGFXCFSA-N 2 0 335.536 3.118 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714188057 1418995206 /nfs/dbraw/zinc/99/52/06/1418995206.db2.gz SWQWEZYPMUNWKN-ACBHZAAOSA-N 2 0 337.552 3.312 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001733198350 1429300419 /nfs/dbraw/zinc/30/04/19/1429300419.db2.gz KJWUNFDOHBUTOD-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001714359443 1419121718 /nfs/dbraw/zinc/12/17/18/1419121718.db2.gz ZZXKWTGKVUJUEL-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001714366099 1419125829 /nfs/dbraw/zinc/12/58/29/1419125829.db2.gz MDNQUWNLIAUHOO-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714439739 1419171815 /nfs/dbraw/zinc/17/18/15/1419171815.db2.gz YEIBVFSZVXJSOA-WOJBJXKFSA-N 2 0 349.563 3.362 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714442221 1419174103 /nfs/dbraw/zinc/17/41/03/1419174103.db2.gz SSWYGNOELVLDLP-CQQBRXBZSA-N 2 0 335.536 3.140 10 0 EGAERP C[NH+](CCC(C)(C)C)[C@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714448912 1419181541 /nfs/dbraw/zinc/18/15/41/1419181541.db2.gz NBRCFMKXISZBHN-KRWDZBQOSA-N 2 0 339.568 3.323 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001714454611 1419187133 /nfs/dbraw/zinc/18/71/33/1419187133.db2.gz QDTVTVLOVSEVFP-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001714454612 1419187209 /nfs/dbraw/zinc/18/72/09/1419187209.db2.gz QDTVTVLOVSEVFP-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001714525393 1419251601 /nfs/dbraw/zinc/25/16/01/1419251601.db2.gz WYDIEWZFAVJHPB-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001714536024 1419262373 /nfs/dbraw/zinc/26/23/73/1419262373.db2.gz FQIIXRQGEYQRIR-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571400 1419303568 /nfs/dbraw/zinc/30/35/68/1419303568.db2.gz CPNMVAYACRMPAC-APWZRJJASA-N 2 0 349.494 3.055 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714607018 1419365291 /nfs/dbraw/zinc/36/52/91/1419365291.db2.gz KGBBSDVDJRFHNT-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001714613445 1419373788 /nfs/dbraw/zinc/37/37/88/1419373788.db2.gz NZOCWIAGGNPIBW-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001714646457 1419421556 /nfs/dbraw/zinc/42/15/56/1419421556.db2.gz KNNKIKCDYJGERJ-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714798161 1419513519 /nfs/dbraw/zinc/51/35/19/1419513519.db2.gz RHKXIGBNUBOLNQ-ICSRJNTNSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714807735 1419519679 /nfs/dbraw/zinc/51/96/79/1419519679.db2.gz WLMDIAICVUWOBT-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001714900253 1419641059 /nfs/dbraw/zinc/64/10/59/1419641059.db2.gz SVHONWSAJFCBGU-AZUAARDMSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001714918018 1419669762 /nfs/dbraw/zinc/66/97/62/1419669762.db2.gz DKRCTJWKXBDKBN-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001715029878 1419762572 /nfs/dbraw/zinc/76/25/72/1419762572.db2.gz RZMDQUKBQLNOQG-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001715031856 1419764559 /nfs/dbraw/zinc/76/45/59/1419764559.db2.gz WHZOCNABUWRCKQ-KXBFYZLASA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C)cc1C ZINC001715068451 1419804091 /nfs/dbraw/zinc/80/40/91/1419804091.db2.gz KKZXNKHCVZKFHJ-LJQANCHMSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001715100657 1419841150 /nfs/dbraw/zinc/84/11/50/1419841150.db2.gz UXPUDTZZHJMRCC-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001715103406 1419844624 /nfs/dbraw/zinc/84/46/24/1419844624.db2.gz PLEDPBDYQRTVLV-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001715181042 1419914951 /nfs/dbraw/zinc/91/49/51/1419914951.db2.gz CJMSBBLFTDFHHV-FHWLQOOXSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715192684 1419925041 /nfs/dbraw/zinc/92/50/41/1419925041.db2.gz WPNXJDXMETYFEM-OALUTQOASA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001715203919 1419937502 /nfs/dbraw/zinc/93/75/02/1419937502.db2.gz LPNASCCVGBFUAL-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001715210637 1419943719 /nfs/dbraw/zinc/94/37/19/1419943719.db2.gz SGDINAOYMZEXPZ-HKVCONOFSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715211149 1419943947 /nfs/dbraw/zinc/94/39/47/1419943947.db2.gz VPEBYXUMOPKNEV-RBUKOAKNSA-N 2 0 345.531 3.369 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F ZINC001715213379 1419945679 /nfs/dbraw/zinc/94/56/79/1419945679.db2.gz BNTUESKPEPORIP-SFHVURJKSA-N 2 0 349.494 3.028 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2CC[NH2+]CCCF)c1 ZINC001715255223 1419978273 /nfs/dbraw/zinc/97/82/73/1419978273.db2.gz SQFVHFLBNXEPGV-IBGZPJMESA-N 2 0 349.494 3.082 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001715327066 1420033816 /nfs/dbraw/zinc/03/38/16/1420033816.db2.gz KEPVNWLEIXWWEY-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715354570 1420054431 /nfs/dbraw/zinc/05/44/31/1420054431.db2.gz LCPBTLVFGFIVAJ-SCTDSRPQSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376643 1420072732 /nfs/dbraw/zinc/07/27/32/1420072732.db2.gz KLFOXLSGVKZAQP-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441182 1420126558 /nfs/dbraw/zinc/12/65/58/1420126558.db2.gz YAVKWOVFVQDZTR-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001715458440 1420139134 /nfs/dbraw/zinc/13/91/34/1420139134.db2.gz IMXXQRKSCUZISR-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715471466 1420150550 /nfs/dbraw/zinc/15/05/50/1420150550.db2.gz IQDXXOQANMLWEY-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001715475257 1420154139 /nfs/dbraw/zinc/15/41/39/1420154139.db2.gz IKZLANIRYUOPPM-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC(CC[N@H+](C)CC2CCCC2)CC1 ZINC001715474985 1420154219 /nfs/dbraw/zinc/15/42/19/1420154219.db2.gz HDSIYQBGUWAMIC-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C/CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001715482033 1420161232 /nfs/dbraw/zinc/16/12/32/1420161232.db2.gz KLIRUPTXBHIECI-RRFGBZISSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@H]1C[NH2+]CC1CCCC1 ZINC001715483771 1420163200 /nfs/dbraw/zinc/16/32/00/1420163200.db2.gz ZQYXRNPWEPMXSO-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCC1 ZINC001715494517 1420175913 /nfs/dbraw/zinc/17/59/13/1420175913.db2.gz MVZHONHZWKWOSK-AZUAARDMSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001715668647 1420287033 /nfs/dbraw/zinc/28/70/33/1420287033.db2.gz BFFIYIYNFNOFPI-MSOLQXFVSA-N 2 0 345.531 3.415 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715739054 1420319904 /nfs/dbraw/zinc/31/99/04/1420319904.db2.gz PFJIAPMVZIVLJD-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715750704 1420324409 /nfs/dbraw/zinc/32/44/09/1420324409.db2.gz ZGDGYMGXQFYLQO-GOSISDBHSA-N 2 0 345.531 3.369 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001715953988 1420420182 /nfs/dbraw/zinc/42/01/82/1420420182.db2.gz OXYNWLOUGPRGHW-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC/C=C\c1ccccc1 ZINC001715978098 1420438143 /nfs/dbraw/zinc/43/81/43/1420438143.db2.gz VIIJYZDLXCXVOB-XQZMWFFBSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001715987679 1420444764 /nfs/dbraw/zinc/44/47/64/1420444764.db2.gz PFZGFKLAOAYPAT-JXFKEZNVSA-N 2 0 345.531 3.135 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCC2CC2)cc1 ZINC001716071062 1420527607 /nfs/dbraw/zinc/52/76/07/1420527607.db2.gz JJZGXULYWNRCGA-VQTJNVASSA-N 2 0 343.515 3.036 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001716145019 1420541151 /nfs/dbraw/zinc/54/11/51/1420541151.db2.gz CAMNEOMEUUOIBN-ZWKOTPCHSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716178543 1420553864 /nfs/dbraw/zinc/55/38/64/1420553864.db2.gz AVFAZPBEOQASGK-SJORKVTESA-N 2 0 349.494 3.075 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716302623 1420598464 /nfs/dbraw/zinc/59/84/64/1420598464.db2.gz IDTZFFNNFZURBE-XJDXJNMNSA-N 2 0 347.547 3.236 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001716378209 1420624182 /nfs/dbraw/zinc/62/41/82/1420624182.db2.gz HCJJOMNWSCWEKK-RIOIIYTLSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716440121 1420660789 /nfs/dbraw/zinc/66/07/89/1420660789.db2.gz PLFNRTFIJPDQSR-QFBILLFUSA-N 2 0 335.536 3.068 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001716455220 1420670215 /nfs/dbraw/zinc/67/02/15/1420670215.db2.gz SVSVCFGLWSNQIR-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001716492841 1420714553 /nfs/dbraw/zinc/71/45/53/1420714553.db2.gz XFWIWDPBDLMTJK-VQIMIIECSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)CCC[NH+]1CCCC1 ZINC001716508533 1420740101 /nfs/dbraw/zinc/74/01/01/1420740101.db2.gz MJRWGIMCIDAILO-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716511935 1420742628 /nfs/dbraw/zinc/74/26/28/1420742628.db2.gz IVSRLFKRGXYZBV-MOPGFXCFSA-N 2 0 349.563 3.482 10 0 EGAERP Cc1c(C(=O)N(C)CCC[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001716552087 1420758120 /nfs/dbraw/zinc/75/81/20/1420758120.db2.gz UURFPXOZFNGOMJ-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NCC1([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001716701128 1420853962 /nfs/dbraw/zinc/85/39/62/1420853962.db2.gz XWUPVUDCUARRFK-UHFFFAOYSA-N 2 0 347.547 3.071 10 0 EGAERP CCCCC[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733276806 1429441676 /nfs/dbraw/zinc/44/16/76/1429441676.db2.gz MLUYDDAIRFKKHP-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001716763161 1420909749 /nfs/dbraw/zinc/90/97/49/1420909749.db2.gz GAOSFALQIIECHN-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001716763162 1420909785 /nfs/dbraw/zinc/90/97/85/1420909785.db2.gz GAOSFALQIIECHN-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001716768875 1420913875 /nfs/dbraw/zinc/91/38/75/1420913875.db2.gz HMKXEXSDQGLMQS-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001716779858 1420918599 /nfs/dbraw/zinc/91/85/99/1420918599.db2.gz IZHTXLNPMHGSEC-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001716798803 1420931911 /nfs/dbraw/zinc/93/19/11/1420931911.db2.gz GIXUGYDXKDCMMH-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1)c1ccccc1 ZINC001716825191 1420951378 /nfs/dbraw/zinc/95/13/78/1420951378.db2.gz SHEOTCFRSJGZBJ-PXNSSMCTSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975955 1421059178 /nfs/dbraw/zinc/05/91/78/1421059178.db2.gz VIBOUUZKQIHURD-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001716995204 1421065108 /nfs/dbraw/zinc/06/51/08/1421065108.db2.gz NVJNAXAEYVDHQC-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC(C)(C)C)C[C@H]21 ZINC001717043223 1421097275 /nfs/dbraw/zinc/09/72/75/1421097275.db2.gz ZXCQUAYNPIYSEZ-ZWKOTPCHSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC001717117077 1421121432 /nfs/dbraw/zinc/12/14/32/1421121432.db2.gz ZUXDIRUALPICFD-VQIMIIECSA-N 2 0 349.494 3.186 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001717121571 1421124934 /nfs/dbraw/zinc/12/49/34/1421124934.db2.gz FZIKYWOSDWDBTM-LQJWVLPZSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)[C@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001717129142 1421130233 /nfs/dbraw/zinc/13/02/33/1421130233.db2.gz ZZBRXJBSKBFRQL-QGZVFWFLSA-N 2 0 346.519 3.093 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001717159398 1421148925 /nfs/dbraw/zinc/14/89/25/1421148925.db2.gz GKQHHMKFNSLRSQ-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001717159553 1421149479 /nfs/dbraw/zinc/14/94/79/1421149479.db2.gz KHIUBSCJDGEXHY-MSOLQXFVSA-N 2 0 349.563 3.458 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCCC2)CCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001717161911 1421152253 /nfs/dbraw/zinc/15/22/53/1421152253.db2.gz UKJCOQOLNSKFNA-FQEVSTJZSA-N 2 0 347.547 3.071 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717196511 1421162888 /nfs/dbraw/zinc/16/28/88/1421162888.db2.gz FXYQYPAQEHRIMF-RTLBZRNLSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CC[C@@H](C)C3)C2)C1 ZINC001733287466 1429462285 /nfs/dbraw/zinc/46/22/85/1429462285.db2.gz FXGLXLHOEYUKNY-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717238380 1421206378 /nfs/dbraw/zinc/20/63/78/1421206378.db2.gz TYDYWOWDSJGBEF-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCC1 ZINC001717313466 1421258837 /nfs/dbraw/zinc/25/88/37/1421258837.db2.gz UQVJYKNCNDZOMG-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCC1 ZINC001717313467 1421259184 /nfs/dbraw/zinc/25/91/84/1421259184.db2.gz UQVJYKNCNDZOMG-RTBURBONSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001717339131 1421277278 /nfs/dbraw/zinc/27/72/78/1421277278.db2.gz MMZWAPQRYKCRAS-LSLCWXNRSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001717339132 1421277521 /nfs/dbraw/zinc/27/75/21/1421277521.db2.gz MMZWAPQRYKCRAS-OJBOGMDESA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001717356166 1421291012 /nfs/dbraw/zinc/29/10/12/1421291012.db2.gz OTMNXVBCOGGKFG-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717375464 1421316649 /nfs/dbraw/zinc/31/66/49/1421316649.db2.gz YIJLHLJHLIJCRG-RBUKOAKNSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H]([NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001717384455 1421325955 /nfs/dbraw/zinc/32/59/55/1421325955.db2.gz HKWFTOPNOYTGPU-NLPFYKDJSA-N 2 0 343.515 3.106 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)[N@H+](C)CCC1CCCCCC1 ZINC001717472085 1421405068 /nfs/dbraw/zinc/40/50/68/1421405068.db2.gz IFMUQODWKVIXSE-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001733297188 1429479884 /nfs/dbraw/zinc/47/98/84/1429479884.db2.gz OEIGLTWAJQJLMQ-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001717643235 1421547135 /nfs/dbraw/zinc/54/71/35/1421547135.db2.gz AVEXUVZGUMDRRY-WGSAOQKQSA-N 2 0 347.547 3.070 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695336 1421569777 /nfs/dbraw/zinc/56/97/77/1421569777.db2.gz FOHRALSDRDFOEL-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001717701374 1421574699 /nfs/dbraw/zinc/57/46/99/1421574699.db2.gz BKGXYCLBESWGBJ-IBGZPJMESA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001717745642 1421608823 /nfs/dbraw/zinc/60/88/23/1421608823.db2.gz ZPJZFVRTCKZEDQ-ZWKOTPCHSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001717758606 1421621323 /nfs/dbraw/zinc/62/13/23/1421621323.db2.gz YGTJGFPKPLTSHC-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001717840998 1421656210 /nfs/dbraw/zinc/65/62/10/1421656210.db2.gz MSFGVNGLWUOHEC-NSHGMRRFSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001717856635 1421668788 /nfs/dbraw/zinc/66/87/88/1421668788.db2.gz VZXYKLWIJBPJLC-HKUYNNGSSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001717858749 1421671411 /nfs/dbraw/zinc/67/14/11/1421671411.db2.gz YELDPZIKDHSBOJ-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1C ZINC001717860129 1421672727 /nfs/dbraw/zinc/67/27/27/1421672727.db2.gz HRCKEYXXZUTXSP-QUCCMNQESA-N 2 0 345.531 3.196 10 0 EGAERP CCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001717888143 1421689121 /nfs/dbraw/zinc/68/91/21/1421689121.db2.gz YVGFGAWPMCGZMG-APWZRJJASA-N 2 0 331.504 3.036 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959829 1421731269 /nfs/dbraw/zinc/73/12/69/1421731269.db2.gz INGHBJJUMPQCFG-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001717985373 1421757955 /nfs/dbraw/zinc/75/79/55/1421757955.db2.gz HPFVBMRHFMOIDY-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[C@H](C(=O)NCC1=CC[N@H+](CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001718033436 1421785490 /nfs/dbraw/zinc/78/54/90/1421785490.db2.gz KEPDQSHTTMFKIR-HXUWFJFHSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001733348090 1429529435 /nfs/dbraw/zinc/52/94/35/1429529435.db2.gz XKDPOYCALHKVAP-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)cc1 ZINC001733349331 1429530573 /nfs/dbraw/zinc/53/05/73/1429530573.db2.gz HOKYLDGGSNOUFZ-IBGZPJMESA-N 2 0 345.531 3.379 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001733389968 1429579096 /nfs/dbraw/zinc/57/90/96/1429579096.db2.gz CBXVVOPHQAYOLJ-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406032 1429603174 /nfs/dbraw/zinc/60/31/74/1429603174.db2.gz LCDSXFJZVMHQCR-MJGOQNOKSA-N 2 0 349.544 3.012 10 0 EGAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733414061 1429617201 /nfs/dbraw/zinc/61/72/01/1429617201.db2.gz XDDCEOWGCSQQFP-ICSRJNTNSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001733451111 1429663083 /nfs/dbraw/zinc/66/30/83/1429663083.db2.gz GNDJZGQMUFLMQA-KRWDZBQOSA-N 2 0 339.568 3.229 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@]1(C)CCC[N@H+](CC2=CCCCC2)C1 ZINC001733461992 1429688998 /nfs/dbraw/zinc/68/89/98/1429688998.db2.gz LCZANMGABCPUHB-NRFANRHFSA-N 2 0 349.563 3.437 10 0 EGAERP CN(CCC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001723052783 1424293416 /nfs/dbraw/zinc/29/34/16/1424293416.db2.gz SDIQQOAIGMANOA-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CN(CCC[NH2+]CCC1CC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723101109 1424300582 /nfs/dbraw/zinc/30/05/82/1424300582.db2.gz LMZVOOLFRHLHOC-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001723439942 1424405528 /nfs/dbraw/zinc/40/55/28/1424405528.db2.gz RRFDHQUXRYPVSC-GOSISDBHSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)CC[NH+]2CCCCC2)CC1)c1ccccc1F ZINC001723595753 1424481976 /nfs/dbraw/zinc/48/19/76/1424481976.db2.gz VEWYPOVYRAZQDP-INIZCTEOSA-N 2 0 347.478 3.001 10 0 EGAERP CC(C)C[N@H+](CCNC(=O)C[NH+](C)C(C)C)C1CCCCCC1 ZINC001723641059 1424509199 /nfs/dbraw/zinc/50/91/99/1424509199.db2.gz WSHXMEAGGSXHFO-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001723859869 1424588460 /nfs/dbraw/zinc/58/84/60/1424588460.db2.gz HHGJIBHABDGONF-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001723907093 1424602970 /nfs/dbraw/zinc/60/29/70/1424602970.db2.gz ZVGFHRSTSPVFPS-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC(C)(C)C1)[NH+](CC)CC ZINC001723968655 1424614343 /nfs/dbraw/zinc/61/43/43/1424614343.db2.gz CLRROUMTQXRXLU-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173008 1424706666 /nfs/dbraw/zinc/70/66/66/1424706666.db2.gz GVIAJEZUXXSEKU-CTNGQTDRSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@@H]([NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001724266370 1424764003 /nfs/dbraw/zinc/76/40/03/1424764003.db2.gz FASLCRSVNQGFFN-TZIWHRDSSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@H]([NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001724266368 1424764133 /nfs/dbraw/zinc/76/41/33/1424764133.db2.gz FASLCRSVNQGFFN-FPOVZHCZSA-N 2 0 343.515 3.062 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(CNC(=O)CCC[NH+]2CCCC2)CC1 ZINC001724306621 1424789413 /nfs/dbraw/zinc/78/94/13/1424789413.db2.gz ICUUKFVOPBWXBG-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001724313817 1424797252 /nfs/dbraw/zinc/79/72/52/1424797252.db2.gz PPHTWZWTNCJTOB-KQPGTDLCSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724531708 1424896645 /nfs/dbraw/zinc/89/66/45/1424896645.db2.gz LFQQFELZYGHGQT-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724537635 1424900638 /nfs/dbraw/zinc/90/06/38/1424900638.db2.gz BPICWICPHMKHRJ-IEBWSBKVSA-N 2 0 345.531 3.031 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001724609655 1424947672 /nfs/dbraw/zinc/94/76/72/1424947672.db2.gz ZXJHRWPEMODQEY-OALUTQOASA-N 2 0 349.563 3.149 10 0 EGAERP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001724613857 1424957460 /nfs/dbraw/zinc/95/74/60/1424957460.db2.gz OQRBHXDMZMGSNS-CWIIOTMOSA-N 2 0 349.563 3.288 10 0 EGAERP CC(C)[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724616227 1424964189 /nfs/dbraw/zinc/96/41/89/1424964189.db2.gz WKWZPCOEPBQOQB-FHWLQOOXSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)=CC[NH2+]CCN(Cc1ccccc1)C(=O)C1([NH+](C)C)CCC1 ZINC001733570233 1429773363 /nfs/dbraw/zinc/77/33/63/1429773363.db2.gz WCIMEVIDFAIYEV-UHFFFAOYSA-N 2 0 343.515 3.055 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001724742483 1425108711 /nfs/dbraw/zinc/10/87/11/1425108711.db2.gz AMEUQJSDYHLPAK-QFBILLFUSA-N 2 0 343.515 3.095 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)C[C@H]2C1 ZINC001733574423 1429777257 /nfs/dbraw/zinc/77/72/57/1429777257.db2.gz UAFBZXACOOFGNK-KDURUIRLSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]([NH2+]Cc1ccsc1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001724748945 1425118512 /nfs/dbraw/zinc/11/85/12/1425118512.db2.gz LOYRGCJDTJNZGY-HNNXBMFYSA-N 2 0 345.512 3.167 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC001724750164 1425119814 /nfs/dbraw/zinc/11/98/14/1425119814.db2.gz RHPWGIWULSHTGO-APWZRJJASA-N 2 0 349.494 3.043 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)CC1 ZINC001724754258 1425125071 /nfs/dbraw/zinc/12/50/71/1425125071.db2.gz AYWLYPQKHHJWRZ-MXVIHJGJSA-N 2 0 349.563 3.317 10 0 EGAERP CCC1([NH2+]CCCF)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001724889417 1425275222 /nfs/dbraw/zinc/27/52/22/1425275222.db2.gz KFDBHLDQODPXAW-UHFFFAOYSA-N 2 0 349.494 3.082 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CCCC1CCC1)C2 ZINC001724924073 1425312895 /nfs/dbraw/zinc/31/28/95/1425312895.db2.gz SSFAQVWFBJFWRD-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724957890 1425344920 /nfs/dbraw/zinc/34/49/20/1425344920.db2.gz ZNYURLGEKKJEPI-LSLCWXNRSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001724966064 1425358335 /nfs/dbraw/zinc/35/83/35/1425358335.db2.gz LKQWZICGMQDXCV-HPFMTEOYSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001724979010 1425380024 /nfs/dbraw/zinc/38/00/24/1425380024.db2.gz JRDPPIVTCDPVOX-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+][C@@H](CC)c1ccccc1)[NH+](C)C ZINC001725029472 1425449643 /nfs/dbraw/zinc/44/96/43/1425449643.db2.gz JXGXAQGQZHQTFI-SLFFLAALSA-N 2 0 345.531 3.449 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001725054193 1425488737 /nfs/dbraw/zinc/48/87/37/1425488737.db2.gz SVYGOXNSQZMJOF-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001725132975 1425604194 /nfs/dbraw/zinc/60/41/94/1425604194.db2.gz XMGHAXUVQYVEJP-IAGOWNOFSA-N 2 0 339.483 3.045 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1)[NH+](CC)CC ZINC001725139349 1425616712 /nfs/dbraw/zinc/61/67/12/1425616712.db2.gz YDMLULSFJXAIAF-BUBWFTAGSA-N 2 0 343.943 3.219 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725172345 1425682910 /nfs/dbraw/zinc/68/29/10/1425682910.db2.gz LBJNFERCKPTTNT-ZWKOTPCHSA-N 2 0 345.531 3.367 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001725193982 1425744937 /nfs/dbraw/zinc/74/49/37/1425744937.db2.gz IJWYIRHDENYNEM-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001725244701 1425859637 /nfs/dbraw/zinc/85/96/37/1425859637.db2.gz AQFONUUNTNCRLO-LQYUOIDQSA-N 2 0 349.544 3.216 10 0 EGAERP CC(C)c1ccc(C[NH+]2CC([C@@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001725260854 1425890629 /nfs/dbraw/zinc/89/06/29/1425890629.db2.gz TXRBXRBJVHNOLV-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCC2=CCCCC2)CC1(C)C ZINC001725300518 1425948862 /nfs/dbraw/zinc/94/88/62/1425948862.db2.gz UIYFQFJAOZJHHH-GOSISDBHSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001725339304 1425987332 /nfs/dbraw/zinc/98/73/32/1425987332.db2.gz SHBOOOHFFVYKQC-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001725339303 1425987797 /nfs/dbraw/zinc/98/77/97/1425987797.db2.gz SHBOOOHFFVYKQC-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001725420862 1426069028 /nfs/dbraw/zinc/06/90/28/1426069028.db2.gz PXEBQNLNWQVUJH-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001725425446 1426085579 /nfs/dbraw/zinc/08/55/79/1426085579.db2.gz PRYODYZCXLGCEN-SREVYHEPSA-N 2 0 349.563 3.386 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)[C@H](CC)[NH+](C)C)CCC[C@H]12 ZINC001725608116 1426265737 /nfs/dbraw/zinc/26/57/37/1426265737.db2.gz CZCNHRXFBVYJDW-FMXKHTOKSA-N 2 0 335.536 3.186 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]23)C1 ZINC001725612246 1426271349 /nfs/dbraw/zinc/27/13/49/1426271349.db2.gz TYRUHDUXDKGBBT-XVAHUTHZSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001725611659 1426271683 /nfs/dbraw/zinc/27/16/83/1426271683.db2.gz YLDXGSMOELMPMX-NEYJZJCJSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001725615495 1426277229 /nfs/dbraw/zinc/27/72/29/1426277229.db2.gz BDEGMVPNDGXAHJ-PXNSSMCTSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001725629626 1426297165 /nfs/dbraw/zinc/29/71/65/1426297165.db2.gz NCAITGSFSCSWGA-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725656184 1426339400 /nfs/dbraw/zinc/33/94/00/1426339400.db2.gz SUHYLMJEVBEXFN-VGRIIWOTSA-N 2 0 335.536 3.092 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCC2CCCCC2)C(C)(C)C1 ZINC001725673885 1426358585 /nfs/dbraw/zinc/35/85/85/1426358585.db2.gz FQYANJDCFHTPFH-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001725684139 1426371853 /nfs/dbraw/zinc/37/18/53/1426371853.db2.gz YGDUJNIXVADTNU-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H]1CCCc2ccccc21)C(=O)CC[NH+](C)C ZINC001725730298 1426398838 /nfs/dbraw/zinc/39/88/38/1426398838.db2.gz SLIIHMABZZWFNW-HXUWFJFHSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725751785 1426430493 /nfs/dbraw/zinc/43/04/93/1426430493.db2.gz JNNOSHNHMVYRDY-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c1 ZINC001725758619 1426438009 /nfs/dbraw/zinc/43/80/09/1426438009.db2.gz VAZLCZUACCGGFH-PKOBYXMFSA-N 2 0 345.531 3.272 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001725794751 1426480426 /nfs/dbraw/zinc/48/04/26/1426480426.db2.gz OQFLSNBLJBVWPE-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CCC3CCCCC3)CC2)CC1 ZINC001725857924 1426538052 /nfs/dbraw/zinc/53/80/52/1426538052.db2.gz JOSGPAFNKJULLE-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@@H](C)c2cccc(C)c2)CC[N@@H+]1C ZINC001731242704 1427198797 /nfs/dbraw/zinc/19/87/97/1427198797.db2.gz UFHVEEUHUNBAGY-YSIASYRMSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@H]2CC[C@H]3CCCC[NH+]32)cs1 ZINC001731248022 1427201835 /nfs/dbraw/zinc/20/18/35/1427201835.db2.gz IPRYMYRZOKWFSY-QZTJIDSGSA-N 2 0 349.544 3.012 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CCC1CC1 ZINC001731261415 1427210104 /nfs/dbraw/zinc/21/01/04/1427210104.db2.gz UPBHPDVOYQEBBC-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCCNC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001731277511 1427222393 /nfs/dbraw/zinc/22/23/93/1427222393.db2.gz IEGCYUNZTZRKLM-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001731286100 1427229362 /nfs/dbraw/zinc/22/93/62/1427229362.db2.gz FSWUBWITALCYKR-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001731366445 1427298251 /nfs/dbraw/zinc/29/82/51/1427298251.db2.gz YONNNEGRTZDSIV-UHFFFAOYSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001731378811 1427314372 /nfs/dbraw/zinc/31/43/72/1427314372.db2.gz RYQXFNNWOUZUOO-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391598 1427343693 /nfs/dbraw/zinc/34/36/93/1427343693.db2.gz HMQSNAVDHQPFHE-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1)[NH+]1CCCC1 ZINC001731401931 1427362355 /nfs/dbraw/zinc/36/23/55/1427362355.db2.gz LRIGTZYVPFMYLG-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001731419272 1427394579 /nfs/dbraw/zinc/39/45/79/1427394579.db2.gz PTRNEIHZMHJAFF-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731503498 1427487152 /nfs/dbraw/zinc/48/71/52/1427487152.db2.gz MIXWVDAWFBKNHD-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001731545769 1427562988 /nfs/dbraw/zinc/56/29/88/1427562988.db2.gz CTWJKYHQSXPYCV-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC=C(C)C ZINC001731551089 1427571190 /nfs/dbraw/zinc/57/11/90/1427571190.db2.gz JLZZYISVGJWQFX-MOPGFXCFSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001731559965 1427593641 /nfs/dbraw/zinc/59/36/41/1427593641.db2.gz TZIFLHMLXJSHBK-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001731591460 1427633315 /nfs/dbraw/zinc/63/33/15/1427633315.db2.gz FYWBIBXPTIEYDM-FXAWDEMLSA-N 2 0 345.531 3.277 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCC(C)(C)C ZINC001731599862 1427642508 /nfs/dbraw/zinc/64/25/08/1427642508.db2.gz GEDJKSCNQOCVIB-HNNXBMFYSA-N 2 0 325.541 3.170 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001731701455 1427753515 /nfs/dbraw/zinc/75/35/15/1427753515.db2.gz WHDIIHYCZSDZBS-UXHICEINSA-N 2 0 347.547 3.092 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001731704668 1427757796 /nfs/dbraw/zinc/75/77/96/1427757796.db2.gz UJOSOBLBBTUNPW-WOJBJXKFSA-N 2 0 349.563 3.460 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001731725187 1427797754 /nfs/dbraw/zinc/79/77/54/1427797754.db2.gz KNBCFDSXXSIJGQ-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)cc1 ZINC001731757160 1427857902 /nfs/dbraw/zinc/85/79/02/1427857902.db2.gz MMWLHWQXLBWLQX-HXUWFJFHSA-N 2 0 343.515 3.133 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)CCC1CCCC1 ZINC001731778109 1427898546 /nfs/dbraw/zinc/89/85/46/1427898546.db2.gz QQGOENJOEMJRON-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001731781944 1427906822 /nfs/dbraw/zinc/90/68/22/1427906822.db2.gz AGBFQGWTSCIMPH-OTWHNJEPSA-N 2 0 345.531 3.143 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CCC(C)(C)C ZINC001731870815 1428127496 /nfs/dbraw/zinc/12/74/96/1428127496.db2.gz PSSITAONHIZPNS-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1)[NH+]1CCCC1 ZINC001733675964 1429871698 /nfs/dbraw/zinc/87/16/98/1429871698.db2.gz JALNEFVIGMCQGA-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001733682759 1429896662 /nfs/dbraw/zinc/89/66/62/1429896662.db2.gz VRVQJIQNNOTMTA-QFBILLFUSA-N 2 0 349.494 3.186 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001733684992 1429900141 /nfs/dbraw/zinc/90/01/41/1429900141.db2.gz SAEFSVKVQZQOEW-KRWDZBQOSA-N 2 0 341.499 3.015 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1 ZINC001733728432 1429958070 /nfs/dbraw/zinc/95/80/70/1429958070.db2.gz WOTWOJOLGWUQEM-CTWPCTMYSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CC3CC4(CCC4)C3)CC2)CCC1 ZINC001733761035 1429976208 /nfs/dbraw/zinc/97/62/08/1429976208.db2.gz NVIWOQJNFYNXHY-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001733763383 1429981516 /nfs/dbraw/zinc/98/15/16/1429981516.db2.gz JNJFBFBQTFDMOM-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001733807860 1430079466 /nfs/dbraw/zinc/07/94/66/1430079466.db2.gz OUWLFQMQIXZDAP-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CCC(C)C)CC1 ZINC001733809771 1430085795 /nfs/dbraw/zinc/08/57/95/1430085795.db2.gz ULEOYPUCSBHWFN-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001733877295 1437704287 /nfs/dbraw/zinc/70/42/87/1437704287.db2.gz CHZCFBUIZTTWIN-OALUTQOASA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001733879570 1437706025 /nfs/dbraw/zinc/70/60/25/1437706025.db2.gz SALDUBWASLMFSN-LIXSYLKWSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC001733880218 1437706934 /nfs/dbraw/zinc/70/69/34/1437706934.db2.gz ZKZBWPYLNOZDBB-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1c2ccccc2CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001733907678 1437725801 /nfs/dbraw/zinc/72/58/01/1437725801.db2.gz UJSNVNXIFNOMBL-PMACEKPBSA-N 2 0 345.531 3.231 10 0 EGAERP C[NH+]1CCC(CC(=O)NC2CC(C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001733955029 1437763689 /nfs/dbraw/zinc/76/36/89/1437763689.db2.gz LAVCSCMTPDVSTK-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733994675 1437789128 /nfs/dbraw/zinc/78/91/28/1437789128.db2.gz UFVLEOKBVOELIQ-SJORKVTESA-N 2 0 339.483 3.045 10 0 EGAERP CC(C)CC[NH2+]C1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001734010694 1437802197 /nfs/dbraw/zinc/80/21/97/1437802197.db2.gz MPEZGRCBOKTRPH-XBMUEBEBSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CC(C)C)CC1)[NH+](CC)CC ZINC001734012415 1437803920 /nfs/dbraw/zinc/80/39/20/1437803920.db2.gz YJJCFAMFYPECET-DAWZGUTISA-N 2 0 325.541 3.122 10 0 EGAERP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734067342 1437862278 /nfs/dbraw/zinc/86/22/78/1437862278.db2.gz XVEMWWDOGXDUFM-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001734067135 1437862354 /nfs/dbraw/zinc/86/23/54/1437862354.db2.gz WOOBGCJBCHDCHR-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001734123614 1437903286 /nfs/dbraw/zinc/90/32/86/1437903286.db2.gz GXBPFSRNUYZFEC-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001734143410 1437912030 /nfs/dbraw/zinc/91/20/30/1437912030.db2.gz STBVBBHBQHCMQZ-JKCVZHOFSA-N 2 0 335.536 3.042 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCCCCC2)CC1(C)C ZINC001734156690 1437922823 /nfs/dbraw/zinc/92/28/23/1437922823.db2.gz YHALKPMAANTPJA-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001734233669 1437951716 /nfs/dbraw/zinc/95/17/16/1437951716.db2.gz LJMOQANRMFJDSK-QUCCMNQESA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001734273223 1438004755 /nfs/dbraw/zinc/00/47/55/1438004755.db2.gz GSHOXFGWQISXJN-LJQANCHMSA-N 2 0 337.552 3.076 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001734339810 1438060804 /nfs/dbraw/zinc/06/08/04/1438060804.db2.gz PSNGTDPTHVFUJZ-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001734436275 1438098307 /nfs/dbraw/zinc/09/83/07/1438098307.db2.gz CMKYOQYQTKLANR-IWFBPKFRSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@H]1C ZINC001734455300 1438112763 /nfs/dbraw/zinc/11/27/63/1438112763.db2.gz DVGXYCSLEDITAD-HKUYNNGSSA-N 2 0 349.563 3.266 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001734490146 1438130351 /nfs/dbraw/zinc/13/03/51/1438130351.db2.gz ZQMCUFBQDNKXKU-UXHICEINSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1(C)C ZINC001734496726 1438132734 /nfs/dbraw/zinc/13/27/34/1438132734.db2.gz RNRGAUMSEKJNIK-IKSUFZCESA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)C[NH+](C)C2CCC2)C(C)C)cc1 ZINC001734550936 1438148309 /nfs/dbraw/zinc/14/83/09/1438148309.db2.gz HGYUIXBBRZQYBD-UHFFFAOYSA-N 2 0 345.531 3.148 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C ZINC001734564211 1438160433 /nfs/dbraw/zinc/16/04/33/1438160433.db2.gz MNEHSYHAMDDBSI-RTBURBONSA-N 2 0 349.563 3.482 10 0 EGAERP CCCCCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001734566932 1438161960 /nfs/dbraw/zinc/16/19/60/1438161960.db2.gz AHAVUDKHSSLBDY-BZSNNMDCSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CCCCCC2)CC1 ZINC001734579686 1438171927 /nfs/dbraw/zinc/17/19/27/1438171927.db2.gz IJOIUZMBDDZCMW-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001734587474 1438177253 /nfs/dbraw/zinc/17/72/53/1438177253.db2.gz MJLWZTAEVVLCQT-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001734626059 1438190977 /nfs/dbraw/zinc/19/09/77/1438190977.db2.gz OOBCWRXBWRWJMI-LJQANCHMSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@@H](C)c2cccc(C)c2)CC1 ZINC001734636902 1438196748 /nfs/dbraw/zinc/19/67/48/1438196748.db2.gz QSJBSGQNGIAXBI-SFHVURJKSA-N 2 0 343.515 3.146 10 0 EGAERP C[NH2+][C@@H](CC[N@H+](C)[C@@H](C)COC)c1ccc(Br)cc1 ZINC000053940786 214205740 /nfs/dbraw/zinc/20/57/40/214205740.db2.gz INDVCIGRYVMHFG-WFASDCNBSA-N 2 0 329.282 3.066 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H]2CCC[C@@H]21 ZINC000375861997 283134649 /nfs/dbraw/zinc/13/46/49/283134649.db2.gz QJUZROVZNKVQSR-UFYCRDLUSA-N 2 0 328.500 3.197 10 0 EGAERP C[C@@H]1CC([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)C[C@@H](C)O1 ZINC000230182043 201044553 /nfs/dbraw/zinc/04/45/53/201044553.db2.gz UUYSRAQLRODBNB-BQLRMLCTSA-N 2 0 328.500 3.443 10 0 EGAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359892556 201116231 /nfs/dbraw/zinc/11/62/31/201116231.db2.gz BUQCLLJHDMMFDJ-OXJNMPFZSA-N 2 0 340.515 3.080 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000249382068 201179190 /nfs/dbraw/zinc/17/91/90/201179190.db2.gz TZYUROYDZPQDOY-CHWSQXEVSA-N 2 0 341.293 3.450 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)[nH]n1 ZINC000230099231 242230572 /nfs/dbraw/zinc/23/05/72/242230572.db2.gz YWDKSTPIWLATPN-FCXXMXSZSA-N 2 0 338.499 3.149 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000106126782 204187070 /nfs/dbraw/zinc/18/70/70/204187070.db2.gz KBZQGPWIUDEQBR-CQSZACIVSA-N 2 0 344.421 3.230 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000130433680 205239542 /nfs/dbraw/zinc/23/95/42/205239542.db2.gz AMXXBVPPZNESBN-PWRODBHTSA-N 2 0 329.532 3.184 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131190504 205277403 /nfs/dbraw/zinc/27/74/03/205277403.db2.gz JSOVPKUPJKJQBO-JBACZVJFSA-N 2 0 329.532 3.186 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnn(C(C)(C)C)c3)C2)[nH+]1 ZINC000092813423 218169647 /nfs/dbraw/zinc/16/96/47/218169647.db2.gz DUNSXBHJZDZPTD-INIZCTEOSA-N 2 0 327.476 3.276 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000268836352 252284350 /nfs/dbraw/zinc/28/43/50/252284350.db2.gz BNALISFYXXGUNB-STZQEDGTSA-N 2 0 338.495 3.090 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@H]1C1CCC1 ZINC000338011224 141072677 /nfs/dbraw/zinc/07/26/77/141072677.db2.gz XBCCLAAAASKUJM-ACRUOGEOSA-N 2 0 328.500 3.312 10 0 EGAERP C[C@@H](c1ccc(F)c(F)c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000171921359 144012678 /nfs/dbraw/zinc/01/26/78/144012678.db2.gz ZTYCLPSJFOETKR-DOTOQJQBSA-N 2 0 337.458 3.128 10 0 EGAERP C[N@H+](CCN1CCC[NH+](C2CCCC2)CC1)Cc1ccc(F)cc1 ZINC000187067365 144151054 /nfs/dbraw/zinc/15/10/54/144151054.db2.gz KTZLMERBDUMYKH-UHFFFAOYSA-N 2 0 333.495 3.208 10 0 EGAERP COCC[C@@H]1CCCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)C1 ZINC000344886621 144236975 /nfs/dbraw/zinc/23/69/75/144236975.db2.gz HKHCREVDTQMMRJ-KRWDZBQOSA-N 2 0 328.460 3.214 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@H](C)C1 ZINC000127131740 286064072 /nfs/dbraw/zinc/06/40/72/286064072.db2.gz AGYQXDKWMPHNJF-QRVBRYPASA-N 2 0 338.536 3.205 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)CCC[NH+](CC)CC)C12CCOCC2 ZINC000249052117 286288058 /nfs/dbraw/zinc/28/80/58/286288058.db2.gz WXIYJHQUMWMOFG-RCCFBDPRSA-N 2 0 326.525 3.061 10 0 EGAERP Cc1c(F)cccc1-c1ccc(C[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)o1 ZINC000115616605 152023682 /nfs/dbraw/zinc/02/36/82/152023682.db2.gz NGLQOAXNOZDCMH-OAHLLOKOSA-N 2 0 345.462 3.120 10 0 EGAERP CCCCNC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000119612750 152217681 /nfs/dbraw/zinc/21/76/81/152217681.db2.gz WLMHEPHBUFIRRI-KRWDZBQOSA-N 2 0 331.504 3.067 10 0 EGAERP FC(F)(F)C(F)(F)COCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000188753842 153032684 /nfs/dbraw/zinc/03/26/84/153032684.db2.gz QSUVOLRMVYGGRU-UHFFFAOYSA-N 2 0 344.368 3.008 10 0 EGAERP CCCn1cc(C[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310280872 154143025 /nfs/dbraw/zinc/14/30/25/154143025.db2.gz WKKFEZBHTQYPMM-YLJYHZDGSA-N 2 0 326.488 3.293 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc3ncsc3c2)CC1 ZINC000337355287 154303814 /nfs/dbraw/zinc/30/38/14/154303814.db2.gz ANRKZXCGALFUCM-INIZCTEOSA-N 2 0 346.544 3.363 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)c1ccccc1 ZINC000112529209 162180815 /nfs/dbraw/zinc/18/08/15/162180815.db2.gz PGABQWYOKWPLCZ-FQEVSTJZSA-N 2 0 338.499 3.464 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccc(F)cc3)cn2)CC1 ZINC000112529171 162181256 /nfs/dbraw/zinc/18/12/56/162181256.db2.gz BBHKNOFXXLLYAX-INIZCTEOSA-N 2 0 342.462 3.213 10 0 EGAERP C[C@H](CCNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000354370750 166011048 /nfs/dbraw/zinc/01/10/48/166011048.db2.gz BPLBSMJAZOSKJU-UYAOXDASSA-N 2 0 345.531 3.278 10 0 EGAERP CCCC[C@@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912069 164063936 /nfs/dbraw/zinc/06/39/36/164063936.db2.gz BUAICBMTCOHHGO-UXHICEINSA-N 2 0 345.531 3.450 10 0 EGAERP CN1CC[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352103369 165236933 /nfs/dbraw/zinc/23/69/33/165236933.db2.gz OAABXSNXFWCSJH-LZQZEXGQSA-N 2 0 337.458 3.174 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccn2)CC[C@H]1NCC[NH+](C)C1CCCCC1 ZINC000360481366 167338867 /nfs/dbraw/zinc/33/88/67/167338867.db2.gz FUNVZMRVEWGESV-GHTZIAJQSA-N 2 0 344.547 3.146 10 0 EGAERP Cn1nccc1[C@@H]1CCC[C@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000366732344 168133751 /nfs/dbraw/zinc/13/37/51/168133751.db2.gz WKHISZKETOKOSM-AEFFLSMTSA-N 2 0 344.478 3.437 10 0 EGAERP COCCOCc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000367298207 168203683 /nfs/dbraw/zinc/20/36/83/168203683.db2.gz BLZUPYQFHBGILT-UHFFFAOYSA-N 2 0 346.515 3.157 10 0 EGAERP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000367551608 168240643 /nfs/dbraw/zinc/24/06/43/168240643.db2.gz LHBVANYDPYGCFX-IPMKNSEASA-N 2 0 332.488 3.099 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCCc3n[nH]cc32)cc1 ZINC000367600844 168248238 /nfs/dbraw/zinc/24/82/38/168248238.db2.gz LGPWNUVMJLASMC-LJQANCHMSA-N 2 0 342.487 3.298 10 0 EGAERP CCC[C@H](NC(=O)CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C)c1ccccc1 ZINC000175721714 265132385 /nfs/dbraw/zinc/13/23/85/265132385.db2.gz ZNYRTUJFRJLTLJ-YSIASYRMSA-N 2 0 345.531 3.306 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1NC(C)=O ZINC000278412993 268007713 /nfs/dbraw/zinc/00/77/13/268007713.db2.gz HVKVULVROFVZHA-AWEZNQCLSA-N 2 0 345.487 3.179 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278576624 268044627 /nfs/dbraw/zinc/04/46/27/268044627.db2.gz XTQOUNFPWCRHAG-GCJKJVERSA-N 3 0 341.543 3.361 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2-c2ccnn2C)[C@H](C)C1 ZINC000351659021 276225497 /nfs/dbraw/zinc/22/54/97/276225497.db2.gz NYYMTTGDFPYJNN-APWZRJJASA-N 2 0 326.488 3.249 10 0 EGAERP Cc1ncc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)s1 ZINC000090418229 302702095 /nfs/dbraw/zinc/70/20/95/302702095.db2.gz PXRKFDIPIFTEAK-OAHLLOKOSA-N 2 0 336.549 3.052 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000122646794 307531655 /nfs/dbraw/zinc/53/16/55/307531655.db2.gz INIFNQGZMQAJNA-SFHVURJKSA-N 3 0 347.547 3.400 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NC1CCC(C[NH+](C)C)CC1)c1ccccc1 ZINC000129745223 307619114 /nfs/dbraw/zinc/61/91/14/307619114.db2.gz JVVVIHAOSDORTI-LYBXBRPPSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1C[C@H]([NH+]2CCOCC2)[C@@H](C)C1 ZINC000248397860 308002140 /nfs/dbraw/zinc/00/21/40/308002140.db2.gz SJJZZWWHTMFSKO-WMZOPIPTSA-N 2 0 325.456 3.009 10 0 EGAERP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000414552050 309088493 /nfs/dbraw/zinc/08/84/93/309088493.db2.gz GLXPJTFUOGHLRG-UWJYYQICSA-N 2 0 348.450 3.478 10 0 EGAERP CCOc1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)ccc1O ZINC000298238094 308596077 /nfs/dbraw/zinc/59/60/77/308596077.db2.gz CAMMPOHFZJDHIB-UHFFFAOYSA-N 2 0 332.419 3.281 10 0 EGAERP COc1cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000414808894 309102836 /nfs/dbraw/zinc/10/28/36/309102836.db2.gz LHSMIUPPFHYKQZ-ZDUSSCGKSA-N 2 0 330.428 3.022 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000414808987 309102930 /nfs/dbraw/zinc/10/29/30/309102930.db2.gz LQBHDNAHRGCGSW-LBPRGKRZSA-N 2 0 332.831 3.421 10 0 EGAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000414863164 309106139 /nfs/dbraw/zinc/10/61/39/309106139.db2.gz WYMOQFKRXXSRKB-HNNXBMFYSA-N 2 0 333.476 3.054 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CCC[C@H]([NH3+])C1 ZINC000414910412 309108819 /nfs/dbraw/zinc/10/88/19/309108819.db2.gz CSBWPWVETUYPRX-SWHYSGLUSA-N 2 0 329.257 3.379 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@H]1C ZINC000414945484 309110681 /nfs/dbraw/zinc/11/06/81/309110681.db2.gz RRSVUCBKYVMAFX-UEKVPHQBSA-N 2 0 329.257 3.107 10 0 EGAERP c1ccc(C[C@@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000415060007 309117546 /nfs/dbraw/zinc/11/75/46/309117546.db2.gz VUMKOQHMKMGEIQ-NUTQKKSESA-N 2 0 341.543 3.204 10 0 EGAERP CC(C)C[C@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415135506 309123087 /nfs/dbraw/zinc/12/30/87/309123087.db2.gz WSFJTTMBGPONTI-UYAOXDASSA-N 2 0 341.503 3.204 10 0 EGAERP FC(F)CN1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377367 309203602 /nfs/dbraw/zinc/20/36/02/309203602.db2.gz CXQNWDPTAJXTBG-OKYOBFRVSA-N 2 0 349.469 3.111 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000420405439 309286702 /nfs/dbraw/zinc/28/67/02/309286702.db2.gz MVXFZVUSFSFVHP-ZVDOUQERSA-N 2 0 340.467 3.105 10 0 EGAERP C[NH+]1CCN(c2ccc(C[NH2+]C3CC4(C3)CCCCC4)cn2)CC1 ZINC000421336622 309318898 /nfs/dbraw/zinc/31/88/98/309318898.db2.gz WZVYBRNJUWBKQW-UHFFFAOYSA-N 2 0 328.504 3.036 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744294 309366294 /nfs/dbraw/zinc/36/62/94/309366294.db2.gz JVKZSQFQDUKXBF-QUCCMNQESA-N 2 0 327.472 3.017 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000422764360 309367229 /nfs/dbraw/zinc/36/72/29/309367229.db2.gz OITPHDKKEKWKIJ-RTWAWAEBSA-N 2 0 349.478 3.273 10 0 EGAERP Fc1cc(F)cc(CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839655 309371335 /nfs/dbraw/zinc/37/13/35/309371335.db2.gz ABIVLOGECFKAFM-ICSRJNTNSA-N 2 0 344.405 3.353 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]CC[C@@H]1C ZINC000422876034 309373312 /nfs/dbraw/zinc/37/33/12/309373312.db2.gz FWGLXTSQGRSORJ-LPHOPBHVSA-N 2 0 326.488 3.473 10 0 EGAERP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422879167 309373607 /nfs/dbraw/zinc/37/36/07/309373607.db2.gz UUQLPDPQXRKHCX-UOVPBQLFSA-N 2 0 348.922 3.214 10 0 EGAERP COc1ccc([C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422962169 309378563 /nfs/dbraw/zinc/37/85/63/309378563.db2.gz FDVAQYDIVBKSDV-ACRUOGEOSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)[NH+](CCCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422988844 309379588 /nfs/dbraw/zinc/37/95/88/309379588.db2.gz ACCLPEWUSZLAIN-FPOVZHCZSA-N 2 0 345.531 3.341 10 0 EGAERP Clc1cccc2c1CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1)C2 ZINC000423053916 309383311 /nfs/dbraw/zinc/38/33/11/309383311.db2.gz BGMPALPFKUSCRY-DFQSSKMNSA-N 2 0 347.934 3.208 10 0 EGAERP COC[C@H](NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423189660 309389775 /nfs/dbraw/zinc/38/97/75/309389775.db2.gz PYIAYTNPBGNTAT-SFHVURJKSA-N 2 0 333.863 3.192 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CC[C@@H]2CCC[NH2+]C2)C3)cc1 ZINC000423257106 309392605 /nfs/dbraw/zinc/39/26/05/309392605.db2.gz HMNOJKSIHXWRLO-WJMWBRGCSA-N 3 0 327.516 3.161 10 0 EGAERP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423293660 309394316 /nfs/dbraw/zinc/39/43/16/309394316.db2.gz RWACETWYXGXVIA-CABCVRRESA-N 2 0 341.455 3.222 10 0 EGAERP Cn1ccc([C@@H]([NH2+]CC2(C)CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423330791 309395441 /nfs/dbraw/zinc/39/54/41/309395441.db2.gz NVCCGUDVMFENPE-KRWDZBQOSA-N 2 0 332.879 3.142 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531366 309405108 /nfs/dbraw/zinc/40/51/08/309405108.db2.gz SPJACLNYBXWUMO-NCPCCUCFSA-N 2 0 332.532 3.325 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425465399 309481677 /nfs/dbraw/zinc/48/16/77/309481677.db2.gz ZLOSMDNGHYJLOK-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000449026554 310030635 /nfs/dbraw/zinc/03/06/35/310030635.db2.gz GGZKPWYYDYTROL-KXBFYZLASA-N 2 0 344.478 3.388 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449057982 310033801 /nfs/dbraw/zinc/03/38/01/310033801.db2.gz FWRBPDODUSJPPP-WIYYLYMNSA-N 2 0 329.532 3.156 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449057979 310033818 /nfs/dbraw/zinc/03/38/18/310033818.db2.gz FWRBPDODUSJPPP-GHTZIAJQSA-N 2 0 329.532 3.156 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449071990 310034859 /nfs/dbraw/zinc/03/48/59/310034859.db2.gz CZRVZQDRAIUNCR-UYAOXDASSA-N 2 0 341.543 3.156 10 0 EGAERP Fc1ccccc1-c1ncc(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000449082685 310035624 /nfs/dbraw/zinc/03/56/24/310035624.db2.gz PAZCZJJKIWGEKG-UHFFFAOYSA-N 2 0 349.475 3.151 10 0 EGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000449149181 310040480 /nfs/dbraw/zinc/04/04/80/310040480.db2.gz MLPMFDWWCPTXCF-GFCCVEGCSA-N 2 0 337.316 3.381 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449166451 310041689 /nfs/dbraw/zinc/04/16/89/310041689.db2.gz CZTBOZXJUJPDFB-UHFFFAOYSA-N 2 0 344.478 3.438 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000449184854 310042953 /nfs/dbraw/zinc/04/29/53/310042953.db2.gz AKYUCEFCGIIRDA-KGVIQGDOSA-N 2 0 341.543 3.154 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000449194762 310043647 /nfs/dbraw/zinc/04/36/47/310043647.db2.gz YEQLZAXXFOVFHP-IHPCNDPISA-N 2 0 330.516 3.223 10 0 EGAERP COCCC1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449197727 310043977 /nfs/dbraw/zinc/04/39/77/310043977.db2.gz XIHPMUABFHFCGQ-GOSISDBHSA-N 2 0 330.516 3.488 10 0 EGAERP Cn1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)c(-c2ccc(F)cc2)n1 ZINC000449200847 310044197 /nfs/dbraw/zinc/04/41/97/310044197.db2.gz HNEFNPMNJACQHZ-UHFFFAOYSA-N 2 0 344.478 3.436 10 0 EGAERP CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449212068 310044812 /nfs/dbraw/zinc/04/48/12/310044812.db2.gz IJAFNSPWSIYDFJ-SJORKVTESA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[S@@](C)=O ZINC000449219166 310045472 /nfs/dbraw/zinc/04/54/72/310045472.db2.gz CLCYWIHTUJUBTH-IVZQSRNASA-N 2 0 330.582 3.412 10 0 EGAERP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449222232 310045687 /nfs/dbraw/zinc/04/56/87/310045687.db2.gz VWNAGVCKCNSTBU-HKUYNNGSSA-N 2 0 335.923 3.203 10 0 EGAERP C[N@H+]1C[C@H]2CN(Cc3cnc(-c4c(F)cccc4F)s3)C[C@H]2C1 ZINC000449285336 310050232 /nfs/dbraw/zinc/05/02/32/310050232.db2.gz DKEHLGDWTVLMMV-TXEJJXNPSA-N 2 0 335.423 3.082 10 0 EGAERP C[C@H](Cc1ccoc1)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000449311661 310052356 /nfs/dbraw/zinc/05/23/56/310052356.db2.gz NGQDRUOXFSCIRG-MRXNPFEDSA-N 2 0 328.456 3.473 10 0 EGAERP C[C@@H]1CC[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C[C@H]1C ZINC000449967327 310096464 /nfs/dbraw/zinc/09/64/64/310096464.db2.gz UDRAXAORHHAGHY-GUDVDZBRSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC3(CCC3)[C@H]2c2ccco2)CC1 ZINC000451867139 310201081 /nfs/dbraw/zinc/20/10/81/310201081.db2.gz YZSHJZJCWYZXPK-LJQANCHMSA-N 2 0 331.504 3.223 10 0 EGAERP COC[C@@H]1CCC[NH+](C[C@@H](C)C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452107913 310212608 /nfs/dbraw/zinc/21/26/08/310212608.db2.gz TWFDRLROTULFBX-OWZKRDHZSA-N 2 0 340.552 3.120 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000453059152 310255072 /nfs/dbraw/zinc/25/50/72/310255072.db2.gz IJYFXGJEYICHJJ-YSFYHYPLSA-N 2 0 341.543 3.361 10 0 EGAERP C[C@H]([NH2+]CCCC1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000453226086 310265349 /nfs/dbraw/zinc/26/53/49/310265349.db2.gz WSLJYBMQNQLGFL-KRWDZBQOSA-N 2 0 334.504 3.484 10 0 EGAERP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000453273250 310268342 /nfs/dbraw/zinc/26/83/42/310268342.db2.gz VNGJIDWYDOTMMO-LSDHHAIUSA-N 2 0 342.430 3.094 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000453393579 310274601 /nfs/dbraw/zinc/27/46/01/310274601.db2.gz VGHLQSTZNJAYOB-XIYVOTBMSA-N 2 0 328.500 3.180 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H](c2ccc(F)cc2)[NH+](C)C)CCCCC1 ZINC000460287121 310581696 /nfs/dbraw/zinc/58/16/96/310581696.db2.gz YAGPIPKWHAIREO-SFHVURJKSA-N 2 0 349.494 3.057 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@@H]3[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000474040182 310784079 /nfs/dbraw/zinc/78/40/79/310784079.db2.gz ZLZRWVRQXQGQMG-HMXCVIKNSA-N 2 0 343.515 3.483 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474894593 310801001 /nfs/dbraw/zinc/80/10/01/310801001.db2.gz SSIISKMFBUNCAW-OAQYLSRUSA-N 2 0 331.548 3.434 10 0 EGAERP CCOc1c(Cl)cc(CN2CC[C@@]3(C2)CCC[NH2+]C3)cc1OC ZINC000516650571 312335463 /nfs/dbraw/zinc/33/54/63/312335463.db2.gz PVFJALLKGVJQDE-SFHVURJKSA-N 2 0 338.879 3.323 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000516822994 312343361 /nfs/dbraw/zinc/34/33/61/312343361.db2.gz KRPBRYDBOFYVQE-UHFFFAOYSA-N 2 0 331.548 3.142 10 0 EGAERP COc1ccc([C@@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C2CC2)cn1 ZINC000527841052 312954840 /nfs/dbraw/zinc/95/48/40/312954840.db2.gz MKLLQKKYZQHEQP-FQEVSTJZSA-N 2 0 349.438 3.220 10 0 EGAERP Cc1cc([C@@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000538099441 314226951 /nfs/dbraw/zinc/22/69/51/314226951.db2.gz YYKBKTGTMYYLHU-YWZLYKJASA-N 2 0 333.495 3.058 10 0 EGAERP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000538545649 314253602 /nfs/dbraw/zinc/25/36/02/314253602.db2.gz XODDIPMEHYWETF-UHOSZYNNSA-N 2 0 345.531 3.225 10 0 EGAERP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000549764398 315103419 /nfs/dbraw/zinc/10/34/19/315103419.db2.gz QVSJLQMKXVMBIS-JKHFOPOESA-N 2 0 336.520 3.493 10 0 EGAERP CC(C)[C@@H]1CC[C@H]1[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000552033082 315190598 /nfs/dbraw/zinc/19/05/98/315190598.db2.gz KOCJJBUEEDYMGP-PWRODBHTSA-N 2 0 329.532 3.389 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000552054247 315193903 /nfs/dbraw/zinc/19/39/03/315193903.db2.gz PVCCZYXVVVYAOS-NRDMVMEKSA-N 2 0 327.516 3.365 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Cl)s1)C(=O)NCC[NH+](C)C ZINC000553912157 315288250 /nfs/dbraw/zinc/28/82/50/315288250.db2.gz GRQIWMRNNVYIBZ-OLZOCXBDSA-N 2 0 345.940 3.145 10 0 EGAERP C/C(=C\c1cccc(C(F)(F)F)c1)C[NH2+]CCOCC[NH+](C)C ZINC000563765868 316065724 /nfs/dbraw/zinc/06/57/24/316065724.db2.gz JEMSYAOLSUSMIR-SDNWHVSQSA-N 2 0 330.394 3.277 10 0 EGAERP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000564863382 316221611 /nfs/dbraw/zinc/22/16/11/316221611.db2.gz JMUITERLRXRZCP-UHFFFAOYSA-N 2 0 333.451 3.069 10 0 EGAERP c1cc2c(cc1CN1CCC[C@@H](C[NH+]3CCCCCC3)C1)C[NH2+]CC2 ZINC000565094441 316264144 /nfs/dbraw/zinc/26/41/44/316264144.db2.gz ZOVZZGJPFCLHJM-FQEVSTJZSA-N 3 0 341.543 3.420 10 0 EGAERP CCC1(C[NH2+]C[C@@H](O)COC(C)C)CC[NH+](Cc2ccccc2)CC1 ZINC000565945905 316392498 /nfs/dbraw/zinc/39/24/98/316392498.db2.gz BQPZABNHHNUSIC-HXUWFJFHSA-N 2 0 348.531 3.054 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000571018876 317139338 /nfs/dbraw/zinc/13/93/38/317139338.db2.gz XXWLBDBNEQTMIS-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP CC[C@@H](c1ccc(F)cc1F)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000172535623 323285377 /nfs/dbraw/zinc/28/53/77/323285377.db2.gz USYIKPPQSBMNSB-KUHUBIRLSA-N 2 0 340.458 3.441 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000578953528 325040030 /nfs/dbraw/zinc/04/00/30/325040030.db2.gz FKNULQHCRQEPMY-OALUTQOASA-N 2 0 329.532 3.013 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CC[C@H](C)C2)CC1 ZINC000578953529 325040064 /nfs/dbraw/zinc/04/00/64/325040064.db2.gz FKNULQHCRQEPMY-RBUKOAKNSA-N 2 0 329.532 3.013 10 0 EGAERP COc1cccc(-c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cs2)c1 ZINC000580315275 325233773 /nfs/dbraw/zinc/23/37/73/325233773.db2.gz ATOJVQHCPPVUIY-IYBDPMFKSA-N 2 0 343.496 3.250 10 0 EGAERP Cc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000623504168 460584668 /nfs/dbraw/zinc/58/46/68/460584668.db2.gz CCHYBIRHCNQCGM-INIZCTEOSA-N 2 0 347.894 3.192 10 0 EGAERP c1ccc(CSCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000600776200 460599247 /nfs/dbraw/zinc/59/92/47/460599247.db2.gz WRJUOIPVZGVKID-IBGZPJMESA-N 2 0 334.529 3.010 10 0 EGAERP CCC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691614 454300244 /nfs/dbraw/zinc/30/02/44/454300244.db2.gz HBDPMVVCVFYKSL-QZTJIDSGSA-N 2 0 345.531 3.455 10 0 EGAERP CCn1c(C[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000062252844 454371114 /nfs/dbraw/zinc/37/11/14/454371114.db2.gz BVZAPLZFVRDXBW-IRXDYDNUSA-N 2 0 344.503 3.035 10 0 EGAERP C[N@@H+](Cc1cncs1)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000121161035 454400186 /nfs/dbraw/zinc/40/01/86/454400186.db2.gz XWPWDAUPTXGULZ-IBGZPJMESA-N 2 0 345.512 3.021 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)COc2ccc(C)cc2)CC1 ZINC000052209208 454661480 /nfs/dbraw/zinc/66/14/80/454661480.db2.gz DYCOCBGTDSZOLU-HXUWFJFHSA-N 2 0 348.531 3.179 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)[C@H](C)C1 ZINC000093638829 454725568 /nfs/dbraw/zinc/72/55/68/454725568.db2.gz QIIGHZROBPETGM-PBHICJAKSA-N 2 0 326.431 3.493 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000151272450 454961989 /nfs/dbraw/zinc/96/19/89/454961989.db2.gz NZGDQHCVXVHYGD-IRXDYDNUSA-N 2 0 342.483 3.346 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000127690805 454988143 /nfs/dbraw/zinc/98/81/43/454988143.db2.gz USOAHBSVUHRXGZ-NEWSRXKRSA-N 2 0 331.504 3.011 10 0 EGAERP COC(=O)c1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2C)c(C)s1 ZINC000152009428 455060940 /nfs/dbraw/zinc/06/09/40/455060940.db2.gz PGGUDVUCOPXKHE-OAHLLOKOSA-N 2 0 333.457 3.013 10 0 EGAERP C[C@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092841 455130822 /nfs/dbraw/zinc/13/08/22/455130822.db2.gz ONGQKBABPGWQLG-DNVCBOLYSA-N 2 0 335.923 3.264 10 0 EGAERP C[C@@H](C[NH2+][C@@H](c1ccc(Cl)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092825 455131174 /nfs/dbraw/zinc/13/11/74/455131174.db2.gz ONGQKBABPGWQLG-HNAYVOBHSA-N 2 0 335.923 3.264 10 0 EGAERP C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000156612126 455138129 /nfs/dbraw/zinc/13/81/29/455138129.db2.gz KDTRLSFNJTWRFW-ROUUACIJSA-N 2 0 333.520 3.152 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)[C@@H](C)C1 ZINC000245415640 455291416 /nfs/dbraw/zinc/29/14/16/455291416.db2.gz DKALSWSVNTVZHW-YOEHRIQHSA-N 2 0 337.895 3.331 10 0 EGAERP C[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C1CC1 ZINC000245670858 455352894 /nfs/dbraw/zinc/35/28/94/455352894.db2.gz HLABVCPMWARIRF-BVPXEZJJSA-N 2 0 327.516 3.254 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C)[C@@H](C)C2)cc1 ZINC000265919022 455406596 /nfs/dbraw/zinc/40/65/96/455406596.db2.gz BOYYSAGWXLJDJL-PXNSSMCTSA-N 2 0 345.531 3.473 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@]2(CO)CCCC(C)(C)C2)cc1 ZINC000623669411 460670976 /nfs/dbraw/zinc/67/09/76/460670976.db2.gz MGVTVBFBWQOCOJ-FQEVSTJZSA-N 2 0 334.504 3.048 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)n1 ZINC000182402616 455507227 /nfs/dbraw/zinc/50/72/27/455507227.db2.gz DHYFKGHBHKNWLX-VQTJNVASSA-N 2 0 339.483 3.118 10 0 EGAERP C[C@@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122947 455562873 /nfs/dbraw/zinc/56/28/73/455562873.db2.gz AMNIKKSRUVHDSA-AHSZXGJYSA-N 2 0 327.516 3.254 10 0 EGAERP c1nc(C[NH2+]CCCC[NH+]2CCC(Cc3ccccc3)CC2)co1 ZINC000192310780 455590159 /nfs/dbraw/zinc/59/01/59/455590159.db2.gz UMDKEASXKFCZRV-UHFFFAOYSA-N 2 0 327.472 3.499 10 0 EGAERP CN(C[C@@H](O)c1ccccc1F)C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247572515 455627166 /nfs/dbraw/zinc/62/71/66/455627166.db2.gz RXORDKFMAWEQNX-GHTZIAJQSA-N 2 0 342.458 3.313 10 0 EGAERP C[N@@H+]1CC[C@@H](NC(=O)c2ccc(-n3ccnc3)cc2)[C@H]1c1ccccc1 ZINC000248050610 455674261 /nfs/dbraw/zinc/67/42/61/455674261.db2.gz NTAZQTCKVYRAGA-WOJBJXKFSA-N 2 0 346.434 3.048 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)Cc2ccc(F)cc2Cl)CC1 ZINC000192736942 455681996 /nfs/dbraw/zinc/68/19/96/455681996.db2.gz WNAPBGICDSHQQV-UHFFFAOYSA-N 2 0 341.902 3.327 10 0 EGAERP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000268973615 455750934 /nfs/dbraw/zinc/75/09/34/455750934.db2.gz ITFHEEHQQHFIFA-ZYSHUDEJSA-N 2 0 328.456 3.122 10 0 EGAERP Cc1ccc(C[C@@H](C)[N@H+](C)C[C@H](O)CN(C)Cc2ccccc2)cc1 ZINC000606540293 460693301 /nfs/dbraw/zinc/69/33/01/460693301.db2.gz GGFPECGJFJTTQV-DENIHFKCSA-N 2 0 340.511 3.351 10 0 EGAERP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249752734 455773468 /nfs/dbraw/zinc/77/34/68/455773468.db2.gz RZWZGUJELPGGSL-FGTMMUONSA-N 2 0 343.515 3.160 10 0 EGAERP [NH3+]CCN(CCc1ccccc1)Cc1c[nH]nc1-c1ccsc1 ZINC000261925767 455973498 /nfs/dbraw/zinc/97/34/98/455973498.db2.gz CDLXDXNAZBZQDO-UHFFFAOYSA-N 2 0 326.469 3.142 10 0 EGAERP O=C(NC1CC[NH+](C2CCC2)CC1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000296815812 456044737 /nfs/dbraw/zinc/04/47/37/456044737.db2.gz CXOCQZHPKKYUCD-UHFFFAOYSA-N 2 0 341.499 3.029 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000280936648 456087828 /nfs/dbraw/zinc/08/78/28/456087828.db2.gz FWWRPFJSVHGTJG-LMCOJAPRSA-N 2 0 344.499 3.218 10 0 EGAERP CCc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297406963 456212328 /nfs/dbraw/zinc/21/23/28/456212328.db2.gz CNZPKKBVSQYGKV-HNNXBMFYSA-N 2 0 336.439 3.404 10 0 EGAERP CC(C)[NH+](CCCNC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)C(C)C ZINC000347660436 456288168 /nfs/dbraw/zinc/28/81/68/456288168.db2.gz WEPNTFMCZIMEMJ-QZTJIDSGSA-N 2 0 340.556 3.057 10 0 EGAERP CC1CC[NH+](C[C@H]2CCCN(Cc3ccc4c(c3)OCCO4)C2)CC1 ZINC000352795796 456317361 /nfs/dbraw/zinc/31/73/61/456317361.db2.gz FPHYQODFICDYAD-LJQANCHMSA-N 2 0 344.499 3.402 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000340470091 456479419 /nfs/dbraw/zinc/47/94/19/456479419.db2.gz ZKVBYRWSUIJPJW-YLJYHZDGSA-N 2 0 341.503 3.078 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000338002709 456650361 /nfs/dbraw/zinc/65/03/61/456650361.db2.gz ZDHOQTRJOFDBNC-LEWJYISDSA-N 2 0 328.500 3.312 10 0 EGAERP CSC1(C[NH2+]C2CC(OCc3ccccc3)C2)CC[NH+](C)CC1 ZINC000353616466 456806195 /nfs/dbraw/zinc/80/61/95/456806195.db2.gz CHWVFAOEWVBVNW-UHFFFAOYSA-N 2 0 334.529 3.151 10 0 EGAERP C[C@H]1CCC[C@H](C)[NH+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000341068201 456813633 /nfs/dbraw/zinc/81/36/33/456813633.db2.gz YUEFINMVKXRLEV-ROUUACIJSA-N 2 0 343.515 3.275 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)CC1 ZINC000348683301 456814879 /nfs/dbraw/zinc/81/48/79/456814879.db2.gz OUHWRIBREMFELY-CNXCKVANSA-N 2 0 335.536 3.066 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@H]2CSC2(C)C)CC1 ZINC000338480948 456831276 /nfs/dbraw/zinc/83/12/76/456831276.db2.gz NPKIYERJNOYMRE-INIZCTEOSA-N 2 0 339.936 3.075 10 0 EGAERP CC(C)(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000353659966 456837019 /nfs/dbraw/zinc/83/70/19/456837019.db2.gz SFZNTKCKOBUETB-UHFFFAOYSA-N 2 0 343.515 3.030 10 0 EGAERP C[N@@H+]1CC[C@@]2(CCN(Cc3ccc(OCc4ccccn4)cc3)C2)C1 ZINC000292091614 456851879 /nfs/dbraw/zinc/85/18/79/456851879.db2.gz GUFVXFZVSJRKHH-OAQYLSRUSA-N 2 0 337.467 3.188 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C)c1ccccc1 ZINC000341435352 456863790 /nfs/dbraw/zinc/86/37/90/456863790.db2.gz RHINONLEEKYKSN-GGPKGHCWSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)(C)NC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354160115 457100619 /nfs/dbraw/zinc/10/06/19/457100619.db2.gz BFOPVGIAYWCFGT-YQQQUEKLSA-N 2 0 343.515 3.076 10 0 EGAERP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(C)cc1 ZINC000347197681 457283877 /nfs/dbraw/zinc/28/38/77/457283877.db2.gz AZUCSHVMBAOBHL-OALUTQOASA-N 2 0 333.520 3.128 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)CCCO)CC1 ZINC000357361737 457472859 /nfs/dbraw/zinc/47/28/59/457472859.db2.gz YNLWISQCNBDZLK-UHFFFAOYSA-N 2 0 347.547 3.107 10 0 EGAERP OC1(C[NH2+][C@@H]2CCc3ccccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397501328 457487589 /nfs/dbraw/zinc/48/75/89/457487589.db2.gz AFRABMWLRPLJJQ-OAQYLSRUSA-N 2 0 336.479 3.291 10 0 EGAERP OC1(C[NH2+]Cc2cccc3[nH]ccc32)CC[NH+](Cc2ccccc2)CC1 ZINC000397551745 457487877 /nfs/dbraw/zinc/48/78/77/457487877.db2.gz WEZWFMHNACSWFX-UHFFFAOYSA-N 2 0 349.478 3.285 10 0 EGAERP Cc1cccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1F ZINC000397513415 457488497 /nfs/dbraw/zinc/48/84/97/457488497.db2.gz ADMWXPFWGCCFDQ-UHFFFAOYSA-N 2 0 342.458 3.251 10 0 EGAERP C[C@]1(C[NH2+]Cc2cnn3ccccc23)CCCN1Cc1ccccc1 ZINC000397849542 457492876 /nfs/dbraw/zinc/49/28/76/457492876.db2.gz GNJFJBBVPYHXQV-OAQYLSRUSA-N 2 0 334.467 3.479 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(O)Cc4ccccc4C3)CC2)C1 ZINC000370620815 457683685 /nfs/dbraw/zinc/68/36/85/457683685.db2.gz XWXDDAIKWAIZIM-DYESRHJHSA-N 2 0 342.527 3.149 10 0 EGAERP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000357788862 457690075 /nfs/dbraw/zinc/69/00/75/457690075.db2.gz DFFWJBCIBKXNDL-HNAYVOBHSA-N 2 0 327.472 3.334 10 0 EGAERP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000357913201 457732450 /nfs/dbraw/zinc/73/24/50/457732450.db2.gz HBXPYOIRKZJAQX-CEXWTWQISA-N 2 0 343.515 3.012 10 0 EGAERP COc1cccc([C@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375236998 457844533 /nfs/dbraw/zinc/84/45/33/457844533.db2.gz LMAMDKWMSASLME-SFHVURJKSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@@H]1C[C@H](NC2CC([NH+]3CCCCC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000376028323 458168482 /nfs/dbraw/zinc/16/84/82/458168482.db2.gz JCWQHMXONMNKAF-PPXMBRMGSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000447723324 458333537 /nfs/dbraw/zinc/33/35/37/458333537.db2.gz OIGSJHIBSCUMQQ-FSZRXZPDSA-N 2 0 345.487 3.272 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459385371 458354869 /nfs/dbraw/zinc/35/48/69/458354869.db2.gz HELDBTVUEDBFCG-QXCFHYIPSA-N 2 0 334.529 3.256 10 0 EGAERP c1[nH+]cn2cc(C[NH2+]Cc3ccc(OC[C@H]4CCCO4)cc3)ccc12 ZINC000459657384 458438285 /nfs/dbraw/zinc/43/82/85/458438285.db2.gz ICDZTCYDDNWWTJ-HXUWFJFHSA-N 2 0 337.423 3.182 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2sccc21 ZINC000423501161 458444648 /nfs/dbraw/zinc/44/46/48/458444648.db2.gz AYVXSXISOFSCND-IDMDMSBLSA-N 2 0 333.545 3.493 10 0 EGAERP Fc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423509060 458445878 /nfs/dbraw/zinc/44/58/78/458445878.db2.gz LFXZCZKCZUCMQF-MHJFOBGBSA-N 2 0 331.479 3.083 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C(C)(C)c1ccccc1 ZINC000423512729 458447666 /nfs/dbraw/zinc/44/76/66/458447666.db2.gz PCSAJDARRVNNOP-KKXNLOMOSA-N 2 0 329.532 3.159 10 0 EGAERP [NH3+]C1(C[NH2+]C2CCC3(CCOCC3)CC2)C2CC3CC(C2)CC1C3 ZINC000423520272 458450209 /nfs/dbraw/zinc/45/02/09/458450209.db2.gz FAFWYKCXBHSVKJ-UHFFFAOYSA-N 2 0 332.532 3.469 10 0 EGAERP COc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C(C)C)cc1 ZINC000423520636 458450429 /nfs/dbraw/zinc/45/04/29/458450429.db2.gz RSESKOZAADWFHB-GRERDSQWSA-N 2 0 345.531 3.198 10 0 EGAERP NC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518960 458450435 /nfs/dbraw/zinc/45/04/35/458450435.db2.gz CVOCRPNTHMLEAK-VQTJNVASSA-N 2 0 327.516 3.148 10 0 EGAERP Clc1ccc2c(c1)CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423523300 458451682 /nfs/dbraw/zinc/45/16/82/458451682.db2.gz VSACTYQCSGCRHM-FAFZWHIHSA-N 2 0 333.907 3.133 10 0 EGAERP COc1cccc2c1CC[C@@H]2[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423529670 458452458 /nfs/dbraw/zinc/45/24/58/458452458.db2.gz QGPZNCHLTAQVDR-IFBLDDPYSA-N 2 0 326.484 3.426 10 0 EGAERP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)C2)CC1 ZINC000373486106 458506306 /nfs/dbraw/zinc/50/63/06/458506306.db2.gz QNORORVPMJTYNX-GYXIZQIFSA-N 2 0 345.453 3.008 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438985010 458637188 /nfs/dbraw/zinc/63/71/88/458637188.db2.gz MEHIEUQCMDCIKW-HNNXBMFYSA-N 2 0 347.503 3.426 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@H](OC(C)C)C1(C)C ZINC000547331834 458721397 /nfs/dbraw/zinc/72/13/97/458721397.db2.gz GNDOHCCJUYKZLY-MSOLQXFVSA-N 2 0 328.460 3.257 10 0 EGAERP C[C@H](N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000530224827 458723947 /nfs/dbraw/zinc/72/39/47/458723947.db2.gz MNQCZWQTLSJSKO-IUIKQTSFSA-N 2 0 330.303 3.326 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532215154 459048696 /nfs/dbraw/zinc/04/86/96/459048696.db2.gz LANVJWVRQCKMHK-HNNXBMFYSA-N 2 0 329.488 3.344 10 0 EGAERP Cc1cc([C@@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC000442887964 459055893 /nfs/dbraw/zinc/05/58/93/459055893.db2.gz CJAZRPSOXWOQSZ-IBGZPJMESA-N 2 0 333.495 3.201 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594495438 459060895 /nfs/dbraw/zinc/06/08/95/459060895.db2.gz SJDHLAGKJGXNLV-LJQANCHMSA-N 2 0 330.472 3.172 10 0 EGAERP COC(=O)c1cc(C[NH2+]CCCC[N@H+]2C[C@H](C)C[C@H](C)C2)c(C)o1 ZINC000594598917 459105197 /nfs/dbraw/zinc/10/51/97/459105197.db2.gz DCXNQUFKTJBLGC-GASCZTMLSA-N 2 0 336.476 3.222 10 0 EGAERP CCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000568050757 459215379 /nfs/dbraw/zinc/21/53/79/459215379.db2.gz DVRHGIGYACLHBQ-XUVXKRRUSA-N 2 0 328.500 3.358 10 0 EGAERP Cc1ccc(C)c([C@H]2C[N@H+](CCCc3cncn3C)[C@@H](C)CO2)c1 ZINC000568527024 459303016 /nfs/dbraw/zinc/30/30/16/459303016.db2.gz OERNYWCFRHZZQJ-FXAWDEMLSA-N 2 0 327.472 3.432 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]CCC3CCCCC3)cn2)CC1 ZINC000483247617 459354088 /nfs/dbraw/zinc/35/40/88/459354088.db2.gz NYTDPZUWUILSDN-UHFFFAOYSA-N 2 0 330.520 3.284 10 0 EGAERP Clc1cccc(-c2noc(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)c1 ZINC000582955594 459457273 /nfs/dbraw/zinc/45/72/73/459457273.db2.gz YKDWSZJTDPAZJK-GOSISDBHSA-N 2 0 346.862 3.008 10 0 EGAERP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000569473940 459458877 /nfs/dbraw/zinc/45/88/77/459458877.db2.gz AAQSHNBEIOJLER-PLMTUMEDSA-N 2 0 344.499 3.021 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CN2CCO[C@H](C(C)C)C2)CC1 ZINC000497162860 459466929 /nfs/dbraw/zinc/46/69/29/459466929.db2.gz OGGGJLUGGGXUMH-NRFANRHFSA-N 2 0 345.531 3.075 10 0 EGAERP Cc1cc(NCC2CC[NH+](C)CC2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000485836057 459472894 /nfs/dbraw/zinc/47/28/94/459472894.db2.gz UUEBFZAVYBADFP-UHFFFAOYSA-N 2 0 335.398 3.320 10 0 EGAERP C[C@H]1CCN(c2ncnc3[nH]c4ccccc4c32)C[C@H]1n1ccnc1 ZINC000583124473 459486603 /nfs/dbraw/zinc/48/66/03/459486603.db2.gz CMWZFFMWSMZJLB-XJKSGUPXSA-N 2 0 332.411 3.395 10 0 EGAERP CCOC(=O)C1CCC([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000592401072 459593773 /nfs/dbraw/zinc/59/37/73/459593773.db2.gz AFTSDLHOHHWIBJ-NBDWZHNGSA-N 2 0 344.499 3.043 10 0 EGAERP C[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C1CC1 ZINC000563119697 459718597 /nfs/dbraw/zinc/71/85/97/459718597.db2.gz FQWGTCULDBBMPT-PKOBYXMFSA-N 2 0 327.516 3.256 10 0 EGAERP COc1cc(C[NH2+]C[C@H]2CCN2C2CCCC2)cc(Cl)c1OC ZINC000527811531 459746970 /nfs/dbraw/zinc/74/69/70/459746970.db2.gz XSNRGOYNAOMUFL-OAHLLOKOSA-N 2 0 338.879 3.464 10 0 EGAERP COc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc1OC(F)F ZINC000527810731 459747587 /nfs/dbraw/zinc/74/75/87/459747587.db2.gz VRNDXORGXDVFCW-HNNXBMFYSA-N 2 0 340.414 3.403 10 0 EGAERP Cc1ccccc1C[C@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501849890 459749615 /nfs/dbraw/zinc/74/96/15/459749615.db2.gz IWNKYYZIDIMNAA-FQEVSTJZSA-N 2 0 331.548 3.274 10 0 EGAERP C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)n(C)n1 ZINC000527859221 459760350 /nfs/dbraw/zinc/76/03/50/459760350.db2.gz NYHBTJMBLSIQDE-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@H]2C)CC1 ZINC000528010527 459795685 /nfs/dbraw/zinc/79/56/85/459795685.db2.gz ZCYBCWZXYGFHNS-ZIKOTGLESA-N 2 0 330.516 3.484 10 0 EGAERP Fc1cccc([C@@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000574995183 459906164 /nfs/dbraw/zinc/90/61/64/459906164.db2.gz ZNFWFQRAALFCIS-FQEVSTJZSA-N 2 0 326.415 3.045 10 0 EGAERP Fc1cccc([C@H]2CN(Cc3ccc4c(c3)C[NH2+]CC4)CCO2)c1 ZINC000574995184 459906479 /nfs/dbraw/zinc/90/64/79/459906479.db2.gz ZNFWFQRAALFCIS-HXUWFJFHSA-N 2 0 326.415 3.045 10 0 EGAERP COC(=O)c1cc(CN2CCC[C@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613904 459994934 /nfs/dbraw/zinc/99/49/34/459994934.db2.gz PYQIRRRWGAKXIW-RDJZCZTQSA-N 2 0 348.487 3.461 10 0 EGAERP CCn1nccc1CC[N@@H+]1CCCC[C@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000621775029 460060041 /nfs/dbraw/zinc/06/00/41/460060041.db2.gz DBSYJIUFRWQURE-CTNGQTDRSA-N 2 0 340.515 3.118 10 0 EGAERP c1n[nH]cc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000598037002 460149348 /nfs/dbraw/zinc/14/93/48/460149348.db2.gz XEEXAMCQILNNHJ-UHFFFAOYSA-N 2 0 326.488 3.234 10 0 EGAERP CCO[C@@H](C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1)C1CC1 ZINC000625415213 460166212 /nfs/dbraw/zinc/16/62/12/460166212.db2.gz RZVZXMIUPYLBOP-FQEVSTJZSA-N 2 0 325.456 3.172 10 0 EGAERP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@H]2CCC[C@H]21 ZINC000599654136 460299810 /nfs/dbraw/zinc/29/98/10/460299810.db2.gz LWEWAAZNJDPIIB-OTWHNJEPSA-N 2 0 339.439 3.036 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(C2CCC2)cc1)CN1CC[NH+](C)CC1 ZINC000631574739 460450896 /nfs/dbraw/zinc/45/08/96/460450896.db2.gz FGDWVIWZRKWHNQ-QZTJIDSGSA-N 2 0 329.532 3.488 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)CC1(C)C ZINC000623385977 460520984 /nfs/dbraw/zinc/52/09/84/460520984.db2.gz FOIRIHGSNOMBPP-KRWDZBQOSA-N 3 0 335.561 3.423 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000631705228 460525504 /nfs/dbraw/zinc/52/55/04/460525504.db2.gz ZKIRVXJYMDOFED-OFLPRAFFSA-N 2 0 326.431 3.035 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@H]2CC[NH+](CCc3ccccc3)C2)CC1(C)C ZINC000623400610 460528681 /nfs/dbraw/zinc/52/86/81/460528681.db2.gz ZPJIEKWXKYHZSM-WOJBJXKFSA-N 2 0 329.532 3.013 10 0 EGAERP c1c[nH]c([C@H]2CCCN(c3nccc(N4Cc5ccccc5C4)n3)C2)n1 ZINC000623934104 460784624 /nfs/dbraw/zinc/78/46/24/460784624.db2.gz BKZYAPXHOSSPEL-KRWDZBQOSA-N 2 0 346.438 3.104 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000629529918 460797819 /nfs/dbraw/zinc/79/78/19/460797819.db2.gz QKNSWMNZFVBXCF-GOSISDBHSA-N 2 0 336.838 3.394 10 0 EGAERP C[C@@H]([NH2+]CCOCCC[NH3+])[C@@H](C)Oc1ccc(Cl)cc1Cl ZINC000629538687 460801258 /nfs/dbraw/zinc/80/12/58/460801258.db2.gz MTVJIGQEFWSFCJ-VXGBXAGGSA-N 2 0 335.275 3.104 10 0 EGAERP C(c1nc(C2CCCCC2)no1)C1CC[NH+](C[C@@H]2CCC[NH2+]C2)CC1 ZINC000629549579 460804611 /nfs/dbraw/zinc/80/46/11/460804611.db2.gz JYXITFRMOISBEJ-QGZVFWFLSA-N 2 0 346.519 3.371 10 0 EGAERP COc1ccc(C(C)C)cc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000629591968 460818848 /nfs/dbraw/zinc/81/88/48/460818848.db2.gz WSSKBFRYRKZSNQ-FQEVSTJZSA-N 2 0 346.515 3.409 10 0 EGAERP C[NH2+][C@H](CO)c1cccc(-c2cc(C[NH+]3CCCC3)ccc2F)c1 ZINC000629703145 460877488 /nfs/dbraw/zinc/87/74/88/460877488.db2.gz ZWXCDGLKRLFHEF-HXUWFJFHSA-N 2 0 328.431 3.341 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(CC)[C@H]2CC[NH+](C)C2)cc1 ZINC000617556030 460905885 /nfs/dbraw/zinc/90/58/85/460905885.db2.gz IHQDBKRUNVZTCY-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621378040 461014540 /nfs/dbraw/zinc/01/45/40/461014540.db2.gz MKUTZNXJRORJLA-KRWDZBQOSA-N 2 0 337.458 3.354 10 0 EGAERP Cc1ccc([C@@H](C)C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000628164594 461026547 /nfs/dbraw/zinc/02/65/47/461026547.db2.gz VSJYKBPMCRYVEV-FPOVZHCZSA-N 2 0 329.532 3.200 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000617930172 461030110 /nfs/dbraw/zinc/03/01/10/461030110.db2.gz YGIJFJWLOFZEIQ-FQEVSTJZSA-N 2 0 345.531 3.473 10 0 EGAERP c1ccc(N2CC[C@H](C[NH+]3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000637889257 461105319 /nfs/dbraw/zinc/10/53/19/461105319.db2.gz LCAYTFVURDTWLS-LJQANCHMSA-N 2 0 327.516 3.463 10 0 EGAERP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249735 461141264 /nfs/dbraw/zinc/14/12/64/461141264.db2.gz YZXSHESYEPJJJD-OALUTQOASA-N 2 0 330.472 3.133 10 0 EGAERP CC[N@@H+](Cc1ccc(Cl)c(Cl)c1)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662254107 461144925 /nfs/dbraw/zinc/14/49/25/461144925.db2.gz ZVUDMDOULCGNKJ-ZDUSSCGKSA-N 2 0 329.271 3.336 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280059 461162401 /nfs/dbraw/zinc/16/24/01/461162401.db2.gz BXDSYFNLKRIEJM-CZUORRHYSA-N 2 0 326.843 3.287 10 0 EGAERP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662293663 461169496 /nfs/dbraw/zinc/16/94/96/461169496.db2.gz HNVXQROFHNJKKQ-GDBMZVCRSA-N 2 0 349.906 3.379 10 0 EGAERP C[C@@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293665 461170394 /nfs/dbraw/zinc/17/03/94/461170394.db2.gz HNVXQROFHNJKKQ-HOCLYGCPSA-N 2 0 349.906 3.379 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc3c(c2)[C@H](C[NH3+])CCC3)cc1 ZINC000659293864 461278881 /nfs/dbraw/zinc/27/88/81/461278881.db2.gz YXFKTVNKWXGJSV-KUHUBIRLSA-N 2 0 337.467 3.015 10 0 EGAERP CC(C)(C)[C@@H]1C[C@@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CS1 ZINC000668488584 461303308 /nfs/dbraw/zinc/30/33/08/461303308.db2.gz BZQOCQCOPNQPEK-QYZOEREBSA-N 2 0 348.556 3.263 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662595930 461312189 /nfs/dbraw/zinc/31/21/89/461312189.db2.gz HGLPAQSVPHWLRC-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP COc1cccc([C@]2(C)CC[N@H+](Cc3ccnn3-c3ccncc3)C2)c1 ZINC000668599714 461349004 /nfs/dbraw/zinc/34/90/04/461349004.db2.gz YEWWHKWCVVJPMX-OAQYLSRUSA-N 2 0 348.450 3.440 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655701763 461374458 /nfs/dbraw/zinc/37/44/58/461374458.db2.gz ZLNCKRQSOCSILU-RTBURBONSA-N 2 0 347.572 3.463 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000655804460 461464557 /nfs/dbraw/zinc/46/45/57/461464557.db2.gz ZCBQDCCEPMUSMH-UMNHJUIQSA-N 2 0 329.307 3.428 10 0 EGAERP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cnn1-c1ccc(F)cc1 ZINC000655805308 461466311 /nfs/dbraw/zinc/46/63/11/461466311.db2.gz FUKHBFAOZTUOJP-SIIHOXLZSA-N 2 0 330.451 3.311 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000655806027 461466423 /nfs/dbraw/zinc/46/64/23/461466423.db2.gz XDKYXLROMFKKRH-BIRZXAFVSA-N 3 0 341.543 3.217 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)C1 ZINC000653108163 461505353 /nfs/dbraw/zinc/50/53/53/461505353.db2.gz KVVZKUZLBZAAGF-XPGWFJOJSA-N 2 0 341.499 3.388 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCc2c(F)cccc2F)C1 ZINC000655941818 461546806 /nfs/dbraw/zinc/54/68/06/461546806.db2.gz DGXPIBPCUKSPJP-NIKGAXFTSA-N 2 0 338.442 3.258 10 0 EGAERP Cc1ncn(CCCCc2noc(CCc3cncc(C)c3)n2)c1C ZINC000656039600 461572711 /nfs/dbraw/zinc/57/27/11/461572711.db2.gz VWAMKEZKYWDMMZ-UHFFFAOYSA-N 2 0 339.443 3.394 10 0 EGAERP COc1ccccc1N1CCC([NH2+]CCC[N@H+](C)CC(C)C)CC1 ZINC000631167632 461606822 /nfs/dbraw/zinc/60/68/22/461606822.db2.gz OJBFEKOZQUWYEP-UHFFFAOYSA-N 2 0 333.520 3.232 10 0 EGAERP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H]2O)CC1)c1ccncc1 ZINC000647294848 461620220 /nfs/dbraw/zinc/62/02/20/461620220.db2.gz PXWRXZYNKFPXCH-UFYCRDLUSA-N 2 0 331.504 3.136 10 0 EGAERP COc1ccc(OCc2ccccn2)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c1 ZINC000663500065 461673584 /nfs/dbraw/zinc/67/35/84/461673584.db2.gz NEDSYRRLAJHISV-LJQANCHMSA-N 2 0 343.471 3.132 10 0 EGAERP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480310 461728376 /nfs/dbraw/zinc/72/83/76/461728376.db2.gz JFZUPPNODXCHSC-SESVDKBCSA-N 2 0 344.499 3.208 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOCC2CC2)cc1 ZINC000656407797 461737274 /nfs/dbraw/zinc/73/72/74/461737274.db2.gz HJPCMOLCVRYBJJ-LRSLUSHPSA-N 2 0 340.511 3.255 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC000663671241 461747584 /nfs/dbraw/zinc/74/75/84/461747584.db2.gz PXVABGYZSHZZLA-HNNXBMFYSA-N 2 0 343.471 3.420 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666878532 461848821 /nfs/dbraw/zinc/84/88/21/461848821.db2.gz JHVAFOAMLKRIFU-FOIQADDNSA-N 2 0 328.431 3.492 10 0 EGAERP C[C@@H]1C[C@@H](C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710098 461903869 /nfs/dbraw/zinc/90/38/69/461903869.db2.gz DMWRIBUZYTXJGP-CABCVRRESA-N 2 0 329.419 3.491 10 0 EGAERP [NH3+]CC1(CC[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)CC1 ZINC000650713619 461906929 /nfs/dbraw/zinc/90/69/29/461906929.db2.gz XZOGGZGQCXIFFM-UHFFFAOYSA-N 2 0 339.886 3.162 10 0 EGAERP CCO[C@@H]1C[N@H+](Cc2ccc(-c3ccccc3OC)cc2)C[C@H]1C[NH3+] ZINC000650714426 461907048 /nfs/dbraw/zinc/90/70/48/461907048.db2.gz CHTNRIPNDOMNLY-WIYYLYMNSA-N 2 0 340.467 3.158 10 0 EGAERP CC[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874090 461911037 /nfs/dbraw/zinc/91/10/37/461911037.db2.gz AWYSCRGEASISFR-XRALVEFGSA-N 2 0 338.536 3.417 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cccc(Br)c1OC ZINC000650720094 461913030 /nfs/dbraw/zinc/91/30/30/461913030.db2.gz DZXLAGVAFCEVMQ-UHFFFAOYSA-N 2 0 349.272 3.467 10 0 EGAERP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)cc2cccnc12 ZINC000650723516 461916426 /nfs/dbraw/zinc/91/64/26/461916426.db2.gz PMTPGQLSJMLUIM-VAMGGRTRSA-N 2 0 339.483 3.404 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000650758369 461938561 /nfs/dbraw/zinc/93/85/61/461938561.db2.gz OBPDTWBBSZKRSB-PGRDOPGGSA-N 3 0 337.511 3.406 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)Nc1ncnc2c3ccccc3oc21 ZINC000664196092 461976519 /nfs/dbraw/zinc/97/65/19/461976519.db2.gz GQXXSSIHTBOXKM-AWEZNQCLSA-N 2 0 341.459 3.060 10 0 EGAERP COc1ccc2[nH+]c3c(c(N(C)CC4C[NH+](C)C4)c2c1)CCCC3 ZINC000664328994 462021458 /nfs/dbraw/zinc/02/14/58/462021458.db2.gz IGZFGZOPPLHGFE-UHFFFAOYSA-N 2 0 325.456 3.120 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657298834 462026979 /nfs/dbraw/zinc/02/69/79/462026979.db2.gz XORGNVDBFOWCNU-UHFFFAOYSA-N 3 0 349.482 3.399 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657309193 462034320 /nfs/dbraw/zinc/03/43/20/462034320.db2.gz BQGUAZXCBPORPZ-SFHVURJKSA-N 2 0 329.532 3.460 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNCc2cc3n(n2)CCC3)C1 ZINC000657311604 462036980 /nfs/dbraw/zinc/03/69/80/462036980.db2.gz PHGTYEQEIMPBRW-QGZVFWFLSA-N 2 0 338.499 3.351 10 0 EGAERP CCCCO[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657387160 462089900 /nfs/dbraw/zinc/08/99/00/462089900.db2.gz RWVQRHMGPIDKRU-ZWKOTPCHSA-N 2 0 328.460 3.341 10 0 EGAERP c1csc([C@H]2C[C@H]([NH2+]Cc3ccnn3-c3cc[nH+]cc3)CCO2)c1 ZINC000657485783 462152468 /nfs/dbraw/zinc/15/24/68/462152468.db2.gz NCQKUIAKFYWERY-RHSMWYFYSA-N 2 0 340.452 3.339 10 0 EGAERP Fc1c(Cl)cccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536237 462170397 /nfs/dbraw/zinc/17/03/97/462170397.db2.gz YTTVLULGLNSROY-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP Fc1cccc(Cl)c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535711 462170939 /nfs/dbraw/zinc/17/09/39/462170939.db2.gz AQTWIAOLDPPGPJ-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(F)c1F ZINC000657537864 462172167 /nfs/dbraw/zinc/17/21/67/462172167.db2.gz UZIYXUHGRPFEHX-UHFFFAOYSA-N 2 0 342.405 3.085 10 0 EGAERP Fc1ccc(C[C@@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667642969 462186780 /nfs/dbraw/zinc/18/67/80/462186780.db2.gz PQZKTHBFKQDPID-KRWDZBQOSA-N 2 0 336.414 3.471 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3sccc3Cl)cc2)C1 ZINC000657595689 462197197 /nfs/dbraw/zinc/19/71/97/462197197.db2.gz JHQNJAJBKJISTF-OAHLLOKOSA-N 2 0 336.888 3.258 10 0 EGAERP CCC[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657741184 462247531 /nfs/dbraw/zinc/24/75/31/462247531.db2.gz FFSIOOWRDLMYRE-UXHICEINSA-N 2 0 327.516 3.258 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651753571 462325961 /nfs/dbraw/zinc/32/59/61/462325961.db2.gz WESSISOARNYRDB-INIZCTEOSA-N 2 0 339.886 3.082 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@H]3C2)cc1 ZINC000667970552 462353458 /nfs/dbraw/zinc/35/34/58/462353458.db2.gz MYYLCQFACAQVQZ-YFNVTMOMSA-N 2 0 340.511 3.444 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053495 462359624 /nfs/dbraw/zinc/35/96/24/462359624.db2.gz BJSZOWCNVKCAAU-AEFFLSMTSA-N 2 0 333.520 3.150 10 0 EGAERP FCCC[C@H]1CCC[C@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070074 462367269 /nfs/dbraw/zinc/36/72/69/462367269.db2.gz KRBZVBVDCTZPNV-IEBWSBKVSA-N 2 0 326.500 3.385 10 0 EGAERP CO[C@@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H]1CCOC1 ZINC000658071349 462367880 /nfs/dbraw/zinc/36/78/80/462367880.db2.gz HLGXLSLMDHNSQU-HAMDTZRPSA-N 2 0 346.515 3.071 10 0 EGAERP [NH3+]CC1CCC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CC1 ZINC000665276639 462379723 /nfs/dbraw/zinc/37/97/23/462379723.db2.gz IZWDFXMDSBHKPW-VEDCXYSMSA-N 3 0 341.543 3.396 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)sc2C)CC1 ZINC000665285581 462384312 /nfs/dbraw/zinc/38/43/12/462384312.db2.gz QPNXYFOZCHSXQN-AWEZNQCLSA-N 2 0 337.533 3.006 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CCSc2ccc(F)cc21 ZINC000658107860 462388468 /nfs/dbraw/zinc/38/84/68/462388468.db2.gz LIJHCUJOMCWFEV-YOEHRIQHSA-N 2 0 339.524 3.224 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@H](C4CC4)C3)cc2)C1 ZINC000658135657 462399334 /nfs/dbraw/zinc/39/93/34/462399334.db2.gz AGKZVUHYXYFIII-PCCBWWKXSA-N 2 0 328.500 3.312 10 0 EGAERP C[C@@H](CCc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138768 462402513 /nfs/dbraw/zinc/40/25/13/462402513.db2.gz NXCVXEZJQRCAJR-JXFKEZNVSA-N 2 0 344.524 3.426 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)C1 ZINC000658140612 462403538 /nfs/dbraw/zinc/40/35/38/462403538.db2.gz VISKHWQJGZATFB-UXHICEINSA-N 2 0 328.500 3.456 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143123 462404654 /nfs/dbraw/zinc/40/46/54/462404654.db2.gz WSZXKIPRODJPJI-DYESRHJHSA-N 2 0 340.442 3.169 10 0 EGAERP O[C@@H]1C[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248108 462441798 /nfs/dbraw/zinc/44/17/98/462441798.db2.gz CBNFRNAOFBKKJT-LJDSDSDDSA-N 2 0 326.484 3.075 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@@H]2CCC[C@H]21 ZINC000658329240 462479464 /nfs/dbraw/zinc/47/94/64/462479464.db2.gz KGYBIDAKPIEEKD-SOUVJXGZSA-N 2 0 328.378 3.390 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@H]2[NH3+])C1 ZINC000646106137 462518880 /nfs/dbraw/zinc/51/88/80/462518880.db2.gz PSQLKZYOCIIILO-VAMGGRTRSA-N 2 0 343.515 3.017 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183675651 528968663 /nfs/dbraw/zinc/96/86/63/528968663.db2.gz LPJWDMPYIWIQSJ-INIZCTEOSA-N 2 0 348.487 3.011 10 0 EGAERP C[NH+](C)Cc1ccc(N2CCN(c3cc[nH+]c4ccccc43)CC2)nc1 ZINC000174743282 536013531 /nfs/dbraw/zinc/01/35/31/536013531.db2.gz GVPWWKPWHBVICI-UHFFFAOYSA-N 2 0 347.466 3.018 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439801 536897780 /nfs/dbraw/zinc/89/77/80/536897780.db2.gz IXCXNFHJWRFDMM-RBSFLKMASA-N 2 0 340.414 3.259 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccoc2C)CC1 ZINC000088687282 546642279 /nfs/dbraw/zinc/64/22/79/546642279.db2.gz VNDOQEDCSOWLEM-UHFFFAOYSA-N 2 0 327.472 3.410 10 0 EGAERP Cc1cc(C)cc(-c2nc(C)nc(N(C)C3CC[NH+](C)CC3)c2N)c1 ZINC000096282127 546690446 /nfs/dbraw/zinc/69/04/46/546690446.db2.gz YMGVUQOXLNNYTB-UHFFFAOYSA-N 2 0 339.487 3.181 10 0 EGAERP CCC[NH+]1CCC([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CC1 ZINC000153533713 546880922 /nfs/dbraw/zinc/88/09/22/546880922.db2.gz UKTLYLXUCOIPPJ-UHFFFAOYSA-N 2 0 343.515 3.003 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H](N[C@@H]4CC[NH+]5CCC[C@@H]5C4)[C@H]3C2)cc1 ZINC000386526255 547823614 /nfs/dbraw/zinc/82/36/14/547823614.db2.gz OKGKJQUTGUZBNO-MNVIUDHYSA-N 2 0 339.527 3.113 10 0 EGAERP C[N@H+](CCOc1cccc(C[NH2+]CC2(C)CCC2)c1)C1CCOCC1 ZINC000434776491 547900654 /nfs/dbraw/zinc/90/06/54/547900654.db2.gz NKMKFUYAFQTZGG-UHFFFAOYSA-N 2 0 346.515 3.456 10 0 EGAERP O[C@@H](C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000481035802 547963929 /nfs/dbraw/zinc/96/39/29/547963929.db2.gz LHECVQSPPZXUSP-LEWJYISDSA-N 2 0 330.516 3.224 10 0 EGAERP Fc1ccc(C(C[NH+]2C[C@@H]3C[NH2+]C[C@H]3C2)c2ccc(F)cc2)cc1 ZINC000670265890 548192634 /nfs/dbraw/zinc/19/26/34/548192634.db2.gz XFQLJCHHSBDLKN-IRXDYDNUSA-N 2 0 328.406 3.248 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000675818898 548988524 /nfs/dbraw/zinc/98/85/24/548988524.db2.gz NDQXMUCUKCKLEO-AWEZNQCLSA-N 2 0 347.894 3.303 10 0 EGAERP COc1cc(Br)ccc1C[NH2+][C@@H](C)C1CC[NH+](C)CC1 ZINC000681742559 550031565 /nfs/dbraw/zinc/03/15/65/550031565.db2.gz IXUILXGZNLGLJH-LBPRGKRZSA-N 2 0 341.293 3.278 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682068694 550067952 /nfs/dbraw/zinc/06/79/52/550067952.db2.gz FAFDBHROPOKTIR-OPYAIIAOSA-N 2 0 327.516 3.164 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CCC[C@@H](OC)C3)CC2)cc1 ZINC000684374222 550321241 /nfs/dbraw/zinc/32/12/41/550321241.db2.gz KYQOOKSSMJZPLS-PZJWPPBQSA-N 2 0 346.515 3.454 10 0 EGAERP C[C@H](CCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OCc1ccccc1 ZINC000871784971 1296532117 /nfs/dbraw/zinc/53/21/17/1296532117.db2.gz MWBXZAQHYCNQSD-BPIHKTFHSA-N 2 0 345.487 3.353 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@H]2CCOC3(CCCC3)C2)cc1 ZINC000872034980 1296684387 /nfs/dbraw/zinc/68/43/87/1296684387.db2.gz SVMBVOOVRBXMDD-IBGZPJMESA-N 2 0 346.515 3.251 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)[C@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872154909 1296772528 /nfs/dbraw/zinc/77/25/28/1296772528.db2.gz DYCVVPFCOYFAPA-AWEZNQCLSA-N 2 0 325.884 3.426 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CCCCCC[NH3+])c1cccc2ccccc21 ZINC000872154971 1296772977 /nfs/dbraw/zinc/77/29/77/1296772977.db2.gz HTMVYJZRBYUOMC-KRWDZBQOSA-N 2 0 341.499 3.468 10 0 EGAERP C[C@H](c1cc2ccccc2o1)N(C)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872154987 1296774075 /nfs/dbraw/zinc/77/40/75/1296774075.db2.gz ILCYJEJZRBULRM-MRXNPFEDSA-N 2 0 345.487 3.403 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC000301705752 1296793326 /nfs/dbraw/zinc/79/33/26/1296793326.db2.gz YQTKNLHXZOXPIM-GOSISDBHSA-N 2 0 347.503 3.285 10 0 EGAERP C[C@@H]1C[C@H](N2CCC3(CC[NH2+]CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000302655482 1296803562 /nfs/dbraw/zinc/80/35/62/1296803562.db2.gz ZVLBAVLPCGCSQO-QUCCMNQESA-N 2 0 327.516 3.115 10 0 EGAERP CN(Cc1ccc2c(c1)C[NH2+]C2)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388317238 1297602804 /nfs/dbraw/zinc/60/28/04/1297602804.db2.gz GSUKEGNEBQJFHJ-QFIPXVFZSA-N 2 0 335.495 3.386 10 0 EGAERP O[C@@H](C[NH2+]CC1CC[NH+](Cc2ccccc2)CC1)c1ccc(F)cc1 ZINC000397552188 1297701443 /nfs/dbraw/zinc/70/14/43/1297701443.db2.gz XPFQLWNERKENGZ-NRFANRHFSA-N 2 0 342.458 3.361 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H](C)C1CC[NH2+]CC1 ZINC000400701582 1297730452 /nfs/dbraw/zinc/73/04/52/1297730452.db2.gz BXUKZHOALRJGGP-CHWSQXEVSA-N 2 0 325.294 3.358 10 0 EGAERP Cc1cc(NC[C@@]2(O)CC[N@H+](Cc3ccccc3)C2)c2ccccc2[nH+]1 ZINC000702604202 1298195939 /nfs/dbraw/zinc/19/59/39/1298195939.db2.gz HHOPXGMPAKSEMW-QFIPXVFZSA-N 2 0 347.462 3.014 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000704003195 1298203894 /nfs/dbraw/zinc/20/38/94/1298203894.db2.gz VKRVZBDEHNNDDI-QGZVFWFLSA-N 2 0 339.524 3.098 10 0 EGAERP CC(C)[NH+]1CCC([NH2+][C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000707984039 1298233464 /nfs/dbraw/zinc/23/34/64/1298233464.db2.gz JBLAWHQCBVZCQL-IYBDPMFKSA-N 2 0 339.524 3.285 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000715220742 1298280775 /nfs/dbraw/zinc/28/07/75/1298280775.db2.gz CZWCJBLFXBVBNK-UHFFFAOYSA-N 3 0 329.532 3.361 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560127 1298282272 /nfs/dbraw/zinc/28/22/72/1298282272.db2.gz XJRGPKFSYUQGHY-YYIAUSFCSA-N 2 0 339.524 3.237 10 0 EGAERP COc1cc([C@@H](C)NC[C@H]2C[NH2+]CCC2(F)F)ccc1SC ZINC000925781178 1325298526 /nfs/dbraw/zinc/29/85/26/1325298526.db2.gz HNBWFHIBOIFVRZ-DGCLKSJQSA-N 2 0 330.444 3.313 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H]2CCCOc3cc(Br)ccc32)C1 ZINC000925875257 1325337996 /nfs/dbraw/zinc/33/79/96/1325337996.db2.gz DVIOIAIRZJNJKT-LNSITVRQSA-N 2 0 339.277 3.380 10 0 EGAERP C(CC[N@@H+]1CC[C@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563955 1300604729 /nfs/dbraw/zinc/60/47/29/1300604729.db2.gz WURZTMHFRZMCKL-MHORFTMASA-N 2 0 340.602 3.136 10 0 EGAERP C[C@](O)(C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000886532213 1303489081 /nfs/dbraw/zinc/48/90/81/1303489081.db2.gz GDTSHWCFYIBKTP-JTJHWIPRSA-N 2 0 340.467 3.130 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)[C@@H](O)C(C)C ZINC000886627321 1303531334 /nfs/dbraw/zinc/53/13/34/1303531334.db2.gz YYWYYLHOBRENFK-SSTJLMRISA-N 2 0 330.516 3.425 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+]Cc3nnc(C4CC4)s3)CC2)c1 ZINC000892752647 1305540071 /nfs/dbraw/zinc/54/00/71/1305540071.db2.gz MWRWNHREFBLIJX-UHFFFAOYSA-N 2 0 348.541 3.479 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[NH+](C)C)c2c1OC(F)(F)O2)c1ccc[nH]1 ZINC000894366046 1306360949 /nfs/dbraw/zinc/36/09/49/1306360949.db2.gz KKPLNCJYYIEJFB-LLVKDONJSA-N 2 0 337.370 3.249 10 0 EGAERP COC(=O)c1[nH]c2ccccc2c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000895454914 1309345546 /nfs/dbraw/zinc/34/55/46/1309345546.db2.gz PTYQEPQAHGRYJZ-UHFFFAOYSA-N 2 0 343.471 3.307 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC3CCOCC3)cc2)C[C@H](C)O1 ZINC000895740566 1309499038 /nfs/dbraw/zinc/49/90/38/1309499038.db2.gz VYUCMRBYFRYYHA-HDICACEKSA-N 2 0 346.515 3.154 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000895815100 1309533270 /nfs/dbraw/zinc/53/32/70/1309533270.db2.gz ZPPIUBSWMLNRMD-DFQSSKMNSA-N 2 0 345.531 3.306 10 0 EGAERP C=Cn1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]3C2)cn1 ZINC000898520411 1310776100 /nfs/dbraw/zinc/77/61/00/1310776100.db2.gz YAEMTXTUBONWFQ-QHAWAJNXSA-N 2 0 336.483 3.374 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC000898521689 1310776114 /nfs/dbraw/zinc/77/61/14/1310776114.db2.gz FWGWHHOWXRTMPP-JSXRDJHFSA-N 2 0 328.500 3.446 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](C[C@@H](C)C(=O)c2ccc(O)cc2)CC1 ZINC000929275726 1328555075 /nfs/dbraw/zinc/55/50/75/1328555075.db2.gz LPGPRKXNSDVLOP-MRXNPFEDSA-N 2 0 332.488 3.265 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000858164238 1328700533 /nfs/dbraw/zinc/70/05/33/1328700533.db2.gz UOKRGPLFVBKMJO-HUUCEWRRSA-N 2 0 330.394 3.201 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858184019 1328705688 /nfs/dbraw/zinc/70/56/88/1328705688.db2.gz HDIWCDKVTXADEA-HNNXBMFYSA-N 2 0 339.524 3.144 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+](CC3CCC4(CC4)CC3)CC2)CC1 ZINC000930044567 1328772170 /nfs/dbraw/zinc/77/21/70/1328772170.db2.gz FHZVVJBAAVBHKI-UHFFFAOYSA-N 2 0 333.564 3.447 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)N1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000913397413 1319025464 /nfs/dbraw/zinc/02/54/64/1319025464.db2.gz HOWGLRTWONXQMS-GOSISDBHSA-N 2 0 331.504 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC)([NH+]3CCCCC3)CC2)C1 ZINC000915157356 1319436591 /nfs/dbraw/zinc/43/65/91/1319436591.db2.gz GWXLFWUXEGKBAD-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCC[C@@H](C(F)(F)F)O3)C2)CC1 ZINC000930310477 1328831317 /nfs/dbraw/zinc/83/13/17/1328831317.db2.gz ZVBLWYXXXMFZFD-GJZGRUSLSA-N 2 0 334.426 3.294 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+]Cc2ccc(CSC)cc2)CC1 ZINC000921529201 1322341659 /nfs/dbraw/zinc/34/16/59/1322341659.db2.gz YQBWZUCXGQEADU-UHFFFAOYSA-N 2 0 335.561 3.057 10 0 EGAERP CSCc1ccc(C[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3O)CC2)cc1 ZINC000921858259 1322413080 /nfs/dbraw/zinc/41/30/80/1322413080.db2.gz CJWPIMFTGRJMIZ-PMACEKPBSA-N 2 0 348.556 3.407 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000921928228 1322424447 /nfs/dbraw/zinc/42/44/47/1322424447.db2.gz SFYLPSCTUIDYBQ-VQIMIIECSA-N 2 0 325.456 3.178 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)[C@H](c2ccccc2)C1 ZINC000922211241 1322479240 /nfs/dbraw/zinc/47/92/40/1322479240.db2.gz AKMAUEPWLWUBPM-ONUIULTDSA-N 2 0 328.500 3.127 10 0 EGAERP CCCC[N@H+](C[C@@H]1C[C@@H]2COC[C@H]2O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033549 1329033989 /nfs/dbraw/zinc/03/39/89/1329033989.db2.gz IESVFCZPFUDLDE-BPQIPLTHSA-N 2 0 338.536 3.202 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+]Cc2cccc3c2OCCCO3)CC1 ZINC000922848040 1322631642 /nfs/dbraw/zinc/63/16/42/1322631642.db2.gz KUTXDVGKRABUML-UHFFFAOYSA-N 2 0 330.472 3.345 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000923439043 1322752101 /nfs/dbraw/zinc/75/21/01/1322752101.db2.gz CEWKSQYUTGHWFC-OAHLLOKOSA-N 2 0 328.378 3.035 10 0 EGAERP Cc1nc(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)sc1C(C)(C)C ZINC000923439139 1322752212 /nfs/dbraw/zinc/75/22/12/1322752212.db2.gz CTUSLMFTYQWCBB-AWEZNQCLSA-N 2 0 337.533 3.079 10 0 EGAERP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923499012 1322762466 /nfs/dbraw/zinc/76/24/66/1322762466.db2.gz PYUOSTJWVNZRIB-KGLIPLIRSA-N 2 0 330.428 3.026 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(C(=O)Nc3ccccc3)cc2)CC[C@@H]1C[NH3+] ZINC000923501471 1322763754 /nfs/dbraw/zinc/76/37/54/1322763754.db2.gz USNYCZZFHAYVDL-VQIMIIECSA-N 2 0 337.467 3.356 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](CCCC(C)(F)F)C2)ccn1 ZINC000931092391 1329048536 /nfs/dbraw/zinc/04/85/36/1329048536.db2.gz DHBPKYPWWGIDFV-KRWDZBQOSA-N 2 0 341.446 3.422 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccns1 ZINC000924796506 1323165811 /nfs/dbraw/zinc/16/58/11/1323165811.db2.gz DDOIJVCGUJMLFE-QGZVFWFLSA-N 2 0 344.528 3.396 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)C2)CO1 ZINC000924938311 1323220636 /nfs/dbraw/zinc/22/06/36/1323220636.db2.gz JRFPQYXZWOLJFT-GJHJYOIJSA-N 2 0 328.500 3.098 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924940205 1323223232 /nfs/dbraw/zinc/22/32/32/1323223232.db2.gz ZQKMRKFBLNROCI-KNQAVFIVSA-N 2 0 342.527 3.346 10 0 EGAERP c1ccc(C[C@@H](Cc2cccnc2)[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000925015726 1323245173 /nfs/dbraw/zinc/24/51/73/1323245173.db2.gz KTPLDENFJNMRBO-VXKWHMMOSA-N 2 0 335.495 3.309 10 0 EGAERP Cn1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000925075999 1323268476 /nfs/dbraw/zinc/26/84/76/1323268476.db2.gz VKLAXVRHAYNPQZ-XLIONFOSSA-N 2 0 344.478 3.122 10 0 EGAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1 ZINC000925135817 1325060482 /nfs/dbraw/zinc/06/04/82/1325060482.db2.gz ZFCFHSDATFQDTJ-TWOQFEAHSA-N 2 0 328.456 3.425 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480427 1325168964 /nfs/dbraw/zinc/16/89/64/1325168964.db2.gz KINDXLFPZNMANY-CWRNSKLLSA-N 2 0 331.460 3.200 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)nc2c1 ZINC000925480407 1325169088 /nfs/dbraw/zinc/16/90/88/1325169088.db2.gz KAQNKKBJYVKCOX-IRXDYDNUSA-N 2 0 326.488 3.253 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925502182 1325180855 /nfs/dbraw/zinc/18/08/55/1325180855.db2.gz FYRZCUMKJUCFTF-CEXWTWQISA-N 2 0 346.490 3.240 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](c2ccccc2Cl)N2CCCC2)C12CCC2 ZINC000925506443 1325182128 /nfs/dbraw/zinc/18/21/28/1325182128.db2.gz RGTIBIATBDMJFU-KZNAEPCWSA-N 2 0 333.907 3.336 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3cccc(Cl)c3)CCOCC2)C12CCC2 ZINC000925505549 1325182617 /nfs/dbraw/zinc/18/26/17/1325182617.db2.gz TUWNZERUYWTGHT-DLBZAZTESA-N 2 0 334.891 3.248 10 0 EGAERP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925550742 1325203369 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ZINC001266238083 1377241534 /nfs/dbraw/zinc/24/15/34/1377241534.db2.gz JWEPHDVOIBHHLY-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)c(C[N@H+](C)CCNC(=O)CC[C@H]2CCC[NH+]2C)c(C)c1 ZINC001266284772 1377258591 /nfs/dbraw/zinc/25/85/91/1377258591.db2.gz KRHICQRMINKZHH-LJQANCHMSA-N 2 0 345.531 3.034 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC2CCCC2)C1 ZINC001266897583 1377400664 /nfs/dbraw/zinc/40/06/64/1377400664.db2.gz OMEYNSJAIGFAIT-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267070830 1377409966 /nfs/dbraw/zinc/40/99/66/1377409966.db2.gz QBOUPPTZBJPTED-DXPXIUTNSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001267177222 1377423667 /nfs/dbraw/zinc/42/36/67/1377423667.db2.gz RCYFORCPMUZGHP-LJQANCHMSA-N 2 0 331.504 3.133 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001267570525 1377460459 /nfs/dbraw/zinc/46/04/59/1377460459.db2.gz BPGYTWQBBIHYRT-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCC1)C1CCC1 ZINC001268156347 1377489242 /nfs/dbraw/zinc/48/92/42/1377489242.db2.gz XWHZVYPJDWRATL-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)[NH+](C)C ZINC001269331546 1377550599 /nfs/dbraw/zinc/55/05/99/1377550599.db2.gz NTSZVSAMXCCGND-VQTJNVASSA-N 2 0 345.531 3.066 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001270411454 1377605748 /nfs/dbraw/zinc/60/57/48/1377605748.db2.gz BGDPUZNJDAVOLH-HKUYNNGSSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C(C)C)[NH+]1CCCC1 ZINC001271939473 1377653505 /nfs/dbraw/zinc/65/35/05/1377653505.db2.gz FQCNDMMRPINQFS-WOJBJXKFSA-N 2 0 345.531 3.037 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001274340970 1378123619 /nfs/dbraw/zinc/12/36/19/1378123619.db2.gz ZNUWQQKGTUNSCS-YDFHMDALSA-N 2 0 345.531 3.213 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275416537 1378139917 /nfs/dbraw/zinc/13/99/17/1378139917.db2.gz WKQXENCOMQOTID-IAGOWNOFSA-N 2 0 345.531 3.277 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CCC[NH2+][C@H]1CCc2c1cccc2F ZINC001277364065 1378219372 /nfs/dbraw/zinc/21/93/72/1378219372.db2.gz YTWSBZDPPANWMN-KXBFYZLASA-N 2 0 349.494 3.028 10 0 EGAERP C[C@@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)[NH+]1CCCCCC1 ZINC001141063741 1378224597 /nfs/dbraw/zinc/22/45/97/1378224597.db2.gz CBENDDNAMURHHY-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279631441 1378317324 /nfs/dbraw/zinc/31/73/24/1378317324.db2.gz WAAZMQNCZBQQJW-YIYNPQHWSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280163577 1378332010 /nfs/dbraw/zinc/33/20/10/1378332010.db2.gz JONPKCMGIHDREP-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001280349939 1378342501 /nfs/dbraw/zinc/34/25/01/1378342501.db2.gz BPKBRYNDVUVNBA-APWZRJJASA-N 2 0 331.504 3.236 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001282129991 1378478643 /nfs/dbraw/zinc/47/86/43/1378478643.db2.gz VRLZACZURQMEOL-MSOLQXFVSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282666953 1378539821 /nfs/dbraw/zinc/53/98/21/1378539821.db2.gz VBAPZUILVPYWJB-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP c1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc2c1CCC2 ZINC001327581229 1388563124 /nfs/dbraw/zinc/56/31/24/1388563124.db2.gz DCWOWPBUCRIZTP-UHFFFAOYSA-N 2 0 328.500 3.156 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001283101053 1378732382 /nfs/dbraw/zinc/73/23/82/1378732382.db2.gz CWOMUIUDQRYUPQ-FRYIKTPZSA-N 2 0 345.531 3.208 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H]1CCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001283187330 1378756603 /nfs/dbraw/zinc/75/66/03/1378756603.db2.gz TXSDBDWLBOMPCI-QFBILLFUSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001283617983 1379056325 /nfs/dbraw/zinc/05/63/25/1379056325.db2.gz OIXAWGOYBLMBAA-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001283677018 1379104628 /nfs/dbraw/zinc/10/46/28/1379104628.db2.gz GZGJWRMCOVNBSS-SJLPKXTDSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001283720693 1379142185 /nfs/dbraw/zinc/14/21/85/1379142185.db2.gz GIEIDJFVMBQNLE-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001284056941 1379408060 /nfs/dbraw/zinc/40/80/60/1379408060.db2.gz JKEUIJAGEQVUKK-VOEYZPKTSA-N 2 0 347.547 3.186 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001284072442 1379435925 /nfs/dbraw/zinc/43/59/25/1379435925.db2.gz RITXNZWWKGQOQG-GGPKGHCWSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1Cc1ccsc1 ZINC001284154782 1379550732 /nfs/dbraw/zinc/55/07/32/1379550732.db2.gz QQGJIHWBWSOQBQ-AEFFLSMTSA-N 2 0 349.544 3.093 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001284192384 1379585192 /nfs/dbraw/zinc/58/51/92/1379585192.db2.gz RKAJKEQBHLDKCP-MSOLQXFVSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001284292416 1379680438 /nfs/dbraw/zinc/68/04/38/1379680438.db2.gz GFNXYHGCUNMOBH-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH+]1CCC(C(=O)NC[C@@H]2CC[N@@H+]2C2CCCCCC2)CC1 ZINC001152053332 1379851856 /nfs/dbraw/zinc/85/18/56/1379851856.db2.gz PBQLUZSXEKTCPF-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC[C@H]3CC[NH+]3C3CCCCCC3)C[N@@H+]2C1 ZINC001152053388 1379853057 /nfs/dbraw/zinc/85/30/57/1379853057.db2.gz RHFNQRJOVUYZKJ-LCLWPZTBSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C)[NH+]1CCCC1 ZINC001284652599 1380067462 /nfs/dbraw/zinc/06/74/62/1380067462.db2.gz KRQJBAMLUZKITD-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](Cc2ccccc2C)CC1)[NH+](C)C ZINC001284701729 1380116734 /nfs/dbraw/zinc/11/67/34/1380116734.db2.gz DYGDJBXBCYDAAU-YLJYHZDGSA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001284720396 1380140237 /nfs/dbraw/zinc/14/02/37/1380140237.db2.gz YKQNLTLHDGJGHD-HGFKVBKKSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CC(C)(C)C2)CC1 ZINC001328048445 1388653168 /nfs/dbraw/zinc/65/31/68/1388653168.db2.gz KRPNARVQSDGBMA-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001328098546 1388670701 /nfs/dbraw/zinc/67/07/01/1388670701.db2.gz OGBNTWQZENBYDW-SFFCAUCYSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC001328157118 1388683261 /nfs/dbraw/zinc/68/32/61/1388683261.db2.gz BMNYUFVNKZTQBL-GCJKJVERSA-N 2 0 338.495 3.282 10 0 EGAERP [NH3+]C[C@@H](C(=O)Nc1cccc(C[NH+]2CCCC2)c1)c1ccc(F)cc1 ZINC001328577572 1388779939 /nfs/dbraw/zinc/77/99/39/1388779939.db2.gz OAYJHDQTPINRIV-LJQANCHMSA-N 2 0 341.430 3.103 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](Cc2c[nH]c(=O)c3ccccc23)CC1 ZINC001167322184 1383597255 /nfs/dbraw/zinc/59/72/55/1383597255.db2.gz RAHQKHDALLJTDZ-UHFFFAOYSA-N 2 0 327.472 3.493 10 0 EGAERP COC(=O)C[C@@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC001308016882 1384075661 /nfs/dbraw/zinc/07/56/61/1384075661.db2.gz QVVYETMMPVFTBS-OAQYLSRUSA-N 2 0 344.499 3.494 10 0 EGAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001328929556 1388904737 /nfs/dbraw/zinc/90/47/37/1388904737.db2.gz YXILFKPLJMBKFJ-CTWPCTMYSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001316624449 1384490044 /nfs/dbraw/zinc/49/00/44/1384490044.db2.gz NMQSCFCOJPHNMX-ZCNNSNEGSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001316629856 1384493672 /nfs/dbraw/zinc/49/36/72/1384493672.db2.gz ROOPHNMXWFYNFE-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316629320 1384493721 /nfs/dbraw/zinc/49/37/21/1384493721.db2.gz HDQAAPDMICMGIZ-LJNMZNKLSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001316634635 1384496896 /nfs/dbraw/zinc/49/68/96/1384496896.db2.gz KCHCJPRNEZDQCW-QWFCFKBJSA-N 2 0 347.547 3.234 10 0 EGAERP C[NH+]1CCC(C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001316659375 1384509199 /nfs/dbraw/zinc/50/91/99/1384509199.db2.gz ILWCDCXTJCUBJK-FUHWJXTLSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001316709248 1384533151 /nfs/dbraw/zinc/53/31/51/1384533151.db2.gz RXVVIOKGEFGDEU-OTWHNJEPSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@H]21 ZINC001316725365 1384545482 /nfs/dbraw/zinc/54/54/82/1384545482.db2.gz YKGHLCFXARJWFI-SQNIBIBYSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCC2CCCC2)CC[N@@H+]1C ZINC001316802200 1384589837 /nfs/dbraw/zinc/58/98/37/1384589837.db2.gz HTHCWWCKTDSKBK-YZGWKJHDSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316811687 1384609812 /nfs/dbraw/zinc/60/98/12/1384609812.db2.gz OABXCKWSHHIHIL-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316811883 1384610007 /nfs/dbraw/zinc/61/00/07/1384610007.db2.gz QCOOHJFSGYRIEY-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CCC(C[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001316828888 1384622943 /nfs/dbraw/zinc/62/29/43/1384622943.db2.gz MILBMWYFGWYPLF-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1=CCCCC1 ZINC001316832294 1384623650 /nfs/dbraw/zinc/62/36/50/1384623650.db2.gz AAJDIQOMSNBRSQ-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001316843285 1384632414 /nfs/dbraw/zinc/63/24/14/1384632414.db2.gz BHAOXJBMDHNHNI-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1ccccc1 ZINC001316903383 1384683788 /nfs/dbraw/zinc/68/37/88/1384683788.db2.gz JJPORXTXKAIGSH-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316933467 1384704257 /nfs/dbraw/zinc/70/42/57/1384704257.db2.gz HRARIECGFUIEAT-SFHVURJKSA-N 2 0 337.552 3.364 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001316936172 1384708004 /nfs/dbraw/zinc/70/80/04/1384708004.db2.gz ROEZCRORHRJURA-SFHVURJKSA-N 2 0 345.531 3.239 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001316942375 1384712779 /nfs/dbraw/zinc/71/27/79/1384712779.db2.gz BRUVRZGZBNXRDO-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030574 1384798052 /nfs/dbraw/zinc/79/80/52/1384798052.db2.gz UZNUNIBGPQHNLF-YLJYHZDGSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C)C1 ZINC001317035730 1384805227 /nfs/dbraw/zinc/80/52/27/1384805227.db2.gz NZXNGGXWBNHSQX-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3=CCCCC3)CC[C@H]21 ZINC001317100901 1384863973 /nfs/dbraw/zinc/86/39/73/1384863973.db2.gz ZAIGIWJDBBQRKA-WOJBJXKFSA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317153410 1384919070 /nfs/dbraw/zinc/91/90/70/1384919070.db2.gz QONHNLUJTXNDAS-DXPXIUTNSA-N 2 0 349.563 3.291 10 0 EGAERP CCCc1ccc(C[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001317220290 1385000481 /nfs/dbraw/zinc/00/04/81/1385000481.db2.gz PHDWIMJAUOYDAM-UHFFFAOYSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CCC(C)(C)C ZINC001317258799 1385028492 /nfs/dbraw/zinc/02/84/92/1385028492.db2.gz VHFABDOTBFBVIO-INIZCTEOSA-N 2 0 325.541 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]Cc2ccc(C)cc2C)C1 ZINC001317262701 1385032080 /nfs/dbraw/zinc/03/20/80/1385032080.db2.gz BROIEOMWOYZKRX-QUCCMNQESA-N 2 0 345.531 3.020 10 0 EGAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001317333911 1385087161 /nfs/dbraw/zinc/08/71/61/1385087161.db2.gz OSIYBEGLPSGHSP-AZUAARDMSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001317342747 1385094165 /nfs/dbraw/zinc/09/41/65/1385094165.db2.gz HXZFOGHAXAQNMF-RTBURBONSA-N 2 0 345.531 3.226 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21 ZINC001317416329 1385125944 /nfs/dbraw/zinc/12/59/44/1385125944.db2.gz UKLXKNIYCKLFIF-HNAYVOBHSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001317416978 1385126725 /nfs/dbraw/zinc/12/67/25/1385126725.db2.gz ZWLVNBKOVUGISK-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317430593 1385134902 /nfs/dbraw/zinc/13/49/02/1385134902.db2.gz XRGJEXVXYKSJJV-GUKTUGNZSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317430595 1385135042 /nfs/dbraw/zinc/13/50/42/1385135042.db2.gz XRGJEXVXYKSJJV-UVRCQCPESA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317430594 1385135280 /nfs/dbraw/zinc/13/52/80/1385135280.db2.gz XRGJEXVXYKSJJV-OAOPFVHKSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CCC1CCCCC1 ZINC001317491661 1385192547 /nfs/dbraw/zinc/19/25/47/1385192547.db2.gz DQOHZSKYNVBRHZ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001317508619 1385218388 /nfs/dbraw/zinc/21/83/88/1385218388.db2.gz DMEAZNZGRBKXSJ-MOPGFXCFSA-N 2 0 337.552 3.410 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001329107588 1388972488 /nfs/dbraw/zinc/97/24/88/1388972488.db2.gz XHGKXXNAZKDYKH-IRXDYDNUSA-N 2 0 345.531 3.106 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317524100 1385243585 /nfs/dbraw/zinc/24/35/85/1385243585.db2.gz YCKMOLYLICWPAP-KAGICYHLSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317525114 1385245249 /nfs/dbraw/zinc/24/52/49/1385245249.db2.gz DETJESUZXCKUNL-PXPVJAHISA-N 2 0 347.547 3.047 10 0 EGAERP Cc1c(C(=O)N(C)CC[NH2+]CC2CCC(C)CC2)ccc2c[nH+]cn21 ZINC001317603086 1385349699 /nfs/dbraw/zinc/34/96/99/1385349699.db2.gz KVEFBRRAAZKBLF-UHFFFAOYSA-N 2 0 342.487 3.131 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001317675500 1385382356 /nfs/dbraw/zinc/38/23/56/1385382356.db2.gz IGUFZMCKIATMCH-IPLHWJFFSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)C1(C(=O)NCC[C@H]2CC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001317787171 1385480041 /nfs/dbraw/zinc/48/00/41/1385480041.db2.gz CYIAGNJLDBATCL-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001329144172 1388988376 /nfs/dbraw/zinc/98/83/76/1388988376.db2.gz AIWPGNHMIBXNQF-ZWKOTPCHSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001317802802 1385498160 /nfs/dbraw/zinc/49/81/60/1385498160.db2.gz MCQIWAKOKAQLFK-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001317835936 1385523589 /nfs/dbraw/zinc/52/35/89/1385523589.db2.gz JIEGGESRLMUXMX-CEXWTWQISA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001317934419 1385574122 /nfs/dbraw/zinc/57/41/22/1385574122.db2.gz XSHKXKZAXWLFHA-KAGICYHLSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CCC1=CCCCC1 ZINC001318528704 1385737401 /nfs/dbraw/zinc/73/74/01/1385737401.db2.gz SNJPPXMMLUVZFO-CEXWTWQISA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001318570584 1385763407 /nfs/dbraw/zinc/76/34/07/1385763407.db2.gz PMOZGGCGBIQCOZ-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318636296 1385807923 /nfs/dbraw/zinc/80/79/23/1385807923.db2.gz OQSKJWSTRYICHV-VZSQWMKGSA-N 2 0 347.547 3.093 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC2(C[NH2+]CC3CCCC3)CCCC2)C1 ZINC001318665167 1385825245 /nfs/dbraw/zinc/82/52/45/1385825245.db2.gz SGWUENMWBNEUMG-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001318806070 1385858785 /nfs/dbraw/zinc/85/87/85/1385858785.db2.gz TTYNSSRLAXGXKX-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001318860715 1385863552 /nfs/dbraw/zinc/86/35/52/1385863552.db2.gz NZXDWNGVAIXBPW-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]CCC1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001318927704 1385884482 /nfs/dbraw/zinc/88/44/82/1385884482.db2.gz CMONECVEKMMBNG-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001318975782 1385904767 /nfs/dbraw/zinc/90/47/67/1385904767.db2.gz FYQJANCAAMTXSL-WGSAOQKQSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001319084653 1385955718 /nfs/dbraw/zinc/95/57/18/1385955718.db2.gz FMPDCUVMGQWQLO-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001319251397 1386025856 /nfs/dbraw/zinc/02/58/56/1386025856.db2.gz SAFUFOQRRZBTGC-IAGOWNOFSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001319477374 1386139094 /nfs/dbraw/zinc/13/90/94/1386139094.db2.gz WTUYJCMREJYFKW-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319606628 1386205840 /nfs/dbraw/zinc/20/58/40/1386205840.db2.gz XZOMQCXCOIALRY-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001319620145 1386213920 /nfs/dbraw/zinc/21/39/20/1386213920.db2.gz FSKZPKHJOCOGKT-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319658112 1386237612 /nfs/dbraw/zinc/23/76/12/1386237612.db2.gz WDKWNQVLWNCATG-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001319658110 1386238103 /nfs/dbraw/zinc/23/81/03/1386238103.db2.gz WDKWNQVLWNCATG-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001319782230 1386294744 /nfs/dbraw/zinc/29/47/44/1386294744.db2.gz XJUFSVQBXFOKAY-HXUWFJFHSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319794535 1386300274 /nfs/dbraw/zinc/30/02/74/1386300274.db2.gz YNXUTKZYAIZVAU-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCCC(C)(C)C)C1 ZINC001320114426 1386522557 /nfs/dbraw/zinc/52/25/57/1386522557.db2.gz LBFSYUHVGTUQFD-QZTJIDSGSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CC[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001698651291 1406301316 /nfs/dbraw/zinc/30/13/16/1406301316.db2.gz JLDRPIGVJUEMRY-FQEVSTJZSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001320150808 1386537152 /nfs/dbraw/zinc/53/71/52/1386537152.db2.gz LUQXBKUKUFJDLH-QUCCMNQESA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001320416869 1386604184 /nfs/dbraw/zinc/60/41/84/1386604184.db2.gz XKFBODCHXDWLQH-PKOBYXMFSA-N 2 0 335.536 3.234 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320547963 1386645334 /nfs/dbraw/zinc/64/53/34/1386645334.db2.gz IDAKCBZTCYSUTH-SFHVURJKSA-N 2 0 347.547 3.266 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cccc2ccccc21 ZINC001320643456 1386676842 /nfs/dbraw/zinc/67/68/42/1386676842.db2.gz DWBPNKODKDBTEI-QGZVFWFLSA-N 2 0 341.499 3.164 10 0 EGAERP CCN(CC[NH2+]CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001320781809 1386716985 /nfs/dbraw/zinc/71/69/85/1386716985.db2.gz MIHSCSNHGQFTFA-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001698670202 1406319808 /nfs/dbraw/zinc/31/98/08/1406319808.db2.gz AVGZNWAAOFYJDA-KJBZUCPPSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC001321199164 1386838499 /nfs/dbraw/zinc/83/84/99/1386838499.db2.gz FTOSLSNXOSLUCX-FVQGUVRESA-N 2 0 349.906 3.147 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC001321199168 1386838703 /nfs/dbraw/zinc/83/87/03/1386838703.db2.gz FTOSLSNXOSLUCX-MLCBILRFSA-N 2 0 349.906 3.147 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001698674733 1406323144 /nfs/dbraw/zinc/32/31/44/1406323144.db2.gz SUPNBWOEMLHNRB-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001321609820 1386940635 /nfs/dbraw/zinc/94/06/35/1386940635.db2.gz PWQQRRSXQWHBAY-QAPCUYQASA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001321757243 1386976430 /nfs/dbraw/zinc/97/64/30/1386976430.db2.gz ZRNHSUOPQADMMK-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001322089865 1387049623 /nfs/dbraw/zinc/04/96/23/1387049623.db2.gz UXDWZBRUSLQQMP-KRWDZBQOSA-N 2 0 343.515 3.347 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001698694297 1406338437 /nfs/dbraw/zinc/33/84/37/1406338437.db2.gz ODKHPCAUGAVFDD-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698693498 1406337551 /nfs/dbraw/zinc/33/75/51/1406337551.db2.gz AKJTVXYZTOKCFZ-ZWKOTPCHSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001698693347 1406338068 /nfs/dbraw/zinc/33/80/68/1406338068.db2.gz CBVHONOQZIXVQJ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001698695961 1406339388 /nfs/dbraw/zinc/33/93/88/1406339388.db2.gz SJMVHUPNWFUNKH-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1c(C(=O)N(C)CCC[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001322582909 1387209317 /nfs/dbraw/zinc/20/93/17/1387209317.db2.gz YZBSCJQODCTHCG-UHFFFAOYSA-N 2 0 330.476 3.131 10 0 EGAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CC2CCCCCC2)CC1 ZINC001329243168 1389033832 /nfs/dbraw/zinc/03/38/32/1389033832.db2.gz IEUFLXAHAYWDAJ-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CC1CCC(C)(C)CC1 ZINC001329474121 1389122129 /nfs/dbraw/zinc/12/21/29/1389122129.db2.gz HFWPHPTZUDDQHW-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)cc1 ZINC001698719867 1406365159 /nfs/dbraw/zinc/36/51/59/1406365159.db2.gz JSLZHUGPVZQIPM-UXHICEINSA-N 2 0 343.515 3.065 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]2CCCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001329937665 1389266548 /nfs/dbraw/zinc/26/65/48/1389266548.db2.gz NPXRIYWEYKZSAN-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC2CC3(CCC3)C2)CC1(C)C ZINC001330242708 1389360062 /nfs/dbraw/zinc/36/00/62/1389360062.db2.gz CJTVTDXXOVQRAZ-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C(=O)N1C[C@]2(C)C[N@H+](CCC3CC3)C[C@]2(C)C1)[NH+](CC)CC ZINC001330527759 1389443987 /nfs/dbraw/zinc/44/39/87/1389443987.db2.gz CSWUVBITAFPKCL-SESVDKBCSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001698735427 1406385371 /nfs/dbraw/zinc/38/53/71/1406385371.db2.gz IEDGDODWUURAMJ-AATRIKPKSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001331053715 1389611521 /nfs/dbraw/zinc/61/15/21/1389611521.db2.gz LRFYCKZCHYNABS-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCCC1 ZINC001331200392 1389652628 /nfs/dbraw/zinc/65/26/28/1389652628.db2.gz TYCOQSIQMZUYSD-MOPGFXCFSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331440188 1389749852 /nfs/dbraw/zinc/74/98/52/1389749852.db2.gz RDLVJECLSMPCEZ-HKUYNNGSSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCCC1CCCC1 ZINC001331519142 1389780987 /nfs/dbraw/zinc/78/09/87/1389780987.db2.gz NASXYSDSIJBBID-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001331575259 1389808182 /nfs/dbraw/zinc/80/81/82/1389808182.db2.gz FBMVPLLMGDLHDL-IAGOWNOFSA-N 2 0 349.494 3.027 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001331645372 1389844802 /nfs/dbraw/zinc/84/48/02/1389844802.db2.gz ACCRDDONIQURSR-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C[C@@H]1C ZINC001332052187 1389959576 /nfs/dbraw/zinc/95/95/76/1389959576.db2.gz XDBFXYKBERJIDS-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001332404819 1390108082 /nfs/dbraw/zinc/10/80/82/1390108082.db2.gz MLOHSWCDUWWHOC-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC001332439322 1390118402 /nfs/dbraw/zinc/11/84/02/1390118402.db2.gz UZFCDYXBVJLMAO-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC001332440055 1390118916 /nfs/dbraw/zinc/11/89/16/1390118916.db2.gz YUWBHWXHEKDPDP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(C)C)[NH+](C)C ZINC001332733178 1390173607 /nfs/dbraw/zinc/17/36/07/1390173607.db2.gz WQTCZPQTKUYQCE-SFHVURJKSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001332949776 1390222648 /nfs/dbraw/zinc/22/26/48/1390222648.db2.gz LWJZYGCLZOOTCC-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001332972865 1390227386 /nfs/dbraw/zinc/22/73/86/1390227386.db2.gz UJCGWUGHILWJBW-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC001333138119 1390254542 /nfs/dbraw/zinc/25/45/42/1390254542.db2.gz LDRIGRKIVGPZCN-SOUVJXGZSA-N 2 0 343.393 3.376 10 0 EGAERP C[C@H](c1ccccc1)[N@H+]1CC=C(CNC(=O)CCCC[NH+](C)C)CC1 ZINC001333433347 1390303644 /nfs/dbraw/zinc/30/36/44/1390303644.db2.gz NTCXQIDBFBKPQH-GOSISDBHSA-N 2 0 343.515 3.228 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001333456894 1390308660 /nfs/dbraw/zinc/30/86/60/1390308660.db2.gz FHGFVUKANWVMES-UHFFFAOYSA-N 2 0 345.531 3.111 10 0 EGAERP C[C@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001334946070 1390624766 /nfs/dbraw/zinc/62/47/66/1390624766.db2.gz ZTHJIVBIIFQAKZ-IXDOHACOSA-N 2 0 337.552 3.074 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001698802157 1406479664 /nfs/dbraw/zinc/47/96/64/1406479664.db2.gz BWFHVUNWTGJWKP-MSOLQXFVSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001488747772 1391715503 /nfs/dbraw/zinc/71/55/03/1391715503.db2.gz ZERJYIKFHQGPHF-HCXYKTFWSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001488871769 1391736997 /nfs/dbraw/zinc/73/69/97/1391736997.db2.gz FJLPQWXRLJEKRC-FHWLQOOXSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC001698828217 1406521763 /nfs/dbraw/zinc/52/17/63/1406521763.db2.gz MCMOLKCZDBIHME-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001353344690 1391993120 /nfs/dbraw/zinc/99/31/20/1391993120.db2.gz IBEILDLRKBCQRG-IRXDYDNUSA-N 2 0 346.519 3.219 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001479326167 1392215146 /nfs/dbraw/zinc/21/51/46/1392215146.db2.gz BHCBNYQLDUMLFK-HDICACEKSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001479502559 1392259189 /nfs/dbraw/zinc/25/91/89/1392259189.db2.gz JZPJKVWBOCAPAO-HMECNJMJSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)[NH+](CC)CC ZINC001479691592 1392322995 /nfs/dbraw/zinc/32/29/95/1392322995.db2.gz CQRLTCMWTDPQJJ-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001479693978 1392325068 /nfs/dbraw/zinc/32/50/68/1392325068.db2.gz JHAJIKUXOKGWOL-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCCC(C)(C)C ZINC001479737913 1392350207 /nfs/dbraw/zinc/35/02/07/1392350207.db2.gz QIWAPSCQQWZZTI-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001479745155 1392360510 /nfs/dbraw/zinc/36/05/10/1392360510.db2.gz IUYXBJLNELXURG-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479747244 1392364150 /nfs/dbraw/zinc/36/41/50/1392364150.db2.gz YUGLAZIIFRFLJZ-IKSUFZCESA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)CCC(C)(C)C ZINC001479772681 1392379053 /nfs/dbraw/zinc/37/90/53/1392379053.db2.gz UOFIXNBSBGOIBN-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC001479829796 1392416614 /nfs/dbraw/zinc/41/66/14/1392416614.db2.gz OAFAJIGRMGCGLH-HKUYNNGSSA-N 2 0 347.547 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)Cc1ccccc1C ZINC001479855660 1392435385 /nfs/dbraw/zinc/43/53/85/1392435385.db2.gz CLLVEJWBZHSQAJ-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001479910094 1392477909 /nfs/dbraw/zinc/47/79/09/1392477909.db2.gz GHMHVPFAFGJNTQ-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860224 1406570053 /nfs/dbraw/zinc/57/00/53/1406570053.db2.gz IEVRFVHFGVFQOH-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC001480188106 1392618492 /nfs/dbraw/zinc/61/84/92/1392618492.db2.gz FMDOTGSHBBCGMV-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001480238625 1392631212 /nfs/dbraw/zinc/63/12/12/1392631212.db2.gz VUHPTDSUEZRPEF-WCIQWLHISA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480265759 1392650492 /nfs/dbraw/zinc/65/04/92/1392650492.db2.gz RCZKLWOFMYUZOB-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295917 1392664195 /nfs/dbraw/zinc/66/41/95/1392664195.db2.gz MMLMJOSSWWVXFH-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001480315544 1392676819 /nfs/dbraw/zinc/67/68/19/1392676819.db2.gz IBISVCULBOOQJK-CEXWTWQISA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1CCC(NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001480412503 1392747539 /nfs/dbraw/zinc/74/75/39/1392747539.db2.gz IYBPZDMRMQZXHF-VIQWUECVSA-N 2 0 345.531 3.413 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001480597274 1392812718 /nfs/dbraw/zinc/81/27/18/1392812718.db2.gz OIBOUFNQEBRQCL-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480710507 1392872849 /nfs/dbraw/zinc/87/28/49/1392872849.db2.gz RALNPMQMLZVJQS-OALUTQOASA-N 2 0 345.531 3.161 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480738052 1392904224 /nfs/dbraw/zinc/90/42/24/1392904224.db2.gz VOVARDFJHUCJHU-FQEVSTJZSA-N 2 0 345.531 3.475 10 0 EGAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001480787007 1392933298 /nfs/dbraw/zinc/93/32/98/1392933298.db2.gz XWAXIUGDLDXFEE-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)CC1CCCCC1 ZINC001480882777 1392997994 /nfs/dbraw/zinc/99/79/94/1392997994.db2.gz XWAJXHYKEKENHN-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](CCNC(=O)C1CC[NH+](C)CC1)CCC1CCCCC1 ZINC001481145572 1393133194 /nfs/dbraw/zinc/13/31/94/1393133194.db2.gz KVTBZIHZMQLTRH-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1csc(C)c1 ZINC001490335745 1393176066 /nfs/dbraw/zinc/17/60/66/1393176066.db2.gz LDBNPJVRROZOSR-UHFFFAOYSA-N 2 0 349.544 3.013 10 0 EGAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001698895954 1406628086 /nfs/dbraw/zinc/62/80/86/1406628086.db2.gz ZJZLBBSNTRPWLF-HKUYNNGSSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001698900602 1406633168 /nfs/dbraw/zinc/63/31/68/1406633168.db2.gz JEWGMONYCHAMIC-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707438476 1417343042 /nfs/dbraw/zinc/34/30/42/1417343042.db2.gz IXQHODKTQKJRDJ-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001698918968 1406653779 /nfs/dbraw/zinc/65/37/79/1406653779.db2.gz ZCWCJUKVBFZOAW-BBIZLLLXSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1)[NH+](C)C ZINC001481371416 1394212674 /nfs/dbraw/zinc/21/26/74/1394212674.db2.gz VKUJCUULIDPJDR-MSOLQXFVSA-N 2 0 333.520 3.210 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001481402129 1394252206 /nfs/dbraw/zinc/25/22/06/1394252206.db2.gz SSZLWWTVIOFQMM-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001481407027 1394261984 /nfs/dbraw/zinc/26/19/84/1394261984.db2.gz YKXZFUANKAPHGC-WOJBJXKFSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001698946236 1406686001 /nfs/dbraw/zinc/68/60/01/1406686001.db2.gz OFDGSETUGLWRRO-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001481433444 1394289749 /nfs/dbraw/zinc/28/97/49/1394289749.db2.gz VHJQDMPZMSLXDH-OBNUAKFSSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481451032 1394306151 /nfs/dbraw/zinc/30/61/51/1394306151.db2.gz PBTALKOXXUETSR-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481451041 1394306603 /nfs/dbraw/zinc/30/66/03/1394306603.db2.gz PBTALKOXXUETSR-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491048240 1394411199 /nfs/dbraw/zinc/41/11/99/1394411199.db2.gz RMXNNHWUKPQXBW-RMSIHPMPSA-N 2 0 347.547 3.377 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001491071356 1394419204 /nfs/dbraw/zinc/41/92/04/1394419204.db2.gz ZXRJGYQXJKBOFN-BGYRXZFFSA-N 2 0 343.515 3.033 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001491125443 1394442033 /nfs/dbraw/zinc/44/20/33/1394442033.db2.gz KOJBTTGPAPGZDE-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481743281 1394489343 /nfs/dbraw/zinc/48/93/43/1394489343.db2.gz CQKGZBXNDHKBRP-HMTUNPETSA-N 2 0 335.536 3.138 10 0 EGAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001491251327 1394491297 /nfs/dbraw/zinc/49/12/97/1394491297.db2.gz MGKKDSARXYJABJ-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001491253890 1394492873 /nfs/dbraw/zinc/49/28/73/1394492873.db2.gz WRMIAPZDQJMIGI-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001481778742 1394523610 /nfs/dbraw/zinc/52/36/10/1394523610.db2.gz NXXPXTQVPCVZMK-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001481941977 1394608418 /nfs/dbraw/zinc/60/84/18/1394608418.db2.gz YWVKKXLGDLOESV-UWJYYQICSA-N 2 0 347.547 3.093 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481986809 1394649234 /nfs/dbraw/zinc/64/92/34/1394649234.db2.gz WMRXOWWKCRJJDX-SGSXCFNPSA-N 2 0 349.563 3.293 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001482108591 1394750300 /nfs/dbraw/zinc/75/03/00/1394750300.db2.gz TZTOLISFQLPNSC-SJLPKXTDSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@H](C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)[NH+]1CCCCCC1 ZINC001482231392 1394826479 /nfs/dbraw/zinc/82/64/79/1394826479.db2.gz QMSCWOHGJVRCOU-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001482238270 1394834728 /nfs/dbraw/zinc/83/47/28/1394834728.db2.gz MBWVCAFEQHNSJK-UHFFFAOYSA-N 2 0 347.547 3.381 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482303001 1394879111 /nfs/dbraw/zinc/87/91/11/1394879111.db2.gz UIHOQGPKVBMXNV-KXPUMZMLSA-N 2 0 342.487 3.439 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481568 1395035487 /nfs/dbraw/zinc/03/54/87/1395035487.db2.gz ZXYCAHAKVAVZRZ-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001483915547 1395142940 /nfs/dbraw/zinc/14/29/40/1395142940.db2.gz XPZCFGCKEIJHOR-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001483959406 1395163321 /nfs/dbraw/zinc/16/33/21/1395163321.db2.gz SWPCCXOUMRGEJI-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001484023021 1395194531 /nfs/dbraw/zinc/19/45/31/1395194531.db2.gz UDTRERRUBFUWJY-FPOVZHCZSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001484145637 1395281820 /nfs/dbraw/zinc/28/18/20/1395281820.db2.gz XYRSVLGDKWXVMS-RURPWVQCSA-N 2 0 349.563 3.293 10 0 EGAERP CC[C@H](C(=O)NCc1ccc([C@H](C)[NH2+]CC=C(C)C)cc1)[NH+](C)C ZINC001484558274 1395440615 /nfs/dbraw/zinc/44/06/15/1395440615.db2.gz CPJXWAYHTAIGBF-QFBILLFUSA-N 2 0 331.504 3.260 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001484559741 1395442666 /nfs/dbraw/zinc/44/26/66/1395442666.db2.gz KJYFNJIHYVQRJL-VQIMIIECSA-N 2 0 345.531 3.484 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001484723857 1395487120 /nfs/dbraw/zinc/48/71/20/1395487120.db2.gz KQIZXCYCMQJVLW-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC1([NH2+]CC2CC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001484815913 1395550124 /nfs/dbraw/zinc/55/01/24/1395550124.db2.gz AAIXMWYBGJQKRR-SFHVURJKSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C2(C)CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001484927093 1395594710 /nfs/dbraw/zinc/59/47/10/1395594710.db2.gz HTNSLLAYCCALDB-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH+](C)Cc2ccccc2C)C1 ZINC001485342398 1395816090 /nfs/dbraw/zinc/81/60/90/1395816090.db2.gz SEGUVTUFIHFMRN-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP O=C(CCn1ccnc1)NC1(C[NH2+]CCC2CCCC2)CCCCC1 ZINC001485454180 1395923472 /nfs/dbraw/zinc/92/34/72/1395923472.db2.gz PGJUAKLRWGQLHH-UHFFFAOYSA-N 2 0 346.519 3.262 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]CCC3CC3)CCCCC2)C1 ZINC001485455198 1395924810 /nfs/dbraw/zinc/92/48/10/1395924810.db2.gz RPSWYUCSSCMSNE-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485467093 1395941724 /nfs/dbraw/zinc/94/17/24/1395941724.db2.gz ZRAOMLVNSBEIBO-RBUKOAKNSA-N 2 0 335.536 3.236 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485476627 1395953420 /nfs/dbraw/zinc/95/34/20/1395953420.db2.gz MRLJSBBTAOAIAT-CEXWTWQISA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001485666229 1396094187 /nfs/dbraw/zinc/09/41/87/1396094187.db2.gz ZRUPHSJKBWIIJT-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001485702706 1396109471 /nfs/dbraw/zinc/10/94/71/1396109471.db2.gz ZAFYHQORJVUTRF-IHPCNDPISA-N 2 0 343.515 3.130 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485735110 1396122725 /nfs/dbraw/zinc/12/27/25/1396122725.db2.gz CRECFXSEHBEVHJ-AOIWGVFYSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001485759357 1396135441 /nfs/dbraw/zinc/13/54/41/1396135441.db2.gz RITKOPSSFVYUIE-WOJBJXKFSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001485781743 1396151706 /nfs/dbraw/zinc/15/17/06/1396151706.db2.gz CEVPUDKRLGJLTP-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247120 1396188759 /nfs/dbraw/zinc/18/87/59/1396188759.db2.gz YMKLSOZWFHNOKS-MJGOQNOKSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](CC)[NH+](C)C)C2 ZINC001501171777 1396189357 /nfs/dbraw/zinc/18/93/57/1396189357.db2.gz HPQHDDIXYPPLDV-MWMLXTMESA-N 2 0 335.536 3.042 10 0 EGAERP CC/C=C/CC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001502647158 1396211757 /nfs/dbraw/zinc/21/17/57/1396211757.db2.gz HEAKNOMEJJGJGM-SGSXCFNPSA-N 2 0 341.499 3.069 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001502987188 1396238010 /nfs/dbraw/zinc/23/80/10/1396238010.db2.gz LPFNVIKEFNEKDP-PVTFFILZSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001503000448 1396239247 /nfs/dbraw/zinc/23/92/47/1396239247.db2.gz DLNKAUANUFAWSN-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCCC1 ZINC001503200377 1396247320 /nfs/dbraw/zinc/24/73/20/1396247320.db2.gz ATQNWSQDVOLBSF-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001503553459 1396258901 /nfs/dbraw/zinc/25/89/01/1396258901.db2.gz XFBTXZKNSZTZPV-SFHVURJKSA-N 2 0 349.563 3.482 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491965973 1396301337 /nfs/dbraw/zinc/30/13/37/1396301337.db2.gz WIEQAXOCDGIDGO-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001495959980 1396578789 /nfs/dbraw/zinc/57/87/89/1396578789.db2.gz QJCGRRZYOFEDON-LJQANCHMSA-N 2 0 343.515 3.034 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001496320909 1396648766 /nfs/dbraw/zinc/64/87/66/1396648766.db2.gz RPHIZGWVIXAWPV-IBGZPJMESA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497298582 1396745781 /nfs/dbraw/zinc/74/57/81/1396745781.db2.gz HSAHKYTYKJBEOI-MRXNPFEDSA-N 2 0 337.552 3.029 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCCC1CCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497615031 1396773657 /nfs/dbraw/zinc/77/36/57/1396773657.db2.gz ZBGNEFOAUGMLGE-UVEXCMSLSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCC1 ZINC001497691195 1396785999 /nfs/dbraw/zinc/78/59/99/1396785999.db2.gz KLGKDMSTRNLSGS-UCFODXPJSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001689052211 1396847587 /nfs/dbraw/zinc/84/75/87/1396847587.db2.gz JZTZDKWTRGPUPR-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001689059306 1396860997 /nfs/dbraw/zinc/86/09/97/1396860997.db2.gz VWKCGOSZCIRLSV-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001689146618 1396947799 /nfs/dbraw/zinc/94/77/99/1396947799.db2.gz LTGDOVKNYYMMQI-QRQLOZEOSA-N 2 0 337.552 3.124 10 0 EGAERP CCc1ccc(C[N@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]2CC)cc1 ZINC001689192622 1396967026 /nfs/dbraw/zinc/96/70/26/1396967026.db2.gz LXIIVCUDPWDDOH-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267993 1396999375 /nfs/dbraw/zinc/99/93/75/1396999375.db2.gz VSFKTQIVQQFYNH-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001689906746 1404199974 /nfs/dbraw/zinc/19/99/74/1404199974.db2.gz URISTJQUNKSELT-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CCCCC1 ZINC001689939679 1404218432 /nfs/dbraw/zinc/21/84/32/1404218432.db2.gz ZQVALUQGAMNYOC-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001690030177 1404268850 /nfs/dbraw/zinc/26/88/50/1404268850.db2.gz URKNKJJEBZKXFY-IEBWSBKVSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001690030815 1404269595 /nfs/dbraw/zinc/26/95/95/1404269595.db2.gz KSDCDIFJFHERDK-UHFFFAOYSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001690302044 1404461293 /nfs/dbraw/zinc/46/12/93/1404461293.db2.gz UINRYZQOPSRAEJ-VDGAXYAQSA-N 2 0 345.531 3.448 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001690391806 1404531292 /nfs/dbraw/zinc/53/12/92/1404531292.db2.gz KBXFSMAHCRVIGM-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001690392263 1404534013 /nfs/dbraw/zinc/53/40/13/1404534013.db2.gz TXHAUHGNNWSNDO-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690436976 1404559528 /nfs/dbraw/zinc/55/95/28/1404559528.db2.gz UKAGVILNZNTUNM-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001690532384 1404624338 /nfs/dbraw/zinc/62/43/38/1404624338.db2.gz KLOGMQTZONADDZ-DAWZGUTISA-N 2 0 337.552 3.312 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001690772067 1404721543 /nfs/dbraw/zinc/72/15/43/1404721543.db2.gz NNGUJVVAEGFIPP-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001690814104 1404749028 /nfs/dbraw/zinc/74/90/28/1404749028.db2.gz AOBMVKKFPXAFAT-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001690845055 1404773511 /nfs/dbraw/zinc/77/35/11/1404773511.db2.gz XSKKCJVVXXIIHQ-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCC1 ZINC001690850202 1404776367 /nfs/dbraw/zinc/77/63/67/1404776367.db2.gz TUJXSKQXTGIUPT-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001690857246 1404779998 /nfs/dbraw/zinc/77/99/98/1404779998.db2.gz FTDULFCKBSARSH-KRWDZBQOSA-N 2 0 335.536 3.236 10 0 EGAERP CC1CCC(C[N@H+](C)CCNC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001690984844 1404898738 /nfs/dbraw/zinc/89/87/38/1404898738.db2.gz IJGXYTDZBJLHQQ-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001691171238 1405106925 /nfs/dbraw/zinc/10/69/25/1405106925.db2.gz PUPLEHWXZQWXEF-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP CC(C)(C)CC[N@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)C1CC1 ZINC001691233087 1405172954 /nfs/dbraw/zinc/17/29/54/1405172954.db2.gz XLKRTQUAKPMLQW-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691277253 1405189011 /nfs/dbraw/zinc/18/90/11/1405189011.db2.gz UNIRQGPVIXWQST-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH+](CC=C(C)C)CC2 ZINC001691277230 1405189130 /nfs/dbraw/zinc/18/91/30/1405189130.db2.gz TVYYJNHQLJPTRZ-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001691475361 1405292058 /nfs/dbraw/zinc/29/20/58/1405292058.db2.gz OQWOHLIZFKOCGH-BKFNIVOESA-N 2 0 335.536 3.185 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001691508203 1405310306 /nfs/dbraw/zinc/31/03/06/1405310306.db2.gz HCXIVQJWDKRCFS-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001691604600 1405353093 /nfs/dbraw/zinc/35/30/93/1405353093.db2.gz ROVNNSUIIKONEF-OTWHNJEPSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001691621674 1405361964 /nfs/dbraw/zinc/36/19/64/1405361964.db2.gz YHAUPTJUVTYZMG-YESZJQIVSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001691635949 1405371955 /nfs/dbraw/zinc/37/19/55/1405371955.db2.gz BCCQRLCSAUAYIO-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001691685076 1405420434 /nfs/dbraw/zinc/42/04/34/1405420434.db2.gz UXKSXWZUKNMNLE-AEFFLSMTSA-N 2 0 347.547 3.020 10 0 EGAERP CCCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691726570 1405450113 /nfs/dbraw/zinc/45/01/13/1405450113.db2.gz BDIFPXZVYGDKFE-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(C)c(C)c2)[C@@H]1C ZINC001691748508 1405467638 /nfs/dbraw/zinc/46/76/38/1405467638.db2.gz QUQOYCBGHNJDCL-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC=C(C)C)[NH+](CC)CC ZINC001691793799 1405503773 /nfs/dbraw/zinc/50/37/73/1405503773.db2.gz CHODOKXZNLQYAY-OALUTQOASA-N 2 0 337.552 3.386 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001691796763 1405508099 /nfs/dbraw/zinc/50/80/99/1405508099.db2.gz NMBGNRSTZMTOLO-MJGOQNOKSA-N 2 0 331.504 3.108 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691817802 1405532221 /nfs/dbraw/zinc/53/22/21/1405532221.db2.gz HVDPJZCMEPYTRW-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCF)CC(C)(C)C1)[NH+](CC)CC ZINC001691819331 1405535983 /nfs/dbraw/zinc/53/59/83/1405535983.db2.gz SRBMROXNQYDUSB-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001691837969 1405550547 /nfs/dbraw/zinc/55/05/47/1405550547.db2.gz SXEHSWJHIWCTSM-MDZRGWNJSA-N 2 0 349.494 3.055 10 0 EGAERP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001691853626 1405570351 /nfs/dbraw/zinc/57/03/51/1405570351.db2.gz ZZHHKNIUXQELEO-SFHVURJKSA-N 2 0 349.544 3.045 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691861091 1405578975 /nfs/dbraw/zinc/57/89/75/1405578975.db2.gz QHTZYYWICFOEKU-MOPGFXCFSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001731421025 1427398371 /nfs/dbraw/zinc/39/83/71/1427398371.db2.gz CIQBTZWJVJHGCT-AZUAARDMSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001691911753 1405635774 /nfs/dbraw/zinc/63/57/74/1405635774.db2.gz BIVFQIRGICXXMP-UNQUKWGNSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001691911752 1405636214 /nfs/dbraw/zinc/63/62/14/1405636214.db2.gz BIVFQIRGICXXMP-UHDDOPSISA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691960249 1405677612 /nfs/dbraw/zinc/67/76/12/1405677612.db2.gz NOUUBJUWXOYGDY-OVKVCFKUSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001691976425 1405690827 /nfs/dbraw/zinc/69/08/27/1405690827.db2.gz REZUXOWCSHESEB-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C)cc2C)[C@@H]1CC)[NH+](C)C ZINC001692011745 1405730854 /nfs/dbraw/zinc/73/08/54/1405730854.db2.gz DXMCXEFBWPHRIM-ZCNNSNEGSA-N 2 0 345.531 3.113 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692053217 1405753599 /nfs/dbraw/zinc/75/35/99/1405753599.db2.gz ZWEPPPYOYKFVTE-OBNUAKFSSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1CCCC(C)(C)C ZINC001692194690 1405834674 /nfs/dbraw/zinc/83/46/74/1405834674.db2.gz GKUJIKVKTYWEAU-ZWKOTPCHSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CC2(CCC2)C1 ZINC001731804839 1427973924 /nfs/dbraw/zinc/97/39/24/1427973924.db2.gz CKMJIFPNGNMMGR-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001692236483 1405863072 /nfs/dbraw/zinc/86/30/72/1405863072.db2.gz CZXNCZRFHUEEEV-HOHRJFBBSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698569129 1406173205 /nfs/dbraw/zinc/17/32/05/1406173205.db2.gz KBYVJZMHMKMZEX-QZEKMECESA-N 2 0 337.552 3.243 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001698574557 1406181458 /nfs/dbraw/zinc/18/14/58/1406181458.db2.gz GBOXWVAHAORAHH-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698595861 1406220019 /nfs/dbraw/zinc/22/00/19/1406220019.db2.gz HFNHIAMCMJEODM-PMACEKPBSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001732022677 1428240671 /nfs/dbraw/zinc/24/06/71/1428240671.db2.gz BNLBYWYMGOQGDC-PKOBYXMFSA-N 2 0 331.504 3.106 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732036446 1428258042 /nfs/dbraw/zinc/25/80/42/1428258042.db2.gz UQFUDCFWOSXEGR-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001732039228 1428265018 /nfs/dbraw/zinc/26/50/18/1428265018.db2.gz QJYHVQUSOVEANP-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732078979 1428331494 /nfs/dbraw/zinc/33/14/94/1428331494.db2.gz BSGHHXFZLIVGKH-RTBURBONSA-N 2 0 345.531 3.260 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001732082854 1428338570 /nfs/dbraw/zinc/33/85/70/1428338570.db2.gz FTVVBZANGPELOW-IRXDYDNUSA-N 2 0 349.494 3.007 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732170625 1428414775 /nfs/dbraw/zinc/41/47/75/1428414775.db2.gz OKVASTQPQGMOOS-AQKVLALTSA-N 2 0 349.563 3.386 10 0 EGAERP CCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001732185560 1428434481 /nfs/dbraw/zinc/43/44/81/1428434481.db2.gz GMCFDGKLPWZOFU-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001732301261 1428519507 /nfs/dbraw/zinc/51/95/07/1428519507.db2.gz IUWKZGDHBLRPQO-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001732316358 1428527587 /nfs/dbraw/zinc/52/75/87/1428527587.db2.gz OPGUBDYJLHXPQF-DPZZJQGRSA-N 2 0 343.515 3.233 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732354820 1428545995 /nfs/dbraw/zinc/54/59/95/1428545995.db2.gz BHBVVKHWXLLPAQ-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)CC[NH+](C)C)CCCC1)c1ccccc1 ZINC001732395812 1428563320 /nfs/dbraw/zinc/56/33/20/1428563320.db2.gz UOTUBJXKQNLYOE-SFHVURJKSA-N 2 0 331.504 3.108 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732423978 1428575248 /nfs/dbraw/zinc/57/52/48/1428575248.db2.gz BSHHWEAZWXQZLX-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001732470437 1428599109 /nfs/dbraw/zinc/59/91/09/1428599109.db2.gz CQEUIKFNPXAEFG-MOPGFXCFSA-N 2 0 345.531 3.272 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001732477661 1428603763 /nfs/dbraw/zinc/60/37/63/1428603763.db2.gz PRVYQSDXHMRXAZ-WOJBJXKFSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001732514457 1428633961 /nfs/dbraw/zinc/63/39/61/1428633961.db2.gz MEPBFHRKYSAUPH-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732534592 1428655038 /nfs/dbraw/zinc/65/50/38/1428655038.db2.gz XWGPKSISGZTGCI-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114380 1412516669 /nfs/dbraw/zinc/51/66/69/1412516669.db2.gz GIXATDIWVCLFBK-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001699312974 1412632612 /nfs/dbraw/zinc/63/26/12/1412632612.db2.gz BBRHVCAMQIVGPY-ZEVQVBBLSA-N 2 0 333.520 3.013 10 0 EGAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001699324306 1412639541 /nfs/dbraw/zinc/63/95/41/1412639541.db2.gz LDTPHNRSSXCPKE-WGLWSTOQSA-N 2 0 349.563 3.197 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001699359087 1412665515 /nfs/dbraw/zinc/66/55/15/1412665515.db2.gz SSURGJRELUIRKB-XLIONFOSSA-N 2 0 345.531 3.277 10 0 EGAERP Cc1c(C(=O)N[C@H](C)C[N@H+](C)CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001699449247 1412786725 /nfs/dbraw/zinc/78/67/25/1412786725.db2.gz FEOCMVDSOPCOKQ-OAHLLOKOSA-N 2 0 340.471 3.193 10 0 EGAERP C[C@H](C[N@H+](C)[C@H](C)c1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699452364 1412793068 /nfs/dbraw/zinc/79/30/68/1412793068.db2.gz GZOSXFLWZCHVEB-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CC2CCCCC2)C1 ZINC001699461255 1412815455 /nfs/dbraw/zinc/81/54/55/1412815455.db2.gz ICRADLCYBJPNQQ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC001699474966 1412867290 /nfs/dbraw/zinc/86/72/90/1412867290.db2.gz ZOKLBPXOVVCIGL-HUUCEWRRSA-N 2 0 339.911 3.178 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001699483011 1412878015 /nfs/dbraw/zinc/87/80/15/1412878015.db2.gz NBTKUWUWZFGREW-QZTJIDSGSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001699654087 1413036513 /nfs/dbraw/zinc/03/65/13/1413036513.db2.gz BLJWQOQNARPIFQ-GOSISDBHSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CC1)c1cccc(F)c1 ZINC001699676158 1413069703 /nfs/dbraw/zinc/06/97/03/1413069703.db2.gz PKEKQFYGPIPTDJ-MRXNPFEDSA-N 2 0 347.478 3.001 10 0 EGAERP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699681754 1413076085 /nfs/dbraw/zinc/07/60/85/1413076085.db2.gz ZADCPOHAGSTALK-UMQXSMKFSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001699704782 1413119598 /nfs/dbraw/zinc/11/95/98/1413119598.db2.gz VYGOKPGYQPVDIK-HXUWFJFHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001699739961 1413150888 /nfs/dbraw/zinc/15/08/88/1413150888.db2.gz XACFYOLGCSHHHL-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699743636 1413154498 /nfs/dbraw/zinc/15/44/98/1413154498.db2.gz PNQUWSHJFHZTPD-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001699766240 1413171266 /nfs/dbraw/zinc/17/12/66/1413171266.db2.gz QKEHLIQAFLHCOY-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CC[C@H](C(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001699773801 1413182127 /nfs/dbraw/zinc/18/21/27/1413182127.db2.gz GPZJBVIVRWXNPC-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001699836680 1413265195 /nfs/dbraw/zinc/26/51/95/1413265195.db2.gz JVRZMIXWNHFNIQ-YFVAEKQCSA-N 2 0 347.547 3.045 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001699866547 1413305309 /nfs/dbraw/zinc/30/53/09/1413305309.db2.gz BZSUYCYNIJVHCV-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001699866583 1413305373 /nfs/dbraw/zinc/30/53/73/1413305373.db2.gz CQTJPIRHJWTQGJ-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001699976466 1413418160 /nfs/dbraw/zinc/41/81/60/1413418160.db2.gz XKKYNFKWDCZGGX-FNLKRUPLSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)CCC1 ZINC001700064764 1413482013 /nfs/dbraw/zinc/48/20/13/1413482013.db2.gz DYUABQXMPSAKAP-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001700101519 1413519106 /nfs/dbraw/zinc/51/91/06/1413519106.db2.gz IDMQAQVQTRHJKL-LWYYNNOASA-N 2 0 347.547 3.068 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CCC1 ZINC001700137587 1413556341 /nfs/dbraw/zinc/55/63/41/1413556341.db2.gz WUCNIHWHBMBOHK-GOSISDBHSA-N 2 0 335.536 3.212 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCC2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001700139368 1413558691 /nfs/dbraw/zinc/55/86/91/1413558691.db2.gz ZBYPLFYVZCMAJP-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCC3CCCC3)CCC2)C1 ZINC001700142451 1413564254 /nfs/dbraw/zinc/56/42/54/1413564254.db2.gz WSOMRXLWVRUREH-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP Cc1cc(C[NH2+]C2(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)CCC2)cs1 ZINC001700142801 1413565116 /nfs/dbraw/zinc/56/51/16/1413565116.db2.gz FIWMEYUVGXMMFL-HUUCEWRRSA-N 2 0 349.544 3.058 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001700179477 1413590558 /nfs/dbraw/zinc/59/05/58/1413590558.db2.gz QQHWLKGNJJHBOF-YSNLUETFSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[NH+]1CCC(CCCCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001700224057 1413673926 /nfs/dbraw/zinc/67/39/26/1413673926.db2.gz LZAMUBUXPANOLC-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001700228743 1413685767 /nfs/dbraw/zinc/68/57/67/1413685767.db2.gz FHEWUUHFGLITCQ-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001700263830 1413710832 /nfs/dbraw/zinc/71/08/32/1413710832.db2.gz LKNOMRBDKPTJHW-RJOJHWARSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001700264784 1413711544 /nfs/dbraw/zinc/71/15/44/1413711544.db2.gz ZXOVHHJZEOLQDY-FUHWJXTLSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312433 1413767425 /nfs/dbraw/zinc/76/74/25/1413767425.db2.gz AJKSTGVUTFAFHL-WMZOPIPTSA-N 2 0 347.547 3.020 10 0 EGAERP CC[C@H]([NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C)c1ccc(F)cc1 ZINC001732571208 1428766756 /nfs/dbraw/zinc/76/67/56/1428766756.db2.gz ZIZYSJZRWRSWBJ-OALUTQOASA-N 2 0 349.494 3.103 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700419944 1413969171 /nfs/dbraw/zinc/96/91/71/1413969171.db2.gz AYVAKPQRQNLPLC-RBUKOAKNSA-N 2 0 345.531 3.018 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001732573954 1428771977 /nfs/dbraw/zinc/77/19/77/1428771977.db2.gz SWDOHYWYYCOSMK-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001700460388 1414056471 /nfs/dbraw/zinc/05/64/71/1414056471.db2.gz JDJHDKUTFZBYQL-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001700482611 1414122505 /nfs/dbraw/zinc/12/25/05/1414122505.db2.gz BIVIIOZYIUHEAP-PKOBYXMFSA-N 2 0 345.531 3.088 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700519084 1414173549 /nfs/dbraw/zinc/17/35/49/1414173549.db2.gz MEMSOWZWXDGTRA-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001700522165 1414177936 /nfs/dbraw/zinc/17/79/36/1414177936.db2.gz NSLJBFMOPQPJJS-PXNSSMCTSA-N 2 0 337.552 3.173 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001700526442 1414188184 /nfs/dbraw/zinc/18/81/84/1414188184.db2.gz YXHUXZJKUXSMEG-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001700570120 1414239395 /nfs/dbraw/zinc/23/93/95/1414239395.db2.gz COYKFLCPDUGUCG-MSOLQXFVSA-N 2 0 337.552 3.122 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001700641306 1414307553 /nfs/dbraw/zinc/30/75/53/1414307553.db2.gz TVPCKJJTLYSPEG-SZMVWBNQSA-N 2 0 346.519 3.043 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588388 1428806162 /nfs/dbraw/zinc/80/61/62/1428806162.db2.gz KNDPBXQWJJWNNN-MRXNPFEDSA-N 2 0 349.494 3.151 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001700750712 1414420180 /nfs/dbraw/zinc/42/01/80/1414420180.db2.gz DJLUMWVIQMIFKN-XLIONFOSSA-N 2 0 343.515 3.030 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H]1C ZINC001700830392 1414484445 /nfs/dbraw/zinc/48/44/45/1414484445.db2.gz ULFAQEJPHAYVEX-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1CCCC1)CC2)CC(C)(C)C ZINC001700863523 1414513245 /nfs/dbraw/zinc/51/32/45/1414513245.db2.gz NYAXHPJPVOIEQM-RXVVDRJESA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001700863878 1414514473 /nfs/dbraw/zinc/51/44/73/1414514473.db2.gz CWVHEPNNJKUKKA-LQWHRVPQSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2)C1CCC1 ZINC001700869015 1414522019 /nfs/dbraw/zinc/52/20/19/1414522019.db2.gz YNLXBQOZLBCWAB-TZIWHRDSSA-N 2 0 345.531 3.084 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1=CCCCC1)CC2)C1CCC1 ZINC001700869014 1414522192 /nfs/dbraw/zinc/52/21/92/1414522192.db2.gz YNLXBQOZLBCWAB-PZJWPPBQSA-N 2 0 345.531 3.084 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001700900642 1414555947 /nfs/dbraw/zinc/55/59/47/1414555947.db2.gz ZHEIMGIMUOJNCW-HKVCONOFSA-N 2 0 347.547 3.236 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001700921167 1414573116 /nfs/dbraw/zinc/57/31/16/1414573116.db2.gz JCTRUBCFXVTXTM-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C(C)(C)C ZINC001700999753 1414651151 /nfs/dbraw/zinc/65/11/51/1414651151.db2.gz BHCVQHYUUHYBPH-GOSISDBHSA-N 2 0 337.552 3.339 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@H](C)c1ccccc1)C(C)(C)C ZINC001701001260 1414653593 /nfs/dbraw/zinc/65/35/93/1414653593.db2.gz NUOFUEVALJHBCF-AEFFLSMTSA-N 2 0 333.520 3.208 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001701010933 1414670236 /nfs/dbraw/zinc/67/02/36/1414670236.db2.gz KRDGOWMDEOGQSI-XFHJGTJQSA-N 2 0 347.547 3.045 10 0 EGAERP CCN(CC[NH2+]CC/C=C/c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001732783084 1428968081 /nfs/dbraw/zinc/96/80/81/1428968081.db2.gz WBNOSMLVYIYSSO-NBSXQYNISA-N 2 0 343.515 3.012 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001732914093 1429044760 /nfs/dbraw/zinc/04/47/60/1429044760.db2.gz OYCKGHQBGKTRCM-OVKVCFKUSA-N 2 0 343.515 3.050 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001732914092 1429044862 /nfs/dbraw/zinc/04/48/62/1429044862.db2.gz OYCKGHQBGKTRCM-LIXSYLKWSA-N 2 0 343.515 3.050 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001732982877 1429110045 /nfs/dbraw/zinc/11/00/45/1429110045.db2.gz DDSBLPMDCOIZCV-UYAOXDASSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)NC(=O)C[NH+]1CCCC1 ZINC001733023939 1429143422 /nfs/dbraw/zinc/14/34/22/1429143422.db2.gz CYLHDXFVZFASRE-KRWDZBQOSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001707057967 1417173935 /nfs/dbraw/zinc/17/39/35/1417173935.db2.gz CQKHXWYSNDXEHF-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001707142454 1417220304 /nfs/dbraw/zinc/22/03/04/1417220304.db2.gz NMVPYZCVSQPHTC-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001707172844 1417228517 /nfs/dbraw/zinc/22/85/17/1417228517.db2.gz FIZOOQNZZAUTKN-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001707237210 1417258164 /nfs/dbraw/zinc/25/81/64/1417258164.db2.gz GZXLMASNPCOWOP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001707239019 1417259584 /nfs/dbraw/zinc/25/95/84/1417259584.db2.gz VDSZEAJZFFOCKB-VZSQWMKGSA-N 2 0 346.519 3.450 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001707249017 1417265810 /nfs/dbraw/zinc/26/58/10/1417265810.db2.gz VKPYEQJZGPDHPH-WWAPKCSDSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1 ZINC001707274946 1417281957 /nfs/dbraw/zinc/28/19/57/1417281957.db2.gz ITOPIHSULNKKHV-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCCC1 ZINC001707278986 1417286693 /nfs/dbraw/zinc/28/66/93/1417286693.db2.gz UDTJLUPQWVEXQY-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001707376637 1417301116 /nfs/dbraw/zinc/30/11/16/1417301116.db2.gz CWQQRPXXIDYKCT-QFBILLFUSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)Cc2ccc(C)cc2)C1 ZINC001707400224 1417315176 /nfs/dbraw/zinc/31/51/76/1417315176.db2.gz MVFULSHMHAYVCE-FQEVSTJZSA-N 2 0 345.531 3.055 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CC1CCC2(CC2)CC1)C1CC1 ZINC001707477624 1417375105 /nfs/dbraw/zinc/37/51/05/1417375105.db2.gz ZSHVPAVTIZQEJK-LJQANCHMSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121511 1417687671 /nfs/dbraw/zinc/68/76/71/1417687671.db2.gz LASYHACWBZJZEY-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C)CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001713145094 1417727657 /nfs/dbraw/zinc/72/76/57/1417727657.db2.gz NEPFJANHCZPQCY-KDURUIRLSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713166411 1417740741 /nfs/dbraw/zinc/74/07/41/1417740741.db2.gz RMXNNHWUKPQXBW-SQWGJZLYSA-N 2 0 347.547 3.377 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713199754 1417770803 /nfs/dbraw/zinc/77/08/03/1417770803.db2.gz NTJREWHKLCVZBQ-ZIFCJYIRSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713246924 1417832953 /nfs/dbraw/zinc/83/29/53/1417832953.db2.gz UTQBDHBLEAVMDV-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001713256450 1417856538 /nfs/dbraw/zinc/85/65/38/1417856538.db2.gz GVSGVHMWIQNPEJ-PRPIBZDOSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001713266034 1417874440 /nfs/dbraw/zinc/87/44/40/1417874440.db2.gz FCFIMQMCIVTYHQ-DVBCCOPCSA-N 2 0 337.552 3.291 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713311325 1417935691 /nfs/dbraw/zinc/93/56/91/1417935691.db2.gz NETHLUTXMBIVCD-ZLKFPQNLSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCCC2CCCC2)C1 ZINC001713401847 1418025114 /nfs/dbraw/zinc/02/51/14/1418025114.db2.gz URSFKVUHYLNSMB-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C/c1ccccc1 ZINC001713414916 1418038606 /nfs/dbraw/zinc/03/86/06/1418038606.db2.gz QGQANUZOKUCTGY-AISMNMOMSA-N 2 0 343.515 3.059 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001713436046 1418066253 /nfs/dbraw/zinc/06/62/53/1418066253.db2.gz CXSOEAFVPHFWGK-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001733084873 1429237365 /nfs/dbraw/zinc/23/73/65/1429237365.db2.gz YSQLNJVDDOUCEN-WOJBJXKFSA-N 2 0 349.563 3.317 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CCC1CCCC1 ZINC001713496235 1418204600 /nfs/dbraw/zinc/20/46/00/1418204600.db2.gz NSDHIMKQGPAPTR-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001713506699 1418229640 /nfs/dbraw/zinc/22/96/40/1418229640.db2.gz YLFYXGKCXVQAOZ-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713592393 1418386780 /nfs/dbraw/zinc/38/67/80/1418386780.db2.gz UJVPECGPWZQUDV-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CN(CC[NH2+]CCCC(C)(C)C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713618196 1418395613 /nfs/dbraw/zinc/39/56/13/1418395613.db2.gz PUXPVEMTSKUNCZ-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP C[C@H](C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1)[NH+]1CCCCCC1 ZINC001713705049 1418464559 /nfs/dbraw/zinc/46/45/59/1418464559.db2.gz QJSPMXYHIYEOAO-XLIONFOSSA-N 2 0 343.515 3.108 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001713716267 1418482140 /nfs/dbraw/zinc/48/21/40/1418482140.db2.gz LVJSKOLHFFIUOB-CNUAAPAUSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713783414 1418600020 /nfs/dbraw/zinc/60/00/20/1418600020.db2.gz IKHPSXBUJQMDHN-UHFFFAOYSA-N 2 0 339.568 3.323 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001713784983 1418601698 /nfs/dbraw/zinc/60/16/98/1418601698.db2.gz CLLSVSUTKZPZEO-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792448 1418610891 /nfs/dbraw/zinc/61/08/91/1418610891.db2.gz UENRHNCUKVTCMU-WYNBNGFRSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001713849224 1418645170 /nfs/dbraw/zinc/64/51/70/1418645170.db2.gz FCCFDQMIIBOYFX-ZMBJWTFHSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713897377 1418695659 /nfs/dbraw/zinc/69/56/59/1418695659.db2.gz RWXWXWCIWMIDDT-PRPIBZDOSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713965025 1418744817 /nfs/dbraw/zinc/74/48/17/1418744817.db2.gz UQXIDHHQOCKWLU-WTGUMLROSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CC3CCCC3)CC[C@@H]21 ZINC001713977650 1418758107 /nfs/dbraw/zinc/75/81/07/1418758107.db2.gz ILLVNFIEPNQFHI-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001714049479 1418847412 /nfs/dbraw/zinc/84/74/12/1418847412.db2.gz WPXMDOHVHPRJKZ-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001714049477 1418847484 /nfs/dbraw/zinc/84/74/84/1418847484.db2.gz WPXMDOHVHPRJKZ-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714078078 1418872253 /nfs/dbraw/zinc/87/22/53/1418872253.db2.gz BZDLEJCQPGMRSV-AZUAARDMSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001714104745 1418903684 /nfs/dbraw/zinc/90/36/84/1418903684.db2.gz UJZPJLYKNBEWNH-OALUTQOASA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccccc1F ZINC001714105632 1418904755 /nfs/dbraw/zinc/90/47/55/1418904755.db2.gz BPOZIVMCIHIAFV-HKUYNNGSSA-N 2 0 349.494 3.073 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC001714125668 1418930661 /nfs/dbraw/zinc/93/06/61/1418930661.db2.gz ZZDUGMKYSHNPGS-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714127442 1418931855 /nfs/dbraw/zinc/93/18/55/1418931855.db2.gz DVJMDNAMCHNSLF-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150063 1418955617 /nfs/dbraw/zinc/95/56/17/1418955617.db2.gz JILVXXHINRTJNL-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001714239945 1419029316 /nfs/dbraw/zinc/02/93/16/1419029316.db2.gz YVEIZGNUQWGJJQ-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@@H]1CC ZINC001733200311 1429304314 /nfs/dbraw/zinc/30/43/14/1429304314.db2.gz QLKWXKKNEGDAKQ-MNVMYWNISA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001714274905 1419055441 /nfs/dbraw/zinc/05/54/41/1419055441.db2.gz XBSYMCDNFGMUEB-ROUUACIJSA-N 2 0 347.547 3.437 10 0 EGAERP C[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275325 1419055902 /nfs/dbraw/zinc/05/59/02/1419055902.db2.gz YQLSZTOZTFHPJP-HNAYVOBHSA-N 2 0 343.531 3.120 10 0 EGAERP C[C@@H](CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCC(C)(C)C ZINC001714275329 1419055954 /nfs/dbraw/zinc/05/59/54/1419055954.db2.gz YQLSZTOZTFHPJP-KXBFYZLASA-N 2 0 343.531 3.120 10 0 EGAERP CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001714277247 1419057297 /nfs/dbraw/zinc/05/72/97/1419057297.db2.gz SIQWJSWOKVSAHW-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001714282529 1419062732 /nfs/dbraw/zinc/06/27/32/1419062732.db2.gz UMHWIHLDFCXOCL-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C/c2ccccc2)CC1 ZINC001714316771 1419095092 /nfs/dbraw/zinc/09/50/92/1419095092.db2.gz BQKQQEVPDBPTAF-VLDZCOSFSA-N 2 0 343.515 3.057 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400741 1419144031 /nfs/dbraw/zinc/14/40/31/1419144031.db2.gz DORUUYXXRDMJAP-MSOLQXFVSA-N 2 0 347.547 3.068 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001714407775 1419148491 /nfs/dbraw/zinc/14/84/91/1419148491.db2.gz NEUVTHIAHQLVPM-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714418032 1419155093 /nfs/dbraw/zinc/15/50/93/1419155093.db2.gz UHERHLGXCXGFHQ-RTBURBONSA-N 2 0 331.504 3.179 10 0 EGAERP CC1(C)CC(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001714418252 1419155160 /nfs/dbraw/zinc/15/51/60/1419155160.db2.gz XFKMMLHVBWAFDE-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714448913 1419181594 /nfs/dbraw/zinc/18/15/94/1419181594.db2.gz NBRCFMKXISZBHN-QGZVFWFLSA-N 2 0 339.568 3.323 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714453133 1419185799 /nfs/dbraw/zinc/18/57/99/1419185799.db2.gz HDFADKGXJHPVDD-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001714497741 1419221935 /nfs/dbraw/zinc/22/19/35/1419221935.db2.gz YLBQSZVTEZDUEQ-LJQANCHMSA-N 2 0 347.547 3.380 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001714510027 1419237544 /nfs/dbraw/zinc/23/75/44/1419237544.db2.gz FTUZQRDWLZOLRE-MOPGFXCFSA-N 2 0 349.563 3.317 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001714511969 1419239223 /nfs/dbraw/zinc/23/92/23/1419239223.db2.gz CXSOEAFVPHFWGK-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001714522493 1419248610 /nfs/dbraw/zinc/24/86/10/1419248610.db2.gz TWOMKAQWYPLKGI-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC=C(C)C)C1 ZINC001714525396 1419251732 /nfs/dbraw/zinc/25/17/32/1419251732.db2.gz WYDIEWZFAVJHPB-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CCc1ccc(C[N@H+](CC)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001714587881 1419332761 /nfs/dbraw/zinc/33/27/61/1419332761.db2.gz WDKAOVUKNIMEJX-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1ccc(C(C)(C)C)cc1 ZINC001714600700 1419356828 /nfs/dbraw/zinc/35/68/28/1419356828.db2.gz TVQLVEVDBGGPIN-UHFFFAOYSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001714648585 1419425050 /nfs/dbraw/zinc/42/50/50/1419425050.db2.gz TURAHMDZNDMQND-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1ccsc1 ZINC001714656028 1419437912 /nfs/dbraw/zinc/43/79/12/1419437912.db2.gz UQHITMNEZJALIC-ZWKOTPCHSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CCCC1)C1CC1 ZINC001714673708 1419465337 /nfs/dbraw/zinc/46/53/37/1419465337.db2.gz NZJDCMKBHXYWRE-IBGZPJMESA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CCC2=CCCCC2)CC1 ZINC001714777292 1419503957 /nfs/dbraw/zinc/50/39/57/1419503957.db2.gz UTEKJZCQIGDVJZ-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC001714798061 1419513561 /nfs/dbraw/zinc/51/35/61/1419513561.db2.gz PFHORCQYPCDVPW-OALUTQOASA-N 2 0 345.531 3.033 10 0 EGAERP CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001714811393 1419522711 /nfs/dbraw/zinc/52/27/11/1419522711.db2.gz BPYMDDSHTOFSKO-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001714976348 1419710753 /nfs/dbraw/zinc/71/07/53/1419710753.db2.gz MKJSAJFYTHCENO-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001714978431 1419713441 /nfs/dbraw/zinc/71/34/41/1419713441.db2.gz KQRLDOYFGZZWKQ-APWZRJJASA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714980659 1419715510 /nfs/dbraw/zinc/71/55/10/1419715510.db2.gz UIGFBEOCULDPCG-RBUKOAKNSA-N 2 0 337.552 3.312 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCCC1 ZINC001714981615 1419716646 /nfs/dbraw/zinc/71/66/46/1419716646.db2.gz YMVCIUTZXGADRE-IBGZPJMESA-N 2 0 342.487 3.321 10 0 EGAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001715051640 1419792800 /nfs/dbraw/zinc/79/28/00/1419792800.db2.gz KMNKZKMORAEOOX-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001715103520 1419845049 /nfs/dbraw/zinc/84/50/49/1419845049.db2.gz LJZXYFPKKIVDRO-RTBURBONSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[NH2+]C[C@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001715113936 1419857616 /nfs/dbraw/zinc/85/76/16/1419857616.db2.gz XRGHDQSRFGZPSB-UTKZUKDTSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001715142576 1419889480 /nfs/dbraw/zinc/88/94/80/1419889480.db2.gz JPBRGKXDHYOXCU-RXVVDRJESA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001715143295 1419889708 /nfs/dbraw/zinc/88/97/08/1419889708.db2.gz UVXSOZZZTTYXGK-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001715159841 1419901258 /nfs/dbraw/zinc/90/12/58/1419901258.db2.gz WBOUUGNYUYZFDK-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001715188390 1419921016 /nfs/dbraw/zinc/92/10/16/1419921016.db2.gz KVGGVXAOBJYLAP-GUDVDZBRSA-N 2 0 349.494 3.127 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001715190986 1419923017 /nfs/dbraw/zinc/92/30/17/1419923017.db2.gz XDSRALDCDSMFSM-VJANTYMQSA-N 2 0 349.563 3.457 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001715190773 1419923203 /nfs/dbraw/zinc/92/32/03/1419923203.db2.gz KTEMYYIAZSSYNY-YOQCTACHSA-N 2 0 337.552 3.312 10 0 EGAERP C[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CCCCCC1 ZINC001715227897 1419960660 /nfs/dbraw/zinc/96/06/60/1419960660.db2.gz GSWLCNCCKOYNRP-PXNSSMCTSA-N 2 0 349.563 3.031 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001715306312 1420015487 /nfs/dbraw/zinc/01/54/87/1420015487.db2.gz MNODQQDCNPJPNU-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001715331427 1420036792 /nfs/dbraw/zinc/03/67/92/1420036792.db2.gz UYTQLWSWTOYFRD-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001715339075 1420042454 /nfs/dbraw/zinc/04/24/54/1420042454.db2.gz MCVUWUVHOFYQGC-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715413811 1420109394 /nfs/dbraw/zinc/10/93/94/1420109394.db2.gz JGKDMQCAMUMNSK-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001715417103 1420111019 /nfs/dbraw/zinc/11/10/19/1420111019.db2.gz CEWGEOIDJZPQOS-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001715451399 1420133917 /nfs/dbraw/zinc/13/39/17/1420133917.db2.gz YDOZDRNAULTJBR-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C(C)C)C1 ZINC001715506594 1420189980 /nfs/dbraw/zinc/18/99/80/1420189980.db2.gz MGBATUDASNPSKM-WOJBJXKFSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCN(C)C(=O)C[NH+](C)C2CCC2)cc1 ZINC001715518485 1420204371 /nfs/dbraw/zinc/20/43/71/1420204371.db2.gz COZUCJGSRAEORB-UHFFFAOYSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001715585670 1420261174 /nfs/dbraw/zinc/26/11/74/1420261174.db2.gz FLPQRVFJMGKPSE-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715673796 1420288740 /nfs/dbraw/zinc/28/87/40/1420288740.db2.gz ZQIFGSQBLQYFGF-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001715854326 1420368587 /nfs/dbraw/zinc/36/85/87/1420368587.db2.gz ROEXLBCHIFQVPW-FYCOFBDGSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccccc1Cl ZINC001715877111 1420379711 /nfs/dbraw/zinc/37/97/11/1420379711.db2.gz UXNMYDMGKWCOBL-DOOVEFGSSA-N 2 0 349.906 3.005 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733259885 1429413050 /nfs/dbraw/zinc/41/30/50/1429413050.db2.gz FHTYPLOKOXCXLJ-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001715945890 1420414228 /nfs/dbraw/zinc/41/42/28/1420414228.db2.gz RYFCEAOGEQSQAV-YEWFCNIMSA-N 2 0 349.494 3.101 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001715981481 1420440568 /nfs/dbraw/zinc/44/05/68/1420440568.db2.gz XGNVPUOWCBCNQB-ZWKOTPCHSA-N 2 0 343.515 3.026 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001716022089 1420477226 /nfs/dbraw/zinc/47/72/26/1420477226.db2.gz CVNGRIORYRPPJY-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026420 1420483044 /nfs/dbraw/zinc/48/30/44/1420483044.db2.gz FHJSIEUGFROHRM-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001716029131 1420487130 /nfs/dbraw/zinc/48/71/30/1420487130.db2.gz DWDLMIFAEAXCMV-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)CC[C@@H]21 ZINC001716048644 1420512242 /nfs/dbraw/zinc/51/22/42/1420512242.db2.gz CQSLURCZUQRICA-MOPGFXCFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@H]21 ZINC001716051534 1420515806 /nfs/dbraw/zinc/51/58/06/1420515806.db2.gz ZTAYFUVTAIPYSF-RBUKOAKNSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075934 1420530368 /nfs/dbraw/zinc/53/03/68/1420530368.db2.gz TUQGTVOJJRAPBH-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[C@@H]2C[NH2+]CCC2CC2)c1 ZINC001716076113 1420530377 /nfs/dbraw/zinc/53/03/77/1420530377.db2.gz WGACRUICWIMSQT-UXHICEINSA-N 2 0 343.515 3.036 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716145683 1420541211 /nfs/dbraw/zinc/54/12/11/1420541211.db2.gz KIUFPPKFSZTLTC-MRXNPFEDSA-N 2 0 343.515 3.033 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001716255845 1420585319 /nfs/dbraw/zinc/58/53/19/1420585319.db2.gz GDDFLNCNHKQTMI-FQEVSTJZSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001716344139 1420611706 /nfs/dbraw/zinc/61/17/06/1420611706.db2.gz QHGMBGJRGXHCOA-PALPZSCYSA-N 2 0 337.895 3.003 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001716459671 1420673393 /nfs/dbraw/zinc/67/33/93/1420673393.db2.gz RRXQBCVSMXXAEJ-FXAWDEMLSA-N 2 0 343.515 3.274 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H]3CC[C@@H](C2)N3C(=O)CC[NH+](C)C)c1 ZINC001733274378 1429437262 /nfs/dbraw/zinc/43/72/62/1429437262.db2.gz GRDGGGZQFQEAAJ-RLLQIKCJSA-N 2 0 343.515 3.073 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2CCC(C)(C)CC2)C2CC2)CC[N@@H+]1C ZINC001716611252 1420777503 /nfs/dbraw/zinc/77/75/03/1420777503.db2.gz FWDNRIXKZOUKGU-LZQZEXGQSA-N 2 0 349.563 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCC1 ZINC001716632225 1420791679 /nfs/dbraw/zinc/79/16/79/1420791679.db2.gz WZJAMAUNGTXDDL-MOPGFXCFSA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)C ZINC001716636846 1420794294 /nfs/dbraw/zinc/79/42/94/1420794294.db2.gz MVWXFLOMOFLYTL-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001733274146 1429436691 /nfs/dbraw/zinc/43/66/91/1429436691.db2.gz AWTQMNKJNIBUIQ-MSOLQXFVSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@@H](C)C3)CC2)C1 ZINC001716704653 1420859295 /nfs/dbraw/zinc/85/92/95/1420859295.db2.gz YOBTVHBUFXJFMN-UYAOXDASSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001716830778 1420958360 /nfs/dbraw/zinc/95/83/60/1420958360.db2.gz XAODZFCHPSWUCC-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001716849731 1420979738 /nfs/dbraw/zinc/97/97/38/1420979738.db2.gz CLZBFWLLNUNXJU-CTNGQTDRSA-N 2 0 345.531 3.450 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCC(C)CC3)C2)CC1 ZINC001716852118 1420982803 /nfs/dbraw/zinc/98/28/03/1420982803.db2.gz ZJRLDWJQDLCGKJ-XTXLOEGASA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717001566 1421071542 /nfs/dbraw/zinc/07/15/42/1421071542.db2.gz GLIWFANHDAWWBF-QWFCFKBJSA-N 2 0 349.563 3.031 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CCCC1 ZINC001717038114 1421092764 /nfs/dbraw/zinc/09/27/64/1421092764.db2.gz NVACPSAORCQEOE-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001717042017 1421096253 /nfs/dbraw/zinc/09/62/53/1421096253.db2.gz CJHOMZZGVGSJHY-XUVXKRRUSA-N 2 0 343.515 3.012 10 0 EGAERP C[C@@H](F)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001717114835 1421118582 /nfs/dbraw/zinc/11/85/82/1421118582.db2.gz FJEXYRVEEIVAFG-CVEARBPZSA-N 2 0 349.494 3.043 10 0 EGAERP C[C@H](F)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001717114836 1421118795 /nfs/dbraw/zinc/11/87/95/1421118795.db2.gz FJEXYRVEEIVAFG-HOTGVXAUSA-N 2 0 349.494 3.043 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001717121843 1421124912 /nfs/dbraw/zinc/12/49/12/1421124912.db2.gz PDDQDOYOXBLXEK-LWYYNNOASA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001717123475 1421126124 /nfs/dbraw/zinc/12/61/24/1421126124.db2.gz YEFFZTRPTCIBGS-UAPYVXQJSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001717152418 1421142733 /nfs/dbraw/zinc/14/27/33/1421142733.db2.gz BNNZAIQVAGDTLU-OAHLLOKOSA-N 2 0 341.515 3.016 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)C1 ZINC001717160672 1421150951 /nfs/dbraw/zinc/15/09/51/1421150951.db2.gz AJLIJBBDRYGHDQ-SJORKVTESA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001717209503 1421181828 /nfs/dbraw/zinc/18/18/28/1421181828.db2.gz AADGQWGCBVKGMZ-GOSISDBHSA-N 2 0 345.531 3.402 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717237479 1421205478 /nfs/dbraw/zinc/20/54/78/1421205478.db2.gz LZXZSTVXBCOGLK-ZMBJWTFHSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717238182 1421206415 /nfs/dbraw/zinc/20/64/15/1421206415.db2.gz MGOXQNUNPOWIPZ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001717248369 1421220131 /nfs/dbraw/zinc/22/01/31/1421220131.db2.gz YCMSPAXTDWUYKM-FPOVZHCZSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717293707 1421239108 /nfs/dbraw/zinc/23/91/08/1421239108.db2.gz RFJLILOCQDLCSD-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001717297974 1421241397 /nfs/dbraw/zinc/24/13/97/1421241397.db2.gz QJMISNSEKQEXFY-DKFQHHCZSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CCC(C)CC2)CC1 ZINC001717303968 1421245690 /nfs/dbraw/zinc/24/56/90/1421245690.db2.gz MFNOUZIXPDHJNL-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[N@H+](CC3CC(C)(C)C3)CC2(C)C)CCC1 ZINC001717309739 1421252544 /nfs/dbraw/zinc/25/25/44/1421252544.db2.gz SCNQWAZZLFPDMG-QGZVFWFLSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC001717309911 1421252732 /nfs/dbraw/zinc/25/27/32/1421252732.db2.gz WNMCUNXWMJYZEO-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)CC1(C)C ZINC001717313031 1421257993 /nfs/dbraw/zinc/25/79/93/1421257993.db2.gz IXEMNCOBRUUDGV-IBGZPJMESA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001717339100 1421276829 /nfs/dbraw/zinc/27/68/29/1421276829.db2.gz LSNWWOOPFUAWOL-WMZOPIPTSA-N 2 0 349.544 3.093 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001717339231 1421277245 /nfs/dbraw/zinc/27/72/45/1421277245.db2.gz QTDHULATMCARFY-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001717411479 1421343618 /nfs/dbraw/zinc/34/36/18/1421343618.db2.gz SXUABRIUHQNYQF-DLBZAZTESA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001717449637 1421379708 /nfs/dbraw/zinc/37/97/08/1421379708.db2.gz JEINDLAFGUOKHP-UHFFFAOYSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001717450068 1421380170 /nfs/dbraw/zinc/38/01/70/1421380170.db2.gz YWFNPAJDEAOBPW-GRERDSQWSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001717459954 1421389484 /nfs/dbraw/zinc/38/94/84/1421389484.db2.gz UBKHEDBLDOBBLS-IRXDYDNUSA-N 2 0 339.568 3.370 10 0 EGAERP CCC[NH2+][C@@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001717516109 1421453153 /nfs/dbraw/zinc/45/31/53/1421453153.db2.gz ATUVUVSLRPYDNH-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001717524012 1421459353 /nfs/dbraw/zinc/45/93/53/1421459353.db2.gz MYZVKZNQJLMEKF-MSOLQXFVSA-N 2 0 335.536 3.212 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717530567 1421467014 /nfs/dbraw/zinc/46/70/14/1421467014.db2.gz RJHHJJXNPUYRDZ-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001733298538 1429481952 /nfs/dbraw/zinc/48/19/52/1429481952.db2.gz WWGKBRNIGVYQFV-RXVVDRJESA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(CC[NH+]([C@@H](C)c3ccccc3)C2)C1 ZINC001733298536 1429481958 /nfs/dbraw/zinc/48/19/58/1429481958.db2.gz WWGKBRNIGVYQFV-GHTZIAJQSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001717700080 1421572960 /nfs/dbraw/zinc/57/29/60/1421572960.db2.gz IDWBIKUGYIYWHA-IBGZPJMESA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001717700081 1421573005 /nfs/dbraw/zinc/57/30/05/1421573005.db2.gz IDWBIKUGYIYWHA-LJQANCHMSA-N 2 0 337.552 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([NH+](C)CCC(C)C)CC2)C1 ZINC001717702868 1421576717 /nfs/dbraw/zinc/57/67/17/1421576717.db2.gz GDENBOWQNOMJLB-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001717735395 1421600054 /nfs/dbraw/zinc/60/00/54/1421600054.db2.gz VRRIAYFGLLIRQO-FFZOFVMBSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)[C@H](C[NH2+]CC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001717735583 1421600374 /nfs/dbraw/zinc/60/03/74/1421600374.db2.gz YZKWRSQFSIINSK-FFZOFVMBSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001717742611 1421605828 /nfs/dbraw/zinc/60/58/28/1421605828.db2.gz ZDMHHPQOKQOACW-PMACEKPBSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001717749913 1421612697 /nfs/dbraw/zinc/61/26/97/1421612697.db2.gz KUZYVZGMOCEAPZ-QFBILLFUSA-N 2 0 333.520 3.087 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001717804777 1421631436 /nfs/dbraw/zinc/63/14/36/1421631436.db2.gz IGTKJCWQBHAZPU-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCCC1CCC1)CC2 ZINC001717839912 1421654108 /nfs/dbraw/zinc/65/41/08/1421654108.db2.gz DPNYMUGIIQWVLP-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001717849367 1421662640 /nfs/dbraw/zinc/66/26/40/1421662640.db2.gz NYIRCANELJCMKR-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001717861990 1421674644 /nfs/dbraw/zinc/67/46/44/1421674644.db2.gz DBQRNCUFCCSKDD-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C)c1 ZINC001717952836 1421724506 /nfs/dbraw/zinc/72/45/06/1421724506.db2.gz PQXSVTBWRAPQHH-UHFFFAOYSA-N 2 0 347.547 3.312 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCC2=CCCCC2)C(C)(C)C)CCC1 ZINC001717960057 1421731769 /nfs/dbraw/zinc/73/17/69/1421731769.db2.gz KUXKPFZXXWIQCY-SFHVURJKSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC2CCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001717960275 1421731865 /nfs/dbraw/zinc/73/18/65/1421731865.db2.gz WSTOJNXLJPZJAU-RCCFBDPRSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001717980695 1421752201 /nfs/dbraw/zinc/75/22/01/1421752201.db2.gz IERAMFHSDXMWGI-QRMWTIMZSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001717985346 1421758200 /nfs/dbraw/zinc/75/82/00/1421758200.db2.gz GQOYOSWITISYQS-SFHVURJKSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccc(C[NH2+]C2CC(N(C)C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001717998549 1421766195 /nfs/dbraw/zinc/76/61/95/1421766195.db2.gz DXPZYUGVDQMFQW-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001718022080 1421776910 /nfs/dbraw/zinc/77/69/10/1421776910.db2.gz INFUGIWTCAQZKJ-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001718021631 1421776972 /nfs/dbraw/zinc/77/69/72/1421776972.db2.gz QDGJGCVKICDRMX-UYAOXDASSA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001718023206 1421777607 /nfs/dbraw/zinc/77/76/07/1421777607.db2.gz DETWYQPMBVOPJB-LOKQZNEXSA-N 2 0 345.531 3.108 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001733379420 1429563674 /nfs/dbraw/zinc/56/36/74/1429563674.db2.gz FNVFYPYCBQJSBR-LLHWWHOWSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001733381706 1429566915 /nfs/dbraw/zinc/56/69/15/1429566915.db2.gz RBQOEFSXFWUKHQ-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001733409648 1429608868 /nfs/dbraw/zinc/60/88/68/1429608868.db2.gz BSSXNBTUHSLLKW-GHTZIAJQSA-N 2 0 345.531 3.369 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001733444506 1429653435 /nfs/dbraw/zinc/65/34/35/1429653435.db2.gz BDCSUAONFABUOP-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC2(C)CC[NH+](CC=C(C)C)CC2)C1 ZINC001733452434 1429665072 /nfs/dbraw/zinc/66/50/72/1429665072.db2.gz ZPUGCAJQUMBOAF-IBGZPJMESA-N 2 0 349.563 3.293 10 0 EGAERP C[NH+](C)CCCCC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001733452837 1429665747 /nfs/dbraw/zinc/66/57/47/1429665747.db2.gz XTSKQEPKZUNEHX-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001722915812 1424251470 /nfs/dbraw/zinc/25/14/70/1424251470.db2.gz IENPCDQGLIAQLK-HKCWIBIESA-N 2 0 343.515 3.011 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001722950451 1424273867 /nfs/dbraw/zinc/27/38/67/1424273867.db2.gz ADROTMXAGOCXCP-RBUKOAKNSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001723142144 1424307098 /nfs/dbraw/zinc/30/70/98/1424307098.db2.gz KHQQPGYFOBRYJG-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001723202345 1424320115 /nfs/dbraw/zinc/32/01/15/1424320115.db2.gz CEPAZSDJPGTJNY-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001723383335 1424379955 /nfs/dbraw/zinc/37/99/55/1424379955.db2.gz BRJHCXDAXZAQDL-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCCCC1 ZINC001723461771 1424420026 /nfs/dbraw/zinc/42/00/26/1424420026.db2.gz PNWTYTRJOHOQPN-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CC1)[NH+]1CCCC1 ZINC001723595136 1424481265 /nfs/dbraw/zinc/48/12/65/1424481265.db2.gz MKRUFSFEWBFEKK-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001723625226 1424496941 /nfs/dbraw/zinc/49/69/41/1424496941.db2.gz RJLDCMNVFCPBHX-YQQQUEKLSA-N 2 0 335.536 3.164 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001723640842 1424507729 /nfs/dbraw/zinc/50/77/29/1424507729.db2.gz SRETZTWYTTXQAT-ROUUACIJSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCC1)[NH+](C)C ZINC001724089462 1424655968 /nfs/dbraw/zinc/65/59/68/1424655968.db2.gz QTGRYGNZNGXLGG-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001724094692 1424658612 /nfs/dbraw/zinc/65/86/12/1424658612.db2.gz JOJYMCCDQHKDFQ-SJLPKXTDSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001724154152 1424696159 /nfs/dbraw/zinc/69/61/59/1424696159.db2.gz MEMQZAREXTYXST-IELZWVCUSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724222867 1424741134 /nfs/dbraw/zinc/74/11/34/1424741134.db2.gz MFVGBRFVTRJFGU-FPOVZHCZSA-N 2 0 347.547 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001724555063 1424910357 /nfs/dbraw/zinc/91/03/57/1424910357.db2.gz PTTLNXBGULFOKG-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733566217 1429767805 /nfs/dbraw/zinc/76/78/05/1429767805.db2.gz BNKJIZLMCYOZSS-GUDVDZBRSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001733564088 1429763978 /nfs/dbraw/zinc/76/39/78/1429763978.db2.gz XCGNDXDFDMEYAJ-BCDXTJNWSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001724657526 1425024663 /nfs/dbraw/zinc/02/46/63/1425024663.db2.gz ZEDCUYIIVVBVPD-PTWHKANQSA-N 2 0 347.547 3.281 10 0 EGAERP CCCC[N@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001724737822 1425098160 /nfs/dbraw/zinc/09/81/60/1425098160.db2.gz UGSRAXWFTUMGAC-UHFFFAOYSA-N 2 0 331.504 3.019 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001724742476 1425108994 /nfs/dbraw/zinc/10/89/94/1425108994.db2.gz AMEUQJSDYHLPAK-LPHOPBHVSA-N 2 0 343.515 3.095 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)CC(C)(C)C ZINC001724752174 1425122459 /nfs/dbraw/zinc/12/24/59/1425122459.db2.gz RJBOVLWELRSYSI-IYARVYRRSA-N 2 0 337.552 3.029 10 0 EGAERP CC1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CCC2=CCCCC2)CC1 ZINC001724857607 1425233702 /nfs/dbraw/zinc/23/37/02/1425233702.db2.gz LEBLBLQILVHJCN-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001724882470 1425263820 /nfs/dbraw/zinc/26/38/20/1425263820.db2.gz DAMZDRKUAQBNSR-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724882528 1425263993 /nfs/dbraw/zinc/26/39/93/1425263993.db2.gz DDXWUYOKRKSIPN-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724957269 1425343818 /nfs/dbraw/zinc/34/38/18/1425343818.db2.gz UJECAGXLURPWRG-GOSISDBHSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@@H]2CCC[N@H+](CC)C2)CC1)[NH+](CC)CC ZINC001725055234 1425490209 /nfs/dbraw/zinc/49/02/09/1425490209.db2.gz JCFPUWFRNDNJQQ-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1ccccc1F ZINC001725137695 1425613451 /nfs/dbraw/zinc/61/34/51/1425613451.db2.gz IJFRNJCAORZTLJ-KLAILNCOSA-N 2 0 349.494 3.198 10 0 EGAERP CC/C=C\CC[NH+]1C[C@H](NC(=O)[C@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001725282764 1425919531 /nfs/dbraw/zinc/91/95/31/1425919531.db2.gz FPJSLCADSLLZRU-JKCVZHOFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@@H]3C)C2)C1 ZINC001725344196 1425994578 /nfs/dbraw/zinc/99/45/78/1425994578.db2.gz PDYQAMUCZFQAMO-KDURUIRLSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CCCC(C)(C)C)CC1 ZINC001725426587 1426087622 /nfs/dbraw/zinc/08/76/22/1426087622.db2.gz JOQIURNJQILYPK-UHFFFAOYSA-N 2 0 339.568 3.467 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725451955 1426117419 /nfs/dbraw/zinc/11/74/19/1426117419.db2.gz GYVITCMESDRJSJ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCC2CCCC2)CC[N@@H+]1C ZINC001725488941 1426165921 /nfs/dbraw/zinc/16/59/21/1426165921.db2.gz JFUUSKMVVNJIHW-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001725505880 1426188723 /nfs/dbraw/zinc/18/87/23/1426188723.db2.gz NYSMOGLPRDRBND-DLBZAZTESA-N 2 0 347.547 3.433 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001725511042 1426198919 /nfs/dbraw/zinc/19/89/19/1426198919.db2.gz XBNUVHDHPHWHSK-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCCC(C)C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001725567864 1426228771 /nfs/dbraw/zinc/22/87/71/1426228771.db2.gz VCWDXPYINGEPOV-QFBILLFUSA-N 2 0 342.487 3.272 10 0 EGAERP Cc1c(C(=O)N2C[C@H]([NH2+]CCCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001725585316 1426241479 /nfs/dbraw/zinc/24/14/79/1426241479.db2.gz DPOVXXPJZVWVIP-DOTOQJQBSA-N 2 0 342.487 3.272 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCC1CCCC1)CC2 ZINC001725639554 1426314789 /nfs/dbraw/zinc/31/47/89/1426314789.db2.gz UWRYFEGQVWQFBS-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001725667353 1426350423 /nfs/dbraw/zinc/35/04/23/1426350423.db2.gz DXUYQUDSEWYNTC-ROUUACIJSA-N 2 0 337.552 3.122 10 0 EGAERP C[N@H+](CC(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1)CC(C)(C)C ZINC001725676179 1426362291 /nfs/dbraw/zinc/36/22/91/1426362291.db2.gz LZNXIAKMWIQTHB-INIZCTEOSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001725679989 1426368031 /nfs/dbraw/zinc/36/80/31/1426368031.db2.gz IZRQQDJRFOPHSE-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001725831094 1426510018 /nfs/dbraw/zinc/51/00/18/1426510018.db2.gz XIQVDCGIKHMZEF-ICSRJNTNSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cc(C)c(C[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001731244670 1427199931 /nfs/dbraw/zinc/19/99/31/1427199931.db2.gz BILQVOPYXGVZRJ-UHFFFAOYSA-N 2 0 345.531 3.034 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)CCCC(C)(C)C ZINC001731283956 1427227809 /nfs/dbraw/zinc/22/78/09/1427227809.db2.gz DQPDHCIFPBZQMB-CALCHBBNSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001731294878 1427237396 /nfs/dbraw/zinc/23/73/96/1427237396.db2.gz CIXQVRGAISKHQP-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001731364368 1427297687 /nfs/dbraw/zinc/29/76/87/1427297687.db2.gz OZDRXVMVPBWFFE-SREVYHEPSA-N 2 0 335.536 3.140 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001731385876 1427330100 /nfs/dbraw/zinc/33/01/00/1427330100.db2.gz OMKUQVRKKWDBJZ-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001731385906 1427331140 /nfs/dbraw/zinc/33/11/40/1427331140.db2.gz OXCMXJXMAVIYCP-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001731457188 1427433507 /nfs/dbraw/zinc/43/35/07/1427433507.db2.gz UHGITDWQERKRLP-WGSAOQKQSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001731478404 1427455242 /nfs/dbraw/zinc/45/52/42/1427455242.db2.gz BMDURRDFRDHDGX-OTWHNJEPSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001731492667 1427467263 /nfs/dbraw/zinc/46/72/63/1427467263.db2.gz FCBYKAUZIVXXSD-ZCNNSNEGSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731503500 1427486809 /nfs/dbraw/zinc/48/68/09/1427486809.db2.gz MIXWVDAWFBKNHD-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001731507947 1427496146 /nfs/dbraw/zinc/49/61/46/1427496146.db2.gz XSOXHNNJUXVAPT-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731513296 1427501027 /nfs/dbraw/zinc/50/10/27/1427501027.db2.gz BKSYSLZCETWVNE-RLWBPELLSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001731519195 1427507567 /nfs/dbraw/zinc/50/75/67/1427507567.db2.gz PRRFFWJZQHUHDR-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCC1 ZINC001731543382 1427556296 /nfs/dbraw/zinc/55/62/96/1427556296.db2.gz WYPDWQXFCHIUEQ-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2CCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001731544129 1427559711 /nfs/dbraw/zinc/55/97/11/1427559711.db2.gz QMBNYSFPTVYMEB-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001731548201 1427565113 /nfs/dbraw/zinc/56/51/13/1427565113.db2.gz TVKBDICANPDHTH-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731558840 1427589894 /nfs/dbraw/zinc/58/98/94/1427589894.db2.gz MLXNBBYIFOSLBI-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731558839 1427590282 /nfs/dbraw/zinc/59/02/82/1427590282.db2.gz MLXNBBYIFOSLBI-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560368 1427595519 /nfs/dbraw/zinc/59/55/19/1427595519.db2.gz VXKMYPNNKOXPQM-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001731569384 1427609191 /nfs/dbraw/zinc/60/91/91/1427609191.db2.gz ALTMUIDKHVUNLZ-UHFFFAOYSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001731573524 1427616421 /nfs/dbraw/zinc/61/64/21/1427616421.db2.gz FOZVXUKLJDYDKL-AFMYVXGZSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001731601548 1427644424 /nfs/dbraw/zinc/64/44/24/1427644424.db2.gz NQQJVSRCCYLUCP-ROUUACIJSA-N 2 0 343.515 3.026 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731705649 1427758384 /nfs/dbraw/zinc/75/83/84/1427758384.db2.gz WNTDUXHMTDDLHB-RTBURBONSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]([NH+](C)CCCC(C)(C)C)C2)C1 ZINC001731710162 1427765467 /nfs/dbraw/zinc/76/54/67/1427765467.db2.gz DRVVOBYGQVNNIC-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001731714251 1427777078 /nfs/dbraw/zinc/77/70/78/1427777078.db2.gz LIFJIWLNORKKGQ-CTWPCTMYSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001731739946 1427826147 /nfs/dbraw/zinc/82/61/47/1427826147.db2.gz KMUNHTREGSABBE-HUUCEWRRSA-N 2 0 339.911 3.226 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001731754890 1427853486 /nfs/dbraw/zinc/85/34/86/1427853486.db2.gz DVUZSVRBAIGESE-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](CCC(=O)NCC[N@@H+](C)CCC(C)(C)C)C1CCCCC1 ZINC001731778424 1427899359 /nfs/dbraw/zinc/89/93/59/1427899359.db2.gz HMANVECSNUDHAQ-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@@H+](C)CCC2=CCCCC2)C1 ZINC001731792444 1427937693 /nfs/dbraw/zinc/93/76/93/1427937693.db2.gz YUTIDZICEHSFQW-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)CC[C@H]2CCC[N@H+]2C)cs1 ZINC001731829778 1428037791 /nfs/dbraw/zinc/03/77/91/1428037791.db2.gz SIFDWUMWCISIQZ-MSOLQXFVSA-N 2 0 349.544 3.012 10 0 EGAERP CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001731995719 1428204511 /nfs/dbraw/zinc/20/45/11/1428204511.db2.gz HZEVWJMEPKBRDT-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001733599535 1429800689 /nfs/dbraw/zinc/80/06/89/1429800689.db2.gz OBMZDWRWKSTJCT-FHWLQOOXSA-N 2 0 337.552 3.218 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]CC3=CCCCC3)C2)CC1 ZINC001733664350 1429857753 /nfs/dbraw/zinc/85/77/53/1429857753.db2.gz DPDDIFBVXQWHMP-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCC1 ZINC001733716321 1429935249 /nfs/dbraw/zinc/93/52/49/1429935249.db2.gz QONNABZPMJYAFU-CQSZACIVSA-N 2 0 337.533 3.098 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001733783520 1430051399 /nfs/dbraw/zinc/05/13/99/1430051399.db2.gz ZPCNBVWELBPGON-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001733803790 1430071805 /nfs/dbraw/zinc/07/18/05/1430071805.db2.gz MAEFJNSKVRGZQK-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733807092 1430078636 /nfs/dbraw/zinc/07/86/36/1430078636.db2.gz MCKIMJKDUDTYPX-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001733809043 1430083850 /nfs/dbraw/zinc/08/38/50/1430083850.db2.gz FALZEWGOSXOWQW-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001733809195 1430084139 /nfs/dbraw/zinc/08/41/39/1430084139.db2.gz HTSROCYVOKPRRC-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001733810990 1430088619 /nfs/dbraw/zinc/08/86/19/1430088619.db2.gz BRLYAZRHDBCAEX-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1 ZINC001733862842 1437691536 /nfs/dbraw/zinc/69/15/36/1437691536.db2.gz QPNRZIFGMREBCM-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001733904573 1437722958 /nfs/dbraw/zinc/72/29/58/1437722958.db2.gz ZZPVZJUOHJMYKT-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001733911647 1437729919 /nfs/dbraw/zinc/72/99/19/1437729919.db2.gz UNJMVDQRSZLPCS-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001733919128 1437732421 /nfs/dbraw/zinc/73/24/21/1437732421.db2.gz ZTGTUQFLZJFEGH-QZTJIDSGSA-N 2 0 346.519 3.264 10 0 EGAERP CC(C)[NH2+]CC1(NC(=O)C2(C[NH+](C)C)CCCCC2)CCCCC1 ZINC001734086748 1437872244 /nfs/dbraw/zinc/87/22/44/1437872244.db2.gz RFBIXPWRRREYQT-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734117132 1437899253 /nfs/dbraw/zinc/89/92/53/1437899253.db2.gz MPRQSJXTMAWGFY-XETPZHMNSA-N 2 0 347.547 3.186 10 0 EGAERP CCCCC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C(C)(C)[NH+](C)C3CCCC3)[C@@H]2C1 ZINC001734166677 1437925974 /nfs/dbraw/zinc/92/59/74/1437925974.db2.gz XXVWBYBGJWVHEJ-LDLYASANSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C(C)C)C2)C1 ZINC001734197209 1437938677 /nfs/dbraw/zinc/93/86/77/1437938677.db2.gz MZFCYDKWEDCPEW-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C[NH2+][C@H](C)c1ccccc1F)C1CC1 ZINC001734308924 1438040332 /nfs/dbraw/zinc/04/03/32/1438040332.db2.gz PMOIFFGAVLEZMS-DNVCBOLYSA-N 2 0 349.494 3.054 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001734357641 1438074810 /nfs/dbraw/zinc/07/48/10/1438074810.db2.gz SHEGJNUPSXXWEZ-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001734462773 1438119776 /nfs/dbraw/zinc/11/97/76/1438119776.db2.gz UZMFYXTZXFAMOV-FUHWJXTLSA-N 2 0 337.552 3.265 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001734482647 1438127603 /nfs/dbraw/zinc/12/76/03/1438127603.db2.gz JTZLRLQRYLVTMG-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001734489851 1438129997 /nfs/dbraw/zinc/12/99/97/1438129997.db2.gz XVQNCBSEKBTPMQ-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001734502926 1438135818 /nfs/dbraw/zinc/13/58/18/1438135818.db2.gz QCXYINNBOAVDIB-QFBILLFUSA-N 2 0 345.531 3.235 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734553383 1438151479 /nfs/dbraw/zinc/15/14/79/1438151479.db2.gz BYLGAIFCEJEMGX-RBUKOAKNSA-N 2 0 339.568 3.466 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C)c1 ZINC001734553838 1438152714 /nfs/dbraw/zinc/15/27/14/1438152714.db2.gz WYVITJQSZFMYLT-UHFFFAOYSA-N 2 0 333.520 3.004 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CC2CCCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001734559998 1438158082 /nfs/dbraw/zinc/15/80/82/1438158082.db2.gz GIHILHGXHZJDAL-NXHRZFHOSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001734574761 1438168275 /nfs/dbraw/zinc/16/82/75/1438168275.db2.gz DVDMNKHOTPZMMA-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530122 168368968 /nfs/dbraw/zinc/36/89/68/168368968.db2.gz ISIQGYPORBNCQG-VURPSTOHSA-N 2 0 329.532 3.217 10 0 EGAERP COc1ccncc1CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000287943115 201334233 /nfs/dbraw/zinc/33/42/33/201334233.db2.gz XOTNCHHDEQMYHQ-QFBILLFUSA-N 2 0 325.456 3.090 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000106125493 204188533 /nfs/dbraw/zinc/18/85/33/204188533.db2.gz FTNYIPNIOWKMKE-AWEZNQCLSA-N 2 0 344.421 3.230 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1ccncc1 ZINC000111228377 204343238 /nfs/dbraw/zinc/34/32/38/204343238.db2.gz ULNZBOMTOXPGLM-UWJYYQICSA-N 2 0 339.483 3.178 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000121695529 204819217 /nfs/dbraw/zinc/81/92/17/204819217.db2.gz RWRNAODLHBXGAY-KRWDZBQOSA-N 2 0 334.504 3.484 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000127565995 205106506 /nfs/dbraw/zinc/10/65/06/205106506.db2.gz NYUIDQIZMWZYGT-QGZVFWFLSA-N 2 0 335.511 3.153 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000268820339 252270909 /nfs/dbraw/zinc/27/09/09/252270909.db2.gz RUJTZZJLOULWSX-MAODMQOUSA-N 2 0 342.458 3.359 10 0 EGAERP COCCOc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246842532 141038877 /nfs/dbraw/zinc/03/88/77/141038877.db2.gz RXBRFVGTLHSCES-RXVVDRJESA-N 2 0 344.499 3.161 10 0 EGAERP Cc1ncc(C[NH2+]Cc2ccccc2C[N@H+](C)Cc2ccco2)cn1 ZINC000344484882 141163154 /nfs/dbraw/zinc/16/31/54/141163154.db2.gz XNPWVOVZFPYFMI-UHFFFAOYSA-N 2 0 336.439 3.300 10 0 EGAERP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@H]21 ZINC000353438724 141295225 /nfs/dbraw/zinc/29/52/25/141295225.db2.gz VEQSYVGVGSCSJY-TYPHKJRUSA-N 2 0 338.499 3.452 10 0 EGAERP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[C@H]([NH3+])C3)cc2)CC1 ZINC000164559629 143984865 /nfs/dbraw/zinc/98/48/65/143984865.db2.gz KVBVHURTMPAFGU-ROUUACIJSA-N 2 0 329.488 3.375 10 0 EGAERP CN1CC[NH+]([C@H]2CCCCN(Cc3cc(Cl)ccc3F)C2)CC1 ZINC000189721092 153092592 /nfs/dbraw/zinc/09/25/92/153092592.db2.gz IEPXHJJHQLRNPD-KRWDZBQOSA-N 2 0 339.886 3.081 10 0 EGAERP CCCN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336707232 154212010 /nfs/dbraw/zinc/21/20/10/154212010.db2.gz MBPOVJHOFDNART-RTWAWAEBSA-N 2 0 329.532 3.363 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@H]2CCCO2)CC1 ZINC000352649759 156399343 /nfs/dbraw/zinc/39/93/43/156399343.db2.gz OJBPGWHSVSTJQM-HXUWFJFHSA-N 2 0 345.531 3.220 10 0 EGAERP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12 ZINC000248417793 163002693 /nfs/dbraw/zinc/00/26/93/163002693.db2.gz RQYOZIFOZRVYHX-FCXXMXSZSA-N 2 0 338.499 3.290 10 0 EGAERP COc1c[nH+]ccc1N1CCN(c2cc[nH+]c3cc(F)ccc32)CC1 ZINC000360257677 167284404 /nfs/dbraw/zinc/28/44/04/167284404.db2.gz LVFTXJPHBSAVNL-UHFFFAOYSA-N 2 0 338.386 3.104 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000360289527 167290819 /nfs/dbraw/zinc/29/08/19/167290819.db2.gz BJAGSAJVUUHCQC-FQEVSTJZSA-N 2 0 343.515 3.236 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)oc1C ZINC000367077532 168176832 /nfs/dbraw/zinc/17/68/32/168176832.db2.gz JSCCQCOVLCSJIT-QGZVFWFLSA-N 2 0 333.520 3.497 10 0 EGAERP C[C@@H](CC(N)=O)[NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367162583 168186329 /nfs/dbraw/zinc/18/63/29/168186329.db2.gz CRTATKMSSPOACE-IHXIVBBOSA-N 2 0 349.906 3.107 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCc1cnc2n1CCCC2 ZINC000367435780 168224855 /nfs/dbraw/zinc/22/48/55/168224855.db2.gz CZWBGQXLIIWZBO-XLIONFOSSA-N 2 0 338.499 3.220 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@@H]21 ZINC000367596981 168247305 /nfs/dbraw/zinc/24/73/05/168247305.db2.gz KWTTZJGBLHTDJF-ZHALLVOQSA-N 2 0 326.488 3.197 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425636 274246312 /nfs/dbraw/zinc/24/63/12/274246312.db2.gz OITKHJBRSZBBKR-CRAIPNDOSA-N 2 0 345.512 3.239 10 0 EGAERP OCC1(C[NH2+]C2CC[NH+](CCc3ccccc3)CC2)CC2(CCC2)C1 ZINC000278839375 275279704 /nfs/dbraw/zinc/27/97/04/275279704.db2.gz PNMPGSNZYAZVDB-UHFFFAOYSA-N 2 0 342.527 3.226 10 0 EGAERP Cc1ccncc1C[NH2+]Cc1ccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000279803299 275360919 /nfs/dbraw/zinc/36/09/19/275360919.db2.gz FABUHIBYPAAUST-ROUUACIJSA-N 2 0 339.483 3.289 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1cnn(-c2ccc(C(F)(F)F)cc2)c1 ZINC000285473261 275879517 /nfs/dbraw/zinc/87/95/17/275879517.db2.gz NYPZHJPNESUPQC-UHFFFAOYSA-N 2 0 340.393 3.323 10 0 EGAERP CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261917028 276060743 /nfs/dbraw/zinc/06/07/43/276060743.db2.gz XDTRXKMAYAWHDC-QWFCFKBJSA-N 2 0 343.515 3.060 10 0 EGAERP CC(C)N(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350918025 279461157 /nfs/dbraw/zinc/46/11/57/279461157.db2.gz KYDYAXVLBDUYDM-SFHVURJKSA-N 2 0 345.531 3.086 10 0 EGAERP O=C(C[N@@H+]1CCC[C@H]1CC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000061040246 307352273 /nfs/dbraw/zinc/35/22/73/307352273.db2.gz RUBUPKVABVSBND-FQEVSTJZSA-N 2 0 347.547 3.164 10 0 EGAERP Fc1ccc(N2CC[C@H]([NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000414564182 309089587 /nfs/dbraw/zinc/08/95/87/309089587.db2.gz CLZPDSHIABIJJZ-SFHVURJKSA-N 2 0 340.446 3.058 10 0 EGAERP Cc1csc(N2CCC([NH2+]Cc3ccc([C@H](C)[NH3+])cc3)CC2)n1 ZINC000414804507 309102577 /nfs/dbraw/zinc/10/25/77/309102577.db2.gz FLBMFQHPLQUPQY-AWEZNQCLSA-N 2 0 330.501 3.230 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000414813612 309103141 /nfs/dbraw/zinc/10/31/41/309103141.db2.gz UEOWEXTUIASAJC-CYBMUJFWSA-N 2 0 326.469 3.458 10 0 EGAERP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414815413 309103293 /nfs/dbraw/zinc/10/32/93/309103293.db2.gz PIRWHDBYMPDOLP-CQSZACIVSA-N 2 0 335.455 3.194 10 0 EGAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414816264 309103410 /nfs/dbraw/zinc/10/34/10/309103410.db2.gz ZSVJTWCBAPANGW-KGLIPLIRSA-N 2 0 329.419 3.352 10 0 EGAERP Fc1ccccc1COc1cccc(C[NH2+]CC[C@@H]2CC[NH2+]C2)c1 ZINC000414824941 309103906 /nfs/dbraw/zinc/10/39/06/309103906.db2.gz BMOJITISSUWSIG-INIZCTEOSA-N 2 0 328.431 3.494 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000352929118 308886314 /nfs/dbraw/zinc/88/63/14/308886314.db2.gz BKDCKZJYGFGWHR-WMZOPIPTSA-N 2 0 331.504 3.494 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[C@@H](C[NH3+])C1 ZINC000415033127 309115614 /nfs/dbraw/zinc/11/56/14/309115614.db2.gz IOYHMPAERUJBGM-JTNHKYCSSA-N 2 0 329.257 3.236 10 0 EGAERP C[C@@H](C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1)c1cccc(Br)c1 ZINC000415050910 309116625 /nfs/dbraw/zinc/11/66/25/309116625.db2.gz DVXYKEPDFCLGNG-WOSRLPQWSA-N 2 0 325.294 3.469 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415075319 309118584 /nfs/dbraw/zinc/11/85/84/309118584.db2.gz BIHMTMHOUUYFSS-XLIONFOSSA-N 2 0 326.488 3.332 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000415081089 309118830 /nfs/dbraw/zinc/11/88/30/309118830.db2.gz JZWGKBAINPRMAU-KSZLIROESA-N 2 0 332.488 3.147 10 0 EGAERP CCOc1ccc(C2(C[NH2+]C[C@@H]([NH3+])CC(C)C)CCOCC2)cc1 ZINC000415085449 309119401 /nfs/dbraw/zinc/11/94/01/309119401.db2.gz IFOOCQINNPOMDG-SFHVURJKSA-N 2 0 334.504 3.097 10 0 EGAERP CCN1CC[C@H]([NH2+]C2CCC([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415114650 309121236 /nfs/dbraw/zinc/12/12/36/309121236.db2.gz TUVVAJXZQGHBLP-SARJAZCCSA-N 2 0 341.421 3.099 10 0 EGAERP CC(C)C[C@H](C[N@@H+]1CCC[C@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415135503 309123060 /nfs/dbraw/zinc/12/30/60/309123060.db2.gz WSFJTTMBGPONTI-QUCCMNQESA-N 2 0 341.503 3.204 10 0 EGAERP C[C@H](CCCC[NH3+])NC(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000418695758 309253979 /nfs/dbraw/zinc/25/39/79/309253979.db2.gz LRIXLAWHXWCSAM-MRXNPFEDSA-N 2 0 340.556 3.046 10 0 EGAERP FC(F)(F)c1cccc([C@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420308116 309280937 /nfs/dbraw/zinc/28/09/37/309280937.db2.gz SAOUXZDXYKPMND-CZUORRHYSA-N 2 0 328.378 3.078 10 0 EGAERP CC[C@@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000421388573 309322383 /nfs/dbraw/zinc/32/23/83/309322383.db2.gz QARWPNJISSNSCC-AZUAARDMSA-N 2 0 345.531 3.264 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000422709453 309364138 /nfs/dbraw/zinc/36/41/38/309364138.db2.gz DJXXOQYECLWXTB-LJQANCHMSA-N 2 0 347.503 3.049 10 0 EGAERP COc1ccc([C@@H](NCC[NH+](C(C)C)C(C)C)[C@H]2CCC[NH2+]2)cc1 ZINC000422767135 309367391 /nfs/dbraw/zinc/36/73/91/309367391.db2.gz YDLFCLDWIBCWKM-WOJBJXKFSA-N 2 0 333.520 3.197 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000422786010 309368017 /nfs/dbraw/zinc/36/80/17/309368017.db2.gz NYXLFNYPTAXWRE-NJDAHSKKSA-N 3 0 327.516 3.293 10 0 EGAERP Fc1ccc(F)c(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816761 309369872 /nfs/dbraw/zinc/36/98/72/309369872.db2.gz BGXIZARGJZDUCN-UYAOXDASSA-N 2 0 344.405 3.353 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCCCOCc1ccccc1 ZINC000422830270 309370797 /nfs/dbraw/zinc/37/07/97/309370797.db2.gz CJXKUNPAIZGCLQ-MRXNPFEDSA-N 2 0 327.472 3.496 10 0 EGAERP COC1CCC(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000422838980 309371209 /nfs/dbraw/zinc/37/12/09/309371209.db2.gz PJBBQJZJNMCGCT-CCJHYTBNSA-N 2 0 330.472 3.037 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422893741 309374717 /nfs/dbraw/zinc/37/47/17/309374717.db2.gz AQDISLFKNJLBNI-NJDAHSKKSA-N 3 0 345.531 3.027 10 0 EGAERP CC[NH+]1CCN(c2ccccc2N[C@@H]2C[C@@H]([NH3+])c3ccccc32)CC1 ZINC000422921206 309376306 /nfs/dbraw/zinc/37/63/06/309376306.db2.gz NRIMHPMVADYCSH-UYAOXDASSA-N 2 0 336.483 3.385 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422947302 309377582 /nfs/dbraw/zinc/37/75/82/309377582.db2.gz YEPUUURCSLFSQX-DQLDELGASA-N 2 0 340.467 3.108 10 0 EGAERP CCCC(O)(CCC)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974383 309379053 /nfs/dbraw/zinc/37/90/53/309379053.db2.gz DWJQSTOJEGSMPV-FXAWDEMLSA-N 2 0 332.488 3.163 10 0 EGAERP Cc1ccn(-c2ccccc2C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000422991598 309379804 /nfs/dbraw/zinc/37/98/04/309379804.db2.gz PVVFUJDEHSCKHP-HNNXBMFYSA-N 2 0 335.455 3.194 10 0 EGAERP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993102 309379899 /nfs/dbraw/zinc/37/98/99/309379899.db2.gz SIVREUGYDRPKJI-VELGLUOQSA-N 2 0 344.499 3.163 10 0 EGAERP COc1ccc([C@@H](NCC2(C[NH+](C)C)CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423041884 309382710 /nfs/dbraw/zinc/38/27/10/309382710.db2.gz XZYIKPOZANYAHI-VQTJNVASSA-N 2 0 345.531 3.200 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(C(F)(F)F)cc2)CC1 ZINC000423056453 309383368 /nfs/dbraw/zinc/38/33/68/309383368.db2.gz FTOIBUASZYJGTK-HNNXBMFYSA-N 2 0 330.394 3.081 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423089536 309385336 /nfs/dbraw/zinc/38/53/36/309385336.db2.gz VIUWMESAIJEMQQ-FJBKBRRZSA-N 2 0 333.442 3.041 10 0 EGAERP COc1ccc([C@H](NC2CC([NH+]3CCCCC3)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423099392 309386000 /nfs/dbraw/zinc/38/60/00/309386000.db2.gz UATWJCLCGBFWEB-RQWVFBBXSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423127785 309387201 /nfs/dbraw/zinc/38/72/01/309387201.db2.gz KAUIPLHVBSASHU-DCPHZVHLSA-N 2 0 328.431 3.335 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1cc(C(F)(F)F)ccn1 ZINC000423127676 309387269 /nfs/dbraw/zinc/38/72/69/309387269.db2.gz CIHBVYFIZLZRHR-LLVKDONJSA-N 2 0 338.377 3.156 10 0 EGAERP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423142836 309388203 /nfs/dbraw/zinc/38/82/03/309388203.db2.gz BJDBXDRNAIOMTG-XGXHKWSGSA-N 2 0 336.426 3.089 10 0 EGAERP C[C@@H](NCCC[NH2+]Cc1cccnc1)c1nc2c(s1)CCCC2 ZINC000423185131 309389453 /nfs/dbraw/zinc/38/94/53/309389453.db2.gz JGJRKPOEPOTTSM-CQSZACIVSA-N 2 0 330.501 3.247 10 0 EGAERP COCCOc1ccc([C@@H](C)[NH2+]C[C@H](N)c2ccccc2)cc1OC ZINC000423233007 309391523 /nfs/dbraw/zinc/39/15/23/309391523.db2.gz DBRYLUWZLYKXLQ-QAPCUYQASA-N 2 0 344.455 3.071 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+]CC[C@@H]1CC[NH2+]C1)CCCO2 ZINC000423244944 309392264 /nfs/dbraw/zinc/39/22/64/309392264.db2.gz ICAZUGMLZADSDZ-SWLSCSKDSA-N 2 0 339.277 3.252 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423291971 309394218 /nfs/dbraw/zinc/39/42/18/309394218.db2.gz KURLWIJXIFMUSG-HUUCEWRRSA-N 2 0 325.456 3.259 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344452 309396280 /nfs/dbraw/zinc/39/62/80/309396280.db2.gz MVPGUBYIGAKXJB-NSHDSACASA-N 2 0 327.241 3.029 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487241 309402431 /nfs/dbraw/zinc/40/24/31/309402431.db2.gz TZBREYNNDFUFEU-KGLIPLIRSA-N 2 0 333.867 3.104 10 0 EGAERP CC(C)(C)N1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)C1=O ZINC000424110211 309429755 /nfs/dbraw/zinc/42/97/55/309429755.db2.gz CFCKSVGSJRQVLV-LJQANCHMSA-N 2 0 343.515 3.162 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000424114846 309429871 /nfs/dbraw/zinc/42/98/71/309429871.db2.gz SKNHGXUYGOZMFB-GOSISDBHSA-N 2 0 331.504 3.017 10 0 EGAERP C[C@@H](Cc1ccoc1)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000449073020 310035051 /nfs/dbraw/zinc/03/50/51/310035051.db2.gz HEYPQIZGUXDJEK-RXVVDRJESA-N 2 0 341.499 3.179 10 0 EGAERP C[C@H](Cc1ccoc1)[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449132737 310039323 /nfs/dbraw/zinc/03/93/23/310039323.db2.gz WAWPSIOLPIQTTQ-HZPDHXFCSA-N 2 0 345.462 3.452 10 0 EGAERP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449136814 310039510 /nfs/dbraw/zinc/03/95/10/310039510.db2.gz CIYUQLOHRJGEQD-BBTUJRGHSA-N 2 0 332.532 3.469 10 0 EGAERP CCCC[N@H+](C)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449150175 310040474 /nfs/dbraw/zinc/04/04/74/310040474.db2.gz YXVBTPWEDRJYET-IBGZPJMESA-N 2 0 331.548 3.404 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1cc(Cl)sc1Cl ZINC000449149182 310040561 /nfs/dbraw/zinc/04/05/61/310040561.db2.gz MLPMFDWWCPTXCF-LBPRGKRZSA-N 2 0 337.316 3.381 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC(C)(C)CO)CC1 ZINC000449162574 310041391 /nfs/dbraw/zinc/04/13/91/310041391.db2.gz JMSGMRXKCLHCAF-GOSISDBHSA-N 2 0 332.532 3.470 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[nH]n1 ZINC000449188268 310043250 /nfs/dbraw/zinc/04/32/50/310043250.db2.gz KAQBSXSLFDYOEA-FUHWJXTLSA-N 2 0 340.515 3.334 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(CCO)CCOC2)CC1 ZINC000449192241 310043545 /nfs/dbraw/zinc/04/35/45/310043545.db2.gz TXGCLGIFZWIOGI-HXUWFJFHSA-N 2 0 340.552 3.044 10 0 EGAERP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449242197 310047123 /nfs/dbraw/zinc/04/71/23/310047123.db2.gz WMSOTGZUUCACOC-KZNAEPCWSA-N 2 0 346.515 3.259 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490182 310066223 /nfs/dbraw/zinc/06/62/23/310066223.db2.gz WJXIEQUYDNZJDV-WMZOPIPTSA-N 2 0 326.500 3.385 10 0 EGAERP FC1(F)CCCC[C@@H]1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000450315818 310114969 /nfs/dbraw/zinc/11/49/69/310114969.db2.gz GBHADFWUHLLKDO-QGZVFWFLSA-N 2 0 330.463 3.246 10 0 EGAERP C[C@@H]1C[N@H+](CC/C=C/c2ccccc2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000450649114 310134902 /nfs/dbraw/zinc/13/49/02/310134902.db2.gz QAQSPBKGSZPQRQ-VDUMAWNISA-N 2 0 327.516 3.048 10 0 EGAERP c1nc([C@@H]2CCCN(Cc3nnc(C4CC4)s3)C2)n2c1CCCC2 ZINC000450927732 310150232 /nfs/dbraw/zinc/15/02/32/310150232.db2.gz QHHBIRFEUCCZDP-CQSZACIVSA-N 2 0 343.500 3.328 10 0 EGAERP COC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000452104519 310212380 /nfs/dbraw/zinc/21/23/80/310212380.db2.gz NNRFLJBCCBIWDX-PYSGZSLQSA-N 2 0 338.536 3.040 10 0 EGAERP COC1([C@@H](C)[NH2+]Cc2cccc(C[N@H+](C)C(C)C)c2)CCOCC1 ZINC000453094154 310257388 /nfs/dbraw/zinc/25/73/88/310257388.db2.gz RXZQJAKNJGSNBT-QGZVFWFLSA-N 2 0 334.504 3.201 10 0 EGAERP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccncc1 ZINC000453121152 310259380 /nfs/dbraw/zinc/25/93/80/310259380.db2.gz OVBHVRQGXXKTER-IBGZPJMESA-N 2 0 330.520 3.073 10 0 EGAERP Cn1cc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C(C)(C)C)cn1 ZINC000459419310 310551328 /nfs/dbraw/zinc/55/13/28/310551328.db2.gz FCBZFLHPFZRVKI-SFHVURJKSA-N 2 0 327.476 3.161 10 0 EGAERP COC(=O)[C@@H](CC(C)C)[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000509035120 312108116 /nfs/dbraw/zinc/10/81/16/312108116.db2.gz VNQQKSXSVATCQS-LJQANCHMSA-N 2 0 347.503 3.208 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527741086 312929422 /nfs/dbraw/zinc/92/94/22/312929422.db2.gz XVTAXFNGYQIBKF-LJQANCHMSA-N 2 0 345.531 3.125 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216946 313498738 /nfs/dbraw/zinc/49/87/38/313498738.db2.gz QYQBOROPVOCMIJ-JXFKEZNVSA-N 2 0 345.531 3.472 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)cc1C ZINC000539649588 314326506 /nfs/dbraw/zinc/32/65/06/314326506.db2.gz UGZKXVDKQMEUOK-MJGOQNOKSA-N 2 0 333.520 3.047 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000552054246 315193833 /nfs/dbraw/zinc/19/38/33/315193833.db2.gz PVCCZYXVVVYAOS-FYZZASKESA-N 2 0 327.516 3.365 10 0 EGAERP C[NH+](C)Cc1ccccc1NC(=O)CC[N@@H+]1CCc2ccccc2C1 ZINC000565704952 316358906 /nfs/dbraw/zinc/35/89/06/316358906.db2.gz HXBJVKRLZUYEBM-UHFFFAOYSA-N 2 0 337.467 3.135 10 0 EGAERP CCOC(=O)C1([N@H+](C)Cc2ccc3c(c2)C[NH2+]CC3)CCCCC1 ZINC000565721492 316361591 /nfs/dbraw/zinc/36/15/91/316361591.db2.gz NMTXVDJTRLYMJN-UHFFFAOYSA-N 2 0 330.472 3.030 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000566095191 316415501 /nfs/dbraw/zinc/41/55/01/316415501.db2.gz CXLILVLKJYEGSF-OTWHNJEPSA-N 2 0 335.536 3.055 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000572378353 317331522 /nfs/dbraw/zinc/33/15/22/317331522.db2.gz ACTFLRVGWNNHTI-UWWPHRKUSA-N 2 0 325.859 3.084 10 0 EGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CCCC2CCCCC2)cc1 ZINC000574120983 317562605 /nfs/dbraw/zinc/56/26/05/317562605.db2.gz XCIAAPLDEGMNKB-UHFFFAOYSA-N 2 0 345.531 3.428 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](CCOc3ccccc3F)C2)[nH+]1 ZINC000171652810 323245103 /nfs/dbraw/zinc/24/51/03/323245103.db2.gz GFGZZDUFLBYCSG-INIZCTEOSA-N 2 0 329.419 3.342 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[NH+]1CCCCC1)CC3 ZINC000184142679 323643596 /nfs/dbraw/zinc/64/35/96/323643596.db2.gz GKYCOUWEKLDWIA-INIZCTEOSA-N 2 0 341.499 3.499 10 0 EGAERP C[C@@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580455932 325253336 /nfs/dbraw/zinc/25/33/36/325253336.db2.gz UTARXWDYGGMRMQ-INIZCTEOSA-N 2 0 347.466 3.106 10 0 EGAERP Cc1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)ncc1Br ZINC000623470460 460567056 /nfs/dbraw/zinc/56/70/56/460567056.db2.gz MGBSBCJOSSLLST-UHFFFAOYSA-N 2 0 340.309 3.363 10 0 EGAERP [NH3+][C@@H]1CCCCCN(CCc2nc(-c3cccc(Cl)c3)no2)C1 ZINC000631833454 460576249 /nfs/dbraw/zinc/57/62/49/460576249.db2.gz AOJALVFIHFPVHU-OAHLLOKOSA-N 2 0 334.851 3.136 10 0 EGAERP C[C@H](N[C@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623487254 460576264 /nfs/dbraw/zinc/57/62/64/460576264.db2.gz YTHPIUVALGNPLZ-SXLOBPIMSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@H](CCn1cccn1)[NH2+]C[C@@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000158872685 455334909 /nfs/dbraw/zinc/33/49/09/455334909.db2.gz GJYYGDIZMLOMIG-RYRKJORJSA-N 2 0 332.517 3.396 10 0 EGAERP CC[C@@H](C)c1cccc(NC(=O)N(CC[NH+](C)C)CC[NH+](C)C)c1 ZINC000626655421 460617258 /nfs/dbraw/zinc/61/72/58/460617258.db2.gz XJCKBYFHXIKZMS-MRXNPFEDSA-N 2 0 334.508 3.157 10 0 EGAERP CC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691601 454300297 /nfs/dbraw/zinc/30/02/97/454300297.db2.gz FWBUTXWMNVSQQM-DLBZAZTESA-N 2 0 331.504 3.065 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000122685971 454558227 /nfs/dbraw/zinc/55/82/27/454558227.db2.gz DJTLYACMUQMEGL-UHFFFAOYSA-N 2 0 343.559 3.405 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@@H]1CCc2[nH]c3ccc(OC)cc3c2C1 ZINC000122999138 454591213 /nfs/dbraw/zinc/59/12/13/454591213.db2.gz DPJXYYZKSTUFKY-OAHLLOKOSA-N 2 0 329.488 3.355 10 0 EGAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000635001178 460646937 /nfs/dbraw/zinc/64/69/37/460646937.db2.gz JHDDTKUHUHJRFB-PZVLKZJISA-N 2 0 347.300 3.065 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)[C@H](C)C1 ZINC000081096148 454685200 /nfs/dbraw/zinc/68/52/00/454685200.db2.gz DKALSWSVNTVZHW-RHSMWYFYSA-N 2 0 337.895 3.331 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3cccs3)no2)[C@H](C)C1 ZINC000081094896 454685505 /nfs/dbraw/zinc/68/55/05/454685505.db2.gz KXHATTPSJKTVMA-CABCVRRESA-N 2 0 348.516 3.393 10 0 EGAERP Clc1ccc(-c2noc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000246408279 455485226 /nfs/dbraw/zinc/48/52/26/455485226.db2.gz MGLXXVRZJYBDAK-HOTGVXAUSA-N 2 0 346.862 3.149 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166459689 454911515 /nfs/dbraw/zinc/91/15/15/454911515.db2.gz HYPRKBQKCXHVFL-GHTZIAJQSA-N 2 0 346.515 3.245 10 0 EGAERP CC(C)OCC[C@H](O)C[N@@H+]1CCC[C@H]([NH+](C)Cc2ccccc2)CC1 ZINC000170606434 454940694 /nfs/dbraw/zinc/94/06/94/454940694.db2.gz MRKYPWVXNCMYRV-SFTDATJTSA-N 2 0 348.531 3.149 10 0 EGAERP CC[NH+]1CCC(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127445374 454965381 /nfs/dbraw/zinc/96/53/81/454965381.db2.gz ZHUPWRBYVYOCAT-UHFFFAOYSA-N 2 0 329.257 3.410 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180015160 455116088 /nfs/dbraw/zinc/11/60/88/455116088.db2.gz ZLKZYDOIDMTWLT-LJQANCHMSA-N 2 0 335.923 3.408 10 0 EGAERP C[N@H+](CCCc1nc(-c2cccs2)no1)C[C@H]1CCC[NH+](C)C1 ZINC000152503537 455128330 /nfs/dbraw/zinc/12/83/30/455128330.db2.gz LJKNLYRNJVYICM-AWEZNQCLSA-N 2 0 334.489 3.004 10 0 EGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000180127011 455136482 /nfs/dbraw/zinc/13/64/82/455136482.db2.gz SJKVIKLKMBRHNG-MRXNPFEDSA-N 2 0 339.418 3.385 10 0 EGAERP CC(C)n1ncc2cc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cnc21 ZINC000157586414 455210626 /nfs/dbraw/zinc/21/06/26/455210626.db2.gz RUUXXOIFNDSPBW-UHFFFAOYSA-N 2 0 341.503 3.320 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3nc(-c4cccs4)no3)CC[C@@H]21 ZINC000158506169 455308801 /nfs/dbraw/zinc/30/88/01/455308801.db2.gz AHHVISZZASQLSJ-CABCVRRESA-N 2 0 346.500 3.147 10 0 EGAERP C[C@@H]([NH2+]CCCc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000181491914 455343098 /nfs/dbraw/zinc/34/30/98/455343098.db2.gz OBMSRSFZDNKEKC-QGZVFWFLSA-N 2 0 327.472 3.305 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3C)cn2)CC1 ZINC000159004870 455345043 /nfs/dbraw/zinc/34/50/43/455345043.db2.gz FNTNDJIIIRBNHV-GOSISDBHSA-N 2 0 338.499 3.383 10 0 EGAERP OC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000245736586 455369171 /nfs/dbraw/zinc/36/91/71/455369171.db2.gz QYDHBOBGYOEKLI-ACDBMABISA-N 2 0 328.500 3.467 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000268746461 455712357 /nfs/dbraw/zinc/71/23/57/455712357.db2.gz HUBNJVKMOBLGEZ-DYESRHJHSA-N 3 0 327.516 3.113 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+](C)C ZINC000269054941 455776872 /nfs/dbraw/zinc/77/68/72/455776872.db2.gz WRHOOYVKTLRKLD-CYBMUJFWSA-N 2 0 345.409 3.354 10 0 EGAERP COc1ccc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)nc1 ZINC000272027039 455825401 /nfs/dbraw/zinc/82/54/01/455825401.db2.gz MMCFIGGQJAKBTD-UHFFFAOYSA-N 2 0 340.471 3.224 10 0 EGAERP Cc1cccnc1CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000296364036 455918682 /nfs/dbraw/zinc/91/86/82/455918682.db2.gz IWNVPGSIVCVTTR-QGZVFWFLSA-N 2 0 327.472 3.224 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)[C@H](C)C1 ZINC000280218182 455919933 /nfs/dbraw/zinc/91/99/33/455919933.db2.gz JMLUJALWJYYSPG-RHSMWYFYSA-N 2 0 347.894 3.083 10 0 EGAERP CN(C[C@@H]1CCC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000261694472 455930328 /nfs/dbraw/zinc/93/03/28/455930328.db2.gz HZSNQIWZWBQLCW-DOMZBBRYSA-N 2 0 339.277 3.204 10 0 EGAERP CCN(Cc1cc(Br)ccc1F)C[C@@]1(C)CC[NH2+]C1 ZINC000261893653 455967241 /nfs/dbraw/zinc/96/72/41/455967241.db2.gz UNUGBWYOFBQYOF-HNNXBMFYSA-N 2 0 329.257 3.410 10 0 EGAERP CCC[NH+]1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000188005528 455979305 /nfs/dbraw/zinc/97/93/05/455979305.db2.gz CZDDYANNXKTJGL-UHFFFAOYSA-N 2 0 335.923 3.162 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+](CC)CC3CC3)CC2)CC[N@@H+]1C ZINC000632276852 460704830 /nfs/dbraw/zinc/70/48/30/460704830.db2.gz YQSYKFFSNSTLBW-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@H+](C)C[C@@H]3C)c2)C[C@@H](C)O1 ZINC000222171942 456046285 /nfs/dbraw/zinc/04/62/85/456046285.db2.gz WOFXDOOSGVKORC-TVKQPGBESA-N 2 0 331.504 3.048 10 0 EGAERP CC[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188647120 456104140 /nfs/dbraw/zinc/10/41/40/456104140.db2.gz ZJAFPZVJSRJPSM-CVEARBPZSA-N 2 0 336.480 3.041 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](n2ccnc2C)C1)c1ccccc1 ZINC000229474810 456128253 /nfs/dbraw/zinc/12/82/53/456128253.db2.gz BNGMMZHJTADOKZ-MOPGFXCFSA-N 2 0 340.471 3.048 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246476 456189230 /nfs/dbraw/zinc/18/92/30/456189230.db2.gz CPQMDDYCWHPJEL-NHCUHLMSSA-N 2 0 327.516 3.069 10 0 EGAERP Cc1cc(N2CCC[C@@H]2C[N@@H+]2CCC[C@H]2CO)c2cc(F)ccc2[nH+]1 ZINC000301733034 456201334 /nfs/dbraw/zinc/20/13/34/456201334.db2.gz UACVTJIJHRDRNU-SJORKVTESA-N 2 0 343.446 3.108 10 0 EGAERP CCc1cc(N2CC[N@H+](C[C@@H](C)O)[C@H](CC)C2)c2ccccc2[nH+]1 ZINC000301775122 456211452 /nfs/dbraw/zinc/21/14/52/456211452.db2.gz GFADBIDPGWZVRQ-NVXWUHKLSA-N 2 0 327.472 3.079 10 0 EGAERP Fc1ccc2c(c1)[nH+]ccc2N1CC[C@@H](OCC[NH+]2CCCCC2)C1 ZINC000301834115 456227715 /nfs/dbraw/zinc/22/77/15/456227715.db2.gz VHWRJDSKRYNBGK-QGZVFWFLSA-N 2 0 343.446 3.455 10 0 EGAERP CC(C)(C)O[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657703156 462236939 /nfs/dbraw/zinc/23/69/39/462236939.db2.gz UYWIOQXBEKBSHV-ROUUACIJSA-N 2 0 340.471 3.483 10 0 EGAERP C[C@H](Cn1cccn1)[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319831 462477565 /nfs/dbraw/zinc/47/75/65/462477565.db2.gz JGXAOARRBXIUPD-UYAOXDASSA-N 2 0 338.499 3.164 10 0 EGAERP C[C@H](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@@H]1CCC[NH2+]C1 ZINC000325315071 456682092 /nfs/dbraw/zinc/68/20/92/456682092.db2.gz BKEVTJMXUWCXRO-SJLPKXTDSA-N 2 0 329.488 3.247 10 0 EGAERP COc1cc2cc[nH+]c(NC[C@@H]3CC[N@@H+](C(C)C)C3)c2cc1OC ZINC000325993669 456689592 /nfs/dbraw/zinc/68/95/92/456689592.db2.gz LBUVZYXPFSAHHO-AWEZNQCLSA-N 2 0 329.444 3.394 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@H]2C)CC1 ZINC000343560284 456705874 /nfs/dbraw/zinc/70/58/74/456705874.db2.gz COMCGNOHPYJAHQ-IEBWSBKVSA-N 2 0 337.552 3.077 10 0 EGAERP COCc1ccc(CN(Cc2scnc2C)C[C@H]2CC[NH2+]C2)cc1 ZINC000328624503 456721257 /nfs/dbraw/zinc/72/12/57/456721257.db2.gz CKSQLQUNBFEQFB-SFHVURJKSA-N 2 0 345.512 3.210 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+]2Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000353525597 456736611 /nfs/dbraw/zinc/73/66/11/456736611.db2.gz HKULPZSBIDOQQV-JSXRDJHFSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283493525 456790546 /nfs/dbraw/zinc/79/05/46/456790546.db2.gz YFVARMSRDZCOCV-JWWGGVBKSA-N 2 0 328.500 3.269 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)CC1 ZINC000348683303 456815083 /nfs/dbraw/zinc/81/50/83/456815083.db2.gz OUHWRIBREMFELY-WVLNKYAVSA-N 2 0 335.536 3.066 10 0 EGAERP CC[C@@H]1C[C@H](C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000341272762 456828831 /nfs/dbraw/zinc/82/88/31/456828831.db2.gz PRLUGKGEOSBSHZ-RTBURBONSA-N 2 0 346.515 3.454 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292130012 456863450 /nfs/dbraw/zinc/86/34/50/456863450.db2.gz LLAVITYUEBHUAV-INIZCTEOSA-N 2 0 331.504 3.161 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000292130016 456863656 /nfs/dbraw/zinc/86/36/56/456863656.db2.gz LLAVITYUEBHUAV-MRXNPFEDSA-N 2 0 331.504 3.161 10 0 EGAERP COc1cccc(CC[NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)n1 ZINC000344960224 456879401 /nfs/dbraw/zinc/87/94/01/456879401.db2.gz YPWDAHYUBBDELC-UHFFFAOYSA-N 2 0 341.499 3.381 10 0 EGAERP c1nc2ccccc2n1-c1ccc(C[N@@H+]2CCN3CCC2CC3)cc1 ZINC000349311338 456938190 /nfs/dbraw/zinc/93/81/90/456938190.db2.gz CRGSCANLABYICN-UHFFFAOYSA-N 2 0 332.451 3.306 10 0 EGAERP Cc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c(C)c1 ZINC000349371833 456955660 /nfs/dbraw/zinc/95/56/60/456955660.db2.gz UJADTPMZDXRQEX-WCRBZPEASA-N 2 0 327.516 3.046 10 0 EGAERP CCCC[N@H+](C)C[C@@H](C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000356594302 457073228 /nfs/dbraw/zinc/07/32/28/457073228.db2.gz HXQAYDFHMOSCBU-QGZVFWFLSA-N 2 0 331.504 3.133 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000342685681 457454926 /nfs/dbraw/zinc/45/49/26/457454926.db2.gz ZDBPMUGHVPBVSA-HDICACEKSA-N 2 0 343.515 3.162 10 0 EGAERP C[C@@H]1CCC[C@@H](C)C1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397564706 457488796 /nfs/dbraw/zinc/48/87/96/457488796.db2.gz UZRZPPZXBVGJJW-QZTJIDSGSA-N 2 0 330.516 3.428 10 0 EGAERP CC[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@H]1CC1(C)C ZINC000397760793 457491944 /nfs/dbraw/zinc/49/19/44/457491944.db2.gz KYVUBGUNXPPQDE-RTBURBONSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000361511677 457762077 /nfs/dbraw/zinc/76/20/77/457762077.db2.gz URYNUQVEOGYRBN-FGTMMUONSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000411217897 457833251 /nfs/dbraw/zinc/83/32/51/457833251.db2.gz HPOILARRUWELBD-VURPSTOHSA-N 2 0 327.516 3.033 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361757622 457838660 /nfs/dbraw/zinc/83/86/60/457838660.db2.gz YTYYBKCXQKZVMV-MRXNPFEDSA-N 2 0 341.503 3.348 10 0 EGAERP CC1(C)CCC[N@H+](CCNC(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000444631050 457924414 /nfs/dbraw/zinc/92/44/14/457924414.db2.gz RUAXWIQFIDJFPC-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP Cc1nccc(CN2CC[C@H]3[C@@H](CCC[N@@H+]3Cc3ccccc3)C2)n1 ZINC000369152349 458102741 /nfs/dbraw/zinc/10/27/41/458102741.db2.gz AOZSEFAXQXBLDM-FPOVZHCZSA-N 2 0 336.483 3.272 10 0 EGAERP Cc1ncc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cn1 ZINC000358730638 458175869 /nfs/dbraw/zinc/17/58/69/458175869.db2.gz XIJRONPSFTVQAL-UHFFFAOYSA-N 2 0 344.890 3.440 10 0 EGAERP CCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000372169894 458218422 /nfs/dbraw/zinc/21/84/22/458218422.db2.gz QADZFBQXNAQXFR-MRXNPFEDSA-N 2 0 340.471 3.026 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)[C@@H](C)C1 ZINC000429801039 458372777 /nfs/dbraw/zinc/37/27/77/458372777.db2.gz GAZDQDBGOMLZCH-KBXCAEBGSA-N 2 0 335.467 3.125 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814369 458373975 /nfs/dbraw/zinc/37/39/75/458373975.db2.gz ZORHJIUYXZZIPO-NIAPBTPMSA-N 2 0 349.563 3.218 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH+]4CCC[C@@H]4C2)C3)cc1 ZINC000373026016 458379869 /nfs/dbraw/zinc/37/98/69/458379869.db2.gz QUHKOOIJGAZTKE-CSEOROSGSA-N 2 0 339.527 3.398 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423429710 458431389 /nfs/dbraw/zinc/43/13/89/458431389.db2.gz KIUVJBNLTYGWLQ-GXTWGEPZSA-N 2 0 325.294 3.414 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nccc2ccccc21 ZINC000423501674 458444916 /nfs/dbraw/zinc/44/49/16/458444916.db2.gz BPEVLDPOIHBSDU-IPJUCJBFSA-N 2 0 338.499 3.102 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC(C)(C)C[N@H+](C)Cc2ccccc2)C1 ZINC000437341155 458446070 /nfs/dbraw/zinc/44/60/70/458446070.db2.gz GNUYYNSIGCFEON-MOPGFXCFSA-N 2 0 346.515 3.466 10 0 EGAERP Cc1cc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)ccc1F ZINC000423505939 458446043 /nfs/dbraw/zinc/44/60/43/458446043.db2.gz IFHXQODUWQVRKF-GRERDSQWSA-N 2 0 345.506 3.391 10 0 EGAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423521192 458450488 /nfs/dbraw/zinc/45/04/88/458450488.db2.gz FZOPHZQTXWEQAR-RBUKOAKNSA-N 2 0 329.532 3.394 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459773775 458476128 /nfs/dbraw/zinc/47/61/28/458476128.db2.gz IWJKCCCVHJGEPG-CTNGQTDRSA-N 3 0 343.559 3.404 10 0 EGAERP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC2(C[C@H]1C)CC[NH2+]CC2 ZINC000424287445 458603403 /nfs/dbraw/zinc/60/34/03/458603403.db2.gz ITWVOECDZYRHMW-MRXNPFEDSA-N 2 0 343.515 3.214 10 0 EGAERP Cc1cc(N[C@H]2CC[N@H+](C)[C@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000462876331 458663517 /nfs/dbraw/zinc/66/35/17/458663517.db2.gz DMTRSZPIHFZAHP-OLZOCXBDSA-N 2 0 335.398 3.461 10 0 EGAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682920 458958732 /nfs/dbraw/zinc/95/87/32/458958732.db2.gz KLINKZLOOSXYJR-BMQTXXJKSA-N 2 0 329.532 3.204 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557049045 459046237 /nfs/dbraw/zinc/04/62/37/459046237.db2.gz UFDOGMMJZKLJIF-NRFANRHFSA-N 2 0 329.532 3.313 10 0 EGAERP C[NH2+][C@@H](CC(C)(C)C)C(=O)N[C@@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000567499409 459117089 /nfs/dbraw/zinc/11/70/89/459117089.db2.gz YFSWVBQZEWFURG-KSSFIOAISA-N 2 0 342.487 3.382 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000595021336 459218396 /nfs/dbraw/zinc/21/83/96/459218396.db2.gz CFJVAGGUTVCPHD-IAGOWNOFSA-N 2 0 326.525 3.312 10 0 EGAERP CCc1ccc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)s1 ZINC000540744949 459383977 /nfs/dbraw/zinc/38/39/77/459383977.db2.gz ZNPRPJYQHFVGTD-ZBFHGGJFSA-N 2 0 339.549 3.054 10 0 EGAERP c1ncn(Cc2ccccc2)c1CN1CCC(Nc2ccccn2)CC1 ZINC000525833211 459500794 /nfs/dbraw/zinc/50/07/94/459500794.db2.gz KTQQUTJKDVUNCV-UHFFFAOYSA-N 2 0 347.466 3.403 10 0 EGAERP OCCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CCc2ccccc21 ZINC000584177649 459674449 /nfs/dbraw/zinc/67/44/49/459674449.db2.gz HWSAJXCGJTYJKU-JOCHJYFZSA-N 2 0 336.479 3.204 10 0 EGAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000573858824 459747462 /nfs/dbraw/zinc/74/74/62/459747462.db2.gz CALDYNRJZOABDU-MRXNPFEDSA-N 2 0 339.483 3.047 10 0 EGAERP Cc1c(CN(C)Cc2cccc(C[NH+]3CCCCC3)c2)cnn1C ZINC000573930470 459759687 /nfs/dbraw/zinc/75/96/87/459759687.db2.gz KIQWGZHIFJDNHT-UHFFFAOYSA-N 2 0 326.488 3.346 10 0 EGAERP Fc1cc(CNC2CC[NH+](C3CC3)CC2)c(F)cc1Br ZINC000527989398 459789598 /nfs/dbraw/zinc/78/95/98/459789598.db2.gz ZTJVVVBVSYUHQH-UHFFFAOYSA-N 2 0 345.231 3.444 10 0 EGAERP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@@H](c2ccsc2)O1 ZINC000574881666 459886966 /nfs/dbraw/zinc/88/69/66/459886966.db2.gz GZNNAALPWHCPLS-KUHUBIRLSA-N 2 0 328.481 3.356 10 0 EGAERP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000593614366 459933310 /nfs/dbraw/zinc/93/33/10/459933310.db2.gz ROBQYDPLRLJLGS-INIZCTEOSA-N 2 0 326.525 3.456 10 0 EGAERP CCn1nccc1CC[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC000576055226 460059974 /nfs/dbraw/zinc/05/99/74/460059974.db2.gz KWWZVIVTSZNGBH-GOSISDBHSA-N 2 0 332.536 3.422 10 0 EGAERP CSC1(C[NH2+]Cc2ccsc2Br)CC[NH+](C)CC1 ZINC000598973257 460111555 /nfs/dbraw/zinc/11/15/55/460111555.db2.gz BGDPUOXANULJQC-UHFFFAOYSA-N 2 0 349.363 3.428 10 0 EGAERP COC(=O)CC1CCC([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)CC1 ZINC000599027128 460132383 /nfs/dbraw/zinc/13/23/83/460132383.db2.gz JFBBNVYDZIYATF-UHFFFAOYSA-N 2 0 336.451 3.099 10 0 EGAERP COC(=O)C1C[C@@H](C)[NH+](Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000599697998 460314605 /nfs/dbraw/zinc/31/46/05/460314605.db2.gz TYTDIPZQZMCARN-HZPDHXFCSA-N 2 0 341.455 3.343 10 0 EGAERP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000634732957 460498548 /nfs/dbraw/zinc/49/85/48/460498548.db2.gz SLBRSBTXAUDBLG-HKUYNNGSSA-N 2 0 332.488 3.112 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000623359061 460509528 /nfs/dbraw/zinc/50/95/28/460509528.db2.gz BIJOSGOZCUCVTC-RDTXWAMCSA-N 2 0 344.503 3.494 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H]2CCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623383176 460519792 /nfs/dbraw/zinc/51/97/92/460519792.db2.gz HPGOFXDXFPWMSW-UXHICEINSA-N 3 0 329.532 3.361 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)[C@@H](C)C1 ZINC000631698897 460520824 /nfs/dbraw/zinc/52/08/24/460520824.db2.gz DYPAKVFXIWDGBX-RNEPWOLLSA-N 2 0 349.316 3.407 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)CC1(C)C ZINC000623414482 460537042 /nfs/dbraw/zinc/53/70/42/460537042.db2.gz FVKBDLGEDJKAEK-IBGZPJMESA-N 2 0 346.515 3.345 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629517944 460790970 /nfs/dbraw/zinc/79/09/70/460790970.db2.gz BGEHJPPFFDBDMW-IOMROCGXSA-N 2 0 349.478 3.101 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000629527168 460796022 /nfs/dbraw/zinc/79/60/22/460796022.db2.gz MICYMYCLORHBOM-QGLKVJOYSA-N 2 0 327.516 3.017 10 0 EGAERP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629524509 460796321 /nfs/dbraw/zinc/79/63/21/460796321.db2.gz NOEWHLATQXKMIY-KRWDZBQOSA-N 2 0 330.497 3.438 10 0 EGAERP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[NH2+]1 ZINC000629535088 460798781 /nfs/dbraw/zinc/79/87/81/460798781.db2.gz BNZVAHJUTNMLBM-OBJCFNGXSA-N 2 0 327.516 3.017 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H](Cc1cccc(F)c1)c1cccc(F)c1 ZINC000629541499 460801339 /nfs/dbraw/zinc/80/13/39/460801339.db2.gz POFODNZKROXOJV-LJQANCHMSA-N 2 0 334.410 3.204 10 0 EGAERP [NH3+]CCCOCC[NH2+]Cc1cc(C(F)(F)F)cc(C(F)(F)F)c1 ZINC000629677772 460863825 /nfs/dbraw/zinc/86/38/25/460863825.db2.gz HGNNUAWTTUNHOV-UHFFFAOYSA-N 2 0 344.299 3.179 10 0 EGAERP C[C@@H]1CCC[N@@H+]1Cc1ccc(-c2ccc(N3CC[NH2+]CC3)nc2)cc1 ZINC000629703054 460877124 /nfs/dbraw/zinc/87/71/24/460877124.db2.gz YKPMCLJPNSUKBX-QGZVFWFLSA-N 2 0 336.483 3.143 10 0 EGAERP C[N@H+](CCCCc1cccc(Cl)c1)CCCN1CC[NH+](C)CC1 ZINC000621270934 460968809 /nfs/dbraw/zinc/96/88/09/460968809.db2.gz PXPWGVGXDRCVJA-UHFFFAOYSA-N 2 0 337.939 3.232 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@@]2(C)CCCS2)CC1 ZINC000628186915 461040511 /nfs/dbraw/zinc/04/05/11/461040511.db2.gz ZPUAHVGFGMENDA-GOSISDBHSA-N 2 0 328.566 3.343 10 0 EGAERP CC[C@H]1CCCC[C@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000628279950 461069847 /nfs/dbraw/zinc/06/98/47/461069847.db2.gz IXEXQSQKUXMEID-JKIHBJOUSA-N 2 0 333.564 3.446 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@@H]32)cc1OC1CC1 ZINC000628280667 461071422 /nfs/dbraw/zinc/07/14/22/461071422.db2.gz BMDRJDRPWYXBRB-AEFFLSMTSA-N 2 0 330.472 3.153 10 0 EGAERP Cc1ccc([C@H](C)C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000628337742 461093165 /nfs/dbraw/zinc/09/31/65/461093165.db2.gz POFOVVNVYIQPNQ-GCJKJVERSA-N 2 0 338.495 3.455 10 0 EGAERP Cc1ncsc1-c1ccc(CN(CC[NH+](C)C)CC[NH+](C)C)cc1 ZINC000668161212 461148594 /nfs/dbraw/zinc/14/85/94/461148594.db2.gz VJDFNVBZHUFTAJ-UHFFFAOYSA-N 2 0 346.544 3.044 10 0 EGAERP Cc1[nH]c2ccccc2c1C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662295079 461173466 /nfs/dbraw/zinc/17/34/66/461173466.db2.gz SMAWTSBFROXYSO-QGZVFWFLSA-N 2 0 339.483 3.371 10 0 EGAERP C[NH+](C)CCC[C@H]1C[N@H+](CCc2ccc3ccccc3c2)CCO1 ZINC000662319123 461189289 /nfs/dbraw/zinc/18/92/89/461189289.db2.gz DSOQKWXAMSQAKP-NRFANRHFSA-N 2 0 326.484 3.425 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662450773 461247838 /nfs/dbraw/zinc/24/78/38/461247838.db2.gz VXWRETXNUBLCRY-JTDSTZFVSA-N 2 0 343.515 3.058 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C1CC1)[C@H]1CCCCO1 ZINC000655812534 461469225 /nfs/dbraw/zinc/46/92/25/461469225.db2.gz QHYVSMDXIXIYOF-MOPGFXCFSA-N 2 0 326.444 3.013 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@H]2CCCCO2)cc1 ZINC000655813525 461470085 /nfs/dbraw/zinc/47/00/85/461470085.db2.gz ZGAHOEAHSZWCCS-UXHICEINSA-N 2 0 332.488 3.064 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000659873021 461473453 /nfs/dbraw/zinc/47/34/53/461473453.db2.gz JCRIUAZSEWURNB-GOSISDBHSA-N 2 0 338.442 3.255 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CC[C@H](C4CC4)[NH2+]3)cc2)C1 ZINC000653108164 461505243 /nfs/dbraw/zinc/50/52/43/461505243.db2.gz KVVZKUZLBZAAGF-YSGRDPCXSA-N 2 0 341.499 3.388 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+]Cc1oc2ccccc2c1Cl ZINC000631068841 461518494 /nfs/dbraw/zinc/51/84/94/461518494.db2.gz XIGGSGBEKCMBSR-AWEZNQCLSA-N 2 0 336.863 3.413 10 0 EGAERP CO[C@H](C[NH+]1CCC(OCC[NH+]2CCCC2)CC1)C1CCCCC1 ZINC000659974734 461524677 /nfs/dbraw/zinc/52/46/77/461524677.db2.gz PTHVDMXYZQEUBW-HXUWFJFHSA-N 2 0 338.536 3.159 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647187181 461553208 /nfs/dbraw/zinc/55/32/08/461553208.db2.gz FZPFIJVWUOPZOH-UHFFFAOYSA-N 2 0 326.488 3.392 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)C[C@H](C)CC(C)C)CC1 ZINC000663505315 461676733 /nfs/dbraw/zinc/67/67/33/461676733.db2.gz HNAQONDEBSEFRW-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCOC2)cc1 ZINC000656402291 461732815 /nfs/dbraw/zinc/73/28/15/461732815.db2.gz MURXGHMGVBCERT-CUUWFGFTSA-N 2 0 340.511 3.255 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@H]2CCCO2)cc1 ZINC000656407651 461736265 /nfs/dbraw/zinc/73/62/65/461736265.db2.gz TWRQXJPEUZBEQT-MNVIUDHYSA-N 2 0 340.511 3.398 10 0 EGAERP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)cn2)cc1 ZINC000647789529 461835760 /nfs/dbraw/zinc/83/57/60/461835760.db2.gz GYGVECWQADDCRL-XYJFISCASA-N 2 0 341.430 3.491 10 0 EGAERP c1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCCO2 ZINC000656785141 461895292 /nfs/dbraw/zinc/89/52/92/461895292.db2.gz JKQGTTGBFPTKFD-QGZVFWFLSA-N 2 0 330.472 3.060 10 0 EGAERP C[C@@H]1C[C@H](C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710100 461903592 /nfs/dbraw/zinc/90/35/92/461903592.db2.gz DMWRIBUZYTXJGP-HUUCEWRRSA-N 2 0 329.419 3.491 10 0 EGAERP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650711763 461905109 /nfs/dbraw/zinc/90/51/09/461905109.db2.gz CPPQZBSHULBCKM-UHFFFAOYSA-N 2 0 326.488 3.075 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cn(C)nc1-c1cccs1 ZINC000650719620 461912004 /nfs/dbraw/zinc/91/20/04/461912004.db2.gz WNTHJAXWOKAWGY-UHFFFAOYSA-N 2 0 326.469 3.158 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCCCOc2ccccc2)C1 ZINC000650725346 461917643 /nfs/dbraw/zinc/91/76/43/461917643.db2.gz YXFRBRUNXMKORO-HOJAQTOUSA-N 2 0 332.488 3.206 10 0 EGAERP CC(C)N1CC[C@H]([NH2+]C[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647992622 461926414 /nfs/dbraw/zinc/92/64/14/461926414.db2.gz SYUPRCZAGTXHSA-BVGQSLNGSA-N 2 0 339.886 3.202 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CCC2(C[NH3+])CC2)c(Br)c1 ZINC000650745564 461929191 /nfs/dbraw/zinc/92/91/91/461929191.db2.gz JPSCDBWUKBJQCH-NSHDSACASA-N 2 0 327.266 3.237 10 0 EGAERP Cc1ccc2[nH+]ccc(NCC3CC[NH+](C4CCOCC4)CC3)c2c1 ZINC000664153261 461960913 /nfs/dbraw/zinc/96/09/13/461960913.db2.gz RNIYNEOAFUZDML-UHFFFAOYSA-N 2 0 339.483 3.268 10 0 EGAERP CC[C@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301320 462028569 /nfs/dbraw/zinc/02/85/69/462028569.db2.gz ZUUXLRPJNWVXIJ-FPOVZHCZSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)C1 ZINC000657310555 462034904 /nfs/dbraw/zinc/03/49/04/462034904.db2.gz MUTXUZCHQUNIQZ-QGZVFWFLSA-N 2 0 338.499 3.351 10 0 EGAERP CCN(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1C ZINC000657311589 462036030 /nfs/dbraw/zinc/03/60/30/462036030.db2.gz ORLOOBPAGLXMRM-UHFFFAOYSA-N 2 0 335.455 3.192 10 0 EGAERP C[C@@H]([NH2+]C(C)(C)CNCc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657365678 462074821 /nfs/dbraw/zinc/07/48/21/462074821.db2.gz FFVCRNPDVBTXSQ-QGZVFWFLSA-N 2 0 349.482 3.486 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNCc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657365677 462074927 /nfs/dbraw/zinc/07/49/27/462074927.db2.gz FFVCRNPDVBTXSQ-KRWDZBQOSA-N 2 0 349.482 3.486 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415866 462109235 /nfs/dbraw/zinc/10/92/35/462109235.db2.gz ODELTFWJOIDRLG-IEBWSBKVSA-N 2 0 338.499 3.220 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCO[C@@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657438166 462124941 /nfs/dbraw/zinc/12/49/41/462124941.db2.gz ZSUDJFHBHNFOJG-YLJYHZDGSA-N 2 0 334.423 3.277 10 0 EGAERP CCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536866 462172050 /nfs/dbraw/zinc/17/20/50/462172050.db2.gz RNNZGBUXWRYPEX-UHFFFAOYSA-N 2 0 332.488 3.066 10 0 EGAERP c1cc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)ccc2o1 ZINC000657537341 462172122 /nfs/dbraw/zinc/17/21/22/462172122.db2.gz IAFMTWVSSUQONR-UHFFFAOYSA-N 2 0 328.456 3.413 10 0 EGAERP Fc1cc(Cl)ccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537287 462172403 /nfs/dbraw/zinc/17/24/03/462172403.db2.gz GVZCCVIXFUWAEQ-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C(F)(F)F)s1 ZINC000657573049 462186745 /nfs/dbraw/zinc/18/67/45/462186745.db2.gz IFCCVJWQHUSLFP-LBPRGKRZSA-N 2 0 337.455 3.129 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4c3CCC4)cc2)C1 ZINC000657595593 462196317 /nfs/dbraw/zinc/19/63/17/462196317.db2.gz IVGRQRQLADSPSY-OAQYLSRUSA-N 2 0 336.479 3.032 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3C3CC3)cc2)C1 ZINC000657594618 462196513 /nfs/dbraw/zinc/19/65/13/462196513.db2.gz JDJHGPUOLMHKRU-NRFANRHFSA-N 2 0 336.479 3.420 10 0 EGAERP C/C(=C\c1ccccc1)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596197 462197823 /nfs/dbraw/zinc/19/78/23/462197823.db2.gz VSFBCGXPCFWPRT-CAVPUYEOSA-N 2 0 336.479 3.446 10 0 EGAERP CSc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657598076 462199042 /nfs/dbraw/zinc/19/90/42/462199042.db2.gz XXTKCVNYBZFPQK-INIZCTEOSA-N 2 0 348.537 3.326 10 0 EGAERP Cc1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667687298 462214372 /nfs/dbraw/zinc/21/43/72/462214372.db2.gz IGDBNPXGOPKTHW-QGZVFWFLSA-N 2 0 335.455 3.152 10 0 EGAERP Cn1ncc(C2CCC2)c1CN1CC[C@@H]2[C@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708810 462226639 /nfs/dbraw/zinc/22/66/39/462226639.db2.gz LKROGRPOVBEDQJ-VQIMIIECSA-N 2 0 328.504 3.136 10 0 EGAERP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000648745125 462257890 /nfs/dbraw/zinc/25/78/90/462257890.db2.gz IRUJTZJZJSTOGA-HNBVOPMISA-N 2 0 343.515 3.011 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667821203 462279122 /nfs/dbraw/zinc/27/91/22/462279122.db2.gz XSBHSLCOWOQKSZ-CTNGQTDRSA-N 2 0 344.499 3.064 10 0 EGAERP c1cn(Cc2ccccc2)c(C[NH2+]CC2CC[NH+](CC3CC3)CC2)n1 ZINC000657812423 462280191 /nfs/dbraw/zinc/28/01/91/462280191.db2.gz BHMOMWCRHDKVPA-UHFFFAOYSA-N 2 0 338.499 3.143 10 0 EGAERP Cc1ccccc1-n1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)cn1 ZINC000657816752 462281668 /nfs/dbraw/zinc/28/16/68/462281668.db2.gz ZRENAQYHVQWALA-UHFFFAOYSA-N 2 0 338.499 3.392 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713790 462311918 /nfs/dbraw/zinc/31/19/18/462311918.db2.gz DOTGESZRRRAQPY-HOCLYGCPSA-N 2 0 340.870 3.293 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1(C)C ZINC000651794262 462337026 /nfs/dbraw/zinc/33/70/26/462337026.db2.gz NVXIOLYBTNUIDU-HNNXBMFYSA-N 2 0 339.886 3.082 10 0 EGAERP O[C@@]1(C2CC2)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000661633582 462337815 /nfs/dbraw/zinc/33/78/15/462337815.db2.gz VKKHVYFWENOMLC-NRFANRHFSA-N 2 0 328.500 3.409 10 0 EGAERP CC(C)C[N@H+](C)CCC[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000651864754 462360803 /nfs/dbraw/zinc/36/08/03/462360803.db2.gz CSGGFHMYGIHCJU-UHFFFAOYSA-N 2 0 343.515 3.387 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCN1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057165 462361214 /nfs/dbraw/zinc/36/12/14/462361214.db2.gz NODVTNJUFBGGDQ-AEFFLSMTSA-N 2 0 333.520 3.150 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@@H]1CC[NH+]1C(C)(C)C ZINC000658060392 462361461 /nfs/dbraw/zinc/36/14/61/462361461.db2.gz ZDGPUTAXZFVUGG-YZGWKJHDSA-N 2 0 329.532 3.359 10 0 EGAERP CO[C@H](C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H]1CCOC1 ZINC000658071351 462367287 /nfs/dbraw/zinc/36/72/87/462367287.db2.gz HLGXLSLMDHNSQU-WCHWRFHJSA-N 2 0 346.515 3.071 10 0 EGAERP CC[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277053 462379656 /nfs/dbraw/zinc/37/96/56/462379656.db2.gz RTDUMTRDGRLIDX-NJYVYQBISA-N 2 0 341.543 3.409 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1ccc(F)cc1Br ZINC000665282484 462382862 /nfs/dbraw/zinc/38/28/62/462382862.db2.gz ZCQFKENHUDPRHI-IAQYHMDHSA-N 2 0 331.273 3.482 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@H](C)C2CCCCC2)CC1 ZINC000665287375 462386502 /nfs/dbraw/zinc/38/65/02/462386502.db2.gz JJEQQWTUNREVLY-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCCc2c3ccccc3[nH]c21 ZINC000658108251 462388880 /nfs/dbraw/zinc/38/88/80/462388880.db2.gz QEJDUFBVEFEPEG-OXJNMPFZSA-N 2 0 342.531 3.407 10 0 EGAERP Cc1cccnc1[C@@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000658109750 462389729 /nfs/dbraw/zinc/38/97/29/462389729.db2.gz WKXIHNWWFPLODJ-ZCNNSNEGSA-N 2 0 346.563 3.278 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658135848 462399274 /nfs/dbraw/zinc/39/92/74/462399274.db2.gz BDZPQHQYDOSRBG-KDOFPFPSSA-N 2 0 346.421 3.382 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)ccc1F ZINC000658135855 462399443 /nfs/dbraw/zinc/39/94/43/462399443.db2.gz BDZPQHQYDOSRBG-RDTXWAMCSA-N 2 0 346.421 3.382 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137315 462400203 /nfs/dbraw/zinc/40/02/03/462400203.db2.gz KJGJYFINLOMJSF-NHCUHLMSSA-N 2 0 328.500 3.312 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)COCC2CC2)CC1 ZINC000651984273 462401805 /nfs/dbraw/zinc/40/18/05/462401805.db2.gz YOSGCOUHIMIWRY-ZWKOTPCHSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1F ZINC000658140498 462403692 /nfs/dbraw/zinc/40/36/92/462403692.db2.gz URXBNCNIEGPAIM-RHSMWYFYSA-N 2 0 346.421 3.382 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142710 462405738 /nfs/dbraw/zinc/40/57/38/462405738.db2.gz WDVLGFTYMHKIHZ-FPOVZHCZSA-N 2 0 340.442 3.169 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143572 462406582 /nfs/dbraw/zinc/40/65/82/462406582.db2.gz ZJAFCAXQTPSITJ-BUVFEPMLSA-N 2 0 336.479 3.276 10 0 EGAERP CCN1C[C@@H](C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1=O ZINC000652017092 462407224 /nfs/dbraw/zinc/40/72/24/462407224.db2.gz OEBBTNPVPOFRCM-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143576 462407490 /nfs/dbraw/zinc/40/74/90/462407490.db2.gz ZJAFCAXQTPSITJ-QGCDCVKKSA-N 2 0 336.479 3.276 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652246063 462488357 /nfs/dbraw/zinc/48/83/57/462488357.db2.gz KEWKLUZPALVDOP-KKSFZXQISA-N 2 0 346.515 3.483 10 0 EGAERP Cc1ccc(C2([NH2+]CCCN3CC[NH+](C(C)C)CC3)CCC2)cc1 ZINC000646130855 462522517 /nfs/dbraw/zinc/52/25/17/462522517.db2.gz NEYLTLLJOKLBOJ-UHFFFAOYSA-N 2 0 329.532 3.380 10 0 EGAERP CCCCC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662155280 462532246 /nfs/dbraw/zinc/53/22/46/462532246.db2.gz LKQZZSNQQIFJRL-LJQANCHMSA-N 2 0 337.552 3.410 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC000265993634 535598776 /nfs/dbraw/zinc/59/87/76/535598776.db2.gz NCNAPAWLRYJWQP-QFBILLFUSA-N 2 0 331.504 3.083 10 0 EGAERP CCC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccnc1 ZINC000185573261 535702230 /nfs/dbraw/zinc/70/22/30/535702230.db2.gz WCWPWMZJHDQQEN-FQEVSTJZSA-N 2 0 344.547 3.463 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC(F)F ZINC000353439799 536897506 /nfs/dbraw/zinc/89/75/06/536897506.db2.gz IXCXNFHJWRFDMM-KFWWJZLASA-N 2 0 340.414 3.259 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1)C1CC[NH+](C)CC1 ZINC000165014914 546983918 /nfs/dbraw/zinc/98/39/18/546983918.db2.gz XNKDSJXIXQALPX-WDYCEAGBSA-N 2 0 335.561 3.451 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccc(F)cc32)(N2CCCCC2)CC1 ZINC000175016101 547009401 /nfs/dbraw/zinc/00/94/01/547009401.db2.gz COPGNCRCUAIJMP-HXUWFJFHSA-N 2 0 345.506 3.353 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1 ZINC000672746886 548471735 /nfs/dbraw/zinc/47/17/35/548471735.db2.gz DZCQJPYSILSDCO-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678242138 549440255 /nfs/dbraw/zinc/44/02/55/549440255.db2.gz YITNHETXPASNMA-HXUWFJFHSA-N 2 0 327.516 3.166 10 0 EGAERP C[C@@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)C1CC[NH+](C)CC1 ZINC000679070188 549629893 /nfs/dbraw/zinc/62/98/93/549629893.db2.gz NRZCGJBQKBCQSB-KZNAEPCWSA-N 2 0 345.531 3.438 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000682075414 550068938 /nfs/dbraw/zinc/06/89/38/550068938.db2.gz GYTYZSWXBVWDHD-OAQYLSRUSA-N 2 0 327.516 3.164 10 0 EGAERP CO[C@@H]1CCC[C@@H]([NH2+]Cc2ccc(C[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc2)C1 ZINC000684367942 550320067 /nfs/dbraw/zinc/32/00/67/550320067.db2.gz JECNJCMDUMDUKB-HRQSHJORSA-N 2 0 346.515 3.343 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409239 550326218 /nfs/dbraw/zinc/32/62/18/550326218.db2.gz LRXYGJMZJLOPQL-NHCUHLMSSA-N 2 0 335.495 3.377 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](CC(F)(F)F)C2)cc1 ZINC000683721022 576190800 /nfs/dbraw/zinc/19/08/00/576190800.db2.gz NYBZQLBZAGERNP-OAHLLOKOSA-N 2 0 330.394 3.401 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C1CC(NC(=O)OC(C)(C)C)C1 ZINC000229837127 1296159648 /nfs/dbraw/zinc/15/96/48/1296159648.db2.gz DOSZPWSVSNKBST-FHERZECASA-N 2 0 327.513 3.142 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCC12CCOCC2 ZINC000873249384 1297389133 /nfs/dbraw/zinc/38/91/33/1297389133.db2.gz NCMBYXMTIWVJEW-PLMTUMEDSA-N 2 0 342.483 3.039 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000378910370 1297527951 /nfs/dbraw/zinc/52/79/51/1297527951.db2.gz IJBSHIDBXAOUON-QGZVFWFLSA-N 2 0 339.524 3.240 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000388476684 1297602191 /nfs/dbraw/zinc/60/21/91/1297602191.db2.gz RZHWVULMNLNGNE-ZFWWWQNUSA-N 2 0 325.294 3.441 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+][C@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000389808934 1297613244 /nfs/dbraw/zinc/61/32/44/1297613244.db2.gz MBHWFDSZUNNDMG-HOTGVXAUSA-N 2 0 339.524 3.096 10 0 EGAERP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@@H]3CCCC4(C3)OCCO4)C2)cc1 ZINC000712702260 1298268054 /nfs/dbraw/zinc/26/80/54/1298268054.db2.gz QBEBMXZLOCQALI-VQTJNVASSA-N 2 0 344.499 3.174 10 0 EGAERP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@@]45CCOC5)CC[C@H]32)cc1 ZINC000886043663 1303332664 /nfs/dbraw/zinc/33/26/64/1303332664.db2.gz HORZTEMEOLHASR-CIAFKFPVSA-N 2 0 340.511 3.400 10 0 EGAERP c1cn2cc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)sc2n1 ZINC000891610790 1305109366 /nfs/dbraw/zinc/10/93/66/1305109366.db2.gz DKEPPOCZHRPBFN-UHFFFAOYSA-N 2 0 332.517 3.484 10 0 EGAERP COC(=O)c1cc(CNC2CC[NH+](C(C)(C)C)CC2)[nH]c1C(C)C ZINC000894195956 1306269166 /nfs/dbraw/zinc/26/91/66/1306269166.db2.gz ROMQYSJUGJKNOK-UHFFFAOYSA-N 2 0 335.492 3.277 10 0 EGAERP CC[C@@H](C)[C@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000895650106 1309448396 /nfs/dbraw/zinc/44/83/96/1309448396.db2.gz ULTPCHMWEGCDFK-QUCCMNQESA-N 2 0 348.531 3.054 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]C[C@@H]4CCCOC4)CC[C@@H]3C2)cc1 ZINC000898522653 1310777598 /nfs/dbraw/zinc/77/75/98/1310777598.db2.gz QUWJBWNKJDAYGW-WOZUAGRISA-N 2 0 328.500 3.303 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCCC2=O)cc1 ZINC000858109893 1328684263 /nfs/dbraw/zinc/68/42/63/1328684263.db2.gz CIUQUGPKLZTSFY-DOTOQJQBSA-N 2 0 329.488 3.337 10 0 EGAERP CC[NH+]1CCN(c2ccc(N[C@H]3CC[N@H+](C)C(C)(C)C3)cc2)CC1 ZINC000858385536 1328750265 /nfs/dbraw/zinc/75/02/65/1328750265.db2.gz BXGTUZYSSQRLCF-SFHVURJKSA-N 2 0 330.520 3.113 10 0 EGAERP Clc1n[nH]c(C2CC2)c1C[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000921961990 1322430553 /nfs/dbraw/zinc/43/05/53/1322430553.db2.gz UXDGRHAVRKEPAZ-UHFFFAOYSA-N 2 0 345.878 3.342 10 0 EGAERP COCCc1ncc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)s1 ZINC000922502594 1322543641 /nfs/dbraw/zinc/54/36/41/1322543641.db2.gz FBFVGEXGOTYSNT-UHFFFAOYSA-N 2 0 337.533 3.219 10 0 EGAERP c1cc2c(cc1[C@@H]([NH2+]CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)C1CC1)OCCO2 ZINC000923379962 1322742749 /nfs/dbraw/zinc/74/27/49/1322742749.db2.gz SHEQWYXFVRMGNV-FVOQVOFTSA-N 2 0 342.483 3.419 10 0 EGAERP C[C@@H](c1ccc(OC(F)F)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449143 1322753391 /nfs/dbraw/zinc/75/33/91/1322753391.db2.gz KJCKRQFXVQSPNZ-BBRMVZONSA-N 2 0 340.414 3.179 10 0 EGAERP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923502186 1322764156 /nfs/dbraw/zinc/76/41/56/1322764156.db2.gz XXVDFZYWUYFBRF-RHSMWYFYSA-N 2 0 346.906 3.310 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552325 1322775578 /nfs/dbraw/zinc/77/55/78/1322775578.db2.gz VVPPVQYQYSRWJS-DOTOQJQBSA-N 2 0 345.512 3.067 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924663063 1323101228 /nfs/dbraw/zinc/10/12/28/1323101228.db2.gz UJCNNZBGXHSXSY-ZDUSSCGKSA-N 2 0 349.466 3.445 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000924865888 1323193060 /nfs/dbraw/zinc/19/30/60/1323193060.db2.gz KASJAWPQJTVGOG-IBGZPJMESA-N 2 0 332.488 3.304 10 0 EGAERP COCCC[NH+]1CCC(N[C@@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924912975 1323209983 /nfs/dbraw/zinc/20/99/83/1323209983.db2.gz SPGBQBSWSBDFPT-QGZVFWFLSA-N 2 0 337.895 3.203 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)C3CCOCC3)C2)cc1 ZINC000924940202 1323222543 /nfs/dbraw/zinc/22/25/43/1323222543.db2.gz ZQKMRKFBLNROCI-DENIHFKCSA-N 2 0 342.527 3.346 10 0 EGAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924968619 1323231669 /nfs/dbraw/zinc/23/16/69/1323231669.db2.gz BTKDGZPVGBJACY-PZJWPPBQSA-N 2 0 348.531 3.063 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cnn(C2CCC2)c1 ZINC000925440383 1325150194 /nfs/dbraw/zinc/15/01/94/1325150194.db2.gz RDYUTCDWZXAFBT-ZACQAIPSSA-N 2 0 334.508 3.148 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925495768 1325178196 /nfs/dbraw/zinc/17/81/96/1325178196.db2.gz NTSFBRYSIMUBGK-LEWJYISDSA-N 3 0 329.532 3.396 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000925516233 1325187315 /nfs/dbraw/zinc/18/73/15/1325187315.db2.gz WNCFUIWVEGIDCJ-AGXSTUJCSA-N 3 0 327.516 3.278 10 0 EGAERP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925536083 1325195879 /nfs/dbraw/zinc/19/58/79/1325195879.db2.gz MWUZLJGHLNVWRU-LEWJYISDSA-N 2 0 338.499 3.173 10 0 EGAERP COc1ccccc1N1CC[C@@H]([NH2+][C@@H](CCC[NH3+])c2ccccc2)C1 ZINC000925552691 1325204518 /nfs/dbraw/zinc/20/45/18/1325204518.db2.gz LWXYOTSDUWXAGD-MOPGFXCFSA-N 2 0 339.483 3.344 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(O[C@H]2CCOC2)c1 ZINC000925553773 1325205809 /nfs/dbraw/zinc/20/58/09/1325205809.db2.gz VQRRHHCIKGDCIW-KSZLIROESA-N 2 0 332.488 3.158 10 0 EGAERP Cc1ccccc1C1(C[NH2+][C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCOCC1 ZINC000925558157 1325208250 /nfs/dbraw/zinc/20/82/50/1325208250.db2.gz NVGKNQHTMSHRFA-YZGWKJHDSA-N 2 0 342.527 3.409 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925561742 1325210817 /nfs/dbraw/zinc/21/08/17/1325210817.db2.gz DNYGTSRCCJFGDT-OAOYMFHYSA-N 2 0 331.479 3.018 10 0 EGAERP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925600377 1325228222 /nfs/dbraw/zinc/22/82/22/1325228222.db2.gz VNUSWSZIAFWBPB-HZPDHXFCSA-N 2 0 333.545 3.322 10 0 EGAERP CC(C)(CO)[C@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607428 1325230333 /nfs/dbraw/zinc/23/03/33/1325230333.db2.gz PUYIIAJECLLXPP-AKHDSKFASA-N 2 0 330.516 3.155 10 0 EGAERP CCC1(C[NH2+][C@H]2CCC2(OC)OC)CC[NH+](Cc2ccccc2)CC1 ZINC000925621080 1325234026 /nfs/dbraw/zinc/23/40/26/1325234026.db2.gz YTQPSOKCWMOFJO-IBGZPJMESA-N 2 0 346.515 3.420 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000925627464 1325238547 /nfs/dbraw/zinc/23/85/47/1325238547.db2.gz ACRUSCVEXISMLC-HNAYVOBHSA-N 2 0 332.488 3.147 10 0 EGAERP Fc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1F ZINC000925638242 1325241906 /nfs/dbraw/zinc/24/19/06/1325241906.db2.gz YXYZEHSCSBNBGY-ZBFHGGJFSA-N 2 0 326.406 3.404 10 0 EGAERP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925637500 1325242386 /nfs/dbraw/zinc/24/23/86/1325242386.db2.gz MNEVDJQOEMUMLQ-SJORKVTESA-N 2 0 345.531 3.134 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000925637864 1325242796 /nfs/dbraw/zinc/24/27/96/1325242796.db2.gz UBIIYZAEFFEUMN-HZPDHXFCSA-N 2 0 346.450 3.304 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000925704326 1325265335 /nfs/dbraw/zinc/26/53/35/1325265335.db2.gz GHGTYLOIANAAAJ-HEJMPPONSA-N 3 0 327.516 3.210 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)C23CCCC3)CC1 ZINC000925707283 1325266519 /nfs/dbraw/zinc/26/65/19/1325266519.db2.gz ORFAOICQUNRZPA-QGZVFWFLSA-N 2 0 349.519 3.160 10 0 EGAERP COC(=O)c1nc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)ccc1Cl ZINC000925709589 1325267777 /nfs/dbraw/zinc/26/77/77/1325267777.db2.gz GYZXHLILWJHVAT-MRXNPFEDSA-N 2 0 347.846 3.091 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C[C@@H]([NH3+])C1 ZINC000925717838 1325268975 /nfs/dbraw/zinc/26/89/75/1325268975.db2.gz VELRARZTEQUYJP-HSALFYBXSA-N 2 0 346.515 3.378 10 0 EGAERP CC[NH+](CC)Cc1cc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1OC ZINC000925783616 1325300433 /nfs/dbraw/zinc/30/04/33/1325300433.db2.gz FXCSFNWFDVVDHI-MDZRGWNJSA-N 3 0 333.520 3.043 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1 ZINC000925791127 1325302890 /nfs/dbraw/zinc/30/28/90/1325302890.db2.gz NLZCXYYSUHUACI-INMHGKMJSA-N 2 0 332.492 3.066 10 0 EGAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1csc(-c2ccccc2F)n1 ZINC000925817104 1325314694 /nfs/dbraw/zinc/31/46/94/1325314694.db2.gz NEIHUMSYIZKGRD-ZDUSSCGKSA-N 2 0 348.491 3.023 10 0 EGAERP FC(F)(F)CN1CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925818248 1325315059 /nfs/dbraw/zinc/31/50/59/1325315059.db2.gz SWDAFEDZMRSPGU-UHFFFAOYSA-N 2 0 335.458 3.163 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000925816954 1325315170 /nfs/dbraw/zinc/31/51/70/1325315170.db2.gz MEDHZYKBJRXODT-VQIMIIECSA-N 2 0 335.923 3.379 10 0 EGAERP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925839268 1325322013 /nfs/dbraw/zinc/32/20/13/1325322013.db2.gz BDQYFCWLLNBLTG-XFQXTVEOSA-N 2 0 329.488 3.088 10 0 EGAERP Cn1nc(C(F)(F)F)cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000925836311 1325322754 /nfs/dbraw/zinc/32/27/54/1325322754.db2.gz ZDJSWETWVDFUHQ-AWEZNQCLSA-N 2 0 326.366 3.009 10 0 EGAERP CCCCc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855202 1325332093 /nfs/dbraw/zinc/33/20/93/1325332093.db2.gz OSCQHXWEKQSHMM-APWZRJJASA-N 2 0 344.499 3.365 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3ccc(Br)cc32)C1 ZINC000925875848 1325339744 /nfs/dbraw/zinc/33/97/44/1325339744.db2.gz NYOGPGUGMOPTSJ-NJZAAPMLSA-N 2 0 339.277 3.380 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)ccc1OC ZINC000925883408 1325341678 /nfs/dbraw/zinc/34/16/78/1325341678.db2.gz WEAQXVSCKMDEDN-FCEWJHQRSA-N 3 0 333.520 3.315 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc2c(c1)OCCO2 ZINC000925888461 1325344364 /nfs/dbraw/zinc/34/43/64/1325344364.db2.gz TZVXLDSFCRZERS-FPDPHYFHSA-N 2 0 338.451 3.168 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccnnc1 ZINC000926135234 1325442330 /nfs/dbraw/zinc/44/23/30/1325442330.db2.gz BBOONMOTIFXFQG-LRGNLBRXSA-N 2 0 336.483 3.428 10 0 EGAERP C[C@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324243 1325516710 /nfs/dbraw/zinc/51/67/10/1325516710.db2.gz DEFOSTFQMKVCAQ-PKOBYXMFSA-N 2 0 338.499 3.392 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)n(C)n1 ZINC000926737318 1327693191 /nfs/dbraw/zinc/69/31/91/1327693191.db2.gz FMKUSCAYCPHWOD-IRFCIJBXSA-N 2 0 344.547 3.151 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@H]23)CC1 ZINC000927039916 1327828238 /nfs/dbraw/zinc/82/82/38/1327828238.db2.gz XOEFEYRGJHHXAK-CUQMJCILSA-N 2 0 326.575 3.363 10 0 EGAERP C[C@H]([NH2+]C1([C@@H]2CCCCO2)CC1)c1cccc(OCC[NH+](C)C)c1 ZINC000927158163 1327898847 /nfs/dbraw/zinc/89/88/47/1327898847.db2.gz BBQVLSSPUWGWLH-LPHOPBHVSA-N 2 0 332.488 3.379 10 0 EGAERP Cc1c(F)nccc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000862275518 1329473311 /nfs/dbraw/zinc/47/33/11/1329473311.db2.gz BMJCNMRTJNYPMZ-UHFFFAOYSA-N 2 0 331.435 3.149 10 0 EGAERP C[NH+]1CCN(c2cc[nH+]cc2NCc2nc(C(C)(C)C)cs2)CC1 ZINC000865509076 1329707285 /nfs/dbraw/zinc/70/72/85/1329707285.db2.gz JVAQNADKTZLCBL-UHFFFAOYSA-N 2 0 345.516 3.200 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccnc(F)c2)CC1 ZINC000865723487 1329732651 /nfs/dbraw/zinc/73/26/51/1329732651.db2.gz YKDYNIDWGYXQPB-UHFFFAOYSA-N 2 0 342.462 3.043 10 0 EGAERP Cn1c2ccccc2nc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773677 1329736806 /nfs/dbraw/zinc/73/68/06/1329736806.db2.gz HKOKWABJJCXKAA-UHFFFAOYSA-N 2 0 348.494 3.327 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cn3ccccc3n2)(c2ccccc2)CC1 ZINC000865774036 1329737008 /nfs/dbraw/zinc/73/70/08/1329737008.db2.gz NSWWCPCZGSSYSN-UHFFFAOYSA-N 2 0 334.467 3.088 10 0 EGAERP C[NH+](C)C[C@@H]1CN(c2ccc3cnc(Cl)cc3c2)C[C@H]1C[NH+](C)C ZINC000866010467 1329758725 /nfs/dbraw/zinc/75/87/25/1329758725.db2.gz JOJPKBFNQCPGNV-IAGOWNOFSA-N 2 0 346.906 3.064 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]C1CCN(CC[NH+](C)C)CC1 ZINC000866228558 1330080926 /nfs/dbraw/zinc/08/09/26/1330080926.db2.gz LAILEIPTVGHAIM-YWZLYKJASA-N 2 0 333.495 3.065 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CCC3)[C@@H]3CCCO3)CC2)ccn1 ZINC000866388130 1330105358 /nfs/dbraw/zinc/10/53/58/1330105358.db2.gz BVBUJKFUWFTUCA-LEWJYISDSA-N 2 0 343.515 3.231 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1OC ZINC000866517077 1330121033 /nfs/dbraw/zinc/12/10/33/1330121033.db2.gz VZLJAFNVPIXSAA-XRTORIHISA-N 2 0 334.504 3.487 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001323170618 1387306297 /nfs/dbraw/zinc/30/62/97/1387306297.db2.gz RWQFYAUTHAKFNL-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001323358265 1387350648 /nfs/dbraw/zinc/35/06/48/1387350648.db2.gz RWKBVDAYHMYIAJ-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323641547 1387415812 /nfs/dbraw/zinc/41/58/12/1387415812.db2.gz KCEKVIZDYZAUAB-RLWBPELLSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001324169466 1387550387 /nfs/dbraw/zinc/55/03/87/1387550387.db2.gz XMDCENBIXYXXSD-INIZCTEOSA-N 2 0 337.533 3.194 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001324214512 1387560665 /nfs/dbraw/zinc/56/06/65/1387560665.db2.gz ZICSAWJDJGIMRD-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324466178 1387631839 /nfs/dbraw/zinc/63/18/39/1387631839.db2.gz CSNZIUMBIZNJQL-RBUKOAKNSA-N 2 0 337.552 3.170 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324517756 1387658799 /nfs/dbraw/zinc/65/87/99/1387658799.db2.gz MBLBVXYZUIKULZ-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC1CCCC1 ZINC001324544528 1387664765 /nfs/dbraw/zinc/66/47/65/1387664765.db2.gz FDFCWJJMKXPHDH-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001324647782 1387717296 /nfs/dbraw/zinc/71/72/96/1387717296.db2.gz QNVGYARTQQKWNV-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001324742826 1387758973 /nfs/dbraw/zinc/75/89/73/1387758973.db2.gz TVJWZINXYWTIIS-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001324803622 1387778980 /nfs/dbraw/zinc/77/89/80/1387778980.db2.gz KEUVZKSTZHKVJM-LAUBAEHRSA-N 2 0 345.531 3.236 10 0 EGAERP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324958600 1387852517 /nfs/dbraw/zinc/85/25/17/1387852517.db2.gz VASDHVOGYQUVBQ-ICSRJNTNSA-N 2 0 337.552 3.127 10 0 EGAERP COC(=O)Cc1ccccc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197193386 1368762122 /nfs/dbraw/zinc/76/21/22/1368762122.db2.gz AFMXYLYCZGDUBS-UHFFFAOYSA-N 2 0 346.515 3.202 10 0 EGAERP C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325436196 1387971888 /nfs/dbraw/zinc/97/18/88/1387971888.db2.gz HVVOFGZEHGBLKE-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2cnc3ccccc3c2)CC1 ZINC001198613136 1369073907 /nfs/dbraw/zinc/07/39/07/1369073907.db2.gz WDGOCBOUDYBIML-UHFFFAOYSA-N 2 0 339.483 3.048 10 0 EGAERP c1cc(C[NH2+]CCc2coc(-c3ccccc3)n2)n(-c2cc[nH+]cc2)n1 ZINC001199952329 1369295413 /nfs/dbraw/zinc/29/54/13/1369295413.db2.gz PVUJGJPTCAIGFH-UHFFFAOYSA-N 2 0 345.406 3.255 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001116501313 1370925038 /nfs/dbraw/zinc/92/50/38/1370925038.db2.gz VXMOFFPVKGDCDF-FQEVSTJZSA-N 2 0 343.515 3.014 10 0 EGAERP c1cc2cccc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c2o1 ZINC001118565790 1371199393 /nfs/dbraw/zinc/19/93/93/1371199393.db2.gz UUIZKEYYEUJQIV-UHFFFAOYSA-N 2 0 328.456 3.413 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001326285636 1388142129 /nfs/dbraw/zinc/14/21/29/1388142129.db2.gz GEKVJKLUPQTOEG-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001326448878 1388192439 /nfs/dbraw/zinc/19/24/39/1388192439.db2.gz CCXKIEHVNLFKGD-IBGZPJMESA-N 2 0 331.504 3.019 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)[NH+](C)C ZINC001326525478 1388229347 /nfs/dbraw/zinc/22/93/47/1388229347.db2.gz OHKXMHXWOMSXAN-GUDVDZBRSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001265707854 1377163228 /nfs/dbraw/zinc/16/32/28/1377163228.db2.gz GRIZZWJSDKTCOO-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1c(C)cccc1C ZINC001265857801 1377169754 /nfs/dbraw/zinc/16/97/54/1377169754.db2.gz LINIQWMYCQPONY-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@@H](C[NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001265977345 1377174719 /nfs/dbraw/zinc/17/47/19/1377174719.db2.gz YHVZLWKDWSUGAD-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116902 1377194400 /nfs/dbraw/zinc/19/44/00/1377194400.db2.gz OJFLTXJOCKZVLV-BGGMYYEUSA-N 2 0 337.552 3.242 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001266247625 1377245425 /nfs/dbraw/zinc/24/54/25/1377245425.db2.gz QJZYQTOWLIGRFF-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](C[C@H](C)CC(C)C)CC1 ZINC001327299103 1388488835 /nfs/dbraw/zinc/48/88/35/1388488835.db2.gz KRSVVOFWTUKTQV-RLLQIKCJSA-N 2 0 349.563 3.218 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327299266 1388490334 /nfs/dbraw/zinc/49/03/34/1388490334.db2.gz LYOANKPHEVSJAH-UXHICEINSA-N 2 0 349.563 3.245 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001266501854 1377323132 /nfs/dbraw/zinc/32/31/32/1377323132.db2.gz MJFVHVXLXSPQRH-IGVYDEPUSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001266520408 1377325776 /nfs/dbraw/zinc/32/57/76/1377325776.db2.gz MOQPHQSJVZEREI-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001266614215 1377344155 /nfs/dbraw/zinc/34/41/55/1377344155.db2.gz XGJVIGGNHDRTEF-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1 ZINC001267089936 1377411809 /nfs/dbraw/zinc/41/18/09/1377411809.db2.gz GWNHRCNJIDBRNV-OALUTQOASA-N 2 0 335.536 3.236 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@H]2CCCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001267180862 1377427014 /nfs/dbraw/zinc/42/70/14/1377427014.db2.gz DAWRDBAKKGOMJY-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H](NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001268236472 1377500259 /nfs/dbraw/zinc/50/02/59/1377500259.db2.gz IBPGDHZOBGNNRM-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001327455250 1388523445 /nfs/dbraw/zinc/52/34/45/1388523445.db2.gz KPYAHICHYQLHRD-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001277496497 1378227975 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AJMXQHNJCVDNIH-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001280349940 1378342641 /nfs/dbraw/zinc/34/26/41/1378342641.db2.gz BPKBRYNDVUVNBA-LPHOPBHVSA-N 2 0 331.504 3.236 10 0 EGAERP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001280367971 1378344294 /nfs/dbraw/zinc/34/42/94/1378344294.db2.gz XUOTXTMFSZYJPX-TZCBXBLLSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001280770586 1378372094 /nfs/dbraw/zinc/37/20/94/1378372094.db2.gz SSLKFJAPNJFJSC-WLMAVBAVSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)Cc1ccc([C@H](CNC(=O)[C@H](C)CC[NH+](C)C)[NH+](C)C)cc1 ZINC001141779303 1378375112 /nfs/dbraw/zinc/37/51/12/1378375112.db2.gz ANVJVQQKRLOQQN-XLIONFOSSA-N 2 0 347.547 3.192 10 0 EGAERP CC/C=C/CC[N@H+](C)CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001280833555 1378384518 /nfs/dbraw/zinc/38/45/18/1378384518.db2.gz YWUKYCPCZZIIQQ-VOTSOKGWSA-N 2 0 342.487 3.393 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001281021520 1378393175 /nfs/dbraw/zinc/39/31/75/1378393175.db2.gz OREDOONYFYUJQH-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCC[C@@H](C)C1 ZINC001142240884 1378424784 /nfs/dbraw/zinc/42/47/84/1378424784.db2.gz ZUSJFWUHIDPBQY-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001282800013 1378617248 /nfs/dbraw/zinc/61/72/48/1378617248.db2.gz HRRXBMBXDJVDRA-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC001282810334 1378621717 /nfs/dbraw/zinc/62/17/17/1378621717.db2.gz IJCCGPZZCNUDDB-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001282819995 1378625953 /nfs/dbraw/zinc/62/59/53/1378625953.db2.gz JQWBYEJSKJKUTJ-QGZVFWFLSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001283172833 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/nfs/dbraw/zinc/46/18/32/1379461832.db2.gz IFAJVZWFEVCPIZ-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)[C@H]1C ZINC001284149893 1379544906 /nfs/dbraw/zinc/54/49/06/1379544906.db2.gz ZNWNBOHLDGTFJR-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001284309473 1379698235 /nfs/dbraw/zinc/69/82/35/1379698235.db2.gz JKQJXVAOTNJJRO-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CC1(C)CN(C(=O)CC[NH+]2CCCCC2)C[C@H]1[NH2+]CCCC1CCC1 ZINC001284350348 1379749410 /nfs/dbraw/zinc/74/94/10/1379749410.db2.gz UWICACLGHHNOHZ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCCC[NH+]2C)C(C)C)cc1 ZINC001284546477 1379955104 /nfs/dbraw/zinc/95/51/04/1379955104.db2.gz XJJVMGQQJQBZGJ-FQEVSTJZSA-N 2 0 345.531 3.148 10 0 EGAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)c2c(C)cc(C)nc2C)CC1 ZINC001328006633 1388643850 /nfs/dbraw/zinc/64/38/50/1388643850.db2.gz GWYOZJXYVTUKCH-INIZCTEOSA-N 2 0 335.467 3.339 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001328048771 1388653852 /nfs/dbraw/zinc/65/38/52/1388653852.db2.gz YKURSLPTNXFJTL-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001328050601 1388654240 /nfs/dbraw/zinc/65/42/40/1388654240.db2.gz OYWYWAJSYKQRKU-ROUUACIJSA-N 2 0 349.563 3.410 10 0 EGAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CCC3CCCC3)CC2)CC1 ZINC001284968051 1380332390 /nfs/dbraw/zinc/33/23/90/1380332390.db2.gz IUXWRUAVRBWVHZ-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001328083028 1388664810 /nfs/dbraw/zinc/66/48/10/1388664810.db2.gz RUSGNRXDWWNTKB-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1CCCCC1 ZINC001328268364 1388706348 /nfs/dbraw/zinc/70/63/48/1388706348.db2.gz SGOYHZDEUYGOCQ-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cccc(F)c1 ZINC001328288344 1388716836 /nfs/dbraw/zinc/71/68/36/1388716836.db2.gz ZJUMFABUEHMENS-VQIMIIECSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C/Cl ZINC001328389009 1388734961 /nfs/dbraw/zinc/73/49/61/1388734961.db2.gz UCKNAIVSHVOQCN-JQUABVIOSA-N 2 0 341.927 3.020 10 0 EGAERP CC(C)C[NH+]1CCC(C(=O)NC2CCC3(CC2)CC[NH+](C)CC3)CC1 ZINC001159518138 1381815893 /nfs/dbraw/zinc/81/58/93/1381815893.db2.gz FBMLEWKHFJXLQP-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC001290954640 1382117146 /nfs/dbraw/zinc/11/71/46/1382117146.db2.gz QLAVHSZYKIJNGI-HZPDHXFCSA-N 2 0 342.487 3.284 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001297273576 1383136176 /nfs/dbraw/zinc/13/61/76/1383136176.db2.gz MMNCSUGFICBMGH-RDJZCZTQSA-N 2 0 338.455 3.306 10 0 EGAERP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001298899598 1383442992 /nfs/dbraw/zinc/44/29/92/1383442992.db2.gz XAQAADCPGVFXCJ-RTBURBONSA-N 2 0 335.536 3.118 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CC[NH+](CC=C(C)C)C2)C1 ZINC001328805414 1388871929 /nfs/dbraw/zinc/87/19/29/1388871929.db2.gz FBHYQICKUYHKGX-WOJBJXKFSA-N 2 0 349.563 3.245 10 0 EGAERP CO[C@H]1C[C@@H]([N@H+](C)CCC[NH+]2CCC(Cc3ccccc3)CC2)C1 ZINC001170148525 1384248720 /nfs/dbraw/zinc/24/87/20/1384248720.db2.gz JCRKWYSEKDMNMC-OYRHEFFESA-N 2 0 330.516 3.440 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001316610101 1384480050 /nfs/dbraw/zinc/48/00/50/1384480050.db2.gz HCEYRCVSUGTLOG-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1CC)[NH+](C)C ZINC001316739014 1384554460 /nfs/dbraw/zinc/55/44/60/1384554460.db2.gz LKBDDIRCKARPJY-OTWHNJEPSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316804697 1384595108 /nfs/dbraw/zinc/59/51/08/1384595108.db2.gz UZVGTNPODVTFQH-FHWLQOOXSA-N 2 0 337.552 3.076 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001316809806 1384605404 /nfs/dbraw/zinc/60/54/04/1384605404.db2.gz DVRCNNCOSZNAAY-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316811691 1384609746 /nfs/dbraw/zinc/60/97/46/1384609746.db2.gz OABXCKWSHHIHIL-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCC1CCCC1 ZINC001316835316 1384625837 /nfs/dbraw/zinc/62/58/37/1384625837.db2.gz NGMPUEBPIPASPP-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCCC1CCC1 ZINC001316852972 1384639920 /nfs/dbraw/zinc/63/99/20/1384639920.db2.gz ATRFLASIDDQRHA-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)[C@H](C)c1ccc(Cl)cc1 ZINC001316870431 1384655331 /nfs/dbraw/zinc/65/53/31/1384655331.db2.gz OOGBEWPQZBJGQA-OAHLLOKOSA-N 2 0 339.911 3.179 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)cc1 ZINC001317025614 1384792529 /nfs/dbraw/zinc/79/25/29/1384792529.db2.gz CSMRPTWIAIFJQR-IBGZPJMESA-N 2 0 345.531 3.282 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001317050001 1384826576 /nfs/dbraw/zinc/82/65/76/1384826576.db2.gz PFMOHTYFVALUAN-QGFMHUBQSA-N 2 0 335.536 3.115 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317091260 1384852945 /nfs/dbraw/zinc/85/29/45/1384852945.db2.gz OAHHCCJTNSZNIE-WDSOQIARSA-N 2 0 331.504 3.025 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317105994 1384870174 /nfs/dbraw/zinc/87/01/74/1384870174.db2.gz POHMTXMEAVFZIP-SLVIYJBESA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317138881 1384904191 /nfs/dbraw/zinc/90/41/91/1384904191.db2.gz WJBPLRJYJZMXKS-IBGZPJMESA-N 2 0 345.531 3.380 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001317140609 1384908266 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349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246627 1385019882 /nfs/dbraw/zinc/01/98/82/1385019882.db2.gz VXAJBNGHFWORDG-QUCCMNQESA-N 2 0 345.531 3.081 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001317271064 1385041530 /nfs/dbraw/zinc/04/15/30/1385041530.db2.gz KMJBHJHNTXWIOC-QOLSVTOYSA-N 2 0 343.515 3.059 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317345475 1385096027 /nfs/dbraw/zinc/09/60/27/1385096027.db2.gz AUCYRFXTLHKUBM-UEKDZROGSA-N 2 0 343.515 3.156 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317350197 1385099839 /nfs/dbraw/zinc/09/98/39/1385099839.db2.gz KCJUAMBXKHDUPT-ZWKOTPCHSA-N 2 0 335.536 3.234 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001317362945 1385105157 /nfs/dbraw/zinc/10/51/57/1385105157.db2.gz IVGCJRYRFJQPRK-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001317406591 1385118887 /nfs/dbraw/zinc/11/88/87/1385118887.db2.gz DKEZTNRUBDRINK-SJORKVTESA-N 2 0 349.494 3.075 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001317501371 1385204458 /nfs/dbraw/zinc/20/44/58/1385204458.db2.gz HYECRLNUDJWKLJ-WGLWSTOQSA-N 2 0 347.547 3.330 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317531843 1385258473 /nfs/dbraw/zinc/25/84/73/1385258473.db2.gz FQOMBOVFNRJZML-RTBURBONSA-N 2 0 345.531 3.226 10 0 EGAERP CCCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001317766803 1385456073 /nfs/dbraw/zinc/45/60/73/1385456073.db2.gz ISHJBRSQVYYPRW-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP CCc1nccn1[C@H](C)CC(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001318026288 1385610734 /nfs/dbraw/zinc/61/07/34/1385610734.db2.gz YHUWGFAABCGJDZ-MRXNPFEDSA-N 2 0 346.519 3.167 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001318445622 1385696339 /nfs/dbraw/zinc/69/63/39/1385696339.db2.gz OFWVIKWBXMFFHB-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001318406537 1385676249 /nfs/dbraw/zinc/67/62/49/1385676249.db2.gz IKDOETTWXXTVOQ-YZPMEYCISA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581607 1385769252 /nfs/dbraw/zinc/76/92/52/1385769252.db2.gz KRCMMJMLTWAFOU-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318637025 1385809245 /nfs/dbraw/zinc/80/92/45/1385809245.db2.gz UOXGKAQNWDXXFT-IEBWSBKVSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001318670164 1385827724 /nfs/dbraw/zinc/82/77/24/1385827724.db2.gz HSTXOFIDIKYPOX-HDICACEKSA-N 2 0 347.547 3.378 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001318938061 1385888319 /nfs/dbraw/zinc/88/83/19/1385888319.db2.gz RRXNDUJKJNSBRB-RRFGBZISSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001318978424 1385906598 /nfs/dbraw/zinc/90/65/98/1385906598.db2.gz BHWNHASNGZVGNL-MISYRCLQSA-N 2 0 345.531 3.497 10 0 EGAERP CC[C@@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001318983260 1385908622 /nfs/dbraw/zinc/90/86/22/1385908622.db2.gz IHRJNLTVGVGHSG-KZNAEPCWSA-N 2 0 341.515 3.018 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001319353491 1386076469 /nfs/dbraw/zinc/07/64/69/1386076469.db2.gz MFPLPGSGWNITTK-ZGKJDNBHSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCC1 ZINC001698635695 1406280769 /nfs/dbraw/zinc/28/07/69/1406280769.db2.gz CBFDFHODVUNYJC-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001319688237 1386252788 /nfs/dbraw/zinc/25/27/88/1386252788.db2.gz ATEVHBVPMZYSIF-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001319788055 1386296091 /nfs/dbraw/zinc/29/60/91/1386296091.db2.gz KSCSJBMKQMDLGP-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001319868573 1386346714 /nfs/dbraw/zinc/34/67/14/1386346714.db2.gz LPHSCHOMBLQPGW-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC[N@H+](C)CC2=CCCCC2)CC1)[NH+](C)C ZINC001319888346 1386363703 /nfs/dbraw/zinc/36/37/03/1386363703.db2.gz OMUKYYIUOLYCRY-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H](CC[NH2+]CC/C=C\c1ccccc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001320463396 1386616178 /nfs/dbraw/zinc/61/61/78/1386616178.db2.gz GXHMSNVQKLDXLS-UMAYQZLQSA-N 2 0 343.515 3.059 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001320767274 1386712564 /nfs/dbraw/zinc/71/25/64/1386712564.db2.gz QIEUDVDGBGMANE-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC[NH2+]CC2CC3(CCC3)C2)C1 ZINC001320821419 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347.547 3.189 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001321710623 1386962402 /nfs/dbraw/zinc/96/24/02/1386962402.db2.gz RRXQBCVSMXXAEJ-YLJYHZDGSA-N 2 0 343.515 3.274 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698693495 1406337813 /nfs/dbraw/zinc/33/78/13/1406337813.db2.gz AKJTVXYZTOKCFZ-MSOLQXFVSA-N 2 0 339.568 3.229 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001698695960 1406339355 /nfs/dbraw/zinc/33/93/55/1406339355.db2.gz SJMVHUPNWFUNKH-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001322177720 1387089452 /nfs/dbraw/zinc/08/94/52/1387089452.db2.gz VOJTWHYFWSHLPD-QZTJIDSGSA-N 2 0 345.531 3.285 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CC=C(C)C)CC2)C1 ZINC001698699586 1406342357 /nfs/dbraw/zinc/34/23/57/1406342357.db2.gz XIVGUJJKGIWAIH-HXUWFJFHSA-N 2 0 349.563 3.293 10 0 EGAERP CN(CCC[NH2+]CC1CCCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001322566850 1387206661 /nfs/dbraw/zinc/20/66/61/1387206661.db2.gz RATZCFDLCZRIEB-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322567611 1387206673 /nfs/dbraw/zinc/20/66/73/1387206673.db2.gz ZSTJMDIEJCSBSC-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001322568415 1387206773 /nfs/dbraw/zinc/20/67/73/1387206773.db2.gz GMLCPOSUTIMQAP-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001698707001 1406348809 /nfs/dbraw/zinc/34/88/09/1406348809.db2.gz GSGFEENEZYCFTD-UWCDRFHNSA-N 2 0 335.536 3.233 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)[C@H]1CCCC[N@@H+]1CC)c1ccccc1 ZINC001322852608 1387246929 /nfs/dbraw/zinc/24/69/29/1387246929.db2.gz SGGSPNPPWQDKLI-WOJBJXKFSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)CCC[NH+]1CCCC1 ZINC001329201563 1389018646 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349.563 3.269 10 0 EGAERP C[C@@H]1C[N@H+](C)C[C@H]1NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001330176523 1389328504 /nfs/dbraw/zinc/32/85/04/1389328504.db2.gz ZDKHATVJNPSMAS-ZMWHVPEISA-N 2 0 327.516 3.112 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001331176303 1389643423 /nfs/dbraw/zinc/64/34/23/1389643423.db2.gz IRSPZQLZUPLPGG-FQEVSTJZSA-N 2 0 345.531 3.354 10 0 EGAERP Cc1cc(N[C@H]2CC[N@H+](C)C(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001331521324 1389782626 /nfs/dbraw/zinc/78/26/26/1389782626.db2.gz UWYZPJRCQRGYCW-SFHVURJKSA-N 2 0 330.520 3.032 10 0 EGAERP Cc1ncc(CN(C)C[C@@H]2CCCC[N@@H+]2Cc2ccccc2)n1C ZINC001331581869 1389813367 /nfs/dbraw/zinc/81/33/67/1389813367.db2.gz VPWHVCZVGMMVGM-IBGZPJMESA-N 2 0 326.488 3.215 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001331940796 1389919091 /nfs/dbraw/zinc/91/90/91/1389919091.db2.gz SFVFQHAPNJKMHI-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001331944887 1389921969 /nfs/dbraw/zinc/92/19/69/1389921969.db2.gz WFPDDVMBXTUMCV-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001332158098 1390011786 /nfs/dbraw/zinc/01/17/86/1390011786.db2.gz KDLQQFLVDROJGZ-UFYCRDLUSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001332162825 1390014504 /nfs/dbraw/zinc/01/45/04/1390014504.db2.gz XTDRWMMVBSHSHL-FBYXPACISA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001332215370 1390046784 /nfs/dbraw/zinc/04/67/84/1390046784.db2.gz AOHRQDHHBKFUNH-OJBOGMDESA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)[C@H]1C ZINC001332219110 1390049851 /nfs/dbraw/zinc/04/98/51/1390049851.db2.gz MRWWUCHKNUVOLQ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001332294653 1390078781 /nfs/dbraw/zinc/07/87/81/1390078781.db2.gz VLBVHQFNQKIVFF-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccccc3CF)CC2)CC1 ZINC001332886245 1390209258 /nfs/dbraw/zinc/20/92/58/1390209258.db2.gz PAYOAXVDVDTWKK-UHFFFAOYSA-N 2 0 333.495 3.006 10 0 EGAERP Cc1ccccc1C[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001332972684 1390227154 /nfs/dbraw/zinc/22/71/54/1390227154.db2.gz QDJYUFOUZXEMIX-GOSISDBHSA-N 2 0 345.531 3.052 10 0 EGAERP COc1ccc2c(c1)C[C@H](C[NH2+][C@H](C)[C@H]1CCC[N@@H+](C3CCC3)C1)O2 ZINC001334049936 1390467234 /nfs/dbraw/zinc/46/72/34/1390467234.db2.gz VKTPEDJBCZEFNP-GQIGUUNPSA-N 2 0 344.499 3.241 10 0 EGAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)C[N@@H+]2C1 ZINC001348360057 1391209710 /nfs/dbraw/zinc/20/97/10/1391209710.db2.gz XTVWLBDNCNISFI-PPAWOBCPSA-N 2 0 347.547 3.020 10 0 EGAERP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC001350006791 1391397563 /nfs/dbraw/zinc/39/75/63/1391397563.db2.gz QIBMSUPKZJAIHX-IBGZPJMESA-N 2 0 327.516 3.498 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1c(F)cccc1F ZINC001351506692 1391646819 /nfs/dbraw/zinc/64/68/19/1391646819.db2.gz DCDVHAQPLXSYTH-PVUWLOKVSA-N 2 0 326.431 3.239 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698829039 1406522202 /nfs/dbraw/zinc/52/22/02/1406522202.db2.gz RCQQKNQHMGKKRY-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001479557021 1392275028 /nfs/dbraw/zinc/27/50/28/1392275028.db2.gz HVARRWIUQKSFJP-HOJAQTOUSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001479600327 1392285222 /nfs/dbraw/zinc/28/52/22/1392285222.db2.gz OYKOHRGGAANCLC-HSALFYBXSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H]1CC)[NH+](C)C ZINC001479642911 1392303436 /nfs/dbraw/zinc/30/34/36/1392303436.db2.gz UPXHXVZAPIQZOD-OTWHNJEPSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001479667105 1392312100 /nfs/dbraw/zinc/31/21/00/1392312100.db2.gz KXFOCQPHNSUJTL-HSALFYBXSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001479687639 1392319746 /nfs/dbraw/zinc/31/97/46/1392319746.db2.gz KNYPKBLJPPDSQT-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479695288 1392326292 /nfs/dbraw/zinc/32/62/92/1392326292.db2.gz VGEDPMBZORGMOD-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001479747586 1392364840 /nfs/dbraw/zinc/36/48/40/1392364840.db2.gz ZLLSNWVJBMLAMT-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CC2(CCC2)C1 ZINC001479778677 1392384056 /nfs/dbraw/zinc/38/40/56/1392384056.db2.gz XDLWFCUSZICVRD-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829695 1392416566 /nfs/dbraw/zinc/41/65/66/1392416566.db2.gz CPQIZUVCHIYRRP-MJGOQNOKSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479831482 1392418018 /nfs/dbraw/zinc/41/80/18/1392418018.db2.gz NEVDDAAEKPTNIH-MSOLQXFVSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001698857700 1406566261 /nfs/dbraw/zinc/56/62/61/1406566261.db2.gz RHNWHEWQRTWRBZ-HKUYNNGSSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CC1CCC(C)CC1)CC2 ZINC001479988467 1392519973 /nfs/dbraw/zinc/51/99/73/1392519973.db2.gz PZBGQNNXAGPWMJ-CTWPCTMYSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480077742 1392567764 /nfs/dbraw/zinc/56/77/64/1392567764.db2.gz PCHYNEQOGSWGJZ-PDTMIUJASA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480122277 1392595303 /nfs/dbraw/zinc/59/53/03/1392595303.db2.gz ZTLXECANAGRIBD-XOUUWWQPSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001480167334 1392607260 /nfs/dbraw/zinc/60/72/60/1392607260.db2.gz MPRFXASJVBKUAM-GUDVDZBRSA-N 2 0 345.531 3.333 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480216038 1392625017 /nfs/dbraw/zinc/62/50/17/1392625017.db2.gz OBPYDVBJLPBAQU-FBLDJFESSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001480261771 1392646165 /nfs/dbraw/zinc/64/61/65/1392646165.db2.gz CORIVACYZNNEAQ-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001480295305 1392663682 /nfs/dbraw/zinc/66/36/82/1392663682.db2.gz ZQQXSTPXDPKDMM-QZTJIDSGSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480350493 1392699640 /nfs/dbraw/zinc/69/96/40/1392699640.db2.gz VJGXJMBYIIFBQE-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001480409737 1392745866 /nfs/dbraw/zinc/74/58/66/1392745866.db2.gz SCYNGCNNDWCYMC-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001480411000 1392746509 /nfs/dbraw/zinc/74/65/09/1392746509.db2.gz DQVKWZVOVOOAKM-VIQWUECVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001480490447 1392767863 /nfs/dbraw/zinc/76/78/63/1392767863.db2.gz GUUASAQDTAPOCO-MRXNPFEDSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001480530378 1392781279 /nfs/dbraw/zinc/78/12/79/1392781279.db2.gz FVUIQJABTINACS-NEPJUHHUSA-N 2 0 346.302 3.100 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)Cc2c[nH]cn2)cc1 ZINC001480552641 1392790059 /nfs/dbraw/zinc/79/00/59/1392790059.db2.gz KZMAOQSNTHYCNG-HZPDHXFCSA-N 2 0 342.487 3.006 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001698873264 1406594691 /nfs/dbraw/zinc/59/46/91/1406594691.db2.gz BTBSJEHXPHSJIW-GOSISDBHSA-N 2 0 339.568 3.275 10 0 EGAERP Cc1ccccc1C[NH2+][C@H]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001480706423 1392869418 /nfs/dbraw/zinc/86/94/18/1392869418.db2.gz DIQROROCEBIBCK-VQTJNVASSA-N 2 0 345.531 3.244 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480733107 1392897576 /nfs/dbraw/zinc/89/75/76/1392897576.db2.gz WYKCSVLPDUJGRR-PXPVJAHISA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480739579 1392905972 /nfs/dbraw/zinc/90/59/72/1392905972.db2.gz PUJYVDAPYMQHLR-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001698874810 1406598362 /nfs/dbraw/zinc/59/83/62/1406598362.db2.gz WPEVGBLLIPSZPY-APWZRJJASA-N 2 0 343.531 3.120 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001480764628 1392920173 /nfs/dbraw/zinc/92/01/73/1392920173.db2.gz OJPJXRBMYATPJN-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480827960 1392966457 /nfs/dbraw/zinc/96/64/57/1392966457.db2.gz JBYHQTLXFJZNTI-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001480833987 1392975193 /nfs/dbraw/zinc/97/51/93/1392975193.db2.gz FXJAYMJYZASQHX-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001481059979 1393109656 /nfs/dbraw/zinc/10/96/56/1393109656.db2.gz XDOSOKRVAAQPRA-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001481173487 1393141633 /nfs/dbraw/zinc/14/16/33/1393141633.db2.gz JUSBCAJEPUTSCC-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001481232214 1393151825 /nfs/dbraw/zinc/15/18/25/1393151825.db2.gz YHHUZUGGQWYIDX-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001481338788 1393167044 /nfs/dbraw/zinc/16/70/44/1393167044.db2.gz DGOMVKYZFYPQHP-ICSRJNTNSA-N 2 0 349.563 3.432 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001698890026 1406622395 /nfs/dbraw/zinc/62/23/95/1406622395.db2.gz ISNUYCOKPVDQAX-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC001481367606 1394207074 /nfs/dbraw/zinc/20/70/74/1394207074.db2.gz WPRJHIINZNIUBY-WOJBJXKFSA-N 2 0 343.515 3.274 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374301 1394215452 /nfs/dbraw/zinc/21/54/52/1394215452.db2.gz LIUHPXCYLMGXQP-WOJBJXKFSA-N 2 0 345.531 3.210 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC001481389883 1394229820 /nfs/dbraw/zinc/22/98/20/1394229820.db2.gz FRZGZSGOOLMTQH-HAGHYFMRSA-N 2 0 349.563 3.218 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481500986 1394347377 /nfs/dbraw/zinc/34/73/77/1394347377.db2.gz VLDAIUGZEJSFAO-SLVIYJBESA-N 2 0 349.563 3.386 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCC3)CC[C@@H]21 ZINC001490981751 1394391940 /nfs/dbraw/zinc/39/19/40/1394391940.db2.gz JTZYAKQJTDBODM-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CCC(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001491080756 1394421494 /nfs/dbraw/zinc/42/14/94/1394421494.db2.gz UJAWDMUROMEGKL-KHSMEXAKSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001491183372 1394461903 /nfs/dbraw/zinc/46/19/03/1394461903.db2.gz DECXVRVJSKMSSJ-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCC[N@@H+]1CC/C=C\c1ccccc1 ZINC001491223838 1394481435 /nfs/dbraw/zinc/48/14/35/1394481435.db2.gz FELVIQCFHKPTSB-LHZAFZKQSA-N 2 0 343.515 3.012 10 0 EGAERP CC[C@@H]([NH2+]C1CCC(NC(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001491360793 1394512018 /nfs/dbraw/zinc/51/20/18/1394512018.db2.gz KLFSUQVDVSGEHT-CTWPCTMYSA-N 2 0 331.504 3.106 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481883211 1394577266 /nfs/dbraw/zinc/57/72/66/1394577266.db2.gz WYSGFEXMUYREAX-UXHICEINSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001481899956 1394586306 /nfs/dbraw/zinc/58/63/06/1394586306.db2.gz KCVKEUAQBLMVDR-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001481981731 1394643102 /nfs/dbraw/zinc/64/31/02/1394643102.db2.gz WQDIJNVDTVLDFK-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)C1 ZINC001482002303 1394661258 /nfs/dbraw/zinc/66/12/58/1394661258.db2.gz GFAPCCGRVNCKDW-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001482246350 1394843844 /nfs/dbraw/zinc/84/38/44/1394843844.db2.gz JBNCWJGQKVPNOW-ARJAWSKDSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001482304772 1394878752 /nfs/dbraw/zinc/87/87/52/1394878752.db2.gz SDGJNFUQJSYXKZ-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001482370420 1394933141 /nfs/dbraw/zinc/93/31/41/1394933141.db2.gz WQXZDQFYMUQHQT-PKOBYXMFSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482398469 1394960087 /nfs/dbraw/zinc/96/00/87/1394960087.db2.gz NPRCUQZTWCLENC-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482406707 1394970233 /nfs/dbraw/zinc/97/02/33/1394970233.db2.gz SZDFZZIGGCUKML-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)C[C@H]2C)cc1 ZINC001482427879 1394988850 /nfs/dbraw/zinc/98/88/50/1394988850.db2.gz DRTYPBAJSFFBGO-YLJYHZDGSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)c1 ZINC001482455192 1395013625 /nfs/dbraw/zinc/01/36/25/1395013625.db2.gz LFGRUULBMCOZJG-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001482497547 1395049425 /nfs/dbraw/zinc/04/94/25/1395049425.db2.gz HEITUKVXUUEQLU-BGEOSOQGSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001482540974 1395079461 /nfs/dbraw/zinc/07/94/61/1395079461.db2.gz XCWDAURSGDWSMQ-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001483929307 1395148733 /nfs/dbraw/zinc/14/87/33/1395148733.db2.gz JLAZMTIVMOAHDH-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483959207 1395163267 /nfs/dbraw/zinc/16/32/67/1395163267.db2.gz OAYKWHPJRLUCNB-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001484001726 1395179133 /nfs/dbraw/zinc/17/91/33/1395179133.db2.gz RXOVCLPUWGFVFC-RBUKOAKNSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001698975797 1406744555 /nfs/dbraw/zinc/74/45/55/1406744555.db2.gz PQDYLRGVMHYHPT-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001484161504 1395296363 /nfs/dbraw/zinc/29/63/63/1395296363.db2.gz WTHJDAYIGCAJGH-DUIUGDAFSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484393271 1395364669 /nfs/dbraw/zinc/36/46/69/1395364669.db2.gz SMDCWLIXBKHHLS-FHWLQOOXSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@H+](CCC(C)(C)C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C ZINC001484556068 1395436104 /nfs/dbraw/zinc/43/61/04/1395436104.db2.gz ITLNUUBFKLGMQN-LJQANCHMSA-N 2 0 345.531 3.265 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001484716472 1395477037 /nfs/dbraw/zinc/47/70/37/1395477037.db2.gz KPLVBCWPYYUWHT-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001484720557 1395483605 /nfs/dbraw/zinc/48/36/05/1395483605.db2.gz QNTPHIHVJYMOHY-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1=CCCCC1 ZINC001484744141 1395499663 /nfs/dbraw/zinc/49/96/63/1395499663.db2.gz LVVCQNACCWDJBH-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001485155779 1395672199 /nfs/dbraw/zinc/67/21/99/1395672199.db2.gz LFYFHFYPGBTSTP-HOTGVXAUSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CC1CCCC1 ZINC001485230101 1395724313 /nfs/dbraw/zinc/72/43/13/1395724313.db2.gz PXBPOKZOUIOGCV-JKSUJKDBSA-N 2 0 331.504 3.035 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485240529 1395733830 /nfs/dbraw/zinc/73/38/30/1395733830.db2.gz FYOBRVWUTBUOKG-KOYBPFKWSA-N 2 0 335.536 3.044 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001698991930 1406783849 /nfs/dbraw/zinc/78/38/49/1406783849.db2.gz XIKZOUZNJOVKRQ-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001485427199 1395893086 /nfs/dbraw/zinc/89/30/86/1395893086.db2.gz ADEHBJJNQRVXJT-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001485736383 1396123729 /nfs/dbraw/zinc/12/37/29/1396123729.db2.gz OYFNKEGPVROCKD-HZPDHXFCSA-N 2 0 349.494 3.103 10 0 EGAERP CCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1(C)C ZINC001486236013 1396186100 /nfs/dbraw/zinc/18/61/00/1396186100.db2.gz KVWDLLVXBKKSFA-QGZVFWFLSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001492129633 1396306465 /nfs/dbraw/zinc/30/64/65/1396306465.db2.gz ROZZHMFEHMFICN-ICSRJNTNSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001492144341 1396308944 /nfs/dbraw/zinc/30/89/44/1396308944.db2.gz VUVWRQVTJLRCBG-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(NCCC[C@H]1CCC[N@@H+]1CC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001492156613 1396309333 /nfs/dbraw/zinc/30/93/33/1396309333.db2.gz HTJPYIJXXDHMRP-AZUAARDMSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001492163942 1396310480 /nfs/dbraw/zinc/31/04/80/1396310480.db2.gz NNYKYQYAZSQJHV-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CN(CC(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1)Cc1ccccc1 ZINC001494876373 1396504604 /nfs/dbraw/zinc/50/46/04/1396504604.db2.gz NSELIYLPZHHYTN-LJQANCHMSA-N 2 0 345.531 3.087 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]CC1=CCCCC1 ZINC001495751565 1396556042 /nfs/dbraw/zinc/55/60/42/1396556042.db2.gz CXELRKAREUHMIZ-ZWKOTPCHSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001495817291 1396563784 /nfs/dbraw/zinc/56/37/84/1396563784.db2.gz YBTNLTWYKALCFH-HUUCEWRRSA-N 2 0 339.911 3.083 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001496180357 1396620333 /nfs/dbraw/zinc/62/03/33/1396620333.db2.gz YQGPSGJNMAPIPX-IEBWSBKVSA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496415915 1396699522 /nfs/dbraw/zinc/69/95/22/1396699522.db2.gz REAGWVOQFQHVNC-OAOPFVHKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)CCC1CCCCCC1 ZINC001699011348 1406842414 /nfs/dbraw/zinc/84/24/14/1406842414.db2.gz WLWBZAXCQXADEB-UHFFFAOYSA-N 2 0 325.541 3.077 10 0 EGAERP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001497407816 1396756883 /nfs/dbraw/zinc/75/68/83/1396756883.db2.gz ONVCGTNCTZFTBJ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC=C(C)C)[NH+](CC)CC ZINC001689099943 1396907992 /nfs/dbraw/zinc/90/79/92/1396907992.db2.gz LCSWJQJVXHHSCB-QYZOEREBSA-N 2 0 337.552 3.290 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CCC(C)(C)C ZINC001689176986 1396959632 /nfs/dbraw/zinc/95/96/32/1396959632.db2.gz SROFAEYWVGMPHE-OKZBNKHCSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H]1CC ZINC001689193871 1396968062 /nfs/dbraw/zinc/96/80/62/1396968062.db2.gz HZRCNAGRDHPZSL-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)CC[NH+](C)C ZINC001498375227 1396979307 /nfs/dbraw/zinc/97/93/07/1396979307.db2.gz KRHWRDBVATZELC-AOCRQIFASA-N 2 0 339.568 3.227 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC(C(C)(C)C)CC1)NC(=O)CC[NH+](C)C ZINC001498375228 1396979530 /nfs/dbraw/zinc/97/95/30/1396979530.db2.gz KRHWRDBVATZELC-WWDZGPRUSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498483473 1397028893 /nfs/dbraw/zinc/02/88/93/1397028893.db2.gz DOAYSBVXCZLTIM-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498483470 1397029036 /nfs/dbraw/zinc/02/90/36/1397029036.db2.gz DOAYSBVXCZLTIM-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](F)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365349 1403705241 /nfs/dbraw/zinc/70/52/41/1403705241.db2.gz DJWSSNISXSUQPT-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC(C)C)CC(C)(C)C1 ZINC001689365994 1403707988 /nfs/dbraw/zinc/70/79/88/1403707988.db2.gz SUJGQDNOIFMYNE-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1cccc(C)c1 ZINC001689970690 1404235089 /nfs/dbraw/zinc/23/50/89/1404235089.db2.gz YDOQOUYFCGJHMQ-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123094 1404317379 /nfs/dbraw/zinc/31/73/79/1404317379.db2.gz IPEXCDCVOLQSMC-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]([NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001690162903 1404360877 /nfs/dbraw/zinc/36/08/77/1404360877.db2.gz RELVSILRTHEDGL-APWZRJJASA-N 2 0 343.515 3.106 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001690187895 1404388801 /nfs/dbraw/zinc/38/88/01/1404388801.db2.gz CARUEQBJVMNBAY-XOUUWWQPSA-N 2 0 349.563 3.386 10 0 EGAERP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001690291837 1404452622 /nfs/dbraw/zinc/45/26/22/1404452622.db2.gz BXGUTURSKFNUJN-UAFMIMERSA-N 2 0 347.547 3.211 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690354856 1404489168 /nfs/dbraw/zinc/48/91/68/1404489168.db2.gz DYDJXLUMLRSFOF-BMFAXAFESA-N 2 0 335.536 3.066 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690383376 1404515692 /nfs/dbraw/zinc/51/56/92/1404515692.db2.gz NMNVQQOTXAPJNL-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001690384956 1404516611 /nfs/dbraw/zinc/51/66/11/1404516611.db2.gz FHZOVMLVNKMXKC-SBUVDCAVSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001690394347 1404536948 /nfs/dbraw/zinc/53/69/48/1404536948.db2.gz XVSVEWOFWUMRDH-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[N@H+]1CCCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001690450193 1404574934 /nfs/dbraw/zinc/57/49/34/1404574934.db2.gz BTPYIOCRGOEXBW-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499504 1404611682 /nfs/dbraw/zinc/61/16/82/1404611682.db2.gz WGQOVFFGMBPRNY-FUHWJXTLSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001690616945 1404654909 /nfs/dbraw/zinc/65/49/09/1404654909.db2.gz SPHSRYWFRQDGLR-RYRKJORJSA-N 2 0 337.552 3.027 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001690628825 1404663914 /nfs/dbraw/zinc/66/39/14/1404663914.db2.gz WDHFWJXOJUBGPC-QZTJIDSGSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001690650713 1404681843 /nfs/dbraw/zinc/68/18/43/1404681843.db2.gz PZSMVIGUYBYGJS-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001690709233 1404694920 /nfs/dbraw/zinc/69/49/20/1404694920.db2.gz CYPVXSFGBFXWHP-OAHLLOKOSA-N 2 0 337.533 3.052 10 0 EGAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001690811431 1404748378 /nfs/dbraw/zinc/74/83/78/1404748378.db2.gz REBIQZAVIQWDSY-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690823380 1404759867 /nfs/dbraw/zinc/75/98/67/1404759867.db2.gz XGTLQJFUUVJHDX-IEBWSBKVSA-N 2 0 337.552 3.076 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCCC2)C1 ZINC001690917715 1404828116 /nfs/dbraw/zinc/82/81/16/1404828116.db2.gz PJLPIYRKHJYGAN-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CCC(C)(C)C ZINC001690941849 1404848272 /nfs/dbraw/zinc/84/82/72/1404848272.db2.gz NOSOILNFHIVLRG-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)CCC2CCCCC2)CC1 ZINC001690986050 1404901120 /nfs/dbraw/zinc/90/11/20/1404901120.db2.gz DKFAOWAOGUYTGJ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+](CC)CC ZINC001691097445 1405034209 /nfs/dbraw/zinc/03/42/09/1405034209.db2.gz LUJRSJBNKUJAJK-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001691120099 1405061976 /nfs/dbraw/zinc/06/19/76/1405061976.db2.gz ISZFIYMNYXAYAC-BGYRXZFFSA-N 2 0 347.547 3.093 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2C[C@H](CNC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001691184499 1405122304 /nfs/dbraw/zinc/12/23/04/1405122304.db2.gz NVEJNWOMQNHRBN-UAPYVXQJSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001691402302 1405239018 /nfs/dbraw/zinc/23/90/18/1405239018.db2.gz JINFZPAQXXDGKZ-VQTJNVASSA-N 2 0 345.531 3.148 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccccc1C(C)C ZINC001691496008 1405303305 /nfs/dbraw/zinc/30/33/05/1405303305.db2.gz HDLILDLULZFFMJ-VQTJNVASSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001691691751 1405426498 /nfs/dbraw/zinc/42/64/98/1405426498.db2.gz DNRLBUPQXCNWAR-FXAWDEMLSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001691705002 1405434616 /nfs/dbraw/zinc/43/46/16/1405434616.db2.gz AQYHPOAYLCWJKP-SCTDSRPQSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773450 1405484896 /nfs/dbraw/zinc/48/48/96/1405484896.db2.gz YNTBLWNNBSZXAP-FXAWDEMLSA-N 2 0 345.531 3.309 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[N@H+](C)CCCC2CCC2)CC1 ZINC001691789724 1405498860 /nfs/dbraw/zinc/49/88/60/1405498860.db2.gz ADDQSQHHJRSKLF-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691813119 1405525927 /nfs/dbraw/zinc/52/59/27/1405525927.db2.gz HFTMADSOFLFTCV-XSAZBNQGSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001691917622 1405646748 /nfs/dbraw/zinc/64/67/48/1405646748.db2.gz KINRTRFYEBVYRF-DLBZAZTESA-N 2 0 339.568 3.275 10 0 EGAERP C[C@H]1CC2(CN1C(=O)CC[NH+](C)C)CC[NH+](CCC(C)(C)C)CC2 ZINC001691960354 1405677516 /nfs/dbraw/zinc/67/75/16/1405677516.db2.gz PIIRKDSWENRDFP-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001691999656 1405716284 /nfs/dbraw/zinc/71/62/84/1405716284.db2.gz VIADXIJVCPLAAY-RTBURBONSA-N 2 0 345.531 3.177 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001692006016 1405723078 /nfs/dbraw/zinc/72/30/78/1405723078.db2.gz WSTDNHFHKRPLAD-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1C[N@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001692280207 1405914961 /nfs/dbraw/zinc/91/49/61/1405914961.db2.gz RECSIAHMUNGGNO-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP CC1CCC(C[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCCC3)C2)CC1 ZINC001692308228 1405928295 /nfs/dbraw/zinc/92/82/95/1405928295.db2.gz QUAHGAFNTGHYDT-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001692335961 1405956705 /nfs/dbraw/zinc/95/67/05/1405956705.db2.gz BZNAOUSXBYYZNP-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001732021089 1428238442 /nfs/dbraw/zinc/23/84/42/1428238442.db2.gz AYGHVTCVWNSWNP-HKUYNNGSSA-N 2 0 345.531 3.354 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001732053360 1428294653 /nfs/dbraw/zinc/29/46/53/1428294653.db2.gz GARYNLYDMNGFRS-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001732053354 1428295282 /nfs/dbraw/zinc/29/52/82/1428295282.db2.gz GARYNLYDMNGFRS-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732058671 1428305034 /nfs/dbraw/zinc/30/50/34/1428305034.db2.gz IMSHQMLTGNLHHI-UEKDZROGSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001732088451 1428351363 /nfs/dbraw/zinc/35/13/63/1428351363.db2.gz LZBXTZQKVLDWRR-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732175457 1428421366 /nfs/dbraw/zinc/42/13/66/1428421366.db2.gz YMUDPDJDDWQLPF-HXUWFJFHSA-N 2 0 345.531 3.475 10 0 EGAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001732218131 1428466069 /nfs/dbraw/zinc/46/60/69/1428466069.db2.gz SPMKNQLRKHDRLN-MJGOQNOKSA-N 2 0 345.531 3.136 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001732230221 1428477416 /nfs/dbraw/zinc/47/74/16/1428477416.db2.gz CPSYAPNHERTLSC-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)CCCC1 ZINC001732235968 1428482128 /nfs/dbraw/zinc/48/21/28/1428482128.db2.gz LDESDGDSXIBOOS-LJQANCHMSA-N 2 0 341.515 3.018 10 0 EGAERP Cc1c(C(=O)N2CCC[C@H](CC[NH2+]CC(C)C)C2)ccc2c[nH+]cn21 ZINC001732275289 1428509602 /nfs/dbraw/zinc/50/96/02/1428509602.db2.gz PRKFSCRYITVUCY-QGZVFWFLSA-N 2 0 342.487 3.131 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001732294147 1428517509 /nfs/dbraw/zinc/51/75/09/1428517509.db2.gz IZOWOFXQKYNXQT-AATRIKPKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CC1=CCCCC1 ZINC001732372009 1428553088 /nfs/dbraw/zinc/55/30/88/1428553088.db2.gz KRLSAPCLWNSARN-KRWDZBQOSA-N 2 0 343.515 3.204 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732392629 1428561545 /nfs/dbraw/zinc/56/15/45/1428561545.db2.gz NHSNAPDHXLVDNX-LJQANCHMSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CCCC1 ZINC001732395340 1428563015 /nfs/dbraw/zinc/56/30/15/1428563015.db2.gz NOKCWKUZLVUKNV-LJQANCHMSA-N 2 0 343.515 3.034 10 0 EGAERP CCc1ccccc1C[NH2+]C1(CNC(=O)C[N@H+](C)C(C)C)CCCC1 ZINC001732400607 1428566610 /nfs/dbraw/zinc/56/66/10/1428566610.db2.gz VHJSXCHLJQSYER-UHFFFAOYSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732436261 1428580051 /nfs/dbraw/zinc/58/00/51/1428580051.db2.gz GYPJJHFJHCUXCA-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001699192804 1412564338 /nfs/dbraw/zinc/56/43/38/1412564338.db2.gz MSGRTINQFMHCNZ-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699417102 1412731494 /nfs/dbraw/zinc/73/14/94/1412731494.db2.gz XYIHGIPKILHXLX-QFBILLFUSA-N 2 0 337.552 3.314 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001699421414 1412736058 /nfs/dbraw/zinc/73/60/58/1412736058.db2.gz KOQORVPKABIUDS-ZWKOTPCHSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001699451061 1412790718 /nfs/dbraw/zinc/79/07/18/1412790718.db2.gz OGLSONFBJWXVTA-MRXNPFEDSA-N 2 0 325.541 3.122 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CC2CC(C)(C)C2)CC1 ZINC001699483012 1412878192 /nfs/dbraw/zinc/87/81/92/1412878192.db2.gz NBTKUWUWZFGREW-ROUUACIJSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001699483736 1412878857 /nfs/dbraw/zinc/87/88/57/1412878857.db2.gz OIMVJAPSGRWXKW-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001699607340 1412971131 /nfs/dbraw/zinc/97/11/31/1412971131.db2.gz QVEKTFZPZOVBSX-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC(C)C ZINC001699610851 1412975029 /nfs/dbraw/zinc/97/50/29/1412975029.db2.gz UJTPYROLLAPIBG-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CCC3CCCCC3)CC2)CC1 ZINC001699667159 1413053874 /nfs/dbraw/zinc/05/38/74/1413053874.db2.gz GJSBMECNVDHWMT-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001699671054 1413060800 /nfs/dbraw/zinc/06/08/00/1413060800.db2.gz BWJJSQSIXSVTST-VQIMIIECSA-N 2 0 343.515 3.061 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CC1=CCCCC1)C2 ZINC001699697930 1413108470 /nfs/dbraw/zinc/10/84/70/1413108470.db2.gz VRKOMPJODJJKQS-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001699703671 1413119117 /nfs/dbraw/zinc/11/91/17/1413119117.db2.gz MCPZRUMPLOERPL-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699744468 1413155150 /nfs/dbraw/zinc/15/51/50/1413155150.db2.gz VROZEGAUWINOAI-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001699773029 1413180914 /nfs/dbraw/zinc/18/09/14/1413180914.db2.gz DKZGMUVRADFJKS-OJBOGMDESA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001699788166 1413193865 /nfs/dbraw/zinc/19/38/65/1413193865.db2.gz BHGATVNQHITNIX-PMACEKPBSA-N 2 0 339.483 3.089 10 0 EGAERP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001699805150 1413218208 /nfs/dbraw/zinc/21/82/08/1413218208.db2.gz MTBSMKHXTRAINC-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001699806891 1413221518 /nfs/dbraw/zinc/22/15/18/1413221518.db2.gz VNOQXFGWUSJWTP-ICSRJNTNSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2=CCCCC2)C1)[NH+](C)C ZINC001699875701 1413331766 /nfs/dbraw/zinc/33/17/66/1413331766.db2.gz XDKAXRYWGGVOMO-ICSRJNTNSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@]1(C)CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001699877064 1413337376 /nfs/dbraw/zinc/33/73/76/1413337376.db2.gz PKWHCNROGFPQST-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001699976294 1413418440 /nfs/dbraw/zinc/41/84/40/1413418440.db2.gz USMCEHGLEWHPOQ-JYCJSOQVSA-N 2 0 347.547 3.042 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001699978364 1413422600 /nfs/dbraw/zinc/42/26/00/1413422600.db2.gz ASIOXUCBLTXTHZ-WGSAOQKQSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001700017009 1413462873 /nfs/dbraw/zinc/46/28/73/1413462873.db2.gz LYNNCJKIHVBFOA-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001700068762 1413483907 /nfs/dbraw/zinc/48/39/07/1413483907.db2.gz YDLBIPVRBIYGSG-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001700099807 1413516754 /nfs/dbraw/zinc/51/67/54/1413516754.db2.gz QFAALWFCYHHCSV-ZARSWLQMSA-N 2 0 343.515 3.261 10 0 EGAERP Cc1cc(C[NH2+]C2(CNC(=O)CC[C@@H]3CCC[N@H+]3C)CCC2)cs1 ZINC001700155000 1413569919 /nfs/dbraw/zinc/56/99/19/1413569919.db2.gz LPHOKHFQFUFUQU-KRWDZBQOSA-N 2 0 349.544 3.059 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)C ZINC001732560896 1428751156 /nfs/dbraw/zinc/75/11/56/1428751156.db2.gz NSVPJMNETSRZHO-GOSISDBHSA-N 2 0 337.552 3.336 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001732562476 1428753135 /nfs/dbraw/zinc/75/31/35/1428753135.db2.gz CLHLCNGSRZERHB-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001700323955 1413792094 /nfs/dbraw/zinc/79/20/94/1413792094.db2.gz PMMQHITUBQQSHP-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)[C@H](C)C1 ZINC001700323661 1413792186 /nfs/dbraw/zinc/79/21/86/1413792186.db2.gz JXOLCAQVEZCGCB-IAGOWNOFSA-N 2 0 325.541 3.122 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700419946 1413968877 /nfs/dbraw/zinc/96/88/77/1413968877.db2.gz AYVAKPQRQNLPLC-RTBURBONSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001700434432 1414000271 /nfs/dbraw/zinc/00/02/71/1414000271.db2.gz IIOCRDZGBCRSJF-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)CC1CCCC1 ZINC001700464123 1414066392 /nfs/dbraw/zinc/06/63/92/1414066392.db2.gz PPSBXWNJTOJGGZ-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[N@H+](C)Cc1ccsc1 ZINC001700486072 1414131911 /nfs/dbraw/zinc/13/19/11/1414131911.db2.gz BUKJYWXMLQQAHG-HNNXBMFYSA-N 2 0 345.512 3.060 10 0 EGAERP CC[C@@H](F)C[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCCC1 ZINC001700513876 1414164481 /nfs/dbraw/zinc/16/44/81/1414164481.db2.gz IXHWDUZISOBBGV-MRXNPFEDSA-N 2 0 343.531 3.121 10 0 EGAERP O=C(NC1(C[NH2+]CCC2CC2)CCCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001700514910 1414165689 /nfs/dbraw/zinc/16/56/89/1414165689.db2.gz ZGPGTHFVQVARFJ-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700521562 1414177262 /nfs/dbraw/zinc/17/72/62/1414177262.db2.gz PPPAVACESSHUOD-HDICACEKSA-N 2 0 349.563 3.458 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001700526422 1414188792 /nfs/dbraw/zinc/18/87/92/1414188792.db2.gz KYIDQDIBRBTGNS-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001700531888 1414199288 /nfs/dbraw/zinc/19/92/88/1414199288.db2.gz QTHJBSXLCHIJPE-WOJBJXKFSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001700548831 1414218250 /nfs/dbraw/zinc/21/82/50/1414218250.db2.gz DLEQKALVHGKEAD-SUVIQUNHSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001700549560 1414218787 /nfs/dbraw/zinc/21/87/87/1414218787.db2.gz JHVKYGDACPSNFK-XBMUEBEBSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CC3CCCCCC3)CC2(C)C)CCC1 ZINC001700566166 1414234228 /nfs/dbraw/zinc/23/42/28/1414234228.db2.gz BOEHGZHMUAXMNU-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001700638020 1414304664 /nfs/dbraw/zinc/30/46/64/1414304664.db2.gz HUOSZFCMBSCKGL-SAABIXHNSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001700684852 1414337921 /nfs/dbraw/zinc/33/79/21/1414337921.db2.gz SZQCYVJSLQZMAE-HOTGVXAUSA-N 2 0 349.494 3.246 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688330 1414340862 /nfs/dbraw/zinc/34/08/62/1414340862.db2.gz DLACNKSADAVWGD-IEBWSBKVSA-N 2 0 335.536 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700750326 1414419586 /nfs/dbraw/zinc/41/95/86/1414419586.db2.gz AXKAXWKSHQWKBD-TYLQSNEBSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700750325 1414419667 /nfs/dbraw/zinc/41/96/67/1414419667.db2.gz AXKAXWKSHQWKBD-MRDYICJFSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001700754747 1414424894 /nfs/dbraw/zinc/42/48/94/1414424894.db2.gz ZDQUOMQBYZUNIZ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001700755339 1414425735 /nfs/dbraw/zinc/42/57/35/1414425735.db2.gz KEZZJGQRJGUJEY-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700780977 1414463119 /nfs/dbraw/zinc/46/31/19/1414463119.db2.gz QJOJZSSYRZZYJT-ORNUUZEQSA-N 2 0 343.515 3.011 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001700872556 1414525963 /nfs/dbraw/zinc/52/59/63/1414525963.db2.gz GFACNGIHSNIWMD-HSALFYBXSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001700922221 1414574260 /nfs/dbraw/zinc/57/42/60/1414574260.db2.gz UVTYZKSPAUZVNA-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccc(C)cc2)C(C)(C)C1 ZINC001700945589 1414585921 /nfs/dbraw/zinc/58/59/21/1414585921.db2.gz JTVSVSKXMBOBJN-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2ccccc2C)C(C)(C)C1 ZINC001700949005 1414587070 /nfs/dbraw/zinc/58/70/70/1414587070.db2.gz YCMXGADWMWPSTA-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001700974904 1414608132 /nfs/dbraw/zinc/60/81/32/1414608132.db2.gz FVTKNBOOFALAFZ-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001701007271 1414663625 /nfs/dbraw/zinc/66/36/25/1414663625.db2.gz VHYBPIQEFFYPQI-HMTUNPETSA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001701007936 1414665485 /nfs/dbraw/zinc/66/54/85/1414665485.db2.gz RYWUWRQXSPVFNL-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CC3CC(C)(C)C3)CC2)CC1)[NH+](C)C ZINC001701029112 1414690284 /nfs/dbraw/zinc/69/02/84/1414690284.db2.gz AFVLILNPLWGZLQ-SFHVURJKSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732718202 1428925231 /nfs/dbraw/zinc/92/52/31/1428925231.db2.gz CRQJUDJNKBBUQY-AOIWGVFYSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(CC)CC[NH2+]CC1CCC(C)CC1 ZINC001732774779 1428962010 /nfs/dbraw/zinc/96/20/10/1428962010.db2.gz FEAMMXXPUMPXIA-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1 ZINC001733018094 1429137124 /nfs/dbraw/zinc/13/71/24/1429137124.db2.gz WERUAMHSIHDVIG-SFHVURJKSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001733037529 1429163866 /nfs/dbraw/zinc/16/38/66/1429163866.db2.gz IVNNWILMGUUDKF-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001707113044 1417206086 /nfs/dbraw/zinc/20/60/86/1417206086.db2.gz JFYPCDWBXDTXBC-RBUKOAKNSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001707195658 1417240076 /nfs/dbraw/zinc/24/00/76/1417240076.db2.gz ABLCLDGRQPWDEE-RBUKOAKNSA-N 2 0 349.563 3.409 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1F ZINC001707376632 1417301011 /nfs/dbraw/zinc/30/10/11/1417301011.db2.gz CWQQRPXXIDYKCT-APWZRJJASA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001707376463 1417301391 /nfs/dbraw/zinc/30/13/91/1417301391.db2.gz ABCVEEOKICKQQY-IEBWSBKVSA-N 2 0 331.504 3.059 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCCC1CCCC1 ZINC001707407030 1417319428 /nfs/dbraw/zinc/31/94/28/1417319428.db2.gz MMHHYFQYDZFXLW-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001707440391 1417344320 /nfs/dbraw/zinc/34/43/20/1417344320.db2.gz VARUAIOZXDHSRX-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707447305 1417350994 /nfs/dbraw/zinc/35/09/94/1417350994.db2.gz QJCNXKXTKRAAKS-CQQBRXBZSA-N 2 0 347.547 3.188 10 0 EGAERP CCCC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001707484158 1417378744 /nfs/dbraw/zinc/37/87/44/1417378744.db2.gz LONFYJBRXTWNPZ-UHFFFAOYSA-N 2 0 328.460 3.027 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733047832 1429181971 /nfs/dbraw/zinc/18/19/71/1429181971.db2.gz GQEKEZGHEBFAPV-LXPRWKDFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001713098583 1417648901 /nfs/dbraw/zinc/64/89/01/1417648901.db2.gz QYSZMKBYWBOGHP-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001713196148 1417767419 /nfs/dbraw/zinc/76/74/19/1417767419.db2.gz NYCVUWIHBMFBEC-AKHDSKFASA-N 2 0 337.552 3.026 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1cccc(F)c1 ZINC001713201003 1417771390 /nfs/dbraw/zinc/77/13/90/1417771390.db2.gz GGPDPQFBLPUCAK-JCGIZDLHSA-N 2 0 349.494 3.101 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001713253950 1417849617 /nfs/dbraw/zinc/84/96/17/1417849617.db2.gz WNFGTANWUHEUDX-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001713331233 1417955101 /nfs/dbraw/zinc/95/51/01/1417955101.db2.gz JPEKAAJKRPOKLX-PXNSSMCTSA-N 2 0 343.515 3.078 10 0 EGAERP C[C@H](C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001713356588 1417973460 /nfs/dbraw/zinc/97/34/60/1417973460.db2.gz GWXSSWOBFWEOPK-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C\Cl ZINC001713415031 1418038407 /nfs/dbraw/zinc/03/84/07/1418038407.db2.gz UCKNAIVSHVOQCN-JMVVGZTDSA-N 2 0 341.927 3.020 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001713416345 1418040234 /nfs/dbraw/zinc/04/02/34/1418040234.db2.gz NHFAOYMZUYJYSY-MSOLQXFVSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCCCC1 ZINC001713419216 1418043293 /nfs/dbraw/zinc/04/32/93/1418043293.db2.gz WMMUGSVCKIQMNB-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733079628 1429233520 /nfs/dbraw/zinc/23/35/20/1429233520.db2.gz OCALNVOPYVFNIF-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733079630 1429233529 /nfs/dbraw/zinc/23/35/29/1429233529.db2.gz OCALNVOPYVFNIF-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](C)Cc1ccc(C(C)C)cc1 ZINC001713454103 1418102565 /nfs/dbraw/zinc/10/25/65/1418102565.db2.gz AKWMZRHXXJHCCT-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713508081 1418232210 /nfs/dbraw/zinc/23/22/10/1418232210.db2.gz BRYHLPLKNFJBCT-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001713518595 1418258050 /nfs/dbraw/zinc/25/80/50/1418258050.db2.gz ZKRORGOGLQULCC-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CCC(C)(C)C ZINC001713546608 1418317804 /nfs/dbraw/zinc/31/78/04/1418317804.db2.gz RRACNYFBINUJSY-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001713618044 1418395607 /nfs/dbraw/zinc/39/56/07/1418395607.db2.gz KNTORJIEZPTUKN-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001713664909 1418421933 /nfs/dbraw/zinc/42/19/33/1418421933.db2.gz LLVRIAYMGAKGGV-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001713717517 1418484235 /nfs/dbraw/zinc/48/42/35/1418484235.db2.gz MUYYHDDVOQMQJZ-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713756201 1418560000 /nfs/dbraw/zinc/56/00/00/1418560000.db2.gz PZJPGEYBIQDNOL-SFHVURJKSA-N 2 0 339.568 3.181 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC[NH+](CCCC(C)C)CC1 ZINC001713779974 1418596256 /nfs/dbraw/zinc/59/62/56/1418596256.db2.gz RTPDWMIHIALFNV-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001713849219 1418645112 /nfs/dbraw/zinc/64/51/12/1418645112.db2.gz FCCFDQMIIBOYFX-SFFCAUCYSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713868811 1418665927 /nfs/dbraw/zinc/66/59/27/1418665927.db2.gz UXWXNNZDPPRPSQ-MOPGFXCFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713896138 1418693767 /nfs/dbraw/zinc/69/37/67/1418693767.db2.gz AZVNZBWLEZOTOT-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[NH+]1CC(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713901478 1418701482 /nfs/dbraw/zinc/70/14/82/1418701482.db2.gz PNNPVYJBQQLDCZ-VOTSOKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713906923 1418703922 /nfs/dbraw/zinc/70/39/22/1418703922.db2.gz KRMUNYQTFQUCAF-QCUQMOABSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713951067 1418735009 /nfs/dbraw/zinc/73/50/09/1418735009.db2.gz OCJNJOMEVKOZNL-LNLFQRSKSA-N 2 0 349.563 3.457 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)cc1 ZINC001713989381 1418766783 /nfs/dbraw/zinc/76/67/83/1418766783.db2.gz UGNMGWOJJMEWMZ-KDURUIRLSA-N 2 0 343.515 3.031 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001714049478 1418846896 /nfs/dbraw/zinc/84/68/96/1418846896.db2.gz WPXMDOHVHPRJKZ-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001714107559 1418907011 /nfs/dbraw/zinc/90/70/11/1418907011.db2.gz RSVQQCPSIMUUFG-UYAOXDASSA-N 2 0 345.531 3.244 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714114559 1418916539 /nfs/dbraw/zinc/91/65/39/1418916539.db2.gz HUQVYNXPOBSGEK-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001714116513 1418919333 /nfs/dbraw/zinc/91/93/33/1418919333.db2.gz NMYFUQOXCDDBNC-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CCc1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714118537 1418923085 /nfs/dbraw/zinc/92/30/85/1418923085.db2.gz ULWXFSSQMIJXID-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccc2ccccc21 ZINC001714125288 1418929823 /nfs/dbraw/zinc/92/98/23/1418929823.db2.gz SVJVIKOSMAEXKP-IBGZPJMESA-N 2 0 341.499 3.164 10 0 EGAERP O=C(N1CCCC[C@H]1C[NH2+]CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001714129658 1418933473 /nfs/dbraw/zinc/93/34/73/1418933473.db2.gz AJDTYXQWAPKWAB-IBGZPJMESA-N 2 0 347.547 3.166 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001714191505 1418998081 /nfs/dbraw/zinc/99/80/81/1418998081.db2.gz OXTORFFBMJERIC-UHFFFAOYSA-N 2 0 345.531 3.221 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001733198352 1429300897 /nfs/dbraw/zinc/30/08/97/1429300897.db2.gz KJWUNFDOHBUTOD-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001714251243 1419036609 /nfs/dbraw/zinc/03/66/09/1419036609.db2.gz WGFXAPVTLAZYBV-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001714301652 1419081980 /nfs/dbraw/zinc/08/19/80/1419081980.db2.gz CYWGCBFRBJNDHQ-QAQDUYKDSA-N 2 0 342.487 3.464 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001714313215 1419094156 /nfs/dbraw/zinc/09/41/56/1419094156.db2.gz RLSYGHQKENAORX-WGSAOQKQSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001714328129 1419107407 /nfs/dbraw/zinc/10/74/07/1419107407.db2.gz VDMBUEACZDKGOD-ARJAWSKDSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714447625 1419179794 /nfs/dbraw/zinc/17/97/94/1419179794.db2.gz HWTBPNGKYYIUCG-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001714519566 1419245603 /nfs/dbraw/zinc/24/56/03/1419245603.db2.gz SHEQQWJQODRWMS-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714522094 1419248194 /nfs/dbraw/zinc/24/81/94/1419248194.db2.gz KMWBTACFPOMLEF-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001714613450 1419373471 /nfs/dbraw/zinc/37/34/71/1419373471.db2.gz NZOCWIAGGNPIBW-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714636465 1419407475 /nfs/dbraw/zinc/40/74/75/1419407475.db2.gz TVXUZUGGLPBMLC-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)CC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001714789321 1419509569 /nfs/dbraw/zinc/50/95/69/1419509569.db2.gz ZJDOONWGYQXCSN-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714798162 1419513678 /nfs/dbraw/zinc/51/36/78/1419513678.db2.gz RHKXIGBNUBOLNQ-QUCCMNQESA-N 2 0 345.531 3.224 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001714813190 1419524403 /nfs/dbraw/zinc/52/44/03/1419524403.db2.gz FQGPDJCPWVPMFW-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCC1CC1 ZINC001714827730 1419537523 /nfs/dbraw/zinc/53/75/23/1419537523.db2.gz HPVZUTQQIQOTHV-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001714841069 1419553256 /nfs/dbraw/zinc/55/32/56/1419553256.db2.gz ZAKPJVUPZLHNOZ-IBGZPJMESA-N 2 0 345.531 3.354 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001714867341 1419595199 /nfs/dbraw/zinc/59/51/99/1419595199.db2.gz NUVWZPJWMIILHR-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714871370 1419601758 /nfs/dbraw/zinc/60/17/58/1419601758.db2.gz XZOXXRZMRDKIAA-DOTOQJQBSA-N 2 0 342.487 3.131 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001714884811 1419624484 /nfs/dbraw/zinc/62/44/84/1419624484.db2.gz YHDHNPMKHRRBFV-AZUAARDMSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714910282 1419656427 /nfs/dbraw/zinc/65/64/27/1419656427.db2.gz LIZMLAMRUALAPD-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1c(C(=O)N[C@H](C[NH2+]CC[C@@H](C)F)CC(C)C)ccc2c[nH+]cn21 ZINC001714917391 1419668691 /nfs/dbraw/zinc/66/86/91/1419668691.db2.gz CUSBNRSPYJTWJN-ZBFHGGJFSA-N 2 0 348.466 3.125 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1)CC(C)(C)C ZINC001714922390 1419675207 /nfs/dbraw/zinc/67/52/07/1419675207.db2.gz FCPFGWWYHPKZMQ-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CCCCC1 ZINC001714953464 1419694138 /nfs/dbraw/zinc/69/41/38/1419694138.db2.gz AFVBQZYAWVMNNF-DHJFXDNESA-N 2 0 335.536 3.092 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001714974370 1419709010 /nfs/dbraw/zinc/70/90/10/1419709010.db2.gz IRPFLQICZSPSTN-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001714995136 1419727691 /nfs/dbraw/zinc/72/76/91/1419727691.db2.gz NMKWJWTYSXGRMN-GRMGMVGISA-N 2 0 347.547 3.281 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001715024712 1419756913 /nfs/dbraw/zinc/75/69/13/1419756913.db2.gz HPLMHLQYSDUJKF-LJQANCHMSA-N 2 0 331.504 3.085 10 0 EGAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001715029884 1419762307 /nfs/dbraw/zinc/76/23/07/1419762307.db2.gz RZMDQUKBQLNOQG-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001715036892 1419772059 /nfs/dbraw/zinc/77/20/59/1419772059.db2.gz FDRMXYBRXZSDBO-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](CC)[NH2+]CC2CC(C)(C)C2)C1 ZINC001715077309 1419812248 /nfs/dbraw/zinc/81/22/48/1419812248.db2.gz XBBNGKKCXSQGHS-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715190509 1419922676 /nfs/dbraw/zinc/92/26/76/1419922676.db2.gz MMRQODUOLNWRPP-UYAOXDASSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)C1 ZINC001715194839 1419926764 /nfs/dbraw/zinc/92/67/64/1419926764.db2.gz DHYJUPHAMITBLS-QGZVFWFLSA-N 2 0 345.531 3.170 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001715196634 1419928321 /nfs/dbraw/zinc/92/83/21/1419928321.db2.gz QKBSSQJVWUOYOO-HXUWFJFHSA-N 2 0 343.515 3.231 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001715218543 1419951944 /nfs/dbraw/zinc/95/19/44/1419951944.db2.gz XIDLODXGTHMSMC-GOSISDBHSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CCCCCC1 ZINC001715236389 1419967456 /nfs/dbraw/zinc/96/74/56/1419967456.db2.gz PRXVOFTUGHUVPI-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715326162 1420032684 /nfs/dbraw/zinc/03/26/84/1420032684.db2.gz FRCVYCVMXRXQDM-INIZCTEOSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715354568 1420054372 /nfs/dbraw/zinc/05/43/72/1420054372.db2.gz LCPBTLVFGFIVAJ-LNLFQRSKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715391293 1420088375 /nfs/dbraw/zinc/08/83/75/1420088375.db2.gz MPKMIIVOLARKTO-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001715402983 1420101898 /nfs/dbraw/zinc/10/18/98/1420101898.db2.gz PMRVUYDVQRCRRY-IEBWSBKVSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001715428634 1420117880 /nfs/dbraw/zinc/11/78/80/1420117880.db2.gz ZWWJOAVYUPVJKH-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001715464251 1420143685 /nfs/dbraw/zinc/14/36/85/1420143685.db2.gz YVTWFLKLQSXUCR-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001715481070 1420159804 /nfs/dbraw/zinc/15/98/04/1420159804.db2.gz NKFPAXUDRMKGAH-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCCC1 ZINC001715501210 1420183456 /nfs/dbraw/zinc/18/34/56/1420183456.db2.gz ASUGPKNRPXLJFK-OALUTQOASA-N 2 0 337.552 3.029 10 0 EGAERP CCN(CC[NH2+]CC[C@@H]1CCC[C@H](C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001715737843 1420319270 /nfs/dbraw/zinc/31/92/70/1420319270.db2.gz JKYSXGVCGOYEOO-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001715766080 1420332281 /nfs/dbraw/zinc/33/22/81/1420332281.db2.gz KLSHVGGCGWMORM-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001715961483 1420427824 /nfs/dbraw/zinc/42/78/24/1420427824.db2.gz DWAZLKYQIXKVKY-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138530 1420538921 /nfs/dbraw/zinc/53/89/21/1420538921.db2.gz HGTLQLLDNPNQBF-HKUYNNGSSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716198158 1420562820 /nfs/dbraw/zinc/56/28/20/1420562820.db2.gz IMRFVMHVAGDEMR-IBGZPJMESA-N 2 0 345.531 3.164 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716303564 1420598308 /nfs/dbraw/zinc/59/83/08/1420598308.db2.gz PYZLXXDZTWBXQP-IPLHWJFFSA-N 2 0 335.536 3.092 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCC1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716302622 1420598521 /nfs/dbraw/zinc/59/85/21/1420598521.db2.gz IDTZFFNNFZURBE-RRFGBZISSA-N 2 0 347.547 3.236 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001733269925 1429431809 /nfs/dbraw/zinc/43/18/09/1429431809.db2.gz SYKXXWAYWACSBJ-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001716491870 1420713637 /nfs/dbraw/zinc/71/36/37/1420713637.db2.gz HJQOUKUYOPKVSB-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716496973 1420721929 /nfs/dbraw/zinc/72/19/29/1420721929.db2.gz HAACWNHZAGGUCG-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716515307 1420744986 /nfs/dbraw/zinc/74/49/86/1420744986.db2.gz IOBXQDWAAYDVSE-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716520644 1420749242 /nfs/dbraw/zinc/74/92/42/1420749242.db2.gz FDNBXQNCRWUIIL-INPAECQJSA-N 2 0 349.563 3.339 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001716632194 1420791012 /nfs/dbraw/zinc/79/10/12/1420791012.db2.gz WMOCRALSBNRVOJ-YLJYHZDGSA-N 2 0 345.531 3.189 10 0 EGAERP CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001716716027 1420872845 /nfs/dbraw/zinc/87/28/45/1420872845.db2.gz UXFMQWDWUFWPMX-KRWDZBQOSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CC1CC(C)(C)C1)C2 ZINC001716724285 1420881812 /nfs/dbraw/zinc/88/18/12/1420881812.db2.gz YOUXTHGIOCFHGY-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cc(C)c(C[NH2+]C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c(C)c1 ZINC001716783675 1420920634 /nfs/dbraw/zinc/92/06/34/1420920634.db2.gz UTFWDKPACZNYAN-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP CC1CC[NH+](CC(=O)NC2(C)CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001716798372 1420931428 /nfs/dbraw/zinc/93/14/28/1420931428.db2.gz QSEYWIYGMZHYGS-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1 ZINC001716819091 1420945507 /nfs/dbraw/zinc/94/55/07/1420945507.db2.gz QOLQSAQHMRSJBT-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001716819111 1420945708 /nfs/dbraw/zinc/94/57/08/1420945708.db2.gz QYDAIQFNYFAVGQ-WOJBJXKFSA-N 2 0 349.563 3.338 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001716880954 1421005108 /nfs/dbraw/zinc/00/51/08/1421005108.db2.gz XQGRSZKJQACSJN-TZIWHRDSSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001716999388 1421068641 /nfs/dbraw/zinc/06/86/41/1421068641.db2.gz CDHFHFKMSMOVGQ-HLBAPPMRSA-N 2 0 347.547 3.044 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004693 1421073371 /nfs/dbraw/zinc/07/33/71/1421073371.db2.gz XBIZYOACKCNDGZ-BMOGMMAESA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC1CCC1 ZINC001717035754 1421089727 /nfs/dbraw/zinc/08/97/27/1421089727.db2.gz AALLVGNFFQBZQA-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001717036564 1421090214 /nfs/dbraw/zinc/09/02/14/1421090214.db2.gz FSBLSYAUVFAUPH-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCc2ccccc2C[NH+](C)CC(C)C)CC[N@@H+]1C ZINC001717113558 1421117172 /nfs/dbraw/zinc/11/71/72/1421117172.db2.gz YXUADRVNNPOPSS-VQTJNVASSA-N 2 0 345.531 3.121 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717125198 1421127693 /nfs/dbraw/zinc/12/76/93/1421127693.db2.gz FTAMQDOGJUDBSD-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001717128722 1421129813 /nfs/dbraw/zinc/12/98/13/1421129813.db2.gz KKUSXBVBTPXOCN-LJQANCHMSA-N 2 0 343.515 3.014 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001717238250 1421206285 /nfs/dbraw/zinc/20/62/85/1421206285.db2.gz OPNKVSJPLBXFLH-GOSISDBHSA-N 2 0 335.536 3.164 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001717242274 1421210723 /nfs/dbraw/zinc/21/07/23/1421210723.db2.gz SEHSKXZCRJXELO-ACBHZAAOSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)c(C)c1 ZINC001717301301 1421243738 /nfs/dbraw/zinc/24/37/38/1421243738.db2.gz LBRSLVLXTAIHQM-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001717334953 1421272127 /nfs/dbraw/zinc/27/21/27/1421272127.db2.gz BRWIODQWCYNTPA-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001717339097 1421276774 /nfs/dbraw/zinc/27/67/74/1421276774.db2.gz LSNWWOOPFUAWOL-AEFFLSMTSA-N 2 0 349.544 3.093 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001717374847 1421315666 /nfs/dbraw/zinc/31/56/66/1421315666.db2.gz RICHGQLCBGMOND-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717375745 1421317460 /nfs/dbraw/zinc/31/74/60/1421317460.db2.gz BTORZCSEUDJWBP-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]Cc1ccccc1 ZINC001717409096 1421341935 /nfs/dbraw/zinc/34/19/35/1421341935.db2.gz MQYWCAXQVNHUIB-GJZGRUSLSA-N 2 0 345.512 3.106 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001717416175 1421347142 /nfs/dbraw/zinc/34/71/42/1421347142.db2.gz OBMPJFGENJMBTH-DLBZAZTESA-N 2 0 347.547 3.068 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CC1)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001717424557 1421353592 /nfs/dbraw/zinc/35/35/92/1421353592.db2.gz HMPNYGXJQBEAOO-HZPDHXFCSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001717424128 1421353772 /nfs/dbraw/zinc/35/37/72/1421353772.db2.gz BMZLSFWIZVLWDT-IAGOWNOFSA-N 2 0 347.547 3.309 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717448509 1421378202 /nfs/dbraw/zinc/37/82/02/1421378202.db2.gz NJRDICMMKDDRJQ-AATRIKPKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485635 1421421832 /nfs/dbraw/zinc/42/18/32/1421421832.db2.gz PUIKKXIFBVFOCH-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCC1CCCC1 ZINC001717491163 1421430231 /nfs/dbraw/zinc/43/02/31/1421430231.db2.gz VJSYZCVYUSCJTN-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001717526802 1421462488 /nfs/dbraw/zinc/46/24/88/1421462488.db2.gz MQYDIASKASLAJH-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717530612 1421466887 /nfs/dbraw/zinc/46/68/87/1421466887.db2.gz TUEGWUVAPNPYES-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccccc1F ZINC001717542754 1421483409 /nfs/dbraw/zinc/48/34/09/1421483409.db2.gz LISIWSRJVDYNCZ-SFHVURJKSA-N 2 0 349.494 3.027 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001717583592 1421510433 /nfs/dbraw/zinc/51/04/33/1421510433.db2.gz GOFVBXKEDCEJCK-GFOMBABLSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CC2CCCCCC2)CC1(C)C ZINC001717587379 1421515589 /nfs/dbraw/zinc/51/55/89/1421515589.db2.gz DOIKROOFUYLUQM-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC3(C2)CCC[NH+](CCCC(C)C)C3)CC[N@@H+]1C ZINC001717628558 1421536958 /nfs/dbraw/zinc/53/69/58/1421536958.db2.gz ZRUWXEHMGVYHAM-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001717670135 1421559138 /nfs/dbraw/zinc/55/91/38/1421559138.db2.gz BNHOBQSIBNNKSA-KRWDZBQOSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001717702022 1421575302 /nfs/dbraw/zinc/57/53/02/1421575302.db2.gz QENTXECRVURPHY-SFHVURJKSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccsc1 ZINC001717757819 1421621054 /nfs/dbraw/zinc/62/10/54/1421621054.db2.gz RCMQRAPGJCYRMK-HNNXBMFYSA-N 2 0 345.512 3.060 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001717844938 1421659458 /nfs/dbraw/zinc/65/94/58/1421659458.db2.gz AHRCGYCCYJFWHI-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717881007 1421685735 /nfs/dbraw/zinc/68/57/35/1421685735.db2.gz KZXBLSXJXUWDIM-MOPGFXCFSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CCC3=CCCCC3)C(C)(C)C2)CC1 ZINC001717899959 1421696904 /nfs/dbraw/zinc/69/69/04/1421696904.db2.gz YIVAGXMEFPGWSX-SFHVURJKSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001717952336 1421723529 /nfs/dbraw/zinc/72/35/29/1421723529.db2.gz TUQGBZUXPFPWCB-MOPGFXCFSA-N 2 0 345.531 3.258 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959826 1421731393 /nfs/dbraw/zinc/73/13/93/1421731393.db2.gz INGHBJJUMPQCFG-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717995266 1421763370 /nfs/dbraw/zinc/76/33/70/1421763370.db2.gz KSDMRBKYJFFHDR-UUKMXZOPSA-N 2 0 349.563 3.409 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2=CC[NH+](CCCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001718025887 1421779784 /nfs/dbraw/zinc/77/97/84/1421779784.db2.gz AGMYDZIZRXSTSP-HKUYNNGSSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C(=O)NCC1=CC[N@@H+]([C@@H](CC)c2ccccc2)CC1)[NH+](C)C ZINC001718028715 1421782117 /nfs/dbraw/zinc/78/21/17/1421782117.db2.gz SUMIQEUMCQQKTJ-PMACEKPBSA-N 2 0 343.515 3.226 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001733317940 1429503733 /nfs/dbraw/zinc/50/37/33/1429503733.db2.gz SSLYSDNWLDJBBF-LJQANCHMSA-N 2 0 349.563 3.076 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001733355940 1429536664 /nfs/dbraw/zinc/53/66/64/1429536664.db2.gz GYEBNZNZGYVYRZ-DHJFXDNESA-N 2 0 347.547 3.330 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459943 1429684004 /nfs/dbraw/zinc/68/40/04/1429684004.db2.gz ARJMENDGFCYIRJ-UZLBHIALSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCC2CCCCCC2)C1 ZINC001723124128 1424303305 /nfs/dbraw/zinc/30/33/05/1424303305.db2.gz UQEBWSWFHAFJKA-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2C(C)C ZINC001723670008 1424524230 /nfs/dbraw/zinc/52/42/30/1424524230.db2.gz ZXYFUKAJWTVZNB-KDURUIRLSA-N 2 0 337.552 3.362 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733527206 1429734671 /nfs/dbraw/zinc/73/46/71/1429734671.db2.gz JESXDRHPGPKGQQ-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)[C@@H](C)C1 ZINC001723860414 1424589409 /nfs/dbraw/zinc/58/94/09/1424589409.db2.gz LZKXFAQXQZDTMV-HKUYNNGSSA-N 2 0 345.531 3.231 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001723906388 1424602563 /nfs/dbraw/zinc/60/25/63/1424602563.db2.gz MTINCYWMXISLQG-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCC1)C1CCCC1 ZINC001724088198 1424655528 /nfs/dbraw/zinc/65/55/28/1424655528.db2.gz GTTNBKFMNWKWDI-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001733538335 1429744813 /nfs/dbraw/zinc/74/48/13/1429744813.db2.gz NIANLRSEIMBTCO-IAGOWNOFSA-N 2 0 339.568 3.227 10 0 EGAERP C[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCCCC1 ZINC001724097430 1424661021 /nfs/dbraw/zinc/66/10/21/1424661021.db2.gz HDCHMEUOAAESGL-XLIONFOSSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CCCC2)c1 ZINC001724111051 1424669851 /nfs/dbraw/zinc/66/98/51/1424669851.db2.gz YOUDJXGEWVBLQJ-FQEVSTJZSA-N 2 0 345.531 3.100 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC1CCC1 ZINC001724120033 1424673661 /nfs/dbraw/zinc/67/36/61/1424673661.db2.gz VDBXPOLAGWILIN-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724222866 1424741659 /nfs/dbraw/zinc/74/16/59/1424741659.db2.gz MFVGBRFVTRJFGU-CTNGQTDRSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CCC(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001724232677 1424746592 /nfs/dbraw/zinc/74/65/92/1424746592.db2.gz DHKQNTQOKBQMJV-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001724261664 1424761660 /nfs/dbraw/zinc/76/16/60/1424761660.db2.gz GXXBMHWGANEDOQ-HXUWFJFHSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@@]2(C)CCC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001724322555 1424808382 /nfs/dbraw/zinc/80/83/82/1424808382.db2.gz QJGZMSKBIUFWEN-YFVAEKQCSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564953 1424916719 /nfs/dbraw/zinc/91/67/19/1424916719.db2.gz VTNSLURYGFLPDI-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001724647397 1425004162 /nfs/dbraw/zinc/00/41/62/1425004162.db2.gz GCHVDCSDPJFLMW-MOPGFXCFSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001724748390 1425117814 /nfs/dbraw/zinc/11/78/14/1425117814.db2.gz IVBDOKBGKBGPGT-ZRNALYAGSA-N 2 0 349.906 3.048 10 0 EGAERP Cc1cccc([C@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C)c1 ZINC001724859858 1425241094 /nfs/dbraw/zinc/24/10/94/1425241094.db2.gz JXRGVRYKXLRXGB-SFHVURJKSA-N 2 0 333.520 3.177 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1 ZINC001724891146 1425277936 /nfs/dbraw/zinc/27/79/36/1425277936.db2.gz MATRKQOYZFWRCD-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CC3CC(C)C3)C2)C1 ZINC001724902398 1425297568 /nfs/dbraw/zinc/29/75/68/1425297568.db2.gz VRGCHQZQGRLQDF-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)CC1(C)C)[NH+](C)C ZINC001724966657 1425360126 /nfs/dbraw/zinc/36/01/26/1425360126.db2.gz PQHNUVDJWBNGNS-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001724974759 1425376911 /nfs/dbraw/zinc/37/69/11/1425376911.db2.gz ONKRZQUSPRPAQH-GFOMBABLSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)C[C@H]1C ZINC001724991754 1425393978 /nfs/dbraw/zinc/39/39/78/1425393978.db2.gz MBGMALNSNPDJDE-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001725006487 1425420943 /nfs/dbraw/zinc/42/09/43/1425420943.db2.gz JBMHGDYEBHSXNN-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CCN(C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001725018135 1425436402 /nfs/dbraw/zinc/43/64/02/1425436402.db2.gz OWCCAZDYMGMOTN-AATRIKPKSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]1C[NH+](C)CC1CCC(C)CC1 ZINC001725054669 1425489144 /nfs/dbraw/zinc/48/91/44/1425489144.db2.gz YMUNUQNWEXAUPI-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725058398 1425497608 /nfs/dbraw/zinc/49/76/08/1425497608.db2.gz KKGAFVNBSTWPCU-XLIONFOSSA-N 2 0 345.531 3.331 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001725118283 1425578592 /nfs/dbraw/zinc/57/85/92/1425578592.db2.gz OQSLAXPIQFROAQ-MOPGFXCFSA-N 2 0 345.531 3.018 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725232785 1425810538 /nfs/dbraw/zinc/81/05/38/1425810538.db2.gz CIWZWASAXFXJJD-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CC1(C)C[N@H+](CC2CCCCC2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001725296825 1425946001 /nfs/dbraw/zinc/94/60/01/1425946001.db2.gz INUAPOZJQQLHDB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001725333015 1425977090 /nfs/dbraw/zinc/97/70/90/1425977090.db2.gz HLJOEBBAHNXABV-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CCC[NH2+]Cc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725400893 1426046016 /nfs/dbraw/zinc/04/60/16/1426046016.db2.gz YCCRERSOOYTTLP-MRXNPFEDSA-N 2 0 349.494 3.075 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001725427682 1426091264 /nfs/dbraw/zinc/09/12/64/1426091264.db2.gz MLKHANSIQMMYOH-HXUWFJFHSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)C[NH2+]CCC[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001725438900 1426100433 /nfs/dbraw/zinc/10/04/33/1426100433.db2.gz FIEWHEJOFPDFFO-MISYRCLQSA-N 2 0 345.531 3.210 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468635 1426137931 /nfs/dbraw/zinc/13/79/31/1426137931.db2.gz LHNHUWJVFPCQSI-QFBILLFUSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001725505884 1426188213 /nfs/dbraw/zinc/18/82/13/1426188213.db2.gz NYSMOGLPRDRBND-IAGOWNOFSA-N 2 0 347.547 3.433 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625387 1426292036 /nfs/dbraw/zinc/29/20/36/1426292036.db2.gz COEUINOJJGTWJU-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001725635071 1426305882 /nfs/dbraw/zinc/30/58/82/1426305882.db2.gz VCCAVUFJYXKTKM-CEXWTWQISA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1(C)C ZINC001725676831 1426363083 /nfs/dbraw/zinc/36/30/83/1426363083.db2.gz PPXQMYWGAXFRDQ-PEEKWUTASA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001725685759 1426372916 /nfs/dbraw/zinc/37/29/16/1426372916.db2.gz VFSJLRQTFVXFHU-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001725765815 1426448609 /nfs/dbraw/zinc/44/86/09/1426448609.db2.gz FSBCALWEEUXBEB-SXUYDHKASA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001725765624 1426448791 /nfs/dbraw/zinc/44/87/91/1426448791.db2.gz BXNPMCCDEGCRNB-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+](CC)CC ZINC001725786740 1426472944 /nfs/dbraw/zinc/47/29/44/1426472944.db2.gz NXDYLSROOSCAFI-ABHNRTSZSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001725787969 1426474019 /nfs/dbraw/zinc/47/40/19/1426474019.db2.gz WWKCHSGCMVQRNV-UHFFFAOYSA-N 2 0 337.552 3.122 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]CC2=CCCCC2)C1 ZINC001725790514 1426475983 /nfs/dbraw/zinc/47/59/83/1426475983.db2.gz WBLUGWATDSSEQE-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725793751 1426478880 /nfs/dbraw/zinc/47/88/80/1426478880.db2.gz FXBQKLXZFDVXIE-IBGZPJMESA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001725793790 1426479537 /nfs/dbraw/zinc/47/95/37/1426479537.db2.gz GTSJYUAQWIAFDF-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](C)CCC1=CCCCC1 ZINC001731284952 1427227623 /nfs/dbraw/zinc/22/76/23/1427227623.db2.gz QHLKXJVMMNDRJB-HDICACEKSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731434789 1427415602 /nfs/dbraw/zinc/41/56/02/1427415602.db2.gz BHDUVIILAAMHTI-OXUXSNCKSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001731597171 1427639776 /nfs/dbraw/zinc/63/97/76/1427639776.db2.gz CESQBAMXKPEBSI-LPHOPBHVSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001731606881 1427651741 /nfs/dbraw/zinc/65/17/41/1427651741.db2.gz BRQUWHINRCWPQF-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001731641402 1427700685 /nfs/dbraw/zinc/70/06/85/1427700685.db2.gz STSPYDYNSPORHC-XLIONFOSSA-N 2 0 343.515 3.034 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731670097 1427719755 /nfs/dbraw/zinc/71/97/55/1427719755.db2.gz BZMMCJAORVRCLM-MJRGOJFPSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001731701199 1427753679 /nfs/dbraw/zinc/75/36/79/1427753679.db2.gz VCSGZCHHTOQHHB-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731713402 1427774682 /nfs/dbraw/zinc/77/46/82/1427774682.db2.gz MTJRMGISCSJHMO-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001731725153 1427797984 /nfs/dbraw/zinc/79/79/84/1427797984.db2.gz JUWFVKVOHGOKGF-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CCCCC1 ZINC001731866500 1428114994 /nfs/dbraw/zinc/11/49/94/1428114994.db2.gz LLQBLLVWAFZWAG-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)C[C@H]2C1 ZINC001733577912 1429781680 /nfs/dbraw/zinc/78/16/80/1429781680.db2.gz IFAOFZXDYWGIHZ-HCRJECLASA-N 2 0 349.563 3.101 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001733600382 1429801828 /nfs/dbraw/zinc/80/18/28/1429801828.db2.gz NIEAYCMPGLEVDL-HMTUNPETSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)CC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001733677391 1429874073 /nfs/dbraw/zinc/87/40/73/1429874073.db2.gz OOBFQZYBKFYSJC-YLJYHZDGSA-N 2 0 345.531 3.121 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001733692165 1429909515 /nfs/dbraw/zinc/90/95/15/1429909515.db2.gz UYEBBAMSZATISX-FHWLQOOXSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733809694 1430085779 /nfs/dbraw/zinc/08/57/79/1430085779.db2.gz QKQLTZFLRLLAFC-LKGOPFMKSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC(C)([NH2+]CCCC3CCC3)CC2)CCC1 ZINC001733863330 1437691881 /nfs/dbraw/zinc/69/18/81/1437691881.db2.gz KLKRTVVCJCIQDF-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001733863157 1437692124 /nfs/dbraw/zinc/69/21/24/1437692124.db2.gz FZEAPWMHPQDZMQ-SFHVURJKSA-N 2 0 335.536 3.164 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001733874711 1437700451 /nfs/dbraw/zinc/70/04/51/1437700451.db2.gz CMKGRMJVXRKYCQ-LIXSYLKWSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001733911063 1437729275 /nfs/dbraw/zinc/72/92/75/1437729275.db2.gz ITUDXFXIBHVFHF-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001733980166 1437777918 /nfs/dbraw/zinc/77/79/18/1437777918.db2.gz BRLOVYDRFRMAAB-SJORKVTESA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](NC(=O)c1ccccc1CC[NH+](C)C)[C@H](C)[NH2+]CCC(C)(C)C ZINC001733981905 1437779194 /nfs/dbraw/zinc/77/91/94/1437779194.db2.gz IVSRNWGFLIKUGV-IRXDYDNUSA-N 2 0 347.547 3.323 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]CC1CCCC1 ZINC001734025387 1437813644 /nfs/dbraw/zinc/81/36/44/1437813644.db2.gz OKAPGJHEXGFSPU-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001734033530 1437821064 /nfs/dbraw/zinc/82/10/64/1437821064.db2.gz FFYCRXRZYFOVNY-IAGOWNOFSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001734033532 1437821241 /nfs/dbraw/zinc/82/12/41/1437821241.db2.gz FFYCRXRZYFOVNY-IRXDYDNUSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001734034227 1437822164 /nfs/dbraw/zinc/82/21/64/1437822164.db2.gz ICQCELFABLALJU-MJGOQNOKSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CCC1=CCCCC1 ZINC001734058446 1437850461 /nfs/dbraw/zinc/85/04/61/1437850461.db2.gz NERJYAWRBGCGEG-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CCC1=CCCCC1 ZINC001734058445 1437850514 /nfs/dbraw/zinc/85/05/14/1437850514.db2.gz NERJYAWRBGCGEG-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC001734103718 1437888856 /nfs/dbraw/zinc/88/88/56/1437888856.db2.gz LTXUNYZNJJAQEG-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001734106184 1437892890 /nfs/dbraw/zinc/89/28/90/1437892890.db2.gz LPMXJTHESICKQC-SBUVDCAVSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001734106621 1437892943 /nfs/dbraw/zinc/89/29/43/1437892943.db2.gz RQQLCZIQMDAJFD-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001734123737 1437903697 /nfs/dbraw/zinc/90/36/97/1437903697.db2.gz IDQAORYFQDCEHC-IAGOWNOFSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CCCCCC2)CC1(C)C ZINC001734156403 1437922612 /nfs/dbraw/zinc/92/26/12/1437922612.db2.gz XDHGIJSISLLDOH-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001734339805 1438060761 /nfs/dbraw/zinc/06/07/61/1438060761.db2.gz PSNGTDPTHVFUJZ-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001734398039 1438081506 /nfs/dbraw/zinc/08/15/06/1438081506.db2.gz DIEMJLGUTPPCCK-SJORKVTESA-N 2 0 339.568 3.370 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC/C=C/c2ccccc2)C[C@H]1C ZINC001734427066 1438092346 /nfs/dbraw/zinc/09/23/46/1438092346.db2.gz OBYVZXVEMOKMST-MRDYICJFSA-N 2 0 343.515 3.011 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@@H]12 ZINC001734441422 1438103732 /nfs/dbraw/zinc/10/37/32/1438103732.db2.gz SUNOKMOOFXKZFN-PNYFIKQUSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487905 1438129548 /nfs/dbraw/zinc/12/95/48/1438129548.db2.gz OQLALJKZZMSKQX-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C(C)(C)C)C1CCC1 ZINC001734559755 1438157941 /nfs/dbraw/zinc/15/79/41/1438157941.db2.gz ADWIUEZBKKTEJU-IBGZPJMESA-N 2 0 349.563 3.482 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)C1CCC1 ZINC001734561071 1438158710 /nfs/dbraw/zinc/15/87/10/1438158710.db2.gz KOPBGCZBIXFCDN-KRWDZBQOSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001734565670 1438161542 /nfs/dbraw/zinc/16/15/42/1438161542.db2.gz ZUWWEXJOKCCPQW-MOPGFXCFSA-N 2 0 345.531 3.100 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001734574760 1438168115 /nfs/dbraw/zinc/16/81/15/1438168115.db2.gz DVDMNKHOTPZMMA-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001734585922 1438176011 /nfs/dbraw/zinc/17/60/11/1438176011.db2.gz BXZJHQHYFARTPD-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001734628652 1438192238 /nfs/dbraw/zinc/19/22/38/1438192238.db2.gz QUDLFFUJYKHTIQ-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NCC1=CC[N@H+](CCC2CCCC2)CC1 ZINC001734636876 1438196715 /nfs/dbraw/zinc/19/67/15/1438196715.db2.gz LOUXHWMLIUSNIJ-UHFFFAOYSA-N 2 0 347.547 3.191 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC2CC2)CC1 ZINC001750936333 1440114989 /nfs/dbraw/zinc/11/49/89/1440114989.db2.gz ZEYSSYXEQNNZIX-FQEVSTJZSA-N 2 0 349.563 3.220 10 0 EGAERP COc1ccc(CC[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1O ZINC000368440424 168356074 /nfs/dbraw/zinc/35/60/74/168356074.db2.gz CXQVCJGBOCAYPS-ZLPCBKJTSA-N 2 0 332.488 3.328 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)[nH]n1 ZINC000221763136 201031344 /nfs/dbraw/zinc/03/13/44/201031344.db2.gz YWDKSTPIWLATPN-DZLUEKEQSA-N 2 0 338.499 3.149 10 0 EGAERP c1ccc(CC2CC[NH+](CCCC[NH2+]Cc3cncnc3)CC2)cc1 ZINC000109350684 204282092 /nfs/dbraw/zinc/28/20/92/204282092.db2.gz HAUGZLTZXSXVAD-UHFFFAOYSA-N 2 0 338.499 3.301 10 0 EGAERP Cc1cc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cc(C)c1O ZINC000377659774 169056159 /nfs/dbraw/zinc/05/61/59/169056159.db2.gz QAZSXIZNBLWLQD-UHFFFAOYSA-N 2 0 345.531 3.049 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000268823460 252274947 /nfs/dbraw/zinc/27/49/47/252274947.db2.gz AOBUYNCNLVJGMR-RXVVDRJESA-N 2 0 329.532 3.219 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269042613 255519188 /nfs/dbraw/zinc/51/91/88/255519188.db2.gz UIDDSZGCEBAORO-CYBMUJFWSA-N 2 0 335.883 3.222 10 0 EGAERP C[C@H]([NH2+]CCOCCOc1ccccc1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923768 141217794 /nfs/dbraw/zinc/21/77/94/141217794.db2.gz DOKPAUVUJPRSRF-RBUKOAKNSA-N 2 0 346.515 3.325 10 0 EGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000352930441 141271172 /nfs/dbraw/zinc/27/11/72/141271172.db2.gz KKTKPCOIWNNIBY-FQEVSTJZSA-N 2 0 345.531 3.361 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)NC1CCCC1 ZINC000171502417 144005419 /nfs/dbraw/zinc/00/54/19/144005419.db2.gz YDZURXGOPDHCSK-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP CN1CC[NH+]([C@H]2CCCCN(Cc3ccc(F)cc3Cl)C2)CC1 ZINC000174896056 144054097 /nfs/dbraw/zinc/05/40/97/144054097.db2.gz DKIBHIOROAXFPX-KRWDZBQOSA-N 2 0 339.886 3.081 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000351849356 144316516 /nfs/dbraw/zinc/31/65/16/144316516.db2.gz PNIPVHLJHPJBIK-FCGDIQPGSA-N 2 0 335.536 3.115 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]([C@H]4CCOC4)C3)CC2)cc[nH+]1 ZINC000341392748 155265286 /nfs/dbraw/zinc/26/52/86/155265286.db2.gz DZGDXCQRXYYTNK-HSALFYBXSA-N 2 0 343.515 3.483 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186249151 286385508 /nfs/dbraw/zinc/38/55/08/286385508.db2.gz ZRPIOKKTOQMMLN-RBUKOAKNSA-N 2 0 338.536 3.062 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+][C@H](C)CCC[NH+](CC)CC)C12CCOCC2 ZINC000249052094 286401345 /nfs/dbraw/zinc/40/13/45/286401345.db2.gz WXIYJHQUMWMOFG-FGTMMUONSA-N 2 0 326.525 3.061 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH+](CC)CC)cc2)CC1 ZINC000338180421 154617650 /nfs/dbraw/zinc/61/76/50/154617650.db2.gz IFXQNRBFGMWTSU-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP O=C(NCc1ccccc1C[NH+]1CCCCC1)c1ccc2c[nH+]cn2c1 ZINC000339890177 155020546 /nfs/dbraw/zinc/02/05/46/155020546.db2.gz RIRPVRVQAQKKEG-UHFFFAOYSA-N 2 0 348.450 3.250 10 0 EGAERP c1cnn(CCC[NH2+][C@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000248400532 163000812 /nfs/dbraw/zinc/00/08/12/163000812.db2.gz LCJDYTFVAIFSAG-ACRUOGEOSA-N 2 0 338.499 3.164 10 0 EGAERP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000248417790 163003197 /nfs/dbraw/zinc/00/31/97/163003197.db2.gz RQYOZIFOZRVYHX-DZLUEKEQSA-N 2 0 338.499 3.290 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000248497860 163009236 /nfs/dbraw/zinc/00/92/36/163009236.db2.gz RLLOJQRGGAENDG-YOEHRIQHSA-N 2 0 346.450 3.128 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3CCC[C@@H](C)C3)cn2)CC1 ZINC000350897116 165078164 /nfs/dbraw/zinc/07/81/64/165078164.db2.gz NXBCSTKRYOVTIH-QZTJIDSGSA-N 2 0 330.520 3.139 10 0 EGAERP CC1CC[NH+](C2CCC(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000355136365 166115629 /nfs/dbraw/zinc/11/56/29/166115629.db2.gz CPKICXJIKPIZTG-GPJFCIFZSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000355939411 166354244 /nfs/dbraw/zinc/35/42/44/166354244.db2.gz XYYABZWDCLHAQS-OKZBNKHCSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCC(=O)N2CCC[C@H]2C)cc1 ZINC000359524145 167178552 /nfs/dbraw/zinc/17/85/52/167178552.db2.gz VIDTXABUOZRCAH-HZPDHXFCSA-N 2 0 340.471 3.232 10 0 EGAERP COc1c[nH+]ccc1N1CCN(c2ccnc3ccsc32)CC1 ZINC000360250992 167282237 /nfs/dbraw/zinc/28/22/37/167282237.db2.gz QVNPFRGHVRGMGW-UHFFFAOYSA-N 2 0 326.425 3.027 10 0 EGAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367592760 168246207 /nfs/dbraw/zinc/24/62/07/168246207.db2.gz FFUCRYZCBYXHPO-CEWLAPEOSA-N 2 0 339.483 3.416 10 0 EGAERP COc1ccc(OC(F)F)c(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367597284 168247272 /nfs/dbraw/zinc/24/72/72/168247272.db2.gz BJSYUAVMNPSXKH-OAGGEKHMSA-N 2 0 340.414 3.259 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1CC[N@@H+](C)[C@H]2CCC[C@@H]21 ZINC000367596978 168247339 /nfs/dbraw/zinc/24/73/39/168247339.db2.gz KWTTZJGBLHTDJF-LMMKCTJWSA-N 2 0 326.488 3.197 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCO[C@@H](C(C)(C)C)C2)cc1 ZINC000677854750 549343827 /nfs/dbraw/zinc/34/38/27/549343827.db2.gz ZGWZTJHAZCGBIM-PKOBYXMFSA-N 2 0 334.504 3.310 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)CC3 ZINC000123402430 222271759 /nfs/dbraw/zinc/27/17/59/222271759.db2.gz GJWBKDCOTGYLQE-INIZCTEOSA-N 2 0 341.499 3.496 10 0 EGAERP COc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)ccc1F ZINC000179412683 265375130 /nfs/dbraw/zinc/37/51/30/265375130.db2.gz XNUSSFHRMNUDNC-OAGGEKHMSA-N 2 0 338.467 3.374 10 0 EGAERP CC[N@@H+]1CC[C@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@H](C)C1 ZINC000250077403 266262510 /nfs/dbraw/zinc/26/25/10/266262510.db2.gz ORWRBKIUAQTITA-HLAWJBBLSA-N 2 0 329.532 3.361 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887435 267302313 /nfs/dbraw/zinc/30/23/13/267302313.db2.gz ITVPVURZZWAVMP-LPHOPBHVSA-N 2 0 342.458 3.318 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000278452141 268016065 /nfs/dbraw/zinc/01/60/65/268016065.db2.gz LPQMBZWPXBBFSD-ZLGUVYLKSA-N 2 0 342.458 3.359 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000191952113 275222863 /nfs/dbraw/zinc/22/28/63/275222863.db2.gz CXPRWIMUFCWODE-UHFFFAOYSA-N 2 0 329.488 3.341 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653866 276197152 /nfs/dbraw/zinc/19/71/52/276197152.db2.gz RNFOJZKSNBLTGU-YJBOKZPZSA-N 2 0 349.494 3.044 10 0 EGAERP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCCC[NH+](C)C ZINC000289729203 276384831 /nfs/dbraw/zinc/38/48/31/276384831.db2.gz MKVISDMMKHZVMV-LBPRGKRZSA-N 2 0 331.273 3.451 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[N@@H+]1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000225434929 279377673 /nfs/dbraw/zinc/37/76/73/279377673.db2.gz LLULCWNESNCMDO-NTZNESFSSA-N 2 0 329.257 3.188 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@H](C)C1)CCCO2 ZINC000366789055 281091963 /nfs/dbraw/zinc/09/19/63/281091963.db2.gz JCWYRPAXWSJMCE-MJGOQNOKSA-N 2 0 332.488 3.299 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000072817261 307382586 /nfs/dbraw/zinc/38/25/86/307382586.db2.gz TVWVPMDXDOPZRL-UHFFFAOYSA-N 2 0 343.515 3.019 10 0 EGAERP COCCc1nc(C)c([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)s1 ZINC000414196285 309066261 /nfs/dbraw/zinc/06/62/61/309066261.db2.gz XFTLFETWAAVNTG-LBPRGKRZSA-N 2 0 330.457 3.139 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378844 307973580 /nfs/dbraw/zinc/97/35/80/307973580.db2.gz BLITXHXPZARUEY-BRWVUGGUSA-N 2 0 339.524 3.096 10 0 EGAERP COCC[C@H](Cc1cccc(F)c1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297484491 308538537 /nfs/dbraw/zinc/53/85/37/308538537.db2.gz JZXNIFUILUXDIG-GOSISDBHSA-N 2 0 327.403 3.211 10 0 EGAERP COC(=O)c1ccc(Cl)c(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414811991 309103062 /nfs/dbraw/zinc/10/30/62/309103062.db2.gz KDQPQKXAHOLOOR-GFCCVEGCSA-N 2 0 332.831 3.436 10 0 EGAERP CCCc1cc(N2C[C@H]([NH+]3CCOCC3)[C@@H](C)C2)c2ccccc2[nH+]1 ZINC000301772578 308714609 /nfs/dbraw/zinc/71/46/09/308714609.db2.gz FCWCYTPDQTXOAC-KKSFZXQISA-N 2 0 339.483 3.344 10 0 EGAERP C[C@@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414886539 309107291 /nfs/dbraw/zinc/10/72/91/309107291.db2.gz YIAREFRHRTZXNT-JTQLQIEISA-N 2 0 340.290 3.257 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414900756 309108274 /nfs/dbraw/zinc/10/82/74/309108274.db2.gz IWVKUZSSOQAGAX-LBPRGKRZSA-N 2 0 343.284 3.499 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414952142 309111082 /nfs/dbraw/zinc/11/10/82/309111082.db2.gz QNZLDPZFTZFASL-GYSYKLTISA-N 2 0 329.257 3.249 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000415040004 309115850 /nfs/dbraw/zinc/11/58/50/309115850.db2.gz JMFSOQOZTPIPAB-WBVHZDCISA-N 2 0 328.485 3.169 10 0 EGAERP c1ccc(C[C@@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415046993 309116309 /nfs/dbraw/zinc/11/63/09/309116309.db2.gz DGDFMECOGXHPFR-SAZYNNDCSA-N 2 0 341.543 3.204 10 0 EGAERP CCC[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccccc1 ZINC000415049563 309116423 /nfs/dbraw/zinc/11/64/23/309116423.db2.gz HSEIKQYXPVLENS-QNGMFEMESA-N 2 0 329.532 3.376 10 0 EGAERP CCC[C@H](Cc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415048933 309116483 /nfs/dbraw/zinc/11/64/83/309116483.db2.gz GQUYSKOQXOPXAN-NYLDSWQDSA-N 2 0 329.532 3.204 10 0 EGAERP c1cc(-c2ccccc2)oc1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050063 309116618 /nfs/dbraw/zinc/11/66/18/309116618.db2.gz IFFLVSIOXADNOW-UHFFFAOYSA-N 2 0 339.483 3.253 10 0 EGAERP Cn1c2ccc(C[NH2+][C@H](CCC[NH3+])c3ccccc3)cc2sc1=O ZINC000415054947 309117008 /nfs/dbraw/zinc/11/70/08/309117008.db2.gz OECQFSCPRGLZMJ-MRXNPFEDSA-N 2 0 341.480 3.170 10 0 EGAERP C[C@]1(c2ccccc2)CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415055864 309117099 /nfs/dbraw/zinc/11/70/99/309117099.db2.gz PCZJXOIWKLEFAU-JRRMTSHWSA-N 2 0 341.543 3.303 10 0 EGAERP CC[C@@H](C(=O)N1CCC([NH2+]C[C@H]([NH3+])CC(C)C)CC1)c1ccccc1 ZINC000415106723 309120687 /nfs/dbraw/zinc/12/06/87/309120687.db2.gz NEQCPFBXNHQQKS-UYAOXDASSA-N 2 0 345.531 3.134 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)Nc1ccccc1C[NH2+]C ZINC000415897171 309146692 /nfs/dbraw/zinc/14/66/92/309146692.db2.gz FHGCUKBZBBQKRU-UHFFFAOYSA-N 2 0 334.508 3.238 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)c1 ZINC000415905806 309147314 /nfs/dbraw/zinc/14/73/14/309147314.db2.gz IYOKZEBMEJVMBT-HZPDHXFCSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000415950207 309150870 /nfs/dbraw/zinc/15/08/70/309150870.db2.gz GVRTVINVMVQALN-QGZVFWFLSA-N 2 0 332.492 3.134 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N(C)[C@H]1CC[N@H+](CC)[C@@H](C)C1 ZINC000415961726 309151447 /nfs/dbraw/zinc/15/14/47/309151447.db2.gz WGAJKOBSMQWBID-RDJZCZTQSA-N 2 0 332.492 3.133 10 0 EGAERP CCCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416014367 309154667 /nfs/dbraw/zinc/15/46/67/309154667.db2.gz SLLPSVWGUYHBGC-UHFFFAOYSA-N 2 0 344.503 3.410 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@H](C)[NH3+])cc1)CC(C)C ZINC000416966557 309188162 /nfs/dbraw/zinc/18/81/62/309188162.db2.gz YOAAYTARMHYFJD-LPHOPBHVSA-N 2 0 348.535 3.262 10 0 EGAERP FC(F)CN1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377363 309203524 /nfs/dbraw/zinc/20/35/24/309203524.db2.gz CXQNWDPTAJXTBG-AKHDSKFASA-N 2 0 349.469 3.111 10 0 EGAERP C[NH+](C)C1CCC([NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000421887960 309345204 /nfs/dbraw/zinc/34/52/04/309345204.db2.gz WGAQSAQNBZTTNW-FAFZWHIHSA-N 2 0 328.435 3.168 10 0 EGAERP [NH3+]C1CCC([NH2+][C@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000423156553 309388624 /nfs/dbraw/zinc/38/86/24/309388624.db2.gz SSOLXKCWJCPGMP-FDZGAKKTSA-N 2 0 327.241 3.435 10 0 EGAERP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422730439 309365488 /nfs/dbraw/zinc/36/54/88/309365488.db2.gz FAELMWNIPIXLNE-FGTMMUONSA-N 2 0 333.545 3.007 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN([C@@H](C)c2ccccc2)C1 ZINC000422735909 309365832 /nfs/dbraw/zinc/36/58/32/309365832.db2.gz FNNAZHHMVBXOKT-ZWOKBUDYSA-N 2 0 338.499 3.335 10 0 EGAERP c1ccc2c(c1)CC[C@H]([NH2+][C@@H]1C[C@@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422750099 309366450 /nfs/dbraw/zinc/36/64/50/309366450.db2.gz CEEQWOZKLYASRW-CZTZKLFOSA-N 2 0 334.463 3.389 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422789233 309368300 /nfs/dbraw/zinc/36/83/00/309368300.db2.gz RUGQBCBWBSMPMF-AVRDEDQJSA-N 2 0 337.511 3.331 10 0 EGAERP CCCOc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422823516 309370342 /nfs/dbraw/zinc/37/03/42/309370342.db2.gz DMXUXZQSBZUMIX-CQSZACIVSA-N 2 0 343.471 3.497 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc3c(c2)CCO3)cc1 ZINC000422837607 309371137 /nfs/dbraw/zinc/37/11/37/309371137.db2.gz MLENYILVGKNBHS-FQEVSTJZSA-N 2 0 340.467 3.132 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422871431 309373006 /nfs/dbraw/zinc/37/30/06/309373006.db2.gz YUUZRAJNDUPBKB-QGWWYQLQSA-N 2 0 349.469 3.444 10 0 EGAERP COc1cccc(N2CC[C@H](C[NH2+][C@@H](C)C[C@@H]3CCCCC[NH2+]3)C2)c1 ZINC000422896986 309374757 /nfs/dbraw/zinc/37/47/57/309374757.db2.gz BCBXZFCEPDCKNU-OTWHNJEPSA-N 2 0 345.531 3.422 10 0 EGAERP COC[C@H]([NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422953600 309377789 /nfs/dbraw/zinc/37/77/89/309377789.db2.gz FULBWUHJMDAEAB-IRFCIJBXSA-N 2 0 338.451 3.220 10 0 EGAERP COc1ccc(COCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1 ZINC000422985119 309379419 /nfs/dbraw/zinc/37/94/19/309379419.db2.gz CEVAAQOCLINHGG-SLFFLAALSA-N 2 0 332.488 3.112 10 0 EGAERP CC(C)[NH+](CCCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422988845 309379717 /nfs/dbraw/zinc/37/97/17/309379717.db2.gz ACCLPEWUSZLAIN-PZJWPPBQSA-N 2 0 345.531 3.341 10 0 EGAERP CCC1(C[NH2+][C@H]2CCC[C@H]2C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423003906 309380267 /nfs/dbraw/zinc/38/02/67/309380267.db2.gz NONPNEQOEDFWTQ-PMACEKPBSA-N 3 0 329.532 3.396 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCOCc1ccc(Cl)cc1 ZINC000423005788 309380529 /nfs/dbraw/zinc/38/05/29/309380529.db2.gz STUSYAKMQSOKNS-ZDUSSCGKSA-N 2 0 333.863 3.370 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCC[C@@H]1CCCCO1 ZINC000423029476 309381844 /nfs/dbraw/zinc/38/18/44/309381844.db2.gz ALQNTYDZPOWFAV-XKGZKEIXSA-N 2 0 330.472 3.181 10 0 EGAERP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1 ZINC000423051793 309383196 /nfs/dbraw/zinc/38/31/96/309383196.db2.gz PBZWXOFHLTVGOX-GUDVDZBRSA-N 2 0 328.456 3.030 10 0 EGAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423109561 309386462 /nfs/dbraw/zinc/38/64/62/309386462.db2.gz HRSHFIIIDIVXDU-SGTLLEGYSA-N 2 0 329.419 3.335 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423127784 309387210 /nfs/dbraw/zinc/38/72/10/309387210.db2.gz KAUIPLHVBSASHU-BOUXLOLZSA-N 2 0 328.431 3.335 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000423154660 309388555 /nfs/dbraw/zinc/38/85/55/309388555.db2.gz PFMGCGWSSZYBDT-YGRLFVJLSA-N 2 0 327.241 3.307 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@@H]2CCC[NH2+]C2)CC1 ZINC000423215246 309390913 /nfs/dbraw/zinc/39/09/13/309390913.db2.gz MQEGGSNXSBDTFC-WSTZPKSXSA-N 2 0 329.532 3.060 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@@H]32)cc1 ZINC000423239629 309391960 /nfs/dbraw/zinc/39/19/60/309391960.db2.gz BMUYCYVVFFSUCF-NRDMVMEKSA-N 3 0 327.516 3.019 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257005 309392692 /nfs/dbraw/zinc/39/26/92/309392692.db2.gz HAKVZLFVUWGHDY-UKRRQHHQSA-N 2 0 347.894 3.269 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@]2(C)CCC[NH2+]C2)CC1 ZINC000423336887 309395866 /nfs/dbraw/zinc/39/58/66/309395866.db2.gz KBPVDDBCNIPURT-GHTZIAJQSA-N 2 0 329.532 3.061 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423561896 309406391 /nfs/dbraw/zinc/40/63/91/309406391.db2.gz WEYYXPMKTFTJHV-QKPAOTATSA-N 2 0 349.316 3.284 10 0 EGAERP Cc1nc2ccc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc2s1 ZINC000426048159 309498379 /nfs/dbraw/zinc/49/83/79/309498379.db2.gz SRKZVGZUVRQONW-UHFFFAOYSA-N 2 0 345.512 3.149 10 0 EGAERP COC(=O)C(C)(C)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449061534 310033896 /nfs/dbraw/zinc/03/38/96/310033896.db2.gz VWYKNGHDDDECGT-UHFFFAOYSA-N 2 0 326.525 3.454 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC2CC[NH+](C3CC3)CC2)CC1 ZINC000449076752 310035125 /nfs/dbraw/zinc/03/51/25/310035125.db2.gz XVYBVVYTKWWRMA-SFHVURJKSA-N 2 0 341.543 3.298 10 0 EGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@@H](C)Cc2ccoc2)CC1 ZINC000449082289 310035428 /nfs/dbraw/zinc/03/54/28/310035428.db2.gz MENZCDQPCKXQTF-SFHVURJKSA-N 2 0 341.499 3.138 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H](C)Cc3ccoc3)cc2)CC1 ZINC000449083351 310035651 /nfs/dbraw/zinc/03/56/51/310035651.db2.gz SZHNSEHTNQTITI-GOSISDBHSA-N 2 0 341.499 3.138 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+]Cc1cc2cccnc2o1 ZINC000449106594 310037421 /nfs/dbraw/zinc/03/74/21/310037421.db2.gz MOTNGJAJBMWDNY-UHFFFAOYSA-N 2 0 325.412 3.058 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000449133459 310039370 /nfs/dbraw/zinc/03/93/70/310039370.db2.gz YNYBTLCEAFOLCG-GOSISDBHSA-N 3 0 329.532 3.013 10 0 EGAERP C[C@@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449190113 310043410 /nfs/dbraw/zinc/04/34/10/310043410.db2.gz QIQAHPMDCSHIDI-WMZOPIPTSA-N 2 0 340.552 3.449 10 0 EGAERP CCO[C@H]1COCC[C@@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449240378 310046815 /nfs/dbraw/zinc/04/68/15/310046815.db2.gz YRNCECLEKOFSGI-ROUUACIJSA-N 2 0 340.552 3.449 10 0 EGAERP CC[C@H](COCC(F)(F)F)[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000449382737 310057859 /nfs/dbraw/zinc/05/78/59/310057859.db2.gz YGXHROFXBRRLEV-CQSZACIVSA-N 2 0 342.365 3.023 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1 ZINC000449509176 310068012 /nfs/dbraw/zinc/06/80/12/310068012.db2.gz ITTWYPGQOBLADM-NQYYFHDYSA-N 2 0 336.520 3.351 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1 ZINC000449509177 310068028 /nfs/dbraw/zinc/06/80/28/310068028.db2.gz ITTWYPGQOBLADM-OQIJWPOYSA-N 2 0 336.520 3.351 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000450590457 310131704 /nfs/dbraw/zinc/13/17/04/310131704.db2.gz VPLSOYJGIUKOFK-KRWDZBQOSA-N 2 0 343.506 3.302 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@@H]3CCCCC3(F)F)CC2)CC1 ZINC000450744185 310140517 /nfs/dbraw/zinc/14/05/17/310140517.db2.gz LGKMUVQWZLPBKI-KRWDZBQOSA-N 2 0 343.506 3.161 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)c1 ZINC000453057540 310254858 /nfs/dbraw/zinc/25/48/58/310254858.db2.gz FPBRBTFGFRPXBP-KRWDZBQOSA-N 2 0 334.504 3.202 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453393577 310274396 /nfs/dbraw/zinc/27/43/96/310274396.db2.gz VGHLQSTZNJAYOB-SRHPJPHMSA-N 2 0 328.500 3.180 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496400715 311707436 /nfs/dbraw/zinc/70/74/36/311707436.db2.gz GJGHZOIXRWHWNN-NJINODPHSA-N 2 0 339.524 3.094 10 0 EGAERP C[NH+](C)[C@@H]1CCC[N@H+](CC2(O)CCC(c3ccccc3)CC2)CC1 ZINC000528477299 313101111 /nfs/dbraw/zinc/10/11/11/313101111.db2.gz QCQAQKVOVXNRNF-NYLDSWQDSA-N 2 0 330.516 3.491 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000532295404 313780465 /nfs/dbraw/zinc/78/04/65/313780465.db2.gz BLLZCAUIODHRCK-LJQANCHMSA-N 2 0 347.547 3.105 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CC(=O)NC(C)(C)CC)CC1)CC1CC1 ZINC000536737071 314142993 /nfs/dbraw/zinc/14/29/93/314142993.db2.gz PCLIHGSKULKJHV-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)cc([C@@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000537447396 314181723 /nfs/dbraw/zinc/18/17/23/314181723.db2.gz RLJNIWMTXDIQOS-MJGOQNOKSA-N 2 0 333.520 3.047 10 0 EGAERP C[C@H](c1cccc(F)c1)N1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000537682503 314202546 /nfs/dbraw/zinc/20/25/46/314202546.db2.gz VQWXHSKPNDWYNM-YLJYHZDGSA-N 2 0 333.495 3.379 10 0 EGAERP Cc1cc([C@@H]([NH2+]CCN2CCC([NH+](C)C)CC2)C2CC2)ccc1F ZINC000538113652 314226796 /nfs/dbraw/zinc/22/67/96/314226796.db2.gz XLFSIDLMRDANGD-FQEVSTJZSA-N 2 0 333.495 3.201 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C[C@H](C)OC)C(C)C)CC1 ZINC000538718876 314269490 /nfs/dbraw/zinc/26/94/90/314269490.db2.gz UPBVRQFULXYOPP-IBGZPJMESA-N 2 0 347.547 3.464 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC000539044772 314292270 /nfs/dbraw/zinc/29/22/70/314292270.db2.gz SMYGWZFLOUCQAY-RDGPPVDQSA-N 2 0 340.552 3.307 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@H]2CCC[C@@H]21 ZINC000552245403 315208583 /nfs/dbraw/zinc/20/85/83/315208583.db2.gz ZJOJGCVZRUEPPF-YSHGAJCASA-N 2 0 333.907 3.381 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572378350 317331015 /nfs/dbraw/zinc/33/10/15/317331015.db2.gz ACTFLRVGWNNHTI-OMNBBPDLSA-N 2 0 325.859 3.084 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CCC[NH+](CC)C2)cc1)C(C)C ZINC000171268516 323227213 /nfs/dbraw/zinc/22/72/13/323227213.db2.gz VQGDIMYZEGHJHK-IBGZPJMESA-N 2 0 331.504 3.131 10 0 EGAERP CC[C@H](c1ccc(F)cc1F)[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000172535626 323285461 /nfs/dbraw/zinc/28/54/61/323285461.db2.gz USYIKPPQSBMNSB-AUUYWEPGSA-N 2 0 340.458 3.441 10 0 EGAERP CC(C)Cc1ncc(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)s1 ZINC000178785388 323360509 /nfs/dbraw/zinc/36/05/09/323360509.db2.gz JFALWXHOJCBPKB-IYBDPMFKSA-N 2 0 339.549 3.321 10 0 EGAERP C[N@H+](CCCN[C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000382623710 324252812 /nfs/dbraw/zinc/25/28/12/324252812.db2.gz HHDUOHUPSZMJAO-PCCBWWKXSA-N 2 0 329.532 3.409 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1Cc2ccccc2O1 ZINC000398032839 324295834 /nfs/dbraw/zinc/29/58/34/324295834.db2.gz OBLNSSBICIKZJH-UIFIKXQLSA-N 2 0 336.479 3.490 10 0 EGAERP C[C@@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1ccnc1 ZINC000580081708 325200896 /nfs/dbraw/zinc/20/08/96/325200896.db2.gz XYYSJHWHXSIAAK-HKUYNNGSSA-N 2 0 340.471 3.005 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809157 460567935 /nfs/dbraw/zinc/56/79/35/460567935.db2.gz MHLZSOXWOHHQJW-CRAIPNDOSA-N 2 0 328.460 3.009 10 0 EGAERP C[NH+]1CCC(N(Cc2ccccc2)C(=O)c2ccn3c[nH+]cc3c2)CC1 ZINC000095432840 454211475 /nfs/dbraw/zinc/21/14/75/454211475.db2.gz MQQPTLRBCGBECM-UHFFFAOYSA-N 2 0 348.450 3.071 10 0 EGAERP C[C@@H](Cc1ccccc1)C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000132700369 454359470 /nfs/dbraw/zinc/35/94/70/454359470.db2.gz KMGGTYDLRSXTIE-IBGZPJMESA-N 2 0 330.516 3.442 10 0 EGAERP O=C(OC1CC[NH+](Cc2ccsc2)CC1)c1ccn2c[nH+]cc2c1 ZINC000097034328 454391345 /nfs/dbraw/zinc/39/13/45/454391345.db2.gz HVYRNWXTTGHRMI-UHFFFAOYSA-N 2 0 341.436 3.217 10 0 EGAERP COc1cccc([C@H](C)[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000079406289 454410379 /nfs/dbraw/zinc/41/03/79/454410379.db2.gz UWRPUAKJZCFAJG-KRWDZBQOSA-N 2 0 332.488 3.191 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@@H](C)c2ccc(F)cc2)CC1 ZINC000047978616 454428714 /nfs/dbraw/zinc/42/87/14/454428714.db2.gz VMPUXGMJFRIAFW-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCN2C2CCCCC2)cc1 ZINC000623614399 460641112 /nfs/dbraw/zinc/64/11/12/460641112.db2.gz CQTJUFJKHLXSQV-HXUWFJFHSA-N 2 0 345.531 3.124 10 0 EGAERP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+]1[C@H](C)CC[C@H]1C ZINC000101635001 454477796 /nfs/dbraw/zinc/47/77/96/454477796.db2.gz BOZVDSIUXIKTPO-ZACQAIPSSA-N 2 0 329.488 3.482 10 0 EGAERP O=C(CC[N@@H+]1CC[C@@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000122084575 454507517 /nfs/dbraw/zinc/50/75/17/454507517.db2.gz PMJXCBOPYJJNMU-HNNXBMFYSA-N 2 0 327.403 3.228 10 0 EGAERP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)[C@H]21 ZINC000634997861 460644121 /nfs/dbraw/zinc/64/41/21/460644121.db2.gz UXPOAHJINDYOIG-SJNYQBBSSA-N 2 0 347.300 3.065 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@H](C)C1 ZINC000081096799 454687185 /nfs/dbraw/zinc/68/71/85/454687185.db2.gz VFJQAULGJMGZJF-RHSMWYFYSA-N 2 0 344.455 3.382 10 0 EGAERP COc1cc(OC)c(CN2CCC(C[NH+]3CCCC3)CC2)c(OC)c1 ZINC000152680169 454711476 /nfs/dbraw/zinc/71/14/76/454711476.db2.gz MZLYPQFJYCVLBJ-UHFFFAOYSA-N 2 0 348.487 3.020 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000093639163 454725456 /nfs/dbraw/zinc/72/54/56/454725456.db2.gz QVIQNLLEUNITGV-HIFRSBDPSA-N 2 0 342.430 3.459 10 0 EGAERP COc1ccc(OCC[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246408070 455485256 /nfs/dbraw/zinc/48/52/56/455485256.db2.gz BIGIPANUCLNFQE-JXFKEZNVSA-N 2 0 330.472 3.023 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]3CCC[NH+]3C[C@@H]2C)cc1)C(C)C ZINC000113222533 454918173 /nfs/dbraw/zinc/91/81/73/454918173.db2.gz VRAUUTCHVUVRDW-FXAWDEMLSA-N 2 0 343.515 3.226 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000167793172 454924283 /nfs/dbraw/zinc/92/42/83/454924283.db2.gz DHPNENKZVNUWOI-INIZCTEOSA-N 2 0 337.467 3.101 10 0 EGAERP Cc1nc(C(C)C)sc1[C@@H](C)NC[C@H](O)C[NH+]1CCCCC1 ZINC000151264143 454960496 /nfs/dbraw/zinc/96/04/96/454960496.db2.gz PDFMJEXARJJRPU-HIFRSBDPSA-N 2 0 325.522 3.072 10 0 EGAERP CCSCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000119186270 455130756 /nfs/dbraw/zinc/13/07/56/455130756.db2.gz YQKIIMQSEJCZJD-LJQANCHMSA-N 2 0 336.545 3.117 10 0 EGAERP Cn1cc(C[NH+]2CCC(Cc3nccn3C)CC2)c(-c2ccccc2)n1 ZINC000180116384 455134480 /nfs/dbraw/zinc/13/44/80/455134480.db2.gz ZXQIEXIDHDPGIM-UHFFFAOYSA-N 2 0 349.482 3.275 10 0 EGAERP CCOc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2C)ccc1OC ZINC000180125956 455136432 /nfs/dbraw/zinc/13/64/32/455136432.db2.gz OSDQTEWTORAXKS-KRWDZBQOSA-N 2 0 329.444 3.263 10 0 EGAERP C[N@H+](CCOC(C)(C)C)[C@H]1CCC[NH+](CCOC(C)(C)C)CC1 ZINC000156963931 455159001 /nfs/dbraw/zinc/15/90/01/455159001.db2.gz AVKJKGJCPJZCDA-KRWDZBQOSA-N 2 0 328.541 3.403 10 0 EGAERP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245381008 455282792 /nfs/dbraw/zinc/28/27/92/455282792.db2.gz BOZVDSIUXIKTPO-IXDOHACOSA-N 2 0 329.488 3.482 10 0 EGAERP CC(=O)Nc1ccc([C@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000181948386 455403078 /nfs/dbraw/zinc/40/30/78/455403078.db2.gz NHPOSPYAWFULOQ-HNNXBMFYSA-N 2 0 338.455 3.360 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@@H+](CC(=O)N(C)[C@H](C)CC(C)C)C2)[nH+]1 ZINC000246136040 455433678 /nfs/dbraw/zinc/43/36/78/455433678.db2.gz NEKJUGVVMAMXRP-MSOLQXFVSA-N 2 0 346.519 3.017 10 0 EGAERP C[C@@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000246840421 455529178 /nfs/dbraw/zinc/52/91/78/455529178.db2.gz CDEVSQYGTGHRSV-ZWKOTPCHSA-N 2 0 333.520 3.152 10 0 EGAERP CCc1cccc(CC)c1NC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000247028127 455546755 /nfs/dbraw/zinc/54/67/55/455546755.db2.gz UUJAMNNYLQIBEH-YJBOKZPZSA-N 2 0 331.504 3.164 10 0 EGAERP Cc1ccc2[nH+]ccc(N(C)CC3CC[NH+](C[C@H](C)O)CC3)c2c1 ZINC000185643582 455588816 /nfs/dbraw/zinc/58/88/16/455588816.db2.gz JKAGSIYFCVCZHM-INIZCTEOSA-N 2 0 327.472 3.072 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCN(C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000247366138 455592609 /nfs/dbraw/zinc/59/26/09/455592609.db2.gz RDLDDNZXQBERDI-RTBURBONSA-N 2 0 348.531 3.213 10 0 EGAERP COc1ccc(-c2cnc(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)o2)cc1 ZINC000247975794 455662728 /nfs/dbraw/zinc/66/27/28/455662728.db2.gz HUNGMBUNWZDZLI-FUHWJXTLSA-N 2 0 341.455 3.266 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1COC2(CCCC2)O1 ZINC000271686186 455722157 /nfs/dbraw/zinc/72/21/57/455722157.db2.gz JWPYBIOPKRJGKW-MISYRCLQSA-N 2 0 344.499 3.172 10 0 EGAERP C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000250125536 455785631 /nfs/dbraw/zinc/78/56/31/455785631.db2.gz WBZRGKPOKBLMTM-PWRODBHTSA-N 2 0 327.516 3.258 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)[C@H](C)C1 ZINC000280218176 455920116 /nfs/dbraw/zinc/92/01/16/455920116.db2.gz JMLUJALWJYYSPG-PBHICJAKSA-N 2 0 347.894 3.083 10 0 EGAERP CCn1ccnc1C[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000296569627 455977163 /nfs/dbraw/zinc/97/71/63/455977163.db2.gz SUYAKTLYKCSGTN-UHFFFAOYSA-N 2 0 326.488 3.436 10 0 EGAERP C[N@H+](CC1(c2ccc(Br)cc2)CC1)C[C@@]1(C)CC[NH2+]C1 ZINC000262022263 455986529 /nfs/dbraw/zinc/98/65/29/455986529.db2.gz NGWOHRJQWJRFAA-INIZCTEOSA-N 2 0 337.305 3.412 10 0 EGAERP CC(=O)NC1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000236639067 456162284 /nfs/dbraw/zinc/16/22/84/456162284.db2.gz KCQYFPYIIBWOBJ-UHFFFAOYSA-N 2 0 343.515 3.209 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnn2-c2ccccc2OC)[C@H](C)C1 ZINC000281272738 456185245 /nfs/dbraw/zinc/18/52/45/456185245.db2.gz YPBPGOYVKXSZCH-SJLPKXTDSA-N 2 0 342.487 3.043 10 0 EGAERP CCc1cc(N2CC[N@H+](C[C@H](C)O)[C@H](CC)C2)c2ccccc2[nH+]1 ZINC000301775120 456211121 /nfs/dbraw/zinc/21/11/21/456211121.db2.gz GFADBIDPGWZVRQ-DOTOQJQBSA-N 2 0 327.472 3.079 10 0 EGAERP CCc1cc(NC2CCN(CC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000301807649 456219770 /nfs/dbraw/zinc/21/97/70/456219770.db2.gz WBZUPHLCYJOWHB-UHFFFAOYSA-N 2 0 326.488 3.235 10 0 EGAERP C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@@H]1c1cccs1 ZINC000237117335 456234412 /nfs/dbraw/zinc/23/44/12/456234412.db2.gz SRWUTCIZROESHH-FUHWJXTLSA-N 2 0 343.496 3.020 10 0 EGAERP C[N@@H+]1CCN([C@H]2CC[NH+](Cc3ccccc3)C2)C[C@@H]1Cc1ccccc1 ZINC000297557817 456252480 /nfs/dbraw/zinc/25/24/80/456252480.db2.gz GYYSNQRGNSPONB-GOTSBHOMSA-N 2 0 349.522 3.120 10 0 EGAERP O[C@H](C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000310357264 456582079 /nfs/dbraw/zinc/58/20/79/456582079.db2.gz IQKSHPBBMLGWNY-SFTDATJTSA-N 2 0 330.516 3.429 10 0 EGAERP C[C@@H]1C[C@@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC[N@@H+]1C ZINC000658320040 462476970 /nfs/dbraw/zinc/47/69/70/462476970.db2.gz MLZCUWRJMQQBQT-NRSPTQNISA-N 2 0 341.543 3.361 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)[C@@H](C)C1 ZINC000282715419 456600903 /nfs/dbraw/zinc/60/09/03/456600903.db2.gz BSJDRGJZXMFDOC-WMLDXEAASA-N 2 0 332.517 3.311 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@H]2C2CCC2)CC1 ZINC000337984130 456637961 /nfs/dbraw/zinc/63/79/61/456637961.db2.gz ATENYSAMIGOVAU-SFTDATJTSA-N 2 0 328.500 3.312 10 0 EGAERP Clc1cc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322113001 456644584 /nfs/dbraw/zinc/64/45/84/456644584.db2.gz PFVSOFPEFMCRIJ-HOCLYGCPSA-N 2 0 336.863 3.075 10 0 EGAERP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)n1 ZINC000353408591 456681671 /nfs/dbraw/zinc/68/16/71/456681671.db2.gz ZORRHSRZAMTFNU-SFHLNBCPSA-N 2 0 338.499 3.452 10 0 EGAERP CCc1nccn1[C@@H]1CCCN(Cc2ccc([S@](C)=O)cc2)C1 ZINC000353511493 456725267 /nfs/dbraw/zinc/72/52/67/456725267.db2.gz BOSZYFOUBABWIG-MWTRTKDXSA-N 2 0 331.485 3.020 10 0 EGAERP C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000349309675 456938304 /nfs/dbraw/zinc/93/83/04/456938304.db2.gz DYEWJSGEKPOZAI-KSSFIOAISA-N 2 0 334.485 3.073 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CC[N@H+](C4CCOCC4)C[C@H]3C)c2c1 ZINC000362843139 457119951 /nfs/dbraw/zinc/11/99/51/457119951.db2.gz NUAGXIWGRXTONO-MRXNPFEDSA-N 2 0 325.456 3.233 10 0 EGAERP CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C)c(Oc3ccncc3)c2)C1 ZINC000359917272 457146941 /nfs/dbraw/zinc/14/69/41/457146941.db2.gz RTHKRZQIBOABLN-MRXNPFEDSA-N 2 0 339.439 3.254 10 0 EGAERP O=C(C[N@@H+]1CCC[C@@H]1CCC1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000362953516 457172477 /nfs/dbraw/zinc/17/24/77/457172477.db2.gz ZSRZRWAUHRGPDE-LJQANCHMSA-N 2 0 347.547 3.164 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+](CC)CC2CC2)CC1 ZINC000356890420 457201040 /nfs/dbraw/zinc/20/10/40/457201040.db2.gz GVEUZUPQXCBPQU-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000354404105 457201650 /nfs/dbraw/zinc/20/16/50/457201650.db2.gz MOLBXWIEYXOGTJ-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP OCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cc1 ZINC000386208577 457428513 /nfs/dbraw/zinc/42/85/13/457428513.db2.gz MKXPCXVCBPBKPZ-BHIFYINESA-N 2 0 336.479 3.179 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@H](C)C1 ZINC000397571576 457488176 /nfs/dbraw/zinc/48/81/76/457488176.db2.gz YVCUWUXNKYSJQI-GGPKGHCWSA-N 2 0 330.516 3.428 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H](C)[C@H]2CC[NH2+]C2)cc1Br ZINC000400345718 457513023 /nfs/dbraw/zinc/51/30/23/457513023.db2.gz HDFHSWXZNMKQKW-LOWVWBTDSA-N 2 0 327.266 3.106 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCSC[C@@H]1CCO ZINC000361319707 457691317 /nfs/dbraw/zinc/69/13/17/457691317.db2.gz WKZSUVYQEFFJRO-KRWDZBQOSA-N 2 0 347.528 3.315 10 0 EGAERP C[C@@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@@H]2C)CC1 ZINC000357913206 457732125 /nfs/dbraw/zinc/73/21/25/457732125.db2.gz HBXPYOIRKZJAQX-QYZOEREBSA-N 2 0 343.515 3.012 10 0 EGAERP CN(C)c1cc[nH+]cc1CNc1cccc2c1OCC[C@@H]2[NH+](C)C ZINC000433201172 457778766 /nfs/dbraw/zinc/77/87/66/457778766.db2.gz KVBOQVOCAJIWDL-SFHVURJKSA-N 2 0 326.444 3.145 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1NC1CC([NH+]2CCCCC2)C1 ZINC000366284204 457804117 /nfs/dbraw/zinc/80/41/17/457804117.db2.gz OKZZRQXMVJXDPZ-RLHVNXBHSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@H](Cc1ccccc1)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375405994 457918897 /nfs/dbraw/zinc/91/88/97/457918897.db2.gz URVPOOFVTZRXFS-HXUWFJFHSA-N 2 0 343.559 3.215 10 0 EGAERP CC(C)NC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375844047 458091806 /nfs/dbraw/zinc/09/18/06/458091806.db2.gz ZJGCYJSHWTUFJI-IPMKNSEASA-N 2 0 344.503 3.179 10 0 EGAERP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000447539479 458307874 /nfs/dbraw/zinc/30/78/74/458307874.db2.gz AMNIKKSRUVHDSA-PPQDBTBKSA-N 2 0 327.516 3.254 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@@H](c1ccc(Br)cc1)C1CC1 ZINC000447599948 458318864 /nfs/dbraw/zinc/31/88/64/458318864.db2.gz KZRKZFKSQQYDFF-MRXNPFEDSA-N 2 0 341.293 3.068 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(NC3CC[NH+](C4CC4)CC3)c2)C[C@H](C)O1 ZINC000459349298 458339657 /nfs/dbraw/zinc/33/96/57/458339657.db2.gz AXZKQQSGCGOJPG-CALCHBBNSA-N 2 0 343.515 3.335 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CC2(OC)CCC2)[C@H](C)C1 ZINC000429541130 458342383 /nfs/dbraw/zinc/34/23/83/458342383.db2.gz VAWSENGFCCWLAG-KURKYZTESA-N 2 0 326.525 3.061 10 0 EGAERP C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000376595190 458348356 /nfs/dbraw/zinc/34/83/56/458348356.db2.gz LDMUVZZNNHYHNS-QHGAOEGBSA-N 2 0 345.531 3.295 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)[C@@H](C)C1 ZINC000429801044 458372807 /nfs/dbraw/zinc/37/28/07/458372807.db2.gz GAZDQDBGOMLZCH-KSSFIOAISA-N 2 0 335.467 3.125 10 0 EGAERP [NH3+]C[C@@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000423512113 458446907 /nfs/dbraw/zinc/44/69/07/458446907.db2.gz UODMSAMUIJMLPS-PLACYPQZSA-N 2 0 327.516 3.289 10 0 EGAERP CCCOc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423523434 458451387 /nfs/dbraw/zinc/45/13/87/458451387.db2.gz VUTUWHCUHPWEEO-KKXNLOMOSA-N 2 0 345.531 3.342 10 0 EGAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000459731281 458460682 /nfs/dbraw/zinc/46/06/82/458460682.db2.gz LFHFFTACXVJHAX-AWEZNQCLSA-N 2 0 330.394 3.449 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)OC)c1 ZINC000530206321 458716557 /nfs/dbraw/zinc/71/65/57/458716557.db2.gz ANJISLHSVTYRQZ-NMLBUPMWSA-N 2 0 332.488 3.283 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@H]1C ZINC000495067025 458792339 /nfs/dbraw/zinc/79/23/39/458792339.db2.gz HQNCFMPUAWAJTN-LLGFUMIMSA-N 2 0 346.515 3.310 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518183569 458847553 /nfs/dbraw/zinc/84/75/53/458847553.db2.gz HXUOYPCEIZYGMC-YFVAEKQCSA-N 2 0 339.527 3.256 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)[C@H]2CCC[C@H]21 ZINC000556871901 459026101 /nfs/dbraw/zinc/02/61/01/459026101.db2.gz NEDUEFYXBMHSOY-HYVNUMGLSA-N 2 0 337.305 3.454 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000594505666 459066900 /nfs/dbraw/zinc/06/69/00/459066900.db2.gz ZLNDXHNMOHPZCF-HXUWFJFHSA-N 2 0 342.483 3.315 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)CCC2 ZINC000594521326 459078378 /nfs/dbraw/zinc/07/83/78/459078378.db2.gz PEKQUPJNBVYPEV-BEFAXECRSA-N 2 0 330.472 3.172 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)C2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000594585169 459097388 /nfs/dbraw/zinc/09/73/88/459097388.db2.gz QKWANSKTEZSICI-KGLIPLIRSA-N 2 0 346.462 3.111 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944430 459186051 /nfs/dbraw/zinc/18/60/51/459186051.db2.gz PXCZUXGRSJKYFO-GSEOLPGOSA-N 2 0 344.499 3.076 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944432 459187481 /nfs/dbraw/zinc/18/74/81/459187481.db2.gz PXCZUXGRSJKYFO-MTFMMBMASA-N 2 0 344.499 3.076 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1)C1CCCCCC1 ZINC000541566160 459467834 /nfs/dbraw/zinc/46/78/34/459467834.db2.gz ZWWJRBNTOFPIMH-KRWDZBQOSA-N 2 0 345.531 3.427 10 0 EGAERP CC(C)(C)OC(=O)[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000596117817 459526737 /nfs/dbraw/zinc/52/67/37/459526737.db2.gz JSHGMUCNKHDWKH-SFHVURJKSA-N 2 0 336.520 3.208 10 0 EGAERP CSC1(C[NH2+]Cc2cnn(-c3ccccc3C)c2)CC[NH+](C)CC1 ZINC000592368087 459581374 /nfs/dbraw/zinc/58/13/74/459581374.db2.gz IPQKMVZYRGFBOE-UHFFFAOYSA-N 2 0 344.528 3.098 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccc(C)cc3)CCC2)CC[NH2+]CC1 ZINC000592470866 459608504 /nfs/dbraw/zinc/60/85/04/459608504.db2.gz NJRAPYDMFXDWBC-KRWDZBQOSA-N 2 0 344.499 3.285 10 0 EGAERP C[C@H]1C[N@H+](CCOc2ccc(CC[NH2+]CC3(F)CC3)cc2)C[C@H]1C ZINC000527232807 459611957 /nfs/dbraw/zinc/61/19/57/459611957.db2.gz BYJQVHVXEOCOPA-CALCHBBNSA-N 2 0 334.479 3.287 10 0 EGAERP Brc1sccc1CNCc1cnc2n1CCCC2 ZINC000527705018 459708304 /nfs/dbraw/zinc/70/83/04/459708304.db2.gz JNBFXZRQDXYNOH-UHFFFAOYSA-N 2 0 326.263 3.333 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@@H]2CCN2C2CCCC2)C1 ZINC000527810192 459746154 /nfs/dbraw/zinc/74/61/54/459746154.db2.gz VCCXGUIZHDQKRT-QFUCXCTJSA-N 2 0 327.516 3.428 10 0 EGAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]CCN2CC=C(C)CC2)c1C ZINC000545868480 459864260 /nfs/dbraw/zinc/86/42/60/459864260.db2.gz NYWWAORGYOXJPG-KRWDZBQOSA-N 2 0 329.488 3.262 10 0 EGAERP CCn1nccc1CC[N@@H+]1CCCC[C@H]1[C@H](C[NH3+])Cc1ccccc1 ZINC000621775030 460058892 /nfs/dbraw/zinc/05/88/92/460058892.db2.gz DBSYJIUFRWQURE-FPOVZHCZSA-N 2 0 340.515 3.118 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(C)ccn1 ZINC000631604079 460470267 /nfs/dbraw/zinc/47/02/67/460470267.db2.gz YKKLVHJKDOSZDD-SFHVURJKSA-N 2 0 342.487 3.356 10 0 EGAERP COc1ccccc1[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623337412 460495885 /nfs/dbraw/zinc/49/58/85/460495885.db2.gz JBZZKNURCOIHQE-PKOBYXMFSA-N 2 0 345.531 3.295 10 0 EGAERP COc1ccc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000634733035 460498104 /nfs/dbraw/zinc/49/81/04/460498104.db2.gz VSFFETMJNRSIIT-ZDUSSCGKSA-N 2 0 341.293 3.326 10 0 EGAERP CC1(C)C[NH2+]CC[C@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000634732534 460498238 /nfs/dbraw/zinc/49/82/38/460498238.db2.gz IPPUCZXTYPVZBN-ZDUSSCGKSA-N 2 0 334.414 3.223 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623403617 460530537 /nfs/dbraw/zinc/53/05/37/460530537.db2.gz AUQOLXGXUADUSO-UHFFFAOYSA-N 2 0 334.357 3.198 10 0 EGAERP C[N@@H+]1CC[C@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)CC1(C)C ZINC000623947944 460790713 /nfs/dbraw/zinc/79/07/13/460790713.db2.gz XDFBMCZLQHWWIA-IBGZPJMESA-N 2 0 345.531 3.176 10 0 EGAERP C[C@@H](CCc1ccc(C(F)(F)F)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521289 460794579 /nfs/dbraw/zinc/79/45/79/460794579.db2.gz PINOFTLTWYWUEX-ZDUSSCGKSA-N 2 0 330.394 3.124 10 0 EGAERP C(CC1CC[NH2+]CC1)C[NH+]1CCC(Cc2nc(C3CCC3)no2)CC1 ZINC000629580389 460812700 /nfs/dbraw/zinc/81/27/00/460812700.db2.gz ACQKTVRVPHPBGE-UHFFFAOYSA-N 2 0 346.519 3.371 10 0 EGAERP c1cc(C[NH2+]CC2CC[NH+](C3CC3)CC2)n(CCc2ccccc2)n1 ZINC000621350535 461002037 /nfs/dbraw/zinc/00/20/37/461002037.db2.gz LSHHLQUTXJKFSI-UHFFFAOYSA-N 2 0 338.499 3.090 10 0 EGAERP CC[C@@H](C(=O)Nc1nc2ccc(C[N@H+](C)C3CC3)cc2s1)[NH+](C)C ZINC000617866523 461008281 /nfs/dbraw/zinc/00/82/81/461008281.db2.gz PILZHXGODZAEMS-HNNXBMFYSA-N 2 0 346.500 3.169 10 0 EGAERP C[C@@]1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCS1 ZINC000628198637 461046527 /nfs/dbraw/zinc/04/65/27/461046527.db2.gz FXAIBVCHKWAUOF-IBGZPJMESA-N 2 0 334.529 3.019 10 0 EGAERP C[C@@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662251066 461145759 /nfs/dbraw/zinc/14/57/59/461145759.db2.gz XIIBRAWZVIEXHF-WFASDCNBSA-N 2 0 328.378 3.219 10 0 EGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652361800 461154545 /nfs/dbraw/zinc/15/45/45/461154545.db2.gz PMWWWNYTYWRGHV-QKNQBKEWSA-N 2 0 346.515 3.433 10 0 EGAERP Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1 ZINC000662321274 461193593 /nfs/dbraw/zinc/19/35/93/461193593.db2.gz QLIADWFJVABMTH-LJQANCHMSA-N 2 0 334.504 3.115 10 0 EGAERP CC(C)CC[NH+]1CCC(CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662492412 461268553 /nfs/dbraw/zinc/26/85/53/461268553.db2.gz JXDJPFXLUQKUAH-HXUWFJFHSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@@H](C)O1 ZINC000649721038 461304427 /nfs/dbraw/zinc/30/44/27/461304427.db2.gz IVNXPUSAPDFWIS-VJQWSGFBSA-N 2 0 328.500 3.443 10 0 EGAERP CC[NH+](CC)CCN(Cc1ccc(Cl)cc1)C(=O)CC[C@@H](C)[NH3+] ZINC000662653993 461338084 /nfs/dbraw/zinc/33/80/84/461338084.db2.gz AXJSIOHVYIUZCQ-OAHLLOKOSA-N 2 0 339.911 3.138 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC([C@@H]2CCCCO2)CC1 ZINC000668626898 461357756 /nfs/dbraw/zinc/35/77/56/461357756.db2.gz AQHZCVAGOSTYPZ-FQEVSTJZSA-N 2 0 340.471 3.357 10 0 EGAERP C[N@H+](CCC(=O)N1CCC(C)([NH+]2CCCC2)CC1)C1CCCCC1 ZINC000633964070 461361114 /nfs/dbraw/zinc/36/11/14/461361114.db2.gz LLTVTIJEKCSZLA-UHFFFAOYSA-N 2 0 335.536 3.118 10 0 EGAERP C[NH+](C)CCC[C@H]1CN(Cc2ccccc2OCC2CC2)CCO1 ZINC000668784250 461433350 /nfs/dbraw/zinc/43/33/50/461433350.db2.gz DRZXJLMJKSKWRB-IBGZPJMESA-N 2 0 332.488 3.018 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655804106 461464578 /nfs/dbraw/zinc/46/45/78/461464578.db2.gz PRLHHPDFNUVUOM-DUVNUKRYSA-N 2 0 325.294 3.310 10 0 EGAERP Cc1scc(C[NH2+][C@@H](CN2CC[NH+](C)CC2)c2ccccc2)c1C ZINC000631061855 461513486 /nfs/dbraw/zinc/51/34/86/461513486.db2.gz KIAJRYWRAZCALY-FQEVSTJZSA-N 2 0 343.540 3.443 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647171420 461540408 /nfs/dbraw/zinc/54/04/08/461540408.db2.gz JNFSGNLLSSPSGK-KRWDZBQOSA-N 2 0 327.476 3.012 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647171322 461540886 /nfs/dbraw/zinc/54/08/86/461540886.db2.gz FXVFFUUNQSTGSW-HDICACEKSA-N 2 0 341.503 3.115 10 0 EGAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCc3c(F)cccc3F)CC2)C1 ZINC000655940652 461546646 /nfs/dbraw/zinc/54/66/46/461546646.db2.gz VHXASQAJLBZQQP-BEFAXECRSA-N 2 0 338.442 3.116 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccncc2Br)CC1 ZINC000631100477 461549228 /nfs/dbraw/zinc/54/92/28/461549228.db2.gz YVEIVJQQKLKQMX-UHFFFAOYSA-N 2 0 326.282 3.054 10 0 EGAERP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n(CC2CCC2)n1 ZINC000631104748 461554159 /nfs/dbraw/zinc/55/41/59/461554159.db2.gz JFTHPZSZMUTZCI-UHFFFAOYSA-N 2 0 339.487 3.084 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCO[C@@H](C(F)(F)F)C2)[C@H](c2ccccc2)C1 ZINC000647249319 461587577 /nfs/dbraw/zinc/58/75/77/461587577.db2.gz RMFRXAUPYDPFPM-LTIDMASMSA-N 2 0 342.405 3.031 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@H]2CCC[C@H]21 ZINC000647321369 461631569 /nfs/dbraw/zinc/63/15/69/461631569.db2.gz LEOFTZQCLZVPPJ-WCXIOVBPSA-N 2 0 332.513 3.392 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@@H]1CN[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000631195119 461634689 /nfs/dbraw/zinc/63/46/89/461634689.db2.gz TTZRGJLGQFXWAO-HOJAQTOUSA-N 2 0 329.532 3.217 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000647343188 461647108 /nfs/dbraw/zinc/64/71/08/461647108.db2.gz HFWWVZVMNXYTTA-ZJPYXAASSA-N 2 0 326.525 3.059 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1([C@@H]2CCCCO2)CCC1 ZINC000631246496 461673470 /nfs/dbraw/zinc/67/34/70/461673470.db2.gz WGYFQFLZLUSSHX-IBGZPJMESA-N 2 0 340.471 3.405 10 0 EGAERP C[C@@H]1C[C@@H](C[N@@H+]2CCOc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000663501756 461675213 /nfs/dbraw/zinc/67/52/13/461675213.db2.gz AFIJNMGZZPRPHN-OLZOCXBDSA-N 2 0 339.277 3.032 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000663503059 461676641 /nfs/dbraw/zinc/67/66/41/461676641.db2.gz NCFJWEQMPNCZPL-IUODEOHRSA-N 2 0 345.409 3.386 10 0 EGAERP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2ccnn2C)c1 ZINC000647479371 461723802 /nfs/dbraw/zinc/72/38/02/461723802.db2.gz DOLLCGWEPLPRET-QUCCMNQESA-N 2 0 338.499 3.360 10 0 EGAERP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2ccnn2C)c1 ZINC000647479372 461724747 /nfs/dbraw/zinc/72/47/47/461724747.db2.gz DOLLCGWEPLPRET-UYAOXDASSA-N 2 0 338.499 3.360 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647542879 461757283 /nfs/dbraw/zinc/75/72/83/461757283.db2.gz DHFSOZBDVJGEHN-IRXDYDNUSA-N 2 0 342.512 3.417 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2noc3ccccc23)[C@@H](C)C1 ZINC000653619962 461765025 /nfs/dbraw/zinc/76/50/25/461765025.db2.gz JYGILSFFHTXCJA-FUHWJXTLSA-N 2 0 345.487 3.097 10 0 EGAERP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647789773 461835940 /nfs/dbraw/zinc/83/59/40/461835940.db2.gz LGRZXXQIKZVBLN-BIAAXOCRSA-N 2 0 327.255 3.405 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+]CCC[C@H]3CCO3)C3(CCC3)C2)cc1 ZINC000639328724 461863747 /nfs/dbraw/zinc/86/37/47/461863747.db2.gz JMQIILJYJKBZRP-PMACEKPBSA-N 2 0 328.500 3.447 10 0 EGAERP COc1cc2c(c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c1)O[C@H](C)C2 ZINC000656785505 461896039 /nfs/dbraw/zinc/89/60/39/461896039.db2.gz KXKNDZXSGJXQRL-WBVHZDCISA-N 2 0 344.499 3.230 10 0 EGAERP CCCOc1ccc(Br)cc1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650711771 461905482 /nfs/dbraw/zinc/90/54/82/461905482.db2.gz DBMRXGHOFAVHJS-UHFFFAOYSA-N 2 0 341.293 3.457 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713077 461907176 /nfs/dbraw/zinc/90/71/76/461907176.db2.gz DOFAHPFBEWISNQ-GFCCVEGCSA-N 2 0 343.393 3.141 10 0 EGAERP CC[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](CC)[C@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874089 461910265 /nfs/dbraw/zinc/91/02/65/461910265.db2.gz AWYSCRGEASISFR-UHAVEOKRSA-N 2 0 338.536 3.417 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)c(OC)c1Cl ZINC000650719582 461911344 /nfs/dbraw/zinc/91/13/44/461911344.db2.gz VGLYBORZPCGUAK-UHFFFAOYSA-N 2 0 334.847 3.366 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000650719087 461911769 /nfs/dbraw/zinc/91/17/69/461911769.db2.gz CPUISRPWHZETHN-CQSZACIVSA-N 2 0 329.419 3.052 10 0 EGAERP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650746841 461930413 /nfs/dbraw/zinc/93/04/13/461930413.db2.gz MGVUKDWMQSXFCJ-LJQANCHMSA-N 2 0 325.456 3.093 10 0 EGAERP CC[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(c3cccc(C)c3)CC2)CO1 ZINC000657301319 462027745 /nfs/dbraw/zinc/02/77/45/462027745.db2.gz ZUUXLRPJNWVXIJ-CTNGQTDRSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000657439135 462124452 /nfs/dbraw/zinc/12/44/52/462124452.db2.gz UVMVPVCIASQKDT-SFHVURJKSA-N 2 0 329.532 3.460 10 0 EGAERP c1nn2c(c1CNC[C@H]1CCCC[N@H+](Cc3ccccc3)C1)CCC2 ZINC000657469988 462143643 /nfs/dbraw/zinc/14/36/43/462143643.db2.gz LLRNWEYOKRQLSA-LJQANCHMSA-N 2 0 338.499 3.221 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC1CC[NH+](CCc2ccccc2)CC1 ZINC000657526262 462168561 /nfs/dbraw/zinc/16/85/61/462168561.db2.gz FFTHKXVYBUOSGR-FQEVSTJZSA-N 2 0 329.532 3.156 10 0 EGAERP CC(C)Oc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657535303 462170495 /nfs/dbraw/zinc/17/04/95/462170495.db2.gz JAJHVJNAPXIGHR-UHFFFAOYSA-N 2 0 346.515 3.454 10 0 EGAERP Cc1cccc2[nH]c(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)cc21 ZINC000657538390 462171910 /nfs/dbraw/zinc/17/19/10/462171910.db2.gz ZYQHNNXLSBLIKT-UHFFFAOYSA-N 2 0 341.499 3.457 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccccc1C(F)(F)F ZINC000657573656 462187339 /nfs/dbraw/zinc/18/73/39/462187339.db2.gz NRYXUBBYKHLTLH-AWEZNQCLSA-N 2 0 331.426 3.067 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4ccccc4[nH]3)cc2)C1 ZINC000657594911 462197476 /nfs/dbraw/zinc/19/74/76/462197476.db2.gz FIHQYHMJIMAFME-FQEVSTJZSA-N 2 0 335.451 3.024 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C/C=C\c3ccc(F)cc3)cc2)C1 ZINC000657595403 462197986 /nfs/dbraw/zinc/19/79/86/462197986.db2.gz ICXOSTMXHUAPDS-MLBSJROLSA-N 2 0 340.442 3.195 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)[C@@H](C)C1 ZINC000667666842 462201275 /nfs/dbraw/zinc/20/12/75/462201275.db2.gz ZIBRBXZOYHAFHG-DBVUQKKJSA-N 2 0 332.488 3.016 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@H](Oc2ccccc2)C1 ZINC000657645909 462215316 /nfs/dbraw/zinc/21/53/16/462215316.db2.gz MYROUBUPQJHODX-IRJFHVNHSA-N 2 0 334.423 3.275 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CCC[C@H]2O)cc1 ZINC000648715018 462242678 /nfs/dbraw/zinc/24/26/78/462242678.db2.gz ZLOKLGXDWPXBQI-PWRODBHTSA-N 2 0 346.515 3.143 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771550 462259738 /nfs/dbraw/zinc/25/97/38/462259738.db2.gz CVZPVLRGIPITQM-RLLQIKCJSA-N 2 0 328.500 3.446 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667789111 462263255 /nfs/dbraw/zinc/26/32/55/462263255.db2.gz FGHKUJUPNWQMTM-AZUAARDMSA-N 2 0 332.488 3.064 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000657829182 462286723 /nfs/dbraw/zinc/28/67/23/462286723.db2.gz AAJWLYCKNNCYQE-SFHVURJKSA-N 2 0 326.525 3.062 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658069359 462366028 /nfs/dbraw/zinc/36/60/28/462366028.db2.gz OCYLMPZDAQEJQE-MRXNPFEDSA-N 2 0 332.488 3.237 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C(CC(C)C)CC(C)C)CC1 ZINC000665285236 462384782 /nfs/dbraw/zinc/38/47/82/462384782.db2.gz HLBSUKHNAVKZJI-UHFFFAOYSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@@H]2CCC[C@H]21 ZINC000658124910 462394970 /nfs/dbraw/zinc/39/49/70/462394970.db2.gz RJODNOSYIREXMS-JONQDZQNSA-N 2 0 334.426 3.339 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)n1 ZINC000658136475 462401104 /nfs/dbraw/zinc/40/11/04/462401104.db2.gz HBSBNLUINTWGHP-OXJNMPFZSA-N 2 0 339.483 3.116 10 0 EGAERP COc1cccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000658143273 462407343 /nfs/dbraw/zinc/40/73/43/462407343.db2.gz HBCYRSZCTNNDPM-OXQOHEQNSA-N 2 0 340.467 3.113 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652138538 462446121 /nfs/dbraw/zinc/44/61/21/462446121.db2.gz HZSNVOSYOGQXDT-FQEVSTJZSA-N 2 0 344.547 3.319 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652150254 462451194 /nfs/dbraw/zinc/45/11/94/462451194.db2.gz QKRWMSNSAHHSQR-NRFANRHFSA-N 2 0 344.547 3.320 10 0 EGAERP [NH3+][C@H](CCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1)CC1CCCCC1 ZINC000645889426 462457700 /nfs/dbraw/zinc/45/77/00/462457700.db2.gz IPIIZHRGUCEGTI-MRXNPFEDSA-N 2 0 341.459 3.284 10 0 EGAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCC[C@H]2CCOC2)CC1 ZINC000645908321 462464495 /nfs/dbraw/zinc/46/44/95/462464495.db2.gz FZRDNWGEDPBTIM-KRWDZBQOSA-N 2 0 325.456 3.174 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCOC1 ZINC000658319489 462474985 /nfs/dbraw/zinc/47/49/85/462474985.db2.gz CKYQCKLTLLMHFI-SXLOBPIMSA-N 2 0 328.500 3.303 10 0 EGAERP CCCCC[C@@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662158032 462533037 /nfs/dbraw/zinc/53/30/37/462533037.db2.gz ZHMQCTBHDXJYEX-GOSISDBHSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)COC1CC[NH+](Cc2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000092223008 546671563 /nfs/dbraw/zinc/67/15/63/546671563.db2.gz XUHIUHBEUDKNOA-UHFFFAOYSA-N 2 0 334.504 3.264 10 0 EGAERP CC[N@H+](CCc1nccs1)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093764438 546685819 /nfs/dbraw/zinc/68/58/19/546685819.db2.gz OOHXYSDAQPTMPW-UHFFFAOYSA-N 2 0 333.501 3.148 10 0 EGAERP Cc1ccc(-c2nnc(CN3CC[C@@H](C)[C@H](n4ccnc4)C3)o2)cc1 ZINC000129460226 546788384 /nfs/dbraw/zinc/78/83/84/546788384.db2.gz FWTUGVMLCWNLDV-NVXWUHKLSA-N 2 0 337.427 3.325 10 0 EGAERP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(COC2CCOCC2)c1 ZINC000166580400 546989863 /nfs/dbraw/zinc/98/98/63/546989863.db2.gz KBCJXOVKTKFLBK-VQTJNVASSA-N 2 0 344.499 3.099 10 0 EGAERP c1cn(C[C@@H]2CCC[N@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000188418823 547148989 /nfs/dbraw/zinc/14/89/89/547148989.db2.gz UJICICPBHAXJFG-ICSRJNTNSA-N 2 0 341.455 3.106 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@H]2CCC[C@@H]21 ZINC000671743362 548349811 /nfs/dbraw/zinc/34/98/11/548349811.db2.gz SDFFIWCQRQCOFM-ZXUOCUECSA-N 2 0 349.469 3.254 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCC[C@@]3(CCCOC3)C2)cc1 ZINC000678277713 549455829 /nfs/dbraw/zinc/45/58/29/549455829.db2.gz NHMAFYFZWIMGSM-HXUWFJFHSA-N 2 0 332.488 3.020 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN([C@@H]2CC[NH+](Cc3ccccc3)C2)C1 ZINC000678350390 549473877 /nfs/dbraw/zinc/47/38/77/549473877.db2.gz VZKPNTKZFZBJKI-DHIUTWEWSA-N 2 0 349.522 3.467 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cccc3cnccc32)C1 ZINC000679988620 549801791 /nfs/dbraw/zinc/80/17/91/549801791.db2.gz CBTAOMYAOWLCQI-IBGZPJMESA-N 2 0 327.472 3.168 10 0 EGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684734 576168625 /nfs/dbraw/zinc/16/86/25/576168625.db2.gz BDIQXGAGYDLFNY-QUCCMNQESA-N 2 0 331.479 3.035 10 0 EGAERP C[NH+]1CCN(Cc2ccc(C[NH2+]Cc3cc4ccccc4o3)cc2)CC1 ZINC000069785328 1292252625 /nfs/dbraw/zinc/25/26/25/1292252625.db2.gz HOOGWMHQAAUKPR-UHFFFAOYSA-N 2 0 349.478 3.470 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CCC[N@H+](C)CC1 ZINC000086817942 1292736595 /nfs/dbraw/zinc/73/65/95/1292736595.db2.gz LCVOWQJHALCINM-CZUORRHYSA-N 2 0 325.294 3.454 10 0 EGAERP C[NH2+]C1CCC([N@H+](C)Cc2ccc(OC)c(Br)c2)CC1 ZINC000091871287 1292844406 /nfs/dbraw/zinc/84/44/06/1292844406.db2.gz KEKKVHSXMRNEEJ-UHFFFAOYSA-N 2 0 341.293 3.420 10 0 EGAERP Cc1nccn1CCCC(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000103092735 1292993281 /nfs/dbraw/zinc/99/32/81/1292993281.db2.gz OXYOTXIAUSJYJO-LJQANCHMSA-N 2 0 346.519 3.086 10 0 EGAERP C[NH+](C)[C@@H](CNC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000216630858 1296120734 /nfs/dbraw/zinc/12/07/34/1296120734.db2.gz HGFCDEWVYMGZFN-IHPCNDPISA-N 2 0 343.515 3.060 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+]CCCN2CC[NH+](C)CC2)c1Cl ZINC000921508835 1322334534 /nfs/dbraw/zinc/33/45/34/1322334534.db2.gz PBBLGEZTXHWXJS-UHFFFAOYSA-N 2 0 330.303 3.029 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000871360230 1296368070 /nfs/dbraw/zinc/36/80/70/1296368070.db2.gz MTYXZNOIUYCNPV-KGXSXCIVSA-N 2 0 335.536 3.163 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC000871359275 1296368754 /nfs/dbraw/zinc/36/87/54/1296368754.db2.gz ZSFFKJLWVXTEGK-VXESANQCSA-N 2 0 335.536 3.020 10 0 EGAERP c1ccc2c(c1)CCCC[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000872040376 1296689559 /nfs/dbraw/zinc/68/95/59/1296689559.db2.gz ZLRUCPMQQZGTMS-AVRDEDQJSA-N 2 0 342.527 3.415 10 0 EGAERP Cc1cc(C)c(N2CC[C@H]([N@H+](C)CCCCCC[NH3+])C2=O)c(C)c1 ZINC000872155522 1296773209 /nfs/dbraw/zinc/77/32/09/1296773209.db2.gz OGSAXJOAESBEBY-SFHVURJKSA-N 2 0 331.504 3.168 10 0 EGAERP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1C ZINC000872227440 1296830942 /nfs/dbraw/zinc/83/09/42/1296830942.db2.gz DWHBZCWGSJPKSL-SCCNAQOGSA-N 2 0 348.531 3.204 10 0 EGAERP Cc1c(F)cccc1NC(=O)CC[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000872229706 1296834581 /nfs/dbraw/zinc/83/45/81/1296834581.db2.gz SHGMRFQSHBSRAK-UHFFFAOYSA-N 2 0 335.467 3.315 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)c1ccccc1 ZINC000305880300 1297062315 /nfs/dbraw/zinc/06/23/15/1297062315.db2.gz UIRBTLCSRJPKEI-DXBBTUNJSA-N 2 0 336.479 3.220 10 0 EGAERP c1c(C[NH2+]CC[C@H]2CCc3ccccc3N2)sc2c1C[NH2+]CC2 ZINC000873213517 1297355550 /nfs/dbraw/zinc/35/55/50/1297355550.db2.gz GALCDVJTYKIGPO-MRXNPFEDSA-N 2 0 327.497 3.300 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000873223346 1297363036 /nfs/dbraw/zinc/36/30/36/1297363036.db2.gz NMTBVVJKFUSCDM-KRGDXGBZSA-N 2 0 347.300 3.065 10 0 EGAERP c1ccc(NC2CC([NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000873295201 1297416709 /nfs/dbraw/zinc/41/67/09/1297416709.db2.gz BSLFETFYGPHITM-KLXIGZAZSA-N 2 0 349.478 3.475 10 0 EGAERP CC(C)[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000381294305 1297551251 /nfs/dbraw/zinc/55/12/51/1297551251.db2.gz YIPMVCPQQRJLRM-KSEOMHKRSA-N 2 0 341.543 3.359 10 0 EGAERP CC(C)[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000381294303 1297551372 /nfs/dbraw/zinc/55/13/72/1297551372.db2.gz YIPMVCPQQRJLRM-CEMLEFRQSA-N 2 0 341.543 3.359 10 0 EGAERP CC1(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)CC[NH2+]CC1 ZINC000385255296 1297581704 /nfs/dbraw/zinc/58/17/04/1297581704.db2.gz SOWKDDUQJKJABI-UHFFFAOYSA-N 3 0 341.543 3.364 10 0 EGAERP CC(C)(C)[C@H]([NH3+])CC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C ZINC000391155922 1297640094 /nfs/dbraw/zinc/64/00/94/1297640094.db2.gz YNRSVVIFCAJMMW-QZTJIDSGSA-N 2 0 345.531 3.167 10 0 EGAERP Fc1c(Br)cccc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000394826121 1297680988 /nfs/dbraw/zinc/68/09/88/1297680988.db2.gz XFXCEHOVJIFDMW-TXEJJXNPSA-N 2 0 327.241 3.020 10 0 EGAERP c1ccc(C[NH+]2CCC(CN3CCC[C@H]([NH2+]C4CC4)C3)CC2)cc1 ZINC000397492155 1297701729 /nfs/dbraw/zinc/70/17/29/1297701729.db2.gz AANWVCRZAVPGRK-NRFANRHFSA-N 2 0 327.516 3.115 10 0 EGAERP OC1(C[NH2+]C[C@@H]2CCC(F)(F)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397696350 1297703477 /nfs/dbraw/zinc/70/34/77/1297703477.db2.gz SFPRIKWGWZTDLH-QGZVFWFLSA-N 2 0 338.442 3.039 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)CN1C(=O)OC(C)(C)C ZINC000399092263 1297723927 /nfs/dbraw/zinc/72/39/27/1297723927.db2.gz UJZASENSNGYBTA-SJORKVTESA-N 2 0 339.524 3.240 10 0 EGAERP C[C@@H]1[C@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[NH2+]C(C)(C)C ZINC000404367231 1297752391 /nfs/dbraw/zinc/75/23/91/1297752391.db2.gz HBUUWHFIPWOUNN-OKZBNKHCSA-N 2 0 345.531 3.275 10 0 EGAERP c1ccc(C[NH+]2CCN(CC[NH2+]C3CCC4(CC4)CC3)CC2)cc1 ZINC000710155306 1298254423 /nfs/dbraw/zinc/25/44/23/1298254423.db2.gz VJHQPTJFIUDODW-UHFFFAOYSA-N 2 0 327.516 3.117 10 0 EGAERP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719947726 1298326077 /nfs/dbraw/zinc/32/60/77/1298326077.db2.gz NKGYWTYFJNDROU-IBGZPJMESA-N 3 0 329.532 3.220 10 0 EGAERP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000719951454 1298326678 /nfs/dbraw/zinc/32/66/78/1298326678.db2.gz ASTQVWWDDDEDMN-WCRBZPEASA-N 3 0 327.516 3.113 10 0 EGAERP COCCC[C@@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925780480 1325298901 /nfs/dbraw/zinc/29/89/01/1325298901.db2.gz ANMNAIDKAABCFM-DAXOMENPSA-N 2 0 341.293 3.114 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1CCC2(CCC2)O1 ZINC000883365381 1302416198 /nfs/dbraw/zinc/41/61/98/1302416198.db2.gz ZUDWKLWGRBCSAP-FQEVSTJZSA-N 2 0 344.499 3.353 10 0 EGAERP c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872424 1303621019 /nfs/dbraw/zinc/62/10/19/1303621019.db2.gz RXIFBINYDDOQDL-RTWAWAEBSA-N 2 0 344.499 3.210 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OC)c(OC)c2F)CC1 ZINC000893940152 1306137996 /nfs/dbraw/zinc/13/79/96/1306137996.db2.gz JVFMWZGQQKKYBB-UHFFFAOYSA-N 2 0 338.467 3.397 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)c(F)c1OC ZINC000893968162 1306154107 /nfs/dbraw/zinc/15/41/07/1306154107.db2.gz ZVBKDOJXHKBNFO-UHFFFAOYSA-N 2 0 338.467 3.395 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(cccc2O)s1 ZINC000894096546 1306216127 /nfs/dbraw/zinc/21/61/27/1306216127.db2.gz VWEKFFKBIWILTP-RPVQJOFSSA-N 2 0 346.496 3.290 10 0 EGAERP C[C@@H]1C[N@H+](C[C@@H]2CCN(c3ccccc3)C2)CCN1c1cc[nH+]cc1 ZINC000895559015 1309401921 /nfs/dbraw/zinc/40/19/21/1309401921.db2.gz YRISDDPUZDQKJR-MOPGFXCFSA-N 2 0 336.483 3.119 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](CCOC2CCSCC2)CC1 ZINC000929297275 1328560162 /nfs/dbraw/zinc/56/01/62/1328560162.db2.gz QJNCFSOEOMYEGA-UHFFFAOYSA-N 2 0 328.566 3.343 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858119917 1328688558 /nfs/dbraw/zinc/68/85/58/1328688558.db2.gz ULMMEZMKJDOGDU-MRXNPFEDSA-N 2 0 339.524 3.096 10 0 EGAERP C[N@@H+]1CC[C@@H](Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)CC1(C)C ZINC000858404739 1328754428 /nfs/dbraw/zinc/75/44/28/1328754428.db2.gz NBCXAAHFCNOMJI-QGZVFWFLSA-N 2 0 345.531 3.100 10 0 EGAERP COC(=O)C1=CC[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000858473899 1328772024 /nfs/dbraw/zinc/77/20/24/1328772024.db2.gz RPKVBMUPWYRVMF-IOJLRTSASA-N 2 0 342.483 3.281 10 0 EGAERP CC[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](CC)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000858501087 1328781054 /nfs/dbraw/zinc/78/10/54/1328781054.db2.gz XBXKBANMURIDTJ-LUKYLMHMSA-N 2 0 339.524 3.094 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)C1 ZINC000858503815 1328781624 /nfs/dbraw/zinc/78/16/24/1328781624.db2.gz HDRPFYISSOZLTI-MNEFBYGVSA-N 2 0 334.504 3.271 10 0 EGAERP Cc1cc(C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)c(C)nn1 ZINC000930169697 1328803198 /nfs/dbraw/zinc/80/31/98/1328803198.db2.gz GEZHFSUVEBDTDS-UHFFFAOYSA-N 2 0 339.487 3.227 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H](CN(C)Cc3cc(C)nnc3C)C2)s1 ZINC000930372733 1328844070 /nfs/dbraw/zinc/84/40/70/1328844070.db2.gz DAHYZJLZSKWPTJ-QGZVFWFLSA-N 2 0 344.528 3.417 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](Cc3ccccc3CF)CC2)CC1 ZINC000930749915 1328956395 /nfs/dbraw/zinc/95/63/95/1328956395.db2.gz JVYZHSFBKMSOLL-UHFFFAOYSA-N 2 0 333.495 3.148 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000922847078 1322631510 /nfs/dbraw/zinc/63/15/10/1322631510.db2.gz VAXLJIWBHQOPRH-CKHPTIKVSA-N 2 0 344.499 3.351 10 0 EGAERP C[NH+](C)CCC[C@@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCO1 ZINC000931076867 1329043464 /nfs/dbraw/zinc/04/34/64/1329043464.db2.gz YMSPRJAWIILGRS-KZNAEPCWSA-N 2 0 338.442 3.078 10 0 EGAERP c1ccc([C@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)Cc3ccccc32)cc1 ZINC000923301846 1322729145 /nfs/dbraw/zinc/72/91/45/1322729145.db2.gz YUNVOPYLBNXGAD-TZIWHRDSSA-N 2 0 334.463 3.013 10 0 EGAERP COC(=O)[C@@H](C)[C@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000923376245 1322742063 /nfs/dbraw/zinc/74/20/63/1322742063.db2.gz JHQDNBVKIQMDQW-PQCNYSFFSA-N 2 0 330.472 3.047 10 0 EGAERP COC(=O)[C@@H](C)[C@@H]([NH2+]CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccccc1 ZINC000923376244 1322742316 /nfs/dbraw/zinc/74/23/16/1322742316.db2.gz JHQDNBVKIQMDQW-HUUCDWIBSA-N 2 0 330.472 3.047 10 0 EGAERP C[C@H](c1ncc(-c2ccccc2)o1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923451026 1322754283 /nfs/dbraw/zinc/75/42/83/1322754283.db2.gz KTWYLHPXUUZZFD-WBVHZDCISA-N 2 0 341.455 3.232 10 0 EGAERP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)c2cc1Cl ZINC000923496591 1322761438 /nfs/dbraw/zinc/76/14/38/1322761438.db2.gz HYLQSEJCTMZWRY-OCCSQVGLSA-N 2 0 348.874 3.426 10 0 EGAERP CCc1cc2oc(=O)cc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)c2cc1Cl ZINC000923496592 1322761908 /nfs/dbraw/zinc/76/19/08/1322761908.db2.gz HYLQSEJCTMZWRY-TZMCWYRMSA-N 2 0 348.874 3.426 10 0 EGAERP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923498605 1322762450 /nfs/dbraw/zinc/76/24/50/1322762450.db2.gz HTZYILPUEIVJEZ-HIFRSBDPSA-N 2 0 332.879 3.251 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@H]1C[NH3+] ZINC000923501299 1322763767 /nfs/dbraw/zinc/76/37/67/1322763767.db2.gz PZYGXHHAFQGMJZ-OCCSQVGLSA-N 2 0 348.288 3.414 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CC[C@H](Cc3nc(C)cs3)C2)cc1 ZINC000923552326 1322775323 /nfs/dbraw/zinc/77/53/23/1322775323.db2.gz VVPPVQYQYSRWJS-NVXWUHKLSA-N 2 0 345.512 3.067 10 0 EGAERP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cnn(C2CCC2)c1 ZINC000924703910 1323122849 /nfs/dbraw/zinc/12/28/49/1323122849.db2.gz HXJUOYKBVJSUPR-INIZCTEOSA-N 2 0 342.487 3.399 10 0 EGAERP CC[C@H](NCc1ccccc1OCC[NH+](C)C)c1cccc(OC)n1 ZINC000924863454 1323191585 /nfs/dbraw/zinc/19/15/85/1323191585.db2.gz XVWGPIXTARDBSF-KRWDZBQOSA-N 2 0 343.471 3.272 10 0 EGAERP CCCOc1cccc(CN2CCC([N@@H+]3CCCOCC3)CC2)c1 ZINC000931287923 1329086150 /nfs/dbraw/zinc/08/61/50/1329086150.db2.gz WXSYOOHQASGAJM-UHFFFAOYSA-N 2 0 332.488 3.162 10 0 EGAERP C[N@H+](Cc1ccccc1NC(=O)NC[C@H]1CC[NH+]1C)C1CCCCC1 ZINC000925395440 1325140381 /nfs/dbraw/zinc/14/03/81/1325140381.db2.gz WBHUWORCFRYLQG-GOSISDBHSA-N 2 0 344.503 3.277 10 0 EGAERP CC1(C)[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925476371 1325167766 /nfs/dbraw/zinc/16/77/66/1325167766.db2.gz AWWVODQXUJKDCS-HSALFYBXSA-N 2 0 345.506 3.156 10 0 EGAERP CC1(C)C[C@@H](NC[C@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925491537 1325174213 /nfs/dbraw/zinc/17/42/13/1325174213.db2.gz JTKQVDYVDOPJEX-AQNXPRMDSA-N 2 0 329.532 3.047 10 0 EGAERP FC(F)(F)c1csc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925524985 1325190121 /nfs/dbraw/zinc/19/01/21/1325190121.db2.gz CVGUGYVOPAAGBB-OLZOCXBDSA-N 2 0 347.450 3.462 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C[C@@H]([NH3+])C1 ZINC000925530640 1325193585 /nfs/dbraw/zinc/19/35/85/1325193585.db2.gz GFKXPZUAIYSBAX-IPYPFGDCSA-N 2 0 346.393 3.114 10 0 EGAERP c1ccc(C2(C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544335 1325200219 /nfs/dbraw/zinc/20/02/19/1325200219.db2.gz QALNKUIVRKAYIM-RTWAWAEBSA-N 2 0 342.527 3.493 10 0 EGAERP COc1ccc(C2(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)CCOCC2)cc1 ZINC000925561394 1325209774 /nfs/dbraw/zinc/20/97/74/1325209774.db2.gz BIEFLQQLQNGDCX-ROUUACIJSA-N 2 0 346.515 3.239 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000925566213 1325213157 /nfs/dbraw/zinc/21/31/57/1325213157.db2.gz GGXHQGPBZVPAEX-GGUBFDOKSA-N 2 0 349.469 3.035 10 0 EGAERP C[N@H+]1C[C@H]2CC[C@@H](C1)C2[NH2+]Cc1cccc(COCC(F)(F)F)c1 ZINC000925596135 1325225801 /nfs/dbraw/zinc/22/58/01/1325225801.db2.gz JFTOCVOOOZLJAU-SJPCQFCGSA-N 2 0 342.405 3.195 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925615155 1325232050 /nfs/dbraw/zinc/23/20/50/1325232050.db2.gz MQNFMAWPYVATND-WDSOQIARSA-N 2 0 332.488 3.028 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000925661285 1325252765 /nfs/dbraw/zinc/25/27/65/1325252765.db2.gz CVKYCKVMCVIKHS-UIDBIOKJSA-N 2 0 347.469 3.287 10 0 EGAERP CC1(C)[NH2+]CC[C@H]1NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000925718234 1325268854 /nfs/dbraw/zinc/26/88/54/1325268854.db2.gz YHGBEWXCBNRWOO-RTBURBONSA-N 2 0 327.516 3.019 10 0 EGAERP CC1(C)CC[C@H](C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)OC1 ZINC000925732563 1325274656 /nfs/dbraw/zinc/27/46/56/1325274656.db2.gz PQKGBTNEEBOKLP-SYNHAJSKSA-N 2 0 330.472 3.037 10 0 EGAERP [NH3+][C@@H]1C[C@@H](N[C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736032 1325275425 /nfs/dbraw/zinc/27/54/25/1325275425.db2.gz KAFTXLIGFVYKNK-BRWVUGGUSA-N 2 0 347.256 3.217 10 0 EGAERP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925776814 1325294568 /nfs/dbraw/zinc/29/45/68/1325294568.db2.gz MKSDVFUKPVBRBN-LXZKKBNFSA-N 2 0 342.405 3.128 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Br ZINC000925798562 1325306256 /nfs/dbraw/zinc/30/62/56/1325306256.db2.gz LQHWKLKLHKMARW-MBNYWOFBSA-N 2 0 341.293 3.354 10 0 EGAERP CC(C)c1cccc2c1OCCC[C@@H]2[NH2+]CCN1CCC([NH3+])CC1 ZINC000925815928 1325313361 /nfs/dbraw/zinc/31/33/61/1325313361.db2.gz UHNAYFUIUBWIOJ-IBGZPJMESA-N 2 0 331.504 3.036 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822227 1325316820 /nfs/dbraw/zinc/31/68/20/1325316820.db2.gz KKPNOYRMPLTKEW-AFVILVPDSA-N 3 0 329.532 3.332 10 0 EGAERP [NH3+][C@H]1CCC[C@@H]([NH2+][C@H]2CCOc3ccc(Br)cc32)C1 ZINC000925827866 1325318674 /nfs/dbraw/zinc/31/86/74/1325318674.db2.gz UXQIQMANISOJJL-SCRDCRAPSA-N 2 0 325.250 3.132 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)O1 ZINC000925834266 1325320827 /nfs/dbraw/zinc/32/08/27/1325320827.db2.gz MEIYZFIIZJNOBX-LJIZCISZSA-N 2 0 334.426 3.387 10 0 EGAERP COc1ccc([C@@H](C)[C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000925841596 1325323694 /nfs/dbraw/zinc/32/36/94/1325323694.db2.gz RABYZWUOPKBGQX-IQGAEYHTSA-N 2 0 332.488 3.318 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000925848157 1325327841 /nfs/dbraw/zinc/32/78/41/1325327841.db2.gz BBMAEQGYWQVKHC-OAHLLOKOSA-N 2 0 341.446 3.014 10 0 EGAERP CC(C)(C)C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925849146 1325329471 /nfs/dbraw/zinc/32/94/71/1325329471.db2.gz AQKHXMGFCVTXHQ-QZTJIDSGSA-N 2 0 344.499 3.439 10 0 EGAERP Cc1ccc([C@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCC2)cc1 ZINC000925850781 1325329774 /nfs/dbraw/zinc/32/97/74/1325329774.db2.gz QCSCXMCXCONKLR-RTBURBONSA-N 2 0 342.483 3.111 10 0 EGAERP CC(C)C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccs1 ZINC000925855967 1325331242 /nfs/dbraw/zinc/33/12/42/1325331242.db2.gz VXSUZMOEBURAAD-GJZGRUSLSA-N 2 0 336.501 3.110 10 0 EGAERP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855765 1325332170 /nfs/dbraw/zinc/33/21/70/1325332170.db2.gz QBNJIUAPOMSSQP-LPHOPBHVSA-N 2 0 344.499 3.221 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCCOc3c(Br)cccc32)C1 ZINC000925876370 1325339845 /nfs/dbraw/zinc/33/98/45/1325339845.db2.gz WDYSAYDAICOKNO-YWPYICTPSA-N 2 0 339.277 3.380 10 0 EGAERP COc1ncc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1Cl ZINC000925881588 1325340806 /nfs/dbraw/zinc/34/08/06/1325340806.db2.gz JCRMWONWVFUGDI-NRXGSXMXSA-N 2 0 345.874 3.453 10 0 EGAERP Cc1noc(C2CCC([NH2+][C@H]3C[C@@](C[NH3+])(c4ccccc4)C3)CC2)n1 ZINC000925882779 1325342259 /nfs/dbraw/zinc/34/22/59/1325342259.db2.gz UHKLBNYVNQPKHQ-DWRSEUHJSA-N 2 0 340.471 3.053 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC2(C[NH+](C)C)CCCC2)n(C)n1 ZINC000926168997 1325455162 /nfs/dbraw/zinc/45/51/62/1325455162.db2.gz CDIXJSXZTMDGLR-PKOBYXMFSA-N 2 0 332.536 3.151 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@@H]2CCc3cnn(C(C)C)c3C2)CC1 ZINC000926269735 1325498283 /nfs/dbraw/zinc/49/82/83/1325498283.db2.gz NXHIDCRPTUHJGO-LJQANCHMSA-N 2 0 332.536 3.421 10 0 EGAERP C[C@@H]([NH2+]C[C@]1(CO)CCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926643436 1327650147 /nfs/dbraw/zinc/65/01/47/1327650147.db2.gz ADPVHZMYKDTKKA-VGSWGCGISA-N 2 0 338.495 3.275 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@@H](C)[C@@H]2C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876199 1327751503 /nfs/dbraw/zinc/75/15/03/1327751503.db2.gz IFTLYHRPBZGWCF-YRJWVXGYSA-N 2 0 346.515 3.371 10 0 EGAERP C[NH+](C)CC[C@H]([NH2+][C@@H]1CCC[C@H]1Cc1ccccn1)c1cccnc1 ZINC000926902564 1327765660 /nfs/dbraw/zinc/76/56/60/1327765660.db2.gz YWNJDYVLMWTJNY-WMQCIHAUSA-N 2 0 338.499 3.470 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942681 1327786954 /nfs/dbraw/zinc/78/69/54/1327786954.db2.gz QGTBGUCMXQMBSW-JBINPLMMSA-N 2 0 326.484 3.078 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1ccc(OCC[NH+](C)C)cc1 ZINC000926949288 1327791671 /nfs/dbraw/zinc/79/16/71/1327791671.db2.gz MLDHUEVMDWGJSQ-DUVNUKRYSA-N 2 0 330.394 3.476 10 0 EGAERP Fc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cnc1Cl ZINC000865518564 1329708282 /nfs/dbraw/zinc/70/82/82/1329708282.db2.gz QWGYIWXIBZNPCE-UHFFFAOYSA-N 2 0 334.826 3.275 10 0 EGAERP CN(c1ccccc1C[NH2+]CC[C@@H]1CCSC1)C1CC[NH+](C)CC1 ZINC000865651804 1329725430 /nfs/dbraw/zinc/72/54/30/1329725430.db2.gz GARGDSQPYICMKJ-QGZVFWFLSA-N 2 0 347.572 3.450 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865765110 1329736433 /nfs/dbraw/zinc/73/64/33/1329736433.db2.gz VPNFXQUXUVOKIP-UHFFFAOYSA-N 2 0 343.515 3.275 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2cnn(-c3ccc(F)cc3)c2)CC1 ZINC000865765829 1329736463 /nfs/dbraw/zinc/73/64/63/1329736463.db2.gz NPYAIIBMLDWZRU-UHFFFAOYSA-N 2 0 330.451 3.364 10 0 EGAERP Cc1ccc2c(C)cc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)nc2c1 ZINC000866012890 1329758948 /nfs/dbraw/zinc/75/89/48/1329758948.db2.gz UOGRPEKYQBBSAI-QZTJIDSGSA-N 2 0 340.515 3.027 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866230920 1330081239 /nfs/dbraw/zinc/08/12/39/1330081239.db2.gz IJDBJRQKDPDPKX-JXFKEZNVSA-N 2 0 333.495 3.066 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H](C)CCc2cccnc2)[C@H](C)C1 ZINC000866268467 1330088150 /nfs/dbraw/zinc/08/81/50/1330088150.db2.gz WNDIALRTWQDNLE-GGPKGHCWSA-N 2 0 333.520 3.129 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000866518287 1330121510 /nfs/dbraw/zinc/12/15/10/1330121510.db2.gz WXYJNJBJMOBWOY-MYWSLZCHSA-N 2 0 331.504 3.302 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000866697085 1330141953 /nfs/dbraw/zinc/14/19/53/1330141953.db2.gz FIZNEJXTGZPLQM-PXNSSMCTSA-N 2 0 332.488 3.161 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC000866717763 1330144196 /nfs/dbraw/zinc/14/41/96/1330144196.db2.gz OLJFKQPWZJHMBX-HXUWFJFHSA-N 3 0 347.547 3.037 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC1CC[NH+](C(C)C)CC1 ZINC000868163098 1330257256 /nfs/dbraw/zinc/25/72/56/1330257256.db2.gz JTBHSLAWZRAGCU-UHFFFAOYSA-N 2 0 346.519 3.428 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C[C@@H]1CC ZINC001323163400 1387304872 /nfs/dbraw/zinc/30/48/72/1387304872.db2.gz TYNBTRKPBISBAY-SLVIYJBESA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171123 1387306164 /nfs/dbraw/zinc/30/61/64/1387306164.db2.gz UEPSILLZTBKQTJ-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CC2)cc1 ZINC001323613945 1387406487 /nfs/dbraw/zinc/40/64/87/1387406487.db2.gz OWEWIHDQPFUWQM-KRWDZBQOSA-N 2 0 343.515 3.205 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642517 1387416006 /nfs/dbraw/zinc/41/60/06/1387416006.db2.gz NHBRJYJVVDTJMN-DXPXIUTNSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001323813034 1387465253 /nfs/dbraw/zinc/46/52/53/1387465253.db2.gz NBBZMBUPELPGMH-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001323857095 1387476989 /nfs/dbraw/zinc/47/69/89/1387476989.db2.gz FWKYGRKNCQUOQQ-CTNGQTDRSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323871236 1387483421 /nfs/dbraw/zinc/48/34/21/1387483421.db2.gz CFXWSNIXAUXHRZ-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001324175804 1387550915 /nfs/dbraw/zinc/55/09/15/1387550915.db2.gz OSWSNWUAWBALJP-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324208296 1387558428 /nfs/dbraw/zinc/55/84/28/1387558428.db2.gz VSVUPPSFVXWTPE-DKFQHHCZSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727087 1387753160 /nfs/dbraw/zinc/75/31/60/1387753160.db2.gz FGKJCFZUNUGLIR-QUCCMNQESA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788783 1387773099 /nfs/dbraw/zinc/77/30/99/1387773099.db2.gz LETLYAVIUHKEJY-NQIIRXRSSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001324978424 1387869384 /nfs/dbraw/zinc/86/93/84/1387869384.db2.gz UIRXKHWCIVXBJV-OAQYLSRUSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[C@H](O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358900 1367483607 /nfs/dbraw/zinc/48/36/07/1367483607.db2.gz QZFCLBIRBHQBRD-NHCUHLMSSA-N 2 0 330.516 3.382 10 0 EGAERP OC[C@@H]([NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCCC1 ZINC001194863432 1368336631 /nfs/dbraw/zinc/33/66/31/1368336631.db2.gz FRTPTNJRFRUSCU-JOCHJYFZSA-N 2 0 344.543 3.472 10 0 EGAERP CC(C)[NH+]1CCC([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001325364386 1387949147 /nfs/dbraw/zinc/94/91/47/1387949147.db2.gz XAQPVHUVICOJQI-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001325364767 1387950038 /nfs/dbraw/zinc/95/00/38/1387950038.db2.gz ZHYNBLGGTZPZTI-ICSRJNTNSA-N 2 0 345.531 3.279 10 0 EGAERP C[NH+](C)C[C@@H](NCC[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001196735716 1368672660 /nfs/dbraw/zinc/67/26/60/1368672660.db2.gz GHVDBCXDNVMGIF-MRXNPFEDSA-N 2 0 330.303 3.282 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001325402970 1387962093 /nfs/dbraw/zinc/96/20/93/1387962093.db2.gz AADNTVOHXLDDGG-HOTGVXAUSA-N 2 0 349.544 3.216 10 0 EGAERP C[N@H+](CCN1CCC(C)([NH+]2CCCCC2)CC1)Cc1ccccc1 ZINC001197582689 1368844659 /nfs/dbraw/zinc/84/46/59/1368844659.db2.gz WPOXMQATJZQJEA-UHFFFAOYSA-N 2 0 329.532 3.459 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001325678913 1388028518 /nfs/dbraw/zinc/02/85/18/1388028518.db2.gz FFHVYLZDOZCKIO-IYARVYRRSA-N 2 0 349.563 3.031 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CCC[C@@H](Cc3nccn3C)C2)c1 ZINC001326040828 1388104597 /nfs/dbraw/zinc/10/45/97/1388104597.db2.gz FFEBKYLALBOKSO-CJISVDGZSA-N 2 0 340.471 3.182 10 0 EGAERP COC(=O)c1cc(C[N@@H+]2CCCC3(CC[NH+](C)CC3)C2)[nH]c1C(C)C ZINC001119447918 1371345295 /nfs/dbraw/zinc/34/52/95/1371345295.db2.gz CNWKZKUDGPWUHR-UHFFFAOYSA-N 2 0 347.503 3.233 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)n2)C1 ZINC001119699461 1371389488 /nfs/dbraw/zinc/38/94/88/1371389488.db2.gz QMCRRONIJPPNLM-WCQYABFASA-N 2 0 331.382 3.018 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001326773764 1388306323 /nfs/dbraw/zinc/30/63/23/1388306323.db2.gz JPDKWLCSHTVDET-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001327130314 1388394617 /nfs/dbraw/zinc/39/46/17/1388394617.db2.gz LGNRVHBCDCMNLZ-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)CC2)C1 ZINC001327173787 1388423172 /nfs/dbraw/zinc/42/31/72/1388423172.db2.gz TZAIKUDYBGOLSD-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](CC1=CCCCC1)C1CC1 ZINC001266174727 1377216823 /nfs/dbraw/zinc/21/68/23/1377216823.db2.gz SCIGESOIPYGVHM-QZTJIDSGSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001267071451 1377410122 /nfs/dbraw/zinc/41/01/22/1377410122.db2.gz UWEFPHIJRMGILC-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267207281 1377430113 /nfs/dbraw/zinc/43/01/13/1377430113.db2.gz CCPLOUURPYJCHI-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001267531697 1377452675 /nfs/dbraw/zinc/45/26/75/1377452675.db2.gz XBKJLPXRCXLNLU-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001267531699 1377452773 /nfs/dbraw/zinc/45/27/73/1377452773.db2.gz XBKJLPXRCXLNLU-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001267570526 1377460565 /nfs/dbraw/zinc/46/05/65/1377460565.db2.gz BPGYTWQBBIHYRT-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CC[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001268164667 1377490575 /nfs/dbraw/zinc/49/05/75/1377490575.db2.gz YFHSLGIEORIEER-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001268236227 1377500248 /nfs/dbraw/zinc/50/02/48/1377500248.db2.gz DRKBSLWWIGARLL-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001270850673 1377615939 /nfs/dbraw/zinc/61/59/39/1377615939.db2.gz CCGNZOWJSKYSOX-PHWHVTFISA-N 2 0 347.547 3.142 10 0 EGAERP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001270966218 1377619966 /nfs/dbraw/zinc/61/99/66/1377619966.db2.gz WBADXIRPMGXINU-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[N@H+](C)CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001271790873 1377651937 /nfs/dbraw/zinc/65/19/37/1377651937.db2.gz SGKUFNYNUUAILE-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001327456127 1388524506 /nfs/dbraw/zinc/52/45/06/1388524506.db2.gz WCLWVZQPRLHDFH-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001327474961 1388529788 /nfs/dbraw/zinc/52/97/88/1388529788.db2.gz RDFNKTJIXSIOKJ-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001273165997 1378090472 /nfs/dbraw/zinc/09/04/72/1378090472.db2.gz IODWPARCWLZWNC-QZTJIDSGSA-N 2 0 335.536 3.212 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001274340968 1378123266 /nfs/dbraw/zinc/12/32/66/1378123266.db2.gz ZNUWQQKGTUNSCS-NREOILKTSA-N 2 0 345.531 3.213 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001327489315 1388533623 /nfs/dbraw/zinc/53/36/23/1388533623.db2.gz XPZJDTKWWKCQMY-SFHVURJKSA-N 2 0 339.568 3.370 10 0 EGAERP CC/C=C/CC[NH+](C)C1CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277423813 1378222028 /nfs/dbraw/zinc/22/20/28/1378222028.db2.gz WERYXFHVXMTYTM-GHOSXJJBSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001278623203 1378284339 /nfs/dbraw/zinc/28/43/39/1378284339.db2.gz ULMZRGVKNWXWLO-GOSISDBHSA-N 2 0 339.568 3.227 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001279573858 1378313138 /nfs/dbraw/zinc/31/31/38/1378313138.db2.gz JKDWGSCSJMQVFN-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@]2(CC[N@H+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001327529552 1388551559 /nfs/dbraw/zinc/55/15/59/1388551559.db2.gz IPUNXWCIAHHJOE-FPOVZHCZSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001282240404 1378492677 /nfs/dbraw/zinc/49/26/77/1378492677.db2.gz DDQYSMKJELNBNB-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001282269343 1378493533 /nfs/dbraw/zinc/49/35/33/1378493533.db2.gz DWUYWADRTGZHTO-LMDPOFIKSA-N 2 0 345.531 3.367 10 0 EGAERP CCC[NH2+]C1CCC(N(C)C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001282275234 1378494046 /nfs/dbraw/zinc/49/40/46/1378494046.db2.gz VPISFGJYFLQUES-SOAGJPPSSA-N 2 0 345.531 3.449 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCC(C)CC1)C2 ZINC001327540273 1388555560 /nfs/dbraw/zinc/55/55/60/1388555560.db2.gz ICDVULSXTWKDCY-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001282741439 1378592968 /nfs/dbraw/zinc/59/29/68/1378592968.db2.gz SKIFCKOMHVXFFW-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001282800014 1378617356 /nfs/dbraw/zinc/61/73/56/1378617356.db2.gz HRRXBMBXDJVDRA-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC001282810329 1378621803 /nfs/dbraw/zinc/62/18/03/1378621803.db2.gz IJCCGPZZCNUDDB-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001283051556 1378717465 /nfs/dbraw/zinc/71/74/65/1378717465.db2.gz PIOLWYDDXXESKM-NCXUSEDFSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1c(C(=O)N[C@H]2C[C@H](C[NH2+]CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001283063231 1378720240 /nfs/dbraw/zinc/72/02/40/1378720240.db2.gz VYDRHQCQHGJTNV-QAQDUYKDSA-N 2 0 342.487 3.177 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001283240600 1378769510 /nfs/dbraw/zinc/76/95/10/1378769510.db2.gz VOKAIXMLJRXQMP-VQIMIIECSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278483 1378782429 /nfs/dbraw/zinc/78/24/29/1378782429.db2.gz MQCREIKOOFHURN-SJLPKXTDSA-N 2 0 337.552 3.029 10 0 EGAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001283552466 1379013254 /nfs/dbraw/zinc/01/32/54/1379013254.db2.gz HCPNCJIWACGOTC-UYAOXDASSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCC1CCCC1)CC2 ZINC001284071192 1379433972 /nfs/dbraw/zinc/43/39/72/1379433972.db2.gz WQNRYEMSGNFZRA-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001284088133 1379454240 /nfs/dbraw/zinc/45/42/40/1379454240.db2.gz UGUWYEPMFGQXPO-IPMKNSEASA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@@H]21 ZINC001284097117 1379464346 /nfs/dbraw/zinc/46/43/46/1379464346.db2.gz PZEYNBLGATVEBU-HSALFYBXSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001284104909 1379479014 /nfs/dbraw/zinc/47/90/14/1379479014.db2.gz ZVZWUKRLOFPVTD-IPMKNSEASA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001284350302 1379749211 /nfs/dbraw/zinc/74/92/11/1379749211.db2.gz ULBVVSPZNNSCRJ-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C(C)(C)C ZINC001284602353 1380002684 /nfs/dbraw/zinc/00/26/84/1380002684.db2.gz CBZARHLHRHEMRS-INIZCTEOSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001284614542 1380013830 /nfs/dbraw/zinc/01/38/30/1380013830.db2.gz SWTOAHYISOHZGT-MRXNPFEDSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001284781344 1380204587 /nfs/dbraw/zinc/20/45/87/1380204587.db2.gz PQSHYXYMWSGSCN-WWDZGPRUSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001284812739 1380236922 /nfs/dbraw/zinc/23/69/22/1380236922.db2.gz CWGQJHDCVRNBAS-UHFFFAOYSA-N 2 0 345.531 3.231 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C)CC1(C)C ZINC001328097968 1388669656 /nfs/dbraw/zinc/66/96/56/1388669656.db2.gz KAVAHYBXXQOROC-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@@H+]1CCC[C@H](CN[C@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC001328085378 1388667198 /nfs/dbraw/zinc/66/71/98/1388667198.db2.gz KWIHJBFYOTXRFE-IAGOWNOFSA-N 2 0 326.488 3.470 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC001328281996 1388713206 /nfs/dbraw/zinc/71/32/06/1388713206.db2.gz FQTYLITYJMBIBR-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C)CC[NH+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)o2)CC1 ZINC001291908732 1382161588 /nfs/dbraw/zinc/16/15/88/1382161588.db2.gz AFJVISOMLBGRSZ-UHFFFAOYSA-N 2 0 347.503 3.069 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCCCC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC001171139165 1384452827 /nfs/dbraw/zinc/45/28/27/1384452827.db2.gz KBZYYBJJZVXIMN-IBGZPJMESA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCCCCF)C1)[NH+](C)C ZINC001316773032 1384571084 /nfs/dbraw/zinc/57/10/84/1384571084.db2.gz RTSNAGOMQWIOSN-ZWKOTPCHSA-N 2 0 343.531 3.073 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001316774481 1384573008 /nfs/dbraw/zinc/57/30/08/1384573008.db2.gz UCFZKYWCXIXOKM-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)[C@H]1C ZINC001316790424 1384583709 /nfs/dbraw/zinc/58/37/09/1384583709.db2.gz DDMXIQUGCYMBHG-MWMLXTMESA-N 2 0 335.536 3.042 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CC(C)C)C1 ZINC001316804692 1384594948 /nfs/dbraw/zinc/59/49/48/1384594948.db2.gz UYHNFYANUQZYNQ-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316811689 1384609691 /nfs/dbraw/zinc/60/96/91/1384609691.db2.gz OABXCKWSHHIHIL-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001316824732 1384618875 /nfs/dbraw/zinc/61/88/75/1384618875.db2.gz XNFNLUHZZYCFAG-LZQZEXGQSA-N 2 0 349.494 3.055 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316845545 1384634229 /nfs/dbraw/zinc/63/42/29/1384634229.db2.gz QSRLSAZBTAWCNQ-FHWLQOOXSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CCCC1CCC1 ZINC001316852973 1384639883 /nfs/dbraw/zinc/63/98/83/1384639883.db2.gz ATRFLASIDDQRHA-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001316934755 1384706202 /nfs/dbraw/zinc/70/62/02/1384706202.db2.gz USGJEPAKYMTXIO-OVKVCFKUSA-N 2 0 335.536 3.140 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001316982970 1384740794 /nfs/dbraw/zinc/74/07/94/1384740794.db2.gz MJTMVDAKAVVLKJ-ZWKOTPCHSA-N 2 0 343.515 3.039 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001317007968 1384771684 /nfs/dbraw/zinc/77/16/84/1384771684.db2.gz SOIKVBKOMGYWRB-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)C2)C1 ZINC001317045960 1384821277 /nfs/dbraw/zinc/82/12/77/1384821277.db2.gz TZJDBVAEHSRZLH-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001317111523 1384873590 /nfs/dbraw/zinc/87/35/90/1384873590.db2.gz GMGOIFFXJOIRJG-OTWHNJEPSA-N 2 0 335.536 3.068 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001317149476 1384916367 /nfs/dbraw/zinc/91/63/67/1384916367.db2.gz IUKNMRKPBWIAGQ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001317162845 1384926045 /nfs/dbraw/zinc/92/60/45/1384926045.db2.gz XSAKDJATECONBK-ICSRJNTNSA-N 2 0 345.531 3.164 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CCC2=CCCCC2)C1 ZINC001317175470 1384947235 /nfs/dbraw/zinc/94/72/35/1384947235.db2.gz CGNMRBZYIJBUPW-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317194618 1384969193 /nfs/dbraw/zinc/96/91/93/1384969193.db2.gz ZNBDQNYEBHEPAN-ZMBJWTFHSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001317222156 1385002654 /nfs/dbraw/zinc/00/26/54/1385002654.db2.gz XBDXCENOFDWMOO-CTWPCTMYSA-N 2 0 337.552 3.314 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001317225854 1385005651 /nfs/dbraw/zinc/00/56/51/1385005651.db2.gz HJIQJDRESHAJAF-AATRIKPKSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241627 1385014702 /nfs/dbraw/zinc/01/47/02/1385014702.db2.gz MOFBZRNFLYTQOL-JXFKEZNVSA-N 2 0 343.515 3.031 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317350195 1385099782 /nfs/dbraw/zinc/09/97/82/1385099782.db2.gz KCJUAMBXKHDUPT-ROUUACIJSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001317411069 1385122310 /nfs/dbraw/zinc/12/23/10/1385122310.db2.gz BGKGSTQOWCROOU-MJGOQNOKSA-N 2 0 345.531 3.136 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416172 1385125907 /nfs/dbraw/zinc/12/59/07/1385125907.db2.gz SOAYCPIXQCLMLO-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001317434890 1385138348 /nfs/dbraw/zinc/13/83/48/1385138348.db2.gz NQTPIIQNBFHKIQ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C)CC1 ZINC001317437084 1385139827 /nfs/dbraw/zinc/13/98/27/1385139827.db2.gz TWZFFTCENFRPDS-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)Cn1cncc1C)[C@H](C)c1cc(C)ccc1C ZINC001317485785 1385183359 /nfs/dbraw/zinc/18/33/59/1385183359.db2.gz ZJFAPHAQTPNINM-GOSISDBHSA-N 2 0 342.487 3.008 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317513246 1385225853 /nfs/dbraw/zinc/22/58/53/1385225853.db2.gz IZETXKSOJPKAPQ-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317519892 1385238272 /nfs/dbraw/zinc/23/82/72/1385238272.db2.gz HLQGZPHCWAKENL-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1ccc(C[NH+]2CCCCC2)cc1 ZINC001175490705 1385308710 /nfs/dbraw/zinc/30/87/10/1385308710.db2.gz HJSNIDBHIBVNNO-QGZVFWFLSA-N 2 0 333.451 3.045 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001317682282 1385391740 /nfs/dbraw/zinc/39/17/40/1385391740.db2.gz ADMMVEDFVYAZMU-RNBODJDXSA-N 2 0 337.552 3.146 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CC1 ZINC001317687817 1385399792 /nfs/dbraw/zinc/39/97/92/1385399792.db2.gz AFFCUKQTEAOIDD-IBGZPJMESA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CC2(CCC2)C1 ZINC001317693064 1385401623 /nfs/dbraw/zinc/40/16/23/1385401623.db2.gz GYIJRNYCTYCSPE-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317771213 1385463050 /nfs/dbraw/zinc/46/30/50/1385463050.db2.gz XOJBXUHKOCCHCV-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317771217 1385463189 /nfs/dbraw/zinc/46/31/89/1385463189.db2.gz XOJBXUHKOCCHCV-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317854375 1385538597 /nfs/dbraw/zinc/53/85/97/1385538597.db2.gz PXDUFGITMDEZFT-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001318427173 1385682968 /nfs/dbraw/zinc/68/29/68/1385682968.db2.gz WZWOQZBUVIEQPZ-XLIONFOSSA-N 2 0 345.531 3.355 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC001176879320 1385730051 /nfs/dbraw/zinc/73/00/51/1385730051.db2.gz ILHUYMZIQJKDAC-VZUCSPMQSA-N 2 0 328.500 3.403 10 0 EGAERP CC[C@@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318563029 1385759294 /nfs/dbraw/zinc/75/92/94/1385759294.db2.gz UHOQJULIIPOYOO-ROUUACIJSA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](CC[NH2+][C@@H](C)c2ccccc2)C1 ZINC001318859706 1385863816 /nfs/dbraw/zinc/86/38/16/1385863816.db2.gz JASXCDZCPWHSEG-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001731998485 1428208164 /nfs/dbraw/zinc/20/81/64/1428208164.db2.gz VHJCCKBWOGSIEV-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)C1 ZINC001318976310 1385904734 /nfs/dbraw/zinc/90/47/34/1385904734.db2.gz OCKTZZRDQRFJMF-IHPCNDPISA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001318975584 1385904920 /nfs/dbraw/zinc/90/49/20/1385904920.db2.gz JDLSRXVMWDEMMR-GUDVDZBRSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC/C=C/c1ccccc1)[NH+](C)C ZINC001319085851 1385956536 /nfs/dbraw/zinc/95/65/36/1385956536.db2.gz WAZPHCZENHQFFC-ZCBOBATRSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001319352171 1386074632 /nfs/dbraw/zinc/07/46/32/1386074632.db2.gz ROJSQZVAAAXQPA-QGZVFWFLSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001698627864 1406270319 /nfs/dbraw/zinc/27/03/19/1406270319.db2.gz XJWDUKSAWQKRLB-LJQANCHMSA-N 2 0 349.563 3.458 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)C)CCCC1 ZINC001319389183 1386098591 /nfs/dbraw/zinc/09/85/91/1386098591.db2.gz ITNQALRQPAHSEM-GOSISDBHSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001319389985 1386099343 /nfs/dbraw/zinc/09/93/43/1386099343.db2.gz UNEOSNJTERRXBB-UHFFFAOYSA-N 2 0 331.504 3.181 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592305 1386194251 /nfs/dbraw/zinc/19/42/51/1386194251.db2.gz IPJVPIHKSKHWAK-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001319593463 1386195356 /nfs/dbraw/zinc/19/53/56/1386195356.db2.gz OJADVZVKMFZHTD-KRWDZBQOSA-N 2 0 333.520 3.087 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319787376 1386296442 /nfs/dbraw/zinc/29/64/42/1386296442.db2.gz GHSOZCLUCVDHRG-HKVCONOFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319805591 1386305270 /nfs/dbraw/zinc/30/52/70/1386305270.db2.gz IGEXUZIPGQEBNY-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001319823177 1386318382 /nfs/dbraw/zinc/31/83/82/1386318382.db2.gz AIRZKNJORHTAFQ-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001321663508 1386952899 /nfs/dbraw/zinc/95/28/99/1386952899.db2.gz PPDNMMQWSFPOEZ-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C)cc1 ZINC001322308268 1387152878 /nfs/dbraw/zinc/15/28/78/1387152878.db2.gz VTODMABOWCMTIP-KRWDZBQOSA-N 2 0 333.520 3.087 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001322852268 1387247249 /nfs/dbraw/zinc/24/72/49/1387247249.db2.gz LZVAKWDUZWHVIH-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001329171093 1389002104 /nfs/dbraw/zinc/00/21/04/1389002104.db2.gz WQOJCTHDXWRZMT-IAGOWNOFSA-N 2 0 337.552 3.170 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329861462 1389239114 /nfs/dbraw/zinc/23/91/14/1389239114.db2.gz SOQVYUUCPXJUIJ-DUMMIQTOSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045738 1389293389 /nfs/dbraw/zinc/29/33/89/1389293389.db2.gz DPZOBRGYHCQFKO-PXNSSMCTSA-N 2 0 345.531 3.052 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001330230973 1389353830 /nfs/dbraw/zinc/35/38/30/1389353830.db2.gz UOLMRYKGZAUBHP-PEEKWUTASA-N 2 0 349.563 3.290 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001330467647 1389422029 /nfs/dbraw/zinc/42/20/29/1389422029.db2.gz NPFOAHTYRBYLBO-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001330473931 1389425313 /nfs/dbraw/zinc/42/53/13/1389425313.db2.gz BTDCDNJMJRTSNW-ZCNNSNEGSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[NH+]3CCC)C2)C1 ZINC001330499755 1389432260 /nfs/dbraw/zinc/43/22/60/1389432260.db2.gz OIOSDKLWNPUJSS-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001698727129 1406377958 /nfs/dbraw/zinc/37/79/58/1406377958.db2.gz SWHMLPSSLPCTFO-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cc(C)c(C[NH2+]C[C@H]2CCCN2C(=O)CCC[NH+](C)C)c(C)c1 ZINC001698732527 1406381999 /nfs/dbraw/zinc/38/19/99/1406381999.db2.gz UTFWDKPACZNYAN-LJQANCHMSA-N 2 0 345.531 3.034 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](C[C@H](C)CC)C2)CC1 ZINC001698737827 1406388807 /nfs/dbraw/zinc/38/88/07/1406388807.db2.gz IGOPQBOTMZJCTQ-GOSISDBHSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1CC)CC2 ZINC001698737031 1406388934 /nfs/dbraw/zinc/38/89/34/1406388934.db2.gz ADCUFHCSPDNEKI-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001332045902 1389955505 /nfs/dbraw/zinc/95/55/05/1389955505.db2.gz GJIHAFHSYOKVLY-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001332108979 1389988240 /nfs/dbraw/zinc/98/82/40/1389988240.db2.gz DKDUPDWMWAMMIE-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCn2ccnc2)CCC[N@@H+]1CCC1CCCCC1 ZINC001332201779 1390038018 /nfs/dbraw/zinc/03/80/18/1390038018.db2.gz XFKZAPYOBUGJKM-PKOBYXMFSA-N 2 0 346.519 3.213 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1=CCCCC1 ZINC001332216709 1390047307 /nfs/dbraw/zinc/04/73/07/1390047307.db2.gz FLAZMZPJXHLBBS-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412082 1390109177 /nfs/dbraw/zinc/10/91/77/1390109177.db2.gz ASVCTEXNTRUPLQ-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP CC[NH+]1CCN(c2ccc(F)cc2[C@@H](C)[NH2+]C/C=C(/C)COC)CC1 ZINC001332700981 1390160177 /nfs/dbraw/zinc/16/01/77/1390160177.db2.gz QAUCNNOVLGOSID-QOTSWMAJSA-N 2 0 349.494 3.211 10 0 EGAERP CCCC[N@H+](C)CCN(C(=O)c1ccn2c(C)cnc2c1)C(C)C ZINC001332707297 1390161790 /nfs/dbraw/zinc/16/17/90/1390161790.db2.gz LLIUXJIYNQVERU-UHFFFAOYSA-N 2 0 330.476 3.225 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001332804837 1390190594 /nfs/dbraw/zinc/19/05/94/1390190594.db2.gz BHOBXQJTSFEONA-QGZVFWFLSA-N 2 0 339.568 3.418 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001332949502 1390222526 /nfs/dbraw/zinc/22/25/26/1390222526.db2.gz GSDAHMIOTKDGRM-JTGQJZMRSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001332997765 1390233034 /nfs/dbraw/zinc/23/30/34/1390233034.db2.gz KIFNZUJPWMXXDP-WMZOPIPTSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001333417291 1390299100 /nfs/dbraw/zinc/29/91/00/1390299100.db2.gz NDZGUQLYBSKZIX-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1C[C@H]2CC[C@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C[N@@H+]2C1 ZINC001346270635 1390919121 /nfs/dbraw/zinc/91/91/21/1390919121.db2.gz BFCJXHDFQREXJP-IMFGXOCKSA-N 2 0 341.499 3.341 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCCC1 ZINC001698798631 1406470574 /nfs/dbraw/zinc/47/05/74/1406470574.db2.gz YUSONQBKKWRQBY-LJQANCHMSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001698804482 1406484293 /nfs/dbraw/zinc/48/42/93/1406484293.db2.gz VIIAGMSBMAUDBX-HDICACEKSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)C[N@@H+]2C1 ZINC001348360058 1391209451 /nfs/dbraw/zinc/20/94/51/1391209451.db2.gz XTVWLBDNCNISFI-UVPYLWEQSA-N 2 0 347.547 3.020 10 0 EGAERP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@@H](C)C[N@H+]2C1 ZINC001349929902 1391387280 /nfs/dbraw/zinc/38/72/80/1391387280.db2.gz LQMCBKPJWKDSJO-OLMNPRSZSA-N 2 0 329.488 3.116 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827259 1406520814 /nfs/dbraw/zinc/52/08/14/1406520814.db2.gz CEJZHLJOZKZOKO-YJBOKZPZSA-N 2 0 349.544 3.092 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)CC1 ZINC001488868825 1391736363 /nfs/dbraw/zinc/73/63/63/1391736363.db2.gz ATSKEJILKHHHGA-IYARVYRRSA-N 2 0 337.552 3.029 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001479495935 1392257188 /nfs/dbraw/zinc/25/71/88/1392257188.db2.gz VBDJULPSLJBRIW-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001479502564 1392259431 /nfs/dbraw/zinc/25/94/31/1392259431.db2.gz JZPJKVWBOCAPAO-PXPVJAHISA-N 2 0 347.547 3.142 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001479724360 1392339570 /nfs/dbraw/zinc/33/95/70/1392339570.db2.gz LYOTYLTYTKUCQN-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001479803700 1392400780 /nfs/dbraw/zinc/40/07/80/1392400780.db2.gz AQJBFNMVAARPRV-QGZVFWFLSA-N 2 0 349.494 3.057 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1ccc(F)cc1 ZINC001479845264 1392428056 /nfs/dbraw/zinc/42/80/56/1392428056.db2.gz IIUXDFIEBPRGJZ-GPMSIDNRSA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)[C@H](C)c1ccccc1 ZINC001479848434 1392429571 /nfs/dbraw/zinc/42/95/71/1392429571.db2.gz UVFWCGKCUJZEEC-GOSISDBHSA-N 2 0 343.515 3.204 10 0 EGAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479854678 1392434765 /nfs/dbraw/zinc/43/47/65/1392434765.db2.gz LPAADPDFSHAHHY-APWZRJJASA-N 2 0 343.531 3.073 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001479895533 1392464166 /nfs/dbraw/zinc/46/41/66/1392464166.db2.gz LCYWETWHGAQXGF-GOSISDBHSA-N 2 0 345.531 3.402 10 0 EGAERP CC(C)=CC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001479894903 1392464447 /nfs/dbraw/zinc/46/44/47/1392464447.db2.gz IZKUKBJYXLNNQU-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001479984828 1392517318 /nfs/dbraw/zinc/51/73/18/1392517318.db2.gz HVXSQLUXHSESLW-XDIYQJDNSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001480045634 1392549451 /nfs/dbraw/zinc/54/94/51/1392549451.db2.gz ZBTKDDFGCYQWFC-RBUKOAKNSA-N 2 0 349.563 3.027 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001480080125 1392569733 /nfs/dbraw/zinc/56/97/33/1392569733.db2.gz TYLNOUNBTLAUNZ-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCCC1 ZINC001480180960 1392612605 /nfs/dbraw/zinc/61/26/05/1392612605.db2.gz LKUKSJTWSBGEIK-YQQQUEKLSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480188618 1392618260 /nfs/dbraw/zinc/61/82/60/1392618260.db2.gz WNDLONPBFCKYMZ-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001480300792 1392666219 /nfs/dbraw/zinc/66/62/19/1392666219.db2.gz QIKQWENNWLAXGB-PMACEKPBSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001480317340 1392677129 /nfs/dbraw/zinc/67/71/29/1392677129.db2.gz BSWBQJSWOJDMFM-XOIGSVRCSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001480330387 1392689497 /nfs/dbraw/zinc/68/94/97/1392689497.db2.gz COWPDRROTXPHQD-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001480402984 1392741418 /nfs/dbraw/zinc/74/14/18/1392741418.db2.gz KPCYPRHMQXDRKI-CTWPCTMYSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001480409827 1392746135 /nfs/dbraw/zinc/74/61/35/1392746135.db2.gz UKXIAWHGKAYFOL-YFOOIWMTSA-N 2 0 341.927 3.019 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001480595896 1392811709 /nfs/dbraw/zinc/81/17/09/1392811709.db2.gz FPWATZYENCWKRQ-RBUKOAKNSA-N 2 0 345.531 3.335 10 0 EGAERP CCCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001698874814 1406598033 /nfs/dbraw/zinc/59/80/33/1406598033.db2.gz WPEVGBLLIPSZPY-QFBILLFUSA-N 2 0 343.531 3.120 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2c(C)cccc2C)CC[N@@H+]1C ZINC001480765460 1392920486 /nfs/dbraw/zinc/92/04/86/1392920486.db2.gz KVGKJRABLVJNRR-CMKODMSKSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CCCC(C)(C)C)CC[N@@H+]1C ZINC001480765323 1392920907 /nfs/dbraw/zinc/92/09/07/1392920907.db2.gz GCZHPSAMAZCCMJ-YESZJQIVSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480774121 1392925180 /nfs/dbraw/zinc/92/51/80/1392925180.db2.gz ZCRRYFYDPGDUKV-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001480775278 1392926097 /nfs/dbraw/zinc/92/60/97/1392926097.db2.gz CNNYTIWBZYTADA-SJLPKXTDSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698879076 1406606618 /nfs/dbraw/zinc/60/66/18/1406606618.db2.gz DYOIWKCCKOZSFA-BHIYHBOVSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1c(C)cccc1C ZINC001480980271 1393063616 /nfs/dbraw/zinc/06/36/16/1393063616.db2.gz LNEBKWHIHQOHKM-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC001481019558 1393095921 /nfs/dbraw/zinc/09/59/21/1393095921.db2.gz XEZAHXRFDQRTHK-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001481045906 1393105575 /nfs/dbraw/zinc/10/55/75/1393105575.db2.gz DGMGRSPMDFRAML-SJLPKXTDSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001481118840 1393124533 /nfs/dbraw/zinc/12/45/33/1393124533.db2.gz NCJXDDGQYOBSDW-SJORKVTESA-N 2 0 349.494 3.057 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001481179397 1393142947 /nfs/dbraw/zinc/14/29/47/1393142947.db2.gz AMCFKUQSUPJNKV-KRWDZBQOSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001481317514 1393162620 /nfs/dbraw/zinc/16/26/20/1393162620.db2.gz HNXQMHNVLDMBQR-QZTJIDSGSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001481343009 1393168767 /nfs/dbraw/zinc/16/87/67/1393168767.db2.gz KZKDBLVVSMICND-SFHVURJKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]CCC1CCCC1 ZINC001698922740 1406658048 /nfs/dbraw/zinc/65/80/48/1406658048.db2.gz HFHJZASUOISDBD-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001481390654 1394230674 /nfs/dbraw/zinc/23/06/74/1394230674.db2.gz MGXNMPMRNFWYAU-QGFMHUBQSA-N 2 0 349.563 3.361 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001490597278 1394278876 /nfs/dbraw/zinc/27/88/76/1394278876.db2.gz OOHUMTHLHHBQNF-HKVOBHHDSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481462040 1394318559 /nfs/dbraw/zinc/31/85/59/1394318559.db2.gz NQJNTJSDSXRQSO-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001490776178 1394340483 /nfs/dbraw/zinc/34/04/83/1394340483.db2.gz PTPQKVDSRQTHEG-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001490799852 1394349167 /nfs/dbraw/zinc/34/91/67/1394349167.db2.gz JDMXKLZLDKOJIO-HDICACEKSA-N 2 0 335.536 3.116 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001698949623 1406689711 /nfs/dbraw/zinc/68/97/11/1406689711.db2.gz IWLPKQYTMXKJAJ-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491126873 1394443978 /nfs/dbraw/zinc/44/39/78/1394443978.db2.gz VAVOTKKVAILERQ-PRPIBZDOSA-N 2 0 349.563 3.293 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001491132356 1394446694 /nfs/dbraw/zinc/44/66/94/1394446694.db2.gz BVVAUGOEKTUEAR-LLHWWHOWSA-N 2 0 335.536 3.047 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153529 1394452534 /nfs/dbraw/zinc/45/25/34/1394452534.db2.gz LTGCDYAAPUOEAL-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481702701 1394462098 /nfs/dbraw/zinc/46/20/98/1394462098.db2.gz DLSOKKLNXABBPG-MJGOQNOKSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491191159 1394464995 /nfs/dbraw/zinc/46/49/95/1394464995.db2.gz PZTGZAWGGCVBIN-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001491226359 1394482710 /nfs/dbraw/zinc/48/27/10/1394482710.db2.gz PZFVXXPKIGAINY-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001491236389 1394488943 /nfs/dbraw/zinc/48/89/43/1394488943.db2.gz KYKLFZKMSUSHEW-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCCC2)C1 ZINC001491269492 1394497712 /nfs/dbraw/zinc/49/77/12/1394497712.db2.gz DPWCAPRETZGQMS-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491302501 1394502167 /nfs/dbraw/zinc/50/21/67/1394502167.db2.gz WVJXYMFNZBDNIG-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001481777406 1394521858 /nfs/dbraw/zinc/52/18/58/1394521858.db2.gz IAYWORIOSVEWMS-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855286 1394560852 /nfs/dbraw/zinc/56/08/52/1394560852.db2.gz KNVUZQAMRLSUCS-AZUAARDMSA-N 2 0 345.531 3.244 10 0 EGAERP Cc1cc(C[NH2+]CC2(NC(=O)[C@@H]3CCCC[N@H+]3C)CCCC2)cs1 ZINC001481903348 1394588427 /nfs/dbraw/zinc/58/84/27/1394588427.db2.gz AJBKPSZXRTVDMU-KRWDZBQOSA-N 2 0 349.544 3.059 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001481983531 1394644529 /nfs/dbraw/zinc/64/45/29/1394644529.db2.gz STBLVPWQXXPPAR-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP C[C@@H]([NH2+]CCC1CCN(C(=O)C[NH+]2CCCC2)CC1)c1ccccc1 ZINC001482008298 1394668257 /nfs/dbraw/zinc/66/82/57/1394668257.db2.gz NRRMZMCUJVPVMF-GOSISDBHSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001482018781 1394675116 /nfs/dbraw/zinc/67/51/16/1394675116.db2.gz UCEODVCOMSJDNA-CPLYBDICSA-N 2 0 337.552 3.170 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001482026130 1394683936 /nfs/dbraw/zinc/68/39/36/1394683936.db2.gz RAVRDTQHVOVBLS-IYARVYRRSA-N 2 0 349.544 3.141 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001482026051 1394684210 /nfs/dbraw/zinc/68/42/10/1394684210.db2.gz FJHRTLSLFVUOGD-MKXGPGLRSA-N 2 0 335.536 3.090 10 0 EGAERP CCCCCC[NH+]1CCC(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001482049678 1394711810 /nfs/dbraw/zinc/71/18/10/1394711810.db2.gz FLEXNZZBZFZZHA-NRFANRHFSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)CC2 ZINC001482069121 1394730908 /nfs/dbraw/zinc/73/09/08/1394730908.db2.gz RXRGLZRSAQDRLZ-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222491 1394816486 /nfs/dbraw/zinc/81/64/86/1394816486.db2.gz MNOOFMBUFCANML-OALUTQOASA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001482284278 1394864747 /nfs/dbraw/zinc/86/47/47/1394864747.db2.gz MJOZCABDVCBMKN-DLBZAZTESA-N 2 0 325.541 3.122 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001482354667 1394917925 /nfs/dbraw/zinc/91/79/25/1394917925.db2.gz SZADAIFXZUQYAA-QFBILLFUSA-N 2 0 333.520 3.087 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001482368738 1394931201 /nfs/dbraw/zinc/93/12/01/1394931201.db2.gz IWBWANIYWNHTGI-QGZVFWFLSA-N 2 0 333.520 3.087 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001482478237 1395032220 /nfs/dbraw/zinc/03/22/20/1395032220.db2.gz LFFCCYCGPLLNBZ-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482495258 1395047354 /nfs/dbraw/zinc/04/73/54/1395047354.db2.gz NJLTUVRYBMPZLA-YLJYHZDGSA-N 2 0 345.531 3.031 10 0 EGAERP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001483816017 1395101269 /nfs/dbraw/zinc/10/12/69/1395101269.db2.gz LVJIENRGZXZXRM-MBOZVWFJSA-N 2 0 349.563 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001483950734 1395158400 /nfs/dbraw/zinc/15/84/00/1395158400.db2.gz QMDLHWAUIOQMKA-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001484397031 1395366456 /nfs/dbraw/zinc/36/64/56/1395366456.db2.gz YBAPLFRDPZNXGZ-MUGJNUQGSA-N 2 0 349.563 3.316 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001484463561 1395397873 /nfs/dbraw/zinc/39/78/73/1395397873.db2.gz HKFIPZBDOXUNPI-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001484559739 1395442653 /nfs/dbraw/zinc/44/26/53/1395442653.db2.gz KJYFNJIHYVQRJL-LPHOPBHVSA-N 2 0 345.531 3.484 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001484562827 1395448573 /nfs/dbraw/zinc/44/85/73/1395448573.db2.gz HERFILQSNKLVSK-SJLPKXTDSA-N 2 0 331.504 3.095 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001484716475 1395476359 /nfs/dbraw/zinc/47/63/59/1395476359.db2.gz KPLVBCWPYYUWHT-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001484716474 1395477251 /nfs/dbraw/zinc/47/72/51/1395477251.db2.gz KPLVBCWPYYUWHT-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001484723912 1395487648 /nfs/dbraw/zinc/48/76/48/1395487648.db2.gz KYGGBTBVHVPTCF-VQTJNVASSA-N 2 0 343.515 3.060 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001484886417 1395585181 /nfs/dbraw/zinc/58/51/81/1395585181.db2.gz COIPXPQSSLRNTJ-PLQXZHKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H]2CC[NH+](CC3CCCC3)C2)C1 ZINC001485082420 1395651546 /nfs/dbraw/zinc/65/15/46/1395651546.db2.gz OLNOCEGMXRDUJZ-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185435 1395691716 /nfs/dbraw/zinc/69/17/16/1395691716.db2.gz FCDWRERNQHAISO-IAGOWNOFSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001485260546 1395746826 /nfs/dbraw/zinc/74/68/26/1395746826.db2.gz RWFMSVCXARZRRK-IAGOWNOFSA-N 2 0 343.531 3.072 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH+](C)Cc2ccccc2C)C1 ZINC001485342395 1395814893 /nfs/dbraw/zinc/81/48/93/1395814893.db2.gz SEGUVTUFIHFMRN-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCC1 ZINC001485342372 1395815529 /nfs/dbraw/zinc/81/55/29/1395815529.db2.gz RRFDSICMRNCNBJ-VQIMIIECSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001485483241 1395968123 /nfs/dbraw/zinc/96/81/23/1395968123.db2.gz WPIQVMHJZWEPCT-FHWLQOOXSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1 ZINC001485695069 1396104422 /nfs/dbraw/zinc/10/44/22/1396104422.db2.gz ACAHBAMCBNVBTG-LNLFQRSKSA-N 2 0 345.531 3.210 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001486089219 1396176455 /nfs/dbraw/zinc/17/64/55/1396176455.db2.gz OXCJBTHGHTZZMX-YLJYHZDGSA-N 2 0 345.531 3.174 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001486210233 1396182949 /nfs/dbraw/zinc/18/29/49/1396182949.db2.gz JAZDMBVIHLUSND-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486238209 1396186843 /nfs/dbraw/zinc/18/68/43/1396186843.db2.gz NGSPQTHSVRWSBB-QWPQOLDESA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486248577 1396188973 /nfs/dbraw/zinc/18/89/73/1396188973.db2.gz XIGUQXTVJQINFX-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492166288 1396311393 /nfs/dbraw/zinc/31/13/93/1396311393.db2.gz LJKVPZXSMSARON-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001494241923 1396407675 /nfs/dbraw/zinc/40/76/75/1396407675.db2.gz WBFZUOLJOBMXIN-ZYHOBAKYSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C[NH2+]CCCC(C)(C)C)cc2)C1 ZINC001495497137 1396538675 /nfs/dbraw/zinc/53/86/75/1396538675.db2.gz FQGWNIAJDDTKPC-IBGZPJMESA-N 2 0 345.531 3.170 10 0 EGAERP C[C@@H](C[NH2+]CC/C=C\c1ccccc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082768 1396598267 /nfs/dbraw/zinc/59/82/67/1396598267.db2.gz UCNMRZWWAMPWTO-ZHJQRIIBSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001496294480 1396636452 /nfs/dbraw/zinc/63/64/52/1396636452.db2.gz HVYFNUHPSLRJEH-NQIIRXRSSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001496325656 1396651107 /nfs/dbraw/zinc/65/11/07/1396651107.db2.gz JFZFZCZFNWQXOW-GOSISDBHSA-N 2 0 339.568 3.418 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)CC1 ZINC001496415248 1396698663 /nfs/dbraw/zinc/69/86/63/1396698663.db2.gz OHJRHNQCFFQMGH-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]CC1CC1 ZINC001689126297 1396931633 /nfs/dbraw/zinc/93/16/33/1396931633.db2.gz HHKBYBSNLDLBLG-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@@H]21 ZINC001689147116 1396947930 /nfs/dbraw/zinc/94/79/30/1396947930.db2.gz RYHRQNYZWGTAME-MISYRCLQSA-N 2 0 349.563 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CC3CCCCCC3)CC[C@@H]2C1 ZINC001689238921 1396987087 /nfs/dbraw/zinc/98/70/87/1396987087.db2.gz QZYFFBCNOFPKGY-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699024285 1406859934 /nfs/dbraw/zinc/85/99/34/1406859934.db2.gz WWJCPVPZPAPQHO-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001689267071 1396998480 /nfs/dbraw/zinc/99/84/80/1396998480.db2.gz DENPQKFKDDQVGZ-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001689267314 1396998571 /nfs/dbraw/zinc/99/85/71/1396998571.db2.gz HYZMFIWILUIIGP-PHWHVTFISA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267991 1396999255 /nfs/dbraw/zinc/99/92/55/1396999255.db2.gz VSFKTQIVQQFYNH-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001689298493 1397024561 /nfs/dbraw/zinc/02/45/61/1397024561.db2.gz FIFDOPFEIGIFMF-IWOQZAADSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001689362859 1403699364 /nfs/dbraw/zinc/69/93/64/1403699364.db2.gz IPJZRYWRPCXUKM-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001689809794 1404149324 /nfs/dbraw/zinc/14/93/24/1404149324.db2.gz GWJPFQMVUGAMRX-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689908366 1404200457 /nfs/dbraw/zinc/20/04/57/1404200457.db2.gz BVVLJPOUTLDJPX-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)CCC(C)(C)C ZINC001689970642 1404235165 /nfs/dbraw/zinc/23/51/65/1404235165.db2.gz WEPHUMIQLIZIFA-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001690002326 1404248610 /nfs/dbraw/zinc/24/86/10/1404248610.db2.gz GLBQQMJTDDRVGO-IBGZPJMESA-N 2 0 335.536 3.163 10 0 EGAERP CC(C)c1ccccc1C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108736 1404304833 /nfs/dbraw/zinc/30/48/33/1404304833.db2.gz OTUAMLWHBVGZFC-IBGZPJMESA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001690131798 1404327457 /nfs/dbraw/zinc/32/74/57/1404327457.db2.gz ZZYFBXDSEVODOB-HKUYNNGSSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC001690288746 1404450101 /nfs/dbraw/zinc/45/01/01/1404450101.db2.gz ITTVXNHFHLUTEC-ATZDWAIDSA-N 2 0 345.531 3.234 10 0 EGAERP CCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001690317545 1404473513 /nfs/dbraw/zinc/47/35/13/1404473513.db2.gz HUHURLYCHFCYBD-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001690380448 1404512428 /nfs/dbraw/zinc/51/24/28/1404512428.db2.gz AAHVQYMPQLGIFW-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001690413944 1404545694 /nfs/dbraw/zinc/54/56/94/1404545694.db2.gz NPEBWENXCOWORL-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001690487439 1404601993 /nfs/dbraw/zinc/60/19/93/1404601993.db2.gz UABJWRKBIURDSA-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505461 1404618132 /nfs/dbraw/zinc/61/81/32/1404618132.db2.gz SSBZEFNEAPSVHA-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001690735465 1404702931 /nfs/dbraw/zinc/70/29/31/1404702931.db2.gz ZNSRQKIFABWCEQ-MSOLQXFVSA-N 2 0 345.531 3.261 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788980 1404736085 /nfs/dbraw/zinc/73/60/85/1404736085.db2.gz YEBYAYRLYBFFLU-MOPGFXCFSA-N 2 0 335.536 3.234 10 0 EGAERP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690814476 1404749004 /nfs/dbraw/zinc/74/90/04/1404749004.db2.gz GMGSQILILSQFBJ-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001690843373 1404772972 /nfs/dbraw/zinc/77/29/72/1404772972.db2.gz WESXICQVBLURHO-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001690843366 1404773060 /nfs/dbraw/zinc/77/30/60/1404773060.db2.gz WAWXYWYJTICPCL-PKOBYXMFSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001690843364 1404773119 /nfs/dbraw/zinc/77/31/19/1404773119.db2.gz WAWXYWYJTICPCL-IEBWSBKVSA-N 2 0 335.536 3.234 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001690857538 1404780106 /nfs/dbraw/zinc/78/01/06/1404780106.db2.gz KJPPBVTUHAZNMH-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001690872411 1404788222 /nfs/dbraw/zinc/78/82/22/1404788222.db2.gz XFBTXZKNSZTZPV-GOSISDBHSA-N 2 0 349.563 3.482 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001690881119 1404794528 /nfs/dbraw/zinc/79/45/28/1404794528.db2.gz JYJJCOJHCQKJQV-XLIONFOSSA-N 2 0 345.531 3.108 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1c(C)cccc1C ZINC001691033909 1404943386 /nfs/dbraw/zinc/94/33/86/1404943386.db2.gz CIZWMFCGHBRIRV-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)C[NH+]2CC[C@H](C)C2)C(C)C)cc1 ZINC001725730586 1426400276 /nfs/dbraw/zinc/40/02/76/1426400276.db2.gz XQYZBUSFTZYFGZ-IBGZPJMESA-N 2 0 345.531 3.006 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001691485933 1405296708 /nfs/dbraw/zinc/29/67/08/1405296708.db2.gz ZOCFIIDABVABKF-IPMKNSEASA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cc(C)ccc1C ZINC001691496074 1405303027 /nfs/dbraw/zinc/30/30/27/1405303027.db2.gz JRZCJAIBBGARFK-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CCc1ccccc1C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001691500643 1405304700 /nfs/dbraw/zinc/30/47/00/1405304700.db2.gz RVCRIFSQPKFALU-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCCC[C@H]([NH2+]CCC(C)C)C1 ZINC001691621157 1405361993 /nfs/dbraw/zinc/36/19/93/1405361993.db2.gz SVUMIRXIRTTWNU-ROUUACIJSA-N 2 0 343.531 3.073 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691632612 1405368998 /nfs/dbraw/zinc/36/89/98/1405368998.db2.gz MTPDMGFGSBNMSI-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001691670791 1405405215 /nfs/dbraw/zinc/40/52/15/1405405215.db2.gz ULDYHZXYGVVXJE-LYBXBRPPSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1C ZINC001691705001 1405434815 /nfs/dbraw/zinc/43/48/15/1405434815.db2.gz AQYHPOAYLCWJKP-LMMKCTJWSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCCC1CCC1 ZINC001691738086 1405460509 /nfs/dbraw/zinc/46/05/09/1405460509.db2.gz HJXINHQYSQVCCM-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001691863846 1405581939 /nfs/dbraw/zinc/58/19/39/1405581939.db2.gz CKNVKNOXURMUJO-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP O=C(NCC[C@@H]1CC[N@H+](CCC2CC2)C1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001691893716 1405617221 /nfs/dbraw/zinc/61/72/21/1405617221.db2.gz UIEYFRWCKNGTFI-UYAOXDASSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001691979731 1405693108 /nfs/dbraw/zinc/69/31/08/1405693108.db2.gz RRIZWMJOJUJFMW-WOJBJXKFSA-N 2 0 349.563 3.243 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001691989752 1405703818 /nfs/dbraw/zinc/70/38/18/1405703818.db2.gz MZHIXEJLZNPQEL-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001692141975 1405797107 /nfs/dbraw/zinc/79/71/07/1405797107.db2.gz MRTSHMWFCBRHRP-GBESFXJTSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CCC(C)CC1 ZINC001692224298 1405854549 /nfs/dbraw/zinc/85/45/49/1405854549.db2.gz UKBOAAVQGSOKEX-CHPDAQJUSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CCC1CC1 ZINC001692223297 1405855346 /nfs/dbraw/zinc/85/53/46/1405855346.db2.gz BXDUXNNEOTZWOF-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001692333271 1405953027 /nfs/dbraw/zinc/95/30/27/1405953027.db2.gz MJBQTJICRWOFDP-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCC1)C1CCCCC1 ZINC001692371206 1405979916 /nfs/dbraw/zinc/97/99/16/1405979916.db2.gz WBJOEXBAACUNHP-PMACEKPBSA-N 2 0 347.547 3.116 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001692394889 1405996032 /nfs/dbraw/zinc/99/60/32/1405996032.db2.gz VQSOZAJNVXNHAC-QYZOEREBSA-N 2 0 337.552 3.266 10 0 EGAERP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001698561980 1406162983 /nfs/dbraw/zinc/16/29/83/1406162983.db2.gz HWSDUFWJMCECQR-GOSISDBHSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732070530 1428319372 /nfs/dbraw/zinc/31/93/72/1428319372.db2.gz HTTFUCZIJJYZEN-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001732218778 1428467143 /nfs/dbraw/zinc/46/71/43/1428467143.db2.gz XICTYEYCVCHXCA-LJQANCHMSA-N 2 0 349.563 3.029 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001732232519 1428479165 /nfs/dbraw/zinc/47/91/65/1428479165.db2.gz BJNWHWAQUFGBSP-GOSISDBHSA-N 2 0 345.531 3.335 10 0 EGAERP C[N@H+](CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)C1CCCCC1 ZINC001732328270 1428535452 /nfs/dbraw/zinc/53/54/52/1428535452.db2.gz WFIMVPOHSFKSAS-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001732392188 1428560985 /nfs/dbraw/zinc/56/09/85/1428560985.db2.gz FNIIVTRYVSLYCS-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001732400285 1428566281 /nfs/dbraw/zinc/56/62/81/1428566281.db2.gz YURGHEHDECJYRI-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001732497622 1428618961 /nfs/dbraw/zinc/61/89/61/1428618961.db2.gz CGQWTEBNZLAJBP-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001732497821 1428619735 /nfs/dbraw/zinc/61/97/35/1428619735.db2.gz FKUCBVPTONRJQJ-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC=C(C)C)C1 ZINC001732513500 1428632406 /nfs/dbraw/zinc/63/24/06/1428632406.db2.gz WVGCDEPDJVMPNM-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001699257029 1412600657 /nfs/dbraw/zinc/60/06/57/1412600657.db2.gz JOIUIKAPBDIFAH-BLGFXRMMSA-N 2 0 343.515 3.274 10 0 EGAERP CC(C)c1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001699293968 1412619129 /nfs/dbraw/zinc/61/91/29/1412619129.db2.gz HHBSGEOYZKZRSP-XJDXJNMNSA-N 2 0 343.515 3.056 10 0 EGAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001699312946 1412632720 /nfs/dbraw/zinc/63/27/20/1412632720.db2.gz ALOSBCOTXREKSM-VMFSEBQZSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]CCC(C)(C)C)cc1 ZINC001699322211 1412638485 /nfs/dbraw/zinc/63/84/85/1412638485.db2.gz VWWDASINCKEQBN-SREVYHEPSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001699372148 1412679731 /nfs/dbraw/zinc/67/97/31/1412679731.db2.gz CJENRSUZMUBALX-QGZVFWFLSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001699406509 1412719961 /nfs/dbraw/zinc/71/99/61/1412719961.db2.gz ZATMFVWEJLUIED-INIZCTEOSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001699579847 1412935868 /nfs/dbraw/zinc/93/58/68/1412935868.db2.gz STXVXINPRSIECO-OALUTQOASA-N 2 0 349.563 3.027 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC2CCCCCC2)C2CC2)CC1 ZINC001699592353 1412952092 /nfs/dbraw/zinc/95/20/92/1412952092.db2.gz HCCYMGKUWDTHRB-FQEVSTJZSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CCCCCC1 ZINC001699682934 1413076900 /nfs/dbraw/zinc/07/69/00/1413076900.db2.gz CDWXCWVDGNPDEF-RBUKOAKNSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001699683795 1413078955 /nfs/dbraw/zinc/07/89/55/1413078955.db2.gz KIHSKYSURAJERC-MOPGFXCFSA-N 2 0 347.547 3.116 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001699796543 1413205100 /nfs/dbraw/zinc/20/51/00/1413205100.db2.gz VDQGMKZIRATMST-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CC1(C)CC(C[N@@H+]2CC[C@](C)(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001699823007 1413246106 /nfs/dbraw/zinc/24/61/06/1413246106.db2.gz BYXVXDDYPMNXMC-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](CCC2CCCCC2)C1 ZINC001699828206 1413256376 /nfs/dbraw/zinc/25/63/76/1413256376.db2.gz ZSJLFOPGPKTIBH-FQEVSTJZSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001699867641 1413308651 /nfs/dbraw/zinc/30/86/51/1413308651.db2.gz CDBXVPDBFJDLTN-TZIWHRDSSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCCC1)C2 ZINC001699928927 1413369577 /nfs/dbraw/zinc/36/95/77/1413369577.db2.gz GFXBPMVZMKKESV-UFYCRDLUSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699945541 1413389691 /nfs/dbraw/zinc/38/96/91/1413389691.db2.gz UQTKBKFOJHPWDF-OALUTQOASA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC(C)(C)C)C2 ZINC001699975183 1413415518 /nfs/dbraw/zinc/41/55/18/1413415518.db2.gz KABGJMGUHGRQNJ-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCC2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001732550110 1428730092 /nfs/dbraw/zinc/73/00/92/1428730092.db2.gz FZUAUEJUVQBFKR-UHFFFAOYSA-N 2 0 345.531 3.007 10 0 EGAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001700101522 1413519135 /nfs/dbraw/zinc/51/91/35/1413519135.db2.gz IDMQAQVQTRHJKL-WTGUMLROSA-N 2 0 347.547 3.068 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001700105639 1413524006 /nfs/dbraw/zinc/52/40/06/1413524006.db2.gz OXBMADQZXWUGBY-IHPCNDPISA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001700132126 1413548313 /nfs/dbraw/zinc/54/83/13/1413548313.db2.gz PUUBCPJBIOVNQZ-LJQANCHMSA-N 2 0 349.563 3.458 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700203225 1413647650 /nfs/dbraw/zinc/64/76/50/1413647650.db2.gz QHYIUELSBZWVBM-RRFGBZISSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001700219684 1413664612 /nfs/dbraw/zinc/66/46/12/1413664612.db2.gz CEZUIZDRZCTSLP-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001700221037 1413667478 /nfs/dbraw/zinc/66/74/78/1413667478.db2.gz CLFPMKRNFFRKFG-UHFFFAOYSA-N 2 0 337.552 3.291 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001700283389 1413729834 /nfs/dbraw/zinc/72/98/34/1413729834.db2.gz GUUHCEAMBPXQAR-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001732562479 1428753091 /nfs/dbraw/zinc/75/30/91/1428753091.db2.gz CLHLCNGSRZERHB-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1=CCCCC1 ZINC001700316917 1413776599 /nfs/dbraw/zinc/77/65/99/1413776599.db2.gz ACSOJYXRLRMRTA-PKOBYXMFSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001700361717 1413875880 /nfs/dbraw/zinc/87/58/80/1413875880.db2.gz BHSJZOXJMBNQEC-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001700379312 1413906282 /nfs/dbraw/zinc/90/62/82/1413906282.db2.gz SZKUWJRUWQWASD-ACBHZAAOSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001700418866 1413966175 /nfs/dbraw/zinc/96/61/75/1413966175.db2.gz UWWWPDKGIZENDC-IAGOWNOFSA-N 2 0 337.552 3.338 10 0 EGAERP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001700475713 1414101786 /nfs/dbraw/zinc/10/17/86/1414101786.db2.gz FWAZRLKHSXDUGO-UYAOXDASSA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCCC3CCC3)C[C@]2(C)C1 ZINC001700622885 1414294357 /nfs/dbraw/zinc/29/43/57/1414294357.db2.gz BSNKFQNZIHMCPF-OYRHEFFESA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCN(C)C(=O)CC[C@H]1CCC[NH+]1C ZINC001732584819 1428796070 /nfs/dbraw/zinc/79/60/70/1428796070.db2.gz CHVJCWMCPRASSD-VQIMIIECSA-N 2 0 349.494 3.151 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001700697506 1414356250 /nfs/dbraw/zinc/35/62/50/1414356250.db2.gz CVWRAVVFNKKTSS-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001700779378 1414460945 /nfs/dbraw/zinc/46/09/45/1414460945.db2.gz AQVSBBRJJBVKSC-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001700848451 1414497055 /nfs/dbraw/zinc/49/70/55/1414497055.db2.gz VCUYQUWSPJZRIO-QFBILLFUSA-N 2 0 331.504 3.131 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001700862940 1414512413 /nfs/dbraw/zinc/51/24/13/1414512413.db2.gz KQZNPBGSPUGUAI-NSHGMRRFSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2 ZINC001700864168 1414514242 /nfs/dbraw/zinc/51/42/42/1414514242.db2.gz DRISJFOQLCZYRW-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C2CC[NH+](CC3CCC3)CC2)CC1 ZINC001701032997 1414697451 /nfs/dbraw/zinc/69/74/51/1414697451.db2.gz UTXVHUPNJNBPOG-IRXDYDNUSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCC3)CC[C@H]21 ZINC001732604237 1428857002 /nfs/dbraw/zinc/85/70/02/1428857002.db2.gz LZFYORCOJPTREU-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734829 1428935841 /nfs/dbraw/zinc/93/58/41/1428935841.db2.gz UEEMIWGXJGILIK-WMZOPIPTSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001732850463 1429009239 /nfs/dbraw/zinc/00/92/39/1429009239.db2.gz JBKQSVABCANJIE-CFPAGDMOSA-N 2 0 343.515 3.191 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001732908687 1429042346 /nfs/dbraw/zinc/04/23/46/1429042346.db2.gz OCTKLEZIPHDHKU-RRFGBZISSA-N 2 0 343.515 3.020 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001733003372 1429124334 /nfs/dbraw/zinc/12/43/34/1429124334.db2.gz UOTXYKGQAVWOOI-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC[N@@H+]1C[C@@H](C)CC(C)C ZINC001707198061 1417240900 /nfs/dbraw/zinc/24/09/00/1417240900.db2.gz OQCQWALNGXSLGC-GBESFXJTSA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001707203887 1417243918 /nfs/dbraw/zinc/24/39/18/1417243918.db2.gz NFCZYLMLSTXTTI-WMYYGJRPSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001707232037 1417253956 /nfs/dbraw/zinc/25/39/56/1417253956.db2.gz BXJPMNVXQBQGEL-MOPGFXCFSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001707282059 1417292174 /nfs/dbraw/zinc/29/21/74/1417292174.db2.gz NZYIMDSHMOHFQP-KRWDZBQOSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707438467 1417343121 /nfs/dbraw/zinc/34/31/21/1417343121.db2.gz IXQHODKTQKJRDJ-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC1CCCCC1 ZINC001707464826 1417366268 /nfs/dbraw/zinc/36/62/68/1417366268.db2.gz RZPBMEXJMXEQEA-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001707481905 1417378545 /nfs/dbraw/zinc/37/85/45/1417378545.db2.gz XBVPHWKDSHVRPM-KRWDZBQOSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001712952597 1417509759 /nfs/dbraw/zinc/50/97/59/1417509759.db2.gz PYDQPQMXBJVWLV-SJORKVTESA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CCCC1)[C@@H](C)c1cc(C)ccc1C ZINC001713030092 1417581518 /nfs/dbraw/zinc/58/15/18/1417581518.db2.gz UTLKUHIBHQJCKM-IBGZPJMESA-N 2 0 345.531 3.288 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001713102243 1417656823 /nfs/dbraw/zinc/65/68/23/1417656823.db2.gz RLIAGLBEKGOIBZ-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001713205346 1417775571 /nfs/dbraw/zinc/77/55/71/1417775571.db2.gz UWYLOOKWPYFURH-FFZOFVMBSA-N 2 0 349.563 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001713224626 1417813030 /nfs/dbraw/zinc/81/30/30/1417813030.db2.gz YUVVECXWCTYVBR-SJORKVTESA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713246926 1417832996 /nfs/dbraw/zinc/83/29/96/1417832996.db2.gz UTQBDHBLEAVMDV-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](C)C ZINC001713253571 1417847989 /nfs/dbraw/zinc/84/79/89/1417847989.db2.gz SQKALEFXBBPVQM-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1cc(C)ccc1C)[NH+](C)C ZINC001713253688 1417848833 /nfs/dbraw/zinc/84/88/33/1417848833.db2.gz SYLIUOAREGYVPQ-WOJBJXKFSA-N 2 0 345.531 3.114 10 0 EGAERP CC1(C)CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC1 ZINC001713258672 1417864605 /nfs/dbraw/zinc/86/46/05/1417864605.db2.gz CBBJCHAILXKIDA-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001733065838 1429219406 /nfs/dbraw/zinc/21/94/06/1429219406.db2.gz JRKKFHNJTZGKNG-QGZVFWFLSA-N 2 0 333.520 3.087 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001713291459 1417919096 /nfs/dbraw/zinc/91/90/96/1417919096.db2.gz MLKGVIFMRKALCQ-HDYDNRTBSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713398955 1418018457 /nfs/dbraw/zinc/01/84/57/1418018457.db2.gz BNFLUDKJNNHSPK-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H](CCNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001713417617 1418041373 /nfs/dbraw/zinc/04/13/73/1418041373.db2.gz YCIDYBRVOPGDRF-MRXNPFEDSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C[C@@H]2CC[NH+](C)C2)cc1 ZINC001713473284 1418147521 /nfs/dbraw/zinc/14/75/21/1418147521.db2.gz SXDCLMNTDXEPSK-MSOLQXFVSA-N 2 0 345.531 3.261 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713505580 1418228050 /nfs/dbraw/zinc/22/80/50/1418228050.db2.gz FYBLJUNGSHJKPK-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001733118692 1429249470 /nfs/dbraw/zinc/24/94/70/1429249470.db2.gz SJVBGCQLCZWJBZ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC2CCC(C)CC2)C2CC2)CC[N@@H+]1C ZINC001713557388 1418350843 /nfs/dbraw/zinc/35/08/43/1418350843.db2.gz PMAJTLIMOZXFHA-ZYKFHVCXSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+]CCCN(C)C(=O)CC[NH+](C)C)c(C)c1C ZINC001733123509 1429251729 /nfs/dbraw/zinc/25/17/29/1429251729.db2.gz JGEADHTVDIRPSA-UHFFFAOYSA-N 2 0 347.547 3.119 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001713619851 1418396574 /nfs/dbraw/zinc/39/65/74/1418396574.db2.gz SFQLUQQIUDRQHQ-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CN(CCC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733131416 1429255750 /nfs/dbraw/zinc/25/57/50/1429255750.db2.gz SRJCSUNJGKQCIG-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001713676298 1418428413 /nfs/dbraw/zinc/42/84/13/1418428413.db2.gz BQCPMBRCARQBIS-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001713683632 1418436389 /nfs/dbraw/zinc/43/63/89/1418436389.db2.gz AXLGUZYJHSLWJN-SFHVURJKSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713751385 1418553206 /nfs/dbraw/zinc/55/32/06/1418553206.db2.gz UBZQOUQXNZMORY-ICSRJNTNSA-N 2 0 347.547 3.140 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](Cc1ccccc1)C1CC1 ZINC001713775415 1418591134 /nfs/dbraw/zinc/59/11/34/1418591134.db2.gz INDMWROXYSQMSL-HDICACEKSA-N 2 0 343.515 3.030 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001713794107 1418613680 /nfs/dbraw/zinc/61/36/80/1418613680.db2.gz AQEINSJJQDPVFO-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001713889402 1418685702 /nfs/dbraw/zinc/68/57/02/1418685702.db2.gz OBBNGRFAOXSDMU-UXHICEINSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713977950 1418759343 /nfs/dbraw/zinc/75/93/43/1418759343.db2.gz KTBXLXVKNQFJMV-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714040284 1418830102 /nfs/dbraw/zinc/83/01/02/1418830102.db2.gz VUJBZHHCLSNHBV-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714050142 1418848720 /nfs/dbraw/zinc/84/87/20/1418848720.db2.gz OHKLBNGNDJFTBI-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)[NH+](CC)CC ZINC001714115742 1418918153 /nfs/dbraw/zinc/91/81/53/1418918153.db2.gz UFDBPFMWGHKFBE-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714116551 1418919546 /nfs/dbraw/zinc/91/95/46/1418919546.db2.gz OLKJXXFZUAHYCU-PHWHVTFISA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCCC[NH+]1CCCC(C)C ZINC001714117740 1418921582 /nfs/dbraw/zinc/92/15/82/1418921582.db2.gz CNQMFXKKKRTDBV-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1CCC([NH2+]CC2CCCC2)CC1 ZINC001714200712 1419004766 /nfs/dbraw/zinc/00/47/66/1419004766.db2.gz YMWYZJSURYNUAQ-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001714200675 1419004811 /nfs/dbraw/zinc/00/48/11/1419004811.db2.gz XKBIBQQJDJBSGU-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001714223811 1419018282 /nfs/dbraw/zinc/01/82/82/1419018282.db2.gz BNPWFJNQGHRSSB-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001733198863 1429301348 /nfs/dbraw/zinc/30/13/48/1429301348.db2.gz MSIUMSKOADSZDD-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001714414793 1419152771 /nfs/dbraw/zinc/15/27/71/1419152771.db2.gz YKEJGMUEZPZIFE-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1ccccc1F ZINC001714484652 1419207681 /nfs/dbraw/zinc/20/76/81/1419207681.db2.gz IPGHTJWZWFWORC-HZPDHXFCSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001714489359 1419212706 /nfs/dbraw/zinc/21/27/06/1419212706.db2.gz KJXGCSTXGMSFCR-DLBZAZTESA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@H+](CCCC(C)C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001714592520 1419340221 /nfs/dbraw/zinc/34/02/21/1419340221.db2.gz OHESIKODYIXPJW-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001714731192 1419486524 /nfs/dbraw/zinc/48/65/24/1419486524.db2.gz RUURXTFOZCQWCY-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001714741195 1419489242 /nfs/dbraw/zinc/48/92/42/1419489242.db2.gz AOPKMLZJGWSXGT-UHFFFAOYSA-N 2 0 345.531 3.232 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001714772277 1419501562 /nfs/dbraw/zinc/50/15/62/1419501562.db2.gz OSOUPELAXWAYTA-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)c1 ZINC001714792895 1419511563 /nfs/dbraw/zinc/51/15/63/1419511563.db2.gz HNEOYWIFVJEFEX-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@@H](C)[NH2+]CC=C(C)C)CC2)C1 ZINC001714821004 1419531327 /nfs/dbraw/zinc/53/13/27/1419531327.db2.gz REMALYYLBBCLQI-QUCCMNQESA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883901 1419622421 /nfs/dbraw/zinc/62/24/21/1419622421.db2.gz XTKBKBFAMMNBQV-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001714884482 1419623606 /nfs/dbraw/zinc/62/36/06/1419623606.db2.gz NDHLPCXVPDSBQC-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001714884813 1419624676 /nfs/dbraw/zinc/62/46/76/1419624676.db2.gz YHDHNPMKHRRBFV-QUCCMNQESA-N 2 0 347.547 3.047 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714892850 1419632060 /nfs/dbraw/zinc/63/20/60/1419632060.db2.gz WIMMOTWLDFYVRL-RLFQVEEXSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714894232 1419633698 /nfs/dbraw/zinc/63/36/98/1419633698.db2.gz DOWJQYPVZXJWPS-UYAOXDASSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715028251 1419760587 /nfs/dbraw/zinc/76/05/87/1419760587.db2.gz CELINIFZUVISJK-PXIXMTEYSA-N 2 0 349.563 3.386 10 0 EGAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001715047852 1419788864 /nfs/dbraw/zinc/78/88/64/1419788864.db2.gz UANKBNRBBCOKFY-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1F ZINC001715076644 1419811437 /nfs/dbraw/zinc/81/14/37/1419811437.db2.gz VZWMGFLLTUIXSC-AEFFLSMTSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CCCC(C)C)CCCC2)CC[N@@H+]1C ZINC001715094393 1419835034 /nfs/dbraw/zinc/83/50/34/1419835034.db2.gz HGVOQGZMHLVVJJ-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[NH2+]C[C@@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@H]1C ZINC001715149775 1419894943 /nfs/dbraw/zinc/89/49/43/1419894943.db2.gz WPAQUIBEWKRWQJ-NQIIRXRSSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715162049 1419903265 /nfs/dbraw/zinc/90/32/65/1419903265.db2.gz QLRIDTKGSTUFBB-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715188016 1419920315 /nfs/dbraw/zinc/92/03/15/1419920315.db2.gz CJZYYYQWDAIDMQ-IVCWSTDESA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715188021 1419920507 /nfs/dbraw/zinc/92/05/07/1419920507.db2.gz CJZYYYQWDAIDMQ-VMASUYHGSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001715192168 1419924087 /nfs/dbraw/zinc/92/40/87/1419924087.db2.gz WZFRUYFOFOQIMS-WGSAOQKQSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001715192683 1419924883 /nfs/dbraw/zinc/92/48/83/1419924883.db2.gz WPNXJDXMETYFEM-MOPGFXCFSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)CC[N@@H+]1C ZINC001715192887 1419925061 /nfs/dbraw/zinc/92/50/61/1419925061.db2.gz XGJTVBXQICFQQP-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001715236130 1419966900 /nfs/dbraw/zinc/96/69/00/1419966900.db2.gz NILLCFKJQRHVGS-XLIONFOSSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001715274611 1419990033 /nfs/dbraw/zinc/99/00/33/1419990033.db2.gz XWPHXJMWFFQCCU-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+]1CCC(C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)CC1 ZINC001715302644 1420010443 /nfs/dbraw/zinc/01/04/43/1420010443.db2.gz FQIARZVPRGGAAM-UHFFFAOYSA-N 2 0 347.547 3.237 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1)[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001715323048 1420030652 /nfs/dbraw/zinc/03/06/52/1420030652.db2.gz QYSKFKCUYNRRIC-AZUAARDMSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715364652 1420061601 /nfs/dbraw/zinc/06/16/01/1420061601.db2.gz DAEIJDHHKWQDLW-IAGOWNOFSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001715423042 1420114485 /nfs/dbraw/zinc/11/44/85/1420114485.db2.gz FZDNLAMXBBGCGG-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715433349 1420121356 /nfs/dbraw/zinc/12/13/56/1420121356.db2.gz BWFWZACWGNMYIQ-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441183 1420126374 /nfs/dbraw/zinc/12/63/74/1420126374.db2.gz YAVKWOVFVQDZTR-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)C(C)C ZINC001715492783 1420174356 /nfs/dbraw/zinc/17/43/56/1420174356.db2.gz JZAQLYQTTHBVOM-OALUTQOASA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715659368 1420282726 /nfs/dbraw/zinc/28/27/26/1420282726.db2.gz MJMRQONNQXYEFG-CGZBRXJRSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001715820993 1420356720 /nfs/dbraw/zinc/35/67/20/1420356720.db2.gz DLAXXLOPEDZBML-RJOJHWARSA-N 2 0 343.515 3.192 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001715830410 1420360287 /nfs/dbraw/zinc/36/02/87/1420360287.db2.gz YIEDSUURRHLPRM-LJGXYGFNSA-N 2 0 343.515 3.192 10 0 EGAERP Cc1c(C(=O)NC/C=C/C[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001715847387 1420366721 /nfs/dbraw/zinc/36/67/21/1420366721.db2.gz ZLDNHNZTCSKNHC-SNAWJCMRSA-N 2 0 340.471 3.099 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+][C@H](C)c2ccccc2)C1 ZINC001715863138 1420372302 /nfs/dbraw/zinc/37/23/02/1420372302.db2.gz LNLWPESEWPOHTQ-IELZWVCUSA-N 2 0 343.515 3.132 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001715978640 1420438650 /nfs/dbraw/zinc/43/86/50/1420438650.db2.gz KZJTTWAQCWSJBW-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)NC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001716003846 1420457834 /nfs/dbraw/zinc/45/78/34/1420457834.db2.gz ZECNZWWVTTYULH-DLBZAZTESA-N 2 0 343.515 3.061 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001716198159 1420563029 /nfs/dbraw/zinc/56/30/29/1420563029.db2.gz IMRFVMHVAGDEMR-LJQANCHMSA-N 2 0 345.531 3.164 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1F)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716222375 1420570951 /nfs/dbraw/zinc/57/09/51/1420570951.db2.gz YNDSLZKCXVFWQH-IRXDYDNUSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001716344136 1420611833 /nfs/dbraw/zinc/61/18/33/1420611833.db2.gz QHGMBGJRGXHCOA-FRAJWHGFSA-N 2 0 337.895 3.003 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716407283 1420639256 /nfs/dbraw/zinc/63/92/56/1420639256.db2.gz GDGIWOJPCUTOMY-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716409545 1420640140 /nfs/dbraw/zinc/64/01/40/1420640140.db2.gz DBPNPVUHPIWTEM-AEFFLSMTSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001716466399 1420679427 /nfs/dbraw/zinc/67/94/27/1420679427.db2.gz ZQIGMBBLPOCOPY-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001716542989 1420755806 /nfs/dbraw/zinc/75/58/06/1420755806.db2.gz YNEIBWWDFSIASR-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001716546583 1420756529 /nfs/dbraw/zinc/75/65/29/1420756529.db2.gz XNZKOJXEOIUZBK-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001716624656 1420785339 /nfs/dbraw/zinc/78/53/39/1420785339.db2.gz BQKRDXLMAWVRNQ-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001716700636 1420853486 /nfs/dbraw/zinc/85/34/86/1420853486.db2.gz KSBIADOVTUZYGZ-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001716779614 1420918305 /nfs/dbraw/zinc/91/83/05/1420918305.db2.gz FMPDCUVMGQWQLO-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001716830473 1420957759 /nfs/dbraw/zinc/95/77/59/1420957759.db2.gz QDMIPXBFWCNWDY-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001716849733 1420979677 /nfs/dbraw/zinc/97/96/77/1420979677.db2.gz CLZBFWLLNUNXJU-PZJWPPBQSA-N 2 0 345.531 3.450 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CCC3CC3)C2)C1 ZINC001716897842 1421026515 /nfs/dbraw/zinc/02/65/15/1421026515.db2.gz KFWZBALDTWBYPI-TZIWHRDSSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@@]1(C)CCC[N@H+](CC2=CCCCC2)C1 ZINC001716898172 1421027132 /nfs/dbraw/zinc/02/71/32/1421027132.db2.gz QDUHEWSHOJSGQN-HXUWFJFHSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CCC2)C1 ZINC001716900779 1421031500 /nfs/dbraw/zinc/03/15/00/1421031500.db2.gz UUBYNPAZMGSVPC-CTNGQTDRSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCC1 ZINC001716902758 1421036035 /nfs/dbraw/zinc/03/60/35/1421036035.db2.gz NHNBGDIDMOOGSC-FPOVZHCZSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001717041010 1421095357 /nfs/dbraw/zinc/09/53/57/1421095357.db2.gz RDAZAIHKRLDQQA-XMLJFVSMSA-N 2 0 347.547 3.140 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]3C[NH+](CCCC(C)(C)C)C[C@H]32)C1 ZINC001717042381 1421096758 /nfs/dbraw/zinc/09/67/58/1421096758.db2.gz PMLSCYMDMZXPND-CEXWTWQISA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111358 1421115022 /nfs/dbraw/zinc/11/50/22/1421115022.db2.gz QWWAORPXTLDQBH-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001733286673 1429460102 /nfs/dbraw/zinc/46/01/02/1429460102.db2.gz BNZKDDQAVDUWHS-QEVIJRNUSA-N 2 0 349.563 3.389 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001717159416 1421148951 /nfs/dbraw/zinc/14/89/51/1421148951.db2.gz ZJSDDKXDWYKDNH-WRFKIARRSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001717242535 1421211328 /nfs/dbraw/zinc/21/13/28/1421211328.db2.gz DGUQLTKCCVEUCU-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717292868 1421238889 /nfs/dbraw/zinc/23/88/89/1421238889.db2.gz BXRDTZPGABQSJA-FXAWDEMLSA-N 2 0 345.531 3.235 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C2(C)CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001717304909 1421246396 /nfs/dbraw/zinc/24/63/96/1421246396.db2.gz XHJQQSNBKYVYGR-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310199 1421253404 /nfs/dbraw/zinc/25/34/04/1421253404.db2.gz CPYDODWVNDNSFN-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1=CCCCC1 ZINC001717338215 1421275804 /nfs/dbraw/zinc/27/58/04/1421275804.db2.gz RQJRWCLNFKDCIP-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1=CCCCC1 ZINC001717338216 1421275919 /nfs/dbraw/zinc/27/59/19/1421275919.db2.gz RQJRWCLNFKDCIP-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001717369560 1421307206 /nfs/dbraw/zinc/30/72/06/1421307206.db2.gz OBMOFQHBIAVSTH-GOSISDBHSA-N 2 0 340.471 3.145 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001717375462 1421316913 /nfs/dbraw/zinc/31/69/13/1421316913.db2.gz YIJLHLJHLIJCRG-MOPGFXCFSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)c1sccc1C[NH+](C)C ZINC001717410756 1421342886 /nfs/dbraw/zinc/34/28/86/1421342886.db2.gz XJAKTIKMIRESTD-KGLIPLIRSA-N 2 0 337.533 3.096 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717411482 1421343637 /nfs/dbraw/zinc/34/36/37/1421343637.db2.gz SXUABRIUHQNYQF-SJORKVTESA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001717441649 1421370558 /nfs/dbraw/zinc/37/05/58/1421370558.db2.gz KJFYKLCSUDSOLQ-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CN(CC(C)(C)C[NH2+]C/C=C/Cl)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717452704 1421382488 /nfs/dbraw/zinc/38/24/88/1421382488.db2.gz OKBGITVFNXAOBF-MDZDMXLPSA-N 2 0 343.943 3.078 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001717458894 1421388286 /nfs/dbraw/zinc/38/82/86/1421388286.db2.gz IURPQMWQZOUFEC-ZWKOTPCHSA-N 2 0 337.552 3.147 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](C(C)C)CC2 ZINC001733293123 1429473478 /nfs/dbraw/zinc/47/34/78/1429473478.db2.gz PBHUSWKTSTXWRT-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1C[C@@]2(C)CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@]2(C)C1 ZINC001717631560 1421541158 /nfs/dbraw/zinc/54/11/58/1421541158.db2.gz XOUXVJXUJRBLGO-BGYRXZFFSA-N 2 0 349.563 3.077 10 0 EGAERP CN(CC(=O)N[C@H]1C[C@H](C[NH2+]CCC(C)(C)C)C1)Cc1ccccc1 ZINC001717653862 1421552382 /nfs/dbraw/zinc/55/23/82/1421552382.db2.gz NPKMHXKRJVBXBG-WGSAOQKQSA-N 2 0 345.531 3.039 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC([NH+](C)CCCC(C)C)CC2)CC[N@@H+]1C ZINC001717700639 1421573299 /nfs/dbraw/zinc/57/32/99/1421573299.db2.gz AGEDWCWMILXCCK-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CCC[NH2+]CCC[C@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001717717582 1421585287 /nfs/dbraw/zinc/58/52/87/1421585287.db2.gz ZVTGZXFJNSFXMW-IBGZPJMESA-N 2 0 343.515 3.252 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC2CCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001717827873 1421641819 /nfs/dbraw/zinc/64/18/19/1421641819.db2.gz LAEYJWMVCAVHKP-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@H]1C ZINC001717854092 1421665720 /nfs/dbraw/zinc/66/57/20/1421665720.db2.gz PKHBFLBIFNCJIG-JISXSJDESA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001717856274 1421668712 /nfs/dbraw/zinc/66/87/12/1421668712.db2.gz QTPVXIMQBGMLME-ZWKOTPCHSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CCC(C)(C)C ZINC001717857105 1421669531 /nfs/dbraw/zinc/66/95/31/1421669531.db2.gz CPAUMBQURUZBIR-IRXDYDNUSA-N 2 0 339.568 3.370 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]Cc2cccc(C)c2)C(C)(C)C1 ZINC001717905061 1421700987 /nfs/dbraw/zinc/70/09/87/1421700987.db2.gz FREFSIJCSQGBRP-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001717952338 1421723309 /nfs/dbraw/zinc/72/33/09/1421723309.db2.gz TUQGBZUXPFPWCB-RBUKOAKNSA-N 2 0 345.531 3.258 10 0 EGAERP CCc1ccccc1C[N@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001717952996 1421724475 /nfs/dbraw/zinc/72/44/75/1421724475.db2.gz UYRWYQMVMQWLJF-UHFFFAOYSA-N 2 0 345.531 3.014 10 0 EGAERP CC1CCC(C[NH2+]C[C@H](NC(=O)CCc2c[nH]cn2)C(C)(C)C)CC1 ZINC001717959416 1421731047 /nfs/dbraw/zinc/73/10/47/1421731047.db2.gz CQDBXRYZYKSXIN-HTWSVDAQSA-N 2 0 348.535 3.289 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001717981107 1421753179 /nfs/dbraw/zinc/75/31/79/1421753179.db2.gz YVQWTLDWEZUQDT-QGZVFWFLSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717983466 1421755752 /nfs/dbraw/zinc/75/57/52/1421755752.db2.gz GSDAHMIOTKDGRM-TUYSUELWSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001717985960 1421758416 /nfs/dbraw/zinc/75/84/16/1421758416.db2.gz XSSODQYSSFQIJD-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717994461 1421762940 /nfs/dbraw/zinc/76/29/40/1421762940.db2.gz GMIBYMHWGVVCRG-UUKMXZOPSA-N 2 0 349.563 3.409 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001733329304 1429514874 /nfs/dbraw/zinc/51/48/74/1429514874.db2.gz AWNLKJIUIYZTIR-FXAWDEMLSA-N 2 0 343.515 3.297 10 0 EGAERP CCCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001733406994 1429604469 /nfs/dbraw/zinc/60/44/69/1429604469.db2.gz WHFZDFPKXVNODC-FQEVSTJZSA-N 2 0 342.487 3.417 10 0 EGAERP Cc1cccc(C[NH+]2CCC(C)(CNC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001733453883 1429668663 /nfs/dbraw/zinc/66/86/63/1429668663.db2.gz YZMHICFVBIVDHO-UHFFFAOYSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CCc1c[nH]cn1)c1cccc(Cl)c1 ZINC001723037548 1424290908 /nfs/dbraw/zinc/29/09/08/1424290908.db2.gz FSKQKBIBNBFBKX-AWEZNQCLSA-N 2 0 348.878 3.195 10 0 EGAERP CCC[NH+]1CCC([C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001733512332 1429720235 /nfs/dbraw/zinc/72/02/35/1429720235.db2.gz CFOOBUCWLHQNOC-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CC2)C1 ZINC001723580351 1424473753 /nfs/dbraw/zinc/47/37/53/1424473753.db2.gz BLCZJPXGFPBLGV-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CC1CC(C)(C)C1)C2 ZINC001723690245 1424530494 /nfs/dbraw/zinc/53/04/94/1424530494.db2.gz GOMFDLJBVZHNHV-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723727298 1424550672 /nfs/dbraw/zinc/55/06/72/1424550672.db2.gz QYOBTWWCDKJQEK-SHTLVRLNSA-N 2 0 347.547 3.143 10 0 EGAERP CC1CCC(C[NH+]2CCC(C)(NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001724014357 1424629075 /nfs/dbraw/zinc/62/90/75/1424629075.db2.gz OFIHFBVOWIIKQQ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724093316 1424656637 /nfs/dbraw/zinc/65/66/37/1424656637.db2.gz ATYCJKMUBFURTD-PXNSSMCTSA-N 2 0 345.531 3.272 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC3)C2)C1)[NH+](CC)CC ZINC001724125448 1424676336 /nfs/dbraw/zinc/67/63/36/1424676336.db2.gz GMJSYSAWKLBWJU-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724172153 1424707144 /nfs/dbraw/zinc/70/71/44/1424707144.db2.gz ACZRWOGYROYBMK-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175754 1424710042 /nfs/dbraw/zinc/71/00/42/1424710042.db2.gz PQFYCESHLCAYGC-GHTZIAJQSA-N 2 0 343.515 3.032 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001724313816 1424798174 /nfs/dbraw/zinc/79/81/74/1424798174.db2.gz PPHTWZWTNCJTOB-DDRDIHNTSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001724621322 1424972732 /nfs/dbraw/zinc/97/27/32/1424972732.db2.gz VQBGCOZAKKEPJT-HXUWFJFHSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001724646356 1425002304 /nfs/dbraw/zinc/00/23/04/1425002304.db2.gz ALSLYJVZLCDRLF-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001724751646 1425121875 /nfs/dbraw/zinc/12/18/75/1425121875.db2.gz SXJLYFSHBARXHX-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001724753128 1425123504 /nfs/dbraw/zinc/12/35/04/1425123504.db2.gz YFVKBZXTZNEWDM-RBUKOAKNSA-N 2 0 345.531 3.224 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724754905 1425125460 /nfs/dbraw/zinc/12/54/60/1425125460.db2.gz LIWHWXAUAXNZAJ-GUDVDZBRSA-N 2 0 337.552 3.172 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001724858075 1425235098 /nfs/dbraw/zinc/23/50/98/1425235098.db2.gz UGKDHYWOTIOHIL-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724886722 1425270982 /nfs/dbraw/zinc/27/09/82/1425270982.db2.gz KRERXQNTORPEOH-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001724887499 1425272370 /nfs/dbraw/zinc/27/23/70/1425272370.db2.gz VZKUQPBZSAJHBL-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CC3CC(C)C3)C2)C1 ZINC001724902399 1425296939 /nfs/dbraw/zinc/29/69/39/1425296939.db2.gz VRGCHQZQGRLQDF-GZNCHQMQSA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001724902650 1425297593 /nfs/dbraw/zinc/29/75/93/1425297593.db2.gz XRHZXFAQGQBUFC-OAQYLSRUSA-N 2 0 349.563 3.367 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC2CC(NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001725074863 1425515383 /nfs/dbraw/zinc/51/53/83/1425515383.db2.gz AIHXLCAUNUFXCL-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC=C(C)C)C1 ZINC001725145423 1425626381 /nfs/dbraw/zinc/62/63/81/1425626381.db2.gz LXFHZDYDAOCWKG-GOSISDBHSA-N 2 0 337.552 3.149 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725172342 1425683026 /nfs/dbraw/zinc/68/30/26/1425683026.db2.gz LBJNFERCKPTTNT-MSOLQXFVSA-N 2 0 345.531 3.367 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001725282234 1425918204 /nfs/dbraw/zinc/91/82/04/1425918204.db2.gz BXBIUCDMMSJQDT-IDPBEMBBSA-N 2 0 349.563 3.432 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001725290394 1425934094 /nfs/dbraw/zinc/93/40/94/1425934094.db2.gz FTGBTIQXGVKOHZ-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725300454 1425948780 /nfs/dbraw/zinc/94/87/80/1425948780.db2.gz UEBXCJZPICUIGA-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+]3CCCC3)C[C@@H]2C1 ZINC001725335342 1425980109 /nfs/dbraw/zinc/98/01/09/1425980109.db2.gz OJGWOSLGLUVYCO-VAMICUEPSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001725357416 1426008059 /nfs/dbraw/zinc/00/80/59/1426008059.db2.gz FRFGHASHCGQRKY-IYARVYRRSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001725361766 1426012427 /nfs/dbraw/zinc/01/24/27/1426012427.db2.gz XXGLBFVZIYVCBC-NCXUSEDFSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001725425220 1426084179 /nfs/dbraw/zinc/08/41/79/1426084179.db2.gz KDQATHXENRHLDH-RTBURBONSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001725444506 1426106437 /nfs/dbraw/zinc/10/64/37/1426106437.db2.gz JLKWJTLLOUUVCU-KFKAGJAMSA-N 2 0 349.494 3.101 10 0 EGAERP CCC[NH2+][C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001725444431 1426106559 /nfs/dbraw/zinc/10/65/59/1426106559.db2.gz GTTKQYWFTIORPC-RTBURBONSA-N 2 0 337.552 3.314 10 0 EGAERP CC1CCC(C[NH2+]C[C@H](C2CC2)N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001725450150 1426115814 /nfs/dbraw/zinc/11/58/14/1426115814.db2.gz AHKVHNAKPJXMHF-LBXVMSDZSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCC1)CC2 ZINC001725618153 1426281398 /nfs/dbraw/zinc/28/13/98/1426281398.db2.gz CUDDRNHDELZPCJ-PZJWPPBQSA-N 2 0 347.547 3.166 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001725618156 1426282131 /nfs/dbraw/zinc/28/21/31/1426282131.db2.gz CUDDRNHDELZPCJ-TZIWHRDSSA-N 2 0 347.547 3.166 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c1 ZINC001725623863 1426290447 /nfs/dbraw/zinc/29/04/47/1426290447.db2.gz JJMPVRWSJACMGV-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001725678889 1426365929 /nfs/dbraw/zinc/36/59/29/1426365929.db2.gz FMXIEKAVCUCDNK-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001725725159 1426384208 /nfs/dbraw/zinc/38/42/08/1426384208.db2.gz HTGYXVBIIYAZOV-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2F)C1)[NH+](CC)CC ZINC001725786696 1426472930 /nfs/dbraw/zinc/47/29/30/1426472930.db2.gz NTCIKFOQZVUWKR-TVPLGVNVSA-N 2 0 349.494 3.025 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C2(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001725797106 1426481792 /nfs/dbraw/zinc/48/17/92/1426481792.db2.gz LRCLEPPLHJHCJJ-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001725826938 1426503297 /nfs/dbraw/zinc/50/32/97/1426503297.db2.gz SEJLSWQQHJAKSU-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+](CCC)C2)c(F)c1 ZINC001725832300 1426511196 /nfs/dbraw/zinc/51/11/96/1426511196.db2.gz CDDAYJMYLXCTBW-GOSISDBHSA-N 2 0 349.494 3.064 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)CCC1CCCCCC1 ZINC001731240419 1427196554 /nfs/dbraw/zinc/19/65/54/1427196554.db2.gz KLWQRPIZYUOIMX-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001731284763 1427228230 /nfs/dbraw/zinc/22/82/30/1427228230.db2.gz NJMIPCUWSCFUHX-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001731286637 1427230210 /nfs/dbraw/zinc/23/02/10/1427230210.db2.gz NHMQONKCILFGNF-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295501 1427237759 /nfs/dbraw/zinc/23/77/59/1427237759.db2.gz DWUGIKLDOPBUQW-AEFFLSMTSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001731298781 1427241332 /nfs/dbraw/zinc/24/13/32/1427241332.db2.gz ZNPPBYFHHUBCSM-AZUAARDMSA-N 2 0 345.531 3.194 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731411008 1427377369 /nfs/dbraw/zinc/37/73/69/1427377369.db2.gz MOGPTELNODTUGQ-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001731493079 1427467406 /nfs/dbraw/zinc/46/74/06/1427467406.db2.gz MGFYZCTYAMKURO-HDICACEKSA-N 2 0 331.504 3.035 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1C[C@H]([NH2+]CC2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001731493652 1427468170 /nfs/dbraw/zinc/46/81/70/1427468170.db2.gz UZIOJKOMXYHCLV-ZCFHBRKKSA-N 2 0 349.563 3.170 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC(C)C)C1 ZINC001731507945 1427496452 /nfs/dbraw/zinc/49/64/52/1427496452.db2.gz XSOXHNNJUXVAPT-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001731546944 1427563498 /nfs/dbraw/zinc/56/34/98/1427563498.db2.gz ZHOKTSXAPCTGEH-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1 ZINC001731548861 1427566068 /nfs/dbraw/zinc/56/60/68/1427566068.db2.gz JYJZXOLXVUZMHQ-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001731549265 1427566800 /nfs/dbraw/zinc/56/68/00/1427566800.db2.gz MKCPPBXPOIGGOB-VQTJNVASSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001731561960 1427599427 /nfs/dbraw/zinc/59/94/27/1427599427.db2.gz RHBUWHJXFQZIBI-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001731571216 1427612029 /nfs/dbraw/zinc/61/20/29/1427612029.db2.gz AIVGMFNQBYYGHT-IPJUCJBFSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001731641403 1427700962 /nfs/dbraw/zinc/70/09/62/1427700962.db2.gz STSPYDYNSPORHC-YLJYHZDGSA-N 2 0 343.515 3.034 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731670095 1427720172 /nfs/dbraw/zinc/72/01/72/1427720172.db2.gz BZMMCJAORVRCLM-HPFMTEOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001731701201 1427753685 /nfs/dbraw/zinc/75/36/85/1427753685.db2.gz VCSGZCHHTOQHHB-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001731716897 1427781788 /nfs/dbraw/zinc/78/17/88/1427781788.db2.gz XGDDDEJHBRSHRD-OALUTQOASA-N 2 0 337.552 3.364 10 0 EGAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731721287 1427791792 /nfs/dbraw/zinc/79/17/92/1427791792.db2.gz XFBWONJIGHBCPH-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C/c1ccccc1 ZINC001731730020 1427805907 /nfs/dbraw/zinc/80/59/07/1427805907.db2.gz QGQANUZOKUCTGY-BYKBYQBHSA-N 2 0 343.515 3.059 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001731750344 1427845503 /nfs/dbraw/zinc/84/55/03/1427845503.db2.gz GWNLICYGORYQCV-PKOBYXMFSA-N 2 0 335.536 3.164 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001731753792 1427850882 /nfs/dbraw/zinc/85/08/82/1427850882.db2.gz SUZLLAJMBXZEMY-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001731756495 1427857506 /nfs/dbraw/zinc/85/75/06/1427857506.db2.gz APVBUAQOXKXSDL-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CC(C)(C)C1 ZINC001731864459 1428109969 /nfs/dbraw/zinc/10/99/69/1428109969.db2.gz JRZJWDKWDYUADO-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CC2=CCCCC2)C2CC2)C1 ZINC001731879768 1428149454 /nfs/dbraw/zinc/14/94/54/1428149454.db2.gz FOJBIPDTKOFYEU-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001731884651 1428158411 /nfs/dbraw/zinc/15/84/11/1428158411.db2.gz ZMQCTYVLTKQQTJ-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)CC[NH+]2CCCCC2)cc1 ZINC001731987254 1428197564 /nfs/dbraw/zinc/19/75/64/1428197564.db2.gz CNYBNWUNUUNEBZ-UHFFFAOYSA-N 2 0 345.531 3.234 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733652316 1429845340 /nfs/dbraw/zinc/84/53/40/1429845340.db2.gz KHUFJVXAZRKMQS-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733677286 1429873945 /nfs/dbraw/zinc/87/39/45/1429873945.db2.gz NBHFDXLYENQLEX-UHFFFAOYSA-N 2 0 345.531 3.409 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733690825 1429907210 /nfs/dbraw/zinc/90/72/10/1429907210.db2.gz RQOPLRSGWYJCAM-WDSOQIARSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCCCCC1)CC2 ZINC001733695449 1429912803 /nfs/dbraw/zinc/91/28/03/1429912803.db2.gz DLULCUPQRXYISS-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CCC2)CC[N@@H+]1C ZINC001733715398 1429933778 /nfs/dbraw/zinc/93/37/78/1429933778.db2.gz OOYHWASZUKVMIK-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001733761715 1429976953 /nfs/dbraw/zinc/97/69/53/1429976953.db2.gz YOGHOUMZKXHZRU-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001733766145 1429988060 /nfs/dbraw/zinc/98/80/60/1429988060.db2.gz CBZLAPAOWJZIPJ-QUCCMNQESA-N 2 0 345.531 3.367 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001733770915 1430002649 /nfs/dbraw/zinc/00/26/49/1430002649.db2.gz UYQBDKWEWVVCRZ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)CCC(C)(C)C)C1 ZINC001733776238 1430022703 /nfs/dbraw/zinc/02/27/03/1430022703.db2.gz UMMKRQQTVGKIMN-SFHVURJKSA-N 2 0 339.568 3.325 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001733780648 1430042170 /nfs/dbraw/zinc/04/21/70/1430042170.db2.gz LRSJMOMERUXIKN-IBGZPJMESA-N 2 0 345.531 3.241 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001733782531 1430049160 /nfs/dbraw/zinc/04/91/60/1430049160.db2.gz JXGWCGHSLIKNGB-PMACEKPBSA-N 2 0 349.563 3.077 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001733809374 1430084835 /nfs/dbraw/zinc/08/48/35/1430084835.db2.gz KIANZXHRQXYWQX-HDICACEKSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001733812352 1430090567 /nfs/dbraw/zinc/09/05/67/1430090567.db2.gz IJUJZNDKEKZADA-HTQXOKQJSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001733867449 1437694633 /nfs/dbraw/zinc/69/46/33/1437694633.db2.gz KTODTIFYZQTVSB-DAWZGUTISA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877436 1437704606 /nfs/dbraw/zinc/70/46/06/1437704606.db2.gz YYZAKWBGLVKVHN-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001734067136 1437862201 /nfs/dbraw/zinc/86/22/01/1437862201.db2.gz WOOBGCJBCHDCHR-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001734067137 1437862215 /nfs/dbraw/zinc/86/22/15/1437862215.db2.gz WOOBGCJBCHDCHR-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001734087037 1437872634 /nfs/dbraw/zinc/87/26/34/1437872634.db2.gz DWTZOQIDBIYQTJ-GOSISDBHSA-N 2 0 349.563 3.458 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001734103270 1437888432 /nfs/dbraw/zinc/88/84/32/1437888432.db2.gz IGNWRQFRIFLMOF-XJDXJNMNSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)cc1 ZINC001734217736 1437946657 /nfs/dbraw/zinc/94/66/57/1437946657.db2.gz NENJHTJHPNZCBN-UAPYVXQJSA-N 2 0 345.531 3.282 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232916 1437951367 /nfs/dbraw/zinc/95/13/67/1437951367.db2.gz HJXYVTPLYPVFKN-WMZOPIPTSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001734248396 1437961696 /nfs/dbraw/zinc/96/16/96/1437961696.db2.gz RSDTVZCYVUTQPG-GOSISDBHSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001734308889 1438040581 /nfs/dbraw/zinc/04/05/81/1438040581.db2.gz OQKIWGCCCOJONX-VQTJNVASSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001734341046 1438061414 /nfs/dbraw/zinc/06/14/14/1438061414.db2.gz ZDSMRHOKIVUPHC-QFBILLFUSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001734341047 1438061476 /nfs/dbraw/zinc/06/14/76/1438061476.db2.gz ZDSMRHOKIVUPHC-VQIMIIECSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001734404690 1438084101 /nfs/dbraw/zinc/08/41/01/1438084101.db2.gz SFCKQDPSEMUOHK-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001734444434 1438105824 /nfs/dbraw/zinc/10/58/24/1438105824.db2.gz NVLJPWAEGSPPMB-BRAJZSMUSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@H]1C ZINC001734455303 1438112829 /nfs/dbraw/zinc/11/28/29/1438112829.db2.gz DVGXYCSLEDITAD-PKOBYXMFSA-N 2 0 349.563 3.266 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001734477771 1438126075 /nfs/dbraw/zinc/12/60/75/1438126075.db2.gz CBEAMDIOCNURHE-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001734550554 1438147610 /nfs/dbraw/zinc/14/76/10/1438147610.db2.gz IETONHXWNFRZKG-RTBURBONSA-N 2 0 345.531 3.258 10 0 EGAERP CCCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001734566933 1438162007 /nfs/dbraw/zinc/16/20/07/1438162007.db2.gz AHAVUDKHSSLBDY-OKZBNKHCSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]Cc2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC001734571331 1438165316 /nfs/dbraw/zinc/16/53/16/1438165316.db2.gz UGBPXGODUQRBRZ-WDSOQIARSA-N 2 0 345.531 3.037 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C)c1ccccc1 ZINC001734575975 1438169056 /nfs/dbraw/zinc/16/90/56/1438169056.db2.gz XRMKKESQWHKXIU-RTBURBONSA-N 2 0 345.531 3.210 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@@H](C)c2ccccc2C)CC1 ZINC001734635113 1438195333 /nfs/dbraw/zinc/19/53/33/1438195333.db2.gz AVOSPLXLXOEPNG-SFHVURJKSA-N 2 0 343.515 3.146 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001750930669 1440112612 /nfs/dbraw/zinc/11/26/12/1440112612.db2.gz NYJVOJSPFQAPPD-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCC(C)CC2)[C@@H]1C ZINC001750931498 1440113174 /nfs/dbraw/zinc/11/31/74/1440113174.db2.gz LUJGPTADHNTJNJ-CHPDAQJUSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1noc(C2CCC([NH2+]Cc3ccc(F)c(C[NH+](C)C)c3)CC2)n1 ZINC000368356024 168345914 /nfs/dbraw/zinc/34/59/14/168345914.db2.gz UUWVKQATNIUZNV-UHFFFAOYSA-N 2 0 346.450 3.395 10 0 EGAERP CC[C@@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCC[NH+](C)C ZINC000104203094 219360542 /nfs/dbraw/zinc/36/05/42/219360542.db2.gz POLQDOSGACJBRY-BXUZGUMPSA-N 2 0 348.354 3.173 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@H](O)COC(C)(C)C)CC1 ZINC000103227998 204068139 /nfs/dbraw/zinc/06/81/39/204068139.db2.gz KWCHKDTTXUVGTM-FQEVSTJZSA-N 2 0 348.531 3.006 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[C@H](C)O1 ZINC000175982732 207179834 /nfs/dbraw/zinc/17/98/34/207179834.db2.gz YAIKAUGNFIUNRB-IRXDYDNUSA-N 2 0 342.487 3.056 10 0 EGAERP C[C@H](c1ccc(F)cc1F)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000246998226 141048336 /nfs/dbraw/zinc/04/83/36/141048336.db2.gz BHGSZMBMZPTHGS-UONOGXRCSA-N 2 0 326.431 3.050 10 0 EGAERP CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346205014 141179488 /nfs/dbraw/zinc/17/94/88/141179488.db2.gz PZBSGMOYBQWJQO-MSOLQXFVSA-N 2 0 328.460 3.211 10 0 EGAERP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346205015 141179859 /nfs/dbraw/zinc/17/98/59/141179859.db2.gz PZBSGMOYBQWJQO-QZTJIDSGSA-N 2 0 328.460 3.211 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1 ZINC000353454204 141299276 /nfs/dbraw/zinc/29/92/76/141299276.db2.gz IIUFASXIYWSGQC-NJYVYQBISA-N 3 0 329.532 3.491 10 0 EGAERP CN1CCC(CNC(=O)c2ccccc2Cl)([NH+]2CCCCC2)CC1 ZINC000172755173 144027533 /nfs/dbraw/zinc/02/75/33/144027533.db2.gz UAVLPFDZFSLQEK-UHFFFAOYSA-N 2 0 349.906 3.020 10 0 EGAERP O=C(CCN1CC[C@@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000187083753 144151765 /nfs/dbraw/zinc/15/17/65/144151765.db2.gz FDENRCAMVPPBJO-HNNXBMFYSA-N 2 0 336.426 3.345 10 0 EGAERP C[C@@H](c1c(F)cccc1F)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119627447 152217806 /nfs/dbraw/zinc/21/78/06/152217806.db2.gz OJRJYIDXKLRDBK-PMRDEQMMSA-N 2 0 349.469 3.269 10 0 EGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000305137613 154085197 /nfs/dbraw/zinc/08/51/97/154085197.db2.gz PBENTIOYUNJYRK-JRGCBEDISA-N 2 0 330.516 3.223 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C3[C@H](C)CCC[C@H]3C)cn2)CC1 ZINC000360012785 156880660 /nfs/dbraw/zinc/88/06/60/156880660.db2.gz WOKQYHJJACKUGQ-IAGOWNOFSA-N 2 0 330.520 3.138 10 0 EGAERP Cc1cc(F)ccc1N1CCC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3C)C1 ZINC000248748080 163032310 /nfs/dbraw/zinc/03/23/10/163032310.db2.gz BLDWDQUQCUWBPI-QBUWPKIASA-N 2 0 331.479 3.318 10 0 EGAERP CCCCn1cc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c(C)n1 ZINC000344326250 164156866 /nfs/dbraw/zinc/15/68/66/164156866.db2.gz IJSOJSLGAICXKY-UHFFFAOYSA-N 2 0 338.459 3.171 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)CCN(C)c1ccccc1 ZINC000346140167 164347880 /nfs/dbraw/zinc/34/78/80/164347880.db2.gz WVCIJNBQUOTRDC-UHFFFAOYSA-N 2 0 335.455 3.144 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)Cc1cccc(N(C)C)c1 ZINC000346178771 164357754 /nfs/dbraw/zinc/35/77/54/164357754.db2.gz SJZXXVANVILSBS-UHFFFAOYSA-N 2 0 335.455 3.274 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000350310985 165027724 /nfs/dbraw/zinc/02/77/24/165027724.db2.gz DEVNUVSBIYOSFA-LJQANCHMSA-N 2 0 329.488 3.485 10 0 EGAERP CN1CC[C@@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@H]1c1ccc(F)c(F)c1 ZINC000352103367 165237169 /nfs/dbraw/zinc/23/71/69/165237169.db2.gz OAABXSNXFWCSJH-ATZDWAIDSA-N 2 0 337.458 3.174 10 0 EGAERP CCOC(=O)C[C@](C)([NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)C(C)C ZINC000359379093 167141109 /nfs/dbraw/zinc/14/11/09/167141109.db2.gz NFEDSQQDHAQQMW-IBGZPJMESA-N 2 0 344.459 3.033 10 0 EGAERP CCOc1nnc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)s1 ZINC000359525911 167179586 /nfs/dbraw/zinc/17/95/86/167179586.db2.gz AJFRJQHDNCZUSY-GFCCVEGCSA-N 2 0 343.456 3.282 10 0 EGAERP COc1ccc(C(=O)CC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000367553690 168240899 /nfs/dbraw/zinc/24/08/99/168240899.db2.gz OSZBEBFHEFBTSL-UHFFFAOYSA-N 2 0 330.472 3.076 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179488805 265378892 /nfs/dbraw/zinc/37/88/92/265378892.db2.gz BDISNDZHTMGOMQ-SGSXCFNPSA-N 2 0 347.934 3.455 10 0 EGAERP CC[N@@H+]1CC[C@H](NC[C@@]2(C)CCC[NH+]2Cc2ccccc2)[C@@H](C)C1 ZINC000250077411 266261928 /nfs/dbraw/zinc/26/19/28/266261928.db2.gz ORWRBKIUAQTITA-SESVDKBCSA-N 2 0 329.532 3.361 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929498 274246364 /nfs/dbraw/zinc/24/63/64/274246364.db2.gz CUSVKPCVTSSBKV-VQIMIIECSA-N 2 0 328.456 3.376 10 0 EGAERP CCCCOC[C@H](O)C[NH+]1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1 ZINC000195184140 275231098 /nfs/dbraw/zinc/23/10/98/275231098.db2.gz BDYWUGZZJMLZQY-AZUAARDMSA-N 2 0 340.552 3.141 10 0 EGAERP Cc1ccncc1C[NH2+]Cc1ccc(C[N@@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000279803293 275360987 /nfs/dbraw/zinc/36/09/87/275360987.db2.gz FABUHIBYPAAUST-HDICACEKSA-N 2 0 339.483 3.289 10 0 EGAERP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@@H](C)C1 ZINC000248178089 276229309 /nfs/dbraw/zinc/22/93/09/276229309.db2.gz VYYRENNSYRKYHC-LSTDLKDCSA-N 2 0 335.561 3.451 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H]2CCC[C@H]21 ZINC000353498576 277170703 /nfs/dbraw/zinc/17/07/03/277170703.db2.gz RNRAIWDOHSSGJG-YQQAZPJKSA-N 2 0 333.545 3.417 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CC[C@@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000354577742 281170178 /nfs/dbraw/zinc/17/01/78/281170178.db2.gz XYYGBTBDEXLDHV-YLJYHZDGSA-N 2 0 338.499 3.005 10 0 EGAERP C[NH+]1CCC(CC[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000127316208 307583038 /nfs/dbraw/zinc/58/30/38/307583038.db2.gz YLGQULMFMUAUAV-UHFFFAOYSA-N 2 0 329.257 3.410 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)[C@@H](C)C1 ZINC000252696263 308032738 /nfs/dbraw/zinc/03/27/38/308032738.db2.gz XPYLUPPLGFCBLE-UWJYYQICSA-N 2 0 346.515 3.202 10 0 EGAERP C[C@H]1C[C@H](C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414730289 309097756 /nfs/dbraw/zinc/09/77/56/309097756.db2.gz GMCNFFVBIGPDNU-NWDGAFQWSA-N 2 0 344.286 3.252 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)cc1 ZINC000414816008 309103281 /nfs/dbraw/zinc/10/32/81/309103281.db2.gz YVEUQANGNQILCQ-OAHLLOKOSA-N 2 0 331.504 3.223 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400588642 308907687 /nfs/dbraw/zinc/90/76/87/308907687.db2.gz SWPKFSLFHALBPW-HOTGVXAUSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC(NCCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876682 309106831 /nfs/dbraw/zinc/10/68/31/309106831.db2.gz KTKWBEAQRIQVEP-WIYYLYMNSA-N 2 0 344.547 3.194 10 0 EGAERP FC1(F)CNCC[C@@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414993234 309113210 /nfs/dbraw/zinc/11/32/10/309113210.db2.gz CGZUNVYCJBILBY-CYBMUJFWSA-N 2 0 340.805 3.065 10 0 EGAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCCCOc3ccccc3)CC2)C1 ZINC000415127297 309122291 /nfs/dbraw/zinc/12/22/91/309122291.db2.gz QVYCZPCHWSZHLJ-QUCCMNQESA-N 2 0 332.488 3.064 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)NCCC2CC[NH+](CC)CC2)c1 ZINC000415907661 309147577 /nfs/dbraw/zinc/14/75/77/309147577.db2.gz NSKIMAZKIDBJET-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC[N@@H+](C2CCCC2)CC1 ZINC000415959608 309151280 /nfs/dbraw/zinc/15/12/80/309151280.db2.gz STCCZJRNBCKYOZ-UHFFFAOYSA-N 2 0 344.503 3.278 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccccc1C(=O)N(C)C ZINC000417862869 309225691 /nfs/dbraw/zinc/22/56/91/309225691.db2.gz DLEWVTPIBRERBO-QGZVFWFLSA-N 2 0 331.504 3.133 10 0 EGAERP CC(C)(CC[NH+]1CCCCCC1)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418427351 309245793 /nfs/dbraw/zinc/24/57/93/309245793.db2.gz LCIDGJSAOGDDDX-GOSISDBHSA-N 2 0 346.519 3.030 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@@H](c2ccccc2)[C@@H]2CCOC2)cc1 ZINC000420405437 309286652 /nfs/dbraw/zinc/28/66/52/309286652.db2.gz MVXFZVUSFSFVHP-SBHAEUEKSA-N 2 0 340.467 3.105 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000420405801 309286711 /nfs/dbraw/zinc/28/67/11/309286711.db2.gz UBPGXKBNFGLPHQ-DOTOQJQBSA-N 2 0 347.528 3.201 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000422835679 309371051 /nfs/dbraw/zinc/37/10/51/309371051.db2.gz PYTIKSRGBVNNCB-WMZOPIPTSA-N 2 0 326.488 3.098 10 0 EGAERP Fc1cc(F)cc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839657 309371410 /nfs/dbraw/zinc/37/14/10/309371410.db2.gz ABIVLOGECFKAFM-UYAOXDASSA-N 2 0 344.405 3.353 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC1(c2ccccc2)CCOCC1 ZINC000422843018 309371526 /nfs/dbraw/zinc/37/15/26/309371526.db2.gz GSCYNTDSHRAILO-INIZCTEOSA-N 2 0 339.483 3.248 10 0 EGAERP COc1ccc(C[NH2+]C2CCC(C[NH3+])CC2)cc1Br ZINC000422874773 309373174 /nfs/dbraw/zinc/37/31/74/309373174.db2.gz BBWSXLMZOJQYTG-UHFFFAOYSA-N 2 0 327.266 3.065 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422882078 309373914 /nfs/dbraw/zinc/37/39/14/309373914.db2.gz ACSYTBGKRAEAFS-ZDWTUXFCSA-N 2 0 343.515 3.095 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1CN[C@@H](C)c1c[nH+]ccc1N ZINC000422889102 309374520 /nfs/dbraw/zinc/37/45/20/309374520.db2.gz FDILPIPIUAQTLF-INIZCTEOSA-N 2 0 342.487 3.066 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(C(F)(F)F)c1 ZINC000422911861 309375911 /nfs/dbraw/zinc/37/59/11/309375911.db2.gz UPBJYQYGDAOBNC-HNNXBMFYSA-N 2 0 332.410 3.327 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069312 309384256 /nfs/dbraw/zinc/38/42/56/309384256.db2.gz DQQULAQYQQQHRU-OIISXLGYSA-N 2 0 340.458 3.016 10 0 EGAERP COc1ccc([C@H](NC[C@H]2CCCC[N@@H+]2C2CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423077109 309384723 /nfs/dbraw/zinc/38/47/23/309384723.db2.gz SMPFLBXBRYKTIT-GIVPXCGWSA-N 2 0 343.515 3.095 10 0 EGAERP CC(C)(C)CC[C@H](CO)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093139 309385522 /nfs/dbraw/zinc/38/55/22/309385522.db2.gz FZDFGGNYJGVKLJ-SYNHAJSKSA-N 2 0 332.488 3.019 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423102086 309385856 /nfs/dbraw/zinc/38/58/56/309385856.db2.gz JPXHFZGDJCNTOH-CQSZACIVSA-N 2 0 339.892 3.307 10 0 EGAERP C[C@@H](C[C@@H]1COCCN1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423125895 309387237 /nfs/dbraw/zinc/38/72/37/309387237.db2.gz IIIWNMCXWNKWJE-HNAYVOBHSA-N 2 0 328.431 3.349 10 0 EGAERP C[C@H](C[C@H]1COCCN1)[NH2+]Cc1ccc(-c2ccccc2)cc1F ZINC000423125893 309387289 /nfs/dbraw/zinc/38/72/89/309387289.db2.gz IIIWNMCXWNKWJE-BEFAXECRSA-N 2 0 328.431 3.349 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCC1CCOCC1 ZINC000423143865 309388093 /nfs/dbraw/zinc/38/80/93/309388093.db2.gz FFORFSLVBQIJJD-AZUAARDMSA-N 2 0 330.472 3.039 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCCC1CCOCC1 ZINC000423143866 309388136 /nfs/dbraw/zinc/38/81/36/309388136.db2.gz FFORFSLVBQIJJD-ICSRJNTNSA-N 2 0 330.472 3.039 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000423214554 309390819 /nfs/dbraw/zinc/39/08/19/309390819.db2.gz PCLDOKJXZZFPII-YGRLFVJLSA-N 2 0 327.241 3.165 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423221076 309390992 /nfs/dbraw/zinc/39/09/92/309390992.db2.gz ZENPJHKAYOTXEI-WFASDCNBSA-N 2 0 339.277 3.252 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)[C@@H]1CCC[NH2+]C1 ZINC000423221862 309391222 /nfs/dbraw/zinc/39/12/22/309391222.db2.gz YMQJODIZOMOQQT-HWWQOWPSSA-N 2 0 327.394 3.456 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@H]32)cc1 ZINC000423239631 309391955 /nfs/dbraw/zinc/39/19/55/309391955.db2.gz BMUYCYVVFFSUCF-ZIBCJSCZSA-N 3 0 327.516 3.019 10 0 EGAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000423418151 309399484 /nfs/dbraw/zinc/39/94/84/309399484.db2.gz GVDHWXYNUIVGRR-SPYBWZPUSA-N 2 0 328.435 3.060 10 0 EGAERP CC(C)n1cncc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000424186824 309432265 /nfs/dbraw/zinc/43/22/65/309432265.db2.gz HWZNCEKUSGJENW-UHFFFAOYSA-N 2 0 342.487 3.227 10 0 EGAERP c1nc(-c2ccncc2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446887174 309970299 /nfs/dbraw/zinc/97/02/99/309970299.db2.gz OYPAZVMEVWUGGO-UHFFFAOYSA-N 2 0 328.485 3.169 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)Nc2cccc3c2OCC[C@H]3[NH+](C)C)CC1 ZINC000447724359 309986979 /nfs/dbraw/zinc/98/69/79/309986979.db2.gz VNEYPQCPJBQAEZ-GOSISDBHSA-N 2 0 345.487 3.131 10 0 EGAERP C[C@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000449086588 310035939 /nfs/dbraw/zinc/03/59/39/310035939.db2.gz CTENPTOORDHJMR-UXHICEINSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000449086158 310036027 /nfs/dbraw/zinc/03/60/27/310036027.db2.gz BAOHKEHNLCOMJX-STZQEDGTSA-N 2 0 341.543 3.298 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H]2CCO)CC1 ZINC000449261754 310048200 /nfs/dbraw/zinc/04/82/00/310048200.db2.gz FEFTVDVXZJCTOK-SLYNCCJLSA-N 2 0 330.516 3.223 10 0 EGAERP COC[C@@H]1CCC[NH+](C/C=C/C[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452104514 310212146 /nfs/dbraw/zinc/21/21/46/310212146.db2.gz NNRFLJBCCBIWDX-FMEUAVTJSA-N 2 0 338.536 3.040 10 0 EGAERP COC[C@@H]1CCC[NH+](CC(C)C[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452107915 310212553 /nfs/dbraw/zinc/21/25/53/310212553.db2.gz TWFDRLROTULFBX-WOJBJXKFSA-N 2 0 340.552 3.120 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)cc1 ZINC000462793066 310605866 /nfs/dbraw/zinc/60/58/66/310605866.db2.gz PUNXVCGYQWBSQT-XUVXKRRUSA-N 2 0 346.515 3.312 10 0 EGAERP CCc1cccc(F)c1C[NH+]1CCC(N2CC[NH+](C(C)C)CC2)CC1 ZINC000474280554 310789562 /nfs/dbraw/zinc/78/95/62/310789562.db2.gz XATPZRPEQCNCQP-UHFFFAOYSA-N 2 0 347.522 3.379 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2occc2C)CC1 ZINC000491413105 311177973 /nfs/dbraw/zinc/17/79/73/311177973.db2.gz LITWZBYYKKKXEJ-UHFFFAOYSA-N 2 0 327.472 3.410 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2conc2Cc2ccccc2)[C@H](C)C1 ZINC000508727631 312101329 /nfs/dbraw/zinc/10/13/29/312101329.db2.gz SXTZXEDMJZUYLQ-OXQOHEQNSA-N 2 0 327.472 3.428 10 0 EGAERP C[C@H]([NH2+][C@H](CO)CC1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000510934496 312150930 /nfs/dbraw/zinc/15/09/30/312150930.db2.gz QVAASKIWNJOUSN-LPHOPBHVSA-N 2 0 334.504 3.219 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000517731006 312390668 /nfs/dbraw/zinc/39/06/68/312390668.db2.gz ZULLRXPDXWMCEC-LLVKDONJSA-N 2 0 329.257 3.108 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015421 313000172 /nfs/dbraw/zinc/00/01/72/313000172.db2.gz XJTVQKDNTVCXPM-YLJYHZDGSA-N 3 0 345.531 3.295 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538098608 314227011 /nfs/dbraw/zinc/22/70/11/314227011.db2.gz JGTMCISRWIMJPY-IIBYNOLFSA-N 2 0 347.522 3.448 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@@H]2CCOc3c(Br)cccc32)C1 ZINC000568248487 316749129 /nfs/dbraw/zinc/74/91/29/316749129.db2.gz SJJJSBBKWOXBRO-UHIISALHSA-N 2 0 325.250 3.132 10 0 EGAERP COC[C@@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000570134530 317011593 /nfs/dbraw/zinc/01/15/93/317011593.db2.gz FXGDZWRTFXXUED-BGYRXZFFSA-N 2 0 340.552 3.264 10 0 EGAERP C[C@H](N[C@@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000570792643 317108556 /nfs/dbraw/zinc/10/85/56/317108556.db2.gz ZHJIKDGKUKXGNZ-DFQSSKMNSA-N 2 0 329.532 3.265 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180018681 323419534 /nfs/dbraw/zinc/41/95/34/323419534.db2.gz SOYFKALOGVOHGL-DNVCBOLYSA-N 2 0 335.923 3.407 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@@H]2CCC[C@H]21 ZINC000580956737 325314248 /nfs/dbraw/zinc/31/42/48/325314248.db2.gz CCYPOBQPRXKGDN-KCITZHQASA-N 2 0 331.479 3.257 10 0 EGAERP C[C@H](Cc1ccsc1)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000581871898 325394743 /nfs/dbraw/zinc/39/47/43/325394743.db2.gz XDDOSBPLYNJOKO-QGZVFWFLSA-N 2 0 344.524 3.296 10 0 EGAERP C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000183271443 455266019 /nfs/dbraw/zinc/26/60/19/455266019.db2.gz IAWPLQWMYRNBJH-RXVVDRJESA-N 2 0 347.522 3.249 10 0 EGAERP CCCCN(CCCC)C(=O)C[N@@H+]1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000245575223 455334334 /nfs/dbraw/zinc/33/43/34/455334334.db2.gz HOVWNMZFYVOKJM-MSOLQXFVSA-N 2 0 334.508 3.195 10 0 EGAERP CSc1ccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623534566 460600067 /nfs/dbraw/zinc/60/00/67/460600067.db2.gz UOIVRILXCZVGAL-WMZOPIPTSA-N 2 0 335.561 3.474 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2cccc(Br)c2)CC1(C)C ZINC000623546523 460605022 /nfs/dbraw/zinc/60/50/22/460605022.db2.gz FGOITBIQCSJQQC-OAHLLOKOSA-N 2 0 325.294 3.454 10 0 EGAERP C[NH+](C)Cc1cccc(NC(=O)N[C@H](C[NH+](C)C)c2ccccc2)c1 ZINC000044277399 454094353 /nfs/dbraw/zinc/09/43/53/454094353.db2.gz WIRFVFHIKPYEEK-LJQANCHMSA-N 2 0 340.471 3.173 10 0 EGAERP CC(C)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000181937531 455401855 /nfs/dbraw/zinc/40/18/55/455401855.db2.gz NWHRVKPBPNEOTE-LJQANCHMSA-N 2 0 339.474 3.278 10 0 EGAERP C[N@@H+](Cc1ccc(C(=O)OC(C)(C)C)cc1)CC1CC[NH+](C)CC1 ZINC000120265669 454279175 /nfs/dbraw/zinc/27/91/75/454279175.db2.gz MGBSKMLMCGYYGO-UHFFFAOYSA-N 2 0 332.488 3.416 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccn2)C[C@H]1C ZINC000090773289 454339456 /nfs/dbraw/zinc/33/94/56/454339456.db2.gz NLLVVLQIZOEYSY-NRSPTQNISA-N 2 0 344.547 3.002 10 0 EGAERP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)c1cccnc1 ZINC000091399217 454432577 /nfs/dbraw/zinc/43/25/77/454432577.db2.gz KALPVBRJDPQIMD-AABGKKOBSA-N 2 0 331.504 3.136 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000080717370 454624798 /nfs/dbraw/zinc/62/47/98/454624798.db2.gz KTFNLBDYDISANT-RAFMOHDBSA-N 2 0 343.515 3.201 10 0 EGAERP CCOC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)o1 ZINC000092813383 454639782 /nfs/dbraw/zinc/63/97/82/454639782.db2.gz KSTXFEYQHFEHNX-OAHLLOKOSA-N 2 0 343.427 3.094 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081095172 454684926 /nfs/dbraw/zinc/68/49/26/454684926.db2.gz OSCZJEJDNYFADX-AEFFLSMTSA-N 2 0 342.487 3.331 10 0 EGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635005961 460649569 /nfs/dbraw/zinc/64/95/69/460649569.db2.gz KKMDLXMWRARNSH-AQKFKSFVSA-N 2 0 349.478 3.431 10 0 EGAERP C[C@@H](CCNC(=O)c1cccc(C[NH+]2CCCC2)c1)[NH+]1CCCCC1 ZINC000182253800 455473033 /nfs/dbraw/zinc/47/30/33/455473033.db2.gz FLOPTJSRROEPMZ-SFHVURJKSA-N 2 0 343.515 3.277 10 0 EGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)CCCO2 ZINC000154391147 454891354 /nfs/dbraw/zinc/89/13/54/454891354.db2.gz BVPDKNRRPNQRAR-FQEVSTJZSA-N 2 0 345.531 3.134 10 0 EGAERP O[C@H](CN[C@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287788 454963637 /nfs/dbraw/zinc/96/36/37/454963637.db2.gz WQYKNPMNJPQUNI-ZBFHGGJFSA-N 2 0 340.920 3.313 10 0 EGAERP Clc1ccc2nc(C[N@@H+]3CC[C@@H](CNc4ccccn4)C3)cn2c1 ZINC000170872099 454991307 /nfs/dbraw/zinc/99/13/07/454991307.db2.gz HPORQFAQRHSDLR-AWEZNQCLSA-N 2 0 341.846 3.317 10 0 EGAERP Cc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCCC[NH+]1CCOCC1)CC3 ZINC000180136249 455137564 /nfs/dbraw/zinc/13/75/64/455137564.db2.gz DDZNCOHIMLDXOP-KRWDZBQOSA-N 2 0 341.499 3.036 10 0 EGAERP CCCN(CCC)C(=O)C[NH2+][C@@H](C)c1cccc(-n2ccnc2)c1 ZINC000180651210 455218290 /nfs/dbraw/zinc/21/82/90/455218290.db2.gz SRDHLXYFGGFJPQ-INIZCTEOSA-N 2 0 328.460 3.172 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442835 455301928 /nfs/dbraw/zinc/30/19/28/455301928.db2.gz WQOOBZASDMYVRL-YOEHRIQHSA-N 2 0 337.895 3.249 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC[C@@H]3CCCO3)cc2)[C@@H](C)C1 ZINC000245512914 455318352 /nfs/dbraw/zinc/31/83/52/455318352.db2.gz BHFUDHLMSOUFGO-YYWHXJBOSA-N 2 0 346.515 3.407 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](Cc3ccc(Oc4cnccn4)cc3)CC[C@H]21 ZINC000245750710 455372972 /nfs/dbraw/zinc/37/29/72/455372972.db2.gz HBRKIHWMMSKADB-PKOBYXMFSA-N 2 0 338.455 3.185 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1F ZINC000174252577 455373875 /nfs/dbraw/zinc/37/38/75/455373875.db2.gz DTDIRUHHWLTXOU-QGZVFWFLSA-N 2 0 333.495 3.427 10 0 EGAERP CN(C[C@@H](O)c1ccccc1F)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000247572526 455627012 /nfs/dbraw/zinc/62/70/12/455627012.db2.gz RXORDKFMAWEQNX-WIYYLYMNSA-N 2 0 342.458 3.313 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000284415314 455683144 /nfs/dbraw/zinc/68/31/44/455683144.db2.gz QKRVGRJYQXIBQF-XRULBBBTSA-N 2 0 346.515 3.014 10 0 EGAERP CCN(CC)C(=O)CCC[NH2+][C@@H]1CCN(Cc2ccccc2)C[C@H]1C ZINC000268784192 455714554 /nfs/dbraw/zinc/71/45/54/455714554.db2.gz ANSYYNUZJNESOB-UYAOXDASSA-N 2 0 345.531 3.135 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186249215 455725187 /nfs/dbraw/zinc/72/51/87/455725187.db2.gz ZRPIOKKTOQMMLN-MOPGFXCFSA-N 2 0 338.536 3.062 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@H]1CCC=CO1 ZINC000248878569 455736449 /nfs/dbraw/zinc/73/64/49/455736449.db2.gz KDFQHRKCGUBECY-RTWAWAEBSA-N 2 0 344.499 3.057 10 0 EGAERP CN(C[C@H]1CCC[NH2+]C1)[C@H]1CCOc2ccc(Br)cc21 ZINC000261694484 455930383 /nfs/dbraw/zinc/93/03/83/455930383.db2.gz HZSNQIWZWBQLCW-WFASDCNBSA-N 2 0 339.277 3.204 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH+]4CCCC[C@H]24)C3)cc1 ZINC000272414977 455942709 /nfs/dbraw/zinc/94/27/09/455942709.db2.gz MCABBBMJZDQMHT-PVIWCNJMSA-N 2 0 339.527 3.398 10 0 EGAERP CCN(CC(=O)Nc1c(Cl)cccc1Cl)C[C@@]1(C)CC[NH2+]C1 ZINC000261885278 455965051 /nfs/dbraw/zinc/96/50/51/455965051.db2.gz RVZNGOOYOWWULT-INIZCTEOSA-N 2 0 344.286 3.253 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)c3c(F)cccc3F)C2)[nH+]1 ZINC000195516310 455976217 /nfs/dbraw/zinc/97/62/17/455976217.db2.gz REVROGNZVIKDAJ-YOEHRIQHSA-N 2 0 347.409 3.136 10 0 EGAERP COc1ccc(CC[N@H+](CC(C)C)C[C@@]2(C)CC[NH2+]C2)cc1OC ZINC000262042058 455989269 /nfs/dbraw/zinc/98/92/69/455989269.db2.gz PFNZOVUEBJRIDS-FQEVSTJZSA-N 2 0 334.504 3.204 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)C1 ZINC000263293718 456120335 /nfs/dbraw/zinc/12/03/35/456120335.db2.gz XFQGHHPBVRKAOE-RMMWZPCPSA-N 2 0 347.547 3.020 10 0 EGAERP COc1cnccc1[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188769788 456132608 /nfs/dbraw/zinc/13/26/08/456132608.db2.gz VTVMUZIBWMNDKK-CVEARBPZSA-N 2 0 343.471 3.442 10 0 EGAERP OC[C@@H](CC1CCC1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000281175995 456155262 /nfs/dbraw/zinc/15/52/62/456155262.db2.gz QHICJMDTZYIVAE-MXEMCNAFSA-N 2 0 328.500 3.323 10 0 EGAERP CCCc1cc(N2CC[NH+](C[C@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000301769063 456209938 /nfs/dbraw/zinc/20/99/38/456209938.db2.gz CQSNWMMWXDLXDM-QGZVFWFLSA-N 2 0 327.472 3.080 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2cccc(C(=O)NCC[NH+](C)C)c2)C1 ZINC000352836771 456350878 /nfs/dbraw/zinc/35/08/78/456350878.db2.gz XNOJMAFLQGFCCQ-APWZRJJASA-N 2 0 343.515 3.060 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]CC1(C[NH+](C)C)CCCC1 ZINC000352905432 456404134 /nfs/dbraw/zinc/40/41/34/456404134.db2.gz XWQFITVWDBWTQK-UHFFFAOYSA-N 2 0 326.488 3.299 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340377044 456422676 /nfs/dbraw/zinc/42/26/76/456422676.db2.gz JSZPIFHXAKWIOA-FPOVZHCZSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@H]([NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450143 456469518 /nfs/dbraw/zinc/46/95/18/456469518.db2.gz GSKPAFLOBGTTKL-BXWFABGCSA-N 2 0 325.456 3.348 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)c1cc[nH]c(=O)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000340450146 456469952 /nfs/dbraw/zinc/46/99/52/456469952.db2.gz GSKPAFLOBGTTKL-FRQCXROJSA-N 2 0 325.456 3.348 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000338002727 456649959 /nfs/dbraw/zinc/64/99/59/456649959.db2.gz ZDHOQTRJOFDBNC-RTWAWAEBSA-N 2 0 328.500 3.312 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@H]2CCC[C@H]21 ZINC000353406447 456679985 /nfs/dbraw/zinc/67/99/85/456679985.db2.gz UJNPJNVHHUYSMW-CEXWTWQISA-N 2 0 339.483 3.466 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283382826 456769914 /nfs/dbraw/zinc/76/99/14/456769914.db2.gz OWUFAKMKMUVGOC-GIVPXCGWSA-N 2 0 329.532 3.186 10 0 EGAERP CC[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000341272761 456828499 /nfs/dbraw/zinc/82/84/99/456828499.db2.gz PRLUGKGEOSBSHZ-RBUKOAKNSA-N 2 0 346.515 3.454 10 0 EGAERP CC[C@H]1C[C@H](C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000341272758 456828863 /nfs/dbraw/zinc/82/88/63/456828863.db2.gz PRLUGKGEOSBSHZ-MOPGFXCFSA-N 2 0 346.515 3.454 10 0 EGAERP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292042302 456837775 /nfs/dbraw/zinc/83/77/75/456837775.db2.gz APCNKSYOPDIVFP-HRAATJIYSA-N 2 0 337.467 3.194 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)c1 ZINC000339067413 456924351 /nfs/dbraw/zinc/92/43/51/456924351.db2.gz HQNAYYHVWXCSLF-SFTDATJTSA-N 2 0 327.516 3.389 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@H]21 ZINC000346169691 457021032 /nfs/dbraw/zinc/02/10/32/457021032.db2.gz MOLKUWNSUBDKJI-QZTJIDSGSA-N 2 0 328.485 3.436 10 0 EGAERP CS[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000425363756 457520069 /nfs/dbraw/zinc/52/00/69/457520069.db2.gz YAVOLEBIGIDKBX-UXHICEINSA-N 2 0 347.572 3.068 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517679 457647361 /nfs/dbraw/zinc/64/73/61/457647361.db2.gz DFESLMWSHSBTOJ-RBUKOAKNSA-N 2 0 339.543 3.445 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[N@H+]1CC[C@H](C[NH+](C)C)C1 ZINC000361295364 457682805 /nfs/dbraw/zinc/68/28/05/457682805.db2.gz JOLHYMSSSDNINA-GOSISDBHSA-N 2 0 328.504 3.399 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[N@@H+]1CCSC[C@H]1CCO ZINC000361319710 457691579 /nfs/dbraw/zinc/69/15/79/457691579.db2.gz WKZSUVYQEFFJRO-QGZVFWFLSA-N 2 0 347.528 3.315 10 0 EGAERP COC(=O)c1ccccc1CC1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000361407109 457720263 /nfs/dbraw/zinc/72/02/63/457720263.db2.gz CJQXJIIQFBZBDS-IBGZPJMESA-N 2 0 344.499 3.212 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)C[C@H](C)O1 ZINC000361889982 457934059 /nfs/dbraw/zinc/93/40/59/457934059.db2.gz RZQAUBPIBRHZND-LJDSDSDDSA-N 2 0 338.536 3.061 10 0 EGAERP C[C@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000358386853 457969041 /nfs/dbraw/zinc/96/90/41/457969041.db2.gz TZITVOLKMYOYJR-HMQMGEFJSA-N 2 0 342.405 3.085 10 0 EGAERP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396696 457976992 /nfs/dbraw/zinc/97/69/92/457976992.db2.gz JAZFIOFHONWRCZ-YJBOKZPZSA-N 2 0 348.512 3.381 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)[S@](C)=O ZINC000358566108 458080840 /nfs/dbraw/zinc/08/08/40/458080840.db2.gz IFWANRRZSDSPMY-KXJGTOPRSA-N 2 0 348.556 3.034 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428337086 458122746 /nfs/dbraw/zinc/12/27/46/458122746.db2.gz GOWGJZXNTLHRIF-DYESRHJHSA-N 2 0 345.531 3.324 10 0 EGAERP Clc1ccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c(-n2cncn2)c1 ZINC000376567462 458340019 /nfs/dbraw/zinc/34/00/19/458340019.db2.gz WJBQCXBDDDXKLF-UHFFFAOYSA-N 2 0 342.834 3.023 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000459406194 458361117 /nfs/dbraw/zinc/36/11/17/458361117.db2.gz LFXHQUIKKGNFCK-GOSISDBHSA-N 2 0 345.531 3.123 10 0 EGAERP Cc1ccn(-c2ccccc2C[NH2+]C2CCN(c3cc[nH+]cc3)CC2)n1 ZINC000459434083 458370183 /nfs/dbraw/zinc/37/01/83/458370183.db2.gz CLTXZROHSWXPCI-UHFFFAOYSA-N 2 0 347.466 3.334 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC(N[C@H]2C[NH2+]CCC2(F)F)CC1 ZINC000423480199 458439216 /nfs/dbraw/zinc/43/92/16/458439216.db2.gz NEOPHJHKNULJDB-ABHNRTSZSA-N 2 0 337.458 3.016 10 0 EGAERP CC1(C)C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000423500356 458444398 /nfs/dbraw/zinc/44/43/98/458444398.db2.gz BRTTUIIMALFFEG-UHYCVJNDSA-N 2 0 327.516 3.215 10 0 EGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1csc(Cl)c1 ZINC000423505397 458446470 /nfs/dbraw/zinc/44/64/70/458446470.db2.gz HPQKCKBALUUDGR-GRTSSRMGSA-N 2 0 327.925 3.269 10 0 EGAERP CC(C)(C)[C@@H]1CC[C@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423521193 458450188 /nfs/dbraw/zinc/45/01/88/458450188.db2.gz FZOPHZQTXWEQAR-RTBURBONSA-N 2 0 329.532 3.394 10 0 EGAERP CSc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423525932 458451695 /nfs/dbraw/zinc/45/16/95/458451695.db2.gz YWCWHDZRINNTEI-FAEJEUNOSA-N 2 0 333.545 3.276 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@H]2[C@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531368 458452106 /nfs/dbraw/zinc/45/21/06/458452106.db2.gz SPJACLNYBXWUMO-YOYNGHDBSA-N 2 0 332.532 3.325 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H]1CC[C@@H](c2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000437788502 458493694 /nfs/dbraw/zinc/49/36/94/458493694.db2.gz UAMHRBCHNDJSAA-AABGKKOBSA-N 2 0 345.531 3.005 10 0 EGAERP Cc1ccc([C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[NH+](C)C)cc1 ZINC000460199715 458505538 /nfs/dbraw/zinc/50/55/38/458505538.db2.gz DVSHWVOVLZLHSL-LJQANCHMSA-N 2 0 345.531 3.226 10 0 EGAERP FC(F)(F)C1CC[NH+](C2CC(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)C2)CC1 ZINC000373486108 458505841 /nfs/dbraw/zinc/50/58/41/458505841.db2.gz QNORORVPMJTYNX-KZYLPZIUSA-N 2 0 345.453 3.008 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431562325 458589218 /nfs/dbraw/zinc/58/92/18/458589218.db2.gz BVEPJWDBZIRATI-WOJBJXKFSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431749545 458617021 /nfs/dbraw/zinc/61/70/21/458617021.db2.gz LDGJAFHFFLSFKV-KSZLIROESA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431754569 458617951 /nfs/dbraw/zinc/61/79/51/458617951.db2.gz NMGHFDXNFHAKTE-QRVBRYPASA-N 2 0 337.552 3.125 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC[N@H+](C)C(C)C)CC3 ZINC000546604058 458642609 /nfs/dbraw/zinc/64/26/09/458642609.db2.gz GPQDBVRJCQMYSW-HNNXBMFYSA-N 2 0 329.488 3.354 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[NH2+]C24CCC4)C3)cc1 ZINC000530217674 458719056 /nfs/dbraw/zinc/71/90/56/458719056.db2.gz VHAYYADRWGIPGM-YSTOQKLRSA-N 2 0 325.500 3.056 10 0 EGAERP CCCOc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530248725 458730121 /nfs/dbraw/zinc/73/01/21/458730121.db2.gz OOBLYSPJRJDGRS-HXUWFJFHSA-N 2 0 332.488 3.066 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(Cl)c(F)c1 ZINC000547431852 458739111 /nfs/dbraw/zinc/73/91/11/458739111.db2.gz APSJZMVASQUYJA-KBPBESRZSA-N 2 0 327.875 3.156 10 0 EGAERP C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000547504389 458751889 /nfs/dbraw/zinc/75/18/89/458751889.db2.gz FGJVAAAWEDTFIU-IRFCIJBXSA-N 2 0 329.532 3.361 10 0 EGAERP CCc1cccc(F)c1C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000474265131 458872291 /nfs/dbraw/zinc/87/22/91/458872291.db2.gz JMZINXDTYNSHFA-UHFFFAOYSA-N 2 0 334.479 3.322 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000474479280 458888384 /nfs/dbraw/zinc/88/83/84/458888384.db2.gz NSZXOIHZTZGOHI-FQEVSTJZSA-N 2 0 331.548 3.432 10 0 EGAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000475146832 458924042 /nfs/dbraw/zinc/92/40/42/458924042.db2.gz ZEYAYXWNMMXKKR-UFYCRDLUSA-N 2 0 345.531 3.210 10 0 EGAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C[N@H+]2C[C@H](C)C[C@H](C)C2)cc1 ZINC000531683421 458961030 /nfs/dbraw/zinc/96/10/30/458961030.db2.gz JSTGRJGEFHGDBB-TWFHAPMSSA-N 2 0 329.532 3.204 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C(C)=CCC[C@@H]3C)cn2)CC1 ZINC000479571330 459149596 /nfs/dbraw/zinc/14/95/96/459149596.db2.gz YUIHZTSRQKLJQV-AZUAARDMSA-N 2 0 342.531 3.306 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000558652246 459188793 /nfs/dbraw/zinc/18/87/93/459188793.db2.gz HZVKPPRNWQEADA-QZTJIDSGSA-N 2 0 343.515 3.019 10 0 EGAERP C[NH+]1CCN(C[C@H]([NH2+][C@@H]2CC[C@H]2C2CCC2)c2ccccc2)CC1 ZINC000558696287 459199345 /nfs/dbraw/zinc/19/93/45/459199345.db2.gz DFUDFBNCYQAMEN-HBMCJLEFSA-N 2 0 327.516 3.143 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625483 459232516 /nfs/dbraw/zinc/23/25/16/459232516.db2.gz ZIALZMRKCWNGKB-HUUCEWRRSA-N 2 0 343.393 3.400 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@H]32)C1 ZINC000560531374 459368276 /nfs/dbraw/zinc/36/82/76/459368276.db2.gz XRWYPMRYKCWAFS-RQSWOZRGSA-N 2 0 327.516 3.284 10 0 EGAERP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000560539360 459369744 /nfs/dbraw/zinc/36/97/44/459369744.db2.gz IKTRBRWSPJODBJ-AQNXPRMDSA-N 2 0 346.515 3.373 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)CC2)CC1 ZINC000560546339 459371344 /nfs/dbraw/zinc/37/13/44/459371344.db2.gz ZOCHGHOYTWTOLQ-BFGFKNPTSA-N 2 0 333.564 3.492 10 0 EGAERP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)cn(C)c2c1 ZINC000569132002 459403050 /nfs/dbraw/zinc/40/30/50/459403050.db2.gz NGOMCLPUOHOLOW-XUVXKRRUSA-N 2 0 325.500 3.492 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCO[C@H](C(C)C)C1 ZINC000583184601 459495994 /nfs/dbraw/zinc/49/59/94/459495994.db2.gz MQWRJJKUQUYGGC-APWZRJJASA-N 2 0 328.460 3.117 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)Cc1ccc(O)cc1 ZINC000542466769 459559804 /nfs/dbraw/zinc/55/98/04/459559804.db2.gz IUODJISESBDINL-OAHLLOKOSA-N 2 0 336.439 3.344 10 0 EGAERP C[N@H+](Cc1ccccc1C[NH2+]C[C@H](O)C(F)(F)F)C1CCCCC1 ZINC000583626311 459571049 /nfs/dbraw/zinc/57/10/49/459571049.db2.gz LXNJIMXLMJXIKG-KRWDZBQOSA-N 2 0 344.421 3.464 10 0 EGAERP C[NH+]1CCC(C[NH2+]C2CCC3(CCCO3)CC2)(N2CCCCC2)CC1 ZINC000573177991 459637216 /nfs/dbraw/zinc/63/72/16/459637216.db2.gz MQFKMSROCOSXLB-UHFFFAOYSA-N 2 0 349.563 3.018 10 0 EGAERP Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C[C@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995868 459689596 /nfs/dbraw/zinc/68/95/96/459689596.db2.gz GWLIHAFOVKRNLY-CVEARBPZSA-N 2 0 341.377 3.144 10 0 EGAERP Cc1cc2ncc([C@@H](C)[NH2+]C[C@H]3CCN3C3CCCC3)c(C)n2n1 ZINC000528007780 459794606 /nfs/dbraw/zinc/79/46/06/459794606.db2.gz CHXHJCLYSDXXDY-RHSMWYFYSA-N 2 0 327.476 3.014 10 0 EGAERP Cc1cc2ncc([C@H](C)[NH2+]C[C@@H]3CCN3C3CCCC3)c(C)n2n1 ZINC000528007788 459795142 /nfs/dbraw/zinc/79/51/42/459795142.db2.gz CHXHJCLYSDXXDY-YOEHRIQHSA-N 2 0 327.476 3.014 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014592 459796655 /nfs/dbraw/zinc/79/66/55/459796655.db2.gz QIEVRUZKJJRTOU-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597061434 459828699 /nfs/dbraw/zinc/82/86/99/459828699.db2.gz ODOXBKVEIKFZRJ-UHFFFAOYSA-N 2 0 338.879 3.338 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000576682396 460191789 /nfs/dbraw/zinc/19/17/89/460191789.db2.gz LOHQRQLOIKHSSJ-UYAOXDASSA-N 3 0 326.488 3.164 10 0 EGAERP Cc1nccn1CC[NH2+][C@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982850 460325909 /nfs/dbraw/zinc/32/59/09/460325909.db2.gz UTUHUQPVRFDSKP-MRXNPFEDSA-N 2 0 341.286 3.391 10 0 EGAERP CCOc1cc2c(cc1CN[C@H]1CC[N@H+](C)C(C)(C)C1)O[C@H](C)C2 ZINC000623342476 460498894 /nfs/dbraw/zinc/49/88/94/460498894.db2.gz BPFWKMMZCZFMSJ-PBHICJAKSA-N 2 0 332.488 3.371 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+][C@@H]2[C@H]3Cc4cc(Br)ccc4[C@@H]23)[C@H](C)C1 ZINC000631698881 460520910 /nfs/dbraw/zinc/52/09/10/460520910.db2.gz DYPAKVFXIWDGBX-JDHAIZTISA-N 2 0 349.316 3.407 10 0 EGAERP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCn1ccnc1 ZINC000623851979 460743600 /nfs/dbraw/zinc/74/36/00/460743600.db2.gz MMSBFDXGYSICJJ-SNVBAGLBSA-N 2 0 332.757 3.171 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000629528212 460795617 /nfs/dbraw/zinc/79/56/17/460795617.db2.gz SQTRTGLYWHXIME-XNTOXWQXSA-N 2 0 327.516 3.160 10 0 EGAERP Fc1ccccc1-c1nc(C[NH+]2CCC([C@H]3CC[NH2+]C3)CC2)co1 ZINC000629532366 460797106 /nfs/dbraw/zinc/79/71/06/460797106.db2.gz WXRUZPRMJUPERC-HNNXBMFYSA-N 2 0 329.419 3.302 10 0 EGAERP Brc1cnccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]C2)C1 ZINC000629532073 460797654 /nfs/dbraw/zinc/79/76/54/460797654.db2.gz KMVLPZMHUXIGNF-UONOGXRCSA-N 2 0 338.293 3.056 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCCCc2ccc(Br)cc21 ZINC000629530888 460797710 /nfs/dbraw/zinc/79/77/10/460797710.db2.gz UJULLIWLBMAHOD-INIZCTEOSA-N 2 0 341.293 3.042 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](c1ccc(F)cc1)c1ccc(Cl)cc1 ZINC000629530151 460798327 /nfs/dbraw/zinc/79/83/27/460798327.db2.gz WXZZMPKRBDTUTC-SFHVURJKSA-N 2 0 336.838 3.394 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](CC(C)C)c1cccc(Br)c1 ZINC000629530547 460798334 /nfs/dbraw/zinc/79/83/34/460798334.db2.gz JRKRLOIJZGGBNJ-INIZCTEOSA-N 2 0 343.309 3.362 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](c1cccc(F)c1)c1cccc(Cl)c1 ZINC000629529919 460798373 /nfs/dbraw/zinc/79/83/73/460798373.db2.gz QKNSWMNZFVBXCF-SFHVURJKSA-N 2 0 336.838 3.394 10 0 EGAERP [NH3+]C[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@@H]1C(F)(F)F ZINC000629564863 460810830 /nfs/dbraw/zinc/81/08/30/460810830.db2.gz VGSUWEOHCLBLCX-HOCLYGCPSA-N 2 0 330.394 3.305 10 0 EGAERP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000624111229 460864989 /nfs/dbraw/zinc/86/49/89/460864989.db2.gz QDOQKGZCHZSPEH-GHTZIAJQSA-N 2 0 332.532 3.469 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)N2CCC(CC)([NH+](C)C)CC2)c1 ZINC000632949883 460901915 /nfs/dbraw/zinc/90/19/15/460901915.db2.gz WHIDXARHRKYCJP-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000624271923 460942308 /nfs/dbraw/zinc/94/23/08/460942308.db2.gz MSBYHFVWGWJFAC-BURNTYAHSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@]1(C[NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CCCS1 ZINC000628205362 461048634 /nfs/dbraw/zinc/04/86/34/461048634.db2.gz MHRHWGJHYJUVSC-FQEVSTJZSA-N 2 0 347.572 3.464 10 0 EGAERP CC[C@@H]1CCCC[C@H]1C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000628279948 461070340 /nfs/dbraw/zinc/07/03/40/461070340.db2.gz IXEXQSQKUXMEID-DQKSBWHRSA-N 2 0 333.564 3.446 10 0 EGAERP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000662255004 461145387 /nfs/dbraw/zinc/14/53/87/461145387.db2.gz CKMRFRMBMLLQOS-YCRPNKLZSA-N 2 0 340.442 3.433 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCOc2cccc(Cl)c2)C1 ZINC000652360327 461154260 /nfs/dbraw/zinc/15/42/60/461154260.db2.gz FLYMBDHZPWSDBY-KBAYOESNSA-N 2 0 338.879 3.080 10 0 EGAERP C[C@H]1CC2(C[N@@H+]1Cc1cccc(F)c1OC(F)F)CC[NH2+]CC2 ZINC000662283867 461164679 /nfs/dbraw/zinc/16/46/79/461164679.db2.gz QTQKAYVSVXSLQZ-LBPRGKRZSA-N 2 0 328.378 3.391 10 0 EGAERP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293248 461171001 /nfs/dbraw/zinc/17/10/01/461171001.db2.gz FAOBRXVMQRLIDT-LPHOPBHVSA-N 2 0 343.515 3.288 10 0 EGAERP C[C@@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000668440544 461283019 /nfs/dbraw/zinc/28/30/19/461283019.db2.gz NWJPKKUUMGNNEX-GOSISDBHSA-N 2 0 330.516 3.346 10 0 EGAERP C[C@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655701761 461374302 /nfs/dbraw/zinc/37/43/02/461374302.db2.gz ZLNCKRQSOCSILU-OALUTQOASA-N 2 0 347.572 3.463 10 0 EGAERP c1c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn2c1CCCC2 ZINC000655718690 461386182 /nfs/dbraw/zinc/38/61/82/461386182.db2.gz PJTMFGFSSUPENK-UHFFFAOYSA-N 2 0 338.499 3.221 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccc(F)cc3[C@H](C)C2)CC1 ZINC000649894507 461429210 /nfs/dbraw/zinc/42/92/10/461429210.db2.gz NGMODGBYHMAWPQ-GOSISDBHSA-N 2 0 347.522 3.203 10 0 EGAERP CC(C)(C)C(=O)N1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000659842956 461449813 /nfs/dbraw/zinc/44/98/13/461449813.db2.gz JDBXNHAUDPYWJI-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cccc(Br)c3C2)C1 ZINC000655804094 461463422 /nfs/dbraw/zinc/46/34/22/461463422.db2.gz OXGTWKINLCSIGR-YUELXQCFSA-N 2 0 337.305 3.236 10 0 EGAERP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCc3c(F)cccc3F)CC2)C1 ZINC000655940656 461547774 /nfs/dbraw/zinc/54/77/74/461547774.db2.gz VHXASQAJLBZQQP-HNAYVOBHSA-N 2 0 338.442 3.116 10 0 EGAERP C[NH+]1CCC(C[NH2+]C2CCC(F)(F)CC2)(N2CCCCC2)CC1 ZINC000647187048 461553006 /nfs/dbraw/zinc/55/30/06/461553006.db2.gz BPVIADHNGVNZGQ-UHFFFAOYSA-N 2 0 329.479 3.104 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CCO[C@H]2CC2(F)F)CC1)CC1CC1 ZINC000660168624 461620370 /nfs/dbraw/zinc/62/03/70/461620370.db2.gz WLJHNUCGGRPFMY-KRWDZBQOSA-N 2 0 330.463 3.245 10 0 EGAERP COc1c(C)cccc1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656199683 461644376 /nfs/dbraw/zinc/64/43/76/461644376.db2.gz AXPPKXSBZCRHNH-GHTZIAJQSA-N 2 0 338.451 3.349 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000647343186 461648549 /nfs/dbraw/zinc/64/85/49/461648549.db2.gz HFWWVZVMNXYTTA-FJIDUMEYSA-N 2 0 326.525 3.059 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCO4)[C@@H]3C2)cc1 ZINC000639036495 461683341 /nfs/dbraw/zinc/68/33/41/461683341.db2.gz ANOKPHYDRKBVKC-BQJUDKOJSA-N 2 0 328.500 3.446 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)[C@H]1Sc1ccccc1 ZINC000656268584 461692538 /nfs/dbraw/zinc/69/25/38/461692538.db2.gz FQEUFGMMCPAISF-BSWVEEBUSA-N 2 0 334.529 3.255 10 0 EGAERP CC(C)CN(C[C@H](O)C[N@H+](C)C(C)C)[C@H]1CCCc2cccnc21 ZINC000660315989 461703244 /nfs/dbraw/zinc/70/32/44/461703244.db2.gz UEFSUKRCCKTVSJ-MOPGFXCFSA-N 2 0 333.520 3.118 10 0 EGAERP [NH3+]C1(CNC(=O)c2ccccc2CC2CC[NH2+]CC2)CCCCCC1 ZINC000669509176 461705989 /nfs/dbraw/zinc/70/59/89/461705989.db2.gz ZHGFJUSMDQFCOQ-UHFFFAOYSA-N 2 0 343.515 3.010 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2ccncc2)cc1 ZINC000656405666 461735967 /nfs/dbraw/zinc/73/59/67/461735967.db2.gz QIZBXQDRJXEAGM-BJESRGMDSA-N 2 0 347.506 3.467 10 0 EGAERP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784768 461893811 /nfs/dbraw/zinc/89/38/11/461893811.db2.gz HDSSUQDXSDJGLD-IBGZPJMESA-N 2 0 338.499 3.392 10 0 EGAERP Cc1ncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)n1-c1ccccc1 ZINC000656786712 461897979 /nfs/dbraw/zinc/89/79/79/461897979.db2.gz WWHHJZPPXLACCN-IBGZPJMESA-N 2 0 338.499 3.392 10 0 EGAERP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786643 461898580 /nfs/dbraw/zinc/89/85/80/461898580.db2.gz VKNQWGSDTNFKDZ-INIZCTEOSA-N 2 0 342.512 3.417 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH]nc1-c1cccc(OC)c1 ZINC000650718222 461910056 /nfs/dbraw/zinc/91/00/56/461910056.db2.gz CXCOQVXJMXEOHB-UHFFFAOYSA-N 2 0 336.439 3.095 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1Br ZINC000650743206 461929477 /nfs/dbraw/zinc/92/94/77/461929477.db2.gz OHWCQSCYHSFEIP-LLVKDONJSA-N 2 0 327.266 3.237 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000650758367 461939476 /nfs/dbraw/zinc/93/94/76/461939476.db2.gz OBPDTWBBSZKRSB-AVRDEDQJSA-N 3 0 337.511 3.406 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C(C)C)C1(CO)CC=CC1 ZINC000648070108 461967366 /nfs/dbraw/zinc/96/73/66/461967366.db2.gz ZDWYYDQPXLSFHJ-LJQANCHMSA-N 2 0 340.471 3.019 10 0 EGAERP CCN(CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1cccc(C)c1 ZINC000657292076 462021954 /nfs/dbraw/zinc/02/19/54/462021954.db2.gz GTGPDJWIVHMSEL-UHFFFAOYSA-N 2 0 335.455 3.192 10 0 EGAERP CCC(CC)[C@@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657429098 462116582 /nfs/dbraw/zinc/11/65/82/462116582.db2.gz PFOCNBOCIVDQJU-APWZRJJASA-N 2 0 328.460 3.341 10 0 EGAERP CCC(CC)[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657429105 462116589 /nfs/dbraw/zinc/11/65/89/462116589.db2.gz PFOCNBOCIVDQJU-VQIMIIECSA-N 2 0 328.460 3.341 10 0 EGAERP C([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1nc2c(s1)CCCC2 ZINC000657534525 462171074 /nfs/dbraw/zinc/17/10/74/462171074.db2.gz AMIKHOBPMHKPLN-UHFFFAOYSA-N 2 0 349.544 3.003 10 0 EGAERP Cc1c(Br)cncc1CN1CCC(c2c[nH]cn2)CC1 ZINC000667642719 462186580 /nfs/dbraw/zinc/18/65/80/462186580.db2.gz ILOQEIIPMVBTHE-UHFFFAOYSA-N 2 0 335.249 3.255 10 0 EGAERP Cc1cc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1C ZINC000657594692 462197950 /nfs/dbraw/zinc/19/79/50/462197950.db2.gz KKCHYOLQKMYTFR-QFIPXVFZSA-N 2 0 338.495 3.468 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3)cc2)C1 ZINC000657594713 462198084 /nfs/dbraw/zinc/19/80/84/462198084.db2.gz SKZSGPVUVLREDM-LJQANCHMSA-N 2 0 330.859 3.196 10 0 EGAERP CCc1cccc(F)c1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596903 462198832 /nfs/dbraw/zinc/19/88/32/462198832.db2.gz PGLUTWNIFNFZDU-IBGZPJMESA-N 2 0 342.458 3.245 10 0 EGAERP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597006 462199493 /nfs/dbraw/zinc/19/94/93/462199493.db2.gz QPRIOYWCGMNBEV-AVRDEDQJSA-N 2 0 338.495 3.282 10 0 EGAERP CC(C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648739616 462254658 /nfs/dbraw/zinc/25/46/58/462254658.db2.gz GJSSLVRUQFUSMX-AZUAARDMSA-N 2 0 334.504 3.168 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000667821204 462278463 /nfs/dbraw/zinc/27/84/63/462278463.db2.gz XSBHSLCOWOQKSZ-FPOVZHCZSA-N 2 0 344.499 3.064 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677525 462300906 /nfs/dbraw/zinc/30/09/06/462300906.db2.gz LBPUGMNOTWSAFZ-CZUORRHYSA-N 2 0 339.886 3.082 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657907025 462313195 /nfs/dbraw/zinc/31/31/95/462313195.db2.gz DYBBBMUUQOJXSA-KVPLUYHFSA-N 2 0 328.500 3.444 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753342 462325936 /nfs/dbraw/zinc/32/59/36/462325936.db2.gz NRBNDKMOYBHQLC-ZFWWWQNUSA-N 2 0 328.859 3.413 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1(C)C ZINC000651794263 462336395 /nfs/dbraw/zinc/33/63/95/462336395.db2.gz NVXIOLYBTNUIDU-OAHLLOKOSA-N 2 0 339.886 3.082 10 0 EGAERP FCC[C@H]1CCC[N@H+](CC2(C[NH+]3CCC[C@@H](CCF)C3)COC2)C1 ZINC000661691300 462368302 /nfs/dbraw/zinc/36/83/02/462368302.db2.gz TWYAJFLVIIOGCW-HDICACEKSA-N 2 0 344.490 3.146 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000658093641 462379665 /nfs/dbraw/zinc/37/96/65/462379665.db2.gz CLORBDYNWJTILZ-LSTHTHJFSA-N 2 0 338.536 3.061 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665276948 462380451 /nfs/dbraw/zinc/38/04/51/462380451.db2.gz POFCXAYCOLEAEA-NRSPTQNISA-N 3 0 341.543 3.266 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2ccc(SC)cc2)CC1 ZINC000665285099 462384662 /nfs/dbraw/zinc/38/46/62/462384662.db2.gz CLKUKAKQWOKHOF-OAHLLOKOSA-N 2 0 349.544 3.050 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000665287241 462385720 /nfs/dbraw/zinc/38/57/20/462385720.db2.gz GHNHUDXNKGXBLW-OAQYLSRUSA-N 2 0 343.515 3.026 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccncc1Cl ZINC000658134422 462398768 /nfs/dbraw/zinc/39/87/68/462398768.db2.gz AAIFYGSTVAZAKJ-WMLDXEAASA-N 2 0 345.874 3.152 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)cc2)C1 ZINC000658135398 462399032 /nfs/dbraw/zinc/39/90/32/462399032.db2.gz DLQGLRKGBLZQEK-AQNXPRMDSA-N 2 0 334.479 3.261 10 0 EGAERP C[C@H](CCc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138770 462402498 /nfs/dbraw/zinc/40/24/98/462402498.db2.gz NXCVXEZJQRCAJR-OXQOHEQNSA-N 2 0 344.524 3.426 10 0 EGAERP Cc1cccc2c1CC[C@@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139980 462403336 /nfs/dbraw/zinc/40/33/36/462403336.db2.gz PCBZNNXUXBPNHL-UGKGYDQZSA-N 2 0 336.479 3.339 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658141778 462405487 /nfs/dbraw/zinc/40/54/87/462405487.db2.gz UOENIQXOBPJIJI-YJBOKZPZSA-N 2 0 330.497 3.474 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144518 462406791 /nfs/dbraw/zinc/40/67/91/462406791.db2.gz MMQSJUBTLZCPDZ-QRWLVFNGSA-N 2 0 328.431 3.243 10 0 EGAERP CCC[N@@H+]1CC[C@@H](NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000658284880 462455177 /nfs/dbraw/zinc/45/51/77/462455177.db2.gz HJQGFFFHNVXMDG-WIYYLYMNSA-N 2 0 329.532 3.156 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1(C)C ZINC000652196275 462468612 /nfs/dbraw/zinc/46/86/12/462468612.db2.gz NHDUUXZAXAJONL-HXUWFJFHSA-N 2 0 344.547 3.319 10 0 EGAERP CCN(C(=O)CCC(C)(C)[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649305785 462474612 /nfs/dbraw/zinc/47/46/12/462474612.db2.gz ARUBBNMTQXTXGL-AEFFLSMTSA-N 2 0 331.504 3.188 10 0 EGAERP CC(C)(C)C(=O)N1CCC(C[NH+]2CCC(C[NH+]3CCCC3)CC2)CC1 ZINC000185185991 534430001 /nfs/dbraw/zinc/43/00/01/534430001.db2.gz CSQNKOIQORSDRK-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[C@@H](C(=O)N1CCC(C[N@H+](C)Cc2ccccc2)CC1)[NH+](C)C ZINC000131502578 528838959 /nfs/dbraw/zinc/83/89/59/528838959.db2.gz LQXMIGFLVRQVQX-FQEVSTJZSA-N 2 0 345.531 3.087 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000372981001 535601595 /nfs/dbraw/zinc/60/15/95/535601595.db2.gz KHQSEBSHGMEFJD-UHFFFAOYSA-N 2 0 343.515 3.275 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)C1(C(=O)OC)CCC1 ZINC000353338781 535805992 /nfs/dbraw/zinc/80/59/92/535805992.db2.gz URFSVNVWTYCWOU-LJQANCHMSA-N 2 0 344.499 3.494 10 0 EGAERP O[C@@H](C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000481035805 547964065 /nfs/dbraw/zinc/96/40/65/547964065.db2.gz LHECVQSPPZXUSP-SFTDATJTSA-N 2 0 330.516 3.224 10 0 EGAERP CC[C@H](Cc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658144339 548169914 /nfs/dbraw/zinc/16/99/14/548169914.db2.gz LRQADRPKIKRZPQ-FGZHOGPDSA-N 2 0 338.495 3.364 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000670801987 548237786 /nfs/dbraw/zinc/23/77/86/548237786.db2.gz JZKOPYVWUPDMGV-QGZVFWFLSA-N 2 0 348.450 3.071 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@@H]1F ZINC000679357785 549694765 /nfs/dbraw/zinc/69/47/65/549694765.db2.gz BCWRAGUAVCAGGF-APWZRJJASA-N 2 0 333.495 3.397 10 0 EGAERP Cc1cc([C@@H]([NH2+][C@@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)ccc1F ZINC000678687441 576169436 /nfs/dbraw/zinc/16/94/36/576169436.db2.gz YSQWNENQJADZFO-NQIIRXRSSA-N 2 0 345.506 3.343 10 0 EGAERP COc1ccc2cc([C@@H]3C[N@H+](CC4CC[NH2+]CC4)CCO3)ccc2c1 ZINC000071404239 1292268334 /nfs/dbraw/zinc/26/83/34/1292268334.db2.gz DHJIGQBOXREPPK-NRFANRHFSA-N 2 0 340.467 3.221 10 0 EGAERP c1cc(COc2ccc(C[NH2+]C[C@@H]3CC[N@@H+](C4CC4)C3)cc2)ccn1 ZINC000075780427 1292411376 /nfs/dbraw/zinc/41/13/76/1292411376.db2.gz ABAAIFRQHMJKGX-IBGZPJMESA-N 2 0 337.467 3.235 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]C[C@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000158225110 1294200307 /nfs/dbraw/zinc/20/03/07/1294200307.db2.gz HMUHVHBTUNGLGC-QGZVFWFLSA-N 2 0 339.524 3.238 10 0 EGAERP C[C@@H]1CCN(Cc2c[nH]c3ccc(Br)cc23)C[C@@H]1C[NH3+] ZINC000163485324 1294334008 /nfs/dbraw/zinc/33/40/08/1294334008.db2.gz JFTVLFQJFMJCMS-NEPJUHHUSA-N 2 0 336.277 3.347 10 0 EGAERP COc1cc2c(c(CNC[C@@H](C)C[NH+]3CCCCC3)c1)O[C@@H](C)C2 ZINC000237422321 1296240689 /nfs/dbraw/zinc/24/06/89/1296240689.db2.gz HYHJGAOSDJKGKC-CVEARBPZSA-N 2 0 332.488 3.230 10 0 EGAERP Fc1cc(C[N@@H+]2CCC3(C2)CC[NH2+]CC3)ccc1Br ZINC000262079546 1296616015 /nfs/dbraw/zinc/61/60/15/1296616015.db2.gz SWHJHKOVDZZWJR-UHFFFAOYSA-N 2 0 327.241 3.164 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)cc[nH+]1 ZINC000872047043 1296696101 /nfs/dbraw/zinc/69/61/01/1296696101.db2.gz OTWJJPDCSDFEKW-GOSISDBHSA-N 2 0 329.488 3.379 10 0 EGAERP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc3C2)CC1 ZINC000872047406 1296697708 /nfs/dbraw/zinc/69/77/08/1296697708.db2.gz BESQVRPVGFAMNK-BHDDXSALSA-N 2 0 342.527 3.292 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H]3CCOC4(CCCC4)C3)CC2)ccn1 ZINC000872083800 1296723647 /nfs/dbraw/zinc/72/36/47/1296723647.db2.gz AAYHHRBZLOEVLE-HXUWFJFHSA-N 2 0 343.515 3.375 10 0 EGAERP C[C@H](C(=O)Nc1ccc(N2CCCC2)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872155595 1296771313 /nfs/dbraw/zinc/77/13/13/1296771313.db2.gz SATQOXSABQNRJI-QGZVFWFLSA-N 2 0 346.519 3.065 10 0 EGAERP C[C@H](C(=O)Nc1cccc2ncccc21)[N@H+](C)CCCCCC[NH3+] ZINC000872155313 1296772868 /nfs/dbraw/zinc/77/28/68/1296772868.db2.gz HQNANGIMUDUTEB-OAHLLOKOSA-N 2 0 328.460 3.013 10 0 EGAERP C(=C\[C@H]1CCC[NH2+]C1)\c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000872174568 1296796357 /nfs/dbraw/zinc/79/63/57/1296796357.db2.gz BQZUZNUZDFOKNZ-HLRDLLSLSA-N 2 0 338.455 3.345 10 0 EGAERP CC(C)C[NH+]1CCC(NC[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310064223 1297087899 /nfs/dbraw/zinc/08/78/99/1297087899.db2.gz APBPTOLXGIPWGF-FQEVSTJZSA-N 2 0 329.532 3.219 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638652 1297096519 /nfs/dbraw/zinc/09/65/19/1297096519.db2.gz GGEIWYWIWPGVCX-ROUUACIJSA-N 2 0 347.503 3.326 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCC12CCOCC2 ZINC000873249386 1297388926 /nfs/dbraw/zinc/38/89/26/1297388926.db2.gz NCMBYXMTIWVJEW-YRISNDGFSA-N 2 0 342.483 3.039 10 0 EGAERP CN(C[C@@H]1CC[N@H+](Cc2ccccc2)C1)C[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000382755491 1297564862 /nfs/dbraw/zinc/56/48/62/1297564862.db2.gz MXUUGEKYHUVWQZ-REWPJTCUSA-N 2 0 349.522 3.155 10 0 EGAERP C[C@@](O)(C[NH2+]C[C@@H]1CCC[N@H+](Cc2ccccc2)C1)c1ccccc1 ZINC000385512498 1297585272 /nfs/dbraw/zinc/58/52/72/1297585272.db2.gz BBIPHWHRVMVFNP-RBBKRZOGSA-N 2 0 338.495 3.396 10 0 EGAERP C[C@@H]1CC[C@H](N2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)C[NH2+]1 ZINC000398996587 1297721987 /nfs/dbraw/zinc/72/19/87/1297721987.db2.gz PQJDOJSCALSEFF-QUCCMNQESA-N 2 0 327.516 3.115 10 0 EGAERP C[C@@H]1CN(C(=O)CC[NH2+]C(C)(C)C)[C@H](C)[C@H](C)[N@@H+]1Cc1ccccc1 ZINC000404366329 1297751210 /nfs/dbraw/zinc/75/12/10/1297751210.db2.gz HBUUWHFIPWOUNN-FGTMMUONSA-N 2 0 345.531 3.275 10 0 EGAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](C[C@H]4C[C@]45CCOC5)C3)C2)cc1 ZINC000886202840 1303393266 /nfs/dbraw/zinc/39/32/66/1303393266.db2.gz GGUGWMFKHLEZCM-HKBOAZHASA-N 2 0 326.484 3.011 10 0 EGAERP c1cn2cc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)sc2n1 ZINC000892462346 1305386934 /nfs/dbraw/zinc/38/69/34/1305386934.db2.gz ODNYFFUZGBCPBO-UHFFFAOYSA-N 2 0 326.469 3.281 10 0 EGAERP COc1cc(C)cc(C[N@@H+]2CC[C@@H](C3CC[NH+](C)CC3)C2)c1OC ZINC000894779703 1309065251 /nfs/dbraw/zinc/06/52/51/1309065251.db2.gz MGNDKTIFGKEVBC-QGZVFWFLSA-N 2 0 332.488 3.176 10 0 EGAERP CN(Cc1ccns1)Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000895453027 1309345291 /nfs/dbraw/zinc/34/52/91/1309345291.db2.gz BJEWNQSDPAYLNV-UHFFFAOYSA-N 2 0 344.528 3.306 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCOC12CCCC2 ZINC000898111437 1310596215 /nfs/dbraw/zinc/59/62/15/1310596215.db2.gz DPSQTIQXNFIBNJ-FQEVSTJZSA-N 2 0 344.499 3.353 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]CC[C@H]4CCOC4)CC[C@@H]3C2)cc1 ZINC000898518425 1310774793 /nfs/dbraw/zinc/77/47/93/1310774793.db2.gz ILKGQZFWYMIGQR-WOZUAGRISA-N 2 0 328.500 3.303 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]CCC[C@@H]4CCO4)CC[C@@H]3C2)cc1 ZINC000898518980 1310774968 /nfs/dbraw/zinc/77/49/68/1310774968.db2.gz LJPZDKRKJHGDAX-PLACYPQZSA-N 2 0 328.500 3.446 10 0 EGAERP C[NH+](C)Cc1ccc(NC(=O)C[C@H]2CC[N@H+](C)C2)cc1C(F)(F)F ZINC000899671849 1317128879 /nfs/dbraw/zinc/12/88/79/1317128879.db2.gz FSBULIVUJOOZHL-GFCCVEGCSA-N 2 0 343.393 3.047 10 0 EGAERP CC(C)[C@@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000858194266 1328708648 /nfs/dbraw/zinc/70/86/48/1328708648.db2.gz BSMYGNJSWKCTPL-JKSUJKDBSA-N 2 0 341.540 3.388 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccns1 ZINC000858316894 1328735687 /nfs/dbraw/zinc/73/56/87/1328735687.db2.gz CLRQOZCVSOSLPW-HNNXBMFYSA-N 2 0 331.485 3.469 10 0 EGAERP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](CC)C[C@@H]2C)CCN1C(=O)OC(C)(C)C ZINC000858501088 1328780782 /nfs/dbraw/zinc/78/07/82/1328780782.db2.gz XBXKBANMURIDTJ-VVLHAWIVSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCC[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921544989 1322347433 /nfs/dbraw/zinc/34/74/33/1322347433.db2.gz WFYVOJZNLHXPEU-GASCZTMLSA-N 2 0 331.460 3.381 10 0 EGAERP Cc1cnc(Cl)c(C[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)c1 ZINC000921759782 1322394019 /nfs/dbraw/zinc/39/40/19/1322394019.db2.gz NGKPPHVASXUSKV-HUUCEWRRSA-N 2 0 325.884 3.022 10 0 EGAERP CS[C@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000921792375 1322398940 /nfs/dbraw/zinc/39/89/40/1322398940.db2.gz WYIGTFBPGXRMJU-ROUUACIJSA-N 2 0 339.593 3.201 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)CC2)cc[nH+]1 ZINC000921960883 1322430303 /nfs/dbraw/zinc/43/03/03/1322430303.db2.gz LBWISTMAPSJBSS-IPMKNSEASA-N 2 0 329.488 3.093 10 0 EGAERP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376713 1322742010 /nfs/dbraw/zinc/74/20/10/1322742010.db2.gz DYCGLWLXKOYRKV-ZWKOTPCHSA-N 2 0 342.508 3.308 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C[C@@H](O)c2ccc(F)cc2Cl)C1 ZINC000923413872 1322747221 /nfs/dbraw/zinc/74/72/21/1322747221.db2.gz JJBIRGGZSHQQGJ-NVXWUHKLSA-N 2 0 328.859 3.209 10 0 EGAERP C[C@H](c1ccc(F)c(Cl)c1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449549 1322753535 /nfs/dbraw/zinc/75/35/35/1322753535.db2.gz OWFJJBGLEKXWSA-OCCSQVGLSA-N 2 0 326.843 3.370 10 0 EGAERP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923499014 1322762419 /nfs/dbraw/zinc/76/24/19/1322762419.db2.gz PYUOSTJWVNZRIB-ZIAGYGMSSA-N 2 0 330.428 3.026 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1C[NH3+] ZINC000923501699 1322763462 /nfs/dbraw/zinc/76/34/62/1322763462.db2.gz SMCWLSFQXWIOEF-LPHOPBHVSA-N 2 0 325.456 3.077 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923503186 1322763575 /nfs/dbraw/zinc/76/35/75/1322763575.db2.gz HQTGAFZAZXITFQ-ULQDDVLXSA-N 2 0 331.504 3.362 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923504116 1322764743 /nfs/dbraw/zinc/76/47/43/1322764743.db2.gz NYKYFQJTIJZBJF-HLLBOEOZSA-N 2 0 325.456 3.084 10 0 EGAERP C[C@@H](C(=O)Nc1cccc(Cl)c1Cl)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923507240 1322765655 /nfs/dbraw/zinc/76/56/55/1322765655.db2.gz JHZDIHFGFVZWKR-WOPDTQHZSA-N 2 0 344.286 3.237 10 0 EGAERP [NH3+]CCCCCCC[N@@H+]1CCOC[C@H]1C[C@H]1CNc2ccccc21 ZINC000923548363 1322774427 /nfs/dbraw/zinc/77/44/27/1322774427.db2.gz AJPIFHOKLIVAKJ-ZWKOTPCHSA-N 2 0 331.504 3.196 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)c1 ZINC000924672571 1323105802 /nfs/dbraw/zinc/10/58/02/1323105802.db2.gz UELSSKCJQMRBJJ-LEWJYISDSA-N 2 0 346.515 3.346 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(-n2ccnc2C)nc1)c1cccc(OC)n1 ZINC000924722144 1323133549 /nfs/dbraw/zinc/13/35/49/1323133549.db2.gz GEMUFUATMSGFNC-INIZCTEOSA-N 2 0 337.427 3.220 10 0 EGAERP COCCC[NH+]1CCC(N[C@H]2CCCc3c(Cl)ccnc32)CC1 ZINC000924912974 1323210107 /nfs/dbraw/zinc/21/01/07/1323210107.db2.gz SPGBQBSWSBDFPT-KRWDZBQOSA-N 2 0 337.895 3.203 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cnn(C3CCC3)c2)[C@@H](C)C1 ZINC000925077724 1323268351 /nfs/dbraw/zinc/26/83/51/1323268351.db2.gz HOTJNVFBZLMYKR-QKLQHJQFSA-N 2 0 348.535 3.396 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(F)cc1 ZINC000925480527 1325168500 /nfs/dbraw/zinc/16/85/00/1325168500.db2.gz FVNGIAUVQNKQSA-VAMGGRTRSA-N 2 0 333.495 3.186 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925486967 1325172919 /nfs/dbraw/zinc/17/29/19/1325172919.db2.gz VAPKZIPSSMYFBT-OEAJRASXSA-N 2 0 342.405 3.105 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925487837 1325174254 /nfs/dbraw/zinc/17/42/54/1325174254.db2.gz XORGSFHPWJXGOC-UAFONNFLSA-N 2 0 349.469 3.157 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498751 1325177578 /nfs/dbraw/zinc/17/75/78/1325177578.db2.gz SDOABQSPEGNXTP-CABCVRRESA-N 2 0 335.289 3.340 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000925527413 1325191163 /nfs/dbraw/zinc/19/11/63/1325191163.db2.gz QPAFOHHTGVNGMZ-FUHWJXTLSA-N 2 0 329.488 3.421 10 0 EGAERP COc1ccc(COCCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925566096 1325213136 /nfs/dbraw/zinc/21/31/36/1325213136.db2.gz DCLZBVMOLJJISW-RTWAWAEBSA-N 2 0 346.515 3.360 10 0 EGAERP COCCOCc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925675483 1325258271 /nfs/dbraw/zinc/25/82/71/1325258271.db2.gz HWKMRAGUPQHJHC-LEWJYISDSA-N 2 0 346.515 3.108 10 0 EGAERP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000925683458 1325261261 /nfs/dbraw/zinc/26/12/61/1325261261.db2.gz QJGYWOKZWWWJJA-JOCLIGHLSA-N 2 0 332.488 3.378 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](CO)c2cccc(C(F)(F)F)c2)C1 ZINC000925724954 1325270582 /nfs/dbraw/zinc/27/05/82/1325270582.db2.gz OFJUPUXLAFJJEL-RBSFLKMASA-N 2 0 330.394 3.234 10 0 EGAERP C[C@@H](NCc1cc(C(F)(F)F)ccc1Br)C1C[NH2+]C1 ZINC000925772790 1325293077 /nfs/dbraw/zinc/29/30/77/1325293077.db2.gz JYAXZWOARSSXQT-MRVPVSSYSA-N 2 0 337.183 3.165 10 0 EGAERP COc1cc(OC)c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925797439 1325306265 /nfs/dbraw/zinc/30/62/65/1325306265.db2.gz HJTINXYJXARTDZ-FRRDWIJNSA-N 2 0 326.868 3.253 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(F)c1 ZINC000925807584 1325310016 /nfs/dbraw/zinc/31/00/16/1325310016.db2.gz FOPCBIRNUFHISO-MRXNPFEDSA-N 2 0 327.447 3.082 10 0 EGAERP CC(C)CCOc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925807176 1325310251 /nfs/dbraw/zinc/31/02/51/1325310251.db2.gz CZFZVLJKXRXPJA-KRWDZBQOSA-N 2 0 333.520 3.185 10 0 EGAERP C[NH+](C)CC[C@@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925825636 1325318790 /nfs/dbraw/zinc/31/87/90/1325318790.db2.gz AZWGYGHKYPCETB-VQTJNVASSA-N 2 0 326.488 3.144 10 0 EGAERP Fc1ccc2c(c1)[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)CCS2 ZINC000925844210 1325324859 /nfs/dbraw/zinc/32/48/59/1325324859.db2.gz IZYKESQYOLABOQ-QGZVFWFLSA-N 2 0 337.508 3.028 10 0 EGAERP CSc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1F ZINC000925843317 1325325871 /nfs/dbraw/zinc/32/58/71/1325325871.db2.gz DXTHDGBGDCQNDG-HNNXBMFYSA-N 2 0 339.524 3.274 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925853016 1325330079 /nfs/dbraw/zinc/33/00/79/1325330079.db2.gz JECPIFLWVDHAOF-CRAIPNDOSA-N 2 0 330.472 3.146 10 0 EGAERP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851936 1325330251 /nfs/dbraw/zinc/33/02/51/1325330251.db2.gz UBPIFWMEEMRZJJ-QFBILLFUSA-N 2 0 344.499 3.221 10 0 EGAERP CCSc1ccc([C@@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925851717 1325331009 /nfs/dbraw/zinc/33/10/09/1325331009.db2.gz NGVFIAIXTGCPEQ-GDBMZVCRSA-N 2 0 348.512 3.135 10 0 EGAERP O=C1O[C@H](C[NH2+]C2CCC3(CCCCC3)CC2)CC12CC[NH2+]CC2 ZINC000925853571 1325331319 /nfs/dbraw/zinc/33/13/19/1325331319.db2.gz ZZJQXJFWJDZKPF-KRWDZBQOSA-N 2 0 334.504 3.154 10 0 EGAERP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]C[C@@H]1CC[C@H]([NH3+])C1 ZINC000925876751 1325339637 /nfs/dbraw/zinc/33/96/37/1325339637.db2.gz HINYUIZEMOZHIF-XQQFMLRXSA-N 2 0 343.393 3.140 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000925886362 1325343734 /nfs/dbraw/zinc/34/37/34/1325343734.db2.gz FMAGPBWNIUMKHV-SBHAEUEKSA-N 2 0 332.451 3.148 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@H]2CC[C@@H](C(=O)N3CCCCC3)C2)CC1 ZINC000926353082 1325523941 /nfs/dbraw/zinc/52/39/41/1325523941.db2.gz ZBFUDKFDTNTAFP-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP CSC1(C[NH2+][C@H]2CCc3c2nccc3Cl)CC[NH+](C)CC1 ZINC000926447363 1325558167 /nfs/dbraw/zinc/55/81/67/1325558167.db2.gz BAYKNTLQHNJDCR-AWEZNQCLSA-N 2 0 325.909 3.139 10 0 EGAERP COCC[C@@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926452767 1325560670 /nfs/dbraw/zinc/56/06/70/1325560670.db2.gz HEWUJHRIAOSBSX-UDEWTMQYSA-N 2 0 346.515 3.213 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H](C2CC2)C2CCOCC2)[C@H](c2ccccc2)C1 ZINC000926636422 1327647514 /nfs/dbraw/zinc/64/75/14/1327647514.db2.gz VGTCMCMUBIUVAD-HKBOAZHASA-N 2 0 328.500 3.127 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000926665626 1327659002 /nfs/dbraw/zinc/65/90/02/1327659002.db2.gz JCRQRAGBZKUOAD-OSAQELSMSA-N 2 0 338.293 3.151 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cc(-c2ccccc2)no1 ZINC000926686125 1327666276 /nfs/dbraw/zinc/66/62/76/1327666276.db2.gz NAFKNWMIZRXXLU-DLBZAZTESA-N 2 0 344.503 3.264 10 0 EGAERP C[C@@H]([NH2+]CC[C@@H](N(C)C)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926960472 1327798630 /nfs/dbraw/zinc/79/86/30/1327798630.db2.gz WACARTHNSBIQJQ-CZUORRHYSA-N 2 0 331.426 3.281 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@H](C)c1ccc(OC)c(C[NH+]2CCCCC2)c1 ZINC000863542837 1329561983 /nfs/dbraw/zinc/56/19/83/1329561983.db2.gz GZDAPGGOARZAQQ-LSTHTHJFSA-N 2 0 345.531 3.472 10 0 EGAERP CC(C)[C@@H]1C[C@H]([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CCO1 ZINC000865773972 1329736913 /nfs/dbraw/zinc/73/69/13/1329736913.db2.gz KVGJFCPUYLADOD-UXHICEINSA-N 2 0 330.516 3.443 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccncc2Cl)(c2ccccc2)CC1 ZINC000865775580 1329737133 /nfs/dbraw/zinc/73/71/33/1329737133.db2.gz ZDQGKBPJGSNFIK-UHFFFAOYSA-N 2 0 329.875 3.488 10 0 EGAERP c1cn(CCC[NH+]2CCC(c3ccccc3)([NH+]3CCCC3)CC2)cn1 ZINC000933548141 1329899551 /nfs/dbraw/zinc/89/95/51/1329899551.db2.gz SAVJJUXLUHFNOX-UHFFFAOYSA-N 2 0 338.499 3.360 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000866225534 1330080752 /nfs/dbraw/zinc/08/07/52/1330080752.db2.gz ABJOYOONTOLWNU-HNAYVOBHSA-N 2 0 333.495 3.065 10 0 EGAERP C[C@H](CCc1cccnc1)[NH2+]Cc1cccc(OCC[NH+](C)C)c1 ZINC000866239679 1330083633 /nfs/dbraw/zinc/08/36/33/1330083633.db2.gz ZMPHYQPRLUWFDM-QGZVFWFLSA-N 2 0 327.472 3.133 10 0 EGAERP C[C@H](C[NH2+][C@H]1CCc2cccc3cccc1c32)CN1CC[NH+](C)CC1 ZINC000866259958 1330086828 /nfs/dbraw/zinc/08/68/28/1330086828.db2.gz RDCRTLRPHMUCSI-UTKZUKDTSA-N 2 0 337.511 3.300 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323145819 1387302088 /nfs/dbraw/zinc/30/20/88/1387302088.db2.gz ASPYIILGMLVBNF-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323145821 1387302098 /nfs/dbraw/zinc/30/20/98/1387302098.db2.gz ASPYIILGMLVBNF-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001323148095 1387302812 /nfs/dbraw/zinc/30/28/12/1387302812.db2.gz JCJQEFHCTTVDHW-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCn1ccnc1C ZINC001323694901 1387423380 /nfs/dbraw/zinc/42/33/80/1387423380.db2.gz AKXMEEBUIRSXLH-MOPGFXCFSA-N 2 0 344.503 3.003 10 0 EGAERP CC(C)CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001323736057 1387437908 /nfs/dbraw/zinc/43/79/08/1387437908.db2.gz IYGRJHCFKGKCIH-IBGZPJMESA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[NH+]1CCCC1 ZINC001324097976 1387540959 /nfs/dbraw/zinc/54/09/59/1387540959.db2.gz OCKGNVPXJBMZKY-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001324317875 1387589926 /nfs/dbraw/zinc/58/99/26/1387589926.db2.gz CTVRINZKWKVHDY-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324466181 1387631820 /nfs/dbraw/zinc/63/18/20/1387631820.db2.gz CSNZIUMBIZNJQL-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP O=C(N[C@@H](C[NH2+]CC1CC1)C1CCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001324484359 1387642486 /nfs/dbraw/zinc/64/24/86/1387642486.db2.gz WWOVRUKPLMHJHD-VQTJNVASSA-N 2 0 347.547 3.068 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324640964 1387713282 /nfs/dbraw/zinc/71/32/82/1387713282.db2.gz HCCHCACPIJURNF-AZUAARDMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CCC2=CCCCC2)C1 ZINC001324675477 1387732305 /nfs/dbraw/zinc/73/23/05/1387732305.db2.gz XXRXWSTZCOPJSP-NRFANRHFSA-N 2 0 347.547 3.334 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001324727252 1387753972 /nfs/dbraw/zinc/75/39/72/1387753972.db2.gz GLKAFIRARVSDKR-WHVVTYLOSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001324750093 1387760094 /nfs/dbraw/zinc/76/00/94/1387760094.db2.gz FBUJTBHVTCVUCS-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001324804911 1387779899 /nfs/dbraw/zinc/77/98/99/1387779899.db2.gz WHPYXNLPUWXGKH-OAQYLSRUSA-N 2 0 343.515 3.156 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001324936827 1387834317 /nfs/dbraw/zinc/83/43/17/1387834317.db2.gz QGALDWQEZFVCJQ-TZIWHRDSSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[N@H+](C[C@H]1COC2(CCCCC2)O1)CC1CC[NH+](C)CC1 ZINC001197193548 1368762640 /nfs/dbraw/zinc/76/26/40/1368762640.db2.gz CNHKUUIROOATOE-IBGZPJMESA-N 2 0 338.536 3.362 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001325628902 1388015010 /nfs/dbraw/zinc/01/50/10/1388015010.db2.gz GNEIJVAVGCSJKV-IYWMVGAKSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1)[NH+]1CCCC1 ZINC001325663231 1388023990 /nfs/dbraw/zinc/02/39/90/1388023990.db2.gz WEEWGXRSMVNJGR-WGSAOQKQSA-N 2 0 349.563 3.173 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1ccnc1 ZINC001325894350 1388067349 /nfs/dbraw/zinc/06/73/49/1388067349.db2.gz APSLISIGUVJDDV-WWAPKCSDSA-N 2 0 344.503 3.085 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCCCC1 ZINC001325917974 1388082243 /nfs/dbraw/zinc/08/22/43/1388082243.db2.gz CPVZQXPWLVINCI-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC001326040829 1388104235 /nfs/dbraw/zinc/10/42/35/1388104235.db2.gz FFEBKYLALBOKSO-HNSSHINMSA-N 2 0 340.471 3.182 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001266023423 1377177177 /nfs/dbraw/zinc/17/71/77/1377177177.db2.gz LJSDNSXRVTXJCQ-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC1CCC1 ZINC001266222319 1377234172 /nfs/dbraw/zinc/23/41/72/1377234172.db2.gz ADRFWDMREHDKQT-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001266240221 1377242454 /nfs/dbraw/zinc/24/24/54/1377242454.db2.gz RDCXAWIJEFTTAF-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001266240218 1377243004 /nfs/dbraw/zinc/24/30/04/1377243004.db2.gz RDCXAWIJEFTTAF-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccc([C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC001135926522 1377264982 /nfs/dbraw/zinc/26/49/82/1377264982.db2.gz LCRPBJKRQNFVQD-ZCNNSNEGSA-N 2 0 345.531 3.088 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001266327475 1377274324 /nfs/dbraw/zinc/27/43/24/1377274324.db2.gz GDWCBNMFOFAVAJ-QGZVFWFLSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546303 1377330623 /nfs/dbraw/zinc/33/06/23/1377330623.db2.gz SUAIRLJCKWXKGH-SJORKVTESA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@H](C(=O)NCC[N@H+]([C@@H](C)c1cc(C)ccc1C)C1CC1)[NH+](C)C ZINC001266596342 1377341618 /nfs/dbraw/zinc/34/16/18/1377341618.db2.gz BBZUCGMJBUAOSC-FXAWDEMLSA-N 2 0 345.531 3.285 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267047408 1377408399 /nfs/dbraw/zinc/40/83/99/1377408399.db2.gz NKQCSHHZIIJDPA-PHWHVTFISA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267117140 1377414359 /nfs/dbraw/zinc/41/43/59/1377414359.db2.gz PFVQFKDXSYXRNU-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CCC(CC)C[N@H+](CC)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001267250335 1377431645 /nfs/dbraw/zinc/43/16/45/1377431645.db2.gz KJZYMUXXKVJCRN-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP CC1CCC(C[NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001268590263 1377513628 /nfs/dbraw/zinc/51/36/28/1377513628.db2.gz DODRTYGWOSOXMI-SREVYHEPSA-N 2 0 337.552 3.053 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)CC2 ZINC001270850670 1377615896 /nfs/dbraw/zinc/61/58/96/1377615896.db2.gz CCGNZOWJSKYSOX-HMECNJMJSA-N 2 0 347.547 3.142 10 0 EGAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001270966220 1377619539 /nfs/dbraw/zinc/61/95/39/1377619539.db2.gz WBADXIRPMGXINU-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001271671885 1377645862 /nfs/dbraw/zinc/64/58/62/1377645862.db2.gz BINMIENQWNHLQO-FXAWDEMLSA-N 2 0 343.515 3.012 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001272465724 1378074315 /nfs/dbraw/zinc/07/43/15/1378074315.db2.gz JHWXLARCTPKGOJ-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001327488294 1388533410 /nfs/dbraw/zinc/53/34/10/1388533410.db2.gz FXLDAQMUYOIBJN-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001278521427 1378277657 /nfs/dbraw/zinc/27/76/57/1378277657.db2.gz NNQKRGWCIGLRSP-UYAOXDASSA-N 2 0 345.531 3.033 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CC(C)(C)C2)CC1)[NH+](CC)CC ZINC001279636110 1378317359 /nfs/dbraw/zinc/31/73/59/1378317359.db2.gz IBLMQOCRROJULC-LJQANCHMSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CC3CCCCC3)CCCCC2)CC1 ZINC001282619706 1378518961 /nfs/dbraw/zinc/51/89/61/1378518961.db2.gz YREYZNXPLUYHLC-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC2CCCCCC2)C1)[NH+](C)C ZINC001282736384 1378586881 /nfs/dbraw/zinc/58/68/81/1378586881.db2.gz BLOIRAIEQYAPID-QFBILLFUSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001282820800 1378627137 /nfs/dbraw/zinc/62/71/37/1378627137.db2.gz MTEKYOOJWXMQQK-MGBKSAOESA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2cccc(C)c2)CC1(C)C ZINC001282833422 1378634885 /nfs/dbraw/zinc/63/48/85/1378634885.db2.gz OCBGRTQAURCVKZ-MJGOQNOKSA-N 2 0 345.531 3.224 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@]2(C)C[N@H+](CCCC3CCC3)C[C@]2(C)C1 ZINC001282992010 1378699310 /nfs/dbraw/zinc/69/93/10/1378699310.db2.gz FFGMEYXSTZJLFR-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H](CCC[NH2+][C@H]1CCc2ccccc21)NC(=O)C1([NH+](C)C)CCC1 ZINC001283187328 1378756427 /nfs/dbraw/zinc/75/64/27/1378756427.db2.gz TXSDBDWLBOMPCI-APWZRJJASA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001283233282 1378767953 /nfs/dbraw/zinc/76/79/53/1378767953.db2.gz RUXQHGOFBGADLO-CVEARBPZSA-N 2 0 349.494 3.103 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1C ZINC001283240597 1378769480 /nfs/dbraw/zinc/76/94/80/1378769480.db2.gz VOKAIXMLJRXQMP-APWZRJJASA-N 2 0 345.531 3.020 10 0 EGAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001147587456 1379046455 /nfs/dbraw/zinc/04/64/55/1379046455.db2.gz BYXWIQNFZFDDFW-PMACEKPBSA-N 2 0 347.547 3.307 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C3CC[NH+](C)CC3)cc2C1 ZINC001327696800 1388586372 /nfs/dbraw/zinc/58/63/72/1388586372.db2.gz WDVYSIDSCYLMCU-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001283629496 1379065315 /nfs/dbraw/zinc/06/53/15/1379065315.db2.gz JJXVJYJJTUTAGQ-PKOBYXMFSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001283724704 1379146754 /nfs/dbraw/zinc/14/67/54/1379146754.db2.gz VDQHUDIRSNORCR-XBMUEBEBSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)[C@@H]1C ZINC001283913522 1379263903 /nfs/dbraw/zinc/26/39/03/1379263903.db2.gz NPIPLMHPVRTGFX-XLIONFOSSA-N 2 0 345.531 3.029 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001149140442 1379332669 /nfs/dbraw/zinc/33/26/69/1379332669.db2.gz VWTSWEKHZDJTEK-MISYRCLQSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)CN1C(=O)CC[NH+](C)C ZINC001284005905 1379357297 /nfs/dbraw/zinc/35/72/97/1379357297.db2.gz YJLJQAZPZXFAFY-VQIMIIECSA-N 2 0 345.531 3.015 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001284057254 1379409413 /nfs/dbraw/zinc/40/94/13/1379409413.db2.gz KMBIDPAURNIAOP-WIYYLYMNSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001284066159 1379422232 /nfs/dbraw/zinc/42/22/32/1379422232.db2.gz FFPGBSMQOVBOHC-WAOWUJCRSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001284067065 1379424937 /nfs/dbraw/zinc/42/49/37/1379424937.db2.gz JWJNTNNVCQDSNV-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CCCC1CCC1)CC2)[NH+](C)C ZINC001284072444 1379436231 /nfs/dbraw/zinc/43/62/31/1379436231.db2.gz RITXNZWWKGQOQG-HBFSDRIKSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@H]2C1 ZINC001284097407 1379464164 /nfs/dbraw/zinc/46/41/64/1379464164.db2.gz QWPYYCZXZZCMFU-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001284192387 1379585290 /nfs/dbraw/zinc/58/52/90/1379585290.db2.gz RKAJKEQBHLDKCP-QZTJIDSGSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)C1(C(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CCC1 ZINC001284291938 1379679316 /nfs/dbraw/zinc/67/93/16/1379679316.db2.gz NDOACJNFMYUPID-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001284553511 1379961134 /nfs/dbraw/zinc/96/11/34/1379961134.db2.gz NXNHBJGHKJUWBO-UHFFFAOYSA-N 2 0 345.531 3.331 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001284589304 1379990370 /nfs/dbraw/zinc/99/03/70/1379990370.db2.gz HRXFGWRHBKFRHM-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001284731551 1380150868 /nfs/dbraw/zinc/15/08/68/1380150868.db2.gz KRTLYWGRXKOODW-KRWDZBQOSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]CC2CCCCC2)C1)[NH+](CC)CC ZINC001284790302 1380212134 /nfs/dbraw/zinc/21/21/34/1380212134.db2.gz RFVZTSDLOYMCTR-CTWPCTMYSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001284948497 1380326697 /nfs/dbraw/zinc/32/66/97/1380326697.db2.gz KQMMCRKDQCIFJS-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP O=C(Nc1ccccc1Nc1cc[nH+]cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001156432452 1380575763 /nfs/dbraw/zinc/57/57/63/1380575763.db2.gz VOFUMSWMRYNGTD-APWZRJJASA-N 2 0 336.439 3.203 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097981 1388669699 /nfs/dbraw/zinc/66/96/99/1388669699.db2.gz KFNWHQAPNXVIDV-YMHTTXFNSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1CCCCC1 ZINC001328268360 1388706039 /nfs/dbraw/zinc/70/60/39/1388706039.db2.gz SGOYHZDEUYGOCQ-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1CCCCC1 ZINC001328268362 1388706334 /nfs/dbraw/zinc/70/63/34/1388706334.db2.gz SGOYHZDEUYGOCQ-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCc1cccc(C(=O)Nc2ccccc2C[NH+](C)C)c1 ZINC001159494439 1381807411 /nfs/dbraw/zinc/80/74/11/1381807411.db2.gz GQLUHIDRTOYWEU-UHFFFAOYSA-N 2 0 325.456 3.105 10 0 EGAERP CCOc1ccc(C[N@H+](C)Cc2cccc3c2CC[NH2+]C3)cc1OC ZINC001328435942 1388745639 /nfs/dbraw/zinc/74/56/39/1388745639.db2.gz FCBORVKOBHOZEL-UHFFFAOYSA-N 2 0 340.467 3.372 10 0 EGAERP CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001328812599 1388879367 /nfs/dbraw/zinc/87/93/67/1388879367.db2.gz PDRCNQZAEZQHNE-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)cs2)CC1 ZINC001307421307 1383986985 /nfs/dbraw/zinc/98/69/85/1383986985.db2.gz SIANNPCHKMHBSO-UHFFFAOYSA-N 2 0 338.517 3.479 10 0 EGAERP O[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC[NH+]1CCC(Cc3ccccc3)CC1)C2 ZINC001307972507 1384066745 /nfs/dbraw/zinc/06/67/45/1384066745.db2.gz RBKGCHDYOWIYQV-BHIFYINESA-N 2 0 342.527 3.176 10 0 EGAERP Cc1ccccc1OCCC[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308040600 1384079572 /nfs/dbraw/zinc/07/95/72/1384079572.db2.gz LVHSQHJNSSXISK-GOSISDBHSA-N 2 0 325.456 3.370 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001316667055 1384512249 /nfs/dbraw/zinc/51/22/49/1384512249.db2.gz OGEAUHRIYNTVBX-CEXWTWQISA-N 2 0 345.531 3.271 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)[NH+](CC)CC ZINC001316772181 1384570699 /nfs/dbraw/zinc/57/06/99/1384570699.db2.gz IKXHDXXNSLHRTN-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001316807010 1384599441 /nfs/dbraw/zinc/59/94/41/1384599441.db2.gz RLHNPMKNBOXWFV-CFQKCQFKSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)[NH+](C)C ZINC001316811620 1384609697 /nfs/dbraw/zinc/60/96/97/1384609697.db2.gz NPYOUZHHYHLLQT-OALUTQOASA-N 2 0 345.531 3.134 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c(C)c1 ZINC001316868821 1384654599 /nfs/dbraw/zinc/65/45/99/1384654599.db2.gz AAWLEZYURSVJLD-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001316997142 1384753879 /nfs/dbraw/zinc/75/38/79/1384753879.db2.gz CKNBVPBXZXMSRZ-QZTJIDSGSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317038749 1384810260 /nfs/dbraw/zinc/81/02/60/1384810260.db2.gz LHTMHJSPFGZYIG-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317070193 1384839193 /nfs/dbraw/zinc/83/91/93/1384839193.db2.gz ZCGXCTUWDINPJU-DSQZMVHQSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001317157505 1384921402 /nfs/dbraw/zinc/92/14/02/1384921402.db2.gz JFFHSBYBGCIOGQ-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001317157930 1384921735 /nfs/dbraw/zinc/92/17/35/1384921735.db2.gz MZQCNRVBYBIFHU-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCCC(C)(C)C)C1 ZINC001317176173 1384948237 /nfs/dbraw/zinc/94/82/37/1384948237.db2.gz KLQDYEVMUVRLAM-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001317191340 1384965469 /nfs/dbraw/zinc/96/54/69/1384965469.db2.gz DJQLUTOESGQIDC-WOJBJXKFSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001317199696 1384974127 /nfs/dbraw/zinc/97/41/27/1384974127.db2.gz MXHZCEQLDLZJQY-LJQANCHMSA-N 2 0 331.504 3.133 10 0 EGAERP C[C@H](F)CC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001317222904 1385003584 /nfs/dbraw/zinc/00/35/84/1385003584.db2.gz JBGSAUAAHPNSQM-MNNVXMFVSA-N 2 0 349.494 3.127 10 0 EGAERP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001317247094 1385019726 /nfs/dbraw/zinc/01/97/26/1385019726.db2.gz ZJTIWQIQXJUTTQ-CQSZACIVSA-N 2 0 349.544 3.098 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CC/C=C\c1ccccc1 ZINC001317294816 1385066960 /nfs/dbraw/zinc/06/69/60/1385066960.db2.gz RLBQNJPUQKXETP-OTKCHZASSA-N 2 0 343.515 3.059 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317351003 1385100388 /nfs/dbraw/zinc/10/03/88/1385100388.db2.gz NRQGDIGIZSFKBD-XXCOWLKOSA-N 2 0 335.536 3.234 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317357549 1385102744 /nfs/dbraw/zinc/10/27/44/1385102744.db2.gz KNMNLYVRQSGDRA-OALUTQOASA-N 2 0 349.563 3.460 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]CC2CCC3(CC3)CC2)CC[N@@H+]1C ZINC001317393219 1385111841 /nfs/dbraw/zinc/11/18/41/1385111841.db2.gz OSFZTOTUMVLYPH-YTQUADARSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317424107 1385130686 /nfs/dbraw/zinc/13/06/86/1385130686.db2.gz QNXURXMABBPHEP-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317507002 1385214426 /nfs/dbraw/zinc/21/44/26/1385214426.db2.gz AYBVNYDDZFZJBO-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317525110 1385245267 /nfs/dbraw/zinc/24/52/67/1385245267.db2.gz DETJESUZXCKUNL-HMECNJMJSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723335 1385423755 /nfs/dbraw/zinc/42/37/55/1385423755.db2.gz GBEWVQNYTIGTQK-PMACEKPBSA-N 2 0 343.515 3.106 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001317771990 1385464347 /nfs/dbraw/zinc/46/43/47/1385464347.db2.gz IVKVPFGATMXXNZ-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c(C)c1 ZINC001329144170 1388988071 /nfs/dbraw/zinc/98/80/71/1388988071.db2.gz AIWPGNHMIBXNQF-QZTJIDSGSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317988624 1385602839 /nfs/dbraw/zinc/60/28/39/1385602839.db2.gz YTMNXWZLZWGBPM-MJGOQNOKSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC(C)(C)C ZINC001318214446 1385629703 /nfs/dbraw/zinc/62/97/03/1385629703.db2.gz FTYPOZKNMRBFNJ-FHWLQOOXSA-N 2 0 349.563 3.361 10 0 EGAERP Cc1ccc(CCC[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001176879907 1385730149 /nfs/dbraw/zinc/73/01/49/1385730149.db2.gz QUHCZRQUSGRPOF-UHFFFAOYSA-N 2 0 330.516 3.240 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001318938365 1385888482 /nfs/dbraw/zinc/88/84/82/1385888482.db2.gz UADAROYDHRYZTK-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)CC1 ZINC001319102260 1385961232 /nfs/dbraw/zinc/96/12/32/1385961232.db2.gz QFQHIMHSUOOLQL-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319132416 1385970769 /nfs/dbraw/zinc/97/07/69/1385970769.db2.gz LLHSVWVGORPHFM-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001319362502 1386079803 /nfs/dbraw/zinc/07/98/03/1386079803.db2.gz VHJSOJNLYASUHQ-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP CC[C@@H](C)C[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001319413038 1386110376 /nfs/dbraw/zinc/11/03/76/1386110376.db2.gz WMNWRYNEGACWQU-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001319512939 1386154456 /nfs/dbraw/zinc/15/44/56/1386154456.db2.gz XKGJDTGKEVDJKO-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001319688239 1386252695 /nfs/dbraw/zinc/25/26/95/1386252695.db2.gz ATEVHBVPMZYSIF-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001698637070 1406283068 /nfs/dbraw/zinc/28/30/68/1406283068.db2.gz SCYNCLQMEJDIHD-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001319805593 1386305046 /nfs/dbraw/zinc/30/50/46/1386305046.db2.gz IGEXUZIPGQEBNY-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001319823179 1386317969 /nfs/dbraw/zinc/31/79/69/1386317969.db2.gz AIRZKNJORHTAFQ-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001319881872 1386357748 /nfs/dbraw/zinc/35/77/48/1386357748.db2.gz VAWMXIUGVZSMCS-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1=CCCCC1 ZINC001319942493 1386405036 /nfs/dbraw/zinc/40/50/36/1386405036.db2.gz BOMXIJKCZWRTJN-SFHVURJKSA-N 2 0 337.552 3.195 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001319942533 1386405244 /nfs/dbraw/zinc/40/52/44/1386405244.db2.gz CTIGHYOKKRXODG-LJQANCHMSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001319944470 1386407439 /nfs/dbraw/zinc/40/74/39/1386407439.db2.gz PAMGGHHMLJWZNE-SFHVURJKSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001698650106 1406300410 /nfs/dbraw/zinc/30/04/10/1406300410.db2.gz VNVNYFXJRCXHHA-TZIWHRDSSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001320113048 1386521204 /nfs/dbraw/zinc/52/12/04/1386521204.db2.gz FWFXXTYVIZROPL-UXHICEINSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCC2=CCCCC2)C1 ZINC001320117061 1386523779 /nfs/dbraw/zinc/52/37/79/1386523779.db2.gz WEVBVLIJCVJALN-WOJBJXKFSA-N 2 0 347.547 3.140 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCCC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001698658091 1406308848 /nfs/dbraw/zinc/30/88/48/1406308848.db2.gz BQBXPELPDDFJNH-DYESRHJHSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@]1(NC(=O)CC[NH+](C)C)CCCC[C@H]1C ZINC001698665084 1406316134 /nfs/dbraw/zinc/31/61/34/1406316134.db2.gz UEXLNLYTGVQIQP-NQIIRXRSSA-N 2 0 345.531 3.101 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCC1CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001321108746 1386811990 /nfs/dbraw/zinc/81/19/90/1386811990.db2.gz GMDIXAIJZKBCFX-KJBZUCPPSA-N 2 0 347.547 3.236 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001321394902 1386893277 /nfs/dbraw/zinc/89/32/77/1386893277.db2.gz YYTDBYUVGRPUPP-SCHIEPMMSA-N 2 0 349.563 3.053 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CC2=CCCCC2)C1 ZINC001322231184 1387112507 /nfs/dbraw/zinc/11/25/07/1387112507.db2.gz RDUXDSATGKWELF-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP CN(CCC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001322732339 1387231888 /nfs/dbraw/zinc/23/18/88/1387231888.db2.gz ZXLBLXCYVCMFIQ-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCCC1 ZINC001329761864 1389221027 /nfs/dbraw/zinc/22/10/27/1389221027.db2.gz PZJQIEFUXGDZQH-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1)C1CCC1 ZINC001329823904 1389231589 /nfs/dbraw/zinc/23/15/89/1389231589.db2.gz CNXIIVQUVAXXFH-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CCCC[C@H](C[NH2+]C/C=C/Cl)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001329888322 1389247002 /nfs/dbraw/zinc/24/70/02/1389247002.db2.gz VRNFFMWBEADQMC-FUVBFXSKSA-N 2 0 348.878 3.273 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001698722926 1406370333 /nfs/dbraw/zinc/37/03/33/1406370333.db2.gz MBGAJRZHZHELPL-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[N@H+](C)C[C@@H]1NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001330176521 1389327917 /nfs/dbraw/zinc/32/79/17/1389327917.db2.gz ZDKHATVJNPSMAS-XCDJFROHSA-N 2 0 327.516 3.112 10 0 EGAERP CO[C@@H](C(=O)Nc1c[nH+]ccc1-n1ccnc1C)C1CCCCC1 ZINC001330411141 1389405601 /nfs/dbraw/zinc/40/56/01/1389405601.db2.gz GMZDIOTWHJKCFL-QGZVFWFLSA-N 2 0 328.416 3.110 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001698727253 1406378432 /nfs/dbraw/zinc/37/84/32/1406378432.db2.gz YWNWOJJVZCARPC-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053782 1389611700 /nfs/dbraw/zinc/61/17/00/1389611700.db2.gz MSKWVOULUJWTHP-IEBWSBKVSA-N 2 0 337.552 3.218 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c(C)c1 ZINC001331470860 1389761734 /nfs/dbraw/zinc/76/17/34/1389761734.db2.gz SYYMCRHNSVSWMH-GOSISDBHSA-N 2 0 345.531 3.033 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CCC1CCCC1 ZINC001698747170 1406398169 /nfs/dbraw/zinc/39/81/69/1406398169.db2.gz AUZVZIYZHVBSDM-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC(C)C1 ZINC001331490610 1389768164 /nfs/dbraw/zinc/76/81/64/1389768164.db2.gz HBZSDFFEHVTPDK-AQFXKWCLSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001331576939 1389811180 /nfs/dbraw/zinc/81/11/80/1389811180.db2.gz YCRCPFQPLWEWGR-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1=CCCCC1 ZINC001331592889 1389817957 /nfs/dbraw/zinc/81/79/57/1389817957.db2.gz GJHJIMPQBWMBDG-KRWDZBQOSA-N 2 0 343.515 3.299 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651340 1389847927 /nfs/dbraw/zinc/84/79/27/1389847927.db2.gz XBQITSPPCSUNJS-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001332045900 1389955621 /nfs/dbraw/zinc/95/56/21/1389955621.db2.gz GJIHAFHSYOKVLY-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@H]12 ZINC001332089598 1389977046 /nfs/dbraw/zinc/97/70/46/1389977046.db2.gz KGKQQCUFOJPRER-CMKODMSKSA-N 2 0 335.536 3.163 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332108676 1389986897 /nfs/dbraw/zinc/98/68/97/1389986897.db2.gz COTAKUHYMXVHMT-PXODQFSGSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001332109312 1389987611 /nfs/dbraw/zinc/98/76/11/1389987611.db2.gz FYLSXBWLFZZJQQ-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001332162828 1390014140 /nfs/dbraw/zinc/01/41/40/1390014140.db2.gz XTDRWMMVBSHSHL-PDTMIUJASA-N 2 0 349.563 3.290 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001332183696 1390025922 /nfs/dbraw/zinc/02/59/22/1390025922.db2.gz FEUYHZDIQUXLKW-VQIMIIECSA-N 2 0 342.487 3.416 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332343538 1390092176 /nfs/dbraw/zinc/09/21/76/1390092176.db2.gz ZBYCTCLFBWYGQR-YLJYHZDGSA-N 2 0 345.531 3.282 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001332857466 1390202253 /nfs/dbraw/zinc/20/22/53/1390202253.db2.gz MNGKYUJRFXVCAZ-SJLPKXTDSA-N 2 0 337.552 3.029 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC1 ZINC001332872395 1390205396 /nfs/dbraw/zinc/20/53/96/1390205396.db2.gz ABOOPZOCBGXDPF-IBGZPJMESA-N 2 0 349.563 3.339 10 0 EGAERP C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001332941249 1390220762 /nfs/dbraw/zinc/22/07/62/1390220762.db2.gz TZNXVDURLDMZRZ-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001332997791 1390233555 /nfs/dbraw/zinc/23/35/55/1390233555.db2.gz LEMMDVDTJFGPCB-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCC2CC2)CCCC1 ZINC001698798286 1406470715 /nfs/dbraw/zinc/47/07/15/1406470715.db2.gz SVXGOLDSPBHGST-UHFFFAOYSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001698804485 1406484411 /nfs/dbraw/zinc/48/44/11/1406484411.db2.gz VIIAGMSBMAUDBX-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001348852900 1391275482 /nfs/dbraw/zinc/27/54/82/1391275482.db2.gz FUYWYLBHUGODKN-LPHOPBHVSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)n1ncc2c1[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)CCC2 ZINC001350135755 1391419350 /nfs/dbraw/zinc/41/93/50/1391419350.db2.gz JBGYSFZPCQMHCM-SFHVURJKSA-N 2 0 336.443 3.212 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001698829038 1406522342 /nfs/dbraw/zinc/52/23/42/1406522342.db2.gz RCQQKNQHMGKKRY-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001479487060 1392254328 /nfs/dbraw/zinc/25/43/28/1392254328.db2.gz QEUTVBZOACALMJ-OTWHNJEPSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@@H]21 ZINC001479614948 1392288918 /nfs/dbraw/zinc/28/89/18/1392288918.db2.gz UGZCFHHDRJEOII-GUDVDZBRSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001479694717 1392325655 /nfs/dbraw/zinc/32/56/55/1392325655.db2.gz RGJOCRGYGDPOKA-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)c(C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001479777243 1392382368 /nfs/dbraw/zinc/38/23/68/1392382368.db2.gz IBSOXUHOPYTJMS-FQEVSTJZSA-N 2 0 347.547 3.136 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001479963502 1392498946 /nfs/dbraw/zinc/49/89/46/1392498946.db2.gz IIFHOXBBNJTTNJ-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001479985332 1392517531 /nfs/dbraw/zinc/51/75/31/1392517531.db2.gz MQYRASXQRDRLMH-OALUTQOASA-N 2 0 347.547 3.188 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC(C)C)CC1 ZINC001479996639 1392528895 /nfs/dbraw/zinc/52/88/95/1392528895.db2.gz PJLKRBUDNSUQOO-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021288 1392538571 /nfs/dbraw/zinc/53/85/71/1392538571.db2.gz YTSVOGHRDBYKPP-PMACEKPBSA-N 2 0 347.547 3.234 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001480103575 1392586684 /nfs/dbraw/zinc/58/66/84/1392586684.db2.gz UMZLKEHPHVBTGU-HSALFYBXSA-N 2 0 343.515 3.153 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001480223312 1392626604 /nfs/dbraw/zinc/62/66/04/1392626604.db2.gz AABJQWNEXHMIHJ-QRQLOZEOSA-N 2 0 345.531 3.271 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001480266168 1392650079 /nfs/dbraw/zinc/65/00/79/1392650079.db2.gz QEQCAVRLZDYRRT-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480350113 1392699543 /nfs/dbraw/zinc/69/95/43/1392699543.db2.gz PQKPUQGGVNJFRG-DKFQHHCZSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001480359246 1392704464 /nfs/dbraw/zinc/70/44/64/1392704464.db2.gz KSVRBIZSWXROLG-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001480384825 1392729737 /nfs/dbraw/zinc/72/97/37/1392729737.db2.gz ATHAESMGZWEWPV-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480619371 1392823530 /nfs/dbraw/zinc/82/35/30/1392823530.db2.gz ULCDECNOHZCETK-PKOBYXMFSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480703110 1392866731 /nfs/dbraw/zinc/86/67/31/1392866731.db2.gz WDMCWUHYEQNZKU-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001480705247 1392868262 /nfs/dbraw/zinc/86/82/62/1392868262.db2.gz OLEDTUJHDZEOFX-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccccc1C[NH2+][C@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001480706421 1392869422 /nfs/dbraw/zinc/86/94/22/1392869422.db2.gz DIQROROCEBIBCK-PMACEKPBSA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)c1 ZINC001480833188 1392974497 /nfs/dbraw/zinc/97/44/97/1392974497.db2.gz OVBSTWLTXILVQF-FQEVSTJZSA-N 2 0 343.515 3.133 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CCCCC1 ZINC001481150544 1393135039 /nfs/dbraw/zinc/13/50/39/1393135039.db2.gz KKRYZAIIVCUEPM-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001481245588 1393152952 /nfs/dbraw/zinc/15/29/52/1393152952.db2.gz KPPZADZOAGPRQM-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001481341363 1393168089 /nfs/dbraw/zinc/16/80/89/1393168089.db2.gz GYUUYENRXBLCDD-MSOLQXFVSA-N 2 0 345.531 3.224 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001698900717 1406633939 /nfs/dbraw/zinc/63/39/39/1406633939.db2.gz UCDBLQXPMYCTSW-BUPXIBQPSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001490764392 1394326389 /nfs/dbraw/zinc/32/63/89/1394326389.db2.gz VMZBCYBSISZUEL-PXPVJAHISA-N 2 0 347.547 3.142 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC(C)C)C1 ZINC001481488776 1394333780 /nfs/dbraw/zinc/33/37/80/1394333780.db2.gz WNURTRSGJVEOQZ-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772478 1394334596 /nfs/dbraw/zinc/33/45/96/1394334596.db2.gz NNIHKZSZSFCUNG-AZUAARDMSA-N 2 0 345.531 3.260 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001481516242 1394365094 /nfs/dbraw/zinc/36/50/94/1394365094.db2.gz RVOHFLVBYJSFKR-UXHICEINSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)[NH+](C)C ZINC001490927813 1394376556 /nfs/dbraw/zinc/37/65/56/1394376556.db2.gz DCDXANBLAFNTKA-UFYCRDLUSA-N 2 0 343.515 3.031 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530409 1394386259 /nfs/dbraw/zinc/38/62/59/1394386259.db2.gz TXUROTJEQRAVKD-KPDZFXRVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001490980007 1394391247 /nfs/dbraw/zinc/39/12/47/1394391247.db2.gz AYYHHQXCZFYXAM-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)CC[C@H]21 ZINC001490981753 1394392148 /nfs/dbraw/zinc/39/21/48/1394392148.db2.gz JTZYAKQJTDBODM-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491218697 1394477120 /nfs/dbraw/zinc/47/71/20/1394477120.db2.gz JBDMAPFKVGGOJU-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001491235362 1394487790 /nfs/dbraw/zinc/48/77/90/1394487790.db2.gz DHBYDLXJIMKAQQ-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481768853 1394511885 /nfs/dbraw/zinc/51/18/85/1394511885.db2.gz SPTBOFGKLKOFSE-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001481781106 1394525788 /nfs/dbraw/zinc/52/57/88/1394525788.db2.gz AEKSPPACJITDRF-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCC3CCCCC3)CCCC2)CC[N@@H+]1C ZINC001481897164 1394584817 /nfs/dbraw/zinc/58/48/17/1394584817.db2.gz PWRPWTUNSCORMW-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001481941971 1394607966 /nfs/dbraw/zinc/60/79/66/1394607966.db2.gz YWVKKXLGDLOESV-DYESRHJHSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481960271 1394620861 /nfs/dbraw/zinc/62/08/61/1394620861.db2.gz GILWWRQUWFBRIQ-WIYYLYMNSA-N 2 0 349.563 3.483 10 0 EGAERP CC[C@H](C)C[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001482009065 1394668718 /nfs/dbraw/zinc/66/87/18/1394668718.db2.gz BXDZTZXNPGKCHB-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH2+]Cc1ccc(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001482032142 1394692400 /nfs/dbraw/zinc/69/24/00/1394692400.db2.gz NSGHWHRIYJUDTC-UHFFFAOYSA-N 2 0 345.531 3.454 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960351 1406713578 /nfs/dbraw/zinc/71/35/78/1406713578.db2.gz HGQIKLAPRBQHBD-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001482069442 1394732509 /nfs/dbraw/zinc/73/25/09/1394732509.db2.gz FSSOFBWBUMCEGJ-GOSISDBHSA-N 2 0 349.544 3.095 10 0 EGAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482325397 1394895422 /nfs/dbraw/zinc/89/54/22/1394895422.db2.gz WTHCGGAKGPOWEB-VQIMIIECSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001482370031 1394932041 /nfs/dbraw/zinc/93/20/41/1394932041.db2.gz RAOHHELWJOYALF-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)CC(C)C ZINC001482400000 1394960932 /nfs/dbraw/zinc/96/09/32/1394960932.db2.gz DIRRQUDFFHYXBC-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481570 1395035269 /nfs/dbraw/zinc/03/52/69/1395035269.db2.gz ZXYCAHAKVAVZRZ-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001482481646 1395035518 /nfs/dbraw/zinc/03/55/18/1395035518.db2.gz PAGSKPWYZCTBLK-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCCC3)C2)C1 ZINC001483840210 1395106759 /nfs/dbraw/zinc/10/67/59/1395106759.db2.gz AIHFBHDHRVXPEP-NRFANRHFSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001483843626 1395109724 /nfs/dbraw/zinc/10/97/24/1395109724.db2.gz WEMQTYWCMYZORK-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001483915550 1395142875 /nfs/dbraw/zinc/14/28/75/1395142875.db2.gz XPZCFGCKEIJHOR-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484062017 1395226060 /nfs/dbraw/zinc/22/60/60/1395226060.db2.gz ZPNYQFMDQHKXTA-ROUKRRSUSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072551 1395234523 /nfs/dbraw/zinc/23/45/23/1395234523.db2.gz WZKYJQMLQCQXPO-FBQMEGEOSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484124036 1395265292 /nfs/dbraw/zinc/26/52/92/1395265292.db2.gz FHXSNJGZPCMYSH-HXUWFJFHSA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484165967 1395304675 /nfs/dbraw/zinc/30/46/75/1395304675.db2.gz FDTPWCPGTOJKST-RJOJHWARSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001484397033 1395366417 /nfs/dbraw/zinc/36/64/17/1395366417.db2.gz YBAPLFRDPZNXGZ-WTGUMLROSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](C(=O)N(C)CCC[N@H+](C)CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001484761946 1395515402 /nfs/dbraw/zinc/51/54/02/1395515402.db2.gz ZFHOHGHTZYUVNT-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)CCCN(C)C(=O)C[N@@H+](C)C(C)C ZINC001484768835 1395525820 /nfs/dbraw/zinc/52/58/20/1395525820.db2.gz HVVMKRVBDDRKMA-SFHVURJKSA-N 2 0 333.520 3.177 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CC3=CCCCC3)C2)C1 ZINC001484830567 1395568747 /nfs/dbraw/zinc/56/87/47/1395568747.db2.gz MLIIUSMNOYTPMF-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001484977354 1395617099 /nfs/dbraw/zinc/61/70/99/1395617099.db2.gz IOERCOXXMFBLEC-ROUUACIJSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001485229231 1395723018 /nfs/dbraw/zinc/72/30/18/1395723018.db2.gz HQGLMVDFHAZKOZ-IAGOWNOFSA-N 2 0 333.520 3.133 10 0 EGAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CCC1=CCCCC1 ZINC001485387859 1395876108 /nfs/dbraw/zinc/87/61/08/1395876108.db2.gz JGDBTLAABKXDHF-GOSISDBHSA-N 2 0 335.536 3.189 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC001485480209 1395960300 /nfs/dbraw/zinc/96/03/00/1395960300.db2.gz RIPFEQGCYMCRAM-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001698997168 1406797382 /nfs/dbraw/zinc/79/73/82/1406797382.db2.gz SRALIPZZBFPVPB-HKUYNNGSSA-N 2 0 345.531 3.096 10 0 EGAERP C[C@@H](CCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001485736381 1396123820 /nfs/dbraw/zinc/12/38/20/1396123820.db2.gz OYFNKEGPVROCKD-HOTGVXAUSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)=CC[NH+](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001485764026 1396139556 /nfs/dbraw/zinc/13/95/56/1396139556.db2.gz JAXCHHKTNYLCFS-LJQANCHMSA-N 2 0 335.536 3.138 10 0 EGAERP CCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001486239435 1396187137 /nfs/dbraw/zinc/18/71/37/1396187137.db2.gz BIZUOJPDFZKQFN-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001501390013 1396192411 /nfs/dbraw/zinc/19/24/11/1396192411.db2.gz DZHSNSRZXBYOSA-GBESFXJTSA-N 2 0 349.563 3.218 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001503553260 1396259040 /nfs/dbraw/zinc/25/90/40/1396259040.db2.gz FMMDRTLQXOLDRC-INIZCTEOSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001492091578 1396303776 /nfs/dbraw/zinc/30/37/76/1396303776.db2.gz FAPRAPGTIFGFHN-AZUAARDMSA-N 2 0 345.531 3.242 10 0 EGAERP CCCCC[NH+]1CC(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494584621 1396477364 /nfs/dbraw/zinc/47/73/64/1396477364.db2.gz UCIBMAKSCRVOME-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001495817290 1396563954 /nfs/dbraw/zinc/56/39/54/1396563954.db2.gz YBTNLTWYKALCFH-GJZGRUSLSA-N 2 0 339.911 3.083 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496170046 1396618952 /nfs/dbraw/zinc/61/89/52/1396618952.db2.gz OOWWOBQLHVNTLW-ROUUACIJSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC2CCCCC2)C2CCCCC2)C1 ZINC001496326985 1396651713 /nfs/dbraw/zinc/65/17/13/1396651713.db2.gz RHXIQPBUTMPRIR-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001496350670 1396661084 /nfs/dbraw/zinc/66/10/84/1396661084.db2.gz KWDIJXWLXZROPX-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CCC(C)(C)C)[NH+]1CCCCC1 ZINC001699011307 1406842331 /nfs/dbraw/zinc/84/23/31/1406842331.db2.gz UWIIPIGPAVLAPR-GOSISDBHSA-N 2 0 339.568 3.323 10 0 EGAERP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001689124904 1396930385 /nfs/dbraw/zinc/93/03/85/1396930385.db2.gz HUYJDWGBFPXADX-QRVBRYPASA-N 2 0 337.552 3.266 10 0 EGAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001699021552 1406856136 /nfs/dbraw/zinc/85/61/36/1406856136.db2.gz LAYJEZGINOPYOC-RTBURBONSA-N 2 0 347.547 3.070 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)C ZINC001689146617 1396947436 /nfs/dbraw/zinc/94/74/36/1396947436.db2.gz LTGDOVKNYYMMQI-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCC(C)(C)C ZINC001689176985 1396959538 /nfs/dbraw/zinc/95/95/38/1396959538.db2.gz SROFAEYWVGMPHE-FGTMMUONSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H]1CC)[NH+](C)C ZINC001689188246 1396964694 /nfs/dbraw/zinc/96/46/94/1396964694.db2.gz NOZRTLNJBRGGOW-ZCNNSNEGSA-N 2 0 345.531 3.113 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C/C=C/c2ccccc2)[C@@H]1CC ZINC001689194248 1396967547 /nfs/dbraw/zinc/96/75/47/1396967547.db2.gz QCINEIBZXPXHKA-WQEUXLNQSA-N 2 0 343.515 3.011 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCC1 ZINC001689198121 1396968537 /nfs/dbraw/zinc/96/85/37/1396968537.db2.gz PZRGSUWFANBYGW-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001689267316 1396998467 /nfs/dbraw/zinc/99/84/67/1396998467.db2.gz HYZMFIWILUIIGP-VZSQWMKGSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490010 1397034924 /nfs/dbraw/zinc/03/49/24/1397034924.db2.gz XFXWRWDAYSJWCI-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC(C)(C)C1 ZINC001689362917 1403700251 /nfs/dbraw/zinc/70/02/51/1403700251.db2.gz JIYPNIJAVAURFG-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001689365841 1403706775 /nfs/dbraw/zinc/70/67/75/1403706775.db2.gz PPAHNLKLMFLZDU-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CCCCC1 ZINC001689939677 1404217922 /nfs/dbraw/zinc/21/79/22/1404217922.db2.gz ZQVALUQGAMNYOC-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@@H]1CC[NH+](C)C1)[C@H](C)c1cccc(F)c1 ZINC001689964887 1404230584 /nfs/dbraw/zinc/23/05/84/1404230584.db2.gz AGVOLVJSSXOJAG-SJORKVTESA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)(C(=O)NCCC[N@H+](CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001690000458 1404248100 /nfs/dbraw/zinc/24/81/00/1404248100.db2.gz DIEWAKFDDPNXRX-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690051571 1404284012 /nfs/dbraw/zinc/28/40/12/1404284012.db2.gz HJZCUGCUFXLRDR-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001690131801 1404327543 /nfs/dbraw/zinc/32/75/43/1404327543.db2.gz ZZYFBXDSEVODOB-PKOBYXMFSA-N 2 0 343.515 3.059 10 0 EGAERP CCCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001690137073 1404336031 /nfs/dbraw/zinc/33/60/31/1404336031.db2.gz ZPSVVLPRWQTCBT-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@H](NC(=O)CC[NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC001690288747 1404449988 /nfs/dbraw/zinc/44/99/88/1404449988.db2.gz ITTVXNHFHLUTEC-SNRMKQJTSA-N 2 0 345.531 3.234 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccc(C(C)(C)C)cc1 ZINC001690355683 1404490061 /nfs/dbraw/zinc/49/00/61/1404490061.db2.gz ITTVXNHFHLUTEC-ZYSHUDEJSA-N 2 0 345.531 3.234 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690394215 1404536890 /nfs/dbraw/zinc/53/68/90/1404536890.db2.gz VGOFCPXFGGFVHA-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690628824 1404663950 /nfs/dbraw/zinc/66/39/50/1404663950.db2.gz WDHFWJXOJUBGPC-MSOLQXFVSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001690650997 1404682685 /nfs/dbraw/zinc/68/26/85/1404682685.db2.gz WHGAPDWFTKDQTH-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001690784840 1404732394 /nfs/dbraw/zinc/73/23/94/1404732394.db2.gz NIOZTEOOOQCTCO-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001690846561 1404773873 /nfs/dbraw/zinc/77/38/73/1404773873.db2.gz KNXNGZQXBMNXMS-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP CCCc1ccc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001690968355 1404875524 /nfs/dbraw/zinc/87/55/24/1404875524.db2.gz SQKVGKLZOCGYCU-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1ccccc1)NC(=O)CC1CC[NH+](C)CC1 ZINC001725403552 1426048210 /nfs/dbraw/zinc/04/82/10/1426048210.db2.gz BUHREOKKPNCXFL-QZTJIDSGSA-N 2 0 345.531 3.354 10 0 EGAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691067913 1404994368 /nfs/dbraw/zinc/99/43/68/1404994368.db2.gz CLZLVVUUGGGUIM-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001691156434 1405090750 /nfs/dbraw/zinc/09/07/50/1405090750.db2.gz WALMAZYCHLVKAC-BZSNNMDCSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCC1CCCC1 ZINC001691188950 1405126995 /nfs/dbraw/zinc/12/69/95/1405126995.db2.gz KNHMMYXJHVFOFQ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001725741258 1426417200 /nfs/dbraw/zinc/41/72/00/1426417200.db2.gz AFQFQGFDTCGKTJ-QGZVFWFLSA-N 2 0 339.568 3.418 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001691365936 1405215338 /nfs/dbraw/zinc/21/53/38/1405215338.db2.gz SMUQKTPHPOEFDJ-FZEFPESISA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001691428058 1405262067 /nfs/dbraw/zinc/26/20/67/1405262067.db2.gz IKOVIMLQTDGORY-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691428509 1405262481 /nfs/dbraw/zinc/26/24/81/1405262481.db2.gz NZEKZRPJZBQIIL-BNCVPQAMSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001691623247 1405362396 /nfs/dbraw/zinc/36/23/96/1405362396.db2.gz PXUXAFPOJMRTEX-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001691622972 1405362553 /nfs/dbraw/zinc/36/25/53/1405362553.db2.gz GPJRDESZVFJBAH-QFBILLFUSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001691683601 1405418773 /nfs/dbraw/zinc/41/87/73/1405418773.db2.gz VCERCCPURJLFTF-QGZVFWFLSA-N 2 0 339.568 3.227 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCCCC1 ZINC001691688892 1405423256 /nfs/dbraw/zinc/42/32/56/1405423256.db2.gz LXXYJKHWZQWUTJ-HOJAQTOUSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001691733720 1405456200 /nfs/dbraw/zinc/45/62/00/1405456200.db2.gz SRPYOWVXXIGCIY-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001691733722 1405456204 /nfs/dbraw/zinc/45/62/04/1405456204.db2.gz SRPYOWVXXIGCIY-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001691765747 1405478932 /nfs/dbraw/zinc/47/89/32/1405478932.db2.gz WSGRNEGLQOHJMB-APWZRJJASA-N 2 0 331.504 3.131 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691793988 1405504485 /nfs/dbraw/zinc/50/44/85/1405504485.db2.gz LAOVAFOVCVKUFL-FQEVSTJZSA-N 2 0 345.531 3.331 10 0 EGAERP CCCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001691860782 1405579488 /nfs/dbraw/zinc/57/94/88/1405579488.db2.gz KLPWFXOSZAPVLE-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001691968629 1405685221 /nfs/dbraw/zinc/68/52/21/1405685221.db2.gz MEWTXIUPORQTKG-SFFCAUCYSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C/c1ccccc1 ZINC001692005004 1405722579 /nfs/dbraw/zinc/72/25/79/1405722579.db2.gz PFRPNYBQDBFZPW-IJQANDGASA-N 2 0 343.515 3.011 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001692012652 1405731530 /nfs/dbraw/zinc/73/15/30/1405731530.db2.gz IEMALARPSNZEPP-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001692086254 1405766967 /nfs/dbraw/zinc/76/69/67/1405766967.db2.gz QABGTICIXNTDGM-MSOLQXFVSA-N 2 0 339.568 3.227 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1cc(C)cc(C)c1 ZINC001692201802 1405840044 /nfs/dbraw/zinc/84/00/44/1405840044.db2.gz WYVBTLKVYWINIU-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692322430 1405941026 /nfs/dbraw/zinc/94/10/26/1405941026.db2.gz NCAMCVSVLJSBFF-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692322782 1405941155 /nfs/dbraw/zinc/94/11/55/1405941155.db2.gz SNKVAKGYMPIKPA-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCC[NH+]1CCCCC1 ZINC001692384727 1405990032 /nfs/dbraw/zinc/99/00/32/1405990032.db2.gz YMVUDWGPCIHXIR-PSCPARJHSA-N 2 0 347.547 3.284 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698569128 1406172828 /nfs/dbraw/zinc/17/28/28/1406172828.db2.gz KBYVJZMHMKMZEX-LPADLIQXSA-N 2 0 337.552 3.243 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698569909 1406173774 /nfs/dbraw/zinc/17/37/74/1406173774.db2.gz BKAPCRUUTUHJIZ-HCZHMGAMSA-N 2 0 343.515 3.251 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001698581818 1406193828 /nfs/dbraw/zinc/19/38/28/1406193828.db2.gz OLBBRWGTAWMTCI-AWTIPJNISA-N 2 0 335.536 3.138 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001698589175 1406210134 /nfs/dbraw/zinc/21/01/34/1406210134.db2.gz ZGYRMDSXBCYBLO-OALUTQOASA-N 2 0 335.536 3.140 10 0 EGAERP CCc1cccc(C[NH2+][C@H](CC)CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001698595863 1406220174 /nfs/dbraw/zinc/22/01/74/1406220174.db2.gz HFNHIAMCMJEODM-UXHICEINSA-N 2 0 345.531 3.106 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598800 1406223984 /nfs/dbraw/zinc/22/39/84/1406223984.db2.gz ZVQXRSCMTNADSF-UXHICEINSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC=C(C)C ZINC001698601307 1406226667 /nfs/dbraw/zinc/22/66/67/1406226667.db2.gz QKMBYJHHORGQJE-ZWKOTPCHSA-N 2 0 335.536 3.092 10 0 EGAERP C[NH+]1CCC(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC1 ZINC001732023012 1428240639 /nfs/dbraw/zinc/24/06/39/1428240639.db2.gz RUNACPQGXCMKRU-LJQANCHMSA-N 2 0 345.531 3.212 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)c1ccccc1 ZINC001732023490 1428240992 /nfs/dbraw/zinc/24/09/92/1428240992.db2.gz OHBGIIOTMIMLAU-VQTJNVASSA-N 2 0 343.515 3.251 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@H+](CC(C)C)C1 ZINC001732038506 1428262816 /nfs/dbraw/zinc/26/28/16/1428262816.db2.gz HNKGDQFTJPUNOH-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732058669 1428304907 /nfs/dbraw/zinc/30/49/07/1428304907.db2.gz IMSHQMLTGNLHHI-SFFCAUCYSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001732060942 1428309667 /nfs/dbraw/zinc/30/96/67/1428309667.db2.gz JGRWZAVESFKLAY-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001732067889 1428315799 /nfs/dbraw/zinc/31/57/99/1428315799.db2.gz BCQVWUKQUMLCTF-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH+]2CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001732118350 1428370554 /nfs/dbraw/zinc/37/05/54/1428370554.db2.gz DJUTUGSSXSHTKJ-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732161688 1428404738 /nfs/dbraw/zinc/40/47/38/1428404738.db2.gz DJZIRPIUYAFIKE-XFHJGTJQSA-N 2 0 340.471 3.145 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]1(C[NH2+]CCC(C)(C)C)CCCC[C@H]1C ZINC001732261887 1428502245 /nfs/dbraw/zinc/50/22/45/1428502245.db2.gz OZNAEWVPIRRYRY-XLIONFOSSA-N 2 0 339.568 3.419 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001732282800 1428513478 /nfs/dbraw/zinc/51/34/78/1428513478.db2.gz VUSQVAWAAAKYAZ-MOPGFXCFSA-N 2 0 337.552 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccsc2)CC1 ZINC001732311224 1428524368 /nfs/dbraw/zinc/52/43/68/1428524368.db2.gz WJOGIUREEMMJJT-BZSNNMDCSA-N 2 0 349.544 3.140 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001732317511 1428528230 /nfs/dbraw/zinc/52/82/30/1428528230.db2.gz KQTPGHIYFLVVAG-UHFFFAOYSA-N 2 0 343.515 3.233 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001732331725 1428537737 /nfs/dbraw/zinc/53/77/37/1428537737.db2.gz RTIPQQWHXWFKDO-BQYQJAHWSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001732325477 1428534046 /nfs/dbraw/zinc/53/40/46/1428534046.db2.gz TUXFFJQHPZFRRT-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001732395339 1428562993 /nfs/dbraw/zinc/56/29/93/1428562993.db2.gz NOKCWKUZLVUKNV-IBGZPJMESA-N 2 0 343.515 3.034 10 0 EGAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001732396099 1428563470 /nfs/dbraw/zinc/56/34/70/1428563470.db2.gz GRZORSWZCRGAOM-SJORKVTESA-N 2 0 341.515 3.016 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732400395 1428566353 /nfs/dbraw/zinc/56/63/53/1428566353.db2.gz RCYGEPLKSLKODY-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001732424254 1428575524 /nfs/dbraw/zinc/57/55/24/1428575524.db2.gz DJHOYFZFDCTDEU-QZTJIDSGSA-N 2 0 345.531 3.285 10 0 EGAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433538 1428578792 /nfs/dbraw/zinc/57/87/92/1428578792.db2.gz PTAUFHWQJPHFAA-ADYSOMBNSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732474200 1428600961 /nfs/dbraw/zinc/60/09/61/1428600961.db2.gz YQQHTDPJBYFIBD-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCCCC1 ZINC001732478380 1428604355 /nfs/dbraw/zinc/60/43/55/1428604355.db2.gz UHLWIBGUIZIBNK-YLJYHZDGSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732534590 1428655281 /nfs/dbraw/zinc/65/52/81/1428655281.db2.gz XWGPKSISGZTGCI-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001699101849 1412510953 /nfs/dbraw/zinc/51/09/53/1412510953.db2.gz YFGDDVKFLUHART-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699105096 1412512419 /nfs/dbraw/zinc/51/24/19/1412512419.db2.gz BPEANODUIUOQJW-FUHWJXTLSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699147325 1412535331 /nfs/dbraw/zinc/53/53/31/1412535331.db2.gz PWOFNLGWLZJMTB-IEBWSBKVSA-N 2 0 337.552 3.173 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188929 1412561971 /nfs/dbraw/zinc/56/19/71/1412561971.db2.gz USKFGIAEFUGFOW-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699197962 1412567765 /nfs/dbraw/zinc/56/77/65/1412567765.db2.gz SWKUALKNXOFGFM-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001699294650 1412620588 /nfs/dbraw/zinc/62/05/88/1412620588.db2.gz BNLMEPQCKXEWDP-XHPSBEMXSA-N 2 0 349.906 3.005 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CCC1CCCCC1 ZINC001699343510 1412652468 /nfs/dbraw/zinc/65/24/68/1412652468.db2.gz CVGZFMTVTLWIHX-XXCOWLKOSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483316 1412878405 /nfs/dbraw/zinc/87/84/05/1412878405.db2.gz NISRWYJOXDPVMS-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699525448 1412905475 /nfs/dbraw/zinc/90/54/75/1412905475.db2.gz CZWRXSZURVEWEH-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H]([NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001699539957 1412913774 /nfs/dbraw/zinc/91/37/74/1412913774.db2.gz YWGBESBLPFHKPY-HXUWFJFHSA-N 2 0 345.531 3.308 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001699554072 1412921905 /nfs/dbraw/zinc/92/19/05/1412921905.db2.gz JYJZTGKFLYBWAO-QGZVFWFLSA-N 2 0 349.494 3.201 10 0 EGAERP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCC(C)C ZINC001699608717 1412972850 /nfs/dbraw/zinc/97/28/50/1412972850.db2.gz WSBXUTRQBDSGGI-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CC1 ZINC001699664926 1413050928 /nfs/dbraw/zinc/05/09/28/1413050928.db2.gz YVHQOXFZFJQIFE-IBGZPJMESA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699679068 1413074012 /nfs/dbraw/zinc/07/40/12/1413074012.db2.gz XHTUOUWNDUCDEF-YQQQUEKLSA-N 2 0 349.563 3.409 10 0 EGAERP CCCCC[N@H+](CC1CC1)C1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001699690102 1413093648 /nfs/dbraw/zinc/09/36/48/1413093648.db2.gz ZYQXCWMTKQRAOF-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@]3(CCN(C(=O)CCCC[NH+](C)C)C3)C2)C1 ZINC001699696269 1413106131 /nfs/dbraw/zinc/10/61/31/1413106131.db2.gz CXFQDEQPMVELKF-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001699697922 1413109136 /nfs/dbraw/zinc/10/91/36/1413109136.db2.gz VNRPMCDYVPXKLT-QQUYBBDPSA-N 2 0 349.563 3.389 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001699700452 1413113717 /nfs/dbraw/zinc/11/37/17/1413113717.db2.gz QBFOLCWXZWFTPO-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001732543415 1428703937 /nfs/dbraw/zinc/70/39/37/1428703937.db2.gz KUWSSAMGAVDMFB-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001699806843 1413221355 /nfs/dbraw/zinc/22/13/55/1413221355.db2.gz UOMVPAHHAVACGV-VKUXZERMSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2(C)CC[NH+](CC3CCCC3)CC2)CC[N@@H+]1C ZINC001699865472 1413302467 /nfs/dbraw/zinc/30/24/67/1413302467.db2.gz OWKTZMMRPLLNCE-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@@]2(C)CCC[NH+](CC3CCCC3)C2)CC[N@@H+]1C ZINC001699874381 1413327222 /nfs/dbraw/zinc/32/72/22/1413327222.db2.gz OERFSJJJQNWXDU-HFSMHLIXSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCCC2)C1 ZINC001699879421 1413344162 /nfs/dbraw/zinc/34/41/62/1413344162.db2.gz OLYSWWUEHFZLSJ-HXUWFJFHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1CC ZINC001699930267 1413371730 /nfs/dbraw/zinc/37/17/30/1413371730.db2.gz IZOLOAQMKMWACO-FQEVSTJZSA-N 2 0 345.531 3.138 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699985682 1413432643 /nfs/dbraw/zinc/43/26/43/1413432643.db2.gz VVDQEPHDVDIJCX-IBGZPJMESA-N 2 0 345.531 3.279 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCCC1CCCC1 ZINC001700014491 1413458739 /nfs/dbraw/zinc/45/87/39/1413458739.db2.gz VDLJBUZUSHDBDI-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001732551041 1428734532 /nfs/dbraw/zinc/73/45/32/1428734532.db2.gz PUABEURYBUWWGQ-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001700076259 1413490444 /nfs/dbraw/zinc/49/04/44/1413490444.db2.gz BDKTXHANBUHKQE-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001700105845 1413524681 /nfs/dbraw/zinc/52/46/81/1413524681.db2.gz MVNXVLYMFKZJAS-ZMBJWTFHSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)CC1 ZINC001700109308 1413528932 /nfs/dbraw/zinc/52/89/32/1413528932.db2.gz GIXUMUZJUZQQDL-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC001700179904 1413591397 /nfs/dbraw/zinc/59/13/97/1413591397.db2.gz VESCYLULGMYOSY-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700289640 1413739403 /nfs/dbraw/zinc/73/94/03/1413739403.db2.gz TZIBVQAXTYLOMW-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001700291356 1413744217 /nfs/dbraw/zinc/74/42/17/1413744217.db2.gz HHDGEUVQTFBTGA-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001700293637 1413751180 /nfs/dbraw/zinc/75/11/80/1413751180.db2.gz UPVZUPJWNDEDJY-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001700345908 1413833084 /nfs/dbraw/zinc/83/30/84/1413833084.db2.gz QIOGZSNSDIORJU-JTPHSUOKSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC1CCC1 ZINC001700354027 1413852650 /nfs/dbraw/zinc/85/26/50/1413852650.db2.gz SWAQQMVVYNRTSS-VQTJNVASSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700356553 1413858678 /nfs/dbraw/zinc/85/86/78/1413858678.db2.gz IHRJYCJVSZKVPY-RTBURBONSA-N 2 0 349.494 3.151 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001700406035 1413943691 /nfs/dbraw/zinc/94/36/91/1413943691.db2.gz VQCOJEKOSSPJTB-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001700418305 1413965121 /nfs/dbraw/zinc/96/51/21/1413965121.db2.gz ROFLHEGPEDBUOP-ZWKOTPCHSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001700418304 1413965342 /nfs/dbraw/zinc/96/53/42/1413965342.db2.gz ROFLHEGPEDBUOP-ROUUACIJSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001700418863 1413966194 /nfs/dbraw/zinc/96/61/94/1413966194.db2.gz UWWWPDKGIZENDC-DLBZAZTESA-N 2 0 337.552 3.338 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001700437133 1414005164 /nfs/dbraw/zinc/00/51/64/1414005164.db2.gz DKPCYSJHZLGKEC-SOAGJPPSSA-N 2 0 345.531 3.194 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001700437451 1414006649 /nfs/dbraw/zinc/00/66/49/1414006649.db2.gz KYWHNJLPWOOBCJ-CTWPCTMYSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001700445435 1414020701 /nfs/dbraw/zinc/02/07/01/1414020701.db2.gz NVJXOPWEVIYERT-QGZVFWFLSA-N 2 0 333.520 3.082 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@H](C)CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001700482609 1414122198 /nfs/dbraw/zinc/12/21/98/1414122198.db2.gz BIVIIOZYIUHEAP-IEBWSBKVSA-N 2 0 345.531 3.088 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001700501473 1414149438 /nfs/dbraw/zinc/14/94/38/1414149438.db2.gz CTLVPDRXMITEJQ-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC(C[NH2+]CC2(NC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCCCC2)C1 ZINC001700512862 1414162352 /nfs/dbraw/zinc/16/23/52/1414162352.db2.gz MDIIYVSRGCEAHV-JEVOJNTISA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001700515771 1414167199 /nfs/dbraw/zinc/16/71/99/1414167199.db2.gz LFJVREYMUDJOMR-PLNGDYQASA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001700570121 1414239121 /nfs/dbraw/zinc/23/91/21/1414239121.db2.gz COYKFLCPDUGUCG-QZTJIDSGSA-N 2 0 337.552 3.122 10 0 EGAERP CCC(CC)C[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001700621324 1414291900 /nfs/dbraw/zinc/29/19/00/1414291900.db2.gz RAMZBVVEVQPNIT-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001700645705 1414311068 /nfs/dbraw/zinc/31/10/68/1414311068.db2.gz LTXHIQCWKJHOGF-KZNAEPCWSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC001700662770 1414321673 /nfs/dbraw/zinc/32/16/73/1414321673.db2.gz XAWIGJUHAZKOBE-QWFCFKBJSA-N 2 0 345.531 3.018 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700697197 1414355136 /nfs/dbraw/zinc/35/51/36/1414355136.db2.gz UKYFHNIBKPJGGI-UHFFFAOYSA-N 2 0 325.541 3.077 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001700755338 1414426059 /nfs/dbraw/zinc/42/60/59/1414426059.db2.gz KEZZJGQRJGUJEY-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(F)c1 ZINC001700767758 1414443813 /nfs/dbraw/zinc/44/38/13/1414443813.db2.gz LBJVTRXIWTXHAS-QFBILLFUSA-N 2 0 349.494 3.025 10 0 EGAERP C[C@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)[NH2+]CC1CCCC1 ZINC001700770997 1414448465 /nfs/dbraw/zinc/44/84/65/1414448465.db2.gz RFVQTKNOTGVUIK-QGZVFWFLSA-N 2 0 345.531 3.031 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001700863883 1414514390 /nfs/dbraw/zinc/51/43/90/1414514390.db2.gz CWVHEPNNJKUKKA-OPYAIIAOSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@@H]21 ZINC001700872557 1414526096 /nfs/dbraw/zinc/52/60/96/1414526096.db2.gz GFACNGIHSNIWMD-SLFFLAALSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001700886776 1414544854 /nfs/dbraw/zinc/54/48/54/1414544854.db2.gz FESZZMRMIZJEOP-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)[C@H]1C ZINC001700889894 1414549132 /nfs/dbraw/zinc/54/91/32/1414549132.db2.gz UMVOENOHFIVTQL-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913431 1414566452 /nfs/dbraw/zinc/56/64/52/1414566452.db2.gz UAVCOZIAKXNMAI-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001700914396 1414567438 /nfs/dbraw/zinc/56/74/38/1414567438.db2.gz XKXYAVMVWYVLJL-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]C/C=C\Cl)C(C)(C)C ZINC001700996102 1414645039 /nfs/dbraw/zinc/64/50/39/1414645039.db2.gz NCXKHRIJIBDUEO-GPPWAPFKSA-N 2 0 343.943 3.122 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001701001576 1414654488 /nfs/dbraw/zinc/65/44/88/1414654488.db2.gz SFKVRENSFJIXQF-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001701001863 1414655722 /nfs/dbraw/zinc/65/57/22/1414655722.db2.gz UKXNFBNGZQMQRI-MOPGFXCFSA-N 2 0 345.531 3.182 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001701020358 1414680876 /nfs/dbraw/zinc/68/08/76/1414680876.db2.gz HIQJNACCWKNMDI-KLHKWILBSA-N 2 0 337.552 3.265 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001701031657 1414694928 /nfs/dbraw/zinc/69/49/28/1414694928.db2.gz SXELUIFDOZARKT-DAWZGUTISA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[NH+]1CCC(C2(NC(=O)C34CC[NH+](CC3)C4)CC2)CC1 ZINC001701032941 1414697007 /nfs/dbraw/zinc/69/70/07/1414697007.db2.gz RWTHIPRMCJHMLQ-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP C[N@H+](CC(=O)NCC1=CC[NH+](CC2=CCCCC2)CC1)CC(C)(C)C ZINC001701057554 1414713819 /nfs/dbraw/zinc/71/38/19/1414713819.db2.gz JCGNOHVYANYQHU-UHFFFAOYSA-N 2 0 347.547 3.213 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001701059554 1414716001 /nfs/dbraw/zinc/71/60/01/1414716001.db2.gz GADXFXXCOPBYGM-GOSISDBHSA-N 2 0 343.515 3.146 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732803040 1428981901 /nfs/dbraw/zinc/98/19/01/1428981901.db2.gz UICQEDPDYKXJGA-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CC2CCCCCC2)C1 ZINC001732890557 1429029579 /nfs/dbraw/zinc/02/95/79/1429029579.db2.gz FTHNXUNNBBZDJM-AQWUKCDYSA-N 2 0 349.563 3.341 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001707197372 1417240468 /nfs/dbraw/zinc/24/04/68/1417240468.db2.gz JXILXRLKDIRUOH-PCUMXMLJSA-N 2 0 349.563 3.432 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1C/C=C/c1ccccc1 ZINC001707207144 1417245360 /nfs/dbraw/zinc/24/53/60/1417245360.db2.gz ZOUUHZQSQANOOS-WQEUXLNQSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCC(C)(C)C)C2)CC[N@@H+]1C ZINC001707235330 1417255812 /nfs/dbraw/zinc/25/58/12/1417255812.db2.gz CRAMIIBTXBBKLM-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]CC2CCC2)C1)CC(C)(C)C ZINC001707237211 1417257834 /nfs/dbraw/zinc/25/78/34/1417257834.db2.gz GZXLMASNPCOWOP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707277030 1417284500 /nfs/dbraw/zinc/28/45/00/1417284500.db2.gz UGGGDBOQIKFJOZ-IBGZPJMESA-N 2 0 337.552 3.366 10 0 EGAERP CC1(C)CC(C[N@H+](CCCNC(=O)C23CCC[NH+]2CCC3)C2CC2)C1 ZINC001707483839 1417378981 /nfs/dbraw/zinc/37/89/81/1417378981.db2.gz APJDNCRRBGPZJA-UHFFFAOYSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)(C)C ZINC001712972293 1417526174 /nfs/dbraw/zinc/52/61/74/1417526174.db2.gz SJNHWOIEGMTZNP-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001713002432 1417556352 /nfs/dbraw/zinc/55/63/52/1417556352.db2.gz LACMZJIQVPVTAW-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)Cc1ccccc1 ZINC001713016418 1417569183 /nfs/dbraw/zinc/56/91/83/1417569183.db2.gz YMURYSBXKXZJRK-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)[C@@H](C)c1cccc(C)c1 ZINC001713016052 1417569758 /nfs/dbraw/zinc/56/97/58/1417569758.db2.gz NACAFQHIUSVMNF-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](C(C)C)CC[C@@H]21 ZINC001713182509 1417756899 /nfs/dbraw/zinc/75/68/99/1417756899.db2.gz OGGMSIPEKKBRDR-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713220198 1417800594 /nfs/dbraw/zinc/80/05/94/1417800594.db2.gz GVLTYQOPSUXEAB-ZEVQVBBLSA-N 2 0 337.552 3.149 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713240744 1417826800 /nfs/dbraw/zinc/82/68/00/1417826800.db2.gz PFPORWBQAKDJDK-UVEXCMSLSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C[NH2+]C2CCC(NC(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001713294110 1417921350 /nfs/dbraw/zinc/92/13/50/1417921350.db2.gz WQSOCOVKKHWGJZ-UHFFFAOYSA-N 2 0 345.531 3.161 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001713316686 1417942277 /nfs/dbraw/zinc/94/22/77/1417942277.db2.gz WYYYVLNYPWOZHX-RBUKOAKNSA-N 2 0 345.531 3.081 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001713331232 1417955120 /nfs/dbraw/zinc/95/51/20/1417955120.db2.gz JPEKAAJKRPOKLX-FXAWDEMLSA-N 2 0 343.515 3.078 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713356748 1417973407 /nfs/dbraw/zinc/97/34/07/1417973407.db2.gz KLYOYPLXGRLUDP-OJBOGMDESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001713357667 1417974041 /nfs/dbraw/zinc/97/40/41/1417974041.db2.gz YPVLACCNHHOPQS-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713363882 1417977478 /nfs/dbraw/zinc/97/74/78/1417977478.db2.gz DWKPIVDNOBGLEX-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713375956 1417985903 /nfs/dbraw/zinc/98/59/03/1417985903.db2.gz YGUDWIUFGLJMJF-QZTJIDSGSA-N 2 0 335.536 3.212 10 0 EGAERP CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733076181 1429231009 /nfs/dbraw/zinc/23/10/09/1429231009.db2.gz NWXPIVZHUCQSCQ-FUHWJXTLSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CCC(C)C)CC[N@@H+]1C ZINC001713431538 1418059284 /nfs/dbraw/zinc/05/92/84/1418059284.db2.gz KQYIPLXBJYAOLO-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CC1 ZINC001713433238 1418062881 /nfs/dbraw/zinc/06/28/81/1418062881.db2.gz UGSOQOQSOXDYFI-QGZVFWFLSA-N 2 0 349.544 3.194 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001733109871 1429246121 /nfs/dbraw/zinc/24/61/21/1429246121.db2.gz KTDZZFVHNTWYRO-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713538308 1418293608 /nfs/dbraw/zinc/29/36/08/1418293608.db2.gz IOPKLCVAQZJWPK-WYNBNGFRSA-N 2 0 335.536 3.044 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733130845 1429255307 /nfs/dbraw/zinc/25/53/07/1429255307.db2.gz KZMKOMVOOXZFKT-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001713641688 1418408210 /nfs/dbraw/zinc/40/82/10/1418408210.db2.gz VDAFRRMYQPAIBE-GOSISDBHSA-N 2 0 345.531 3.062 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC([C@H](C)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001713682894 1418435017 /nfs/dbraw/zinc/43/50/17/1418435017.db2.gz LCHNRTJDVZXXHQ-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001713684115 1418436856 /nfs/dbraw/zinc/43/68/56/1418436856.db2.gz HOHCDPSGVZQCLX-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](CCCNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001713695414 1418449297 /nfs/dbraw/zinc/44/92/97/1418449297.db2.gz UTDOTGJYMHQNGR-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001713716837 1418482569 /nfs/dbraw/zinc/48/25/69/1418482569.db2.gz XYPKTMTWTVWSLK-YZGWKJHDSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCC[C@@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001713728698 1418510664 /nfs/dbraw/zinc/51/06/64/1418510664.db2.gz QZPCCPGUXXCOEB-MISYRCLQSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713759171 1418566056 /nfs/dbraw/zinc/56/60/56/1418566056.db2.gz XKCZZKIWDOEVNG-LJQANCHMSA-N 2 0 343.515 3.108 10 0 EGAERP CN(C(=O)CCC[NH+](C)C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001713782566 1418598537 /nfs/dbraw/zinc/59/85/37/1418598537.db2.gz RYEHZPBAJICTMI-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713988683 1418766023 /nfs/dbraw/zinc/76/60/23/1418766023.db2.gz FPBPWVYCMZKNFH-SOPRIAQXSA-N 2 0 347.547 3.377 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713989196 1418766402 /nfs/dbraw/zinc/76/64/02/1418766402.db2.gz QINKJSCOJXPGSK-SCTDSRPQSA-N 2 0 335.536 3.211 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713989197 1418766702 /nfs/dbraw/zinc/76/67/02/1418766702.db2.gz QINKJSCOJXPGSK-ZIFCJYIRSA-N 2 0 335.536 3.211 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001713992914 1418772003 /nfs/dbraw/zinc/77/20/03/1418772003.db2.gz CNPGOSJFQDHPQC-XDNAFOTISA-N 2 0 335.536 3.066 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001714003084 1418782261 /nfs/dbraw/zinc/78/22/61/1418782261.db2.gz AGAGZAJXBPOJTH-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC1CCCC1 ZINC001714082436 1418876618 /nfs/dbraw/zinc/87/66/18/1418876618.db2.gz MXUPCDZVPRUQCH-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092611 1418886581 /nfs/dbraw/zinc/88/65/81/1418886581.db2.gz AVTYWMYHOJYKJL-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714093988 1418887731 /nfs/dbraw/zinc/88/77/31/1418887731.db2.gz UNUMZQQPKMEKHV-IBGZPJMESA-N 2 0 343.515 3.156 10 0 EGAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1c(C)c(C)c(C)c(C)c1C ZINC001714099151 1418895125 /nfs/dbraw/zinc/89/51/25/1418895125.db2.gz UUUMYOSRXCJXFT-LJQANCHMSA-N 2 0 347.547 3.165 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001714104746 1418903742 /nfs/dbraw/zinc/90/37/42/1418903742.db2.gz UJZPJLYKNBEWNH-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001714114971 1418917136 /nfs/dbraw/zinc/91/71/36/1418917136.db2.gz KMFPGJDQPRNLML-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001714124707 1418929167 /nfs/dbraw/zinc/92/91/67/1418929167.db2.gz GDPMOIVXVCACIQ-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP O=C(N1CCCC[C@@H]1C[NH2+]CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001714129659 1418933369 /nfs/dbraw/zinc/93/33/69/1418933369.db2.gz AJDTYXQWAPKWAB-LJQANCHMSA-N 2 0 347.547 3.166 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714129645 1418933443 /nfs/dbraw/zinc/93/34/43/1418933443.db2.gz PJRZTBUPCDSNKI-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001714177948 1418985934 /nfs/dbraw/zinc/98/59/34/1418985934.db2.gz PIPLXKZEPDDWEN-HXUWFJFHSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001714183095 1418990734 /nfs/dbraw/zinc/99/07/34/1418990734.db2.gz YMWMINKLELNWFK-ACBHZAAOSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001714268123 1419049176 /nfs/dbraw/zinc/04/91/76/1419049176.db2.gz PURJYXHUKVVTBV-MAUKXSAKSA-N 2 0 349.544 3.140 10 0 EGAERP CC[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001714277248 1419057056 /nfs/dbraw/zinc/05/70/56/1419057056.db2.gz SIQWJSWOKVSAHW-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC1CC(C[NH2+]CCC2CCN(C(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001714291069 1419069498 /nfs/dbraw/zinc/06/94/98/1419069498.db2.gz LFELFXCIBPARQS-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001714309740 1419089788 /nfs/dbraw/zinc/08/97/88/1419089788.db2.gz QHUUIQFDGJBWKK-YLJYHZDGSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCC3CCC3)C2)C1 ZINC001714362420 1419123525 /nfs/dbraw/zinc/12/35/25/1419123525.db2.gz VELLNFXUGRUNQB-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001714420802 1419156996 /nfs/dbraw/zinc/15/69/96/1419156996.db2.gz UYPATVMQQSROAP-QGZVFWFLSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433243 1419166106 /nfs/dbraw/zinc/16/61/06/1419166106.db2.gz BBHFKOGUKMGXPH-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001714511968 1419239546 /nfs/dbraw/zinc/23/95/46/1419239546.db2.gz CXSOEAFVPHFWGK-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)[NH+]1CCCCC1 ZINC001714516665 1419243371 /nfs/dbraw/zinc/24/33/71/1419243371.db2.gz HBMHNHGOACQLDN-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714607014 1419365705 /nfs/dbraw/zinc/36/57/05/1419365705.db2.gz KGBBSDVDJRFHNT-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001714619240 1419383536 /nfs/dbraw/zinc/38/35/36/1419383536.db2.gz NYPMPRGAIKJJEE-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C[NH2+]CC/C=C\c1ccccc1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714667242 1419456123 /nfs/dbraw/zinc/45/61/23/1419456123.db2.gz AYYZFNJJSYMLSZ-OTKCHZASSA-N 2 0 343.515 3.011 10 0 EGAERP CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714754472 1419495235 /nfs/dbraw/zinc/49/52/35/1419495235.db2.gz YFZUSIQDQWMQRJ-APWZRJJASA-N 2 0 343.531 3.216 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccccc1 ZINC001714822733 1419532875 /nfs/dbraw/zinc/53/28/75/1419532875.db2.gz VMQYVMWLFACQIR-HXUWFJFHSA-N 2 0 345.531 3.276 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001714860953 1419582502 /nfs/dbraw/zinc/58/25/02/1419582502.db2.gz ASXMJBFUMPGFPW-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714872459 1419604003 /nfs/dbraw/zinc/60/40/03/1419604003.db2.gz TZGYAYOPOJUJPO-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001714900255 1419641026 /nfs/dbraw/zinc/64/10/26/1419641026.db2.gz SVHONWSAJFCBGU-QUCCMNQESA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H](F)CC[N@H+](C)CC1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001714915490 1419665826 /nfs/dbraw/zinc/66/58/26/1419665826.db2.gz TVQWPUGNQCDJER-AWEZNQCLSA-N 2 0 346.450 3.095 10 0 EGAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001714918017 1419669618 /nfs/dbraw/zinc/66/96/18/1419669618.db2.gz DKRCTJWKXBDKBN-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001714923306 1419676760 /nfs/dbraw/zinc/67/67/60/1419676760.db2.gz VJYWKVISBDVWHI-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CCc1cccc(C[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001715033067 1419765800 /nfs/dbraw/zinc/76/58/00/1419765800.db2.gz OXQORIIMPVQVBN-HXUWFJFHSA-N 2 0 345.531 3.014 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C)cc1C ZINC001715068450 1419804257 /nfs/dbraw/zinc/80/42/57/1419804257.db2.gz KKZXNKHCVZKFHJ-IBGZPJMESA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001715069014 1419804562 /nfs/dbraw/zinc/80/45/62/1419804562.db2.gz COAKMWJSHQXIQW-ABHNRTSZSA-N 2 0 339.568 3.275 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]CC2CC(C)(C)C2)C1 ZINC001715077314 1419812383 /nfs/dbraw/zinc/81/23/83/1419812383.db2.gz XBBNGKKCXSQGHS-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001715082058 1419818828 /nfs/dbraw/zinc/81/88/28/1419818828.db2.gz DBJNYWQQLWXDRK-LJQANCHMSA-N 2 0 347.547 3.309 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](CC)CNC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC001715089478 1419829634 /nfs/dbraw/zinc/82/96/34/1419829634.db2.gz UBYCJFJABHFGLN-VQTJNVASSA-N 2 0 345.531 3.108 10 0 EGAERP CCCCC[NH2+]C[C@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001715135785 1419884705 /nfs/dbraw/zinc/88/47/05/1419884705.db2.gz XDJATBLQZRWQNT-FXAWDEMLSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CCC3CC3)CC2)C1 ZINC001715174434 1419910491 /nfs/dbraw/zinc/91/04/91/1419910491.db2.gz GKTNMHUSVHRMMO-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001715183760 1419916947 /nfs/dbraw/zinc/91/69/47/1419916947.db2.gz RAEYDSDNWCVVEM-FHWLQOOXSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715211147 1419944039 /nfs/dbraw/zinc/94/40/39/1419944039.db2.gz VPEBYXUMOPKNEV-MOPGFXCFSA-N 2 0 345.531 3.369 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCCC[C@@H]1CC[NH2+]CC1CC1 ZINC001715251821 1419976502 /nfs/dbraw/zinc/97/65/02/1419976502.db2.gz NCFKWGWTZMOUHG-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001715273371 1419989225 /nfs/dbraw/zinc/98/92/25/1419989225.db2.gz QCXRYJJEUIRAMH-PKOBYXMFSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001715305814 1420014416 /nfs/dbraw/zinc/01/44/16/1420014416.db2.gz YYXPOYVWDGORSF-MSOLQXFVSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001715306221 1420015204 /nfs/dbraw/zinc/01/52/04/1420015204.db2.gz HUPPWYCAGTWQSG-OALUTQOASA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001715306313 1420015425 /nfs/dbraw/zinc/01/54/25/1420015425.db2.gz MNODQQDCNPJPNU-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001715367490 1420064008 /nfs/dbraw/zinc/06/40/08/1420064008.db2.gz JNXNXMJXAKWJCX-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001715401634 1420100345 /nfs/dbraw/zinc/10/03/45/1420100345.db2.gz PIGZGTZACHEWBT-IKLBINMZSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)=CC[N@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001715479615 1420158250 /nfs/dbraw/zinc/15/82/50/1420158250.db2.gz HZSWNQWNJAMENV-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001715483810 1420163185 /nfs/dbraw/zinc/16/31/85/1420163185.db2.gz VABSAASVUPDVHA-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)C)CC[N@@H+]1C ZINC001715560607 1420252731 /nfs/dbraw/zinc/25/27/31/1420252731.db2.gz MMEPOSVBUWQMKB-GBESFXJTSA-N 2 0 349.563 3.027 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715739871 1420319635 /nfs/dbraw/zinc/31/96/35/1420319635.db2.gz UZVLDHDVTBWRFB-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCN(CC[NH2+]CC[C@@H]1CCC[C@H](C)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001715740061 1420319975 /nfs/dbraw/zinc/31/99/75/1420319975.db2.gz NYSCRGWIWJVGNP-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001715742420 1420320968 /nfs/dbraw/zinc/32/09/68/1420320968.db2.gz IJVKVDJBDVHWPW-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001715958079 1420423878 /nfs/dbraw/zinc/42/38/78/1420423878.db2.gz FYLQONZPCBRJQF-UHFFFAOYSA-N 2 0 347.547 3.231 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001716009702 1420463285 /nfs/dbraw/zinc/46/32/85/1420463285.db2.gz SXJCYZKBSBWALC-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001716019544 1420473879 /nfs/dbraw/zinc/47/38/79/1420473879.db2.gz DMUPDWLHAPLAGX-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(CC)cc1 ZINC001716019546 1420474200 /nfs/dbraw/zinc/47/42/00/1420474200.db2.gz DMUPDWLHAPLAGX-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CCN(CC[NH2+]C/C=C/c1ccccc1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716254924 1420584815 /nfs/dbraw/zinc/58/48/15/1420584815.db2.gz BRNTWRFHZZTRQL-GIBCRERQSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001716378244 1420624194 /nfs/dbraw/zinc/62/41/94/1420624194.db2.gz HUPRDWUMYTYQFY-FBLDJFESSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716511936 1420742735 /nfs/dbraw/zinc/74/27/35/1420742735.db2.gz IVSRLFKRGXYZBV-OALUTQOASA-N 2 0 349.563 3.482 10 0 EGAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716572916 1420764808 /nfs/dbraw/zinc/76/48/08/1420764808.db2.gz MWJDVVKPOYBDAT-UHFFFAOYSA-N 2 0 333.520 3.236 10 0 EGAERP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001716634696 1420792783 /nfs/dbraw/zinc/79/27/83/1420792783.db2.gz FEFZGGJZBRVVTE-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001733273082 1429435493 /nfs/dbraw/zinc/43/54/93/1429435493.db2.gz ZFSIVXAUJYROHJ-NXEWRWPSSA-N 2 0 343.515 3.201 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@H](C)n1ccnc1 ZINC001716711775 1420864681 /nfs/dbraw/zinc/86/46/81/1420864681.db2.gz IMUFJPQSRKHYJI-OTWHNJEPSA-N 2 0 346.519 3.336 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001716723613 1420881110 /nfs/dbraw/zinc/88/11/10/1420881110.db2.gz MZLCHUYBUWDRFE-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001716780515 1420918824 /nfs/dbraw/zinc/91/88/24/1420918824.db2.gz STNNTENHWHHRNG-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CCCC2)CC1 ZINC001716821246 1420947437 /nfs/dbraw/zinc/94/74/37/1420947437.db2.gz MSYMKENSDKNVBJ-IBGZPJMESA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCC2)C1 ZINC001716821666 1420948114 /nfs/dbraw/zinc/94/81/14/1420948114.db2.gz VEQGZSQUDTYSDA-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]1(C)CC[N@H+](CCCC(C)(C)C)C1 ZINC001716850724 1420981410 /nfs/dbraw/zinc/98/14/10/1420981410.db2.gz QBRNZDKTZRCICQ-LJQANCHMSA-N 2 0 325.541 3.125 10 0 EGAERP CCCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001733279613 1429449255 /nfs/dbraw/zinc/44/92/55/1429449255.db2.gz OVKMGEHAZOVJEM-HDICACEKSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001716876331 1421002046 /nfs/dbraw/zinc/00/20/46/1421002046.db2.gz VFLFRLNQOTUVDM-PZJWPPBQSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716899730 1421029670 /nfs/dbraw/zinc/02/96/70/1421029670.db2.gz QFVPASBKUKYYHP-WIYYLYMNSA-N 2 0 345.531 3.226 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716974193 1421058434 /nfs/dbraw/zinc/05/84/34/1421058434.db2.gz XDCILKVHHJSHGA-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H]1CCC[NH+]1CCC)C2 ZINC001716998205 1421066994 /nfs/dbraw/zinc/06/69/94/1421066994.db2.gz MEGUQWHETHSMPU-YRPNKDGESA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC1 ZINC001717125928 1421128211 /nfs/dbraw/zinc/12/82/11/1421128211.db2.gz UHXRHCMRWRYWLK-IYARVYRRSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CCC[N@H+](C)Cc1ccccc1)[NH+]1CCCC1 ZINC001717215225 1421192589 /nfs/dbraw/zinc/19/25/89/1421192589.db2.gz CCCIIEXIZPMUKN-HXUWFJFHSA-N 2 0 345.531 3.087 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCCCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001717242510 1421211270 /nfs/dbraw/zinc/21/12/70/1421211270.db2.gz CNMLGNYAKAKWIL-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717301738 1421244020 /nfs/dbraw/zinc/24/40/20/1421244020.db2.gz CKMJQFVZNUBJMD-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC001717309913 1421252751 /nfs/dbraw/zinc/25/27/51/1421252751.db2.gz WNMCUNXWMJYZEO-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001717337264 1421274708 /nfs/dbraw/zinc/27/47/08/1421274708.db2.gz VLJFVYHSWDNEIS-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CCCCCC1 ZINC001717338092 1421275128 /nfs/dbraw/zinc/27/51/28/1421275128.db2.gz QCNVXILPBIMKEZ-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717366205 1421301352 /nfs/dbraw/zinc/30/13/52/1421301352.db2.gz VQNLGJQZIZPHMS-RTBURBONSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001717369568 1421307139 /nfs/dbraw/zinc/30/71/39/1421307139.db2.gz OFRPJZQMZQBHLH-XOUUWWQPSA-N 2 0 349.563 3.386 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]1C[NH+](C)CC1CC1)c1ccccc1 ZINC001717374305 1421315559 /nfs/dbraw/zinc/31/55/59/1421315559.db2.gz NSGLSXBWTVGLPN-PMACEKPBSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001717375463 1421316704 /nfs/dbraw/zinc/31/67/04/1421316704.db2.gz YIJLHLJHLIJCRG-OALUTQOASA-N 2 0 335.536 3.140 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717375747 1421317129 /nfs/dbraw/zinc/31/71/29/1421317129.db2.gz BTORZCSEUDJWBP-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001717384103 1421325557 /nfs/dbraw/zinc/32/55/57/1421325557.db2.gz HGKDBYMZRRBCAU-GHBBCFCZSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CC(C[NH2+]CC2CCCC2)C1 ZINC001717387034 1421326538 /nfs/dbraw/zinc/32/65/38/1421326538.db2.gz VNCPVCCUWGQXOG-UHFFFAOYSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001717432014 1421360179 /nfs/dbraw/zinc/36/01/79/1421360179.db2.gz AJMMJHDSGXRDEY-JKSUJKDBSA-N 2 0 325.541 3.026 10 0 EGAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717456583 1421385918 /nfs/dbraw/zinc/38/59/18/1421385918.db2.gz CYAAHPNEENNUML-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CCC[NH2+][C@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001717516112 1421453026 /nfs/dbraw/zinc/45/30/26/1421453026.db2.gz ATUVUVSLRPYDNH-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCCC1)[NH+](C)C ZINC001717523995 1421459472 /nfs/dbraw/zinc/45/94/72/1421459472.db2.gz MGBVUTYDWXJDTN-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001717525354 1421460631 /nfs/dbraw/zinc/46/06/31/1421460631.db2.gz NHESANMYUQSHIL-SFHVURJKSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCCCC1 ZINC001717538213 1421476640 /nfs/dbraw/zinc/47/66/40/1421476640.db2.gz GGILLENEAFTEIS-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCCCCC2)C1 ZINC001717551696 1421489371 /nfs/dbraw/zinc/48/93/71/1421489371.db2.gz XZLIHRSQAQIAPJ-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[NH+](CCCC2CCCC2)CC1(C)C)C1CCC1 ZINC001717582109 1421508478 /nfs/dbraw/zinc/50/84/78/1421508478.db2.gz CJBDZLZZEWUDPP-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CC2CCCCC2)CC1(C)C ZINC001717588342 1421517066 /nfs/dbraw/zinc/51/70/66/1421517066.db2.gz YLWRZVWQLMNLMD-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001717622536 1421531309 /nfs/dbraw/zinc/53/13/09/1421531309.db2.gz HWZHTBCOYFYSPG-OTWHNJEPSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@H]2C1 ZINC001717623166 1421532061 /nfs/dbraw/zinc/53/20/61/1421532061.db2.gz KTHKPIYHBIKJFY-GBESFXJTSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001717625803 1421534710 /nfs/dbraw/zinc/53/47/10/1421534710.db2.gz VEXWPZNESISSLX-IPMKNSEASA-N 2 0 349.563 3.124 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001717625801 1421534828 /nfs/dbraw/zinc/53/48/28/1421534828.db2.gz VEXWPZNESISSLX-FHWLQOOXSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736141 1421600833 /nfs/dbraw/zinc/60/08/33/1421600833.db2.gz KUOXGHSHMVENGQ-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758679 1421621367 /nfs/dbraw/zinc/62/13/67/1421621367.db2.gz ZNLWCXHXWKPSBZ-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@H]12 ZINC001717839341 1421653709 /nfs/dbraw/zinc/65/37/09/1421653709.db2.gz GIHHXNYYLBUTMH-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001717888145 1421689073 /nfs/dbraw/zinc/68/90/73/1421689073.db2.gz YVGFGAWPMCGZMG-QFBILLFUSA-N 2 0 331.504 3.036 10 0 EGAERP C[N@H+](CC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1)C1CCC1 ZINC001717895269 1421693313 /nfs/dbraw/zinc/69/33/13/1421693313.db2.gz IAUQEGIVFZFOGC-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001717961412 1421733241 /nfs/dbraw/zinc/73/32/41/1421733241.db2.gz JLLGYHSMXNJIGI-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001717965327 1421736883 /nfs/dbraw/zinc/73/68/83/1421736883.db2.gz MZXIYCSPNLRISH-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717967120 1421738973 /nfs/dbraw/zinc/73/89/73/1421738973.db2.gz XMWKCWWVNLCFHW-SJLPKXTDSA-N 2 0 333.520 3.128 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C(C)(C)C ZINC001717970445 1421742514 /nfs/dbraw/zinc/74/25/14/1421742514.db2.gz PTGASDIXJVVNJC-LJQANCHMSA-N 2 0 349.563 3.195 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001717970784 1421742911 /nfs/dbraw/zinc/74/29/11/1421742911.db2.gz BMAAYMOEMYXBSD-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCC1 ZINC001717973984 1421745664 /nfs/dbraw/zinc/74/56/64/1421745664.db2.gz PJQZOESZNPQLJF-ZWKOTPCHSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001718022081 1421777101 /nfs/dbraw/zinc/77/71/01/1421777101.db2.gz INFUGIWTCAQZKJ-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)c(F)c1 ZINC001718034088 1421786247 /nfs/dbraw/zinc/78/62/47/1421786247.db2.gz CJBYFRBKBGJCDF-PKOBYXMFSA-N 2 0 349.494 3.062 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CCCC1)C1CCCC1 ZINC001733378576 1429562210 /nfs/dbraw/zinc/56/22/10/1429562210.db2.gz AYFUKYADIVJHTH-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733432657 1429639582 /nfs/dbraw/zinc/63/95/82/1429639582.db2.gz HTANYOYYFOJDQH-HXUWFJFHSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001733436636 1429644182 /nfs/dbraw/zinc/64/41/82/1429644182.db2.gz YVWBVYJHSOSQDP-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001733462631 1429690762 /nfs/dbraw/zinc/69/07/62/1429690762.db2.gz PPHTWZWTNCJTOB-PVTFFILZSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001722907872 1424241233 /nfs/dbraw/zinc/24/12/33/1424241233.db2.gz UUPQBVKJLWDXRF-KRWDZBQOSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CCCC2)cc1 ZINC001722916779 1424253407 /nfs/dbraw/zinc/25/34/07/1424253407.db2.gz YGJAZGUHJMZSPZ-MSOLQXFVSA-N 2 0 345.531 3.403 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001722950449 1424273573 /nfs/dbraw/zinc/27/35/73/1424273573.db2.gz ADROTMXAGOCXCP-MOPGFXCFSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](C(=O)N(C)CCC[NH2+]Cc1cccc(F)c1)[NH+]1CCCCCC1 ZINC001723141622 1424306877 /nfs/dbraw/zinc/30/68/77/1424306877.db2.gz DAOYOPRYJYOHOA-QGZVFWFLSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H](C(=O)N(C)CCC[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001723142591 1424307573 /nfs/dbraw/zinc/30/75/73/1424307573.db2.gz RDQHDQRYTMLONZ-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@@H](C(=O)NCC1([NH2+][C@@H]2CCc3ccccc32)CC1)[NH+](CC)CC ZINC001723558626 1424464351 /nfs/dbraw/zinc/46/43/51/1424464351.db2.gz QBXDKJAMDVDAIE-MOPGFXCFSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CC1)[NH+]1CCCCC1 ZINC001723595305 1424481615 /nfs/dbraw/zinc/48/16/15/1424481615.db2.gz OHPNIFMMERNYJY-IBGZPJMESA-N 2 0 347.547 3.236 10 0 EGAERP CCCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723606326 1424484998 /nfs/dbraw/zinc/48/49/98/1424484998.db2.gz DVPFGVJTFAYALJ-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)n1cnc(C)c1 ZINC001723631699 1424499129 /nfs/dbraw/zinc/49/91/29/1424499129.db2.gz BXAGGYLPHZJTJF-MSOLQXFVSA-N 2 0 346.519 3.182 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001723680305 1424527494 /nfs/dbraw/zinc/52/74/94/1424527494.db2.gz OAKANECIGYFKGK-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001723741014 1424554943 /nfs/dbraw/zinc/55/49/43/1424554943.db2.gz HJMZNQPDJUNDOE-HXUWFJFHSA-N 2 0 347.547 3.120 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001723939041 1424609038 /nfs/dbraw/zinc/60/90/38/1424609038.db2.gz ABSNRSJCSMYYOG-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001733538646 1429744516 /nfs/dbraw/zinc/74/45/16/1429744516.db2.gz YZLWAACUJPEARK-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001733538644 1429744590 /nfs/dbraw/zinc/74/45/90/1429744590.db2.gz YZLWAACUJPEARK-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001724125564 1424675887 /nfs/dbraw/zinc/67/58/87/1424675887.db2.gz GSBAWTDQPMVFOG-HXUWFJFHSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001733536450 1429742432 /nfs/dbraw/zinc/74/24/32/1429742432.db2.gz TUSGKQCNEPNOKL-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]([NH2+]C[C@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001724266367 1424764111 /nfs/dbraw/zinc/76/41/11/1424764111.db2.gz FASLCRSVNQGFFN-CTNGQTDRSA-N 2 0 343.515 3.062 10 0 EGAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724273704 1424768909 /nfs/dbraw/zinc/76/89/09/1424768909.db2.gz RLKNDXDUVDHEMN-OAQYLSRUSA-N 2 0 345.531 3.380 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001724343607 1424843976 /nfs/dbraw/zinc/84/39/76/1424843976.db2.gz MYVVTCFXZINLPP-HXUWFJFHSA-N 2 0 335.536 3.047 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCC1)C2)C1CCC1 ZINC001724501786 1424878321 /nfs/dbraw/zinc/87/83/21/1424878321.db2.gz NWXIKWLOIBEQQH-NSHGMRRFSA-N 2 0 347.547 3.020 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCC1CCCC1)C2)C1CCC1 ZINC001724501784 1424878842 /nfs/dbraw/zinc/87/88/42/1424878842.db2.gz NWXIKWLOIBEQQH-BJLQDIEVSA-N 2 0 347.547 3.020 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001724555061 1424910218 /nfs/dbraw/zinc/91/02/18/1424910218.db2.gz PTTLNXBGULFOKG-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001724611426 1424951587 /nfs/dbraw/zinc/95/15/87/1424951587.db2.gz UQJACXAGTBNSRF-WGSAOQKQSA-N 2 0 349.563 3.175 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001724611981 1424953325 /nfs/dbraw/zinc/95/33/25/1424953325.db2.gz ASBXANFUORCKGT-MUGJNUQGSA-N 2 0 349.563 3.195 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001724657528 1425024068 /nfs/dbraw/zinc/02/40/68/1425024068.db2.gz ZEDCUYIIVVBVPD-QSAAVLFXSA-N 2 0 347.547 3.281 10 0 EGAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001724719302 1425072792 /nfs/dbraw/zinc/07/27/92/1425072792.db2.gz ZUTGXGNVVYFMRM-UYAOXDASSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCC1 ZINC001724791451 1425157628 /nfs/dbraw/zinc/15/76/28/1425157628.db2.gz KKEOFOOBCLYXLT-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001724858247 1425236136 /nfs/dbraw/zinc/23/61/36/1425236136.db2.gz RIWAELPQBQPBLI-VQTJNVASSA-N 2 0 345.531 3.087 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001724885216 1425268231 /nfs/dbraw/zinc/26/82/31/1425268231.db2.gz QCYICVYOGLGWNB-UHFFFAOYSA-N 2 0 337.533 3.194 10 0 EGAERP CC[NH+]1CCC(CCCCCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001724892214 1425279487 /nfs/dbraw/zinc/27/94/87/1425279487.db2.gz KFRQEKJDJJTHLQ-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001724895611 1425287084 /nfs/dbraw/zinc/28/70/84/1425287084.db2.gz NPQMKCUICGNYFX-PZJWPPBQSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001724901666 1425295790 /nfs/dbraw/zinc/29/57/90/1425295790.db2.gz UKDMCLLJMWCGOF-PZJWPPBQSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001725131155 1425600627 /nfs/dbraw/zinc/60/06/27/1425600627.db2.gz QCSDAFCTYMUFLT-VDDXMMDCSA-N 2 0 335.536 3.042 10 0 EGAERP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001725132977 1425604112 /nfs/dbraw/zinc/60/41/12/1425604112.db2.gz XMGHAXUVQYVEJP-IRXDYDNUSA-N 2 0 339.483 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC=C(C)C)C1 ZINC001725145424 1425626797 /nfs/dbraw/zinc/62/67/97/1425626797.db2.gz LXFHZDYDAOCWKG-SFHVURJKSA-N 2 0 337.552 3.149 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001725173808 1425686169 /nfs/dbraw/zinc/68/61/69/1425686169.db2.gz DFFYCBVNUKJAST-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001725179729 1425703110 /nfs/dbraw/zinc/70/31/10/1425703110.db2.gz JJNDIKLISTXETM-QFBILLFUSA-N 2 0 343.531 3.072 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2CCC2CCCC2)C1 ZINC001725237880 1425831095 /nfs/dbraw/zinc/83/10/95/1425831095.db2.gz ACTMQZZYLDKJQY-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001725244705 1425859919 /nfs/dbraw/zinc/85/99/19/1425859919.db2.gz AQFONUUNTNCRLO-XHPSBEMXSA-N 2 0 349.544 3.216 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001725254898 1425877747 /nfs/dbraw/zinc/87/77/47/1425877747.db2.gz KBFBFENIFKKPPR-INIZCTEOSA-N 2 0 349.563 3.266 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001725616632 1426278987 /nfs/dbraw/zinc/27/89/87/1426278987.db2.gz BZELYBLKARTVKP-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001725655398 1426338639 /nfs/dbraw/zinc/33/86/39/1426338639.db2.gz KTFALYMVNWRHKZ-WOJBJXKFSA-N 2 0 347.547 3.237 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001725667223 1426350176 /nfs/dbraw/zinc/35/01/76/1426350176.db2.gz XUWYZTWSQGJFDD-IRXDYDNUSA-N 2 0 337.552 3.029 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001725678888 1426366189 /nfs/dbraw/zinc/36/61/89/1426366189.db2.gz FMXIEKAVCUCDNK-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)c1 ZINC001725755714 1426434988 /nfs/dbraw/zinc/43/49/88/1426434988.db2.gz GFXVNLPRSBVHAX-LJQANCHMSA-N 2 0 347.547 3.264 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c1 ZINC001725758613 1426438000 /nfs/dbraw/zinc/43/80/00/1426438000.db2.gz VAZLCZUACCGGFH-IEBWSBKVSA-N 2 0 345.531 3.272 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725769944 1426453669 /nfs/dbraw/zinc/45/36/69/1426453669.db2.gz PPNNFVFXIKAFDN-MJRGOJFPSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001725783180 1426468340 /nfs/dbraw/zinc/46/83/40/1426468340.db2.gz HDAVTGFICBCWIG-PBPGXSGUSA-N 2 0 345.531 3.402 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001725824214 1426498223 /nfs/dbraw/zinc/49/82/23/1426498223.db2.gz APZHUGHQYIAABW-RTBURBONSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001731232549 1427192049 /nfs/dbraw/zinc/19/20/49/1427192049.db2.gz JSLLGSMXQGRDFD-XLIONFOSSA-N 2 0 345.531 3.403 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCCNC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001731277512 1427221980 /nfs/dbraw/zinc/22/19/80/1427221980.db2.gz IEGCYUNZTZRKLM-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001731364369 1427297800 /nfs/dbraw/zinc/29/78/00/1427297800.db2.gz OZDRXVMVPBWFFE-VOTSOKGWSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001731517430 1427504903 /nfs/dbraw/zinc/50/49/03/1427504903.db2.gz JHCNXDWLBOZNNT-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1CCCCC1 ZINC001731536246 1427533608 /nfs/dbraw/zinc/53/36/08/1427533608.db2.gz NBZWGVBFNRSEAP-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001731601547 1427643898 /nfs/dbraw/zinc/64/38/98/1427643898.db2.gz NQQJVSRCCYLUCP-QZTJIDSGSA-N 2 0 343.515 3.026 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731600965 1427644645 /nfs/dbraw/zinc/64/46/45/1427644645.db2.gz KEVZQWCWLRXSEP-ZWKOTPCHSA-N 2 0 343.515 3.026 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731659242 1427712155 /nfs/dbraw/zinc/71/21/55/1427712155.db2.gz HSFZZXAIYJNNMP-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001731694755 1427744144 /nfs/dbraw/zinc/74/41/44/1427744144.db2.gz MDOKASRGNVVPAE-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCC1CCCCC1 ZINC001731805155 1427975417 /nfs/dbraw/zinc/97/54/17/1427975417.db2.gz GLDLYVNDHIXFLP-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001731843345 1428066716 /nfs/dbraw/zinc/06/67/16/1428066716.db2.gz VZAGDUPXWUWBEB-LXORQPIJSA-N 2 0 335.536 3.188 10 0 EGAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731947415 1428179221 /nfs/dbraw/zinc/17/92/21/1428179221.db2.gz YFNFNALPIZAIGI-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731973288 1428189884 /nfs/dbraw/zinc/18/98/84/1428189884.db2.gz VKGLCJKJODAOGM-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001731974463 1428190456 /nfs/dbraw/zinc/19/04/56/1428190456.db2.gz CQIORUMZEKULDI-ROUUACIJSA-N 2 0 345.531 3.261 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001731974461 1428190663 /nfs/dbraw/zinc/19/06/63/1428190663.db2.gz CQIORUMZEKULDI-MSOLQXFVSA-N 2 0 345.531 3.261 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1 ZINC001731985732 1428197095 /nfs/dbraw/zinc/19/70/95/1428197095.db2.gz DGBKIMVHEWUMSW-HDICACEKSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1 ZINC001733690780 1429907310 /nfs/dbraw/zinc/90/73/10/1429907310.db2.gz BKUPFBHONYJYTQ-WGSAOQKQSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001733691512 1429907980 /nfs/dbraw/zinc/90/79/80/1429907980.db2.gz IRIJTQRKMYYTFX-HPFJUIBNSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)CCC[N@H+](C)CCCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001733773728 1430011574 /nfs/dbraw/zinc/01/15/74/1430011574.db2.gz CVQXEHINLDJNKI-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001733802292 1430069689 /nfs/dbraw/zinc/06/96/89/1430069689.db2.gz AJPLAPFVZXWNBJ-UHFFFAOYSA-N 2 0 337.552 3.412 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733806473 1430077481 /nfs/dbraw/zinc/07/74/81/1430077481.db2.gz OAUHGRYPIBWPKX-MSOLQXFVSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001733809692 1430085824 /nfs/dbraw/zinc/08/58/24/1430085824.db2.gz QKQLTZFLRLLAFC-DVBCCOPCSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733867984 1437694876 /nfs/dbraw/zinc/69/48/76/1437694876.db2.gz SUKCFMAGCCLKMW-VOTSOKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001733879569 1437705842 /nfs/dbraw/zinc/70/58/42/1437705842.db2.gz SALDUBWASLMFSN-GHOSXJJBSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001733931761 1437744574 /nfs/dbraw/zinc/74/45/74/1437744574.db2.gz IDFUXWPIKIGJCN-GOSISDBHSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CCCCC3)C2)C1 ZINC001733942776 1437759288 /nfs/dbraw/zinc/75/92/88/1437759288.db2.gz ZLBPLXUYYHRALF-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)cc1C ZINC001733987234 1437783545 /nfs/dbraw/zinc/78/35/45/1437783545.db2.gz JNLKQWOYDVSMBG-ZWKOTPCHSA-N 2 0 347.547 3.264 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC001733996258 1437789984 /nfs/dbraw/zinc/78/99/84/1437789984.db2.gz DKDNHEIFDQBFNX-MOPGFXCFSA-N 2 0 345.531 3.018 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001734003069 1437795274 /nfs/dbraw/zinc/79/52/74/1437795274.db2.gz NJGFNSQDXWBFOT-MSOLQXFVSA-N 2 0 345.531 3.108 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CCC(C)C)CC1 ZINC001734010845 1437802258 /nfs/dbraw/zinc/80/22/58/1437802258.db2.gz SUHJQKYXQMDBBT-ACBHZAAOSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccsc1 ZINC001734041197 1437829902 /nfs/dbraw/zinc/82/99/02/1437829902.db2.gz WKVSVYNXAMKUBC-YJBOKZPZSA-N 2 0 349.544 3.092 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)[N@H+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001734050171 1437839880 /nfs/dbraw/zinc/83/98/80/1437839880.db2.gz ZTPGTUMSUNHGGI-IAGOWNOFSA-N 2 0 341.499 3.289 10 0 EGAERP C[C@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)CCC1CCCCC1 ZINC001734053348 1437843261 /nfs/dbraw/zinc/84/32/61/1437843261.db2.gz MZPLMSKCEIHIAD-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001734086066 1437871946 /nfs/dbraw/zinc/87/19/46/1437871946.db2.gz MWOXAVCYYARYAG-UHFFFAOYSA-N 2 0 342.487 3.465 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001734088867 1437873843 /nfs/dbraw/zinc/87/38/43/1437873843.db2.gz SBBWSENRJBTJBS-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)(C)CCC[NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCCC1 ZINC001734092145 1437876194 /nfs/dbraw/zinc/87/61/94/1437876194.db2.gz GIOKQPCBXKKFCG-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734118063 1437899967 /nfs/dbraw/zinc/89/99/67/1437899967.db2.gz AWMVZXFNAIITGJ-HPFMTEOYSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001734232914 1437951457 /nfs/dbraw/zinc/95/14/57/1437951457.db2.gz HJXYVTPLYPVFKN-FUHWJXTLSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001734257484 1437973478 /nfs/dbraw/zinc/97/34/78/1437973478.db2.gz SJTHKXWCVCVFMS-QGZVFWFLSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCC1CCCC1 ZINC001734288067 1438017250 /nfs/dbraw/zinc/01/72/50/1438017250.db2.gz GMKZMWGZCHDAMQ-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C ZINC001734332180 1438055559 /nfs/dbraw/zinc/05/55/59/1438055559.db2.gz RVBHFOMTOQIXKL-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001734337366 1438058739 /nfs/dbraw/zinc/05/87/39/1438058739.db2.gz QXWKORYJNHDRIS-KRWDZBQOSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001734337368 1438058881 /nfs/dbraw/zinc/05/88/81/1438058881.db2.gz QXWKORYJNHDRIS-QGZVFWFLSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001734394658 1438080279 /nfs/dbraw/zinc/08/02/79/1438080279.db2.gz LJNAHDJSWWXHSN-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001734398037 1438081472 /nfs/dbraw/zinc/08/14/72/1438081472.db2.gz DIEMJLGUTPPCCK-DLBZAZTESA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001734402326 1438083486 /nfs/dbraw/zinc/08/34/86/1438083486.db2.gz IGMKWMALEIZKQA-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001734407641 1438085530 /nfs/dbraw/zinc/08/55/30/1438085530.db2.gz LQFQBKTUQIRYIK-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC001734449165 1438108496 /nfs/dbraw/zinc/10/84/96/1438108496.db2.gz JEIHCHSJLNAXGB-SLFFLAALSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001734496005 1438132504 /nfs/dbraw/zinc/13/25/04/1438132504.db2.gz NGTMTWJGXGPVRN-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1C[C@H]([NH2+]CC(C)C)C(C)(C)C1)c1ccccc1 ZINC001734510426 1438138401 /nfs/dbraw/zinc/13/84/01/1438138401.db2.gz RZSHTGAZVDYGIY-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CC1 ZINC001734572155 1438165746 /nfs/dbraw/zinc/16/57/46/1438165746.db2.gz VETAGXWFEKIFRI-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001734577659 1438170516 /nfs/dbraw/zinc/17/05/16/1438170516.db2.gz KRDGOWMDEOGQSI-DUMMIQTOSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001734578833 1438171230 /nfs/dbraw/zinc/17/12/30/1438171230.db2.gz KRXWKTOOCTTWJS-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001734587969 1438177743 /nfs/dbraw/zinc/17/77/43/1438177743.db2.gz RDBXJGRKXNLESX-ROUUACIJSA-N 2 0 345.531 3.306 10 0 EGAERP CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001734595161 1438180659 /nfs/dbraw/zinc/18/06/59/1438180659.db2.gz VFJXQECWECNJQP-PRUDCKRUSA-N 2 0 335.536 3.185 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001734635316 1438195612 /nfs/dbraw/zinc/19/56/12/1438195612.db2.gz KFAHNFUPZRDTQO-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001734637141 1438196665 /nfs/dbraw/zinc/19/66/65/1438196665.db2.gz NSDIVPUNETXGBM-RBUKOAKNSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](CC[C@@H]([NH3+])c1cccc(Br)c1)[C@@H](C)COC ZINC000053940689 214205412 /nfs/dbraw/zinc/20/54/12/214205412.db2.gz ZLADBMZLYXTQFV-SWLSCSKDSA-N 2 0 329.282 3.196 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C)Cc2ccccc21 ZINC000353589143 282250874 /nfs/dbraw/zinc/25/08/74/282250874.db2.gz OVFIFNGSNPIQTH-UHFFFAOYSA-N 2 0 333.439 3.028 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H]2CCC[C@@H]21 ZINC000375861994 283134606 /nfs/dbraw/zinc/13/46/06/283134606.db2.gz QJUZROVZNKVQSR-AABGKKOBSA-N 2 0 328.500 3.197 10 0 EGAERP C[C@H]1C[NH+](Cc2ccccc2)C[C@H](C)C1[NH2+]C[C@H](O)CC(F)(F)F ZINC000189956339 237437103 /nfs/dbraw/zinc/43/71/03/237437103.db2.gz IYDWUPXPYPIPQH-OFQRWUPVSA-N 2 0 344.421 3.046 10 0 EGAERP Cc1nn(C)c(C)c1CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359892558 201116119 /nfs/dbraw/zinc/11/61/19/201116119.db2.gz BUQCLLJHDMMFDJ-OXQOHEQNSA-N 2 0 340.515 3.080 10 0 EGAERP Cc1ccc(O)c(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000272153060 201248942 /nfs/dbraw/zinc/24/89/42/201248942.db2.gz DRSXMVGWSGBOPW-FUHWJXTLSA-N 2 0 325.456 3.096 10 0 EGAERP C[C@H](CCc1ccccc1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000069777293 203048690 /nfs/dbraw/zinc/04/86/90/203048690.db2.gz FZLQPGIORUSOGN-TZIWHRDSSA-N 2 0 329.532 3.110 10 0 EGAERP CCC[NH+]1CCC(N2CC[NH+](CCSc3ccccc3)CC2)CC1 ZINC000071910676 203147400 /nfs/dbraw/zinc/14/74/00/203147400.db2.gz VJGUYHZESLACRC-UHFFFAOYSA-N 2 0 347.572 3.271 10 0 EGAERP CC(C)=CC[N@@H+]1CCN(c2cc(C)[nH+]c3ccccc32)C[C@H]1CCO ZINC000072409026 203215419 /nfs/dbraw/zinc/21/54/19/203215419.db2.gz WLBYKHXXGIETEX-GOSISDBHSA-N 2 0 339.483 3.382 10 0 EGAERP CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261862530 284209955 /nfs/dbraw/zinc/20/99/55/284209955.db2.gz WZYZBPQLYIOPSA-VBSBHUPXSA-N 2 0 343.515 3.045 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000121670416 204818395 /nfs/dbraw/zinc/81/83/95/204818395.db2.gz POBMXCRPWHFNAU-MRXNPFEDSA-N 2 0 345.487 3.416 10 0 EGAERP Cc1ncc(C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)s1 ZINC000133942581 205386065 /nfs/dbraw/zinc/38/60/65/205386065.db2.gz MZOJHRSZICMVEN-UHFFFAOYSA-N 2 0 344.528 3.272 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC2(CC1)OCCO2 ZINC000161733201 206132564 /nfs/dbraw/zinc/13/25/64/206132564.db2.gz PXWMUFRTOGZASQ-XLIONFOSSA-N 2 0 344.499 3.172 10 0 EGAERP C[C@H]1C[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000266000021 248013844 /nfs/dbraw/zinc/01/38/44/248013844.db2.gz OYEQXHXHHGWHHU-FXAWDEMLSA-N 2 0 343.515 3.227 10 0 EGAERP C[C@H](C(=O)N1c2ccccc2CC[C@H]1C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246722740 141028953 /nfs/dbraw/zinc/02/89/53/141028953.db2.gz DFOOBDVBCXADJF-KURKYZTESA-N 2 0 343.515 3.016 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@H]1CC[C@@H]1C1CCC1 ZINC000338011227 141072749 /nfs/dbraw/zinc/07/27/49/141072749.db2.gz XBCCLAAAASKUJM-HBMCJLEFSA-N 2 0 328.500 3.312 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOc1ccc(C)cc1 ZINC000346207379 141180601 /nfs/dbraw/zinc/18/06/01/141180601.db2.gz MVZPBRXFJOBKTG-UHFFFAOYSA-N 2 0 336.439 3.395 10 0 EGAERP c1cn(-c2csc(C[N@H+]3CC[C@H](C[NH+]4CCCCC4)C3)c2)cn1 ZINC000346214997 141182705 /nfs/dbraw/zinc/18/27/05/141182705.db2.gz ZRDZLPJQQZBZAG-MRXNPFEDSA-N 2 0 330.501 3.242 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000346443609 141195879 /nfs/dbraw/zinc/19/58/79/141195879.db2.gz JNTVDDQKYPECJC-OLMMMNRUSA-N 2 0 349.544 3.120 10 0 EGAERP CCC1(CC)CCC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC1 ZINC000346478121 141203827 /nfs/dbraw/zinc/20/38/27/141203827.db2.gz WANWNDJNIQEKQQ-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000353461653 141301894 /nfs/dbraw/zinc/30/18/94/141301894.db2.gz NALDFXJOCGGOLM-NJDAHSKKSA-N 2 0 346.515 3.202 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(Cc2ccc(Cl)s2)CC1 ZINC000171921991 144012942 /nfs/dbraw/zinc/01/29/42/144012942.db2.gz UNTKOHUAJVDDKC-CQSZACIVSA-N 2 0 327.925 3.003 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370149 144132044 /nfs/dbraw/zinc/13/20/44/144132044.db2.gz ZWDIFRLGWNRYEX-QZTJIDSGSA-N 2 0 326.525 3.059 10 0 EGAERP Cc1nccn1-c1ccc([C@H](C)Nc2ncnc3c2CN(C)CC3)cc1 ZINC000364075217 144390484 /nfs/dbraw/zinc/39/04/84/144390484.db2.gz IWAORQHMPPWPLL-AWEZNQCLSA-N 2 0 348.454 3.132 10 0 EGAERP C[NH+](C)CC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000341164724 155203970 /nfs/dbraw/zinc/20/39/70/155203970.db2.gz AJLXJMORAYQFFS-UHFFFAOYSA-N 2 0 334.489 3.004 10 0 EGAERP Brc1ccc(CN2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000191228958 153182942 /nfs/dbraw/zinc/18/29/42/153182942.db2.gz OOYPBWBCWZUBMB-UHFFFAOYSA-N 2 0 327.266 3.350 10 0 EGAERP C[C@@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000194647070 153349266 /nfs/dbraw/zinc/34/92/66/153349266.db2.gz RZWZGUJELPGGSL-KSZLIROESA-N 2 0 343.515 3.160 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071707 154139915 /nfs/dbraw/zinc/13/99/15/154139915.db2.gz ACKOZLLJAXITGS-QCFAMHMHSA-N 2 0 329.532 3.217 10 0 EGAERP COc1cc(C[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000310950100 154145107 /nfs/dbraw/zinc/14/51/07/154145107.db2.gz LUGFHYXWMZCTQL-QFBILLFUSA-N 2 0 340.467 3.401 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCSC)CC1 ZINC000343689982 164013801 /nfs/dbraw/zinc/01/38/01/164013801.db2.gz DPFDLOYZXKMNDK-UHFFFAOYSA-N 2 0 335.561 3.404 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000350310984 165027913 /nfs/dbraw/zinc/02/79/13/165027913.db2.gz DEVNUVSBIYOSFA-IBGZPJMESA-N 2 0 329.488 3.485 10 0 EGAERP C[C@@H](C(=O)N1c2ccccc2CC[C@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350945735 165084262 /nfs/dbraw/zinc/08/42/62/165084262.db2.gz AGQQZDOWQRSLPI-SJORKVTESA-N 2 0 343.515 3.016 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000358947723 167015644 /nfs/dbraw/zinc/01/56/44/167015644.db2.gz IKGFFIUTVIJVKG-CQSZACIVSA-N 2 0 329.419 3.447 10 0 EGAERP CC[C@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccn(C)n1 ZINC000359024051 167041471 /nfs/dbraw/zinc/04/14/71/167041471.db2.gz BJBFOIFCWDRPOG-NRXISQOPSA-N 2 0 344.425 3.266 10 0 EGAERP CCn1nccc1CC[N@H+](C)[C@@H]1CCN(Cc2ccccc2)[C@@H](C)C1 ZINC000364955377 168005486 /nfs/dbraw/zinc/00/54/86/168005486.db2.gz NTMMJSPCDWRGAY-GHTZIAJQSA-N 2 0 340.515 3.430 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)[C@H]([NH+]2CCOCC2)C1 ZINC000185344810 265490724 /nfs/dbraw/zinc/49/07/24/265490724.db2.gz SJJZZWWHTMFSKO-SJLPKXTDSA-N 2 0 325.456 3.009 10 0 EGAERP CSCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000173682771 274175133 /nfs/dbraw/zinc/17/51/33/274175133.db2.gz YKYYNEHPWXICDH-IBGZPJMESA-N 2 0 336.545 3.117 10 0 EGAERP COc1ccc([C@@H](Cc2ccncc2)[NH2+]CCCC[NH+](C)C)cc1 ZINC000286060543 275946745 /nfs/dbraw/zinc/94/67/45/275946745.db2.gz LKVPAPKEULFVMJ-HXUWFJFHSA-N 2 0 327.472 3.305 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000354097140 276100579 /nfs/dbraw/zinc/10/05/79/276100579.db2.gz OCIIEFXUDXTFNS-IBGZPJMESA-N 2 0 334.504 3.245 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337481984 277043929 /nfs/dbraw/zinc/04/39/29/277043929.db2.gz FGOIKSGCRMYDGU-ZWKOTPCHSA-N 2 0 330.520 3.273 10 0 EGAERP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000366331309 279827340 /nfs/dbraw/zinc/82/73/40/279827340.db2.gz GJDVDEDJJHTWDB-HOJAQTOUSA-N 2 0 347.547 3.068 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000152623176 295104443 /nfs/dbraw/zinc/10/44/43/295104443.db2.gz QZEFOFWZWNBTRI-MSOLQXFVSA-N 2 0 346.515 3.124 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCCS2)CC1 ZINC000152603649 307755947 /nfs/dbraw/zinc/75/59/47/307755947.db2.gz IQLVVQJNIXRCTG-GOSISDBHSA-N 2 0 333.545 3.204 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CNc2[nH+]ccn2CC)CC1 ZINC000414301541 309071598 /nfs/dbraw/zinc/07/15/98/309071598.db2.gz NESRVCHKRUGLAA-UHFFFAOYSA-N 2 0 327.476 3.047 10 0 EGAERP c1cc(Sc2ccccn2)oc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000292895262 308077434 /nfs/dbraw/zinc/07/74/34/308077434.db2.gz DVWRMSWVKMCQOH-UHFFFAOYSA-N 2 0 347.484 3.028 10 0 EGAERP Cc1nocc1C[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000293593505 308144933 /nfs/dbraw/zinc/14/49/33/308144933.db2.gz OMPYMQKGTJNIPO-UHFFFAOYSA-N 2 0 343.471 3.144 10 0 EGAERP COc1ccc(F)c(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1 ZINC000293610661 308146160 /nfs/dbraw/zinc/14/61/60/308146160.db2.gz PQDTWYVGBNOJES-UHFFFAOYSA-N 2 0 346.446 3.455 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCOC1(C)C ZINC000295236766 308306254 /nfs/dbraw/zinc/30/62/54/308306254.db2.gz OYLUEYNZGOHJAF-QZTJIDSGSA-N 2 0 332.488 3.001 10 0 EGAERP COCCCOc1cccc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414815371 309103408 /nfs/dbraw/zinc/10/34/08/309103408.db2.gz XJOSUWNGJZFZLY-MRXNPFEDSA-N 2 0 328.456 3.411 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000414817273 309103559 /nfs/dbraw/zinc/10/35/59/309103559.db2.gz RWCIOPJSKOZHTQ-CYBMUJFWSA-N 2 0 329.410 3.213 10 0 EGAERP Fc1ccccc1COc1cccc(C[NH2+]CC[C@H]2CC[NH2+]C2)c1 ZINC000414824944 309103978 /nfs/dbraw/zinc/10/39/78/309103978.db2.gz BMOJITISSUWSIG-MRXNPFEDSA-N 2 0 328.431 3.494 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414826578 309104058 /nfs/dbraw/zinc/10/40/58/309104058.db2.gz FSIXWVKJPBSBEE-VXGBXAGGSA-N 2 0 329.257 3.108 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC000411390101 308936784 /nfs/dbraw/zinc/93/67/84/308936784.db2.gz PIAHBEULTBFVJL-QGZVFWFLSA-N 2 0 331.504 3.133 10 0 EGAERP Fc1cc(C[NH2+]CCCNCc2cccnc2)ccc1OC(F)F ZINC000414875271 309106645 /nfs/dbraw/zinc/10/66/45/309106645.db2.gz IYSHENXSCNRFAM-UHFFFAOYSA-N 2 0 339.361 3.092 10 0 EGAERP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)ccc1OCC(F)(F)F ZINC000414938929 309110126 /nfs/dbraw/zinc/11/01/26/309110126.db2.gz ITPWMAVWEKYHKL-OCCSQVGLSA-N 2 0 346.393 3.114 10 0 EGAERP c1ccc(C[C@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415046992 309116291 /nfs/dbraw/zinc/11/62/91/309116291.db2.gz DGDFMECOGXHPFR-OVESXRPUSA-N 2 0 341.543 3.204 10 0 EGAERP c1ccc([C@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053796 309116808 /nfs/dbraw/zinc/11/68/08/309116808.db2.gz MWGGBOIRXQIZDB-TZWRJOPASA-N 2 0 327.516 3.129 10 0 EGAERP Cc1ccc(CC[C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415057149 309117075 /nfs/dbraw/zinc/11/70/75/309117075.db2.gz RBRAHZZSEQJYJA-KMFTYDHNSA-N 2 0 329.532 3.122 10 0 EGAERP C[C@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1 ZINC000415057679 309117292 /nfs/dbraw/zinc/11/72/92/309117292.db2.gz SBHGHDKJPOPOPZ-VNCLNFNDSA-N 2 0 335.923 3.250 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)Nc2cccc(C[NH2+]CC)c2)CC1 ZINC000415907873 309147607 /nfs/dbraw/zinc/14/76/07/309147607.db2.gz OFIYXGUDYFUQMZ-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000415947604 309150799 /nfs/dbraw/zinc/15/07/99/309150799.db2.gz WTDRAZJVFNTMNH-CVEARBPZSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000415960459 309151333 /nfs/dbraw/zinc/15/13/33/309151333.db2.gz BOLGMYIEVJWOMN-LLVKDONJSA-N 2 0 346.397 3.016 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)CC(C)C ZINC000416966555 309188213 /nfs/dbraw/zinc/18/82/13/309188213.db2.gz YOAAYTARMHYFJD-APWZRJJASA-N 2 0 348.535 3.262 10 0 EGAERP FC(F)(F)c1cccc([C@@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420296833 309279798 /nfs/dbraw/zinc/27/97/98/309279798.db2.gz FERSZZRTTLPVNX-PBHICJAKSA-N 2 0 342.405 3.468 10 0 EGAERP FC(F)(F)c1cccc([C@@H]2C[N@H+](CC[C@H]3CC[NH2+]C3)CCO2)c1 ZINC000420308115 309280856 /nfs/dbraw/zinc/28/08/56/309280856.db2.gz SAOUXZDXYKPMND-CJNGLKHVSA-N 2 0 328.378 3.078 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@H+](C)CCOc2ccc(C)cc2)cc1 ZINC000420320581 309282109 /nfs/dbraw/zinc/28/21/09/309282109.db2.gz QRIMNGHKGRKXRK-SFHVURJKSA-N 2 0 328.456 3.057 10 0 EGAERP COCc1cccc(OCC2(C[NH2+][C@H]3CC[NH2+]CC3(C)C)CCC2)c1 ZINC000420359184 309284048 /nfs/dbraw/zinc/28/40/48/309284048.db2.gz JMXNSJMHNPGTKV-IBGZPJMESA-N 2 0 346.515 3.360 10 0 EGAERP CCC[NH+]1CCC(CN[C@@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422746466 309366297 /nfs/dbraw/zinc/36/62/97/309366297.db2.gz WPCOKQWRBOJNHV-RTWAWAEBSA-N 2 0 345.531 3.200 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752649 309366641 /nfs/dbraw/zinc/36/66/41/309366641.db2.gz CVAVMOVEGOMZIO-MAUKXSAKSA-N 2 0 342.462 3.307 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422752643 309366666 /nfs/dbraw/zinc/36/66/66/309366666.db2.gz CUHJSRNICNRPIR-VRXWPRPYSA-N 2 0 343.515 3.174 10 0 EGAERP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422824398 309370271 /nfs/dbraw/zinc/37/02/71/309370271.db2.gz GZZFRXHJYAQBDJ-GUDVDZBRSA-N 2 0 328.504 3.082 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422867456 309372774 /nfs/dbraw/zinc/37/27/74/309372774.db2.gz SHNGBTDFCAPSCR-ZSZQSSIHSA-N 2 0 345.437 3.092 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871268 309372980 /nfs/dbraw/zinc/37/29/80/309372980.db2.gz YNGOXMBOUKHEIU-HIFRSBDPSA-N 2 0 346.425 3.056 10 0 EGAERP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000422875484 309373175 /nfs/dbraw/zinc/37/31/75/309373175.db2.gz CTTPEUJOSIZOEF-VAMGGRTRSA-N 2 0 342.531 3.472 10 0 EGAERP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422879164 309373733 /nfs/dbraw/zinc/37/37/33/309373733.db2.gz UUQLPDPQXRKHCX-BURFUSLBSA-N 2 0 348.922 3.214 10 0 EGAERP CCC1(C[NH2+][C@H](C)[C@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000423002132 309380338 /nfs/dbraw/zinc/38/03/38/309380338.db2.gz IWAAJGDVFRMFBA-UYAOXDASSA-N 3 0 329.532 3.409 10 0 EGAERP CCC1(C[NH2+][C@@H]2CCC[C@H]2C[NH3+])CC[NH+](Cc2ccccc2)CC1 ZINC000423003908 309380434 /nfs/dbraw/zinc/38/04/34/309380434.db2.gz NONPNEQOEDFWTQ-VQTJNVASSA-N 3 0 329.532 3.396 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000423009809 309380697 /nfs/dbraw/zinc/38/06/97/309380697.db2.gz DZFMFJSEJRSXIA-TYPHKJRUSA-N 2 0 335.451 3.378 10 0 EGAERP CCN1CC[C@H]([NH2+][C@H](C)C[C@@H](C)[NH3+])[C@H]1c1ccc(Cl)c(F)c1 ZINC000423017864 309381252 /nfs/dbraw/zinc/38/12/52/309381252.db2.gz PREJNIUATMEJDH-YQPCPPDFSA-N 2 0 327.875 3.330 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423021079 309381414 /nfs/dbraw/zinc/38/14/14/309381414.db2.gz DGWOPURFFYKFPM-IYWMVGAKSA-N 2 0 343.421 3.444 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033679 309382137 /nfs/dbraw/zinc/38/21/37/309382137.db2.gz ZPCRZRFPAVLKGL-IEBWSBKVSA-N 2 0 347.890 3.362 10 0 EGAERP COc1cccc([C@@H]2[C@H]([NH2+][C@H](C)CCCC[NH3+])CCN2C2CC2)c1 ZINC000423037407 309382343 /nfs/dbraw/zinc/38/23/43/309382343.db2.gz BMQXVURLQYBSGQ-CDHQVMDDSA-N 2 0 331.504 3.080 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423084365 309385277 /nfs/dbraw/zinc/38/52/77/309385277.db2.gz HVDQFRYEPYYAJP-VQIMIIECSA-N 2 0 338.499 3.021 10 0 EGAERP c1ccc(N2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423088378 309385321 /nfs/dbraw/zinc/38/53/21/309385321.db2.gz RTTWYHMIHMADJN-PCCBWWKXSA-N 2 0 327.516 3.413 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000423116891 309386819 /nfs/dbraw/zinc/38/68/19/309386819.db2.gz RZLUDMKGXDWXJR-FZMZJTMJSA-N 2 0 327.266 3.380 10 0 EGAERP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000423142829 309388108 /nfs/dbraw/zinc/38/81/08/309388108.db2.gz BJDBXDRNAIOMTG-DSLXNQLJSA-N 2 0 336.426 3.089 10 0 EGAERP C[C@H]([NH2+][C@H]1CCc2cccc(Br)c2C1)[C@@H]1CCC[NH2+]C1 ZINC000423204932 309390324 /nfs/dbraw/zinc/39/03/24/309390324.db2.gz AVRACNIWZKUSSD-CFVMTHIKSA-N 2 0 337.305 3.284 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000423249114 309392106 /nfs/dbraw/zinc/39/21/06/309392106.db2.gz OGFGFBFNFVKBIS-IINYFYTJSA-N 2 0 327.241 3.165 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000423334052 309395720 /nfs/dbraw/zinc/39/57/20/309395720.db2.gz QJPKPBNAXCLDTI-GOSISDBHSA-N 3 0 329.532 3.061 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC[NH2+]1 ZINC000423373653 309397561 /nfs/dbraw/zinc/39/75/61/309397561.db2.gz HONLDPRJRZFTQR-GPCCPHFNSA-N 2 0 327.241 3.306 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423386593 309398196 /nfs/dbraw/zinc/39/81/96/309398196.db2.gz LYWROVKAWPXXHG-VGSWGCGISA-N 3 0 335.495 3.290 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2[NH2+]Cc1cccc2c1CCCN2 ZINC000423408326 309398915 /nfs/dbraw/zinc/39/89/15/309398915.db2.gz ACDMIHZHYKCHQJ-UNMCSNQZSA-N 2 0 349.478 3.390 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+][C@@H]2CCN(C(C)(C)C)C2=O)c1 ZINC000424110654 309429760 /nfs/dbraw/zinc/42/97/60/309429760.db2.gz DDLMTGUSSDHUNW-GOSISDBHSA-N 2 0 331.504 3.017 10 0 EGAERP CCOC(=O)c1cc(C[NH+]2CCC(C[NH+](CC)CC)CC2)[nH]c1C ZINC000449010941 310028838 /nfs/dbraw/zinc/02/88/38/310028838.db2.gz NOLQMESDHDKMHN-UHFFFAOYSA-N 2 0 335.492 3.054 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+]Cc2ccnc3c(Br)cccc23)C1 ZINC000449085781 310035827 /nfs/dbraw/zinc/03/58/27/310035827.db2.gz ACZVICITUQBHAP-ZDUSSCGKSA-N 2 0 348.288 3.429 10 0 EGAERP CC[N@@H+]1CC[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449088544 310036264 /nfs/dbraw/zinc/03/62/64/310036264.db2.gz HXSFETDHNPGZHZ-AZUAARDMSA-N 2 0 329.532 3.013 10 0 EGAERP COc1cc(C)ccc1C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000449171370 310042075 /nfs/dbraw/zinc/04/20/75/310042075.db2.gz TYBKZVWJPYEIRE-UHFFFAOYSA-N 2 0 345.531 3.044 10 0 EGAERP CCC(CC)(CO)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449216557 310045241 /nfs/dbraw/zinc/04/52/41/310045241.db2.gz SZWVOPJZXQQVOS-SFHVURJKSA-N 2 0 332.532 3.470 10 0 EGAERP CC(C)(O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453018285 310252942 /nfs/dbraw/zinc/25/29/42/310252942.db2.gz NXXOJCVPJVANEA-LJQANCHMSA-N 2 0 330.516 3.380 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CCCC[N@H+](C)C2CC2)cc1NC(C)=O ZINC000453398553 310274785 /nfs/dbraw/zinc/27/47/85/310274785.db2.gz KPLNPWCKTBVDAJ-CQSZACIVSA-N 2 0 333.476 3.179 10 0 EGAERP COc1ccccc1-c1ncc(C[NH2+]CCCC[N@H+](C)C2CC2)cn1 ZINC000453599442 310283801 /nfs/dbraw/zinc/28/38/01/310283801.db2.gz REXLYQSCFYVZLQ-UHFFFAOYSA-N 2 0 340.471 3.116 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CC2CCC(F)(F)CC2)CC1 ZINC000459451026 310553767 /nfs/dbraw/zinc/55/37/67/310553767.db2.gz VBXODTGBDWTHMC-UHFFFAOYSA-N 2 0 325.403 3.038 10 0 EGAERP CCc1cccc(F)c1C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000474936530 310801888 /nfs/dbraw/zinc/80/18/88/310801888.db2.gz ZRVUUQWTGTXUBB-UHFFFAOYSA-N 2 0 347.522 3.238 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000482504458 310933200 /nfs/dbraw/zinc/93/32/00/310933200.db2.gz DSBIKLCHMMMWRA-SFHVURJKSA-N 2 0 345.531 3.296 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1)[C@@H]1CC1(C)C ZINC000487305166 311019685 /nfs/dbraw/zinc/01/96/85/311019685.db2.gz MJCLYWPATKPHEU-APWZRJJASA-N 2 0 343.515 3.036 10 0 EGAERP CCC[N@H+](Cc1ccccc1N1CC[NH+](CCC)CC1)CC(C)(C)O ZINC000513751190 312216807 /nfs/dbraw/zinc/21/68/07/312216807.db2.gz YQYQHOPBQCBGIS-UHFFFAOYSA-N 2 0 347.547 3.202 10 0 EGAERP C[C@@H]1C[C@H](C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[NH2+]1 ZINC000530244121 313504856 /nfs/dbraw/zinc/50/48/56/313504856.db2.gz XABIZAVSVCZJCC-NVXWUHKLSA-N 2 0 346.519 3.370 10 0 EGAERP C[N@H+](CC1CC1)C[C@@H]1CC[NH+](CCN2CCCc3ccccc32)C1 ZINC000534869907 314004130 /nfs/dbraw/zinc/00/41/30/314004130.db2.gz WOCARJSULOOZNU-IBGZPJMESA-N 2 0 327.516 3.103 10 0 EGAERP COc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)O[C@H](C)C2 ZINC000535067717 314022967 /nfs/dbraw/zinc/02/29/67/314022967.db2.gz CRFPMIOHUKLZIS-MRXNPFEDSA-N 2 0 344.499 3.326 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000536626109 314131979 /nfs/dbraw/zinc/13/19/79/314131979.db2.gz CXHHNGHKRZFNOV-GJZGRUSLSA-N 2 0 341.902 3.403 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@H](C)C1 ZINC000539838232 314343940 /nfs/dbraw/zinc/34/39/40/314343940.db2.gz JHZYPOSOOVNTIV-RKVPGOIHSA-N 2 0 332.488 3.181 10 0 EGAERP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000548392268 315003515 /nfs/dbraw/zinc/00/35/15/315003515.db2.gz OMEBRZBZCUOSHG-CTNGQTDRSA-N 2 0 343.515 3.203 10 0 EGAERP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000552275321 315210559 /nfs/dbraw/zinc/21/05/59/315210559.db2.gz RPFJMOWYNQLLDF-XDNAFOTISA-N 2 0 332.488 3.173 10 0 EGAERP O[C@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(F)(F)F ZINC000570445089 317056699 /nfs/dbraw/zinc/05/66/99/317056699.db2.gz WGJTVDYZSQJXAV-MRXNPFEDSA-N 2 0 330.394 3.075 10 0 EGAERP COCC[NH2+]C1CCN([C@@H](C)c2ccc(OC(F)(F)F)cc2)CC1 ZINC000570808720 317111049 /nfs/dbraw/zinc/11/10/49/317111049.db2.gz XPRAPXJQLXFAHN-ZDUSSCGKSA-N 2 0 346.393 3.347 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941776 317130640 /nfs/dbraw/zinc/13/06/40/317130640.db2.gz KXLIHGOVCYNEAW-UXHICEINSA-N 2 0 336.483 3.004 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572049775 317283511 /nfs/dbraw/zinc/28/35/11/317283511.db2.gz YIUIGZFFGGQIIR-UYAOXDASSA-N 2 0 341.543 3.419 10 0 EGAERP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000174581974 323308094 /nfs/dbraw/zinc/30/80/94/323308094.db2.gz NOYQHGJZCBCHDQ-IEBWSBKVSA-N 2 0 345.531 3.443 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1Cc1nc(-c2ccccc2OCC[NH+](C)C)no1 ZINC000350590236 324098797 /nfs/dbraw/zinc/09/87/97/324098797.db2.gz DVKOTUAAOJBPCQ-GASCZTMLSA-N 2 0 344.459 3.050 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CCO1 ZINC000379767030 324242048 /nfs/dbraw/zinc/24/20/48/324242048.db2.gz JERMVCMLJNOZKS-SSSFQFABSA-N 2 0 328.500 3.444 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000312631753 456594251 /nfs/dbraw/zinc/59/42/51/456594251.db2.gz VBTJQQZFBSILSK-UHFFFAOYSA-N 2 0 336.332 3.171 10 0 EGAERP C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579699576 325146530 /nfs/dbraw/zinc/14/65/30/325146530.db2.gz VHCPDDPHNCDGAO-SESVDKBCSA-N 2 0 329.532 3.266 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000581012014 325320753 /nfs/dbraw/zinc/32/07/53/325320753.db2.gz OILAZEOATOFCIJ-KDOFPFPSSA-N 2 0 335.879 3.051 10 0 EGAERP C[C@H]1CC2(C[N@@H+]1Cc1csc(Br)c1)CC[NH2+]CC2 ZINC000424301072 458608848 /nfs/dbraw/zinc/60/88/48/458608848.db2.gz WWNIASPZWOBRMY-NSHDSACASA-N 2 0 329.307 3.475 10 0 EGAERP C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475601 460569736 /nfs/dbraw/zinc/56/97/36/460569736.db2.gz UDVXCUWPGVOEHH-GOEBONIOSA-N 2 0 328.460 3.303 10 0 EGAERP Cc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000623504169 460585193 /nfs/dbraw/zinc/58/51/93/460585193.db2.gz CCHYBIRHCNQCGM-MRXNPFEDSA-N 2 0 347.894 3.192 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507065 460587911 /nfs/dbraw/zinc/58/79/11/460587911.db2.gz WFPHUQSRVJDQQZ-RBUKOAKNSA-N 2 0 347.572 3.066 10 0 EGAERP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623534563 460599685 /nfs/dbraw/zinc/59/96/85/460599685.db2.gz UOIVRILXCZVGAL-AEFFLSMTSA-N 2 0 335.561 3.474 10 0 EGAERP C[C@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CC(=O)N1Cc1ccccc1 ZINC000089513096 454157512 /nfs/dbraw/zinc/15/75/12/454157512.db2.gz PTFVWTCJMQBSQT-LPHOPBHVSA-N 2 0 343.515 3.029 10 0 EGAERP c1ccc([C@@H]2CC[C@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000131677766 454275916 /nfs/dbraw/zinc/27/59/16/454275916.db2.gz MZZWZMAZOMUJRO-DSKINZAPSA-N 2 0 328.500 3.413 10 0 EGAERP Cc1ncc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)s1 ZINC000090418230 454303038 /nfs/dbraw/zinc/30/30/38/454303038.db2.gz PXRKFDIPIFTEAK-HNNXBMFYSA-N 2 0 336.549 3.052 10 0 EGAERP COc1cc([C@H](C)[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)ccc1F ZINC000090937007 454351669 /nfs/dbraw/zinc/35/16/69/454351669.db2.gz CHXRZCRKTXSPKX-AWEZNQCLSA-N 2 0 347.434 3.021 10 0 EGAERP COc1cc2c(c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c1)O[C@@H](C)C2 ZINC000134185933 454513670 /nfs/dbraw/zinc/51/36/70/454513670.db2.gz GNPSDKPMNOAZSA-INIZCTEOSA-N 2 0 344.499 3.326 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2 ZINC000092406286 454562392 /nfs/dbraw/zinc/56/23/92/454562392.db2.gz FIPOYGREGHVLNO-IBGZPJMESA-N 2 0 329.488 3.471 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000163138436 454826051 /nfs/dbraw/zinc/82/60/51/454826051.db2.gz CXJVQFQRAOXMEG-CYBMUJFWSA-N 2 0 330.398 3.092 10 0 EGAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000163437542 454847352 /nfs/dbraw/zinc/84/73/52/454847352.db2.gz IPAPABQIJAOBNH-TZMCWYRMSA-N 2 0 346.393 3.189 10 0 EGAERP COc1ccc(CN[C@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000126662741 454909442 /nfs/dbraw/zinc/90/94/42/454909442.db2.gz ZMLDRVOFIFOUJJ-UONOGXRCSA-N 2 0 326.387 3.013 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000151128442 454941819 /nfs/dbraw/zinc/94/18/19/454941819.db2.gz LPNUJNBHVFWLJM-HOCLYGCPSA-N 2 0 333.476 3.036 10 0 EGAERP COCc1cccc(C[N@@H+]2CC[C@@H](CN(C)Cc3cccnc3)C2)c1 ZINC000190479164 455328207 /nfs/dbraw/zinc/32/82/07/455328207.db2.gz UWPPSFSRGMCAMR-NRFANRHFSA-N 2 0 339.483 3.182 10 0 EGAERP C[N@@H+]1CCC[C@@H]2CN(Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610404 455339504 /nfs/dbraw/zinc/33/95/04/455339504.db2.gz BAHUKKAWOVEGBE-HUUCEWRRSA-N 2 0 330.501 3.189 10 0 EGAERP C[N@H+](C[C@H](O)CC1CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000190612933 455353060 /nfs/dbraw/zinc/35/30/60/455353060.db2.gz CQMRQSCWKLOEDZ-LEWJYISDSA-N 2 0 330.516 3.382 10 0 EGAERP C[C@@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000245718844 455364240 /nfs/dbraw/zinc/36/42/40/455364240.db2.gz OLNOIBMFDIAPQZ-OWYHZJEWSA-N 2 0 343.515 3.075 10 0 EGAERP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000182569844 455543481 /nfs/dbraw/zinc/54/34/81/455543481.db2.gz DPVUUWWHRFYCKC-OKCRPCIYSA-N 2 0 327.516 3.033 10 0 EGAERP CC(C)CSCCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182583508 455546844 /nfs/dbraw/zinc/54/68/44/455546844.db2.gz GNGWDOLTDATFPF-DFNIBXOVSA-N 2 0 339.593 3.009 10 0 EGAERP C[C@H](CCc1ccccc1)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182601047 455550894 /nfs/dbraw/zinc/55/08/94/455550894.db2.gz DWOSJXCCZDZSIS-VMSMKEMKSA-N 2 0 341.543 3.251 10 0 EGAERP Cc1ccccc1C(=O)NC1CC[NH+](CC[C@H]2CCCC[N@H+]2C)CC1 ZINC000268087790 455590881 /nfs/dbraw/zinc/59/08/81/455590881.db2.gz ICIQHQQQEOQJBS-LJQANCHMSA-N 2 0 343.515 3.064 10 0 EGAERP FC(F)Oc1cc(C[NH2+]C2CCN(Cc3ccccc3)CC2)ccn1 ZINC000284152334 455643978 /nfs/dbraw/zinc/64/39/78/455643978.db2.gz VSKPYUJTJVLPBM-UHFFFAOYSA-N 2 0 347.409 3.437 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000284415298 455682927 /nfs/dbraw/zinc/68/29/27/455682927.db2.gz QKRVGRJYQXIBQF-RCVZYCBYSA-N 2 0 346.515 3.014 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186215536 455717834 /nfs/dbraw/zinc/71/78/34/455717834.db2.gz GZNLHQGUDZEIGM-VQTJNVASSA-N 2 0 346.515 3.072 10 0 EGAERP Cc1ccc([C@H](O)C[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000268973612 455750610 /nfs/dbraw/zinc/75/06/10/455750610.db2.gz ITFHEEHQQHFIFA-AYOQOUSVSA-N 2 0 328.456 3.122 10 0 EGAERP C[C@@H]1c2ccc(F)cc2CCN1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606540411 460693601 /nfs/dbraw/zinc/69/36/01/460693601.db2.gz NARKVQWHTXTGHK-OXQOHEQNSA-N 2 0 342.458 3.238 10 0 EGAERP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000271879030 455797297 /nfs/dbraw/zinc/79/72/97/455797297.db2.gz OZRCXKBOVAVLAD-SXLOBPIMSA-N 2 0 330.516 3.284 10 0 EGAERP Cc1nccn1CCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000272436164 455950876 /nfs/dbraw/zinc/95/08/76/455950876.db2.gz RPMDJPYQMJHTCO-MZADTFQBSA-N 2 0 338.499 3.367 10 0 EGAERP C[C@@H]1CN(c2ccccc2C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000297318108 456184119 /nfs/dbraw/zinc/18/41/19/456184119.db2.gz CCKCBKWLBQTTTE-VOBGVNJCSA-N 2 0 343.515 3.017 10 0 EGAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000297414539 456215000 /nfs/dbraw/zinc/21/50/00/456215000.db2.gz YNPVNDIGBRNQOH-HXUWFJFHSA-N 2 0 348.450 3.005 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2cc(C)c(O)c(C)c2)[C@@H](C)C1 ZINC000290230564 456271605 /nfs/dbraw/zinc/27/16/05/456271605.db2.gz FUPCBUVUBKBGSC-HKUYNNGSSA-N 2 0 334.504 3.236 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000291172159 456554033 /nfs/dbraw/zinc/55/40/33/456554033.db2.gz NJNSXPORWCZAQN-NHCUHLMSSA-N 2 0 327.516 3.033 10 0 EGAERP CC(C)n1cc(C[N@@H+]2CCC[C@H](c3ncc4n3CCCC4)C2)cn1 ZINC000282740197 456609117 /nfs/dbraw/zinc/60/91/17/456609117.db2.gz NDIGSSWJOYPQTJ-KRWDZBQOSA-N 2 0 327.476 3.376 10 0 EGAERP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353401053 456677032 /nfs/dbraw/zinc/67/70/32/456677032.db2.gz HFUCRYSNPVNFFO-KCUHQSDYSA-N 2 0 343.515 3.177 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@H]2CCC[C@H]21 ZINC000353432400 456695840 /nfs/dbraw/zinc/69/58/40/456695840.db2.gz BRFDELLZBVGYFZ-XMTFNYHQSA-N 2 0 333.545 3.347 10 0 EGAERP OC[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000353485135 456707243 /nfs/dbraw/zinc/70/72/43/456707243.db2.gz SOXGHUXQXZFDSG-OTYNDTSQSA-N 2 0 328.500 3.323 10 0 EGAERP CC[NH+]1CCN(c2ccc(CNc3ccc4ccccc4n3)cn2)CC1 ZINC000301112979 456799754 /nfs/dbraw/zinc/79/97/54/456799754.db2.gz SNPLLRSIHNIJFH-UHFFFAOYSA-N 2 0 347.466 3.384 10 0 EGAERP CC[C@H]1C[C@@H](C[NH2+]Cc2ccc(OC3CC[NH+](C)CC3)cc2)CCO1 ZINC000341272759 456828475 /nfs/dbraw/zinc/82/84/75/456828475.db2.gz PRLUGKGEOSBSHZ-OALUTQOASA-N 2 0 346.515 3.454 10 0 EGAERP C[NH+](C)CCN(Cc1nccn1Cc1ccccc1)C1CCCC1 ZINC000342400539 457281715 /nfs/dbraw/zinc/28/17/15/457281715.db2.gz VADKXOIEVZKFGN-UHFFFAOYSA-N 2 0 326.488 3.238 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)CC1CCCC1 ZINC000397983654 457494448 /nfs/dbraw/zinc/49/44/48/457494448.db2.gz NNFSIMSXIUGJTB-QMMLZNLJSA-N 2 0 330.516 3.428 10 0 EGAERP CS[C@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000425349722 457511732 /nfs/dbraw/zinc/51/17/32/457511732.db2.gz LCZWJNXWPDOGTE-OALUTQOASA-N 2 0 333.545 3.072 10 0 EGAERP CCCCOC(=O)[C@@H](C)N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000374320158 457583823 /nfs/dbraw/zinc/58/38/23/457583823.db2.gz GCUIBDKWGPAFDC-CVEARBPZSA-N 2 0 333.476 3.131 10 0 EGAERP CC(C)[C@H]1C[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CS1 ZINC000364862676 457708779 /nfs/dbraw/zinc/70/87/79/457708779.db2.gz RIKKQWZITKIRMJ-ZWKOTPCHSA-N 2 0 339.593 3.056 10 0 EGAERP C[C@H](c1ccccc1)N1CCN(C(=O)C[N@@H+]2CCC[C@@H](C)[C@H]2C)CC1 ZINC000357913203 457732392 /nfs/dbraw/zinc/73/23/92/457732392.db2.gz HBXPYOIRKZJAQX-GUDVDZBRSA-N 2 0 343.515 3.012 10 0 EGAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)on1 ZINC000367592764 457965231 /nfs/dbraw/zinc/96/52/31/457965231.db2.gz FFUCRYZCBYXHPO-HMXCVIKNSA-N 2 0 339.483 3.416 10 0 EGAERP C[NH+](C)[C@H](CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543920 458308032 /nfs/dbraw/zinc/30/80/32/458308032.db2.gz UBTUVTDLIWIWJC-PLACYPQZSA-N 2 0 327.516 3.112 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)cc1 ZINC000372765976 458331475 /nfs/dbraw/zinc/33/14/75/458331475.db2.gz KGQGDRFAPFSQMG-CEWLAPEOSA-N 2 0 346.515 3.312 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423476409 458438628 /nfs/dbraw/zinc/43/86/28/458438628.db2.gz JBDMYMQUPZAEOR-ICSRJNTNSA-N 3 0 329.532 3.204 10 0 EGAERP Cc1ccc2c(c1)OCCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423499405 458443635 /nfs/dbraw/zinc/44/36/35/458443635.db2.gz AVSOJSZKFVFSJO-QLOJAFMTSA-N 2 0 343.515 3.015 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000430680408 458479512 /nfs/dbraw/zinc/47/95/12/458479512.db2.gz SKUMMXNLLISDOO-YSIASYRMSA-N 2 0 343.515 3.030 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2CC([NH+]3CCCCC3)C2)C1 ZINC000373465516 458500593 /nfs/dbraw/zinc/50/05/93/458500593.db2.gz LJIIKHYRKCUUSO-GUSVMJMASA-N 2 0 327.516 3.428 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCCOc1ccccc1 ZINC000438113958 458535080 /nfs/dbraw/zinc/53/50/80/458535080.db2.gz CYMFNZNIDVYVTB-RLLQIKCJSA-N 2 0 332.488 3.029 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCC[N@@H+]2CCCCOc1ccccc1 ZINC000438113959 458535985 /nfs/dbraw/zinc/53/59/85/458535985.db2.gz CYMFNZNIDVYVTB-YZGWKJHDSA-N 2 0 332.488 3.029 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NCc1ccccc1C[NH+]1CCCC1 ZINC000431600621 458594001 /nfs/dbraw/zinc/59/40/01/458594001.db2.gz QCUOZQVJCBUJGF-FQEVSTJZSA-N 2 0 343.515 3.163 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367731 458626774 /nfs/dbraw/zinc/62/67/74/458626774.db2.gz NOTAPZIWNVLEQO-COLVAYQJSA-N 2 0 329.257 3.379 10 0 EGAERP CC[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)C1 ZINC000462789817 458653838 /nfs/dbraw/zinc/65/38/38/458653838.db2.gz SKHJPSMWMITZPS-QGZVFWFLSA-N 2 0 332.488 3.463 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@@H]4CC[NH2+]C45CCC5)[C@H]3C2)cc1 ZINC000530215501 458719997 /nfs/dbraw/zinc/71/99/97/458719997.db2.gz GQZPCCFNESNERN-XSDIEEQYSA-N 3 0 339.527 3.161 10 0 EGAERP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000530224830 458723236 /nfs/dbraw/zinc/72/32/36/458723236.db2.gz MNQCZWQTLSJSKO-LYRGGWFBSA-N 2 0 330.303 3.326 10 0 EGAERP Clc1ccc(CCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239965 458727270 /nfs/dbraw/zinc/72/72/70/458727270.db2.gz JITBCVPUDANJIJ-LJQANCHMSA-N 2 0 336.907 3.363 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@H]2CCC(=O)NC2(C)C)C1 ZINC000494885838 458761694 /nfs/dbraw/zinc/76/16/94/458761694.db2.gz KDRDTKFKRAJQBN-APWZRJJASA-N 2 0 343.515 3.065 10 0 EGAERP CCCC[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000555774130 458910370 /nfs/dbraw/zinc/91/03/70/458910370.db2.gz UBMJNVAZUQTBBW-UHFFFAOYSA-N 2 0 335.536 3.164 10 0 EGAERP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)ccc1OC ZINC000556868434 459024152 /nfs/dbraw/zinc/02/41/52/459024152.db2.gz PSILRYMRTHDLAN-QRVBRYPASA-N 2 0 346.515 3.489 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)[C@@H]2CCC[C@H]21 ZINC000556871894 459025901 /nfs/dbraw/zinc/02/59/01/459025901.db2.gz NEDUEFYXBMHSOY-BHYGNILZSA-N 2 0 337.305 3.454 10 0 EGAERP C[C@H]([NH2+]CC1([NH3+])CCCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000520216664 459039291 /nfs/dbraw/zinc/03/92/91/459039291.db2.gz KQTFUUFUOHIIIO-AZUAARDMSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)NC[C@H]1CSc2ccccc2O1 ZINC000577611569 459061002 /nfs/dbraw/zinc/06/10/02/459061002.db2.gz MRQITVUXVRPTIE-XIRDDKMYSA-N 2 0 328.481 3.088 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)CCC2 ZINC000594521336 459078575 /nfs/dbraw/zinc/07/85/75/459078575.db2.gz PEKQUPJNBVYPEV-KXBFYZLASA-N 2 0 330.472 3.172 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000567381835 459097456 /nfs/dbraw/zinc/09/74/56/459097456.db2.gz NBBPYDXCWTUHKZ-FVVAQGSASA-N 2 0 326.444 3.273 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578049449 459138659 /nfs/dbraw/zinc/13/86/59/459138659.db2.gz CWAOEGCQSIOBGI-GOSISDBHSA-N 2 0 344.503 3.325 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000595007375 459213007 /nfs/dbraw/zinc/21/30/07/459213007.db2.gz IFFLENLAPVCLBO-CQSZACIVSA-N 2 0 338.467 3.345 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000595013554 459215332 /nfs/dbraw/zinc/21/53/32/459215332.db2.gz JRDWZDMXLTVRNR-MRXNPFEDSA-N 2 0 347.503 3.256 10 0 EGAERP COC(=O)CCC[C@@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000559301640 459250309 /nfs/dbraw/zinc/25/03/09/459250309.db2.gz FJKAPUMDDLUAMM-YXWAVELNSA-N 2 0 336.520 3.495 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000560521480 459364698 /nfs/dbraw/zinc/36/46/98/459364698.db2.gz RZVZJUCKEZOWTN-XSDIEEQYSA-N 2 0 327.516 3.286 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000582841669 459437521 /nfs/dbraw/zinc/43/75/21/459437521.db2.gz UTNSCDJKUXLDQG-LJQANCHMSA-N 2 0 346.515 3.014 10 0 EGAERP C[NH+](C)CC(C)(C)CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582904330 459449655 /nfs/dbraw/zinc/44/96/55/459449655.db2.gz MVGVHOWXXICTJI-IBGZPJMESA-N 2 0 329.532 3.361 10 0 EGAERP Cc1cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000486030654 459484275 /nfs/dbraw/zinc/48/42/75/459484275.db2.gz SVFUTXYSYOGDNF-BETUJISGSA-N 2 0 333.382 3.142 10 0 EGAERP CC1=CCC[C@@H](C)[C@H]1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000583463408 459542891 /nfs/dbraw/zinc/54/28/91/459542891.db2.gz AAPWKACJTZZKGK-MJGOQNOKSA-N 2 0 331.504 3.494 10 0 EGAERP C[NH+]1CCN(c2ccc(C(F)(F)F)cc2C[NH2+]CC2(F)CC2)CC1 ZINC000527529098 459655686 /nfs/dbraw/zinc/65/56/86/459655686.db2.gz KMUJWZPGMLEHTB-UHFFFAOYSA-N 2 0 345.384 3.049 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592529 459672825 /nfs/dbraw/zinc/67/28/25/459672825.db2.gz WSMZRXOVSUUUHE-DOTOQJQBSA-N 2 0 329.513 3.312 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000584752517 459794713 /nfs/dbraw/zinc/79/47/13/459794713.db2.gz ZPVBGMGNYFDHNN-SFHVURJKSA-N 2 0 331.548 3.142 10 0 EGAERP Cc1ncc(CN2Cc3ccccc3[C@@H](C(=O)OC(C)(C)C)C2)n1C ZINC000597173556 459861975 /nfs/dbraw/zinc/86/19/75/459861975.db2.gz JZFUICPCAQWOBX-SFHVURJKSA-N 2 0 341.455 3.170 10 0 EGAERP CCCc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)s1 ZINC000621727717 460032860 /nfs/dbraw/zinc/03/28/60/460032860.db2.gz NFTYMLSIIUQGQT-JWTNVVGKSA-N 2 0 347.572 3.443 10 0 EGAERP CCO[C@@H](C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CC1 ZINC000625286280 460107703 /nfs/dbraw/zinc/10/77/03/460107703.db2.gz UBJDEEXFYDQELC-FQEVSTJZSA-N 2 0 331.504 3.435 10 0 EGAERP Cc1cc(C)n(-c2ccc(CC[NH2+][C@H]3CC[N@@H+](C)C(C)(C)C3)cc2)n1 ZINC000623358272 460510033 /nfs/dbraw/zinc/51/00/33/460510033.db2.gz WPJCLSXTKZPFGT-IBGZPJMESA-N 2 0 340.515 3.494 10 0 EGAERP C[N@@H+]1CC[C@@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1(C)C ZINC000623413867 460534899 /nfs/dbraw/zinc/53/48/99/460534899.db2.gz KWDFLCRFAMIVAR-LJQANCHMSA-N 2 0 345.531 3.124 10 0 EGAERP C[C@H]([NH2+][C@@]1(CO)CCCN(Cc2ccccc2)C1)[C@@H]1C[C@H]1C1CC1 ZINC000623421627 460539269 /nfs/dbraw/zinc/53/92/69/460539269.db2.gz TYXKYOFFEGKLJX-FIRPJDEBSA-N 2 0 328.500 3.038 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2([NH3+])CCOCC2)c2cccc(Br)c21 ZINC000629519607 460793226 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EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cc3c(cc2OC)C[C@@H](C)O3)CC1 ZINC000608061888 460974822 /nfs/dbraw/zinc/97/48/22/460974822.db2.gz CBQNIBPDWIZQJB-OAHLLOKOSA-N 2 0 332.488 3.230 10 0 EGAERP O[C@H]1CC[N@@H+](C2CC[NH+](CCCCc3cccc(Cl)c3)CC2)C1 ZINC000621322219 460987116 /nfs/dbraw/zinc/98/71/16/460987116.db2.gz NWJAYIVWGPIDAI-IBGZPJMESA-N 2 0 336.907 3.194 10 0 EGAERP CCC[N@H+](C)CC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1 ZINC000617866389 461007803 /nfs/dbraw/zinc/00/78/03/461007803.db2.gz KVSCZNQVBMSXIF-UHFFFAOYSA-N 2 0 346.500 3.171 10 0 EGAERP c1cc(C[N@@H+]2CCC[C@H]2c2ccc3c(c2)OCO3)c2c(c1)C[NH2+]CC2 ZINC000662255806 461144342 /nfs/dbraw/zinc/14/43/42/461144342.db2.gz DQEVOZZGTAWOKA-IBGZPJMESA-N 2 0 336.435 3.398 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1)c1cc(F)c(Cl)cc1Cl ZINC000662280823 461162883 /nfs/dbraw/zinc/16/28/83/461162883.db2.gz GBQMUBRVDPRWTE-UWVGGRQHSA-N 2 0 333.234 3.304 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000662284224 461165879 /nfs/dbraw/zinc/16/58/79/461165879.db2.gz GGMFGOWPGJXTFV-KYJSFNMBSA-N 2 0 338.492 3.136 10 0 EGAERP COc1cccc(SCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296403 461176320 /nfs/dbraw/zinc/17/63/20/461176320.db2.gz ZOLHVZUBVMWHSD-QGZVFWFLSA-N 2 0 334.529 3.499 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cc3n(n2)CCC3)CC1)CC1CC1 ZINC000649572703 461185676 /nfs/dbraw/zinc/18/56/76/461185676.db2.gz GOHSECFJQMGCAN-UHFFFAOYSA-N 2 0 330.520 3.163 10 0 EGAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000659288665 461275340 /nfs/dbraw/zinc/27/53/40/461275340.db2.gz NBZGEZUDZITELM-NRFANRHFSA-N 2 0 349.478 3.498 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C[C@H](C)O1 ZINC000668625666 461358128 /nfs/dbraw/zinc/35/81/28/461358128.db2.gz XSLDTYJYQSDCDZ-MSOLQXFVSA-N 2 0 332.488 3.161 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC([C@H]2CCCCO2)CC1 ZINC000668626899 461358765 /nfs/dbraw/zinc/35/87/65/461358765.db2.gz AQHZCVAGOSTYPZ-HXUWFJFHSA-N 2 0 340.471 3.357 10 0 EGAERP C[C@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000655719662 461389014 /nfs/dbraw/zinc/38/90/14/461389014.db2.gz USUUXQCUTMPQLD-YJBOKZPZSA-N 2 0 334.529 3.017 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634119906 461422796 /nfs/dbraw/zinc/42/27/96/461422796.db2.gz BKYRLAOKXAYNMU-UHFFFAOYSA-N 2 0 325.541 3.221 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000655802521 461463573 /nfs/dbraw/zinc/46/35/73/461463573.db2.gz FEDQZGWKSCBIER-PPGORRQASA-N 3 0 341.543 3.359 10 0 EGAERP CO[C@H](C[NH+]1CCC(CC[NH+]2CCOCC2)CC1)C1CCCCC1 ZINC000659861419 461464230 /nfs/dbraw/zinc/46/42/30/461464230.db2.gz VOPFTQDZXZMHHQ-HXUWFJFHSA-N 2 0 338.536 3.016 10 0 EGAERP CCOc1c(Cl)cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1OC ZINC000655825567 461479796 /nfs/dbraw/zinc/47/97/96/461479796.db2.gz HVKKSVUNFJOCEG-XBXGTLAGSA-N 2 0 326.868 3.177 10 0 EGAERP COc1ccc(-c2ccncc2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827771 461482814 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349.482 3.397 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C2CCC(C(C)(C)C)CC2)CC1 ZINC000663504844 461676287 /nfs/dbraw/zinc/67/62/87/461676287.db2.gz ARCZJUBLKFMDCG-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2ccccn2)cc1 ZINC000656403336 461736290 /nfs/dbraw/zinc/73/62/90/461736290.db2.gz IQAVIUYPEFASSJ-SNJCGAMXSA-N 2 0 347.506 3.467 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CCOC3CCC3)C2)cc1 ZINC000656407182 461736588 /nfs/dbraw/zinc/73/65/88/461736588.db2.gz RAEZBDWCZOMFAO-QESAQDPVSA-N 2 0 340.511 3.398 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522514 461751861 /nfs/dbraw/zinc/75/18/61/461751861.db2.gz OJMDYUHVOUWPRG-ZFWWWQNUSA-N 2 0 339.277 3.395 10 0 EGAERP COc1cc2cc[nH+]c(N3CCC[C@H]([NH+](C)C)CC3)c2cc1OC ZINC000663844495 461833469 /nfs/dbraw/zinc/83/34/69/461833469.db2.gz WQXQFNQNKLJEQQ-HNNXBMFYSA-N 2 0 329.444 3.173 10 0 EGAERP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647789775 461835334 /nfs/dbraw/zinc/83/53/34/461835334.db2.gz LGRZXXQIKZVBLN-DYNIEEOBSA-N 2 0 327.255 3.405 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[NH2+]CC1 ZINC000666857941 461838762 /nfs/dbraw/zinc/83/87/62/461838762.db2.gz QOGTZIXGLKKBLX-SMDDNHRTSA-N 2 0 329.257 3.251 10 0 EGAERP c1ccc(N2CC[C@H](C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000639337734 461868504 /nfs/dbraw/zinc/86/85/04/461868504.db2.gz OKVPDLVUBLFFGO-VQTJNVASSA-N 2 0 327.516 3.225 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(F)c1 ZINC000650719520 461911036 /nfs/dbraw/zinc/91/10/36/461911036.db2.gz SIIAZKGHIMMANP-AWEZNQCLSA-N 2 0 329.419 3.052 10 0 EGAERP c1nc([C@@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000647991496 461927059 /nfs/dbraw/zinc/92/70/59/461927059.db2.gz CLOBTPDVEOBACW-GOSISDBHSA-N 2 0 330.520 3.179 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000650745550 461929137 /nfs/dbraw/zinc/92/91/37/461929137.db2.gz JFCYGZAJMSSGAA-CQSZACIVSA-N 2 0 339.277 3.381 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCc3c2ccc(F)c3Br)CC1 ZINC000650746561 461930095 /nfs/dbraw/zinc/93/00/95/461930095.db2.gz FOERXBPAWGTKEU-CYBMUJFWSA-N 2 0 327.241 3.294 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)[C@H](C)C1 ZINC000648009984 461936846 /nfs/dbraw/zinc/93/68/46/461936846.db2.gz FZLXNFTUESNNIG-RHSMWYFYSA-N 2 0 330.476 3.151 10 0 EGAERP CCN(CC)[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657286814 462017419 /nfs/dbraw/zinc/01/74/19/462017419.db2.gz RUWLHUHSZOKKIF-OAQYLSRUSA-N 2 0 349.482 3.440 10 0 EGAERP c1cc(CNC2CC[NH+](CC3CCCC3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657335535 462054826 /nfs/dbraw/zinc/05/48/26/462054826.db2.gz GDWLOWWCGGBOMJ-UHFFFAOYSA-N 2 0 339.487 3.012 10 0 EGAERP COc1ccc(C2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)CCC2)cc1 ZINC000657432785 462120127 /nfs/dbraw/zinc/12/01/27/462120127.db2.gz KDBJHTXVLVRNEI-UHFFFAOYSA-N 2 0 348.450 3.487 10 0 EGAERP c1ccc2c(c1)CCC[C@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000648457655 462128574 /nfs/dbraw/zinc/12/85/74/462128574.db2.gz WZDZQPSOMQHCGC-UWJYYQICSA-N 2 0 328.500 3.025 10 0 EGAERP CC(C)(C)OC1CC(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657449357 462132340 /nfs/dbraw/zinc/13/23/40/462132340.db2.gz VYQFAZFKULEXDA-UHFFFAOYSA-N 2 0 328.460 3.341 10 0 EGAERP Fc1cncc(Br)c1CN1CCC[C@H](n2ccnc2)C1 ZINC000667587107 462159330 /nfs/dbraw/zinc/15/93/30/462159330.db2.gz HEEOGCCQSKDBDC-NSHDSACASA-N 2 0 339.212 3.017 10 0 EGAERP c1ccc2c(c1)OCC[C@H]2C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535370 462170482 /nfs/dbraw/zinc/17/04/82/462170482.db2.gz MCYPJFWKJCNZDC-SFHVURJKSA-N 2 0 344.499 3.033 10 0 EGAERP CC(=O)NCc1ccc(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)cc1 ZINC000657543594 462176286 /nfs/dbraw/zinc/17/62/86/462176286.db2.gz FUTNKOYCPTXDFF-UHFFFAOYSA-N 2 0 343.515 3.209 10 0 EGAERP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000657593627 462194454 /nfs/dbraw/zinc/19/44/54/462194454.db2.gz AVGDSGIHJVNSMN-ZTNFWEORSA-N 2 0 340.467 3.259 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccc1F ZINC000657596449 462196023 /nfs/dbraw/zinc/19/60/23/462196023.db2.gz NGKMHEZPWRRCNZ-QAPCUYQASA-N 2 0 328.431 3.243 10 0 EGAERP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595364 462196249 /nfs/dbraw/zinc/19/62/49/462196249.db2.gz HEGSUDDYEYHNTK-WMQCIHAUSA-N 2 0 328.500 3.335 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)C1 ZINC000657596203 462196711 /nfs/dbraw/zinc/19/67/11/462196711.db2.gz MCUGSKHOSMHBPN-HXUWFJFHSA-N 2 0 336.435 3.289 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)C1 ZINC000657594357 462197700 /nfs/dbraw/zinc/19/77/00/462197700.db2.gz PKJHRKHYBOXEAC-IBGZPJMESA-N 2 0 330.859 3.196 10 0 EGAERP C[C@@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597679 462198663 /nfs/dbraw/zinc/19/86/63/462198663.db2.gz WLGZZXYWYWNLBT-HRAATJIYSA-N 2 0 342.458 3.113 10 0 EGAERP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000667704379 462222998 /nfs/dbraw/zinc/22/29/98/462222998.db2.gz IDESPIYYXBXPFK-QZTJIDSGSA-N 2 0 326.444 3.047 10 0 EGAERP CC[C@@H]1C[C@@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774131 462261151 /nfs/dbraw/zinc/26/11/51/462261151.db2.gz XHFAQBRQBBZDQQ-XUVXKRRUSA-N 2 0 328.500 3.446 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@H]1CCOC1(C)C)C1CC[NH+](C)CC1 ZINC000657785783 462264984 /nfs/dbraw/zinc/26/49/84/462264984.db2.gz NVVPXSOBCZYALJ-GOSISDBHSA-N 2 0 345.531 3.122 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657907026 462312986 /nfs/dbraw/zinc/31/29/86/462312986.db2.gz DYBBBMUUQOJXSA-LMMKCTJWSA-N 2 0 328.500 3.444 10 0 EGAERP C[NH+](C)C1CCN(c2ccc(N[C@H]3CCCSCC3)nc2)CC1 ZINC000657949746 462327146 /nfs/dbraw/zinc/32/71/46/462327146.db2.gz LQCSHJHIZKZLPT-HNNXBMFYSA-N 2 0 334.533 3.310 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000658063631 462363618 /nfs/dbraw/zinc/36/36/18/462363618.db2.gz KQVSPFQOJMXREC-IRXDYDNUSA-N 2 0 327.472 3.476 10 0 EGAERP COc1ccsc1[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069260 462365880 /nfs/dbraw/zinc/36/58/80/462365880.db2.gz FAGIIFAWYFLWGR-AWEZNQCLSA-N 2 0 338.517 3.298 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc3ccccc3o2)CC1 ZINC000665285689 462384723 /nfs/dbraw/zinc/38/47/23/462384723.db2.gz UGQFRXCCSZSNLJ-HNNXBMFYSA-N 2 0 343.471 3.074 10 0 EGAERP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)COCc1ccccc1 ZINC000658130356 462396664 /nfs/dbraw/zinc/39/66/64/462396664.db2.gz OGCKGKHGUWJWAU-XRXFAXGQSA-N 2 0 346.515 3.071 10 0 EGAERP C[C@@H](CCc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143025 462404776 /nfs/dbraw/zinc/40/47/76/462404776.db2.gz GBDGLUVGURNLMR-PGRDOPGGSA-N 2 0 338.495 3.364 10 0 EGAERP C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658143028 462405352 /nfs/dbraw/zinc/40/53/52/462405352.db2.gz GBDGLUVGURNLMR-XMSQKQJNSA-N 2 0 338.495 3.364 10 0 EGAERP OCC1(CC[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000652037638 462412263 /nfs/dbraw/zinc/41/22/63/462412263.db2.gz VPERNQYOAMQLIU-IBGZPJMESA-N 2 0 328.500 3.326 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCOC1 ZINC000658319487 462474676 /nfs/dbraw/zinc/47/46/76/462474676.db2.gz CKYQCKLTLLMHFI-DFQSSKMNSA-N 2 0 328.500 3.303 10 0 EGAERP CC(=O)N1CC[C@@H]([NH2+]CCC[N@@H+](C)CC(C)C)c2ccccc2C1 ZINC000652222803 462478097 /nfs/dbraw/zinc/47/80/97/462478097.db2.gz YIQCVIHXBOEFQJ-HXUWFJFHSA-N 2 0 331.504 3.047 10 0 EGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339164 462480894 /nfs/dbraw/zinc/48/08/94/462480894.db2.gz QTNZHIJCBZBLIG-PKOBYXMFSA-N 2 0 349.563 3.445 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652246186 462488066 /nfs/dbraw/zinc/48/80/66/462488066.db2.gz MSTCUVGFOQYGIQ-KKSFZXQISA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H](O)[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361146 462489736 /nfs/dbraw/zinc/48/97/36/462489736.db2.gz KWTAOAPDJWMGPB-FIKGOQFSSA-N 2 0 342.483 3.400 10 0 EGAERP CC[NH+]1CCN([C@@H]2CCN(c3c(C)c[nH+]c4c(C)cccc43)C2)CC1 ZINC000185302164 529151336 /nfs/dbraw/zinc/15/13/36/529151336.db2.gz HNBUJUVMXWQQPM-GOSISDBHSA-N 2 0 338.499 3.068 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@H]2CCC[C@@H]21 ZINC000671744381 548351458 /nfs/dbraw/zinc/35/14/58/548351458.db2.gz BGRUSAHBBNQZLR-LRSLUSHPSA-N 2 0 341.543 3.361 10 0 EGAERP Cc1csc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000675744342 548972668 /nfs/dbraw/zinc/97/26/68/548972668.db2.gz QHHSDFKKTRCMFD-QAPCUYQASA-N 2 0 329.513 3.494 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](OCC)C2)CC1 ZINC000676414310 549085061 /nfs/dbraw/zinc/08/50/61/549085061.db2.gz TYCAMROMZSURSU-FQEVSTJZSA-N 2 0 345.531 3.220 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000680887249 549923199 /nfs/dbraw/zinc/92/31/99/549923199.db2.gz HZCUXFNCTVKMEA-KRWDZBQOSA-N 2 0 325.456 3.153 10 0 EGAERP C[C@H]1[C@@H](C(F)(F)F)CC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684410900 550326728 /nfs/dbraw/zinc/32/67/28/550326728.db2.gz COIKAJMACYNKNT-BBRMVZONSA-N 2 0 330.394 3.400 10 0 EGAERP CCC[NH+]1CCC([NH2+]CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000397875395 1297705384 /nfs/dbraw/zinc/70/53/84/1297705384.db2.gz HNZICXFGTLYXMO-UHFFFAOYSA-N 2 0 327.513 3.145 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+]Cc2ccc(Cl)cc2Cl)CC1 ZINC000078893292 1292533606 /nfs/dbraw/zinc/53/36/06/1292533606.db2.gz HXJVJJOBOIFLFX-UHFFFAOYSA-N 2 0 330.303 3.109 10 0 EGAERP C[C@@H]1C[C@H](N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119369945 1293267385 /nfs/dbraw/zinc/26/73/85/1293267385.db2.gz DQULKTWGRDDRJW-TZIWHRDSSA-N 2 0 329.532 3.457 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000131183138 1293681957 /nfs/dbraw/zinc/68/19/57/1293681957.db2.gz WEXVCVRICVMNPF-NRFANRHFSA-N 2 0 329.532 3.361 10 0 EGAERP Cc1ccccc1C[NH+]1CCC2(CC1)CCC(O)(C[NH+](C)C)CC2 ZINC000257186752 1296582945 /nfs/dbraw/zinc/58/29/45/1296582945.db2.gz KSKUBSNXAXMTPK-UHFFFAOYSA-N 2 0 330.516 3.444 10 0 EGAERP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000872086735 1296724958 /nfs/dbraw/zinc/72/49/58/1296724958.db2.gz XKKCJAVSCLVVCF-IRXDYDNUSA-N 2 0 344.421 3.464 10 0 EGAERP C[C@@H]1C[C@H](N(C[C@@H]2CCC[NH2+]C2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000302606013 1296802636 /nfs/dbraw/zinc/80/26/36/1296802636.db2.gz JWIXXOAWGLOJFT-QFUCXCTJSA-N 2 0 327.516 3.113 10 0 EGAERP c1cc(N2CCC(CCC[NH+]3CCOCC3)CC2)c(C2CC2)c[nH+]1 ZINC000872504137 1296984487 /nfs/dbraw/zinc/98/44/87/1296984487.db2.gz FIPIOVUFYLFTOI-UHFFFAOYSA-N 2 0 329.488 3.288 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+][C@@H]2CCN(C(=O)OC(C)(C)C)CC2(C)C)CC1 ZINC000389808941 1297612863 /nfs/dbraw/zinc/61/28/63/1297612863.db2.gz MBHWFDSZUNNDMG-HZPDHXFCSA-N 2 0 339.524 3.096 10 0 EGAERP c1ccc(CN2C[C@H]3[C@@H](C2)[C@@H]3[NH2+]C2CCN(c3ccccc3)CC2)cc1 ZINC000398331163 1297718374 /nfs/dbraw/zinc/71/83/74/1297718374.db2.gz AJQYLKVMGWYCOT-JKHIJQBDSA-N 2 0 347.506 3.375 10 0 EGAERP C[C@H]1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)CN1C(=O)OC(C)(C)C ZINC000399092258 1297724449 /nfs/dbraw/zinc/72/44/49/1297724449.db2.gz UJZASENSNGYBTA-IRXDYDNUSA-N 2 0 339.524 3.240 10 0 EGAERP C[NH+]1CCC2(CC1)CC[NH+](Cc1ccncc1Br)CC2 ZINC000702909192 1298197230 /nfs/dbraw/zinc/19/72/30/1298197230.db2.gz YXWPBROUUOHQFX-UHFFFAOYSA-N 2 0 338.293 3.152 10 0 EGAERP Cc1ccc(C[N@H+](C)CC2CC[NH+](Cc3ccccc3)CC2)c(N)n1 ZINC000719967427 1298324757 /nfs/dbraw/zinc/32/47/57/1298324757.db2.gz GNAFOEOZFYFNHJ-UHFFFAOYSA-N 2 0 338.499 3.316 10 0 EGAERP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C[C@H]4C[C@]45CCOC5)C3)C2)cc1 ZINC000886030320 1303325674 /nfs/dbraw/zinc/32/56/74/1303325674.db2.gz JCXFJYHRGOODEN-FSSWDIPSSA-N 2 0 340.511 3.401 10 0 EGAERP c1cc2c(c(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C4CC4)C3)n1)CCCC2 ZINC000892235146 1305289964 /nfs/dbraw/zinc/28/99/64/1305289964.db2.gz LDIHYGLEHSLBKH-DYESRHJHSA-N 2 0 325.500 3.409 10 0 EGAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000897235588 1310235514 /nfs/dbraw/zinc/23/55/14/1310235514.db2.gz ZCHOJPTULJAORZ-OAQYLSRUSA-N 2 0 337.467 3.344 10 0 EGAERP C(C[NH+]1CCC(C[NH+]2CCCCCC2)CC1)OC1CCSCC1 ZINC000929260841 1328550748 /nfs/dbraw/zinc/55/07/48/1328550748.db2.gz FIVQGYKBIQCEDS-UHFFFAOYSA-N 2 0 340.577 3.487 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858111863 1328685659 /nfs/dbraw/zinc/68/56/59/1328685659.db2.gz WHJXEFDMPUPULJ-CVEARBPZSA-N 2 0 339.524 3.238 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858131566 1328690179 /nfs/dbraw/zinc/69/01/79/1328690179.db2.gz ZKRRBEOQJIOAAT-HOTGVXAUSA-N 2 0 339.524 3.096 10 0 EGAERP Cc1cc(C)c(N2CC[C@H](N[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159702 1328698736 /nfs/dbraw/zinc/69/87/36/1328698736.db2.gz CDXASKZBGNSVMW-MSOLQXFVSA-N 2 0 343.515 3.180 10 0 EGAERP FC1(F)[C@@H](C[NH+]2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1ccccc1 ZINC000929837961 1328717068 /nfs/dbraw/zinc/71/70/68/1328717068.db2.gz YSJIXHRSKDTITO-ROUUACIJSA-N 2 0 329.394 3.253 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000858506162 1328783368 /nfs/dbraw/zinc/78/33/68/1328783368.db2.gz SAQMPHUXWKVMNG-DBVUQKKJSA-N 2 0 342.483 3.139 10 0 EGAERP Cn1nc2c(c1C[NH2+]C1CCC(C)([NH+]3CCCC3)CC1)CSCC2 ZINC000922505607 1322544391 /nfs/dbraw/zinc/54/43/91/1322544391.db2.gz UOQGZLUCPKAUPZ-UHFFFAOYSA-N 2 0 348.560 3.096 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@@]1(C)CCCCO1)C1CC[NH+](C)CC1 ZINC000922820095 1322626728 /nfs/dbraw/zinc/62/67/28/1322626728.db2.gz OEYYBMMUEXSWIP-OAQYLSRUSA-N 2 0 345.531 3.266 10 0 EGAERP C(C[N@@H+]1CCC[C@H](C[NH+]2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323145 1322734221 /nfs/dbraw/zinc/73/42/21/1322734221.db2.gz CZIRWCNSLPMZIV-VKEMMKHGSA-N 3 0 333.564 3.495 10 0 EGAERP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000923364336 1322740851 /nfs/dbraw/zinc/74/08/51/1322740851.db2.gz MJHDJPDKNNQLEG-BDTNDASRSA-N 2 0 338.495 3.207 10 0 EGAERP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)cs2)c1 ZINC000923502900 1322764185 /nfs/dbraw/zinc/76/41/85/1322764185.db2.gz ZXIQCBPJLKYENP-UKRRQHHQSA-N 2 0 331.485 3.235 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCC[NH+]2CCC(C)CC2)n(C)n1 ZINC000924580952 1323062325 /nfs/dbraw/zinc/06/23/25/1323062325.db2.gz ZSQQMDYPDLZIDZ-QUCCMNQESA-N 2 0 332.536 3.151 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H](C)C1 ZINC000924679745 1323109353 /nfs/dbraw/zinc/10/93/53/1323109353.db2.gz METOIVKGYVSFAM-APWZRJJASA-N 2 0 332.488 3.160 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2ccnnc2)cc1 ZINC000924692188 1323115217 /nfs/dbraw/zinc/11/52/17/1323115217.db2.gz KCHHWQFLPMHDII-MRXNPFEDSA-N 2 0 328.460 3.048 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+]C2[C@H](C)COC[C@H]2C)cc1 ZINC000924691599 1323115338 /nfs/dbraw/zinc/11/53/38/1323115338.db2.gz FQKTWMCTPMSXTH-IAGOWNOFSA-N 2 0 334.504 3.168 10 0 EGAERP CCn1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000924779455 1323159825 /nfs/dbraw/zinc/15/98/25/1323159825.db2.gz CPBFHMQBHHVTSO-INIZCTEOSA-N 2 0 341.503 3.169 10 0 EGAERP CC(C)[C@H]1COCC[C@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000924940669 1323222676 /nfs/dbraw/zinc/22/26/76/1323222676.db2.gz OAGBKQUILONLRR-WOJBJXKFSA-N 2 0 334.504 3.168 10 0 EGAERP C[C@@H]([NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1)C(C)(C)CO ZINC000925217721 1325084483 /nfs/dbraw/zinc/08/44/83/1325084483.db2.gz AVGZVOZIZGGTGY-GOSISDBHSA-N 2 0 348.531 3.054 10 0 EGAERP CCOc1cc(C[NH2+][C@@H]2C[C@H]([NH3+])C23CCC3)ccc1OC(F)F ZINC000925477309 1325167428 /nfs/dbraw/zinc/16/74/28/1325167428.db2.gz PTBWROMYJIPYCM-LSDHHAIUSA-N 2 0 326.387 3.046 10 0 EGAERP CN(C)[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1c(F)cccc1F ZINC000925497282 1325177863 /nfs/dbraw/zinc/17/78/63/1325177863.db2.gz GPURPXKVOVERNV-HEHGZKQESA-N 2 0 325.447 3.063 10 0 EGAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Oc1cccc(Br)c1 ZINC000925512934 1325185457 /nfs/dbraw/zinc/18/54/57/1325185457.db2.gz CXXWNHIEFJJFPX-DFBGVHRSSA-N 2 0 339.277 3.076 10 0 EGAERP CC1(C)[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925519841 1325188471 /nfs/dbraw/zinc/18/84/71/1325188471.db2.gz PEVWMRJJDYNRSG-HSALFYBXSA-N 3 0 327.516 3.149 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925524347 1325190363 /nfs/dbraw/zinc/19/03/63/1325190363.db2.gz RQVUYZGTIRABTO-NXHRZFHOSA-N 2 0 332.488 3.220 10 0 EGAERP c1ccc(C2(C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)CCOCC2)cc1 ZINC000925544336 1325200045 /nfs/dbraw/zinc/20/00/45/1325200045.db2.gz QALNKUIVRKAYIM-SFTDATJTSA-N 2 0 342.527 3.493 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548998 1325203420 /nfs/dbraw/zinc/20/34/20/1325203420.db2.gz WBHODQCPVQCNOO-RTBURBONSA-N 2 0 334.504 3.235 10 0 EGAERP Cc1ccc([C@H](CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)[NH+]2CCCC2)o1 ZINC000925559262 1325208232 /nfs/dbraw/zinc/20/82/32/1325208232.db2.gz SKUMAKYRSJSBRP-NEPXVJNWSA-N 2 0 331.504 3.091 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(C(=O)N3CCCCC3)cc2)C1 ZINC000925581530 1325219584 /nfs/dbraw/zinc/21/95/84/1325219584.db2.gz ZVLPQECCMBGRGE-RTBURBONSA-N 2 0 343.515 3.308 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594275 1325224769 /nfs/dbraw/zinc/22/47/69/1325224769.db2.gz QDSLWMCOSWIOHD-SJORKVTESA-N 2 0 334.891 3.248 10 0 EGAERP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@H]1CC[NH2+]C12CCC2 ZINC000925622996 1325234062 /nfs/dbraw/zinc/23/40/62/1325234062.db2.gz NZOZOYHLDCQMBC-FQEVSTJZSA-N 2 0 339.483 3.286 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@H]2C[C@@H]([NH3+])C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000925621567 1325235214 /nfs/dbraw/zinc/23/52/14/1325235214.db2.gz ILZLZCSMCIMLMX-MDNKFWRPSA-N 3 0 327.516 3.147 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000925625584 1325236841 /nfs/dbraw/zinc/23/68/41/1325236841.db2.gz GRDAEERWAHCOHM-KJWYOANISA-N 2 0 337.458 3.206 10 0 EGAERP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccccc1Cl ZINC000925639946 1325243564 /nfs/dbraw/zinc/24/35/64/1325243564.db2.gz NQSTYCVCURJCRV-IPELMVKDSA-N 2 0 336.907 3.305 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@@H]2O)C[C@@H]([NH3+])C1 ZINC000925651605 1325248074 /nfs/dbraw/zinc/24/80/74/1325248074.db2.gz HKEVPYBYBIHGIQ-JKBKZWBZSA-N 2 0 348.506 3.395 10 0 EGAERP CC1(C)C[C@@H]([NH2+][C@@H](Cn2ccccc2=O)c2ccccc2)C[C@@H]([NH3+])C1 ZINC000925666509 1325253973 /nfs/dbraw/zinc/25/39/73/1325253973.db2.gz QCVZRBOMIOCCAD-QYZOEREBSA-N 2 0 339.483 3.085 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(Cl)c1OC ZINC000925675919 1325257999 /nfs/dbraw/zinc/25/79/99/1325257999.db2.gz HKGPICCEDGPXDQ-ZIAGYGMSSA-N 2 0 340.895 3.395 10 0 EGAERP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@H]3COCC[C@H]3C2)cc1 ZINC000925703623 1325265667 /nfs/dbraw/zinc/26/56/67/1325265667.db2.gz DJTFDJQKYCRDFK-NRVIEEGESA-N 2 0 346.490 3.314 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)OC)c1 ZINC000925721711 1325269979 /nfs/dbraw/zinc/26/99/79/1325269979.db2.gz QCJZHQABAKJHAF-AQNXPRMDSA-N 2 0 332.488 3.141 10 0 EGAERP OC[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(Cl)cc1 ZINC000925728721 1325272116 /nfs/dbraw/zinc/27/21/16/1325272116.db2.gz HBKUSOTWXUWZDU-QXAKKESOSA-N 2 0 336.907 3.174 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]CC[C@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925771733 1325292523 /nfs/dbraw/zinc/29/25/23/1325292523.db2.gz CRUJDYZOMQBVPL-WOJBJXKFSA-N 2 0 346.515 3.422 10 0 EGAERP C[C@H](NCc1cc(C(F)(F)F)ccc1Br)C1C[NH2+]C1 ZINC000925772793 1325294025 /nfs/dbraw/zinc/29/40/25/1325294025.db2.gz JYAXZWOARSSXQT-QMMMGPOBSA-N 2 0 337.183 3.165 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)C(c1ccccc1)c1ccccc1 ZINC000925808182 1325309751 /nfs/dbraw/zinc/30/97/51/1325309751.db2.gz AMPRNMOWWCSYBU-GOSISDBHSA-N 2 0 337.511 3.220 10 0 EGAERP CC(C)[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000925814099 1325313416 /nfs/dbraw/zinc/31/34/16/1325313416.db2.gz FSYBZXLOMJDGSH-KRWDZBQOSA-N 2 0 343.437 3.415 10 0 EGAERP Cc1cc(F)ccc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816126 1325313667 /nfs/dbraw/zinc/31/36/67/1325313667.db2.gz FZEJEGUOPAPIJT-QGZVFWFLSA-N 2 0 341.474 3.390 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844063 1325324879 /nfs/dbraw/zinc/32/48/79/1325324879.db2.gz VBXFXGYEYYWIQA-CWJKEVGVSA-N 2 0 327.516 3.019 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(OC(F)F)c1 ZINC000925848156 1325328529 /nfs/dbraw/zinc/32/85/29/1325328529.db2.gz BBMAEQGYWQVKHC-HNNXBMFYSA-N 2 0 341.446 3.014 10 0 EGAERP CC(C)(C)C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925849148 1325329198 /nfs/dbraw/zinc/32/91/98/1325329198.db2.gz AQKHXMGFCVTXHQ-ZWKOTPCHSA-N 2 0 344.499 3.439 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(C)(C)C)cc1 ZINC000925853313 1325331940 /nfs/dbraw/zinc/33/19/40/1325331940.db2.gz IAYFGVMCWKQFHJ-YJBOKZPZSA-N 2 0 344.499 3.320 10 0 EGAERP Cc1c2ccccc2oc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925857873 1325333283 /nfs/dbraw/zinc/33/32/83/1325333283.db2.gz WZLPMEVIMAGGIE-CABCVRRESA-N 2 0 342.439 3.077 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H](c2ncc[nH]2)c2ccccc2)C1 ZINC000925886361 1325343662 /nfs/dbraw/zinc/34/36/62/1325343662.db2.gz FMAGPBWNIUMKHV-IRFCIJBXSA-N 2 0 332.451 3.148 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccnn1CC1CCC1 ZINC000926732008 1327689256 /nfs/dbraw/zinc/68/92/56/1327689256.db2.gz NWUUAGOCKIBTJL-MRXNPFEDSA-N 2 0 330.520 3.456 10 0 EGAERP COC(=O)c1cc(C[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)n(C)c1C ZINC000926856308 1327742339 /nfs/dbraw/zinc/74/23/39/1327742339.db2.gz RKCVCBUKIPSOOF-AWEZNQCLSA-N 2 0 343.471 3.033 10 0 EGAERP [NH3+]C1(C[NH2+][C@H]2CCCc3cc(SC(F)F)ccc32)CCOCC1 ZINC000863541532 1329561838 /nfs/dbraw/zinc/56/18/38/1329561838.db2.gz NYOABAIXACOBOA-HNNXBMFYSA-N 2 0 342.455 3.476 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+]Cc3cn(C4CC4)cn3)CC2)c1 ZINC000865437936 1329697438 /nfs/dbraw/zinc/69/74/38/1329697438.db2.gz IDEOATHRQBLRMM-UHFFFAOYSA-N 2 0 330.501 3.281 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)(c2ccccc2)CC1 ZINC000865774182 1329736874 /nfs/dbraw/zinc/73/68/74/1329736874.db2.gz GHGGRCZJQVEYDC-IBGZPJMESA-N 3 0 329.532 3.112 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCC3)C2)(c2ccccc2)CC1 ZINC000865775334 1329737120 /nfs/dbraw/zinc/73/71/20/1329737120.db2.gz VHDYNJVTCBPDFX-IBGZPJMESA-N 2 0 328.500 3.341 10 0 EGAERP FC(F)(F)CCSCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000865786643 1329738296 /nfs/dbraw/zinc/73/82/96/1329738296.db2.gz HLHYCZOYUYWCNR-UHFFFAOYSA-N 2 0 330.379 3.043 10 0 EGAERP CC(C)[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000866274243 1330089136 /nfs/dbraw/zinc/08/91/36/1330089136.db2.gz IDSJRRGEYKFKHM-FQEVSTJZSA-N 2 0 344.547 3.319 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866278834 1330089936 /nfs/dbraw/zinc/08/99/36/1330089936.db2.gz AKWBZNWGFALZMV-OAQYLSRUSA-N 2 0 337.511 3.443 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000866538389 1330123964 /nfs/dbraw/zinc/12/39/64/1330123964.db2.gz RNRCPRLHVKCQTL-PBEJRMEISA-N 2 0 346.515 3.340 10 0 EGAERP COc1ccc([C@H](C[NH3+])CN2c3ccccc3[C@H]([NH3+])C2(C)C)cc1 ZINC000866701649 1330142232 /nfs/dbraw/zinc/14/22/32/1330142232.db2.gz LUTSDOUODFAOCS-BEFAXECRSA-N 2 0 325.456 3.036 10 0 EGAERP C[NH+](C)CCCC1CCN(C(=O)Nc2ccc([C@@H]3C[C@H]3[NH3+])cc2)CC1 ZINC000868182341 1330259664 /nfs/dbraw/zinc/25/96/64/1330259664.db2.gz KWEWUZWRJNAACE-RBUKOAKNSA-N 2 0 344.503 3.087 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cn2nc(C)nc2-c2ccccc2)CC1 ZINC001323066476 1387281307 /nfs/dbraw/zinc/28/13/07/1387281307.db2.gz MXCLVAUDGLPFKW-UHFFFAOYSA-N 2 0 341.503 3.265 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001323147997 1387302961 /nfs/dbraw/zinc/30/29/61/1387302961.db2.gz IPASJDNATORLOE-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001323157832 1387304141 /nfs/dbraw/zinc/30/41/41/1387304141.db2.gz FSHDKSDITYRWTQ-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001323287752 1387324323 /nfs/dbraw/zinc/32/43/23/1387324323.db2.gz UHUGARSGXPFWJT-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1)CC(C)(C)C ZINC001323311435 1387332671 /nfs/dbraw/zinc/33/26/71/1387332671.db2.gz VUWWLQUFOXQKLV-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001323671069 1387421335 /nfs/dbraw/zinc/42/13/35/1387421335.db2.gz YOTCAQSLCBSFBW-BQPQQLJHSA-N 2 0 335.536 3.185 10 0 EGAERP CCC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001323670663 1387421422 /nfs/dbraw/zinc/42/14/22/1387421422.db2.gz VEWVYYDCXSZBQA-INSXIZNYSA-N 2 0 347.547 3.186 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC001323813271 1387466286 /nfs/dbraw/zinc/46/62/86/1387466286.db2.gz QIZJCWHKSCCMAX-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001323860705 1387482055 /nfs/dbraw/zinc/48/20/55/1387482055.db2.gz UKFRUWGVJHTXLM-RXDZQLDNSA-N 2 0 349.563 3.243 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC3=CCCCC3)C2)C1 ZINC001323874056 1387487052 /nfs/dbraw/zinc/48/70/52/1387487052.db2.gz RLDUFFMMPDEWPJ-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001324098162 1387541022 /nfs/dbraw/zinc/54/10/22/1387541022.db2.gz PRNXLTXLDKKCSK-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccc(C[NH+]2CCC(C)(NC(=O)C[N@H+](C)C(C)C)CC2)cc1 ZINC001324342991 1387601823 /nfs/dbraw/zinc/60/18/23/1387601823.db2.gz MVKXXWUPCBSTDN-UHFFFAOYSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C)[NH+](CC)CC ZINC001324538305 1387663879 /nfs/dbraw/zinc/66/38/79/1387663879.db2.gz ZGXHAXISNUMLFN-QYZOEREBSA-N 2 0 337.552 3.218 10 0 EGAERP C[C@@]1(NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CCC2=CCCCC2)C1 ZINC001324675478 1387732197 /nfs/dbraw/zinc/73/21/97/1387732197.db2.gz XXRXWSTZCOPJSP-OAQYLSRUSA-N 2 0 347.547 3.334 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001324741824 1387758853 /nfs/dbraw/zinc/75/88/53/1387758853.db2.gz OEEKCRPBOYFHLL-PXNSSMCTSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001324742861 1387759010 /nfs/dbraw/zinc/75/90/10/1387759010.db2.gz USQFJPBACNYSLS-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001324772092 1387766021 /nfs/dbraw/zinc/76/60/21/1387766021.db2.gz RKANIEHGWXXIRC-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788782 1387772752 /nfs/dbraw/zinc/77/27/52/1387772752.db2.gz LETLYAVIUHKEJY-GHTZIAJQSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2(C)CC[NH+](CCC3CC3)CC2)C1 ZINC001324897812 1387810062 /nfs/dbraw/zinc/81/00/62/1387810062.db2.gz QUOMDDDNTWVVSP-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CCC1(CC)CNC(=O)[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001198104830 1368960550 /nfs/dbraw/zinc/96/05/50/1368960550.db2.gz SPYYEWYVIJQVRF-IBGZPJMESA-N 2 0 343.515 3.067 10 0 EGAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001325532526 1387998748 /nfs/dbraw/zinc/99/87/48/1387998748.db2.gz URNVKDAZWHXYKP-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@]13CC[NH+](C1)CCC3)C2 ZINC001325630584 1388016920 /nfs/dbraw/zinc/01/69/20/1388016920.db2.gz WJACGXWIGJKNRE-JTJHWIPRSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCCC1)C2 ZINC001325644298 1388021490 /nfs/dbraw/zinc/02/14/90/1388021490.db2.gz UJEFFPLPMHWNRP-REPLKXPHSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001325679981 1388029005 /nfs/dbraw/zinc/02/90/05/1388029005.db2.gz OZYIQNUPDTZTPS-MXVIHJGJSA-N 2 0 347.547 3.095 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCCC[C@H]2C2CC2)CC1 ZINC001116510958 1370927204 /nfs/dbraw/zinc/92/72/04/1370927204.db2.gz FJJHERATLFLEKA-VQTJNVASSA-N 2 0 327.516 3.497 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCC[C@@H]2C2CC2)CC1 ZINC001116510957 1370927254 /nfs/dbraw/zinc/92/72/54/1370927254.db2.gz FJJHERATLFLEKA-UXHICEINSA-N 2 0 327.516 3.497 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCC3)C2)CC1 ZINC001326378699 1388170853 /nfs/dbraw/zinc/17/08/53/1388170853.db2.gz ABBYXJJZOBAZNP-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC001326457630 1388197180 /nfs/dbraw/zinc/19/71/80/1388197180.db2.gz CXQVVJIGDJTOSK-SFHVURJKSA-N 2 0 343.515 3.043 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001326512606 1388225238 /nfs/dbraw/zinc/22/52/38/1388225238.db2.gz IMUUTZVCEPTOEO-WGSAOQKQSA-N 2 0 349.563 3.482 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001326585824 1388248871 /nfs/dbraw/zinc/24/88/71/1388248871.db2.gz NDALCGIREQIZII-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001326736586 1388294814 /nfs/dbraw/zinc/29/48/14/1388294814.db2.gz RWSPADGQEXUJPE-RBUKOAKNSA-N 2 0 345.531 3.287 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001326835261 1388325757 /nfs/dbraw/zinc/32/57/57/1388325757.db2.gz UIYUKTVFOAIDPE-LLHWWHOWSA-N 2 0 347.547 3.378 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)C1CC[NH+](CC(C)C)CC1 ZINC001136162842 1377359718 /nfs/dbraw/zinc/35/97/18/1377359718.db2.gz JIKZLJJYNRCHHZ-UHFFFAOYSA-N 2 0 339.568 3.181 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001266877664 1377398655 /nfs/dbraw/zinc/39/86/55/1377398655.db2.gz VFUSXMQRTGKEBF-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267047409 1377408231 /nfs/dbraw/zinc/40/82/31/1377408231.db2.gz NKQCSHHZIIJDPA-PXPVJAHISA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267133583 1377416495 /nfs/dbraw/zinc/41/64/95/1377416495.db2.gz JKYINHOFBMJYBE-YVACAVLKSA-N 2 0 328.460 3.097 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001267180370 1377426292 /nfs/dbraw/zinc/42/62/92/1377426292.db2.gz ZJFVLPDTBUOLOQ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCN(C(=O)[C@H](CC(C)C)n1ccnc1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001269331926 1377550863 /nfs/dbraw/zinc/55/08/63/1377550863.db2.gz PKVODUNPKLCCKM-MOPGFXCFSA-N 2 0 346.519 3.193 10 0 EGAERP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001269345462 1377552390 /nfs/dbraw/zinc/55/23/90/1377552390.db2.gz REROZQWQBZGBQX-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001270850675 1377615800 /nfs/dbraw/zinc/61/58/00/1377615800.db2.gz CCGNZOWJSKYSOX-VZSQWMKGSA-N 2 0 347.547 3.142 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001271542803 1377636541 /nfs/dbraw/zinc/63/65/41/1377636541.db2.gz CFHDHFXMKDJQKI-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001271671886 1377645803 /nfs/dbraw/zinc/64/58/03/1377645803.db2.gz BINMIENQWNHLQO-PXNSSMCTSA-N 2 0 343.515 3.012 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001273782774 1378111480 /nfs/dbraw/zinc/11/14/80/1378111480.db2.gz NVTHZYMZOJOUHF-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327488851 1388533753 /nfs/dbraw/zinc/53/37/53/1388533753.db2.gz SFZBWRZPLRVTPE-SREVYHEPSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001277537521 1378232891 /nfs/dbraw/zinc/23/28/91/1378232891.db2.gz GGEYMTWZUZQBON-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]CC2CCCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001281023137 1378394016 /nfs/dbraw/zinc/39/40/16/1378394016.db2.gz HYWXUCJRTMZQFR-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001281499789 1378436293 /nfs/dbraw/zinc/43/62/93/1378436293.db2.gz IGLJLYCCVUALNX-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@]2(CC[N@H+](CC=C(C)C)C2)C1)[NH+](CC)CC ZINC001327529556 1388551910 /nfs/dbraw/zinc/55/19/10/1388551910.db2.gz IPUNXWCIAHHJOE-TZIWHRDSSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327541839 1388556443 /nfs/dbraw/zinc/55/64/43/1388556443.db2.gz RGNOMCDGEPGARW-QQUYBBDPSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001282677010 1378546289 /nfs/dbraw/zinc/54/62/89/1378546289.db2.gz XBUOYJOFSBMQJJ-FBQMEGEOSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001282678162 1378550356 /nfs/dbraw/zinc/55/03/56/1378550356.db2.gz ONOSBOFDHWTQRA-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1C[C@]2(C)C[NH+](CCCC(C)(C)C)C[C@]2(C)C1 ZINC001282982215 1378696255 /nfs/dbraw/zinc/69/62/55/1378696255.db2.gz IYONHPUTALFGSK-DZFGPLHGSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([NH+](C)CCC(C)(C)C)CC1 ZINC001283310367 1378797651 /nfs/dbraw/zinc/79/76/51/1378797651.db2.gz KYYLGEFPEHERPK-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CN(C)C(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCC2(CC2)CC1 ZINC001283631269 1379066533 /nfs/dbraw/zinc/06/65/33/1379066533.db2.gz UVYJXCYXARZDLU-QGZVFWFLSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCCCCC1 ZINC001283633357 1379069528 /nfs/dbraw/zinc/06/95/28/1379069528.db2.gz ZIHJSJRNJXAIKA-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001283676823 1379104559 /nfs/dbraw/zinc/10/45/59/1379104559.db2.gz FOJNPZDCJBUCJP-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)[C@@H]2C)ccc2c[nH+]cn21 ZINC001283883749 1379228121 /nfs/dbraw/zinc/22/81/21/1379228121.db2.gz FHVSASQGOFSQIQ-MAUKXSAKSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001284029480 1379378400 /nfs/dbraw/zinc/37/84/00/1379378400.db2.gz DTMUNRNAXWRFPM-ICSRJNTNSA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CCC1CCCCCC1)CC2 ZINC001284066147 1379422079 /nfs/dbraw/zinc/42/20/79/1379422079.db2.gz FFMJQZZNVZZPMV-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2)[NH+](CC)CC ZINC001284069428 1379429878 /nfs/dbraw/zinc/42/98/78/1379429878.db2.gz QHSOBLJGHMJUAW-HBFSDRIKSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCC1)CC2 ZINC001284072787 1379438502 /nfs/dbraw/zinc/43/85/02/1379438502.db2.gz VWVKZEYUHNKFQW-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001284642684 1380049436 /nfs/dbraw/zinc/04/94/36/1380049436.db2.gz OPUJNGPSORKNMC-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001284845791 1380268412 /nfs/dbraw/zinc/26/84/12/1380268412.db2.gz BTFSZJCGMUWAGC-AATRIKPKSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](F)C[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001328051597 1388654819 /nfs/dbraw/zinc/65/48/19/1388654819.db2.gz WHXNXKCCHWLCOO-SFHVURJKSA-N 2 0 349.494 3.081 10 0 EGAERP CCCC[N@H+]1CC=C(CNC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001284937575 1380322804 /nfs/dbraw/zinc/32/28/04/1380322804.db2.gz GPXHGFZFIDXNBA-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)C(C)(C)C1 ZINC001328097980 1388669468 /nfs/dbraw/zinc/66/94/68/1388669468.db2.gz KFNWHQAPNXVIDV-XSAZBNQGSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC001328157120 1388683320 /nfs/dbraw/zinc/68/33/20/1388683320.db2.gz BMNYUFVNKZTQBL-PGRDOPGGSA-N 2 0 338.495 3.282 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CC3(CCC3)C2)[C@@H](C)C1 ZINC001328281999 1388713039 /nfs/dbraw/zinc/71/30/39/1388713039.db2.gz FQTYLITYJMBIBR-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001328460145 1388751122 /nfs/dbraw/zinc/75/11/22/1388751122.db2.gz ZDYWMOZMGCDFDR-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001328735518 1388834323 /nfs/dbraw/zinc/83/43/23/1388834323.db2.gz CKCQCRIDDYQNJT-YXPHPVBUSA-N 2 0 349.563 3.386 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001328752261 1388843675 /nfs/dbraw/zinc/84/36/75/1388843675.db2.gz HDBQXZIKVXQENG-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001328786255 1388862569 /nfs/dbraw/zinc/86/25/69/1388862569.db2.gz NMFKAYIGVYQYMO-NQIIRXRSSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808636 1388874399 /nfs/dbraw/zinc/87/43/99/1388874399.db2.gz PTZVCEKXXHGJFL-XHHZUUQWSA-N 2 0 349.563 3.245 10 0 EGAERP COC(=O)C1(c2ccc(C[N@H+](C)C3CC[NH+](C(C)C)CC3)cc2)CC1 ZINC001307449118 1383992494 /nfs/dbraw/zinc/99/24/94/1383992494.db2.gz HQCWZVGIEMUKQR-UHFFFAOYSA-N 2 0 344.499 3.196 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC1CC(C[NH2+]CC2CCCCC2)C1 ZINC001328955018 1388908400 /nfs/dbraw/zinc/90/84/00/1388908400.db2.gz MIAXCPHVDKNHNV-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+]CCC[NH+]2CCCCC2)C1(C)C ZINC001171155658 1384456743 /nfs/dbraw/zinc/45/67/43/1384456743.db2.gz HZPZJOYSLCNSES-INIZCTEOSA-N 2 0 339.524 3.240 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316671325 1384514239 /nfs/dbraw/zinc/51/42/39/1384514239.db2.gz RKACSARVHOMRAF-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+]1CCCCC1 ZINC001316719048 1384536791 /nfs/dbraw/zinc/53/67/91/1384536791.db2.gz FZRDQCJUKLBQII-YZGWKJHDSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](F)C[NH+](CC)CC)CC[N@@H+]1CCC(C)(C)C ZINC001316733862 1384551195 /nfs/dbraw/zinc/55/11/95/1384551195.db2.gz ZHFFSUZXQJGYJX-IXDOHACOSA-N 2 0 343.531 3.072 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316774055 1384572318 /nfs/dbraw/zinc/57/23/18/1384572318.db2.gz IQSPRLXOBQPZHX-RURPWVQCSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cc(C)cc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001316796866 1384587177 /nfs/dbraw/zinc/58/71/77/1384587177.db2.gz UENGDRAHNHFXOQ-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316809593 1384604988 /nfs/dbraw/zinc/60/49/88/1384604988.db2.gz DCWDGSIQGQFETG-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001316855835 1384642844 /nfs/dbraw/zinc/64/28/44/1384642844.db2.gz AUNIPWYWBLZFAI-LJQANCHMSA-N 2 0 345.531 3.226 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316997934 1384755114 /nfs/dbraw/zinc/75/51/14/1384755114.db2.gz HVXSQLUXHSESLW-RKQNLGICSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001317005078 1384765445 /nfs/dbraw/zinc/76/54/45/1384765445.db2.gz DSHDCEGIKHGYTA-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCC(C)C)CC[C@H]21 ZINC001317099305 1384862340 /nfs/dbraw/zinc/86/23/40/1384862340.db2.gz AOSNEJXZGHWYGF-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCCC3)CC[C@H]21 ZINC001317105123 1384868431 /nfs/dbraw/zinc/86/84/31/1384868431.db2.gz LBZGVQZXYOKXCS-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001317139254 1384905200 /nfs/dbraw/zinc/90/52/00/1384905200.db2.gz IIKBKIPEMWNKPY-KRWDZBQOSA-N 2 0 339.568 3.229 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001317140687 1384908335 /nfs/dbraw/zinc/90/83/35/1384908335.db2.gz RSQLGBTUZNARDS-XSXCZSQGSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001317140608 1384908370 /nfs/dbraw/zinc/90/83/70/1384908370.db2.gz RFSIJKBHSQFZDQ-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1c(C)cccc1C)[NH+](C)C ZINC001317174009 1384943134 /nfs/dbraw/zinc/94/31/34/1384943134.db2.gz RMOVDPGGLBDGPP-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317194617 1384969172 /nfs/dbraw/zinc/96/91/72/1384969172.db2.gz ZNBDQNYEBHEPAN-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317200951 1384977176 /nfs/dbraw/zinc/97/71/76/1384977176.db2.gz WHZQGNJVSRIJEB-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317357001 1385102508 /nfs/dbraw/zinc/10/25/08/1385102508.db2.gz HAYOKWCAXCENGL-WOJBJXKFSA-N 2 0 345.531 3.244 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001317433267 1385137385 /nfs/dbraw/zinc/13/73/85/1385137385.db2.gz DQXIWUKNSZFNEQ-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001317483437 1385180104 /nfs/dbraw/zinc/18/01/04/1385180104.db2.gz FBEMMBHTDJUNKS-BQFCYCMXSA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001317519893 1385238082 /nfs/dbraw/zinc/23/80/82/1385238082.db2.gz HLQGZPHCWAKENL-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001317531838 1385259055 /nfs/dbraw/zinc/25/90/55/1385259055.db2.gz FQOMBOVFNRJZML-MOPGFXCFSA-N 2 0 345.531 3.226 10 0 EGAERP CC1(C)CC(C[N@H+](CCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)C2CC2)C1 ZINC001317553019 1385314485 /nfs/dbraw/zinc/31/44/85/1385314485.db2.gz DRTVTXCJGCNUQN-MOPGFXCFSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCC1CCCC1 ZINC001317699347 1385406103 /nfs/dbraw/zinc/40/61/03/1385406103.db2.gz VLZZKDZQFGEGQU-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001317725328 1385425214 /nfs/dbraw/zinc/42/52/14/1385425214.db2.gz SIHOHXVESRQQJJ-ICSRJNTNSA-N 2 0 345.531 3.498 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001317796873 1385489911 /nfs/dbraw/zinc/48/99/11/1385489911.db2.gz HFFZADVBBADHQV-SXLOBPIMSA-N 2 0 349.563 3.125 10 0 EGAERP OCCCCCCC[N@H+]1C[C@@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1 ZINC001176264169 1385531340 /nfs/dbraw/zinc/53/13/40/1385531340.db2.gz UURCMZBCCLBVNS-NHCUHLMSSA-N 2 0 330.516 3.383 10 0 EGAERP CCc1ccccc1C[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001318445220 1385696368 /nfs/dbraw/zinc/69/63/68/1385696368.db2.gz KKHXQYWOFUYTDD-HXUWFJFHSA-N 2 0 345.531 3.014 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cccc(C)c1 ZINC001318541418 1385745110 /nfs/dbraw/zinc/74/51/10/1385745110.db2.gz MZDSDBZQPFXPHH-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698616551 1406250054 /nfs/dbraw/zinc/25/00/54/1406250054.db2.gz DETAOLMBMFGRAP-ROUUACIJSA-N 2 0 339.568 3.418 10 0 EGAERP O=C([C@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001318916891 1385881317 /nfs/dbraw/zinc/88/13/17/1385881317.db2.gz HWQKPJCSIKKRTB-VQTJNVASSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001318978873 1385907209 /nfs/dbraw/zinc/90/72/09/1385907209.db2.gz LGDCHKKJPGXQJD-GUDVDZBRSA-N 2 0 349.563 3.170 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001319080939 1385955238 /nfs/dbraw/zinc/95/52/38/1385955238.db2.gz STNNTENHWHHRNG-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001319224502 1386013678 /nfs/dbraw/zinc/01/36/78/1386013678.db2.gz IITDCAQVPFNYSS-CVEARBPZSA-N 2 0 349.494 3.103 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCCC1 ZINC001319369454 1386085224 /nfs/dbraw/zinc/08/52/24/1386085224.db2.gz PWRHRQNYYZIEDG-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001319389540 1386099593 /nfs/dbraw/zinc/09/95/93/1386099593.db2.gz NJNCTVXWHFBKGY-SFHVURJKSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001319642482 1386227029 /nfs/dbraw/zinc/22/70/29/1386227029.db2.gz IYHYOKLJBKCGJZ-WOJBJXKFSA-N 2 0 345.531 3.182 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001319663168 1386241573 /nfs/dbraw/zinc/24/15/73/1386241573.db2.gz MFHLKDPNYYSRJP-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001319689467 1386252933 /nfs/dbraw/zinc/25/29/33/1386252933.db2.gz GGILCLLLGPKOLV-ZBFHGGJFSA-N 2 0 337.533 3.050 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC(C)(C)C)C1 ZINC001319789758 1386297418 /nfs/dbraw/zinc/29/74/18/1386297418.db2.gz BHXADRDHCZTEBF-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001320501590 1386629188 /nfs/dbraw/zinc/62/91/88/1386629188.db2.gz RXIRLCHTKPRDGK-QGZVFWFLSA-N 2 0 339.568 3.419 10 0 EGAERP CCC/C=C/CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001698667202 1406317558 /nfs/dbraw/zinc/31/75/58/1406317558.db2.gz DPGCJBCBTUKUCN-WLMAVBAVSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(C)C)C1 ZINC001698672916 1406322103 /nfs/dbraw/zinc/32/21/03/1406322103.db2.gz MSRXOZQPSNEMLF-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1)[NH+](C)C ZINC001698681374 1406329258 /nfs/dbraw/zinc/32/92/58/1406329258.db2.gz BVYZAOGYNQOVJE-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001321627430 1386944099 /nfs/dbraw/zinc/94/40/99/1386944099.db2.gz IAPBSQRIIXWCLQ-MOPGFXCFSA-N 2 0 345.531 3.020 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc1ccsc1)c1ccccc1 ZINC001322042250 1387037500 /nfs/dbraw/zinc/03/75/00/1387037500.db2.gz OVSFVMKREOZOSI-MAUKXSAKSA-N 2 0 345.512 3.035 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)c2cc3c[nH]ccc-3n2)cc1 ZINC001322569449 1387206895 /nfs/dbraw/zinc/20/68/95/1387206895.db2.gz KZMMBALPGLJZHO-UHFFFAOYSA-N 2 0 336.439 3.123 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001322729851 1387231634 /nfs/dbraw/zinc/23/16/34/1387231634.db2.gz AUCZNBRZJLMDRJ-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001698706998 1406349024 /nfs/dbraw/zinc/34/90/24/1406349024.db2.gz GSGFEENEZYCFTD-CXLTZZKYSA-N 2 0 335.536 3.233 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001329201702 1389018868 /nfs/dbraw/zinc/01/88/68/1389018868.db2.gz FEXVGWMNBVDUCY-SJORKVTESA-N 2 0 341.499 3.163 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001329622327 1389188258 /nfs/dbraw/zinc/18/82/58/1389188258.db2.gz CVILFRAZHCLDOK-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CCN(C(=O)OC(C)(C)C)[C@H](C)C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329730595 1389210712 /nfs/dbraw/zinc/21/07/12/1389210712.db2.gz GAFYZLVUBXTXRI-CABCVRRESA-N 2 0 327.513 3.094 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CCC(C)(C)C ZINC001329750542 1389218505 /nfs/dbraw/zinc/21/85/05/1389218505.db2.gz PNADJEYABDHVOZ-GOSISDBHSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001329861411 1389238772 /nfs/dbraw/zinc/23/87/72/1389238772.db2.gz QKKRPHUOSCQOPL-CEXWTWQISA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](CC2CC3(CCC3)C2)CC1(C)C ZINC001330242711 1389360825 /nfs/dbraw/zinc/36/08/25/1389360825.db2.gz CJTVTDXXOVQRAZ-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001331028856 1389601596 /nfs/dbraw/zinc/60/15/96/1389601596.db2.gz BIECZUMOWQTYFT-VQTJNVASSA-N 2 0 349.563 3.362 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001331075343 1389622081 /nfs/dbraw/zinc/62/20/81/1389622081.db2.gz VYEKPPJTFMDRRP-SFHVURJKSA-N 2 0 345.531 3.319 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](CCC[NH2+]C(C)C)c1ccccc1 ZINC001331175920 1389643208 /nfs/dbraw/zinc/64/32/08/1389643208.db2.gz FKHFUJCITLUQQB-WOJBJXKFSA-N 2 0 345.531 3.497 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](CCC[NH2+]CC1CCC1)c1ccccc1 ZINC001331176062 1389643546 /nfs/dbraw/zinc/64/35/46/1389643546.db2.gz GOKFPENOQGYBPF-VQTJNVASSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001331546007 1389793549 /nfs/dbraw/zinc/79/35/49/1389793549.db2.gz WVHOUQUCGIAIQB-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001331645374 1389844812 /nfs/dbraw/zinc/84/48/12/1389844812.db2.gz ACCRDDONIQURSR-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001698753775 1406404714 /nfs/dbraw/zinc/40/47/14/1406404714.db2.gz SNIISGIDJWZPEX-IEBWSBKVSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001331927587 1389914406 /nfs/dbraw/zinc/91/44/06/1389914406.db2.gz ZBQWHJVDYXTUEP-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001332140722 1390004723 /nfs/dbraw/zinc/00/47/23/1390004723.db2.gz PACJTGILVAWWLU-CEXWTWQISA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001332158102 1390011335 /nfs/dbraw/zinc/01/13/35/1390011335.db2.gz KDLQQFLVDROJGZ-ZCNNSNEGSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001332435910 1390116384 /nfs/dbraw/zinc/11/63/84/1390116384.db2.gz BVZGVZCMYHTZCB-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC001332438289 1390117677 /nfs/dbraw/zinc/11/76/77/1390117677.db2.gz QPFNRAXIHSNZRO-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332788821 1390188755 /nfs/dbraw/zinc/18/87/55/1390188755.db2.gz KDXWMRJGDUZLDD-QZTJIDSGSA-N 2 0 339.568 3.416 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001332857464 1390202274 /nfs/dbraw/zinc/20/22/74/1390202274.db2.gz MNGKYUJRFXVCAZ-AEFFLSMTSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]C/C=C/Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001332898520 1390212574 /nfs/dbraw/zinc/21/25/74/1390212574.db2.gz IUAZUDYXVKQQSV-DZZUKKPASA-N 2 0 343.943 3.126 10 0 EGAERP CC[C@@H](c1ccccc1)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001332997119 1390232884 /nfs/dbraw/zinc/23/28/84/1390232884.db2.gz GACHALFUMJMJCX-PXNSSMCTSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001332996645 1390233047 /nfs/dbraw/zinc/23/30/47/1390233047.db2.gz DFLVEPQZWVGSCF-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001333108990 1390250864 /nfs/dbraw/zinc/25/08/64/1390250864.db2.gz WPNOWINWOFRADS-UUKMXZOPSA-N 2 0 347.547 3.329 10 0 EGAERP CCCc1ccc(C[NH2+]C2CC(N(C)C(=O)[C@@H](CC)[NH+](C)C)C2)cc1 ZINC001333141427 1390255920 /nfs/dbraw/zinc/25/59/20/1390255920.db2.gz OPYDBKIMNRMSGM-SOAGJPPSSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798523 1406470425 /nfs/dbraw/zinc/47/04/25/1406470425.db2.gz QIJUHGRAADRILR-IEBWSBKVSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001698798487 1406470511 /nfs/dbraw/zinc/47/05/11/1406470511.db2.gz XTSZQUPCBKAZPF-FPXQDXNASA-N 2 0 347.547 3.378 10 0 EGAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001348852903 1391275530 /nfs/dbraw/zinc/27/55/30/1391275530.db2.gz FUYWYLBHUGODKN-VQIMIIECSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001698823067 1406514902 /nfs/dbraw/zinc/51/49/02/1406514902.db2.gz BVTZBZCSIYIEOM-AWEZNQCLSA-N 2 0 339.549 3.296 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccccc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698834620 1406529820 /nfs/dbraw/zinc/52/98/20/1406529820.db2.gz FHZKKGQCRVOFJR-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP CCC(CC)C[NH+]1CC[C@@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479249164 1392199412 /nfs/dbraw/zinc/19/94/12/1392199412.db2.gz FCJQPHPFCITLQO-PKOBYXMFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001479391980 1392232285 /nfs/dbraw/zinc/23/22/85/1392232285.db2.gz PXXLJQKELSYYLB-XSLAGTTESA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCCC3)C2)C1 ZINC001479476907 1392251639 /nfs/dbraw/zinc/25/16/39/1392251639.db2.gz YXKKOAPVQOCGFI-YZGWKJHDSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479585879 1392281497 /nfs/dbraw/zinc/28/14/97/1392281497.db2.gz MSOWEXVKXMSPIX-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001479691490 1392322919 /nfs/dbraw/zinc/32/29/19/1392322919.db2.gz KSNFYIBKJSZFFD-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001479695687 1392325779 /nfs/dbraw/zinc/32/57/79/1392325779.db2.gz ZHRSFWLLSHLTFN-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1C ZINC001479713531 1392333948 /nfs/dbraw/zinc/33/39/48/1392333948.db2.gz YKHLDSOUGIBMCL-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001479729879 1392341179 /nfs/dbraw/zinc/34/11/79/1392341179.db2.gz MPKVFAPTHKNAAU-ZRAQOITDSA-N 2 0 335.536 3.042 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479821023 1392411507 /nfs/dbraw/zinc/41/15/07/1392411507.db2.gz DHIDGWQKMIDHBV-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001479910072 1392477550 /nfs/dbraw/zinc/47/75/50/1392477550.db2.gz FCUVDYBQHRVYQM-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001698859507 1406569060 /nfs/dbraw/zinc/56/90/60/1406569060.db2.gz CKWGLJBIYWGKGR-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001480085177 1392575142 /nfs/dbraw/zinc/57/51/42/1392575142.db2.gz QJALRQNYEDOWBH-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001480168243 1392607484 /nfs/dbraw/zinc/60/74/84/1392607484.db2.gz BAWYZJKDRMJBPB-MXVIHJGJSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001480261989 1392646196 /nfs/dbraw/zinc/64/61/96/1392646196.db2.gz QTHBIXFZHOXMEZ-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP CCc1ccc(C[N@H+]2CCCC[C@H]2CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001480333338 1392692991 /nfs/dbraw/zinc/69/29/91/1392692991.db2.gz RGWWJUKNVWWSEQ-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCCC(C)(C)C)CCC1 ZINC001480350120 1392699436 /nfs/dbraw/zinc/69/94/36/1392699436.db2.gz PUKIPHAPMMDALN-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001480350337 1392699570 /nfs/dbraw/zinc/69/95/70/1392699570.db2.gz STYSFXKRVOXUPM-QGZVFWFLSA-N 2 0 349.544 3.194 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(CC)CC ZINC001480349891 1392699842 /nfs/dbraw/zinc/69/98/42/1392699842.db2.gz LYEDMGGKWPLSIQ-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001480361657 1392706033 /nfs/dbraw/zinc/70/60/33/1392706033.db2.gz SEMPUKDXLLLVQG-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001480518512 1392776723 /nfs/dbraw/zinc/77/67/23/1392776723.db2.gz OZCYDXLIOHWAPO-LPHOPBHVSA-N 2 0 345.531 3.063 10 0 EGAERP C[N@H+](CC1CC(C)(C)C1)[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001480742626 1392909053 /nfs/dbraw/zinc/90/90/53/1392909053.db2.gz OOORAKFKKADWLO-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCCC(C)(C)C)CC[N@@H+]1C ZINC001480765322 1392920528 /nfs/dbraw/zinc/92/05/28/1392920528.db2.gz GCZHPSAMAZCCMJ-IXDOHACOSA-N 2 0 325.541 3.027 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001480770472 1392923438 /nfs/dbraw/zinc/92/34/38/1392923438.db2.gz DSMCEJZKYNMQIG-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CCC/C=C\CC[N@H+](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001480884971 1392998701 /nfs/dbraw/zinc/99/87/01/1392998701.db2.gz ZKXWEIWXVPNUOX-SREVYHEPSA-N 2 0 328.460 3.051 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCCC2)CC[N@@H+]1C ZINC001698878427 1406604585 /nfs/dbraw/zinc/60/45/85/1406604585.db2.gz APZYHLKKMKHQRQ-IPMKNSEASA-N 2 0 337.552 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC1CCCCCC1 ZINC001481043792 1393104709 /nfs/dbraw/zinc/10/47/09/1393104709.db2.gz FPDTZIUWQXJBCS-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CCC1=CCCCC1 ZINC001481137022 1393130277 /nfs/dbraw/zinc/13/02/77/1393130277.db2.gz YYTMTTQNKLBNGO-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCC[N@H+](CCC(C)(C)C)C2CC2)c1 ZINC001481198965 1393148580 /nfs/dbraw/zinc/14/85/80/1393148580.db2.gz BVJXNVVQQYPGMU-UHFFFAOYSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001698890392 1406622853 /nfs/dbraw/zinc/62/28/53/1406622853.db2.gz DIUDLXTVZFCHOH-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001698900604 1406633020 /nfs/dbraw/zinc/63/30/20/1406633020.db2.gz JEWGMONYCHAMIC-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001490594922 1394277636 /nfs/dbraw/zinc/27/76/36/1394277636.db2.gz JURWMDMVVJMGPN-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001481432769 1394288519 /nfs/dbraw/zinc/28/85/19/1394288519.db2.gz PUCAVFVUQXEKOW-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC[C@@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001481451611 1394307912 /nfs/dbraw/zinc/30/79/12/1394307912.db2.gz IWYYRJHZMRISCG-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CC2CCC2)C1)[NH+](CC)CC ZINC001490770633 1394332869 /nfs/dbraw/zinc/33/28/69/1394332869.db2.gz DGZYNQPWADTWHR-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481490337 1394333993 /nfs/dbraw/zinc/33/39/93/1394333993.db2.gz DTWOILMXEJUFBY-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001490837456 1394358814 /nfs/dbraw/zinc/35/88/14/1394358814.db2.gz BOVJTKXAUVFUCP-FNYRVFDFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481539524 1394402371 /nfs/dbraw/zinc/40/23/71/1394402371.db2.gz VJYWKVISBDVWHI-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001481709826 1394469001 /nfs/dbraw/zinc/46/90/01/1394469001.db2.gz SMYWHWPAHMXCSB-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001491229669 1394485315 /nfs/dbraw/zinc/48/53/15/1394485315.db2.gz JTTBLRJALZDXLX-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001491251328 1394491318 /nfs/dbraw/zinc/49/13/18/1394491318.db2.gz MGKKDSARXYJABJ-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001481768852 1394511543 /nfs/dbraw/zinc/51/15/43/1394511543.db2.gz SPTBOFGKLKOFSE-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001491682879 1394526382 /nfs/dbraw/zinc/52/63/82/1394526382.db2.gz PUNAXNXTPNFHLT-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001481904366 1394589496 /nfs/dbraw/zinc/58/94/96/1394589496.db2.gz DUMZQVPQCMJPPF-AATRIKPKSA-N 2 0 335.536 3.093 10 0 EGAERP Cc1c(C(=O)N[C@](C)(C[NH2+]CCC(C)C)C2CC2)ccc2c[nH+]cn21 ZINC001481932654 1394601993 /nfs/dbraw/zinc/60/19/93/1394601993.db2.gz BMFDMUCVNPCZAZ-HXUWFJFHSA-N 2 0 342.487 3.177 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)C1 ZINC001482002304 1394661524 /nfs/dbraw/zinc/66/15/24/1394661524.db2.gz GFAPCCGRVNCKDW-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C/CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001482003465 1394663300 /nfs/dbraw/zinc/66/33/00/1394663300.db2.gz GJLIOBLWIWKABM-AATRIKPKSA-N 2 0 349.563 3.293 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001482024344 1394681760 /nfs/dbraw/zinc/68/17/60/1394681760.db2.gz CIFWEJQZTMGWRE-LXAIDMBKSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001482044555 1394705996 /nfs/dbraw/zinc/70/59/96/1394705996.db2.gz ZROOXOWTOKYZPN-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001482058661 1394720121 /nfs/dbraw/zinc/72/01/21/1394720121.db2.gz QRXOZPLGIMDXGH-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001482173453 1394786473 /nfs/dbraw/zinc/78/64/73/1394786473.db2.gz LTGDQKNJCKXPAT-OAHLLOKOSA-N 2 0 347.528 3.083 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001482219862 1394813232 /nfs/dbraw/zinc/81/32/32/1394813232.db2.gz PMHLMTXFYJJMCT-UHFFFAOYSA-N 2 0 337.552 3.460 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001482223203 1394817545 /nfs/dbraw/zinc/81/75/45/1394817545.db2.gz ZIYQVUPXIIODFS-ARJAWSKDSA-N 2 0 347.547 3.237 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001482284280 1394865209 /nfs/dbraw/zinc/86/52/09/1394865209.db2.gz MJOZCABDVCBMKN-IAGOWNOFSA-N 2 0 325.541 3.122 10 0 EGAERP Cc1c(C(=O)N(C)[C@H](C)C[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001482302256 1394877473 /nfs/dbraw/zinc/87/74/73/1394877473.db2.gz DSIKXNCKRXTCIK-CQSZACIVSA-N 2 0 330.476 3.129 10 0 EGAERP C[C@@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482331827 1394901562 /nfs/dbraw/zinc/90/15/62/1394901562.db2.gz VDOMASHVWSNDJO-INIZCTEOSA-N 2 0 327.557 3.227 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CC1CC[NH+](C)CC1 ZINC001482338068 1394906234 /nfs/dbraw/zinc/90/62/34/1394906234.db2.gz DOKQXWBJEUWZQE-QGZVFWFLSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482395849 1394957044 /nfs/dbraw/zinc/95/70/44/1394957044.db2.gz FQRVHGBJFDNLSA-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482395846 1394957203 /nfs/dbraw/zinc/95/72/03/1394957203.db2.gz FQRVHGBJFDNLSA-OALUTQOASA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001482454115 1395012745 /nfs/dbraw/zinc/01/27/45/1395012745.db2.gz FQTSVAYZGQKPCQ-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001483816018 1395101329 /nfs/dbraw/zinc/10/13/29/1395101329.db2.gz LVJIENRGZXZXRM-SQGPQFPESA-N 2 0 349.563 3.076 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001483891978 1395131203 /nfs/dbraw/zinc/13/12/03/1395131203.db2.gz XTVFQVCEBITWII-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483916974 1395143880 /nfs/dbraw/zinc/14/38/80/1395143880.db2.gz GMALXQMFBNATOG-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC001483951374 1395159246 /nfs/dbraw/zinc/15/92/46/1395159246.db2.gz CKPAIWWBYNTTQT-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CCCCCC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001483966735 1395167349 /nfs/dbraw/zinc/16/73/49/1395167349.db2.gz BHJIMKCCURHPFA-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001484060942 1395224564 /nfs/dbraw/zinc/22/45/64/1395224564.db2.gz NDXQZXMBXSJKDX-PXNSSMCTSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170394 1395309329 /nfs/dbraw/zinc/30/93/29/1395309329.db2.gz PGFZQRBACAMEDX-UYAOXDASSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170393 1395309981 /nfs/dbraw/zinc/30/99/81/1395309981.db2.gz PGFZQRBACAMEDX-QUCCMNQESA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001484463444 1395397741 /nfs/dbraw/zinc/39/77/41/1395397741.db2.gz JPGJLCXIWWLKLW-VAMGGRTRSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001484522979 1395415646 /nfs/dbraw/zinc/41/56/46/1395415646.db2.gz NMIHLJIEGMIOBW-INIZCTEOSA-N 2 0 349.544 3.052 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001715998700 1420452585 /nfs/dbraw/zinc/45/25/85/1420452585.db2.gz RNLCOHSDZUFSRT-DLBZAZTESA-N 2 0 325.541 3.170 10 0 EGAERP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001484561920 1395447578 /nfs/dbraw/zinc/44/75/78/1395447578.db2.gz SKPVBDGOZNPNQX-MGPUTAFESA-N 2 0 349.494 3.186 10 0 EGAERP CC[C@H](C(=O)NC1CC(C[NH2+]CCC2CCCCCC2)C1)[NH+](C)C ZINC001485096366 1395657647 /nfs/dbraw/zinc/65/76/47/1395657647.db2.gz YMKGWKDXGHNSMV-CTWPCTMYSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001698990907 1406780497 /nfs/dbraw/zinc/78/04/97/1406780497.db2.gz MTIHNOPUGPQLOP-MRXNPFEDSA-N 2 0 325.541 3.076 10 0 EGAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485356235 1395830717 /nfs/dbraw/zinc/83/07/17/1395830717.db2.gz AZMNBDVWDRGCHW-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCCC2CCC2)CC1(C)C ZINC001485571978 1396038385 /nfs/dbraw/zinc/03/83/85/1396038385.db2.gz QAJUTPYJXFVFQS-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001485714210 1396113875 /nfs/dbraw/zinc/11/38/75/1396113875.db2.gz BVSZHDBQNPATRN-XLIONFOSSA-N 2 0 345.531 3.279 10 0 EGAERP CC[C@H]([NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001485736005 1396122940 /nfs/dbraw/zinc/12/29/40/1396122940.db2.gz MUFGZSSITKLMPS-XLIONFOSSA-N 2 0 345.531 3.354 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485736770 1396123381 /nfs/dbraw/zinc/12/33/81/1396123381.db2.gz QACMNWYLSNLIEN-LPHOPBHVSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]([NH2+]CC2CCCC2)C(C)C)CC[N@@H+]1C ZINC001485785553 1396153492 /nfs/dbraw/zinc/15/34/92/1396153492.db2.gz HKRHQUMMWBSVMK-IPMKNSEASA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCCC1 ZINC001485792516 1396155354 /nfs/dbraw/zinc/15/53/54/1396155354.db2.gz JDEFPMGFLMVOST-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699000356 1406807723 /nfs/dbraw/zinc/80/77/23/1406807723.db2.gz CMWVUFYPCXCDIS-UHFFFAOYSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001486146817 1396179994 /nfs/dbraw/zinc/17/99/94/1396179994.db2.gz OPANFILNOORXHJ-PXNSSMCTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)[C@H]1C ZINC001486186504 1396181655 /nfs/dbraw/zinc/18/16/55/1396181655.db2.gz KBVKKAJNGYPGQK-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP CN(CCC[N@H+](C)Cc1cc2ccccc2s1)C(=O)CC[NH+](C)C ZINC001502371351 1396198448 /nfs/dbraw/zinc/19/84/48/1396198448.db2.gz IBNOKOWCCQXAHB-UHFFFAOYSA-N 2 0 347.528 3.133 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001502751404 1396227536 /nfs/dbraw/zinc/22/75/36/1396227536.db2.gz PQUVUSGKQBPMHL-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001503457920 1396255316 /nfs/dbraw/zinc/25/53/16/1396255316.db2.gz KBXALFYMXIHUOK-ROUUACIJSA-N 2 0 345.531 3.191 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC2CCC2)C1 ZINC001491966454 1396301580 /nfs/dbraw/zinc/30/15/80/1396301580.db2.gz ZFUPOBTZXWTETL-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001493825182 1396343236 /nfs/dbraw/zinc/34/32/36/1396343236.db2.gz CNOZVOQBTVPCPJ-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001493831339 1396343553 /nfs/dbraw/zinc/34/35/53/1396343553.db2.gz NITNEDHMTFUVOM-SHCNBLLESA-N 2 0 347.547 3.188 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001494862088 1396501252 /nfs/dbraw/zinc/50/12/52/1396501252.db2.gz HDOWOQSKQIZKLJ-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001495918524 1396572245 /nfs/dbraw/zinc/57/22/45/1396572245.db2.gz MMCPZRUMJMOECC-SFHVURJKSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(CC)cc1 ZINC001496084430 1396598956 /nfs/dbraw/zinc/59/89/56/1396598956.db2.gz WPQOMLLKPMLHLP-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001496325659 1396650543 /nfs/dbraw/zinc/65/05/43/1396650543.db2.gz JFZFZCZFNWQXOW-SFHVURJKSA-N 2 0 339.568 3.418 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001496415246 1396698758 /nfs/dbraw/zinc/69/87/58/1396698758.db2.gz OHEGXJGCZZBVCO-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)cc1C ZINC001496576194 1396716813 /nfs/dbraw/zinc/71/68/13/1396716813.db2.gz WTUYYHXSJCWBJX-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001689097379 1396904228 /nfs/dbraw/zinc/90/42/28/1396904228.db2.gz ZYFUREFWQPGBRP-SQNIBIBYSA-N 2 0 337.552 3.124 10 0 EGAERP O=C(N[C@H]1CCC[C@H]1C[NH2+]CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001699021550 1406856035 /nfs/dbraw/zinc/85/60/35/1406856035.db2.gz LAYJEZGINOPYOC-OALUTQOASA-N 2 0 347.547 3.070 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)[C@H]1CC ZINC001689181672 1396962407 /nfs/dbraw/zinc/96/24/07/1396962407.db2.gz VINSLWISUSYOGR-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]1CC ZINC001689192790 1396966321 /nfs/dbraw/zinc/96/63/21/1396966321.db2.gz RZGAJLLTBVHBFN-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001689265278 1396997127 /nfs/dbraw/zinc/99/71/27/1396997127.db2.gz QWUPPVGKTITXJT-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001689271087 1397004882 /nfs/dbraw/zinc/00/48/82/1397004882.db2.gz BWROZOIPVFROST-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001689271816 1397007406 /nfs/dbraw/zinc/00/74/06/1397007406.db2.gz QUOPGRNJIWCBNG-LJQANCHMSA-N 2 0 337.552 3.413 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001498492381 1397036277 /nfs/dbraw/zinc/03/62/77/1397036277.db2.gz UUONQGVBNBRRKQ-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001689363259 1403701099 /nfs/dbraw/zinc/70/10/99/1403701099.db2.gz QBZRVRBLXZLIIL-JTHGQSKGSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689906770 1404199872 /nfs/dbraw/zinc/19/98/72/1404199872.db2.gz UVMCCRYJLNJJKD-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCCC(C)(C)C ZINC001689951933 1404221859 /nfs/dbraw/zinc/22/18/59/1404221859.db2.gz OJBIOOREFVSKNT-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001690198736 1404408824 /nfs/dbraw/zinc/40/88/24/1404408824.db2.gz AJVHPFBTBVCSDK-FQEVSTJZSA-N 2 0 349.563 3.389 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001690318036 1404474777 /nfs/dbraw/zinc/47/47/77/1404474777.db2.gz OAEAJEOAXQXHCP-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CCCCC3)CC[C@H]21 ZINC001690317901 1404475142 /nfs/dbraw/zinc/47/51/42/1404475142.db2.gz MIJLJIVUDFPHMD-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCC[N@H+](CC2CCCCC2)C1 ZINC001690392262 1404533764 /nfs/dbraw/zinc/53/37/64/1404533764.db2.gz TXHAUHGNNWSNDO-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690538572 1404626323 /nfs/dbraw/zinc/62/63/23/1404626323.db2.gz JZIORDHYDHBHBQ-SQNHLAQESA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690727875 1404698596 /nfs/dbraw/zinc/69/85/96/1404698596.db2.gz FSIBRYSGTLAVSQ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690757574 1404712151 /nfs/dbraw/zinc/71/21/51/1404712151.db2.gz LTGBBKRUWIOFHK-LJQANCHMSA-N 2 0 345.531 3.236 10 0 EGAERP CCC[NH2+]CCc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001690795434 1404738038 /nfs/dbraw/zinc/73/80/38/1404738038.db2.gz SVDVZLLHNWFCSR-UHFFFAOYSA-N 2 0 345.531 3.109 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001690842915 1404772285 /nfs/dbraw/zinc/77/22/85/1404772285.db2.gz HKCVVVNKFDGAOU-KRWDZBQOSA-N 2 0 335.536 3.236 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@H]2CCCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690905767 1404814795 /nfs/dbraw/zinc/81/47/95/1404814795.db2.gz NUKMITKCJMDKLA-CTWPCTMYSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCC2CCCC2)CC1 ZINC001690907812 1404817357 /nfs/dbraw/zinc/81/73/57/1404817357.db2.gz PXCPHKWYKSYSTO-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CC2(CCC2)C1 ZINC001691048262 1404961870 /nfs/dbraw/zinc/96/18/70/1404961870.db2.gz VLYDHTXMGZHHSW-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001691061479 1404985202 /nfs/dbraw/zinc/98/52/02/1404985202.db2.gz GTCLSCVOMMMNMA-LXORQPIJSA-N 2 0 335.536 3.138 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1Cc1ccc(C(C)C)cc1 ZINC001691068207 1404995545 /nfs/dbraw/zinc/99/55/45/1404995545.db2.gz JQRJNRCDBIHIFS-FQEVSTJZSA-N 2 0 345.531 3.185 10 0 EGAERP CN(C[C@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001691067916 1404995958 /nfs/dbraw/zinc/99/59/58/1404995958.db2.gz CLZLVVUUGGGUIM-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691142986 1405076915 /nfs/dbraw/zinc/07/69/15/1405076915.db2.gz HVUOJLDAKPGBGF-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001691157663 1405092510 /nfs/dbraw/zinc/09/25/10/1405092510.db2.gz YNVVGMJJJZPMQE-QZTJIDSGSA-N 2 0 345.531 3.261 10 0 EGAERP CC(C)(C(=O)NCC[N@H+](CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001691219429 1405158859 /nfs/dbraw/zinc/15/88/59/1405158859.db2.gz FJJHCUPSSWDZDY-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691246963 1405180759 /nfs/dbraw/zinc/18/07/59/1405180759.db2.gz FNSVILZXQBWSLD-GBESFXJTSA-N 2 0 345.531 3.272 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C)[C@H]2CC[NH2+]CC2CCC2)CC1 ZINC001691304616 1405199257 /nfs/dbraw/zinc/19/92/57/1405199257.db2.gz CYIPQRNAYJZLCA-UYAOXDASSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001691401325 1405237817 /nfs/dbraw/zinc/23/78/17/1405237817.db2.gz FPWLWUVNPFTRTH-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001691402666 1405240486 /nfs/dbraw/zinc/24/04/86/1405240486.db2.gz PWGPSXPWFCXVEZ-MSOLQXFVSA-N 2 0 337.552 3.076 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCCCC[C@H]([NH2+]CCC(C)C)C1 ZINC001691621158 1405362141 /nfs/dbraw/zinc/36/21/41/1405362141.db2.gz SVUMIRXIRTTWNU-ZWKOTPCHSA-N 2 0 343.531 3.073 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001691674784 1405408593 /nfs/dbraw/zinc/40/85/93/1405408593.db2.gz LYHROZIUTNDKHK-MOPGFXCFSA-N 2 0 345.531 3.239 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001691733395 1405456147 /nfs/dbraw/zinc/45/61/47/1405456147.db2.gz PNRLNUFAVYRXCH-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001691793401 1405503135 /nfs/dbraw/zinc/50/31/35/1405503135.db2.gz WIRUOEYBJFOMMN-FQEVSTJZSA-N 2 0 345.531 3.212 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001691799040 1405511624 /nfs/dbraw/zinc/51/16/24/1405511624.db2.gz ZQRHWCDPNDMIOJ-VOFKWLDRSA-N 2 0 335.536 3.142 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC001691866996 1405587789 /nfs/dbraw/zinc/58/77/89/1405587789.db2.gz KTMLTEWNAXRTTG-QUCCMNQESA-N 2 0 345.531 3.401 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001731421026 1427398997 /nfs/dbraw/zinc/39/89/97/1427398997.db2.gz CIQBTZWJVJHGCT-ICSRJNTNSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001691893331 1405616167 /nfs/dbraw/zinc/61/61/67/1405616167.db2.gz PAKUSMZMPTWWDN-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]C/C=C/Cl)[NH+](CC)CC ZINC001692086010 1405766273 /nfs/dbraw/zinc/76/62/73/1405766273.db2.gz LGKNFUIKQKWGQJ-OLJMIQMZSA-N 2 0 343.943 3.076 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCCC[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001731760441 1427863479 /nfs/dbraw/zinc/86/34/79/1427863479.db2.gz DXBYUNIGKKBHGE-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1C ZINC001692236485 1405863280 /nfs/dbraw/zinc/86/32/80/1405863280.db2.gz CZXNCZRFHUEEEV-XCLUONLBSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001692260542 1405889586 /nfs/dbraw/zinc/88/95/86/1405889586.db2.gz HCFLXBYMQYOYFQ-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692318590 1405937857 /nfs/dbraw/zinc/93/78/57/1405937857.db2.gz DXCRGDCMQLIHTO-GUDVDZBRSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]C[C@H](C)CC)C1 ZINC001692332920 1405951985 /nfs/dbraw/zinc/95/19/85/1405951985.db2.gz IQWACMROMRYSDA-QZTJIDSGSA-N 2 0 325.541 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001692368110 1405977360 /nfs/dbraw/zinc/97/73/60/1405977360.db2.gz ICCQMUKRKYOLSX-FVCDOPQVSA-N 2 0 347.547 3.329 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698569911 1406173639 /nfs/dbraw/zinc/17/36/39/1406173639.db2.gz BKAPCRUUTUHJIZ-PXDRNWIDSA-N 2 0 343.515 3.251 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001698570411 1406174856 /nfs/dbraw/zinc/17/48/56/1406174856.db2.gz UKCRBMISUQDIGD-MSOLQXFVSA-N 2 0 339.568 3.466 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698602312 1406228595 /nfs/dbraw/zinc/22/85/95/1406228595.db2.gz XIJHHHQJRMSMDM-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732021475 1428238966 /nfs/dbraw/zinc/23/89/66/1428238966.db2.gz DSSSGJXNGRGPAB-IEBWSBKVSA-N 2 0 343.515 3.108 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC001732022065 1428239265 /nfs/dbraw/zinc/23/92/65/1428239265.db2.gz IEYQCPFEIOHMLC-VQTJNVASSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732022468 1428239906 /nfs/dbraw/zinc/23/99/06/1428239906.db2.gz KGHZGUIAYODHSE-IBGZPJMESA-N 2 0 341.499 3.028 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)c2ccccc2)C1 ZINC001732025244 1428243292 /nfs/dbraw/zinc/24/32/92/1428243292.db2.gz AEYKFPZEPVYSAB-MOPGFXCFSA-N 2 0 345.531 3.212 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732051129 1428290950 /nfs/dbraw/zinc/29/09/50/1428290950.db2.gz OJBWRYGRFXVFEG-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001732060944 1428310252 /nfs/dbraw/zinc/31/02/52/1428310252.db2.gz JGRWZAVESFKLAY-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732073112 1428322384 /nfs/dbraw/zinc/32/23/84/1428322384.db2.gz ODEFXMRIKYLHFV-YXPHPVBUSA-N 2 0 349.563 3.243 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001732076452 1428328221 /nfs/dbraw/zinc/32/82/21/1428328221.db2.gz OHFZNTCTMYNNEW-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001732163844 1428406199 /nfs/dbraw/zinc/40/61/99/1428406199.db2.gz WCMHRJFMPDRXCU-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001732166062 1428408311 /nfs/dbraw/zinc/40/83/11/1428408311.db2.gz UKTAJFBBGJNMCR-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732185939 1428435352 /nfs/dbraw/zinc/43/53/52/1428435352.db2.gz JOPUVVHRXVHGTD-HJCTWCACSA-N 2 0 337.552 3.243 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001732307645 1428522202 /nfs/dbraw/zinc/52/22/02/1428522202.db2.gz INCPXFBEQIFMTO-GYMRMKKLSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001732312230 1428524835 /nfs/dbraw/zinc/52/48/35/1428524835.db2.gz SOGTWYCFNOXLQD-VJANTYMQSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001732326270 1428534685 /nfs/dbraw/zinc/53/46/85/1428534685.db2.gz WPZZSFGPTLTLMG-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001732397464 1428564538 /nfs/dbraw/zinc/56/45/38/1428564538.db2.gz WVSORBXELJYSSS-GOSISDBHSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCCC1 ZINC001732392627 1428561557 /nfs/dbraw/zinc/56/15/57/1428561557.db2.gz NHSNAPDHXLVDNX-IBGZPJMESA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001732396570 1428563807 /nfs/dbraw/zinc/56/38/07/1428563807.db2.gz DBZFPZWZEXFAMN-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001732400585 1428566517 /nfs/dbraw/zinc/56/65/17/1428566517.db2.gz UPNHFFBQKQUAFF-UHFFFAOYSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001732423114 1428575129 /nfs/dbraw/zinc/57/51/29/1428575129.db2.gz OOHRVPQUIWXZRG-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732430983 1428577727 /nfs/dbraw/zinc/57/77/27/1428577727.db2.gz XBKCOLLVPVKNEI-XHPSBEMXSA-N 2 0 328.460 3.049 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433327 1428578700 /nfs/dbraw/zinc/57/87/00/1428578700.db2.gz LRPITSDVRYVAAE-LXPRWKDFSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001732494523 1428615962 /nfs/dbraw/zinc/61/59/62/1428615962.db2.gz JSPHHZQTVVBAOY-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001732523054 1428641907 /nfs/dbraw/zinc/64/19/07/1428641907.db2.gz FEUQVGCFTDFWBF-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732532711 1428653318 /nfs/dbraw/zinc/65/33/18/1428653318.db2.gz QGVFXJPTPCVDOF-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699162863 1412545904 /nfs/dbraw/zinc/54/59/04/1412545904.db2.gz ZUUJPELSAGXHHN-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C(C)C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001699204781 1412572812 /nfs/dbraw/zinc/57/28/12/1412572812.db2.gz WFRZRXIFZWNANY-GOSISDBHSA-N 2 0 345.531 3.090 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001699396777 1412711378 /nfs/dbraw/zinc/71/13/78/1412711378.db2.gz KOQORVPKABIUDS-QZTJIDSGSA-N 2 0 345.531 3.108 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001699421413 1412736285 /nfs/dbraw/zinc/73/62/85/1412736285.db2.gz KOQORVPKABIUDS-ROUUACIJSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001699443818 1412775270 /nfs/dbraw/zinc/77/52/70/1412775270.db2.gz BCYWHUOSTVWWJO-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001699453394 1412795228 /nfs/dbraw/zinc/79/52/28/1412795228.db2.gz LPZBXIHMFZLRRG-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1ccccc1Cl ZINC001699474967 1412866315 /nfs/dbraw/zinc/86/63/15/1412866315.db2.gz ZOKLBPXOVVCIGL-LSDHHAIUSA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001699518952 1412902018 /nfs/dbraw/zinc/90/20/18/1412902018.db2.gz LOXOLGSAABWBEA-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699538488 1412912874 /nfs/dbraw/zinc/91/28/74/1412912874.db2.gz MMGYVPZJDMQWEB-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(N[C@H](C[NH2+]CC1CCC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699590114 1412948182 /nfs/dbraw/zinc/94/81/82/1412948182.db2.gz SYYMMEOFUPJMMS-WOJBJXKFSA-N 2 0 347.547 3.068 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001699682089 1413076353 /nfs/dbraw/zinc/07/63/53/1413076353.db2.gz FMNUCDIXYSQWEB-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001699731207 1413143758 /nfs/dbraw/zinc/14/37/58/1413143758.db2.gz CMYZNSBACZBOFC-HOCLYGCPSA-N 2 0 328.460 3.026 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699752780 1413159984 /nfs/dbraw/zinc/15/99/84/1413159984.db2.gz GCZIELHXUCXNLE-YIYNPQHWSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001699760493 1413166035 /nfs/dbraw/zinc/16/60/35/1413166035.db2.gz WQSAEZVWWYDQAS-FQEVSTJZSA-N 2 0 345.531 3.379 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001699766336 1413171314 /nfs/dbraw/zinc/17/13/14/1413171314.db2.gz FVJZEBLZZRTRET-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1 ZINC001699798644 1413208877 /nfs/dbraw/zinc/20/88/77/1413208877.db2.gz IYTQTHIWCRTESH-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2Cc1ccsc1 ZINC001699804160 1413216526 /nfs/dbraw/zinc/21/65/26/1413216526.db2.gz QFIJBENLXULEGG-MSOLQXFVSA-N 2 0 349.544 3.045 10 0 EGAERP C[C@@]1(C[NH2+]CC2CC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001699849485 1413279106 /nfs/dbraw/zinc/27/91/06/1413279106.db2.gz UIBUMCBQTUMRJZ-FPOVZHCZSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001699852433 1413282082 /nfs/dbraw/zinc/28/20/82/1413282082.db2.gz BLFAPYBRZFMFSK-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001699862131 1413297157 /nfs/dbraw/zinc/29/71/57/1413297157.db2.gz OKSIGQDDWBCVJX-YZBXUTEPSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699875079 1413329905 /nfs/dbraw/zinc/32/99/05/1413329905.db2.gz QTIPNTDIFNTCQY-OVKVCFKUSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001699937061 1413380445 /nfs/dbraw/zinc/38/04/45/1413380445.db2.gz ZLQVSODVKFHPAD-HXUWFJFHSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C[NH2+]CC1CCC1 ZINC001699964295 1413404836 /nfs/dbraw/zinc/40/48/36/1413404836.db2.gz YHNPORPIFJZBLQ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001700015342 1413461304 /nfs/dbraw/zinc/46/13/04/1413461304.db2.gz BEUQZTOEVRODSW-XUVXKRRUSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700086298 1413497226 /nfs/dbraw/zinc/49/72/26/1413497226.db2.gz CDBMAKMNSJUDGS-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001700142135 1413563542 /nfs/dbraw/zinc/56/35/42/1413563542.db2.gz POBDJTGZYFWGAP-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700178634 1413589828 /nfs/dbraw/zinc/58/98/28/1413589828.db2.gz KMMCECITNUDXOD-PSCPARJHSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C(/C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CCCC)CC1 ZINC001700196180 1413636781 /nfs/dbraw/zinc/63/67/81/1413636781.db2.gz AGAFLNWYKJLTIJ-GVBKOZKHSA-N 2 0 347.547 3.282 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001700228811 1413685299 /nfs/dbraw/zinc/68/52/99/1413685299.db2.gz GMRJUMXKQXCTOG-AZUAARDMSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001700284463 1413731114 /nfs/dbraw/zinc/73/11/14/1413731114.db2.gz VNQPIRHDFXOBFU-HKVCONOFSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001700287395 1413735595 /nfs/dbraw/zinc/73/55/95/1413735595.db2.gz KLVMXOYNMYPUND-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001700290554 1413741557 /nfs/dbraw/zinc/74/15/57/1413741557.db2.gz ALVKEISMXYEUIY-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700339939 1413818561 /nfs/dbraw/zinc/81/85/61/1413818561.db2.gz DOGSXIVXBJTUMH-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001700353301 1413850383 /nfs/dbraw/zinc/85/03/83/1413850383.db2.gz DVSCQXVQILUCMB-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700402608 1413938330 /nfs/dbraw/zinc/93/83/30/1413938330.db2.gz CANNCUACTFFFSW-CVEARBPZSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700463766 1414067249 /nfs/dbraw/zinc/06/72/49/1414067249.db2.gz MJVLEVAXTTXDSZ-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCCCC1 ZINC001700516105 1414167453 /nfs/dbraw/zinc/16/74/53/1414167453.db2.gz XFSGEELCZZSLSH-CEXWTWQISA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC2CC(C)(C)C2)CCCCC1 ZINC001700522112 1414178264 /nfs/dbraw/zinc/17/82/64/1414178264.db2.gz VQILRSUSTHISOM-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700540265 1414207300 /nfs/dbraw/zinc/20/73/00/1414207300.db2.gz ZRGAPHWCBRQCIR-LKGOPFMKSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001700545545 1414214121 /nfs/dbraw/zinc/21/41/21/1414214121.db2.gz JGCIKNTUSCQTAN-KDCRJJDASA-N 2 0 349.563 3.432 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)C1C[NH+](CC2CCC(C)CC2)C1 ZINC001700549559 1414218582 /nfs/dbraw/zinc/21/85/82/1414218582.db2.gz JHVKYGDACPSNFK-JLAWEPINSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1c(C(=O)N(C)CC[N@H+](C)CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001732587024 1428802469 /nfs/dbraw/zinc/80/24/69/1428802469.db2.gz SGJOVJHMWHDDSX-UHFFFAOYSA-N 2 0 330.476 3.083 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700852449 1414500456 /nfs/dbraw/zinc/50/04/56/1414500456.db2.gz ATOIBOMBWNVSIB-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001700864170 1414513930 /nfs/dbraw/zinc/51/39/30/1414513930.db2.gz DRISJFOQLCZYRW-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001700864242 1414515054 /nfs/dbraw/zinc/51/50/54/1414515054.db2.gz DZNAAWRXWSAOAL-DBXWQHBBSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001701024676 1414685886 /nfs/dbraw/zinc/68/58/86/1414685886.db2.gz HGMSMBMPOAFJBE-VNCLNFNDSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[N@H+]2CC=C(CNC(=O)C[NH+]3CCCC3)CC2)C1 ZINC001701061614 1414718318 /nfs/dbraw/zinc/71/83/18/1414718318.db2.gz SIWQZADEJRAQRH-MOPGFXCFSA-N 2 0 347.547 3.047 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001732605471 1428860137 /nfs/dbraw/zinc/86/01/37/1428860137.db2.gz IVHOYIDXWRDVQF-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc2cccc(C)c2)C1 ZINC001732719576 1428925906 /nfs/dbraw/zinc/92/59/06/1428925906.db2.gz MKSZTAAQUVEQOX-AZUAARDMSA-N 2 0 345.531 3.101 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732806536 1428985128 /nfs/dbraw/zinc/98/51/28/1428985128.db2.gz GTGQENMYBUKULW-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001732812210 1428990135 /nfs/dbraw/zinc/99/01/35/1428990135.db2.gz MIOVBESALAYYNO-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001732941873 1429066161 /nfs/dbraw/zinc/06/61/61/1429066161.db2.gz HCBZELMPCAJKLG-LIXSYLKWSA-N 2 0 349.563 3.339 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001733035866 1429160474 /nfs/dbraw/zinc/16/04/74/1429160474.db2.gz OUILUADHECNVPM-UXRNRCMTSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060271 1417175730 /nfs/dbraw/zinc/17/57/30/1417175730.db2.gz XPSWLOQVTHYQTR-YJJPMGAVSA-N 2 0 343.515 3.251 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)C)C2)CC[N@@H+]1C ZINC001707104446 1417203057 /nfs/dbraw/zinc/20/30/57/1417203057.db2.gz LLEYKILZGBCATQ-ZSYWTGECSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1CC[NH2+]CCC1CC1 ZINC001707147938 1417222308 /nfs/dbraw/zinc/22/23/08/1417222308.db2.gz YKTQMFISAHLOCC-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001707163770 1417226034 /nfs/dbraw/zinc/22/60/34/1417226034.db2.gz OQFUHNGSTCBPQL-KPDZFXRVSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001707279507 1417287786 /nfs/dbraw/zinc/28/77/86/1417287786.db2.gz ZLEGMTANUFHENZ-HEVSSNLLSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001707378439 1417301784 /nfs/dbraw/zinc/30/17/84/1417301784.db2.gz MGTJQCVKZBVFJZ-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001707438478 1417343201 /nfs/dbraw/zinc/34/32/01/1417343201.db2.gz IXQHODKTQKJRDJ-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C2CCC2)c1 ZINC001733045818 1429178718 /nfs/dbraw/zinc/17/87/18/1429178718.db2.gz SEAJTBSDGBHURB-ZWKOTPCHSA-N 2 0 345.531 3.285 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CCC2CCCC2)C1 ZINC001733049185 1429184572 /nfs/dbraw/zinc/18/45/72/1429184572.db2.gz ILDUEUSVDJYINA-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001712951654 1417510517 /nfs/dbraw/zinc/51/05/17/1417510517.db2.gz VXSGPOPWTMMHOM-GOSISDBHSA-N 2 0 331.504 3.060 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)CC2=CCCCC2)c1 ZINC001712990496 1417542265 /nfs/dbraw/zinc/54/22/65/1417542265.db2.gz ASVWLJFEWXQJGH-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054114 1429195292 /nfs/dbraw/zinc/19/52/92/1429195292.db2.gz NCMGASWHKPEZJZ-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)CC1CCC1 ZINC001713012856 1417566556 /nfs/dbraw/zinc/56/65/56/1417566556.db2.gz BKBIVPAWJAONGB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001713102164 1417656777 /nfs/dbraw/zinc/65/67/77/1417656777.db2.gz OFJDCKDEPKIEBX-HKUYNNGSSA-N 2 0 335.536 3.116 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713135839 1417715770 /nfs/dbraw/zinc/71/57/70/1417715770.db2.gz RRRKHVOZBIYLGB-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCC1 ZINC001713182240 1417757274 /nfs/dbraw/zinc/75/72/74/1417757274.db2.gz KJYVEPVNNSTXCC-NXEWRWPSSA-N 2 0 347.547 3.019 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713230706 1417817773 /nfs/dbraw/zinc/81/77/73/1417817773.db2.gz INCHKXGYIYPSRC-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)N2CCC[C@@H](C[NH2+]CCC(C)C)C2)ccc2c[nH+]cn21 ZINC001713233921 1417820795 /nfs/dbraw/zinc/82/07/95/1417820795.db2.gz CLMRCSCQAPRZNX-KRWDZBQOSA-N 2 0 342.487 3.131 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2CCC2=CCCCC2)CCC1 ZINC001713253161 1417846609 /nfs/dbraw/zinc/84/66/09/1417846609.db2.gz ORLLYZJFNIFFPC-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+]1Cc1ccsc1 ZINC001713253577 1417847537 /nfs/dbraw/zinc/84/75/37/1417847537.db2.gz SSACHNUBMUKXOO-QZTJIDSGSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001713278446 1417901890 /nfs/dbraw/zinc/90/18/90/1417901890.db2.gz DXVHXCBVBLODOZ-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001713316684 1417942144 /nfs/dbraw/zinc/94/21/44/1417942144.db2.gz WYYYVLNYPWOZHX-MOPGFXCFSA-N 2 0 345.531 3.081 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713351632 1417970249 /nfs/dbraw/zinc/97/02/49/1417970249.db2.gz IWZMBRMQGGJPND-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713351631 1417970399 /nfs/dbraw/zinc/97/03/99/1417970399.db2.gz IWZMBRMQGGJPND-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC(C)(C)C)C1 ZINC001713357668 1417973771 /nfs/dbraw/zinc/97/37/71/1417973771.db2.gz YPVLACCNHHOPQS-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713398957 1418018555 /nfs/dbraw/zinc/01/85/55/1418018555.db2.gz BNFLUDKJNNHSPK-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713407327 1418030459 /nfs/dbraw/zinc/03/04/59/1418030459.db2.gz AGVYIVRUHGRPLE-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713438351 1418070916 /nfs/dbraw/zinc/07/09/16/1418070916.db2.gz AHNPIFBDNABSGK-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001733079547 1429233647 /nfs/dbraw/zinc/23/36/47/1429233647.db2.gz NSCMOXOZDDBEJI-IKLBINMZSA-N 2 0 349.563 3.339 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CCC1=CCCCC1 ZINC001713455821 1418106053 /nfs/dbraw/zinc/10/60/53/1418106053.db2.gz RLHQQUDUWLFTRV-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001733082748 1429235859 /nfs/dbraw/zinc/23/58/59/1429235859.db2.gz HOMCNUARRRWYSY-WOJBJXKFSA-N 2 0 349.563 3.317 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC1CCCC1 ZINC001713496238 1418204953 /nfs/dbraw/zinc/20/49/53/1418204953.db2.gz NSDHIMKQGPAPTR-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515596 1418250593 /nfs/dbraw/zinc/25/05/93/1418250593.db2.gz XTCKJVUBBONVLT-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001713682895 1418435400 /nfs/dbraw/zinc/43/54/00/1418435400.db2.gz LCHNRTJDVZXXHQ-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001713684027 1418437237 /nfs/dbraw/zinc/43/72/37/1418437237.db2.gz GSTJXNCJXAEXBZ-PVTFFILZSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001713703764 1418462896 /nfs/dbraw/zinc/46/28/96/1418462896.db2.gz LGUAJHPPLIOIOT-VQTJNVASSA-N 2 0 345.531 3.352 10 0 EGAERP C[NH+](CC(=O)N1CC[C@@H](C[N@H+](C)CCC2=CCCCC2)C1)C1CCC1 ZINC001713751414 1418552923 /nfs/dbraw/zinc/55/29/23/1418552923.db2.gz USQYSRIZNDGENF-IBGZPJMESA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CCC)C1 ZINC001713767557 1418582385 /nfs/dbraw/zinc/58/23/85/1418582385.db2.gz XHODLDFIXRHPEF-OXUXSNCKSA-N 2 0 335.536 3.188 10 0 EGAERP CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001713781101 1418597570 /nfs/dbraw/zinc/59/75/70/1418597570.db2.gz PEIOMLDJXOEIDV-UHFFFAOYSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001713835212 1418633220 /nfs/dbraw/zinc/63/32/20/1418633220.db2.gz KTERJUYTEOJJPL-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714047684 1418843958 /nfs/dbraw/zinc/84/39/58/1418843958.db2.gz FQNXDZPUIHXRSO-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001714048138 1418845035 /nfs/dbraw/zinc/84/50/35/1418845035.db2.gz KRILURXATPIUSW-ICSRJNTNSA-N 2 0 343.515 3.084 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001714115270 1418917535 /nfs/dbraw/zinc/91/75/35/1418917535.db2.gz MEJIMSXWCZBBIB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001714124708 1418929188 /nfs/dbraw/zinc/92/91/88/1418929188.db2.gz GDPMOIVXVCACIQ-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001714132717 1418935715 /nfs/dbraw/zinc/93/57/15/1418935715.db2.gz BQQVNLBGECHEMY-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001714155916 1418965852 /nfs/dbraw/zinc/96/58/52/1418965852.db2.gz LBUSRVGGHKWAPS-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H](NC(=O)CCCC[NH+](C)C)[C@@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714155720 1418966063 /nfs/dbraw/zinc/96/60/63/1418966063.db2.gz JURSPJOMXWEKDH-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001714160776 1418971595 /nfs/dbraw/zinc/97/15/95/1418971595.db2.gz VNVNYFXJRCXHHA-PZJWPPBQSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714166139 1418975336 /nfs/dbraw/zinc/97/53/36/1418975336.db2.gz FDCUGBVFJCFYHK-WUMCHEGQSA-N 2 0 347.547 3.044 10 0 EGAERP CC[C@@H]([NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001714247553 1419034063 /nfs/dbraw/zinc/03/40/63/1419034063.db2.gz ZLQZFVKWQDZPTK-IEBWSBKVSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001714251246 1419036438 /nfs/dbraw/zinc/03/64/38/1419036438.db2.gz WGFXAPVTLAZYBV-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001714302038 1419082208 /nfs/dbraw/zinc/08/22/08/1419082208.db2.gz NDIYLAOZJQFBKT-UWCDRFHNSA-N 2 0 335.536 3.234 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001714310484 1419091161 /nfs/dbraw/zinc/09/11/61/1419091161.db2.gz UNELLKCLEZJPJI-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H]([NH2+]C/C=C\c2ccccc2)CC1 ZINC001714316770 1419095207 /nfs/dbraw/zinc/09/52/07/1419095207.db2.gz BQKQQEVPDBPTAF-JXQKNWOYSA-N 2 0 343.515 3.057 10 0 EGAERP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001714321113 1419099360 /nfs/dbraw/zinc/09/93/60/1419099360.db2.gz NTQZEWBNHKAHIO-ZWOKBUDYSA-N 2 0 345.531 3.169 10 0 EGAERP CC[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCCC(C)C ZINC001733202920 1429308323 /nfs/dbraw/zinc/30/83/23/1429308323.db2.gz TXLJEVZLNBHLFD-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CC[C@H](C)C1)CC2 ZINC001714366304 1419126499 /nfs/dbraw/zinc/12/64/99/1419126499.db2.gz NQQAHBOQLZUEOO-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001714406130 1419147791 /nfs/dbraw/zinc/14/77/91/1419147791.db2.gz DLAHWLKRVOYXAM-CQSZACIVSA-N 2 0 342.487 3.034 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714455702 1419188294 /nfs/dbraw/zinc/18/82/94/1419188294.db2.gz YQUZCBFUNBCYFD-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001714496922 1419221841 /nfs/dbraw/zinc/22/18/41/1419221841.db2.gz HRNLRHSHXPAXMP-IBGZPJMESA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CC3CCC(C)CC3)CCCC2)C1 ZINC001714505846 1419232835 /nfs/dbraw/zinc/23/28/35/1419232835.db2.gz VZEVGJXGZUVZFW-XBMUEBEBSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714641272 1419413724 /nfs/dbraw/zinc/41/37/24/1419413724.db2.gz UQHCYZZNUBEJOK-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)Cc1ccsc1 ZINC001714656027 1419437773 /nfs/dbraw/zinc/43/77/73/1419437773.db2.gz UQHITMNEZJALIC-ROUUACIJSA-N 2 0 349.544 3.093 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1ccsc1 ZINC001714656026 1419437794 /nfs/dbraw/zinc/43/77/94/1419437794.db2.gz UQHITMNEZJALIC-QZTJIDSGSA-N 2 0 349.544 3.093 10 0 EGAERP Cc1cn(C(C)(C)C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C)cn1 ZINC001714669209 1419458302 /nfs/dbraw/zinc/45/83/02/1419458302.db2.gz MZOLQIAUELWSTA-MRXNPFEDSA-N 2 0 336.524 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001714797754 1419513758 /nfs/dbraw/zinc/51/37/58/1419513758.db2.gz OIWHBENHVJRBCK-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001714814076 1419524868 /nfs/dbraw/zinc/52/48/68/1419524868.db2.gz UBGICGYEPNEBNU-IEBWSBKVSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CCCCC1 ZINC001714831333 1419541737 /nfs/dbraw/zinc/54/17/37/1419541737.db2.gz ZAZAKXBLWRBJLM-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714869131 1419598094 /nfs/dbraw/zinc/59/80/94/1419598094.db2.gz SBXACGVYHAWSBZ-KRWDZBQOSA-N 2 0 340.471 3.051 10 0 EGAERP CCCN(C(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714872052 1419602844 /nfs/dbraw/zinc/60/28/44/1419602844.db2.gz LHYDDOXRPSCYBX-SFHVURJKSA-N 2 0 337.552 3.243 10 0 EGAERP CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2CC)cc1 ZINC001714881992 1419619158 /nfs/dbraw/zinc/61/91/58/1419619158.db2.gz PSCGBPYLXCJUIX-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714887199 1419627905 /nfs/dbraw/zinc/62/79/05/1419627905.db2.gz VSOMNCUIXQKXKP-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001714900254 1419641073 /nfs/dbraw/zinc/64/10/73/1419641073.db2.gz SVHONWSAJFCBGU-ICSRJNTNSA-N 2 0 349.563 3.220 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001715040621 1419779215 /nfs/dbraw/zinc/77/92/15/1419779215.db2.gz RRFGOOFIMPUEDU-MSOLQXFVSA-N 2 0 349.544 3.045 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1 ZINC001715047777 1419788738 /nfs/dbraw/zinc/78/87/38/1419788738.db2.gz RZOXWDGJSRUQPN-IBGZPJMESA-N 2 0 345.531 3.066 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715066860 1419803470 /nfs/dbraw/zinc/80/34/70/1419803470.db2.gz VOWQUMJWACCUSS-UYAOXDASSA-N 2 0 345.531 3.081 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001715113307 1419857159 /nfs/dbraw/zinc/85/71/59/1419857159.db2.gz OREWUFDGUNTJFU-FPOVZHCZSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001715150977 1419895465 /nfs/dbraw/zinc/89/54/65/1419895465.db2.gz YUUJLGUZUHJCPX-LPHOPBHVSA-N 2 0 325.541 3.029 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715186776 1419919507 /nfs/dbraw/zinc/91/95/07/1419919507.db2.gz JZIORDHYDHBHBQ-SHOKJUJBSA-N 2 0 349.563 3.482 10 0 EGAERP CCC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715188018 1419920515 /nfs/dbraw/zinc/92/05/15/1419920515.db2.gz CJZYYYQWDAIDMQ-PFRNKHFKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001715189690 1419921783 /nfs/dbraw/zinc/92/17/83/1419921783.db2.gz NFXARSOSNHDVNS-GUDVDZBRSA-N 2 0 337.552 3.312 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001715202275 1419935550 /nfs/dbraw/zinc/93/55/50/1419935550.db2.gz PNWGIOWGKYKSEH-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCCC2)CC[N@@H+]1C ZINC001715300265 1420007707 /nfs/dbraw/zinc/00/77/07/1420007707.db2.gz VNWMLZXRGMGMAS-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001715305878 1420014584 /nfs/dbraw/zinc/01/45/84/1420014584.db2.gz GNQLXDNFKMCXSG-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001715385721 1420082761 /nfs/dbraw/zinc/08/27/61/1420082761.db2.gz ANSOIBMFUBYJFZ-QFBILLFUSA-N 2 0 349.494 3.103 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001715392558 1420090155 /nfs/dbraw/zinc/09/01/55/1420090155.db2.gz MPRYVTDMYMQJMU-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001715402671 1420101694 /nfs/dbraw/zinc/10/16/94/1420101694.db2.gz SZYUCSGABFVHAE-LJQANCHMSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCCC1 ZINC001715404317 1420103180 /nfs/dbraw/zinc/10/31/80/1420103180.db2.gz ZTZIQKVYIOZBJL-IHPCNDPISA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC2CCCCC2)CC1 ZINC001733247312 1429393356 /nfs/dbraw/zinc/39/33/56/1429393356.db2.gz AHXQFZXHAHDNQQ-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001715447970 1420131756 /nfs/dbraw/zinc/13/17/56/1420131756.db2.gz TZXWMFFENRGUAI-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001715458605 1420139257 /nfs/dbraw/zinc/13/92/57/1420139257.db2.gz LGNIPSGFAUQYBP-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001715692359 1420297469 /nfs/dbraw/zinc/29/74/69/1420297469.db2.gz OWVUFZVUPBQSIR-IBGZPJMESA-N 2 0 345.531 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(F)c1 ZINC001715828643 1420358795 /nfs/dbraw/zinc/35/87/95/1420358795.db2.gz XSGWHQVRKFBCTC-QFWHCPKTSA-N 2 0 347.478 3.023 10 0 EGAERP Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001715927455 1420401984 /nfs/dbraw/zinc/40/19/84/1420401984.db2.gz GUMOYQDVNTVWKB-QUCCMNQESA-N 2 0 345.531 3.079 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715942654 1420412965 /nfs/dbraw/zinc/41/29/65/1420412965.db2.gz BFINWJJPSUBNEK-SJORKVTESA-N 2 0 331.504 3.025 10 0 EGAERP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@@H]1CCc2ccccc21)[NH+](CC)CC ZINC001715960593 1420427442 /nfs/dbraw/zinc/42/74/42/1420427442.db2.gz WIHOZXIBGSXKLM-WOJBJXKFSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001716021866 1420476558 /nfs/dbraw/zinc/47/65/58/1420476558.db2.gz CDYIDUMZPRMLRD-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001716029793 1420488181 /nfs/dbraw/zinc/48/81/81/1420488181.db2.gz HQGDGDNLAOGCFZ-KRWDZBQOSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716035868 1420495615 /nfs/dbraw/zinc/49/56/15/1420495615.db2.gz BLPJXAHUQLGAJI-LNLFQRSKSA-N 2 0 337.552 3.124 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716244339 1420579660 /nfs/dbraw/zinc/57/96/60/1420579660.db2.gz WVMLRRCVVNGESN-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716416274 1420645015 /nfs/dbraw/zinc/64/50/15/1420645015.db2.gz BHFUWLBNOZQBLM-LXPRWKDFSA-N 2 0 345.531 3.282 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C[NH2+]Cc1ccsc1)c1ccccc1 ZINC001716419074 1420646976 /nfs/dbraw/zinc/64/69/76/1420646976.db2.gz OVSFVMKREOZOSI-CRAIPNDOSA-N 2 0 345.512 3.035 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001716446799 1420664606 /nfs/dbraw/zinc/66/46/06/1420664606.db2.gz MWKTWNJKOIGVSU-INIZCTEOSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716449908 1420665970 /nfs/dbraw/zinc/66/59/70/1420665970.db2.gz FCKOBKKRHOCMBS-BQFCYCMXSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001716507706 1420739591 /nfs/dbraw/zinc/73/95/91/1420739591.db2.gz GGBZQJADEYTQTD-MRXNPFEDSA-N 2 0 333.520 3.235 10 0 EGAERP O=C(N[C@H](C[NH2+]CCCC1CCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001716614738 1420778916 /nfs/dbraw/zinc/77/89/16/1420778916.db2.gz CAJRKEJNGZVCPI-LJQANCHMSA-N 2 0 347.547 3.070 10 0 EGAERP CC[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)C ZINC001716636845 1420794264 /nfs/dbraw/zinc/79/42/64/1420794264.db2.gz MVWXFLOMOFLYTL-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2=CCCCC2)[C@@H](CC)C1 ZINC001716639721 1420796741 /nfs/dbraw/zinc/79/67/41/1420796741.db2.gz RWRKDMXNCXVBAM-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665219 1420819958 /nfs/dbraw/zinc/81/99/58/1420819958.db2.gz IRFVSWUWRYZBBG-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001716734572 1420893031 /nfs/dbraw/zinc/89/30/31/1420893031.db2.gz CBHUGVOVIMRSER-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001716734613 1420893456 /nfs/dbraw/zinc/89/34/56/1420893456.db2.gz CVHRTXJXRWZUIP-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001716753515 1420904564 /nfs/dbraw/zinc/90/45/64/1420904564.db2.gz ITHMCHJPITVPEC-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)CC(C)(C)C ZINC001716784805 1420921265 /nfs/dbraw/zinc/92/12/65/1420921265.db2.gz JEBXLJQSVDGFJM-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001716799601 1420932542 /nfs/dbraw/zinc/93/25/42/1420932542.db2.gz ZFNSCHSSVHOJKV-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)C1 ZINC001716864094 1420993570 /nfs/dbraw/zinc/99/35/70/1420993570.db2.gz ACDLWNXYSPKXOW-YZKSSJSGSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@]1(C[NH2+]CCCC2CCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001716869420 1420997398 /nfs/dbraw/zinc/99/73/98/1420997398.db2.gz PXCSGJYQSUVPJD-HXUWFJFHSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001716967392 1421055806 /nfs/dbraw/zinc/05/58/06/1421055806.db2.gz SCCOTJBFILZQCS-RDJZCZTQSA-N 2 0 340.471 3.049 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001716999979 1421070441 /nfs/dbraw/zinc/07/04/41/1421070441.db2.gz YMNBTBVMPLYSPE-GGPHIMKMSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCC1 ZINC001717038777 1421093362 /nfs/dbraw/zinc/09/33/62/1421093362.db2.gz RDGDJWFZIAZDFY-UXHICEINSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001717159554 1421149367 /nfs/dbraw/zinc/14/93/67/1421149367.db2.gz KHIUBSCJDGEXHY-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001717210273 1421183221 /nfs/dbraw/zinc/18/32/21/1421183221.db2.gz DKJVXGLQZLNWBM-BJLQDIEVSA-N 2 0 345.531 3.258 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717239299 1421207655 /nfs/dbraw/zinc/20/76/55/1421207655.db2.gz GJFGFUMYSHOUAT-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001717242279 1421210748 /nfs/dbraw/zinc/21/07/48/1421210748.db2.gz SKBWHNYKUZGZST-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001717242216 1421210894 /nfs/dbraw/zinc/21/08/94/1421210894.db2.gz PVYXJXIFZPUEEY-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001717248209 1421219481 /nfs/dbraw/zinc/21/94/81/1421219481.db2.gz WSGNJDQRCYYIOP-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001717290993 1421237689 /nfs/dbraw/zinc/23/76/89/1421237689.db2.gz SSPNTHVUVVNVGM-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001717293709 1421239214 /nfs/dbraw/zinc/23/92/14/1421239214.db2.gz RFJLILOCQDLCSD-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001717337996 1421275274 /nfs/dbraw/zinc/27/52/74/1421275274.db2.gz ONAZQTWJPJSQLP-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717336981 1421274122 /nfs/dbraw/zinc/27/41/22/1421274122.db2.gz IKLSOWOKNURFRI-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001717446800 1421376572 /nfs/dbraw/zinc/37/65/72/1421376572.db2.gz LFPYDFJWZQEYJT-QHGAOEGBSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001717458891 1421388139 /nfs/dbraw/zinc/38/81/39/1421388139.db2.gz IURPQMWQZOUFEC-MSOLQXFVSA-N 2 0 337.552 3.147 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CCC(C)(C)C ZINC001717471381 1421404292 /nfs/dbraw/zinc/40/42/92/1421404292.db2.gz ASQVEQLUWPTZOJ-INIZCTEOSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC(C)(C)C1 ZINC001717490029 1421428465 /nfs/dbraw/zinc/42/84/65/1421428465.db2.gz DNAAXRUVZVJMOV-AEFFLSMTSA-N 2 0 337.552 3.122 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001717524013 1421459392 /nfs/dbraw/zinc/45/93/92/1421459392.db2.gz MYZVKZNQJLMEKF-QZTJIDSGSA-N 2 0 335.536 3.212 10 0 EGAERP CC1CC(C[N@@H+]2CCCCC[C@H]2CNC(=O)CCCC[NH+](C)C)C1 ZINC001717540053 1421479831 /nfs/dbraw/zinc/47/98/31/1421479831.db2.gz IIFSRIJPDKHEAN-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717640657 1421545870 /nfs/dbraw/zinc/54/58/70/1421545870.db2.gz GGFCXEMABUCEHY-VJANTYMQSA-N 2 0 349.563 3.172 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001717642897 1421546657 /nfs/dbraw/zinc/54/66/57/1421546657.db2.gz KSHOBDUSFZCXCK-UAFMIMERSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001717650917 1421550782 /nfs/dbraw/zinc/55/07/82/1421550782.db2.gz JJQOSXXWIMFKLA-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001717652939 1421552209 /nfs/dbraw/zinc/55/22/09/1421552209.db2.gz WXFBFBLVPJNQMN-VAMGGRTRSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001717719656 1421588446 /nfs/dbraw/zinc/58/84/46/1421588446.db2.gz MMDSVTKICUDKQL-BHIYHBOVSA-N 2 0 349.563 3.027 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001717847283 1421661280 /nfs/dbraw/zinc/66/12/80/1421661280.db2.gz JYHCGALQWCHEOT-CEXWTWQISA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC(C)C)C(C)(C)C1 ZINC001717895003 1421692668 /nfs/dbraw/zinc/69/26/68/1421692668.db2.gz BTGRXWINKGSUDF-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)C[NH+]1CCCC1)C(C)C ZINC001717952953 1421724412 /nfs/dbraw/zinc/72/44/12/1421724412.db2.gz SVKNPUIRNPHDSE-UHFFFAOYSA-N 2 0 345.531 3.068 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001717966093 1421738077 /nfs/dbraw/zinc/73/80/77/1421738077.db2.gz BVXLJNIAXDHRSZ-QGZVFWFLSA-N 2 0 325.541 3.029 10 0 EGAERP CCCCC[NH2+]C1CC(N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717994307 1421762993 /nfs/dbraw/zinc/76/29/93/1421762993.db2.gz ZRWFAZQHEHSZFB-UHFFFAOYSA-N 2 0 328.460 3.026 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001733392358 1429582683 /nfs/dbraw/zinc/58/26/83/1429582683.db2.gz CMLLDPJDOQEGBS-HVXOQWJHSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001733393452 1429585279 /nfs/dbraw/zinc/58/52/79/1429585279.db2.gz VYQHYYZIOATZBX-NRFANRHFSA-N 2 0 349.563 3.366 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001733416263 1429620989 /nfs/dbraw/zinc/62/09/89/1429620989.db2.gz IZFAOCNHWHDTTR-WIYYLYMNSA-N 2 0 345.531 3.285 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001733425893 1429633449 /nfs/dbraw/zinc/63/34/49/1429633449.db2.gz NNFQVPHHYJKSIS-QKNQBKEWSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733450376 1429661883 /nfs/dbraw/zinc/66/18/83/1429661883.db2.gz IJYREUKJYPZLLI-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@](C)(CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001733466972 1429701192 /nfs/dbraw/zinc/70/11/92/1429701192.db2.gz BZNIFHXYDJFZCP-GZNCHQMQSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1)[NH+]1CCCC1 ZINC001722915477 1424251039 /nfs/dbraw/zinc/25/10/39/1424251039.db2.gz GZDWIMRPTNHIMB-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001722939602 1424266700 /nfs/dbraw/zinc/26/67/00/1424266700.db2.gz NCXXUQXEIYKOKH-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001723141645 1424306772 /nfs/dbraw/zinc/30/67/72/1424306772.db2.gz DXVYPLRJODGRMV-QGZVFWFLSA-N 2 0 349.494 3.028 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001723203492 1424320261 /nfs/dbraw/zinc/32/02/61/1424320261.db2.gz KIJJQRILEJTDQP-IBGZPJMESA-N 2 0 345.531 3.370 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001723439943 1424405866 /nfs/dbraw/zinc/40/58/66/1424405866.db2.gz RRFDHQUXRYPVSC-SFHVURJKSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001723609018 1424490799 /nfs/dbraw/zinc/49/07/99/1424490799.db2.gz NMIDRAMCJWRBHD-HCZHMGAMSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2CC[C@H](C)C2)CC1 ZINC001723649883 1424515816 /nfs/dbraw/zinc/51/58/16/1424515816.db2.gz ZHCZTNBLUUWIQD-SFHVURJKSA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001723727476 1424552220 /nfs/dbraw/zinc/55/22/20/1424552220.db2.gz SRYAHARHWDKAPS-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C(=O)N(C)C1C[NH+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001723794176 1424567900 /nfs/dbraw/zinc/56/79/00/1424567900.db2.gz BKFWYJODNDCIGY-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733537734 1429744071 /nfs/dbraw/zinc/74/40/71/1429744071.db2.gz WQJGNIJJUJNQAF-HEVSSNLLSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2CCCC2)c1 ZINC001724111052 1424669943 /nfs/dbraw/zinc/66/99/43/1424669943.db2.gz YOUDJXGEWVBLQJ-HXUWFJFHSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001724323341 1424809413 /nfs/dbraw/zinc/80/94/13/1424809413.db2.gz KKTJPEUPWKWMSS-FQEVSTJZSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724729043 1425081075 /nfs/dbraw/zinc/08/10/75/1425081075.db2.gz UIDHNIVANZUYGD-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001724745410 1425114312 /nfs/dbraw/zinc/11/43/12/1425114312.db2.gz ICGJTUVJGSRDRD-FXAWDEMLSA-N 2 0 345.531 3.484 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)C2)CC1 ZINC001724758928 1425129694 /nfs/dbraw/zinc/12/96/94/1425129694.db2.gz FESIKTYCXCBFBK-OALUTQOASA-N 2 0 347.547 3.118 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001724843501 1425193212 /nfs/dbraw/zinc/19/32/12/1425193212.db2.gz KFMPIWWADQWIKF-ICSRJNTNSA-N 2 0 345.531 3.450 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001724961377 1425350236 /nfs/dbraw/zinc/35/02/36/1425350236.db2.gz OIYYOUVVIYVNAJ-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724999037 1425407368 /nfs/dbraw/zinc/40/73/68/1425407368.db2.gz RHMRWALFYLNOLY-XOUUWWQPSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001725030833 1425450538 /nfs/dbraw/zinc/45/05/38/1425450538.db2.gz ZVVTZHXNVKXWSN-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCC1 ZINC001725060467 1425500720 /nfs/dbraw/zinc/50/07/20/1425500720.db2.gz URNBMDRLCQMCKN-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725063722 1425505560 /nfs/dbraw/zinc/50/55/60/1425505560.db2.gz ONKJWKIZBNVRNF-QLOJAFMTSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130527 1425599148 /nfs/dbraw/zinc/59/91/48/1425599148.db2.gz ROVFRUUOHGMMBB-CVEARBPZSA-N 2 0 325.541 3.026 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@@]23CC[N@H+](C2)CCC3)CCCCC1 ZINC001725228430 1425798576 /nfs/dbraw/zinc/79/85/76/1425798576.db2.gz FORNRNIFKGZROH-IBGZPJMESA-N 2 0 335.536 3.071 10 0 EGAERP CC(C)C[NH2+]CC1(NC(=O)CCC[NH+]2CCCCC2)CCCCC1 ZINC001725230415 1425802912 /nfs/dbraw/zinc/80/29/12/1425802912.db2.gz STOIKSPFLYYHEN-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725293183 1425939672 /nfs/dbraw/zinc/93/96/72/1425939672.db2.gz XTRWZHFBFKJRQM-DVBCCOPCSA-N 2 0 335.536 3.044 10 0 EGAERP CC1(C)C[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001725297610 1425946019 /nfs/dbraw/zinc/94/60/19/1425946019.db2.gz LDBBFTLTHDVVRT-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001725344904 1425996291 /nfs/dbraw/zinc/99/62/91/1425996291.db2.gz ILAFQFGTLIKOKY-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001725500850 1426181227 /nfs/dbraw/zinc/18/12/27/1426181227.db2.gz FYZLLTJLXJZWDH-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]21 ZINC001725635080 1426305738 /nfs/dbraw/zinc/30/57/38/1426305738.db2.gz VCCAVUFJYXKTKM-GBESFXJTSA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001725643679 1426323559 /nfs/dbraw/zinc/32/35/59/1426323559.db2.gz XXWWOUWWKWYKAK-UYAOXDASSA-N 2 0 335.536 3.166 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1cccc(F)c1 ZINC001725681913 1426369418 /nfs/dbraw/zinc/36/94/18/1426369418.db2.gz YQZDYSQNUIMLRV-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001725685762 1426372758 /nfs/dbraw/zinc/37/27/58/1426372758.db2.gz VFSJLRQTFVXFHU-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001725737679 1426412648 /nfs/dbraw/zinc/41/26/48/1426412648.db2.gz DWMJVRAIVDXRGA-ZWKOTPCHSA-N 2 0 339.568 3.416 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001725746149 1426424020 /nfs/dbraw/zinc/42/40/20/1426424020.db2.gz NFLSSMVXRPCKNV-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1ccccc1F ZINC001725754773 1426434348 /nfs/dbraw/zinc/43/43/48/1426434348.db2.gz INRBATJRUSVNCI-YJBOKZPZSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C2CC(N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001725783179 1426468209 /nfs/dbraw/zinc/46/82/09/1426468209.db2.gz HDAVTGFICBCWIG-DZIBYMRMSA-N 2 0 345.531 3.402 10 0 EGAERP CC(C)(C)CCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001725819118 1426494996 /nfs/dbraw/zinc/49/49/96/1426494996.db2.gz FGEXRSJMPSENMB-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001731428329 1427409553 /nfs/dbraw/zinc/40/95/53/1427409553.db2.gz PTVXARSUUDREHN-WCIQWLHISA-N 2 0 349.563 3.218 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC2(CCC2)C1 ZINC001731466418 1427444583 /nfs/dbraw/zinc/44/45/83/1427444583.db2.gz PHBDESLADAAHIO-YQQQUEKLSA-N 2 0 347.547 3.020 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001731550944 1427570205 /nfs/dbraw/zinc/57/02/05/1427570205.db2.gz YQIWXWDOKXUISP-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001731597172 1427639915 /nfs/dbraw/zinc/63/99/15/1427639915.db2.gz CESQBAMXKPEBSI-QFBILLFUSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001731696263 1427746329 /nfs/dbraw/zinc/74/63/29/1427746329.db2.gz AESXHZNGCYPTBS-RBUKOAKNSA-N 2 0 349.494 3.075 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@@H]([NH2+]Cc2ccsc2)C1 ZINC001731700920 1427752977 /nfs/dbraw/zinc/75/29/77/1427752977.db2.gz DVAJJSCPKOJNDI-MSOLQXFVSA-N 2 0 349.544 3.141 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001731734969 1427814028 /nfs/dbraw/zinc/81/40/28/1427814028.db2.gz AJQKKLVCMRORDC-ZWKOTPCHSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCNC(=O)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001731774502 1427888660 /nfs/dbraw/zinc/88/86/60/1427888660.db2.gz UYFCJJLSERICNK-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCC1=CCCCC1 ZINC001731808504 1427985659 /nfs/dbraw/zinc/98/56/59/1427985659.db2.gz IQDQFYJEHCAMLL-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734058681 1437850450 /nfs/dbraw/zinc/85/04/50/1437850450.db2.gz LHRXDDZPSKOGHM-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001733599160 1429798835 /nfs/dbraw/zinc/79/88/35/1429798835.db2.gz MXJBZDIZZRMMIY-ROUUACIJSA-N 2 0 335.536 3.116 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001733603961 1429812400 /nfs/dbraw/zinc/81/24/00/1429812400.db2.gz RYAFMGQPBFCUID-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCC3)C2)CC1 ZINC001733663672 1429856203 /nfs/dbraw/zinc/85/62/03/1429856203.db2.gz HINWXQRABRXNEO-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001733681569 1429891355 /nfs/dbraw/zinc/89/13/55/1429891355.db2.gz FOQRYUGJOCVUHI-XLIONFOSSA-N 2 0 345.531 3.484 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]Cc2ccsc2)CCC1)[NH+]1CCCCC1 ZINC001733716243 1429935112 /nfs/dbraw/zinc/93/51/12/1429935112.db2.gz HGKZZRZGYPFJTB-UHFFFAOYSA-N 2 0 349.544 3.141 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001733765335 1429985741 /nfs/dbraw/zinc/98/57/41/1429985741.db2.gz UBYJOXZDBPISDN-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)CCC[NH+](C)CCC(C)(C)C)C1 ZINC001733776237 1430021873 /nfs/dbraw/zinc/02/18/73/1430021873.db2.gz UMMKRQQTVGKIMN-GOSISDBHSA-N 2 0 339.568 3.325 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CC[NH+](C)C2)c1 ZINC001733780842 1430044140 /nfs/dbraw/zinc/04/41/40/1430044140.db2.gz SJLCNHNSONEUBQ-RBUKOAKNSA-N 2 0 345.531 3.096 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733803370 1430071491 /nfs/dbraw/zinc/07/14/91/1430071491.db2.gz UOCHMZNDAHKAEU-TYFAACHXSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC001733809693 1430085443 /nfs/dbraw/zinc/08/54/43/1430085443.db2.gz QKQLTZFLRLLAFC-JTHGQSKGSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CC[C@H](C)C3)cc2C1 ZINC001733835662 1430107574 /nfs/dbraw/zinc/10/75/74/1430107574.db2.gz HSNBORKBRGHNNU-KRWDZBQOSA-N 2 0 343.515 3.150 10 0 EGAERP CC(C)(C)CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733867040 1437694399 /nfs/dbraw/zinc/69/43/99/1437694399.db2.gz VWYQKUJHYJJMLZ-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001733874859 1437701559 /nfs/dbraw/zinc/70/15/59/1437701559.db2.gz GUEPLNJWMIPPAY-GOSISDBHSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001733899127 1437716558 /nfs/dbraw/zinc/71/65/58/1437716558.db2.gz KCQKYDQVGGKTCP-RTBURBONSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)C(C)C)c1ccccc1 ZINC001733937436 1437752494 /nfs/dbraw/zinc/75/24/94/1437752494.db2.gz IXKMXHVVUVSRNC-RBUKOAKNSA-N 2 0 331.504 3.011 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001734042715 1437830977 /nfs/dbraw/zinc/83/09/77/1437830977.db2.gz BQTPWWGRYZCJKP-DKFQHHCZSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccsc1 ZINC001734055623 1437846163 /nfs/dbraw/zinc/84/61/63/1437846163.db2.gz RPXPKYRAILRHRD-HNNXBMFYSA-N 2 0 345.512 3.060 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001734148761 1437916697 /nfs/dbraw/zinc/91/66/97/1437916697.db2.gz VFMPBNMJUONAEZ-ZWKOTPCHSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[NH2+][C@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)C(C)C ZINC001734288666 1438018539 /nfs/dbraw/zinc/01/85/39/1438018539.db2.gz ADQROKGAKLTYRR-QGZVFWFLSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734420710 1438089570 /nfs/dbraw/zinc/08/95/70/1438089570.db2.gz RYDUMXWISFLQLU-PWBPZBFBSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccccc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001734427612 1438092490 /nfs/dbraw/zinc/09/24/90/1438092490.db2.gz JATTWDRMXATDEU-UYAOXDASSA-N 2 0 343.515 3.032 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001734439840 1438102266 /nfs/dbraw/zinc/10/22/66/1438102266.db2.gz LIMOPABAKDNCKS-LNLFQRSKSA-N 2 0 349.544 3.010 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001734441419 1438103457 /nfs/dbraw/zinc/10/34/57/1438103457.db2.gz SUNOKMOOFXKZFN-CGBFIWBNSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)[C@H]1C ZINC001734460616 1438117757 /nfs/dbraw/zinc/11/77/57/1438117757.db2.gz QQSVEMYWSZYCDJ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001734477768 1438126086 /nfs/dbraw/zinc/12/60/86/1438126086.db2.gz CBEAMDIOCNURHE-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+](CC)CC ZINC001750945005 1440117783 /nfs/dbraw/zinc/11/77/83/1440117783.db2.gz QGYIONVBOYGGIZ-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(OC)c2)C1 ZINC000101593398 219143587 /nfs/dbraw/zinc/14/35/87/219143587.db2.gz ROQFFGGVABVYPH-CQSZACIVSA-N 2 0 346.393 3.068 10 0 EGAERP COc1ccc2cc(C[NH2+]CC3CC[NH+](C[C@@H](C)O)CC3)ccc2c1 ZINC000069699165 203038485 /nfs/dbraw/zinc/03/84/85/203038485.db2.gz IMOGGLZPOAFDQR-MRXNPFEDSA-N 2 0 342.483 3.031 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H](C)C1 ZINC000246525188 141014152 /nfs/dbraw/zinc/01/41/52/141014152.db2.gz UYQXTURJJIBELC-KSSFIOAISA-N 2 0 331.435 3.343 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000246920983 141044504 /nfs/dbraw/zinc/04/45/04/141044504.db2.gz GSWKFFZBYFURQP-GDBMZVCRSA-N 2 0 330.451 3.312 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353444506 141296827 /nfs/dbraw/zinc/29/68/27/141296827.db2.gz VQROWDFWSDOJOR-ACRUOGEOSA-N 2 0 345.506 3.253 10 0 EGAERP CC(C)CC[NH+]1CCC(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000354695423 141321316 /nfs/dbraw/zinc/32/13/16/141321316.db2.gz UZJDSXSHLJPANY-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)OC(=O)C[C@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000344640533 144203516 /nfs/dbraw/zinc/20/35/16/144203516.db2.gz IGYJFTBJJIOMCY-OAHLLOKOSA-N 2 0 347.484 3.488 10 0 EGAERP CO[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C(F)(F)F ZINC000345491806 144246374 /nfs/dbraw/zinc/24/63/74/144246374.db2.gz UGQRLIRFDQZKDC-USXIJHARSA-N 2 0 344.421 3.454 10 0 EGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000261756739 153720401 /nfs/dbraw/zinc/72/04/01/153720401.db2.gz VJGNJVCLQWRMQN-AHRSYUTCSA-N 2 0 343.515 3.065 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000310275183 154142007 /nfs/dbraw/zinc/14/20/07/154142007.db2.gz UQBLLUJBOGLQTB-SLFFLAALSA-N 2 0 328.500 3.303 10 0 EGAERP Cc1ccc(O)c(C[NH2+]C[C@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000311198908 154147461 /nfs/dbraw/zinc/14/74/61/154147461.db2.gz HGXYXKBGBGPUSC-LJQANCHMSA-N 2 0 339.483 3.488 10 0 EGAERP Cc1ccncc1C[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000354540637 156569579 /nfs/dbraw/zinc/56/95/79/156569579.db2.gz AFGYCRYTCSLMAQ-UHFFFAOYSA-N 2 0 339.483 3.197 10 0 EGAERP CC(C)CCn1cccc1C[N@H+](C)CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000179518401 162698523 /nfs/dbraw/zinc/69/85/23/162698523.db2.gz SVGWBAILDLJBRC-GOSISDBHSA-N 2 0 335.536 3.059 10 0 EGAERP CC1CC[NH+](C2CCC(NC(=O)CC[C@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC000355136366 166115768 /nfs/dbraw/zinc/11/57/68/166115768.db2.gz CPKICXJIKPIZTG-IOJLRTSASA-N 2 0 349.563 3.410 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](C[C@@H](C)Cc2ccccc2)CC1 ZINC000355649614 166272399 /nfs/dbraw/zinc/27/23/99/166272399.db2.gz LRGUZRICEWGRFS-KRWDZBQOSA-N 2 0 325.456 3.091 10 0 EGAERP CCOc1nnc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)s1 ZINC000359525921 167179281 /nfs/dbraw/zinc/17/92/81/167179281.db2.gz AJFRJQHDNCZUSY-LBPRGKRZSA-N 2 0 343.456 3.282 10 0 EGAERP CC[NH+](CC)CCN(CCOC)c1cc[nH+]c2cc(F)c(OC)cc21 ZINC000359547064 167187618 /nfs/dbraw/zinc/18/76/18/167187618.db2.gz NLAWMCZYPKXKDH-UHFFFAOYSA-N 2 0 349.450 3.177 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@H]2CCC[C@H]21 ZINC000367625821 168252213 /nfs/dbraw/zinc/25/22/13/168252213.db2.gz ZCIVUEZYQUIPDA-QHAWAJNXSA-N 3 0 327.516 3.245 10 0 EGAERP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)C2CC2)cc1 ZINC000271768920 266721350 /nfs/dbraw/zinc/72/13/50/266721350.db2.gz UHXSWMYMIWWZMB-QRWLVFNGSA-N 2 0 332.463 3.367 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCCCC2)[C@@H](C)C1 ZINC000344549999 276217051 /nfs/dbraw/zinc/21/70/51/276217051.db2.gz QTBADUCVWTZBEV-GHTZIAJQSA-N 3 0 329.532 3.492 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371019625 276338040 /nfs/dbraw/zinc/33/80/40/276338040.db2.gz SUZMGLNLFLXBCO-AABGKKOBSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@]1(C[NH+]2CCC([C@@H]3C(=O)Nc4cc(Cl)ccc43)CC2)CC[NH2+]C1 ZINC000261733193 278122053 /nfs/dbraw/zinc/12/20/53/278122053.db2.gz HNKLIRHYVJYKPJ-PKOBYXMFSA-N 2 0 347.890 3.087 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000247497226 279152760 /nfs/dbraw/zinc/15/27/60/279152760.db2.gz USOAHBSVUHRXGZ-WDSOQIARSA-N 2 0 331.504 3.011 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000367975431 279165316 /nfs/dbraw/zinc/16/53/16/279165316.db2.gz YHIPTDFNLJLNMK-GVDBMIGSSA-N 2 0 339.524 3.142 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517681 289879142 /nfs/dbraw/zinc/87/91/42/289879142.db2.gz DFESLMWSHSBTOJ-RTBURBONSA-N 2 0 339.543 3.445 10 0 EGAERP Cc1cc(C[NH2+]C2CCN(CC[NH+](C)C)CC2)ccc1C(F)(F)F ZINC000414278616 309070290 /nfs/dbraw/zinc/07/02/90/309070290.db2.gz XIKOGNMZLGLEEU-UHFFFAOYSA-N 2 0 343.437 3.129 10 0 EGAERP CCCC[N@H+](C[C@@H]1CCCN(C(=O)C[NH3+])C1)[C@H](CC)c1ccccc1 ZINC000414691035 309095636 /nfs/dbraw/zinc/09/56/36/309095636.db2.gz IKGIBVOAAMVPIF-AZUAARDMSA-N 2 0 345.531 3.437 10 0 EGAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c(C)c1 ZINC000297450725 308535093 /nfs/dbraw/zinc/53/50/93/308535093.db2.gz HCRDAQQETAZYCT-INIZCTEOSA-N 2 0 336.439 3.458 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+]C2CCN(CCC(F)(F)F)CC2)cc1 ZINC000414817275 309103444 /nfs/dbraw/zinc/10/34/44/309103444.db2.gz RWCIOPJSKOZHTQ-ZDUSSCGKSA-N 2 0 329.410 3.213 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]CCC[C@H]1CCC[NH2+]1 ZINC000414970120 309112229 /nfs/dbraw/zinc/11/22/29/309112229.db2.gz JZMBGCLTYKFDGH-AWEZNQCLSA-N 2 0 327.266 3.080 10 0 EGAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000415024789 309114900 /nfs/dbraw/zinc/11/49/00/309114900.db2.gz OFQAXPXLRXCSMW-HDJSIYSDSA-N 2 0 330.394 3.482 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CCC[NH3+])c1ccccc1 ZINC000415046528 309116306 /nfs/dbraw/zinc/11/63/06/309116306.db2.gz CRNIZDLLJULGCM-FQEVSTJZSA-N 3 0 335.455 3.146 10 0 EGAERP Fc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415051251 309116667 /nfs/dbraw/zinc/11/66/67/309116667.db2.gz JHFZHVUQUQBFGK-NSKBAKJYSA-N 2 0 345.506 3.268 10 0 EGAERP Cc1cc(F)c(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000415055398 309116956 /nfs/dbraw/zinc/11/69/56/309116956.db2.gz OSOLMSSZUVCSES-UHFFFAOYSA-N 2 0 339.886 3.094 10 0 EGAERP C[C@H](CCc1ccccc1)C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415057225 309117303 /nfs/dbraw/zinc/11/73/03/309117303.db2.gz RLPQATDSRQZXBC-KMFTYDHNSA-N 2 0 329.532 3.061 10 0 EGAERP CC[C@H](C(=O)N1CCC([NH2+]C[C@H]([NH3+])CC(C)C)CC1)c1ccccc1 ZINC000415106720 309120741 /nfs/dbraw/zinc/12/07/41/309120741.db2.gz NEQCPFBXNHQQKS-QUCCMNQESA-N 2 0 345.531 3.134 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000415114882 309121260 /nfs/dbraw/zinc/12/12/60/309121260.db2.gz GJUSXBVRUSOKKI-DLBZAZTESA-N 2 0 326.488 3.473 10 0 EGAERP CCN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000415114649 309121341 /nfs/dbraw/zinc/12/13/41/309121341.db2.gz TUVVAJXZQGHBLP-CVYQIYGSSA-N 2 0 341.421 3.099 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@H+](C)Cc1ccccc1 ZINC000415908576 309147693 /nfs/dbraw/zinc/14/76/93/309147693.db2.gz DHQPEAOZYKZMQL-INIZCTEOSA-N 2 0 340.471 3.048 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000415938172 309150114 /nfs/dbraw/zinc/15/01/14/309150114.db2.gz AJJDSIDQDFPIKJ-MSOLQXFVSA-N 2 0 344.503 3.275 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000417027140 309190303 /nfs/dbraw/zinc/19/03/03/309190303.db2.gz APECEOBOECRDLE-IAGOWNOFSA-N 2 0 346.519 3.160 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@@H](C)C2)cc1 ZINC000417209894 309197554 /nfs/dbraw/zinc/19/75/54/309197554.db2.gz CVUWWCWUNYLXTA-JXXFODFXSA-N 2 0 346.519 3.016 10 0 EGAERP CCn1nncc1C[NH2+]Cc1ccc(C[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000417881697 309226641 /nfs/dbraw/zinc/22/66/41/309226641.db2.gz VBVUYUMFFCNGKO-IRXDYDNUSA-N 2 0 341.503 3.066 10 0 EGAERP CN(C)c1ncc(C[NH2+]C2(C(C)(C)c3ccc(F)cc3)CC2)n1C ZINC000419709118 309271235 /nfs/dbraw/zinc/27/12/35/309271235.db2.gz JDFCMEVAMJBCAO-UHFFFAOYSA-N 2 0 330.451 3.225 10 0 EGAERP FC(F)(F)c1cccc([C@@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420308113 309280976 /nfs/dbraw/zinc/28/09/76/309280976.db2.gz SAOUXZDXYKPMND-BBRMVZONSA-N 2 0 328.378 3.078 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)n2)cc1 ZINC000420386365 309285708 /nfs/dbraw/zinc/28/57/08/309285708.db2.gz FRLUKADNVMFXLO-ZWKOTPCHSA-N 2 0 340.471 3.133 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccccc2C[NH2+]C2CC3(C2)CCCCC3)C1 ZINC000421345294 309319443 /nfs/dbraw/zinc/31/94/43/309319443.db2.gz RHVKGFHZXMLWNP-FQEVSTJZSA-N 2 0 328.500 3.456 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C[C@@H]1CC12CCSCC2 ZINC000421866636 309344185 /nfs/dbraw/zinc/34/41/85/309344185.db2.gz BHBFVYHHRDRXDM-AOIWGVFYSA-N 2 0 345.556 3.415 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CC23CCSCC3)[C@H](C)C1 ZINC000421878487 309344706 /nfs/dbraw/zinc/34/47/06/309344706.db2.gz LZJCODLKICTADY-KURKYZTESA-N 2 0 340.577 3.246 10 0 EGAERP COc1ccc(CCC[NH2+][C@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422699854 309363586 /nfs/dbraw/zinc/36/35/86/309363586.db2.gz BKJRIMJGWJCWFW-ROUUACIJSA-N 2 0 326.440 3.371 10 0 EGAERP C[N@H+](CCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422708805 309363984 /nfs/dbraw/zinc/36/39/84/309363984.db2.gz YGUPBEBLNAYNBW-CTNGQTDRSA-N 2 0 343.515 3.096 10 0 EGAERP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836701 309371067 /nfs/dbraw/zinc/37/10/67/309371067.db2.gz RSYZAJLANUIASG-PWRODBHTSA-N 2 0 338.499 3.332 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422867454 309372749 /nfs/dbraw/zinc/37/27/49/309372749.db2.gz SHNGBTDFCAPSCR-QOKNQOGYSA-N 2 0 345.437 3.092 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422871267 309373118 /nfs/dbraw/zinc/37/31/18/309373118.db2.gz YNGOXMBOUKHEIU-DZGCQCFKSA-N 2 0 346.425 3.056 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422888888 309374433 /nfs/dbraw/zinc/37/44/33/309374433.db2.gz DWJYEFWUTGLQEL-LVCYWYKZSA-N 3 0 347.547 3.008 10 0 EGAERP COc1ccc(CC[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c(Cl)c1 ZINC000422889197 309374492 /nfs/dbraw/zinc/37/44/92/309374492.db2.gz OYCRYQGPNPUKKW-GFCCVEGCSA-N 2 0 333.863 3.404 10 0 EGAERP C[C@@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@H]1CCCC[NH2+]1 ZINC000422956022 309378002 /nfs/dbraw/zinc/37/80/02/309378002.db2.gz OEWCBSGSAAVYGR-AXVVYFOYSA-N 2 0 331.504 3.238 10 0 EGAERP CCCC(O)(CCC)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422974384 309379232 /nfs/dbraw/zinc/37/92/32/309379232.db2.gz DWJQSTOJEGSMPV-PXNSSMCTSA-N 2 0 332.488 3.163 10 0 EGAERP COc1cc(C)cc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000423000007 309380096 /nfs/dbraw/zinc/38/00/96/309380096.db2.gz GLWRFRVMUAKNDD-PZJWPPBQSA-N 2 0 338.451 3.349 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000423009808 309380743 /nfs/dbraw/zinc/38/07/43/309380743.db2.gz DZFMFJSEJRSXIA-NRSPTQNISA-N 2 0 335.451 3.378 10 0 EGAERP COc1ccc([C@H](NCC[C@H](C)[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423036328 309382182 /nfs/dbraw/zinc/38/21/82/309382182.db2.gz TYHQPGNWUUSJFH-YYWHXJBOSA-N 2 0 345.531 3.342 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069311 309384272 /nfs/dbraw/zinc/38/42/72/309384272.db2.gz DQQULAQYQQQHRU-HYVNUMGLSA-N 2 0 340.458 3.016 10 0 EGAERP COc1ccc([C@H](NCC(C)(C)C[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423080876 309384906 /nfs/dbraw/zinc/38/49/06/309384906.db2.gz TUPGYIQAEKMZKH-UXHICEINSA-N 2 0 345.531 3.200 10 0 EGAERP COCC(C)(C)CCC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121036 309386889 /nfs/dbraw/zinc/38/68/89/309386889.db2.gz HUFFIXKLIKYAQL-XLIONFOSSA-N 2 0 332.488 3.285 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2NCC[NH2+]C1CCCCCC1 ZINC000423281246 309393748 /nfs/dbraw/zinc/39/37/48/309393748.db2.gz BAPJCBGPTVKNPV-PZJWPPBQSA-N 2 0 343.515 3.144 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423291961 309394055 /nfs/dbraw/zinc/39/40/55/309394055.db2.gz KTRAWEQPJOJROJ-IAGOWNOFSA-N 2 0 339.483 3.394 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000425349724 309474967 /nfs/dbraw/zinc/47/49/67/309474967.db2.gz LCZWJNXWPDOGTE-RBUKOAKNSA-N 2 0 333.545 3.072 10 0 EGAERP CS[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000425355849 309475726 /nfs/dbraw/zinc/47/57/26/309475726.db2.gz LRXQWKKFTGAAGX-UXHICEINSA-N 2 0 347.572 3.381 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)C[C@H]3C)cn2)CC1 ZINC000434764850 309719737 /nfs/dbraw/zinc/71/97/37/309719737.db2.gz PHGZSNPMNMYBPP-SJLPKXTDSA-N 2 0 330.520 3.138 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000447719991 309986626 /nfs/dbraw/zinc/98/66/26/309986626.db2.gz AJZSILBCMHAXQX-YJBOKZPZSA-N 2 0 345.487 3.275 10 0 EGAERP CC[NH+]1CCC(NC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000449064966 310034053 /nfs/dbraw/zinc/03/40/53/310034053.db2.gz RHAXFFLUESLINL-GOSISDBHSA-N 2 0 329.532 3.156 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CCC[C@@H](C)C2)CC1 ZINC000449084874 310035919 /nfs/dbraw/zinc/03/59/19/310035919.db2.gz ZKDAETUJLGYCSG-UXHICEINSA-N 2 0 343.559 3.404 10 0 EGAERP CC[N@H+](CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449114377 310038191 /nfs/dbraw/zinc/03/81/91/310038191.db2.gz ZJYQTAHSDCCVRS-GOSISDBHSA-N 2 0 329.532 3.156 10 0 EGAERP CC[C@H](C)[N@H+](C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449119437 310038529 /nfs/dbraw/zinc/03/85/29/310038529.db2.gz ZDUPNORMDYPTOG-RBUKOAKNSA-N 2 0 331.548 3.402 10 0 EGAERP CC[NH+](CC)C[C@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449132315 310039279 /nfs/dbraw/zinc/03/92/79/310039279.db2.gz UDCHEQRPIOLXRT-OALUTQOASA-N 2 0 331.548 3.402 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCNC(=O)C(C)(C)C)CC1 ZINC000449135834 310039487 /nfs/dbraw/zinc/03/94/87/310039487.db2.gz RQMPESNRIREPHT-UHFFFAOYSA-N 2 0 339.568 3.418 10 0 EGAERP COC[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000449294218 310050826 /nfs/dbraw/zinc/05/08/26/310050826.db2.gz YHUKDQKIKJMHMZ-MSOLQXFVSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCOC[C@H]2C)CC1 ZINC000449319790 310053090 /nfs/dbraw/zinc/05/30/90/310053090.db2.gz HGYYKRXKONQWEB-QWFCFKBJSA-N 2 0 330.516 3.344 10 0 EGAERP Cc1nccnc1CC[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449343184 310054922 /nfs/dbraw/zinc/05/49/22/310054922.db2.gz ILJAQALOEJEALK-KRWDZBQOSA-N 2 0 338.499 3.013 10 0 EGAERP COC[C@@](C)(O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449383369 310057799 /nfs/dbraw/zinc/05/77/99/310057799.db2.gz GUBRVGICJDVWBM-IBGZPJMESA-N 2 0 328.541 3.043 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449512730 310068371 /nfs/dbraw/zinc/06/83/71/310068371.db2.gz QBHZESOBCSBYOI-NBYUQASBSA-N 2 0 344.499 3.218 10 0 EGAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@@H]([NH+]2CCCC2)C1 ZINC000449853652 310090753 /nfs/dbraw/zinc/09/07/53/310090753.db2.gz WGAUWUQZIHNCGC-UXHICEINSA-N 2 0 347.547 3.260 10 0 EGAERP c1nc([C@H]2CCCN(Cc3nnc(C4CC4)s3)C2)n2c1CCCC2 ZINC000450927731 310150162 /nfs/dbraw/zinc/15/01/62/310150162.db2.gz QHHBIRFEUCCZDP-AWEZNQCLSA-N 2 0 343.500 3.328 10 0 EGAERP COC1([C@@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453133914 310260200 /nfs/dbraw/zinc/26/02/00/310260200.db2.gz NITGTXQTQFBZPF-QZTJIDSGSA-N 2 0 334.504 3.071 10 0 EGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC(NCc2ccc3c[nH+]cn3c2)CC1 ZINC000459660449 310567000 /nfs/dbraw/zinc/56/70/00/310567000.db2.gz OIYREZRTZBHBOW-UZLBHIALSA-N 2 0 326.488 3.467 10 0 EGAERP Cc1ccccc1-n1nccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000474150382 310786708 /nfs/dbraw/zinc/78/67/08/310786708.db2.gz NIAHCNGKMKANKA-UHFFFAOYSA-N 2 0 338.499 3.489 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000474735508 310798547 /nfs/dbraw/zinc/79/85/47/310798547.db2.gz XZIWUBUSGGZLOX-FPOVZHCZSA-N 2 0 331.548 3.289 10 0 EGAERP COc1ccc([C@@H](C)C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000475621404 310814671 /nfs/dbraw/zinc/81/46/71/310814671.db2.gz PINVHXUVQOVPNR-INIZCTEOSA-N 2 0 341.455 3.025 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1cnnn1Cc1ccccc1 ZINC000490607031 311146523 /nfs/dbraw/zinc/14/65/23/311146523.db2.gz YPZBOCBBPHBMGV-SFHVURJKSA-N 2 0 341.503 3.071 10 0 EGAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165456 312268877 /nfs/dbraw/zinc/26/88/77/312268877.db2.gz HVSSCDAFPWUKRX-AQNXPRMDSA-N 2 0 339.483 3.254 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@@H](c2ccccc2)O1 ZINC000516449678 312323899 /nfs/dbraw/zinc/32/38/99/312323899.db2.gz HPVONWVZQJACNY-QMIHWGKISA-N 2 0 325.456 3.420 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C1CC(F)(F)C1 ZINC000529537020 313348569 /nfs/dbraw/zinc/34/85/69/313348569.db2.gz RXFYTLSFHVBBHN-CQSZACIVSA-N 2 0 338.442 3.167 10 0 EGAERP C[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000535065274 314022944 /nfs/dbraw/zinc/02/29/44/314022944.db2.gz FSZJQRLJILSFOB-AWEZNQCLSA-N 2 0 327.875 3.157 10 0 EGAERP C[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(Cl)c(F)c1 ZINC000535777547 314073121 /nfs/dbraw/zinc/07/31/21/314073121.db2.gz JOKWKYXSPVIIPY-HIFRSBDPSA-N 2 0 328.859 3.367 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@@H]2OC)CC1 ZINC000538125532 314228259 /nfs/dbraw/zinc/22/82/59/314228259.db2.gz XFEUEOLKNLMYHT-CTNGQTDRSA-N 2 0 345.531 3.123 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCC[C@H]2OC)CC1 ZINC000538125543 314228275 /nfs/dbraw/zinc/22/82/75/314228275.db2.gz XFEUEOLKNLMYHT-PZJWPPBQSA-N 2 0 345.531 3.123 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)CCOC)CC1 ZINC000545351441 314758955 /nfs/dbraw/zinc/75/89/55/314758955.db2.gz FQHFQSSTZREHJF-UHFFFAOYSA-N 2 0 347.547 3.371 10 0 EGAERP C[C@@H](CCC(C)(C)C)[NH2+]CCCC[NH+]1CCN(c2ncccn2)CC1 ZINC000560244128 315668626 /nfs/dbraw/zinc/66/86/26/315668626.db2.gz JOMMZTOHRPRIIJ-SFHVURJKSA-N 2 0 347.551 3.183 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCC[C@@H]1c1c(C)n[nH]c1C ZINC000563482363 316027574 /nfs/dbraw/zinc/02/75/74/316027574.db2.gz KDNRHFVPCBUOMM-GOSISDBHSA-N 2 0 336.443 3.253 10 0 EGAERP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CCOCC[NH+](C)C ZINC000563765864 316065403 /nfs/dbraw/zinc/06/54/03/316065403.db2.gz JEMSYAOLSUSMIR-KAMYIIQDSA-N 2 0 330.394 3.277 10 0 EGAERP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000564959587 316236964 /nfs/dbraw/zinc/23/69/64/316236964.db2.gz CWGFRVZHJSEMAP-SCTDSRPQSA-N 2 0 343.515 3.076 10 0 EGAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000565362506 316314817 /nfs/dbraw/zinc/31/48/17/316314817.db2.gz FSFVUIHVFZTUDV-YLJYHZDGSA-N 2 0 338.499 3.138 10 0 EGAERP [NH3+][C@H]1CCC[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C1 ZINC000570941775 317130993 /nfs/dbraw/zinc/13/09/93/317130993.db2.gz KXLIHGOVCYNEAW-PMACEKPBSA-N 2 0 336.483 3.004 10 0 EGAERP C[C@H]([NH2+][C@H](CO)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000349429012 324025515 /nfs/dbraw/zinc/02/55/15/324025515.db2.gz POQQVJZTPLKFJO-KBXCAEBGSA-N 2 0 334.485 3.073 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000379767029 324241478 /nfs/dbraw/zinc/24/14/78/324241478.db2.gz JERMVCMLJNOZKS-SRHPJPHMSA-N 2 0 328.500 3.444 10 0 EGAERP [NH3+]C[C@H]1CC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000575894971 324504598 /nfs/dbraw/zinc/50/45/98/324504598.db2.gz UPDIRLZPKGGXPT-RDJZCZTQSA-N 2 0 339.487 3.277 10 0 EGAERP C[NH+](C)C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)c1ccc(F)cc1 ZINC000578910088 325035821 /nfs/dbraw/zinc/03/58/21/325035821.db2.gz OPRYLWSMQJWMHW-GOSISDBHSA-N 2 0 349.494 3.057 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000578960041 325041565 /nfs/dbraw/zinc/04/15/65/325041565.db2.gz YXRFCAYVDOTZJZ-FQEVSTJZSA-N 2 0 330.447 3.277 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(c3ccccc3F)C2)[C@@H]2CCC[C@@H]21 ZINC000580956738 325314336 /nfs/dbraw/zinc/31/43/36/325314336.db2.gz CCYPOBQPRXKGDN-NEPXVJNWSA-N 2 0 331.479 3.257 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H](C)CCc2cccc(F)c2)CC1 ZINC000183278651 455268537 /nfs/dbraw/zinc/26/85/37/455268537.db2.gz IXMMSUIXZQPJOP-IAGOWNOFSA-N 2 0 336.495 3.171 10 0 EGAERP [NH3+][C@@H]1CCCCCN(Cc2cccc(C(=O)N3CCCCC3)c2)C1 ZINC000631833706 460576605 /nfs/dbraw/zinc/57/66/05/460576605.db2.gz GRAGHHIGEQBBIA-LJQANCHMSA-N 2 0 329.488 3.016 10 0 EGAERP c1ccc(COc2ccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cc2)nc1 ZINC000631890782 460589208 /nfs/dbraw/zinc/58/92/08/460589208.db2.gz VGRZEYMGVKMCJZ-GHTZIAJQSA-N 2 0 337.467 3.235 10 0 EGAERP CSc1ccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+](C)C)cc1 ZINC000623534564 460600453 /nfs/dbraw/zinc/60/04/53/460600453.db2.gz UOIVRILXCZVGAL-FUHWJXTLSA-N 2 0 335.561 3.474 10 0 EGAERP O[C@@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245717341 455363063 /nfs/dbraw/zinc/36/30/63/455363063.db2.gz OFEVWWDJVWDOJD-YMQHIKHWSA-N 2 0 328.500 3.323 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)CC1(C)C ZINC000623575131 460621935 /nfs/dbraw/zinc/62/19/35/460621935.db2.gz LWLQTEQFFRWHFM-VQTJNVASSA-N 2 0 346.515 3.345 10 0 EGAERP Cc1ccc(-c2nnc(C[NH+]3CCC(CC[NH+](C)C)CC3)o2)cc1 ZINC000056523433 454064491 /nfs/dbraw/zinc/06/44/91/454064491.db2.gz BANGMSQJTNYGCO-UHFFFAOYSA-N 2 0 328.460 3.209 10 0 EGAERP C[NH+](C)CCC1CC[NH+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000056523832 454064749 /nfs/dbraw/zinc/06/47/49/454064749.db2.gz PQHKBCILWGXGOE-UHFFFAOYSA-N 2 0 348.516 3.394 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)C[C@H](C)O)CC1 ZINC000088734750 454117490 /nfs/dbraw/zinc/11/74/90/454117490.db2.gz DHRZNGIMLUDYPF-SFHVURJKSA-N 2 0 347.547 3.105 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc2c(c1)OCO2 ZINC000120974727 454372984 /nfs/dbraw/zinc/37/29/84/454372984.db2.gz DFXXYGVUXGQURL-ZDUSSCGKSA-N 2 0 330.403 3.467 10 0 EGAERP C[C@@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000132982545 454382636 /nfs/dbraw/zinc/38/26/36/454382636.db2.gz BEYODAMWDUZQLX-HUUCEWRRSA-N 2 0 334.529 3.388 10 0 EGAERP COC(=O)c1oc([C@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1C ZINC000121114610 454392619 /nfs/dbraw/zinc/39/26/19/454392619.db2.gz NDEUJFIHISXSNE-LSDHHAIUSA-N 2 0 343.427 3.265 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)C[C@@H](C)O1 ZINC000097038060 454393467 /nfs/dbraw/zinc/39/34/67/454393467.db2.gz IJZVBBKVHFPZOA-DEPWHIHDSA-N 2 0 343.515 3.335 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1cccc2c1C[NH+](CC(C)C)C2 ZINC000092406284 454562260 /nfs/dbraw/zinc/56/22/60/454562260.db2.gz FIPOYGREGHVLNO-LJQANCHMSA-N 2 0 329.488 3.471 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]CCC1CC[NH+](C)CC1)CC3 ZINC000123214230 454616574 /nfs/dbraw/zinc/61/65/74/454616574.db2.gz DJQMYJNWOIQBGA-INIZCTEOSA-N 2 0 341.499 3.355 10 0 EGAERP COc1ccccc1[C@@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124675595 454759079 /nfs/dbraw/zinc/75/90/79/454759079.db2.gz YRYXGCMACBLDBD-GOSISDBHSA-N 2 0 345.531 3.296 10 0 EGAERP CCOc1ccc(NC(=O)CC[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)cc1 ZINC000137644433 454784298 /nfs/dbraw/zinc/78/42/98/454784298.db2.gz XZNLFZIISKWGNB-APWZRJJASA-N 2 0 347.503 3.076 10 0 EGAERP CCCc1cc(N2CC[C@@H](N3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000125576179 454833125 /nfs/dbraw/zinc/83/31/25/454833125.db2.gz IQJRQWVJXBHJSI-QGZVFWFLSA-N 2 0 325.456 3.098 10 0 EGAERP O[C@@H]1CCC[C@@H](C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000180149003 455139704 /nfs/dbraw/zinc/13/97/04/455139704.db2.gz KVOBSRGMDJXRRA-JPGZLTHCSA-N 2 0 328.500 3.323 10 0 EGAERP Cc1cc(C[C@@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000180159065 455142424 /nfs/dbraw/zinc/14/24/24/455142424.db2.gz BNWVZZDBFDLJCE-GFQSRZNMSA-N 2 0 338.499 3.434 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)c1c[nH+]ccc1N(C)C)c1ccsc1 ZINC000183512724 455301372 /nfs/dbraw/zinc/30/13/72/455301372.db2.gz YVCJXKHUYYNLMC-QGZVFWFLSA-N 2 0 346.500 3.022 10 0 EGAERP C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000245718828 455364093 /nfs/dbraw/zinc/36/40/93/455364093.db2.gz OLNOIBMFDIAPQZ-KANFNMMFSA-N 2 0 343.515 3.075 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)[C@@H](C)C1 ZINC000245766091 455377101 /nfs/dbraw/zinc/37/71/01/455377101.db2.gz QSMKNAKSCCZKHK-KBXCAEBGSA-N 2 0 330.451 3.378 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)CCCc2ccccc2Cl)CC1 ZINC000181831339 455386925 /nfs/dbraw/zinc/38/69/25/455386925.db2.gz XUWITSUXTSPUIP-MRXNPFEDSA-N 2 0 338.923 3.297 10 0 EGAERP CC(=O)c1ccccc1OCCN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487501 455499241 /nfs/dbraw/zinc/49/92/41/455499241.db2.gz GYGAJZCNFMZBCV-PXNSSMCTSA-N 2 0 342.483 3.217 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCc3c2cccc3Cl)CC1 ZINC000246815110 455527404 /nfs/dbraw/zinc/52/74/04/455527404.db2.gz UBYHMXLLTJLVII-KUHUBIRLSA-N 2 0 336.907 3.352 10 0 EGAERP C[C@@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000182569823 455543617 /nfs/dbraw/zinc/54/36/17/455543617.db2.gz DPVUUWWHRFYCKC-YBVXAUJNSA-N 2 0 327.516 3.033 10 0 EGAERP Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@H]3CCN(C)[C@@H](C)C3)cc2)n1 ZINC000247123053 455563319 /nfs/dbraw/zinc/56/33/19/455563319.db2.gz YYROTUDDMNFYAM-JXFKEZNVSA-N 2 0 326.488 3.404 10 0 EGAERP Cn1c2ccc(C[NH2+]CCCCC[NH+]3CCCCC3)cc2sc1=O ZINC000192539803 455639191 /nfs/dbraw/zinc/63/91/91/455639191.db2.gz FMLZBYWVEOGWTC-UHFFFAOYSA-N 2 0 347.528 3.346 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271686184 455721899 /nfs/dbraw/zinc/72/18/99/455721899.db2.gz JWPYBIOPKRJGKW-HOJAQTOUSA-N 2 0 344.499 3.172 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000252517886 455819532 /nfs/dbraw/zinc/81/95/32/455819532.db2.gz UFSQYAYYNFJFMZ-VZHSDHNVSA-N 2 0 327.516 3.427 10 0 EGAERP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252653007 455825422 /nfs/dbraw/zinc/82/54/22/455825422.db2.gz RIQKZJNYXQTDLC-OALUTQOASA-N 2 0 343.515 3.438 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000285788952 455916221 /nfs/dbraw/zinc/91/62/21/455916221.db2.gz UOPOOHCFTXVMGQ-MWXLCCTBSA-N 3 0 329.532 3.361 10 0 EGAERP CCN(C)[C@@H](C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)c1ccccc1 ZINC000261683107 455927918 /nfs/dbraw/zinc/92/79/18/455927918.db2.gz HRTDRZSGXSGVLQ-LJQANCHMSA-N 2 0 341.430 3.103 10 0 EGAERP CC[N@H+](CCOc1ccc(Br)cc1)C[C@@]1(C)CC[NH2+]C1 ZINC000261776728 455946231 /nfs/dbraw/zinc/94/62/31/455946231.db2.gz NKZHHCWGIQFROW-INIZCTEOSA-N 2 0 341.293 3.149 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000617008854 460706000 /nfs/dbraw/zinc/70/60/00/460706000.db2.gz NKRMKVLPISKQKA-LJQANCHMSA-N 2 0 343.515 3.275 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262629442 456048962 /nfs/dbraw/zinc/04/89/62/456048962.db2.gz DJOOPKSEUJHNQS-AITUJVMLSA-N 2 0 343.515 3.153 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+](CC)CC)cc1 ZINC000620622452 460709675 /nfs/dbraw/zinc/70/96/75/460709675.db2.gz REHGJQRRYXHCPI-UHFFFAOYSA-N 2 0 333.520 3.379 10 0 EGAERP COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000188795041 456139051 /nfs/dbraw/zinc/13/90/51/456139051.db2.gz XVUMSQLKNBNKGB-JKSUJKDBSA-N 2 0 343.471 3.442 10 0 EGAERP Cc1cc(N2CCC[N@@H+](C3CCOCC3)CC2)c2cc(F)ccc2[nH+]1 ZINC000301676043 456184018 /nfs/dbraw/zinc/18/40/18/456184018.db2.gz PZYRZDLXARGPKV-UHFFFAOYSA-N 2 0 343.446 3.373 10 0 EGAERP CCc1cc(N2CC[N@H+](C[C@H](C)O)[C@@H](CC)C2)c2ccccc2[nH+]1 ZINC000301775124 456210915 /nfs/dbraw/zinc/21/09/15/456210915.db2.gz GFADBIDPGWZVRQ-RDJZCZTQSA-N 2 0 327.472 3.079 10 0 EGAERP CCc1nnc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)s1 ZINC000290216712 456269206 /nfs/dbraw/zinc/26/92/06/456269206.db2.gz QMAXHIJBMLCFOJ-IXDOHACOSA-N 2 0 342.512 3.101 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccc3occc3c2)(N2CCCCC2)CC1 ZINC000352762343 456284212 /nfs/dbraw/zinc/28/42/12/456284212.db2.gz FLSLOQSWRBWNGW-UHFFFAOYSA-N 2 0 341.499 3.473 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH2+]CCCN2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000352823510 456339590 /nfs/dbraw/zinc/33/95/90/456339590.db2.gz NPSWDTIJGVPFDC-QUCCMNQESA-N 2 0 342.531 3.176 10 0 EGAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCC[C@@H]4C[C@@]43C)cc2)CC1 ZINC000337412093 456352175 /nfs/dbraw/zinc/35/21/75/456352175.db2.gz XIPLUNWIEQSWDX-NJYVYQBISA-N 2 0 327.516 3.102 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000340374428 456420916 /nfs/dbraw/zinc/42/09/16/456420916.db2.gz LJTVOJLHRAECPC-XUVXKRRUSA-N 2 0 343.515 3.059 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000340474447 456481453 /nfs/dbraw/zinc/48/14/53/456481453.db2.gz RVWXSJOQTHLLSQ-FXAWDEMLSA-N 2 0 341.503 3.221 10 0 EGAERP CCN1CCC[C@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032874 456578728 /nfs/dbraw/zinc/57/87/28/456578728.db2.gz YRDFYWNKJBCMFL-HOTGVXAUSA-N 2 0 327.513 3.144 10 0 EGAERP CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1c(F)cccc1F ZINC000353511352 456724674 /nfs/dbraw/zinc/72/46/74/456724674.db2.gz AZGUDTQFQZXPMC-HNONPPJISA-N 2 0 337.458 3.030 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000283463307 456785024 /nfs/dbraw/zinc/78/50/24/456785024.db2.gz VQNIEYQONOFYIV-ZIBCJSCZSA-N 2 0 329.532 3.040 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000353631275 456816113 /nfs/dbraw/zinc/81/61/13/456816113.db2.gz KSHKJYNFJWEKSJ-RCOXNQKVSA-N 2 0 342.531 3.069 10 0 EGAERP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(C)c1 ZINC000353648070 456827824 /nfs/dbraw/zinc/82/78/24/456827824.db2.gz OGHRQNMKGXTAGJ-MOPGFXCFSA-N 2 0 333.520 3.128 10 0 EGAERP Cn1cc2c(n1)CCC[C@@H]2[NH2+]C[C@]1(C)CCCN1Cc1ccccc1 ZINC000358986939 457044629 /nfs/dbraw/zinc/04/46/29/457044629.db2.gz ONYSQKIFSYMEFQ-FPOVZHCZSA-N 2 0 338.499 3.442 10 0 EGAERP CC[NH+]1CCC(C[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000378876077 457413757 /nfs/dbraw/zinc/41/37/57/457413757.db2.gz AHSFUOVNUPYCNH-UHFFFAOYSA-N 2 0 329.532 3.015 10 0 EGAERP Cc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c(C)c1 ZINC000397651157 457489690 /nfs/dbraw/zinc/48/96/90/457489690.db2.gz WVKVFABQXDEYQS-UHFFFAOYSA-N 2 0 338.495 3.420 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CCSCc2ccccc2)CC1 ZINC000361521004 457768550 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3.331 10 0 EGAERP CCN(C(=O)c1coc(C[NH3+])c1)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000372904902 458345221 /nfs/dbraw/zinc/34/52/21/458345221.db2.gz LGZXEKYNSJGAJR-QAPCUYQASA-N 2 0 341.455 3.036 10 0 EGAERP CC1CC[NH+](Cc2ccccc2CNCc2cn3cccnc3n2)CC1 ZINC000459464562 458379408 /nfs/dbraw/zinc/37/94/08/458379408.db2.gz MNWSAJHCJRMOHJ-UHFFFAOYSA-N 2 0 349.482 3.251 10 0 EGAERP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CCOCC1 ZINC000373143432 458409681 /nfs/dbraw/zinc/40/96/81/458409681.db2.gz WXDIXXHUHXKYRC-IEBWSBKVSA-N 2 0 348.556 3.399 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423429713 458431551 /nfs/dbraw/zinc/43/15/51/458431551.db2.gz KIUVJBNLTYGWLQ-TZMCWYRMSA-N 2 0 325.294 3.414 10 0 EGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc3c[nH+]cn3c2)CC1 ZINC000459660447 458439532 /nfs/dbraw/zinc/43/95/32/458439532.db2.gz OIYREZRTZBHBOW-OXJNMPFZSA-N 2 0 326.488 3.467 10 0 EGAERP Cc1ccc(C)c2c1CCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423504352 458444815 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C[C@H](CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[S@](C)=O ZINC000438845349 458620871 /nfs/dbraw/zinc/62/08/71/458620871.db2.gz YOVQSPVMWSAKHQ-VHBXDSILSA-N 2 0 336.545 3.176 10 0 EGAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000424427986 458640910 /nfs/dbraw/zinc/64/09/10/458640910.db2.gz RAVUDYFNDANJCC-MOPGFXCFSA-N 2 0 338.455 3.021 10 0 EGAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@H]2c2ccccc2)c1 ZINC000424427987 458641273 /nfs/dbraw/zinc/64/12/73/458641273.db2.gz RAVUDYFNDANJCC-OALUTQOASA-N 2 0 338.455 3.021 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH2+]C45CCC5)[C@H]3C2)cc1 ZINC000530215499 458720477 /nfs/dbraw/zinc/72/04/77/458720477.db2.gz GQZPCCFNESNERN-TUFLPTIASA-N 3 0 339.527 3.161 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000494925761 458766932 /nfs/dbraw/zinc/76/69/32/458766932.db2.gz YTMXSMIGDUPION-VQIMIIECSA-N 2 0 343.515 3.208 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1C[C@H](C)O[C@@H](C)C1 ZINC000576844878 458933342 /nfs/dbraw/zinc/93/33/42/458933342.db2.gz VPRNIOWBHRNBLE-GJZGRUSLSA-N 2 0 328.460 3.259 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)C2)c1 ZINC000556868556 459024035 /nfs/dbraw/zinc/02/40/35/459024035.db2.gz YYDTZGBYMHYSGQ-VRXWPRPYSA-N 2 0 343.515 3.126 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21)C1CC1 ZINC000556890674 459028772 /nfs/dbraw/zinc/02/87/72/459028772.db2.gz VCZZXIGKBOMGEK-GXRSIYKFSA-N 2 0 341.543 3.359 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000594493055 459059135 /nfs/dbraw/zinc/05/91/35/459059135.db2.gz FHPKRERKODCOEW-FQEVSTJZSA-N 2 0 342.483 3.457 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](C3CC3)CC1)CCC2 ZINC000594498940 459063790 /nfs/dbraw/zinc/06/37/90/459063790.db2.gz DHPWDJCJBUXRJM-FQEVSTJZSA-N 2 0 342.483 3.315 10 0 EGAERP C[N@@H+]1CC[C@H]2[C@H](CCCN2Cc2cnc(-c3ccccn3)s2)C1 ZINC000520597413 459076428 /nfs/dbraw/zinc/07/64/28/459076428.db2.gz LAAXPXAMXMTSBQ-PBHICJAKSA-N 2 0 328.485 3.121 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCCC[N@H+](C)C1CC1)CCC2 ZINC000594520920 459078652 /nfs/dbraw/zinc/07/86/52/459078652.db2.gz OCBPWZIOTNRLOY-LJQANCHMSA-N 2 0 330.472 3.315 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]C2CCC(O)(C(F)(F)F)CC2)ccc1F ZINC000532500747 459100942 /nfs/dbraw/zinc/10/09/42/459100942.db2.gz CQPANHLWBZNYBH-UHFFFAOYSA-N 2 0 348.384 3.213 10 0 EGAERP COC(=O)c1ccccc1-c1ccc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)o1 ZINC000594615102 459115430 /nfs/dbraw/zinc/11/54/30/459115430.db2.gz PDPUWIXIOBEODV-GASCZTMLSA-N 2 0 342.439 3.163 10 0 EGAERP CCC[C@H](C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412408 459155256 /nfs/dbraw/zinc/15/52/56/459155256.db2.gz YZMJIIREXJMILO-PZJWPPBQSA-N 2 0 329.532 3.315 10 0 EGAERP CC[N@H+](CCN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000567852140 459178276 /nfs/dbraw/zinc/17/82/76/459178276.db2.gz SKGLMZHSYHAFLE-IBGZPJMESA-N 2 0 327.516 3.258 10 0 EGAERP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000481210051 459238868 /nfs/dbraw/zinc/23/88/68/459238868.db2.gz ZIBUGLCZOCDBIR-OHWJTAOLSA-N 2 0 330.516 3.428 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H]2CCC[C@@H]21 ZINC000559899700 459282628 /nfs/dbraw/zinc/28/26/28/459282628.db2.gz PRDUTNALAFECGR-QEJZJMRPSA-N 2 0 328.378 3.390 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2ccccc2)[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000560521478 459364373 /nfs/dbraw/zinc/36/43/73/459364373.db2.gz RZVZJUCKEZOWTN-UWHLTILDSA-N 2 0 327.516 3.286 10 0 EGAERP C[C@H]([NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1)C1CCCCCC1 ZINC000543407613 459654615 /nfs/dbraw/zinc/65/46/15/459654615.db2.gz VZLJCITUBURVBU-KRWDZBQOSA-N 2 0 330.520 3.282 10 0 EGAERP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000562989922 459686890 /nfs/dbraw/zinc/68/68/90/459686890.db2.gz BTOBKTAQCGEJKB-FQEVSTJZSA-N 2 0 334.479 3.116 10 0 EGAERP Cc1ccc([C@H](Cn2ccnc2)[NH2+]C[C@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995869 459689537 /nfs/dbraw/zinc/68/95/37/459689537.db2.gz GWLIHAFOVKRNLY-HOTGVXAUSA-N 2 0 341.377 3.144 10 0 EGAERP CC(C)[C@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1ccc(F)c(F)c1 ZINC000543774416 459698304 /nfs/dbraw/zinc/69/83/04/459698304.db2.gz MWNPBUXNLFQCQY-IBGZPJMESA-N 2 0 339.474 3.279 10 0 EGAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000584350938 459717331 /nfs/dbraw/zinc/71/73/31/459717331.db2.gz JFGYGRVPOGSWIF-CABCVRRESA-N 2 0 327.476 3.276 10 0 EGAERP COC(=O)c1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1Cl ZINC000597064890 459829511 /nfs/dbraw/zinc/82/95/11/459829511.db2.gz SPDRKQWWAPSEGA-UHFFFAOYSA-N 2 0 338.879 3.337 10 0 EGAERP c1ccc(CSCC[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000597178408 459863727 /nfs/dbraw/zinc/86/37/27/459863727.db2.gz SQUFRUBSDBUAIU-UHFFFAOYSA-N 2 0 348.556 3.400 10 0 EGAERP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](c2ccsc2)O1 ZINC000574881664 459887140 /nfs/dbraw/zinc/88/71/40/459887140.db2.gz GZNNAALPWHCPLS-IFXJQAMLSA-N 2 0 328.481 3.356 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)Nc2cnn(-c3cc[nH+]cc3)c2)cc1 ZINC000589079965 460027107 /nfs/dbraw/zinc/02/71/07/460027107.db2.gz WNNHBMVTKOBNIT-UHFFFAOYSA-N 2 0 349.438 3.361 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599069212 460151308 /nfs/dbraw/zinc/15/13/08/460151308.db2.gz DCJLWHMTIIHNQO-DNVCBOLYSA-N 2 0 330.472 3.172 10 0 EGAERP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@@H]1CCCN(C)C1 ZINC000623870715 460753910 /nfs/dbraw/zinc/75/39/10/460753910.db2.gz KIMGALHNMWVMAQ-ZYHUDNBSSA-N 2 0 335.801 3.369 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629529194 460797983 /nfs/dbraw/zinc/79/79/83/460797983.db2.gz UYEGJZFURBKLNW-OAHLLOKOSA-N 2 0 331.485 3.013 10 0 EGAERP Cc1nc(Cc2ccccc2)sc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535734 460798620 /nfs/dbraw/zinc/79/86/20/460798620.db2.gz FDVOHZQINIUCMU-CQSZACIVSA-N 2 0 333.501 3.058 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000629534560 460799215 /nfs/dbraw/zinc/79/92/15/460799215.db2.gz AOUROROXXPJQPZ-OAHLLOKOSA-N 2 0 349.475 3.282 10 0 EGAERP CC(C)Cn1ccnc1CNc1nccc(N2Cc3ccccc3C2)n1 ZINC000623992946 460814928 /nfs/dbraw/zinc/81/49/28/460814928.db2.gz DTLATSJJKSUTSX-UHFFFAOYSA-N 2 0 348.454 3.461 10 0 EGAERP C[C@@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000624078764 460849498 /nfs/dbraw/zinc/84/94/98/460849498.db2.gz TXFMSATYACHNLY-SRCQZFHVSA-N 2 0 342.405 3.241 10 0 EGAERP CC(C)CC[C@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000624111232 460865242 /nfs/dbraw/zinc/86/52/42/460865242.db2.gz QDOQKGZCHZSPEH-WIYYLYMNSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@]1(C[NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CCCS1 ZINC000628198638 461046284 /nfs/dbraw/zinc/04/62/84/461046284.db2.gz FXAIBVCHKWAUOF-LJQANCHMSA-N 2 0 334.529 3.019 10 0 EGAERP COc1ccc([C@H]2CCCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249737 461141203 /nfs/dbraw/zinc/14/12/03/461141203.db2.gz YZXSHESYEPJJJD-RTBURBONSA-N 2 0 330.472 3.133 10 0 EGAERP Cc1ccc(CCC2CC[NH+](C[C@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662249511 461141317 /nfs/dbraw/zinc/14/13/17/461141317.db2.gz VZOHCGKSMQRIGS-HXUWFJFHSA-N 2 0 328.500 3.161 10 0 EGAERP Fc1ccc(F)c(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662259260 461147869 /nfs/dbraw/zinc/14/78/69/461147869.db2.gz SXEGFOJIAHMAGI-QGZVFWFLSA-N 2 0 336.426 3.230 10 0 EGAERP C[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000668162009 461148472 /nfs/dbraw/zinc/14/84/72/461148472.db2.gz LNRLSUWQZOBJNN-CQSZACIVSA-N 2 0 347.422 3.003 10 0 EGAERP Cc1cc(C)cc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652362005 461154529 /nfs/dbraw/zinc/15/45/29/461154529.db2.gz VLNUBAYWRSXYFD-TYPHKJRUSA-N 2 0 346.515 3.433 10 0 EGAERP CC(=O)c1ccc2c(c1)CC[N@@H+](Cc1cccc3c1CC[NH2+]C3)CC2 ZINC000662279481 461162427 /nfs/dbraw/zinc/16/24/27/461162427.db2.gz KELVPEPJEASGBM-UHFFFAOYSA-N 2 0 334.463 3.136 10 0 EGAERP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662297206 461175749 /nfs/dbraw/zinc/17/57/49/461175749.db2.gz OIIYZOJTHMKDKQ-PKOBYXMFSA-N 2 0 343.515 3.140 10 0 EGAERP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299044 461176992 /nfs/dbraw/zinc/17/69/92/461176992.db2.gz ZIMPTFGUOUHPIR-NVXWUHKLSA-N 2 0 347.478 3.173 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662387989 461228788 /nfs/dbraw/zinc/22/87/88/461228788.db2.gz YFRQQLVRUPWHEJ-HLIPFELVSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662450771 461248050 /nfs/dbraw/zinc/24/80/50/461248050.db2.gz VXWRETXNUBLCRY-FCEWJHQRSA-N 2 0 343.515 3.058 10 0 EGAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662455052 461249504 /nfs/dbraw/zinc/24/95/04/461249504.db2.gz UKJPPSQGTIDHJO-LPHOPBHVSA-N 2 0 343.515 3.238 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)Cc1ccccc1 ZINC000668489302 461303449 /nfs/dbraw/zinc/30/34/49/461303449.db2.gz CQHRHFYCQIHPJA-PGRDOPGGSA-N 2 0 338.495 3.222 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H]([C@@H]2CCCCO2)C1 ZINC000668630251 461363608 /nfs/dbraw/zinc/36/36/08/461363608.db2.gz HWBKHSUXRCFEKO-XLIONFOSSA-N 2 0 340.471 3.357 10 0 EGAERP C[NH+](C)CCC[C@H]1C[N@H+](Cc2cccc(-c3cccnc3)c2)CCO1 ZINC000668785005 461434110 /nfs/dbraw/zinc/43/41/10/461434110.db2.gz LFDPLXLEJXLEPI-NRFANRHFSA-N 2 0 339.483 3.291 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000655805387 461465363 /nfs/dbraw/zinc/46/53/63/461465363.db2.gz GXWMEMSCKQRVBN-JLZZUVOBSA-N 2 0 337.305 3.236 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C1CC1)[C@@H]1CCCCO1 ZINC000655812536 461469660 /nfs/dbraw/zinc/46/96/60/461469660.db2.gz QHYVSMDXIXIYOF-RBUKOAKNSA-N 2 0 326.444 3.013 10 0 EGAERP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000655819256 461475079 /nfs/dbraw/zinc/47/50/79/461475079.db2.gz XSTNXUIGRCBTPW-VAMGGRTRSA-N 2 0 328.500 3.303 10 0 EGAERP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@H](C[NH3+])C2(C1)CCOCC2 ZINC000655941017 461547478 /nfs/dbraw/zinc/54/74/78/461547478.db2.gz KIWHXPJQAUXDIL-SFHVURJKSA-N 2 0 332.488 3.006 10 0 EGAERP COc1ccccc1N1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000631125058 461572119 /nfs/dbraw/zinc/57/21/19/461572119.db2.gz GPDKXMHLCHXYNH-UHFFFAOYSA-N 2 0 343.515 3.271 10 0 EGAERP COc1c(C)ncnc1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000656125109 461608444 /nfs/dbraw/zinc/60/84/44/461608444.db2.gz VZNSMLFZDJNIRV-AYHJJNSGSA-N 2 0 338.455 3.401 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@@H](OC)[C@H]2CCOC2)CC1)CC(C)C ZINC000660172312 461619654 /nfs/dbraw/zinc/61/96/54/461619654.db2.gz PKJRIVKKJIZAMH-VQTJNVASSA-N 2 0 340.552 3.118 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@H]1c1ccccc1 ZINC000631186006 461624475 /nfs/dbraw/zinc/62/44/75/461624475.db2.gz VJRDKDLHRTVOSK-UXHICEINSA-N 2 0 334.423 3.196 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@H]2CCC[C@@H]21 ZINC000647321367 461632504 /nfs/dbraw/zinc/63/25/04/461632504.db2.gz LEOFTZQCLZVPPJ-NCOADZHNSA-N 2 0 332.513 3.392 10 0 EGAERP Cc1cc(C(F)(F)F)cc(NCC2([NH+]3CCCC3)CCOCC2)n1 ZINC000663547912 461700345 /nfs/dbraw/zinc/70/03/45/461700345.db2.gz XSYCLVNQGSWFLT-UHFFFAOYSA-N 2 0 343.393 3.466 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2CCCc1c(F)cccc1F ZINC000653587776 461743378 /nfs/dbraw/zinc/74/33/78/461743378.db2.gz SCYNONMZGSUSPD-CCKFTAQKSA-N 2 0 338.442 3.081 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@H](C1)OCC[N@@H+]2CCCc1c(F)cccc1F ZINC000653587779 461743464 /nfs/dbraw/zinc/74/34/64/461743464.db2.gz SCYNONMZGSUSPD-ZMYBRWDISA-N 2 0 338.442 3.081 10 0 EGAERP c1c(C[NH2+]C2CCCCC2)nnn1[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456296 461750219 /nfs/dbraw/zinc/75/02/19/461750219.db2.gz XKWDOCPXTHGQHB-FQEVSTJZSA-N 2 0 339.487 3.147 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542880 461756658 /nfs/dbraw/zinc/75/66/58/461756658.db2.gz DHFSOZBDVJGEHN-SJORKVTESA-N 2 0 342.512 3.417 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)c2)C[C@@H](C)O1 ZINC000647792291 461836745 /nfs/dbraw/zinc/83/67/45/461836745.db2.gz YNGNGXCOCAGXMO-ZZDIOYDHSA-N 2 0 343.515 3.096 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1)Nc1ccc(Cl)cc1 ZINC000647901874 461876158 /nfs/dbraw/zinc/87/61/58/461876158.db2.gz WWHUNEYWPAMMEX-WMLDXEAASA-N 2 0 335.879 3.133 10 0 EGAERP C[C@H]1C[C@H](C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710101 461902609 /nfs/dbraw/zinc/90/26/09/461902609.db2.gz DMWRIBUZYTXJGP-LSDHHAIUSA-N 2 0 329.419 3.491 10 0 EGAERP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713138 461906695 /nfs/dbraw/zinc/90/66/95/461906695.db2.gz HDUCYDAECAKYTD-UHFFFAOYSA-N 2 0 346.906 3.420 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCCCOc2ccccc2)C1 ZINC000650725347 461917504 /nfs/dbraw/zinc/91/75/04/461917504.db2.gz YXFRBRUNXMKORO-MISYRCLQSA-N 2 0 332.488 3.206 10 0 EGAERP c1cc(C[NH2+][C@H]2CCCN(Cc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657309545 462034868 /nfs/dbraw/zinc/03/48/68/462034868.db2.gz OBMDJMQLICYJIL-IBGZPJMESA-N 2 0 347.466 3.022 10 0 EGAERP Cc1ccc2cc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)[nH]c2c1 ZINC000657365301 462075336 /nfs/dbraw/zinc/07/53/36/462075336.db2.gz ZTSFBEADWLBSQH-MRXNPFEDSA-N 2 0 327.472 3.067 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000648450084 462123749 /nfs/dbraw/zinc/12/37/49/462123749.db2.gz RSPYYFLYDREVNU-AVRDEDQJSA-N 2 0 341.543 3.156 10 0 EGAERP C[N@H+](CCCOc1ccc(F)cc1)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667531297 462129125 /nfs/dbraw/zinc/12/91/25/462129125.db2.gz ABGOMWLWXUWAGY-UHFFFAOYSA-N 2 0 340.402 3.307 10 0 EGAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000651198351 462132059 /nfs/dbraw/zinc/13/20/59/462132059.db2.gz BXDLNKCDRUIKPL-BQJUDKOJSA-N 2 0 327.516 3.113 10 0 EGAERP c1nc(C2CCC2)sc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657534626 462170556 /nfs/dbraw/zinc/17/05/56/462170556.db2.gz BJVLFPYOVXROHM-UHFFFAOYSA-N 2 0 349.544 3.391 10 0 EGAERP Clc1sccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537238 462172462 /nfs/dbraw/zinc/17/24/62/462172462.db2.gz DUCBYJVFVPPPLY-UHFFFAOYSA-N 2 0 328.909 3.382 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccccc3Cl)cc2)C1 ZINC000657592687 462194838 /nfs/dbraw/zinc/19/48/38/462194838.db2.gz ADYQRJWPSRCUHV-SFHVURJKSA-N 2 0 330.859 3.196 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4ncccc4c3)cc2)C1 ZINC000657593707 462195616 /nfs/dbraw/zinc/19/56/16/462195616.db2.gz CBVNTNCCMARWPJ-NRFANRHFSA-N 2 0 347.462 3.091 10 0 EGAERP CC1=CCC[C@H](C)[C@H]1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595365 462196001 /nfs/dbraw/zinc/19/60/01/462196001.db2.gz HEGSUDDYEYHNTK-YYWHXJBOSA-N 2 0 328.500 3.335 10 0 EGAERP Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@@H](O)C4)cc3)cc21 ZINC000657598065 462199430 /nfs/dbraw/zinc/19/94/30/462199430.db2.gz XQIHHILLUNWTOS-HXUWFJFHSA-N 2 0 349.478 3.333 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667688098 462215952 /nfs/dbraw/zinc/21/59/52/462215952.db2.gz FPNHPZKRVDSXNU-KRWDZBQOSA-N 2 0 330.520 3.306 10 0 EGAERP Cc1cnn(C)c1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657771721 462259548 /nfs/dbraw/zinc/25/95/48/462259548.db2.gz FJRQUDWIHPYERU-IBGZPJMESA-N 2 0 338.499 3.120 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2[C@@H]3Cc4cc(F)ccc4[C@@H]32)cc1 ZINC000657790680 462266637 /nfs/dbraw/zinc/26/66/37/462266637.db2.gz MQEKLKVMNIDQMK-QHAWAJNXSA-N 2 0 340.442 3.194 10 0 EGAERP CCn1c2ccccc2nc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813033 462279159 /nfs/dbraw/zinc/27/91/59/462279159.db2.gz ZCMNUHLTVSRXJP-UHFFFAOYSA-N 2 0 326.488 3.268 10 0 EGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H]2CCCSCC2)CC1 ZINC000657839093 462291466 /nfs/dbraw/zinc/29/14/66/462291466.db2.gz LNKYTUWMLBRZAB-FQEVSTJZSA-N 2 0 347.572 3.199 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000657902087 462311836 /nfs/dbraw/zinc/31/18/36/462311836.db2.gz XHVBUAVALRWCPD-HXUWFJFHSA-N 2 0 340.552 3.166 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667896112 462312198 /nfs/dbraw/zinc/31/21/98/462312198.db2.gz JWTJABFFRNEUOQ-CEDHKZHLSA-N 2 0 328.500 3.300 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651765447 462329551 /nfs/dbraw/zinc/32/95/51/462329551.db2.gz RNOMZKOHJNWFPL-CJNGLKHVSA-N 2 0 339.886 3.082 10 0 EGAERP O[C@]1(C2CC2)CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000661633584 462338107 /nfs/dbraw/zinc/33/81/07/462338107.db2.gz VKKHVYFWENOMLC-OAQYLSRUSA-N 2 0 328.500 3.409 10 0 EGAERP COC[C@@H](CC(C)(C)C)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000651831830 462352111 /nfs/dbraw/zinc/35/21/11/462352111.db2.gz JRBHZJKCBVXKLP-LJQANCHMSA-N 2 0 348.531 3.054 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccc1N(C)C ZINC000658068256 462366532 /nfs/dbraw/zinc/36/65/32/462366532.db2.gz VJABMVCULLDLCB-KRWDZBQOSA-N 2 0 345.531 3.294 10 0 EGAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)OC ZINC000658083452 462376300 /nfs/dbraw/zinc/37/63/00/462376300.db2.gz QQWJFWJEXGGUEK-BURNTYAHSA-N 2 0 346.515 3.071 10 0 EGAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277340 462382015 /nfs/dbraw/zinc/38/20/15/462382015.db2.gz ZHHUWMQJGAIVRC-IHPCNDPISA-N 2 0 327.516 3.019 10 0 EGAERP CC[C@@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(C)cc1 ZINC000665285557 462384209 /nfs/dbraw/zinc/38/42/09/462384209.db2.gz PRRMXUFUDMPQJC-LJQANCHMSA-N 2 0 331.504 3.026 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000665289876 462387121 /nfs/dbraw/zinc/38/71/21/462387121.db2.gz ZRAUMQGVBJGUBN-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](CCC(C)C)C(C)(C)C)CC1 ZINC000665289020 462387736 /nfs/dbraw/zinc/38/77/36/462387736.db2.gz DDLAKHMZKMYHNI-SFHVURJKSA-N 2 0 339.568 3.418 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3CCCF)cc2)C1 ZINC000658135404 462399085 /nfs/dbraw/zinc/39/90/85/462399085.db2.gz DLQGLRKGBLZQEK-XUVXKRRUSA-N 2 0 334.479 3.261 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1F ZINC000658143130 462405063 /nfs/dbraw/zinc/40/50/63/462405063.db2.gz WUVKJXZGGMUWPT-RDTXWAMCSA-N 2 0 346.421 3.382 10 0 EGAERP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000658143630 462407757 /nfs/dbraw/zinc/40/77/57/462407757.db2.gz ZPQBQHMLBRDCTH-QAPCUYQASA-N 2 0 328.456 3.259 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000658170607 462417693 /nfs/dbraw/zinc/41/76/93/462417693.db2.gz XMUYHDIMBLRMIL-ABHNRTSZSA-N 2 0 338.442 3.443 10 0 EGAERP C[C@@H](CCSc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153095 462532476 /nfs/dbraw/zinc/53/24/76/462532476.db2.gz NQJMTLATIRMVQL-WMZOPIPTSA-N 2 0 334.529 3.088 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH+]2CCC(C3CCOCC3)CC2)cc1 ZINC000093704951 546685882 /nfs/dbraw/zinc/68/58/82/546685882.db2.gz UXIGEYCMDROWHP-UHFFFAOYSA-N 2 0 346.515 3.266 10 0 EGAERP CCCn1nccc1C[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000310941179 547461639 /nfs/dbraw/zinc/46/16/39/547461639.db2.gz JSOHOCAUFZFXOT-SESVDKBCSA-N 2 0 338.499 3.293 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@@H]21 ZINC000671743165 548349798 /nfs/dbraw/zinc/34/97/98/548349798.db2.gz LPWJVKTZRADPCB-FSSWDIPSSA-N 3 0 341.543 3.361 10 0 EGAERP CC[C@@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)[NH+](CC)CC ZINC000673751697 548615147 /nfs/dbraw/zinc/61/51/47/548615147.db2.gz WNTZOOVQNSPSGW-QUCCMNQESA-N 2 0 345.531 3.230 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC[C@H]1CCCC[NH+]1C ZINC000675499041 548930324 /nfs/dbraw/zinc/93/03/24/548930324.db2.gz JXNANDMPIOHHBG-TZIWHRDSSA-N 2 0 329.532 3.457 10 0 EGAERP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000677127919 549213329 /nfs/dbraw/zinc/21/33/29/549213329.db2.gz UBKFSEIUMWDCGG-DTQAZKPQSA-N 2 0 335.923 3.359 10 0 EGAERP Cc1cc([C@@H]([NH2+][C@H]2CCN(C3CC[NH+](C)CC3)C2)C2CC2)ccc1F ZINC000678687442 576169313 /nfs/dbraw/zinc/16/93/13/576169313.db2.gz YSQWNENQJADZFO-RXVVDRJESA-N 2 0 345.506 3.343 10 0 EGAERP COCc1ccc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)o1 ZINC000382489168 576253593 /nfs/dbraw/zinc/25/35/93/576253593.db2.gz MJPOZJWEHKXZIS-IOMROCGXSA-N 2 0 340.467 3.426 10 0 EGAERP C[C@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C)CC1 ZINC000119089569 1293254158 /nfs/dbraw/zinc/25/41/58/1293254158.db2.gz CUUNMVKMXCYRBO-GFCCVEGCSA-N 2 0 349.828 3.084 10 0 EGAERP COC[C@H]1C[N@@H+](C2CCC2)CC12CC[NH+](Cc1ccc(C)o1)CC2 ZINC000169782602 1294372404 /nfs/dbraw/zinc/37/24/04/1294372404.db2.gz NKUAPKFOIWTOKY-QGZVFWFLSA-N 2 0 332.488 3.301 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc([N+](=O)[O-])c(Cl)c2)CC1 ZINC000185296827 1295252941 /nfs/dbraw/zinc/25/29/41/1295252941.db2.gz SOKKPJWYHZRNAJ-UHFFFAOYSA-N 2 0 325.840 3.460 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]CC[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000301704839 1296792846 /nfs/dbraw/zinc/79/28/46/1296792846.db2.gz BPEHACOALUQYBF-IRXDYDNUSA-N 2 0 339.524 3.098 10 0 EGAERP C[C@H]1C[C@@H](N2CCC3(CC[NH2+]CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000302655479 1296804423 /nfs/dbraw/zinc/80/44/23/1296804423.db2.gz ZVLBAVLPCGCSQO-AZUAARDMSA-N 2 0 327.516 3.115 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C ZINC000309924587 1297079500 /nfs/dbraw/zinc/07/95/00/1297079500.db2.gz SKFZEJCEZPQJCO-JKSUJKDBSA-N 2 0 329.529 3.247 10 0 EGAERP CC(C)[NH+]1CCC(NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000310066042 1297087402 /nfs/dbraw/zinc/08/74/02/1297087402.db2.gz BLGWECMGPUAZHJ-HXUWFJFHSA-N 2 0 329.532 3.361 10 0 EGAERP COC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000310966954 1297103929 /nfs/dbraw/zinc/10/39/29/1297103929.db2.gz CNKPTTFKQMAAGG-VAMGGRTRSA-N 2 0 344.499 3.220 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000873260746 1297394920 /nfs/dbraw/zinc/39/49/20/1297394920.db2.gz GXOXUBBWNSCMPK-AXVVYFOYSA-N 2 0 336.483 3.370 10 0 EGAERP CN(C[C@H]([NH3+])Cc1ccccc1)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000382794423 1297564989 /nfs/dbraw/zinc/56/49/89/1297564989.db2.gz SPWNHOWBJDYUCL-FGZHOGPDSA-N 2 0 337.511 3.010 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CCOc2cccc(Br)c2)CC1 ZINC000715554659 1298279598 /nfs/dbraw/zinc/27/95/98/1298279598.db2.gz WXPUBWLIQWZBHJ-UHFFFAOYSA-N 2 0 341.293 3.290 10 0 EGAERP Cc1cc(C)[nH+]c(NCC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000721776662 1298333507 /nfs/dbraw/zinc/33/35/07/1298333507.db2.gz ODELDEWDPLFAHR-UHFFFAOYSA-N 2 0 325.456 3.137 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1 ZINC000925800222 1325307081 /nfs/dbraw/zinc/30/70/81/1325307081.db2.gz XJDBQRPKXFVTDX-FRRDWIJNSA-N 2 0 341.293 3.354 10 0 EGAERP CCOC(=O)[C@H](C)[C@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894454774 1308896672 /nfs/dbraw/zinc/89/66/72/1308896672.db2.gz XRTPBFSOEHCIGJ-JVJLKXRTSA-N 2 0 344.499 3.217 10 0 EGAERP COC(=O)C(C)(C)CC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894740187 1309046684 /nfs/dbraw/zinc/04/66/84/1309046684.db2.gz FZYQPGQXNPYJMV-OTWHNJEPSA-N 2 0 344.499 3.218 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CC[C@H]3CCOC3)cc2)C[C@H](C)O1 ZINC000895739810 1309498293 /nfs/dbraw/zinc/49/82/93/1309498293.db2.gz HVTDKYHQMUQNNM-UEXGIBASSA-N 2 0 346.515 3.154 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000929274983 1328554550 /nfs/dbraw/zinc/55/45/50/1328554550.db2.gz DGRVXKYSUMCOHJ-CVEARBPZSA-N 2 0 334.426 3.294 10 0 EGAERP C[NH+](C)Cc1ccc(NC(=O)C2CC[NH+](C)CC2)cc1C(F)(F)F ZINC000899672005 1317128905 /nfs/dbraw/zinc/12/89/05/1317128905.db2.gz LYBZVVLDCWSAEF-UHFFFAOYSA-N 2 0 343.393 3.047 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@@H]1CCC3(CCCCCC3)O1)CCO2 ZINC000930823385 1328980831 /nfs/dbraw/zinc/98/08/31/1328980831.db2.gz JWWCEVHWUTXCPP-SFHVURJKSA-N 2 0 336.520 3.055 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cc[nH]c(=O)c2)cc1 ZINC000921536172 1322343783 /nfs/dbraw/zinc/34/37/83/1322343783.db2.gz WMVWTSVYEGHNBW-MRXNPFEDSA-N 2 0 325.456 3.451 10 0 EGAERP O=c1cc(C[NH2+]CC2CC[NH+](Cc3ccccc3Cl)CC2)cc[nH]1 ZINC000921705307 1322381360 /nfs/dbraw/zinc/38/13/60/1322381360.db2.gz SLHBKIIAKMYQMO-UHFFFAOYSA-N 2 0 345.874 3.442 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cn(C)nc2C2CCCC2)C[C@H](C)O1 ZINC000921758321 1322393982 /nfs/dbraw/zinc/39/39/82/1322393982.db2.gz DBACLKZCNWOESO-IRXDYDNUSA-N 2 0 348.535 3.057 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922896685 1322643886 /nfs/dbraw/zinc/64/38/86/1322643886.db2.gz JBYHEAWBGBZBIL-CTNGQTDRSA-N 2 0 346.515 3.312 10 0 EGAERP C[N@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)CC(C)(C)C[NH3+] ZINC000923294816 1322727462 /nfs/dbraw/zinc/72/74/62/1322727462.db2.gz QINRMSAFFWFDBM-DZGCQCFKSA-N 2 0 330.394 3.085 10 0 EGAERP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923380006 1322742810 /nfs/dbraw/zinc/74/28/10/1322742810.db2.gz UFJRLLRLOCRHOZ-YLJYHZDGSA-N 2 0 340.442 3.078 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)cc1F ZINC000923378717 1322742869 /nfs/dbraw/zinc/74/28/69/1322742869.db2.gz LQCNBAAIKRFEEX-CZUORRHYSA-N 2 0 326.843 3.144 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cccc(C(F)(F)F)c1)CC2 ZINC000923439042 1322752166 /nfs/dbraw/zinc/75/21/66/1322752166.db2.gz CEWKSQYUTGHWFC-HNNXBMFYSA-N 2 0 328.378 3.035 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(OCc3ccccn3)cc2)CC[C@@H]1C[NH3+] ZINC000923499393 1322762243 /nfs/dbraw/zinc/76/22/43/1322762243.db2.gz KHFYQRGUQSXJPT-FUHWJXTLSA-N 2 0 325.456 3.077 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000924606880 1323073402 /nfs/dbraw/zinc/07/34/02/1323073402.db2.gz GLKNEGJIHLSLFL-TZIWHRDSSA-N 2 0 340.515 3.291 10 0 EGAERP c1ccc(C[C@@H](Cc2cccnc2)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000924647999 1323091768 /nfs/dbraw/zinc/09/17/68/1323091768.db2.gz JYFHJCPOVJPABU-SFTDATJTSA-N 2 0 335.495 3.309 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1 ZINC000924697552 1323117943 /nfs/dbraw/zinc/11/79/43/1323117943.db2.gz UKSYSCHKBSGPBX-YPAWHYETSA-N 2 0 335.495 3.452 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cccc(OC)n1 ZINC000924704592 1323123007 /nfs/dbraw/zinc/12/30/07/1323123007.db2.gz QYDQKCAYSONSHY-GOSISDBHSA-N 2 0 343.471 3.272 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)[C@@H](NC(C)=O)c2ccccc2F)CC1 ZINC000924956147 1323226901 /nfs/dbraw/zinc/22/69/01/1323226901.db2.gz UBSMHHDFZOEYFW-FOIQADDNSA-N 2 0 349.494 3.103 10 0 EGAERP COc1cc([C@H](C)[NH2+]C[C@@H](C)N2CC[NH+](C)CC2)cc2ccccc21 ZINC000924967067 1323232680 /nfs/dbraw/zinc/23/26/80/1323232680.db2.gz WFSPSXHJFQVLLY-SJORKVTESA-N 2 0 341.499 3.135 10 0 EGAERP COc1cc([C@@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc2ccccc21 ZINC000924967062 1323232759 /nfs/dbraw/zinc/23/27/59/1323232759.db2.gz WFSPSXHJFQVLLY-DLBZAZTESA-N 2 0 341.499 3.135 10 0 EGAERP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CCc1ccc(OCC[NH+](C)C)cc1 ZINC000924969629 1323232780 /nfs/dbraw/zinc/23/27/80/1323232780.db2.gz LIABVUVROZBLKZ-SFHVURJKSA-N 2 0 343.471 3.133 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1(Br)CC1 ZINC000925076634 1323269026 /nfs/dbraw/zinc/26/90/26/1323269026.db2.gz XLMHSGOGVKGITI-LLVKDONJSA-N 2 0 329.257 3.293 10 0 EGAERP Cc1nc2c(o1)CCC[C@@H]2[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000925300213 1325116729 /nfs/dbraw/zinc/11/67/29/1325116729.db2.gz IUOKIWHRPAFHHV-KRWDZBQOSA-N 2 0 326.444 3.262 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925504686 1325181686 /nfs/dbraw/zinc/18/16/86/1325181686.db2.gz LRWCPMNCCUGGSN-RBUKOAKNSA-N 2 0 332.488 3.004 10 0 EGAERP COc1cccc([C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000925507270 1325183196 /nfs/dbraw/zinc/18/31/96/1325183196.db2.gz VMCQLHOUVUPDCH-HBFSDRIKSA-N 2 0 345.531 3.328 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000925508249 1325183367 /nfs/dbraw/zinc/18/33/67/1325183367.db2.gz PQWVLWDPQZRSOZ-QZTJIDSGSA-N 2 0 334.479 3.370 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000925510665 1325184952 /nfs/dbraw/zinc/18/49/52/1325184952.db2.gz ZPIFNJVVMKGDJA-RTBURBONSA-N 2 0 343.515 3.034 10 0 EGAERP c1nn(-c2ccccc2)cc1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925536084 1325196113 /nfs/dbraw/zinc/19/61/13/1325196113.db2.gz MWUZLJGHLNVWRU-NHCUHLMSSA-N 2 0 338.499 3.173 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925550348 1325203087 /nfs/dbraw/zinc/20/30/87/1325203087.db2.gz RDVXCQRWMUVVMO-JKSUJKDBSA-N 2 0 334.504 3.477 10 0 EGAERP C[C@H](O)C[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1 ZINC000925551996 1325204911 /nfs/dbraw/zinc/20/49/11/1325204911.db2.gz DSFPYAGRMMSCQV-ZXNZYJFHSA-N 2 0 330.516 3.299 10 0 EGAERP CCCC(=O)Nc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925559209 1325207728 /nfs/dbraw/zinc/20/77/28/1325207728.db2.gz RMMOMIKMQBRGCU-NEWSRXKRSA-N 2 0 329.488 3.291 10 0 EGAERP Cc1ccc([C@@H](CN[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)[NH+]2CCCC2)o1 ZINC000925559255 1325208000 /nfs/dbraw/zinc/20/80/00/1325208000.db2.gz SKUMAKYRSJSBRP-FPAYPSAMSA-N 2 0 331.504 3.091 10 0 EGAERP COc1ccc(COCCC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925566097 1325213200 /nfs/dbraw/zinc/21/32/00/1325213200.db2.gz DCLZBVMOLJJISW-SFTDATJTSA-N 2 0 346.515 3.360 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+]CCc1coc(-c2ccc(F)cc2)n1 ZINC000925587438 1325221934 /nfs/dbraw/zinc/22/19/34/1325221934.db2.gz YUZGXSQPUHQJAU-BDQJQXKSSA-N 2 0 329.419 3.129 10 0 EGAERP c1cc(C[NH+]2CCSCC2)cc(N[C@H]2CC[NH2+]C23CCCC3)c1 ZINC000925604406 1325229267 /nfs/dbraw/zinc/22/92/67/1325229267.db2.gz YIPDZPIYWPTLIJ-SFHVURJKSA-N 2 0 331.529 3.322 10 0 EGAERP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925617660 1325233560 /nfs/dbraw/zinc/23/35/60/1325233560.db2.gz DQESZCPLMMMQBB-UXHICEINSA-N 2 0 338.499 3.439 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925621481 1325235291 /nfs/dbraw/zinc/23/52/91/1325235291.db2.gz HRGDKWSZOIYUAL-SFTDATJTSA-N 2 0 346.515 3.360 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cc(F)cc(Cl)c1 ZINC000925659659 1325253581 /nfs/dbraw/zinc/25/35/81/1325253581.db2.gz ZCFNGHFMDPHNSR-OKZBNKHCSA-N 2 0 340.870 3.270 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(COC[C@H]3CCCO3)c2)C1 ZINC000925717839 1325268287 /nfs/dbraw/zinc/26/82/87/1325268287.db2.gz VELRARZTEQUYJP-VAMGGRTRSA-N 2 0 346.515 3.378 10 0 EGAERP C[C@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725706 1325270268 /nfs/dbraw/zinc/27/02/68/1325270268.db2.gz NCBBRPASHRLAFV-XGCTXWDBSA-N 2 0 347.300 3.206 10 0 EGAERP Cc1nc(-c2cccnc2)sc1[C@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799177 1325305745 /nfs/dbraw/zinc/30/57/45/1325305745.db2.gz NIQYBMIJCQVJNM-VNHYZAJKSA-N 2 0 330.501 3.410 10 0 EGAERP COC[C@H]([NH2+]CC[C@@H]1C[NH2+]C[C@H]1C)c1cccc(C(F)(F)F)c1 ZINC000925798033 1325306123 /nfs/dbraw/zinc/30/61/23/1325306123.db2.gz KICVQDLDLKUBQC-XPKDYRNWSA-N 2 0 330.394 3.228 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1cccc(Cl)c1 ZINC000925797424 1325306741 /nfs/dbraw/zinc/30/67/41/1325306741.db2.gz HFLZMAUTWNXHMA-VNHYZAJKSA-N 2 0 347.894 3.125 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cc1 ZINC000925811320 1325311974 /nfs/dbraw/zinc/31/19/74/1325311974.db2.gz ZQXFCLWCJNUMSV-MRXNPFEDSA-N 2 0 327.447 3.082 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000925814109 1325313463 /nfs/dbraw/zinc/31/34/63/1325313463.db2.gz GFDUOCCVCFIGGV-KRWDZBQOSA-N 2 0 342.314 3.457 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@@H](c3cccc(Cl)c3)C2)CC1 ZINC000925816951 1325314414 /nfs/dbraw/zinc/31/44/14/1325314414.db2.gz MEDHZYKBJRXODT-APWZRJJASA-N 2 0 335.923 3.379 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)O1 ZINC000925834265 1325321811 /nfs/dbraw/zinc/32/18/11/1325321811.db2.gz MEIYZFIIZJNOBX-JKJDWNRSSA-N 2 0 334.426 3.387 10 0 EGAERP CC(C)[C@@H]1C[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925849658 1325329068 /nfs/dbraw/zinc/32/90/68/1325329068.db2.gz JNPKIJIUCZNCRD-SNRMKQJTSA-N 2 0 342.483 3.146 10 0 EGAERP CC(C)CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850102 1325329102 /nfs/dbraw/zinc/32/91/02/1325329102.db2.gz NBWWKXIHIPDIFH-IRXDYDNUSA-N 2 0 334.460 3.032 10 0 EGAERP O=C1O[C@H](C[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC12CC[NH2+]CC2 ZINC000925850247 1325329632 /nfs/dbraw/zinc/32/96/32/1325329632.db2.gz HADKMYAKROOOHT-DLBZAZTESA-N 2 0 348.874 3.066 10 0 EGAERP CCC[C@H](CCc1ccccc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851156 1325330817 /nfs/dbraw/zinc/33/08/17/1325330817.db2.gz MMWJTVOEQXKZQS-MOPGFXCFSA-N 2 0 344.499 3.063 10 0 EGAERP CCc1ccc([C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C(C)C)cc1 ZINC000925857732 1325333305 /nfs/dbraw/zinc/33/33/05/1325333305.db2.gz QLRAPBFMCUNOEH-OALUTQOASA-N 2 0 344.499 3.221 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c(C)c1OC ZINC000925880694 1325340433 /nfs/dbraw/zinc/34/04/33/1325340433.db2.gz NJQPFOJVDYQROZ-RCCFBDPRSA-N 2 0 332.488 3.413 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c(C)c1OC ZINC000925880691 1325340669 /nfs/dbraw/zinc/34/06/69/1325340669.db2.gz NJQPFOJVDYQROZ-KZNAEPCWSA-N 2 0 332.488 3.413 10 0 EGAERP CC(=O)Nc1cccc([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925887401 1325344680 /nfs/dbraw/zinc/34/46/80/1325344680.db2.gz BZCXUJVANHOSIU-LPTQZCDUSA-N 2 0 337.467 3.355 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)C[C@@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887405 1325344717 /nfs/dbraw/zinc/34/47/17/1325344717.db2.gz CBEWNFNBDXCWHT-QQUTXWOLSA-N 2 0 349.522 3.156 10 0 EGAERP CNC(=O)C[C@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926347302 1325523103 /nfs/dbraw/zinc/52/31/03/1325523103.db2.gz YPXPJDGOWATPIE-UZLBHIALSA-N 2 0 339.483 3.276 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2oc(=O)[nH]c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926831522 1327736034 /nfs/dbraw/zinc/73/60/34/1327736034.db2.gz CMXAWDLWBVVWMT-ZDUSSCGKSA-N 2 0 325.412 3.446 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@H]3C)O2)CC1 ZINC000926879768 1327754157 /nfs/dbraw/zinc/75/41/57/1327754157.db2.gz WJCIZERZITXLEL-IZBJGVDFSA-N 2 0 338.536 3.059 10 0 EGAERP C[C@@H]([NH2+][C@H](CO)CCc1ccccc1)c1cccc(C[NH+](C)C)c1 ZINC000926893318 1327761389 /nfs/dbraw/zinc/76/13/89/1327761389.db2.gz RXSHQWVPHVEVSS-UTKZUKDTSA-N 2 0 326.484 3.393 10 0 EGAERP C[C@H]1[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000926893424 1327761445 /nfs/dbraw/zinc/76/14/45/1327761445.db2.gz QHPVQFGSIHMGCD-XCDJFROHSA-N 2 0 327.516 3.254 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)CC1 ZINC000927039919 1327827627 /nfs/dbraw/zinc/82/76/27/1327827627.db2.gz XOEFEYRGJHHXAK-NMSBFTQNSA-N 2 0 326.575 3.363 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[C@H](C)[NH2+]C2)ccc1OC ZINC000863547677 1329562172 /nfs/dbraw/zinc/56/21/72/1329562172.db2.gz RJFOAMPXPVGTBT-TXPKVOOTSA-N 2 0 333.520 3.328 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cccnc2Br)CC1 ZINC000865451420 1329699192 /nfs/dbraw/zinc/69/91/92/1329699192.db2.gz NJXSUSYHJGJLCY-UHFFFAOYSA-N 2 0 326.282 3.056 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866231006 1330081251 /nfs/dbraw/zinc/08/12/51/1330081251.db2.gz LICJBDPEIXLUGI-OAQYLSRUSA-N 2 0 337.511 3.444 10 0 EGAERP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@](C[NH3+])(C(C)(C)C)C1 ZINC000866705390 1330143031 /nfs/dbraw/zinc/14/30/31/1330143031.db2.gz YZCUDLJWMYSZDL-LAUBAEHRSA-N 2 0 345.531 3.039 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001323016693 1387266950 /nfs/dbraw/zinc/26/69/50/1387266950.db2.gz YPWUIWRJNNXUEN-OALUTQOASA-N 2 0 349.563 3.314 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001323458800 1387373100 /nfs/dbraw/zinc/37/31/00/1387373100.db2.gz COIFWUKTXGWNFC-IBGZPJMESA-N 2 0 347.547 3.212 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001323946043 1387499100 /nfs/dbraw/zinc/49/91/00/1387499100.db2.gz JBNPMHPWFALVOL-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001324186071 1387553432 /nfs/dbraw/zinc/55/34/32/1387553432.db2.gz GOLZFLAATIQQMN-GOSISDBHSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CC[C@](C)(NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324640965 1387713762 /nfs/dbraw/zinc/71/37/62/1387713762.db2.gz HCCHCACPIJURNF-ICSRJNTNSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001324642046 1387714988 /nfs/dbraw/zinc/71/49/88/1387714988.db2.gz RKZSXKNCQFYCRO-ZWOKBUDYSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001324751063 1387759865 /nfs/dbraw/zinc/75/98/65/1387759865.db2.gz KGUHYVCPIRBNDY-HXUWFJFHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001324774642 1387767832 /nfs/dbraw/zinc/76/78/32/1387767832.db2.gz ALTLJOKWWIDBBY-TZIWHRDSSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001324869154 1387797643 /nfs/dbraw/zinc/79/76/43/1387797643.db2.gz OFQRYADEXLOPDB-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2(C)CC[NH+](CCC3CC3)CC2)C1 ZINC001324897813 1387809915 /nfs/dbraw/zinc/80/99/15/1387809915.db2.gz QUOMDDDNTWVVSP-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001324958599 1387852826 /nfs/dbraw/zinc/85/28/26/1387852826.db2.gz VASDHVOGYQUVBQ-AZUAARDMSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)(C)OC(=O)N[C@H]1CN(CCC[NH+]2CCCCC2)CC1(C)C ZINC001197728928 1368882871 /nfs/dbraw/zinc/88/28/71/1368882871.db2.gz RILSVOILCURLMO-INIZCTEOSA-N 2 0 339.524 3.098 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001325899777 1388072888 /nfs/dbraw/zinc/07/28/88/1388072888.db2.gz RAFWOLQGCWHZAZ-XUVXKRRUSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC001325917973 1388082343 /nfs/dbraw/zinc/08/23/43/1388082343.db2.gz CPVZQXPWLVINCI-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001326490383 1388215273 /nfs/dbraw/zinc/21/52/73/1388215273.db2.gz QMBBOBOLCGRZKC-LPHOPBHVSA-N 2 0 345.531 3.341 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CCCC[NH+](C)C)cc1 ZINC001326760232 1388301714 /nfs/dbraw/zinc/30/17/14/1388301714.db2.gz LHHPSNQRPMLMQW-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C)cc1C ZINC001698610281 1406239663 /nfs/dbraw/zinc/23/96/63/1406239663.db2.gz JCLMWRGRFVLYKT-BJLQDIEVSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C/CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001327225670 1388452552 /nfs/dbraw/zinc/45/25/52/1388452552.db2.gz QQHDOMPFWRMIER-YSKLNCTFSA-N 2 0 335.536 3.140 10 0 EGAERP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266102418 1377186123 /nfs/dbraw/zinc/18/61/23/1377186123.db2.gz JSVCLHFFTDDLSV-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccccc1C(C)C ZINC001266109295 1377189039 /nfs/dbraw/zinc/18/90/39/1377189039.db2.gz SRNWALLCKRWBTN-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP O=C(NCCC[N@H+](CC1CCCC1)C1CC1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001266143656 1377206168 /nfs/dbraw/zinc/20/61/68/1377206168.db2.gz SRFYVEDBHNMQLY-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP CC[C@H](C)C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001266606716 1377342301 /nfs/dbraw/zinc/34/23/01/1377342301.db2.gz BDPUFLKIYWAIDL-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CCC[C@@](CNC(=O)c2cccc(CC[NH+](C)C)c2)([NH+](C)C)C1 ZINC001136360841 1377383102 /nfs/dbraw/zinc/38/31/02/1377383102.db2.gz QWHQLEXNEZRDSE-DYESRHJHSA-N 2 0 345.531 3.031 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267181333 1377427182 /nfs/dbraw/zinc/42/71/82/1377427182.db2.gz ITXBNJPSIYSHJL-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)NCC[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001267570287 1377459857 /nfs/dbraw/zinc/45/98/57/1377459857.db2.gz LVFJUYIBCCNSHM-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267603913 1377463277 /nfs/dbraw/zinc/46/32/77/1377463277.db2.gz HFECOZAQTCUYAT-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC=C(C)C)CC[N@@H+]1C ZINC001268156122 1377489260 /nfs/dbraw/zinc/48/92/60/1377489260.db2.gz LYJKCBPKGQONGX-GBESFXJTSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741796 1377523899 /nfs/dbraw/zinc/52/38/99/1377523899.db2.gz YLYJVHPSLWWAER-SJORKVTESA-N 2 0 331.504 3.059 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269740497 1377568553 /nfs/dbraw/zinc/56/85/53/1377568553.db2.gz HAXMIWGQTMHWJW-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCCCCC1 ZINC001271939748 1377653607 /nfs/dbraw/zinc/65/36/07/1377653607.db2.gz GXKJBSBVVHFASO-GOSISDBHSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001275768221 1378156599 /nfs/dbraw/zinc/15/65/99/1378156599.db2.gz NTLWBZQFSFPFEQ-HQYUYXFKSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001277537520 1378234045 /nfs/dbraw/zinc/23/40/45/1378234045.db2.gz GGEYMTWZUZQBON-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279045733 1378296806 /nfs/dbraw/zinc/29/68/06/1378296806.db2.gz MKMUOTIOBPVFHS-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP O=C([C@@H]1CC[C@H]2CCCC[N@@H+]21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001141669457 1378360734 /nfs/dbraw/zinc/36/07/34/1378360734.db2.gz RQDNQRNTSSMGKK-UXHICEINSA-N 2 0 347.547 3.260 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001281021522 1378393239 /nfs/dbraw/zinc/39/32/39/1378393239.db2.gz OREDOONYFYUJQH-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001281834498 1378454846 /nfs/dbraw/zinc/45/48/46/1378454846.db2.gz ZYELUBHQFQEYHP-YJJPMGAVSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001282977954 1378695303 /nfs/dbraw/zinc/69/53/03/1378695303.db2.gz RHYSHUQRODOCOW-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c(C)c1 ZINC001283259084 1378774137 /nfs/dbraw/zinc/77/41/37/1378774137.db2.gz FFGSCHRQJFGRRM-RBUKOAKNSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H]1[C@H]([NH2+]CC2CCCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001283924756 1379276813 /nfs/dbraw/zinc/27/68/13/1379276813.db2.gz ALYIEQSPCVRPOB-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1[C@H]([NH2+]CC2CC(C)(C)C2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001283938499 1379287782 /nfs/dbraw/zinc/28/77/82/1379287782.db2.gz IOZRIYSFJWDQBV-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001284155457 1379552008 /nfs/dbraw/zinc/55/20/08/1379552008.db2.gz VBSUTXPRZLASFE-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(N[C@H]1CC[C@@H](C[NH2+]CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001284191588 1379584447 /nfs/dbraw/zinc/58/44/47/1379584447.db2.gz QOXDXFLTIYPAOZ-MOPGFXCFSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001284192966 1379586341 /nfs/dbraw/zinc/58/63/41/1379586341.db2.gz SZWNRUWFRFMKSQ-IAGOWNOFSA-N 2 0 340.471 3.097 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250384 1379633544 /nfs/dbraw/zinc/63/35/44/1379633544.db2.gz ZUTIVFOGZCWTNM-YLJYHZDGSA-N 2 0 343.515 3.036 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001284346481 1379743995 /nfs/dbraw/zinc/74/39/95/1379743995.db2.gz IMUBGSOISLMZAR-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630881 1380034595 /nfs/dbraw/zinc/03/45/95/1380034595.db2.gz KMFULOPYDAWPHZ-PBHICJAKSA-N 2 0 348.535 3.145 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001284653442 1380068680 /nfs/dbraw/zinc/06/86/80/1380068680.db2.gz RWNZDDDHLKUYML-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001284653683 1380069758 /nfs/dbraw/zinc/06/97/58/1380069758.db2.gz UVFBPXXIJPRSEN-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[C@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001284702004 1380116627 /nfs/dbraw/zinc/11/66/27/1380116627.db2.gz JBFPGMLIWXYCSQ-ZWKOTPCHSA-N 2 0 339.568 3.226 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001284724329 1380144969 /nfs/dbraw/zinc/14/49/69/1380144969.db2.gz VHYBPIQEFFYPQI-KAGICYHLSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284781112 1380204158 /nfs/dbraw/zinc/20/41/58/1380204158.db2.gz KHIOEXHDAWMUGE-UHFFFAOYSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001284917019 1380309511 /nfs/dbraw/zinc/30/95/11/1380309511.db2.gz COVHTOVTWJHXFE-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP O=C(Nc1ccccc1Nc1cc[nH+]cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001156432453 1380575473 /nfs/dbraw/zinc/57/54/73/1380575473.db2.gz VOFUMSWMRYNGTD-LPHOPBHVSA-N 2 0 336.439 3.203 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001328389117 1388735252 /nfs/dbraw/zinc/73/52/52/1388735252.db2.gz YFNQBWKEVVDBQX-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C ZINC001296530905 1383012304 /nfs/dbraw/zinc/01/23/04/1383012304.db2.gz WVYUTLRNIDUHMZ-CUDHKJQZSA-N 2 0 343.515 3.119 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328805709 1388871609 /nfs/dbraw/zinc/87/16/09/1388871609.db2.gz GEXWYSOMYDJSIT-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)[C@H]3CCC[NH+]3C)CC2)C1 ZINC001328812219 1388877979 /nfs/dbraw/zinc/87/79/79/1388877979.db2.gz KZDLPJHXRUZKHD-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1C[C@]23C[NH+](C[C@@H](O)Cc4cccc(Cl)c4)C[C@@]2(C1)CCCC3 ZINC001308172451 1384105138 /nfs/dbraw/zinc/10/51/38/1384105138.db2.gz ZWNWYULOJUCUPS-SLFFLAALSA-N 2 0 348.918 3.051 10 0 EGAERP CN(C[C@@H]1CCN1Cc1ccsc1)C(=O)CCC[NH+]1CCCCC1 ZINC001316609468 1384478768 /nfs/dbraw/zinc/47/87/68/1384478768.db2.gz MCSRAYSODKUFHP-SFHVURJKSA-N 2 0 349.544 3.047 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001316704264 1384530518 /nfs/dbraw/zinc/53/05/18/1384530518.db2.gz SOAANOCZMZROPU-AQNXPRMDSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001316805315 1384596875 /nfs/dbraw/zinc/59/68/75/1384596875.db2.gz VQMOWRLSECJROY-SFHVURJKSA-N 2 0 342.487 3.369 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001316986678 1384742401 /nfs/dbraw/zinc/74/24/01/1384742401.db2.gz ROQHXEGGRGGDPS-XCJDPYLSSA-N 2 0 347.547 3.330 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001317025865 1384792745 /nfs/dbraw/zinc/79/27/45/1384792745.db2.gz VYIHGEPZNOYIGF-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317037600 1384809023 /nfs/dbraw/zinc/80/90/23/1384809023.db2.gz WJLLCIKVMGJZJF-UYAOXDASSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317082943 1384846557 /nfs/dbraw/zinc/84/65/57/1384846557.db2.gz NLMPPRGPGMNXKY-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC(C)C)CC[C@H]21 ZINC001317099304 1384862378 /nfs/dbraw/zinc/86/23/78/1384862378.db2.gz AOSNEJXZGHWYGF-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CC3CCC3)CC[C@H]21)CC(C)(C)C ZINC001317105978 1384869474 /nfs/dbraw/zinc/86/94/74/1384869474.db2.gz PKCRICVMHYECBB-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001317133132 1384893480 /nfs/dbraw/zinc/89/34/80/1384893480.db2.gz WQZMBMUVFSCAJE-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001317140783 1384909410 /nfs/dbraw/zinc/90/94/10/1384909410.db2.gz QYBZYKGZAUSHAB-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCC2=CCCCC2)C1 ZINC001317175468 1384947814 /nfs/dbraw/zinc/94/78/14/1384947814.db2.gz CGNMRBZYIJBUPW-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001317195132 1384968971 /nfs/dbraw/zinc/96/89/71/1384968971.db2.gz MAVOTSUQYHKMIJ-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001329074836 1388957080 /nfs/dbraw/zinc/95/70/80/1388957080.db2.gz NRTGHDXWKACVIP-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317208254 1384984343 /nfs/dbraw/zinc/98/43/43/1384984343.db2.gz XRSUAKNRUBPBKC-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001317220605 1385000906 /nfs/dbraw/zinc/00/09/06/1385000906.db2.gz FGPPVORNRHUIJB-UHFFFAOYSA-N 2 0 335.536 3.236 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001317271476 1385041932 /nfs/dbraw/zinc/04/19/32/1385041932.db2.gz NKPDIZZGINWCJH-ROUUACIJSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001317294275 1385066485 /nfs/dbraw/zinc/06/64/85/1385066485.db2.gz KEGBICWHPDEGAH-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317346485 1385096396 /nfs/dbraw/zinc/09/63/96/1385096396.db2.gz VMVVCZCMQKXMDR-RTBURBONSA-N 2 0 345.531 3.143 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001317346103 1385096742 /nfs/dbraw/zinc/09/67/42/1385096742.db2.gz OEEYKOPYSIAHOF-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001317360777 1385104067 /nfs/dbraw/zinc/10/40/67/1385104067.db2.gz ZHQPVVPWWBTFCG-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001317425965 1385131834 /nfs/dbraw/zinc/13/18/34/1385131834.db2.gz CXVLSORSFSIJHG-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCCC1 ZINC001317449112 1385149449 /nfs/dbraw/zinc/14/94/49/1385149449.db2.gz ISWMIMRQSKWPHV-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001317530731 1385255138 /nfs/dbraw/zinc/25/51/38/1385255138.db2.gz ZBKDNOSDQSSSTD-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001317532269 1385258532 /nfs/dbraw/zinc/25/85/32/1385258532.db2.gz ZUFCHZYSRSPPMY-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1)[C@H](C)c1ccccc1 ZINC001317541324 1385278576 /nfs/dbraw/zinc/27/85/76/1385278576.db2.gz UQAXQFSLCNJQCJ-KBAYOESNSA-N 2 0 340.471 3.103 10 0 EGAERP CC1(C)CC(C[N@H+](CCNC(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)C2CC2)C1 ZINC001317553021 1385314429 /nfs/dbraw/zinc/31/44/29/1385314429.db2.gz DRTVTXCJGCNUQN-RBUKOAKNSA-N 2 0 347.547 3.020 10 0 EGAERP O=C(NCC[N@H+](CCC1CCCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001317558300 1385331610 /nfs/dbraw/zinc/33/16/10/1385331610.db2.gz RZUGFBMDHIXHEB-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@H](c1cccc(Cl)c1)[N@H+](CCNC(=O)C[NH+]1CCCC1)C1CC1 ZINC001317562262 1385341237 /nfs/dbraw/zinc/34/12/37/1385341237.db2.gz XCLXSXMRZOPNSR-OAHLLOKOSA-N 2 0 349.906 3.077 10 0 EGAERP CC[C@H]([NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001317596046 1385348632 /nfs/dbraw/zinc/34/86/32/1385348632.db2.gz FVIRLNCFVKZFIK-OALUTQOASA-N 2 0 349.494 3.199 10 0 EGAERP CN(CC[NH2+]CCC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001317603978 1385349941 /nfs/dbraw/zinc/34/99/41/1385349941.db2.gz BMZJEOKZDPQXMF-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]([NH2+]Cc1ccsc1)c1ccccc1)[NH+](C)C ZINC001317724443 1385424528 /nfs/dbraw/zinc/42/45/28/1385424528.db2.gz MHPCBECLYFAYLO-MSOLQXFVSA-N 2 0 345.512 3.035 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001317725331 1385425325 /nfs/dbraw/zinc/42/53/25/1385425325.db2.gz SIHOHXVESRQQJJ-UYAOXDASSA-N 2 0 345.531 3.498 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001317811975 1385512291 /nfs/dbraw/zinc/51/22/91/1385512291.db2.gz SWAPZWRADJVNJN-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](CC(=O)N1CC[C@H](C[N@@H+](C)CC2=CCCCC2)C1)CC(C)(C)C ZINC001317854598 1385538200 /nfs/dbraw/zinc/53/82/00/1385538200.db2.gz QLBZTJTXFCLECR-LJQANCHMSA-N 2 0 349.563 3.245 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317861868 1385545809 /nfs/dbraw/zinc/54/58/09/1385545809.db2.gz FFDIDENLEJXPBG-RLFQVEEXSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001317975431 1385594617 /nfs/dbraw/zinc/59/46/17/1385594617.db2.gz MRIYWRNTXWTHAY-KRWDZBQOSA-N 2 0 342.487 3.417 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317979487 1385597270 /nfs/dbraw/zinc/59/72/70/1385597270.db2.gz LUZOELIGZVOTKA-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001318403421 1385674444 /nfs/dbraw/zinc/67/44/44/1385674444.db2.gz RPRRRRNOKCHKIN-ZWKOTPCHSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001318427171 1385683360 /nfs/dbraw/zinc/68/33/60/1385683360.db2.gz WZWOQZBUVIEQPZ-FXAWDEMLSA-N 2 0 345.531 3.355 10 0 EGAERP C[C@H](F)CC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001318670671 1385829149 /nfs/dbraw/zinc/82/91/49/1385829149.db2.gz LGSVLSLSOVKGQP-INIZCTEOSA-N 2 0 349.494 3.129 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001318672258 1385830180 /nfs/dbraw/zinc/83/01/80/1385830180.db2.gz WONXRJKNDIGKTC-HOTGVXAUSA-N 2 0 349.544 3.140 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001318804726 1385857933 /nfs/dbraw/zinc/85/79/33/1385857933.db2.gz LOTYWPXBQPWKNF-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP O=C([C@@H]1CCC[C@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001318916887 1385881651 /nfs/dbraw/zinc/88/16/51/1385881651.db2.gz HWQKPJCSIKKRTB-PMACEKPBSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001318960001 1385898767 /nfs/dbraw/zinc/89/87/67/1385898767.db2.gz XOTVZJHSVSIRGD-JYJNAYRXSA-N 2 0 346.450 3.021 10 0 EGAERP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC2 ZINC001319142492 1385975841 /nfs/dbraw/zinc/97/58/41/1385975841.db2.gz QRSSDDLQRHMGAG-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001319362497 1386079584 /nfs/dbraw/zinc/07/95/84/1386079584.db2.gz VHJSOJNLYASUHQ-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP CCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319516475 1386157119 /nfs/dbraw/zinc/15/71/19/1386157119.db2.gz XXENYSGIBHJCCK-MJGOQNOKSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1([NH+](C)C)CCC1 ZINC001319621783 1386216503 /nfs/dbraw/zinc/21/65/03/1386216503.db2.gz ZVMKPMLNQAJDQD-SFHVURJKSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCCC(C)(C)C ZINC001319861564 1386340694 /nfs/dbraw/zinc/34/06/94/1386340694.db2.gz QAIZFXODUSOBTI-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001319888324 1386364614 /nfs/dbraw/zinc/36/46/14/1386364614.db2.gz NYFAWHXNWPEAEA-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001320043760 1386472500 /nfs/dbraw/zinc/47/25/00/1386472500.db2.gz YYAQRBMNYFTMGW-QGZVFWFLSA-N 2 0 341.499 3.243 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001320048004 1386474619 /nfs/dbraw/zinc/47/46/19/1386474619.db2.gz MCEXOYGAXXVQCO-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320516403 1386634765 /nfs/dbraw/zinc/63/47/65/1386634765.db2.gz HTDPPHWFETWPOK-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001320547962 1386644813 /nfs/dbraw/zinc/64/48/13/1386644813.db2.gz IDAKCBZTCYSUTH-GOSISDBHSA-N 2 0 347.547 3.266 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCC[NH+]1CCCC1 ZINC001320645153 1386677919 /nfs/dbraw/zinc/67/79/19/1386677919.db2.gz PQMPCDUZGWCVQT-YLJYHZDGSA-N 2 0 343.515 3.034 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001320928109 1386761031 /nfs/dbraw/zinc/76/10/31/1386761031.db2.gz GGHZBCRADHINRR-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001698670197 1406319886 /nfs/dbraw/zinc/31/98/86/1406319886.db2.gz ATBNBEBNXLBSTI-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001321188949 1386835713 /nfs/dbraw/zinc/83/57/13/1386835713.db2.gz KQGGKUPDLNKWSW-RSLBVYTFSA-N 2 0 343.515 3.227 10 0 EGAERP O=C(NC/C=C/C[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321287061 1386867147 /nfs/dbraw/zinc/86/71/47/1386867147.db2.gz RKUODCWYFKLDED-KPDZFXRVSA-N 2 0 347.547 3.236 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C\C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001321394901 1386892952 /nfs/dbraw/zinc/89/29/52/1386892952.db2.gz YYTDBYUVGRPUPP-PQQYHLRESA-N 2 0 349.563 3.053 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)c1ccc(Cl)cc1 ZINC001321757203 1386976288 /nfs/dbraw/zinc/97/62/88/1386976288.db2.gz YDDHMVSDFRAPMR-PBHICJAKSA-N 2 0 339.911 3.226 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698693354 1406337977 /nfs/dbraw/zinc/33/79/77/1406337977.db2.gz CBVHONOQZIXVQJ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](C[N@H+](C)Cc1ccsc1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001322173499 1387087701 /nfs/dbraw/zinc/08/77/01/1387087701.db2.gz AMGYBSIKFSGAKX-MAUKXSAKSA-N 2 0 349.544 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001322280948 1387137079 /nfs/dbraw/zinc/13/70/79/1387137079.db2.gz LLGHPAXAPYJTLG-JXFKEZNVSA-N 2 0 345.531 3.087 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001322307265 1387152059 /nfs/dbraw/zinc/15/20/59/1387152059.db2.gz PPGJRBHIHBTCSU-XBMUEBEBSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001322724678 1387230906 /nfs/dbraw/zinc/23/09/06/1387230906.db2.gz SSGQGKRZDFIGIV-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[NH2+]CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001322843470 1387244937 /nfs/dbraw/zinc/24/49/37/1387244937.db2.gz BXDNWQYFQSTULS-UHFFFAOYSA-N 2 0 333.520 3.236 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001322852431 1387247056 /nfs/dbraw/zinc/24/70/56/1387247056.db2.gz OLQSMQMASDTJJD-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001698709136 1406350814 /nfs/dbraw/zinc/35/08/14/1406350814.db2.gz DBBFPAFFHKJFDT-XIRDDKMYSA-N 2 0 342.487 3.319 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC001329440104 1389111832 /nfs/dbraw/zinc/11/18/32/1389111832.db2.gz GNWZFTGLRPDFED-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001329825160 1389231956 /nfs/dbraw/zinc/23/19/56/1389231956.db2.gz NCZDHUGSEDXOEN-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCCC1 ZINC001329861251 1389239101 /nfs/dbraw/zinc/23/91/01/1389239101.db2.gz PKSNXMSREBCRIW-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001698719866 1406365003 /nfs/dbraw/zinc/36/50/03/1406365003.db2.gz JSLZHUGPVZQIPM-PMACEKPBSA-N 2 0 343.515 3.065 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001329923855 1389261338 /nfs/dbraw/zinc/26/13/38/1389261338.db2.gz PVQFYHMVWLJYGF-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001698725667 1406375013 /nfs/dbraw/zinc/37/50/13/1406375013.db2.gz NKFAPLXIUSVSJS-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@@H]2C1 ZINC001330469305 1389422655 /nfs/dbraw/zinc/42/26/55/1389422655.db2.gz QQEBGGLRRXCRSC-OTWHNJEPSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001331053784 1389611830 /nfs/dbraw/zinc/61/18/30/1389611830.db2.gz MSKWVOULUJWTHP-PKOBYXMFSA-N 2 0 337.552 3.218 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001331517292 1389780091 /nfs/dbraw/zinc/78/00/91/1389780091.db2.gz FTRHEIJPZNRXRM-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001331617080 1389831105 /nfs/dbraw/zinc/83/11/05/1389831105.db2.gz RERGTNBTQMKCPQ-UZLBHIALSA-N 2 0 345.531 3.231 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001332100972 1389983263 /nfs/dbraw/zinc/98/32/63/1389983263.db2.gz QOUGFTAWGFNMKR-PZJWPPBQSA-N 2 0 347.547 3.164 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001332109314 1389987583 /nfs/dbraw/zinc/98/75/83/1389987583.db2.gz FYLSXBWLFZZJQQ-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339608 1390091191 /nfs/dbraw/zinc/09/11/91/1390091191.db2.gz GQVKJWQWDIRTRZ-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)(C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1)[NH+]1CCCC1 ZINC001332405574 1390107962 /nfs/dbraw/zinc/10/79/62/1390107962.db2.gz ULCKTHIWPIQNBX-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1)[NH+](C)C ZINC001332422411 1390112327 /nfs/dbraw/zinc/11/23/27/1390112327.db2.gz HXYBJXCWDDJUQQ-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1 ZINC001332439321 1390118371 /nfs/dbraw/zinc/11/83/71/1390118371.db2.gz UZFCDYXBVJLMAO-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332855414 1390201463 /nfs/dbraw/zinc/20/14/63/1390201463.db2.gz CBLCISUSTASZOJ-ROUUACIJSA-N 2 0 333.520 3.210 10 0 EGAERP Cc1nccn1CC(=O)N[C@H](C[NH2+]CCC1CCCCC1)C(C)(C)C ZINC001332897566 1390211950 /nfs/dbraw/zinc/21/19/50/1390211950.db2.gz CMVSGSYSVUGTQR-GOSISDBHSA-N 2 0 348.535 3.282 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]C/C=C/Cl)NC(=O)CCC[NH+]1CCCCC1 ZINC001332898522 1390212200 /nfs/dbraw/zinc/21/22/00/1390212200.db2.gz IUAZUDYXVKQQSV-XAVKZTDYSA-N 2 0 343.943 3.126 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001332993420 1390232437 /nfs/dbraw/zinc/23/24/37/1390232437.db2.gz VEZPEXSKXGFGES-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001333094333 1390248185 /nfs/dbraw/zinc/24/81/85/1390248185.db2.gz JEIYHPCSOMWBQP-IVMQYODDSA-N 2 0 345.531 3.029 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001333417293 1390299183 /nfs/dbraw/zinc/29/91/83/1390299183.db2.gz NDZGUQLYBSKZIX-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP CCCn1ccnc1CCC[N@H+](C)C[C@@H]1CC[C@H](C(F)(F)F)O1 ZINC001333483142 1390315827 /nfs/dbraw/zinc/31/58/27/1390315827.db2.gz KIUMQLCCVOMAAP-UONOGXRCSA-N 2 0 333.398 3.267 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)cc1 ZINC001348853117 1391275361 /nfs/dbraw/zinc/27/53/61/1391275361.db2.gz RPVXAHIGKARSFL-HAGHYFMRSA-N 2 0 325.431 3.305 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCC2CCCC2)CC[N@@H+]1C ZINC001698828849 1406522414 /nfs/dbraw/zinc/52/24/14/1406522414.db2.gz YJVVEYFMWHRTLJ-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479249159 1392199391 /nfs/dbraw/zinc/19/93/91/1392199391.db2.gz FCJQPHPFCITLQO-HKUYNNGSSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@@H]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001479495602 1392257363 /nfs/dbraw/zinc/25/73/63/1392257363.db2.gz RDIUENXFFGAYHF-CMKODMSKSA-N 2 0 345.531 3.271 10 0 EGAERP CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001479695289 1392325936 /nfs/dbraw/zinc/32/59/36/1392325936.db2.gz VGEDPMBZORGMOD-RTBURBONSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)cc1 ZINC001479716691 1392335370 /nfs/dbraw/zinc/33/53/70/1392335370.db2.gz PBGKATZYNPJNCZ-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001479800791 1392399879 /nfs/dbraw/zinc/39/98/79/1392399879.db2.gz VSMXSSGRQIUOBL-IBGZPJMESA-N 2 0 345.531 3.198 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](CC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001479875195 1392451583 /nfs/dbraw/zinc/45/15/83/1392451583.db2.gz QNYDGLQKALOFJP-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001698859229 1406567914 /nfs/dbraw/zinc/56/79/14/1406567914.db2.gz BQXSCFOHPHOPGK-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001479963500 1392499233 /nfs/dbraw/zinc/49/92/33/1392499233.db2.gz IIFHOXBBNJTTNJ-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480073862 1392563608 /nfs/dbraw/zinc/56/36/08/1392563608.db2.gz XWNWRMAFHLAQFI-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCC1=CCCCC1 ZINC001480333377 1392692537 /nfs/dbraw/zinc/69/25/37/1392692537.db2.gz SEARKJXZOQIEIU-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCCC2)CC1 ZINC001480359100 1392704417 /nfs/dbraw/zinc/70/44/17/1392704417.db2.gz IMWXAMBQAMZWQX-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)C1 ZINC001480361973 1392706093 /nfs/dbraw/zinc/70/60/93/1392706093.db2.gz WXJIZKDBVWBQKN-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001480368391 1392710752 /nfs/dbraw/zinc/71/07/52/1392710752.db2.gz VHCWDIXROMECNN-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001480515132 1392775887 /nfs/dbraw/zinc/77/58/87/1392775887.db2.gz CUCOKLKUYVFKHQ-SFHVURJKSA-N 2 0 345.531 3.081 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001480518510 1392776495 /nfs/dbraw/zinc/77/64/95/1392776495.db2.gz OZCYDXLIOHWAPO-APWZRJJASA-N 2 0 345.531 3.063 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CCCCC1)c1ccccc1 ZINC001480568793 1392795273 /nfs/dbraw/zinc/79/52/73/1392795273.db2.gz ATKFSUIQPJWDIX-PXNSSMCTSA-N 2 0 345.531 3.354 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001480595886 1392811055 /nfs/dbraw/zinc/81/10/55/1392811055.db2.gz FPWATZYENCWKRQ-MOPGFXCFSA-N 2 0 345.531 3.335 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480646115 1392835285 /nfs/dbraw/zinc/83/52/85/1392835285.db2.gz OJXBHMJLZJDXJX-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480729020 1392890948 /nfs/dbraw/zinc/89/09/48/1392890948.db2.gz BZNWLJZBRIMWOA-KJYWSYJISA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001480730533 1392893711 /nfs/dbraw/zinc/89/37/11/1392893711.db2.gz KEGRTEUQLSYAJG-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480827957 1392966191 /nfs/dbraw/zinc/96/61/91/1392966191.db2.gz JBYHQTLXFJZNTI-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001698878707 1406605728 /nfs/dbraw/zinc/60/57/28/1406605728.db2.gz CDGJZZLFAZTPRR-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H](C)c1cc(C)ccc1C ZINC001481019344 1393095700 /nfs/dbraw/zinc/09/57/00/1393095700.db2.gz PSFXKVDNYBPFBI-SFHVURJKSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001481327303 1393164384 /nfs/dbraw/zinc/16/43/84/1393164384.db2.gz FAOPPELLJUASKY-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CC(C)(C)C1 ZINC001481353982 1393175484 /nfs/dbraw/zinc/17/54/84/1393175484.db2.gz UNFKWXUTMNGRLE-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001698896290 1406629040 /nfs/dbraw/zinc/62/90/40/1406629040.db2.gz YJUKGLKITBOTNM-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC1CC(C[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C2CC2)C1 ZINC001490683830 1394294361 /nfs/dbraw/zinc/29/43/61/1394294361.db2.gz TYOLJTOWGJNUQM-LADRWXRNSA-N 2 0 349.563 3.170 10 0 EGAERP CC1CCC(C[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C2CC2)CC1 ZINC001490694302 1394297705 /nfs/dbraw/zinc/29/77/05/1394297705.db2.gz OWFUBUHXIAULPD-TVPLGVNVSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001490764390 1394326208 /nfs/dbraw/zinc/32/62/08/1394326208.db2.gz VMZBCYBSISZUEL-HMECNJMJSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1)[NH+](C)C ZINC001490947915 1394382063 /nfs/dbraw/zinc/38/20/63/1394382063.db2.gz DCDXANBLAFNTKA-VAMGGRTRSA-N 2 0 343.515 3.031 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001491112294 1394433188 /nfs/dbraw/zinc/43/31/88/1394433188.db2.gz VXHWHSYISGCPRV-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NCC1C[NH+](CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001481668986 1394438489 /nfs/dbraw/zinc/43/84/89/1394438489.db2.gz BDWVJDXPYPJYEV-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001491119976 1394438716 /nfs/dbraw/zinc/43/87/16/1394438716.db2.gz KHVMDCZSQWZLOP-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001491125638 1394442462 /nfs/dbraw/zinc/44/24/62/1394442462.db2.gz NIATXXKNXDHFMU-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2C[C@H]1C[NH+]2CC1CCCCC1 ZINC001481679836 1394444884 /nfs/dbraw/zinc/44/48/84/1394444884.db2.gz NNACPBBFUDGMPI-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709915 1394469178 /nfs/dbraw/zinc/46/91/78/1394469178.db2.gz XMZZIQCQZPBNLP-MGBKSAOESA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001491206584 1394471266 /nfs/dbraw/zinc/47/12/66/1394471266.db2.gz OYJQMBJCTDYPQA-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491218699 1394477028 /nfs/dbraw/zinc/47/70/28/1394477028.db2.gz JBDMAPFKVGGOJU-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCC2)C1 ZINC001491222570 1394480252 /nfs/dbraw/zinc/48/02/52/1394480252.db2.gz RLZMDEUMIQPZNP-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCC2)C1 ZINC001491222575 1394480279 /nfs/dbraw/zinc/48/02/79/1394480279.db2.gz RLZMDEUMIQPZNP-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001481744068 1394490199 /nfs/dbraw/zinc/49/01/99/1394490199.db2.gz JRURWBPKCVVTBH-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001481747828 1394492435 /nfs/dbraw/zinc/49/24/35/1394492435.db2.gz TYEJYAWEFFEVGX-UXHICEINSA-N 2 0 345.531 3.183 10 0 EGAERP CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccsc1 ZINC001481880195 1394574675 /nfs/dbraw/zinc/57/46/75/1394574675.db2.gz CLUIUGAHACLAIZ-GOSISDBHSA-N 2 0 345.512 3.108 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@H](C)c1ccccc1Cl ZINC001481880543 1394574728 /nfs/dbraw/zinc/57/47/28/1394574728.db2.gz GMEKTWGEYJHHKG-CABCVRRESA-N 2 0 339.911 3.226 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCC1CCCC1)NC(=O)C[NH+]1CCCC1 ZINC001481964608 1394626720 /nfs/dbraw/zinc/62/67/20/1394626720.db2.gz SNMBANVGGIHBMR-WIYYLYMNSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001482071904 1394735473 /nfs/dbraw/zinc/73/54/73/1394735473.db2.gz MJILZPLEFAMUOC-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001482319266 1394889843 /nfs/dbraw/zinc/88/98/43/1394889843.db2.gz ZQTBJSFFHNDRQT-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cccc(C)c2)C1 ZINC001482322522 1394893365 /nfs/dbraw/zinc/89/33/65/1394893365.db2.gz BABULNTUKBPDKH-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001482383905 1394944452 /nfs/dbraw/zinc/94/44/52/1394944452.db2.gz FKCZVNNKYLRHIW-BHIYHBOVSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCCC2)c1 ZINC001482409114 1394973725 /nfs/dbraw/zinc/97/37/25/1394973725.db2.gz JOJFJPAKBSXEHP-HXUWFJFHSA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482450201 1395009163 /nfs/dbraw/zinc/00/91/63/1395009163.db2.gz UGVKPSDZNOVAMP-MOPGFXCFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@H](C)C1 ZINC001483916976 1395143998 /nfs/dbraw/zinc/14/39/98/1395143998.db2.gz GMALXQMFBNATOG-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H]2C[NH2+]CCCC2CCCC2)CCC1 ZINC001483933186 1395150584 /nfs/dbraw/zinc/15/05/84/1395150584.db2.gz FPOGIJBGMXOUHX-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483942788 1395154902 /nfs/dbraw/zinc/15/49/02/1395154902.db2.gz QPNTXHDTWKZAJY-OXPKLIQGSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001698976131 1406746020 /nfs/dbraw/zinc/74/60/20/1406746020.db2.gz CEUHUBNOBYMJKQ-FQEVSTJZSA-N 2 0 345.531 3.136 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484102168 1395251030 /nfs/dbraw/zinc/25/10/30/1395251030.db2.gz WRYBTLQNAIIRPE-FOIQADDNSA-N 2 0 342.487 3.131 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001484115327 1395259503 /nfs/dbraw/zinc/25/95/03/1395259503.db2.gz RXBQXCMZMMTZQY-IZRJCCQOSA-N 2 0 349.563 3.293 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484145635 1395281644 /nfs/dbraw/zinc/28/16/44/1395281644.db2.gz XYRSVLGDKWXVMS-OVKVCFKUSA-N 2 0 349.563 3.293 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001484165965 1395304756 /nfs/dbraw/zinc/30/47/56/1395304756.db2.gz FDTPWCPGTOJKST-CFPAGDMOSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+](C)C)C2 ZINC001484390141 1395359511 /nfs/dbraw/zinc/35/95/11/1395359511.db2.gz ILADFOPMQMBIDK-REPLKXPHSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001484828005 1395566080 /nfs/dbraw/zinc/56/60/80/1395566080.db2.gz ZLSMSSGTVXVPIZ-FPOVZHCZSA-N 2 0 349.563 3.366 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1 ZINC001484927503 1395594608 /nfs/dbraw/zinc/59/46/08/1395594608.db2.gz UTKNFOQSAUEMKQ-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C2)c1 ZINC001484938056 1395596434 /nfs/dbraw/zinc/59/64/34/1395596434.db2.gz UIQMUHFSWOGDOI-IEBWSBKVSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484983929 1395625219 /nfs/dbraw/zinc/62/52/19/1395625219.db2.gz ROGXBLMSVTZXPN-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001485030909 1395646096 /nfs/dbraw/zinc/64/60/96/1395646096.db2.gz MUBKVOGCGOWMJA-UHFFFAOYSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001485082153 1395651615 /nfs/dbraw/zinc/65/16/15/1395651615.db2.gz MLXGTZPQNHOEIZ-XOUUWWQPSA-N 2 0 349.563 3.245 10 0 EGAERP CCC/C=C\CC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001485095054 1395657759 /nfs/dbraw/zinc/65/77/59/1395657759.db2.gz XKHQSMSUVOJCMY-PLNGDYQASA-N 2 0 347.547 3.093 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304370 1395782623 /nfs/dbraw/zinc/78/26/23/1395782623.db2.gz VTKMIPOKIXINDA-YSKLNCTFSA-N 2 0 349.563 3.434 10 0 EGAERP CC1CCC(C[N@H+](C)CCN(C)C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001698996926 1406796814 /nfs/dbraw/zinc/79/68/14/1406796814.db2.gz PMBYOOVUFKVSBO-UHFFFAOYSA-N 2 0 339.568 3.181 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2C[N@H+](CCCC(C)(C)C)CC2(C)C)CCC1 ZINC001485570665 1396036573 /nfs/dbraw/zinc/03/65/73/1396036573.db2.gz FUNPLQVCBUYOQG-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC001485587377 1396063763 /nfs/dbraw/zinc/06/37/63/1396063763.db2.gz UXHMVAIGYNDFDI-LJQANCHMSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485722484 1396118084 /nfs/dbraw/zinc/11/80/84/1396118084.db2.gz KWFSVVXOLASOCO-ADKAHSJRSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001485768405 1396146661 /nfs/dbraw/zinc/14/66/61/1396146661.db2.gz NJUHKYAFODZJHS-HXUWFJFHSA-N 2 0 345.531 3.135 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001485815263 1396157473 /nfs/dbraw/zinc/15/74/73/1396157473.db2.gz XWPLLVCKAURLRQ-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001485961064 1396174164 /nfs/dbraw/zinc/17/41/64/1396174164.db2.gz QAAMXKHCJGXBJO-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001501393350 1396193824 /nfs/dbraw/zinc/19/38/24/1396193824.db2.gz AFFKKHXTNQNTGZ-MOPGFXCFSA-N 2 0 335.536 3.116 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001491958544 1396300710 /nfs/dbraw/zinc/30/07/10/1396300710.db2.gz DTJFTQAGFFRLTF-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H](C[NH+](C)CCCC3CCCC3)C2)C1 ZINC001494159171 1396389618 /nfs/dbraw/zinc/38/96/18/1396389618.db2.gz IEADSCHZVDQCPU-AZUAARDMSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001699004007 1406821832 /nfs/dbraw/zinc/82/18/32/1406821832.db2.gz KROCMVCQLQEGNH-OALUTQOASA-N 2 0 345.531 3.066 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001494576913 1396475147 /nfs/dbraw/zinc/47/51/47/1396475147.db2.gz KINLYWFFEMCGMK-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH+]1CC(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001494584624 1396477068 /nfs/dbraw/zinc/47/70/68/1396477068.db2.gz UCIBMAKSCRVOME-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001495168302 1396521873 /nfs/dbraw/zinc/52/18/73/1396521873.db2.gz XHUFIGGALVJKDV-LJQANCHMSA-N 2 0 349.563 3.460 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C[NH2+]CCC2CCCC2)CCCC1 ZINC001495168298 1396521958 /nfs/dbraw/zinc/52/19/58/1396521958.db2.gz XHUFIGGALVJKDV-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP O=C(N1CCCC[C@H]1CC[NH2+]CCCC1CCC1)C12CC[NH+](CC1)C2 ZINC001496414411 1396698414 /nfs/dbraw/zinc/69/84/14/1396698414.db2.gz MKMDSZMTAWQAOG-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001497407811 1396756663 /nfs/dbraw/zinc/75/66/63/1396756663.db2.gz ONVCGTNCTZFTBJ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCCC(C)(C)C ZINC001689052213 1396847237 /nfs/dbraw/zinc/84/72/37/1396847237.db2.gz JZTZDKWTRGPUPR-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001689056517 1396857666 /nfs/dbraw/zinc/85/76/66/1396857666.db2.gz VFSQIUKAOGKQQJ-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001689091852 1396897025 /nfs/dbraw/zinc/89/70/25/1396897025.db2.gz TXSOEMUIICWYMH-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCC1 ZINC001497992913 1396906637 /nfs/dbraw/zinc/90/66/37/1396906637.db2.gz ITBHBIOXVYBJLG-MSOLQXFVSA-N 2 0 339.568 3.418 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001689146615 1396947509 /nfs/dbraw/zinc/94/75/09/1396947509.db2.gz LTGDOVKNYYMMQI-BHIYHBOVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001689172185 1396958199 /nfs/dbraw/zinc/95/81/99/1396958199.db2.gz BCIWNSYWEYJSIK-OTWHNJEPSA-N 2 0 337.552 3.409 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001689267074 1396998603 /nfs/dbraw/zinc/99/86/03/1396998603.db2.gz DENPQKFKDDQVGZ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001689270056 1397000792 /nfs/dbraw/zinc/00/07/92/1397000792.db2.gz GVXLXKUSLRKQAP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1ccccc1)[NH+]1CCCCC1 ZINC001498455775 1397002676 /nfs/dbraw/zinc/00/26/76/1397002676.db2.gz KJLQCJRFAQTBAP-ICSRJNTNSA-N 2 0 345.531 3.134 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001689271406 1397005569 /nfs/dbraw/zinc/00/55/69/1397005569.db2.gz IXYVNPLZCTZRNQ-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001689272013 1397008984 /nfs/dbraw/zinc/00/89/84/1397008984.db2.gz VLOOTSSOVRAJMT-HXUWFJFHSA-N 2 0 345.531 3.279 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498492839 1397036649 /nfs/dbraw/zinc/03/66/49/1397036649.db2.gz UZLDUGUQCQBZPR-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)[C@@H](C)c1ccccc1 ZINC001689353667 1403685942 /nfs/dbraw/zinc/68/59/42/1403685942.db2.gz JVMFCYBBWSBEQT-ICSRJNTNSA-N 2 0 345.531 3.402 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCCC1 ZINC001689807468 1404147260 /nfs/dbraw/zinc/14/72/60/1404147260.db2.gz WLLDGGOMNDVNFE-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001689807786 1404148315 /nfs/dbraw/zinc/14/83/15/1404148315.db2.gz IAUKCPFRQBBZLV-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)(C)CC[NH+]1CCC2(C[C@@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001690130810 1404325427 /nfs/dbraw/zinc/32/54/27/1404325427.db2.gz JWJPRKQLTCTHIG-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)C[N@H+](C)CCC)C1CC[NH+](CC2CCCC2)CC1 ZINC001690138637 1404336880 /nfs/dbraw/zinc/33/68/80/1404336880.db2.gz KMYFREXVMOPHIG-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+](C)CCc1ccccc1C(=O)N[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001690349893 1404487907 /nfs/dbraw/zinc/48/79/07/1404487907.db2.gz PJICXPOUVMWDDW-HDICACEKSA-N 2 0 345.531 3.077 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001690368472 1404500445 /nfs/dbraw/zinc/50/04/45/1404500445.db2.gz ZDXOGQRQXSPJAA-KDURUIRLSA-N 2 0 331.504 3.035 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690504621 1404617242 /nfs/dbraw/zinc/61/72/42/1404617242.db2.gz GFZYZBGBOSXSHJ-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001690505366 1404617661 /nfs/dbraw/zinc/61/76/61/1404617661.db2.gz QXEGOVZWVYXCNK-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CC(CC)CC)CC1 ZINC001690534287 1404624679 /nfs/dbraw/zinc/62/46/79/1404624679.db2.gz POIATDITDFXRIO-CTWPCTMYSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](F)CC[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001690546156 1404628906 /nfs/dbraw/zinc/62/89/06/1404628906.db2.gz KTVLCOUWNNLWQS-AOCRQIFASA-N 2 0 341.515 3.018 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001690635278 1404667170 /nfs/dbraw/zinc/66/71/70/1404667170.db2.gz KMEHKJRCUMVQRL-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001690752098 1404709164 /nfs/dbraw/zinc/70/91/64/1404709164.db2.gz YHGKJPQHELNWLQ-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC1(C)CC(C[NH2+][C@@H]2CCC[C@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690787408 1404733588 /nfs/dbraw/zinc/73/35/88/1404733588.db2.gz IIUARCJKCPNJPT-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCC1 ZINC001690850203 1404776671 /nfs/dbraw/zinc/77/66/71/1404776671.db2.gz TUJXSKQXTGIUPT-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCCC2)C1 ZINC001690917713 1404828245 /nfs/dbraw/zinc/82/82/45/1404828245.db2.gz PJLPIYRKHJYGAN-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCCC2)C1 ZINC001690917714 1404828305 /nfs/dbraw/zinc/82/83/05/1404828305.db2.gz PJLPIYRKHJYGAN-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCC[NH+]1CC1CCC2(CC2)CC1)C1CCC1 ZINC001691082969 1405017139 /nfs/dbraw/zinc/01/71/39/1405017139.db2.gz PHBCWFPHYFUIJB-IBGZPJMESA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691102497 1405041254 /nfs/dbraw/zinc/04/12/54/1405041254.db2.gz IVZIZSKKFNSIPN-XJDXJNMNSA-N 2 0 343.515 3.299 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691172908 1405109044 /nfs/dbraw/zinc/10/90/44/1405109044.db2.gz VWHWAVAHPQWFTG-IHPCNDPISA-N 2 0 347.547 3.236 10 0 EGAERP CCC(CC)C[N@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001725730730 1426400153 /nfs/dbraw/zinc/40/01/53/1426400153.db2.gz JPRNECJKLDIMCE-SFHVURJKSA-N 2 0 325.541 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001725774869 1426458615 /nfs/dbraw/zinc/45/86/15/1426458615.db2.gz GAUOUZAUZMTTTK-KRWDZBQOSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394660 1405231696 /nfs/dbraw/zinc/23/16/96/1405231696.db2.gz BYOVUFZQMZYONK-RBUKOAKNSA-N 2 0 345.531 3.239 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCCC1)[NH+](C)C ZINC001691410875 1405249505 /nfs/dbraw/zinc/24/95/05/1405249505.db2.gz VBJYRXSTRIIWKF-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691500977 1405306204 /nfs/dbraw/zinc/30/62/04/1405306204.db2.gz ARHYHBJPGXWBGT-KZNAEPCWSA-N 2 0 337.552 3.170 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001691632961 1405369810 /nfs/dbraw/zinc/36/98/10/1405369810.db2.gz UCJGNDBGACBARC-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001691655747 1405389326 /nfs/dbraw/zinc/38/93/26/1405389326.db2.gz FASDUNYRTNXBME-WZOJCFFYSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001691681584 1405416475 /nfs/dbraw/zinc/41/64/75/1405416475.db2.gz BFYUYEIHNZAANY-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001691734445 1405456718 /nfs/dbraw/zinc/45/67/18/1405456718.db2.gz JANGZTFECSKZKW-KDURUIRLSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)CC(C)(C)C ZINC001691794159 1405504559 /nfs/dbraw/zinc/50/45/59/1405504559.db2.gz RQARYHSPMHRHJK-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCC2)C1 ZINC001691794835 1405506493 /nfs/dbraw/zinc/50/64/93/1405506493.db2.gz PXAGZPTXESKNIE-IYARVYRRSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001691805385 1405517819 /nfs/dbraw/zinc/51/78/19/1405517819.db2.gz JDCFCDLCSGZZBD-UXHICEINSA-N 2 0 345.531 3.354 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001691823228 1405539118 /nfs/dbraw/zinc/53/91/18/1405539118.db2.gz LDUVPFDXNLIWJI-GIFJBRJJSA-N 2 0 337.552 3.290 10 0 EGAERP CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691882301 1405604882 /nfs/dbraw/zinc/60/48/82/1405604882.db2.gz JPIZXSIBIQZXSN-NLWGTHIKSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1)[NH+](C)C ZINC001691885921 1405608924 /nfs/dbraw/zinc/60/89/24/1405608924.db2.gz SKPXIUQCXXDSLA-OTWHNJEPSA-N 2 0 337.552 3.027 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898494 1405620664 /nfs/dbraw/zinc/62/06/64/1405620664.db2.gz QNKJIGNKPAWUKK-PHWHVTFISA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001691959873 1405676921 /nfs/dbraw/zinc/67/69/21/1405676921.db2.gz FZGSXEUIGXQOSS-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001691969003 1405684906 /nfs/dbraw/zinc/68/49/06/1405684906.db2.gz SNJHISFIAOPQPW-ZBWOGFRMSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731760201 1427863652 /nfs/dbraw/zinc/86/36/52/1427863652.db2.gz XICVCDAOAITUBW-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001692260450 1405889577 /nfs/dbraw/zinc/88/95/77/1405889577.db2.gz CKDZLIBNMUZHTM-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001731857025 1428091966 /nfs/dbraw/zinc/09/19/66/1428091966.db2.gz JBUVGNOIRARERB-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001692274172 1405906562 /nfs/dbraw/zinc/90/65/62/1405906562.db2.gz BEDFMIGGTGDCRE-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568873 1406172717 /nfs/dbraw/zinc/17/27/17/1406172717.db2.gz GWCPVROLXFOMDA-PMACEKPBSA-N 2 0 345.531 3.148 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001698581902 1406193977 /nfs/dbraw/zinc/19/39/77/1406193977.db2.gz PBGVWCLFFYPWLH-ILLWUZKMSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001698600707 1406225859 /nfs/dbraw/zinc/22/58/59/1406225859.db2.gz MJGFIRUWTNOEBZ-HSALFYBXSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001732022833 1428240388 /nfs/dbraw/zinc/24/03/88/1428240388.db2.gz LVRHTSFOLIIDDT-RLLQIKCJSA-N 2 0 345.531 3.210 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732041729 1428271309 /nfs/dbraw/zinc/27/13/09/1428271309.db2.gz LLWHXXAIJJYJNH-SFHVURJKSA-N 2 0 339.568 3.466 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001732058203 1428302872 /nfs/dbraw/zinc/30/28/72/1428302872.db2.gz ABWNFJWOJJESPM-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732070534 1428319294 /nfs/dbraw/zinc/31/92/94/1428319294.db2.gz HTTFUCZIJJYZEN-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001732174888 1428420565 /nfs/dbraw/zinc/42/05/65/1428420565.db2.gz DGWSUOZICDYQAZ-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732185940 1428435269 /nfs/dbraw/zinc/43/52/69/1428435269.db2.gz JOPUVVHRXVHGTD-LPADLIQXSA-N 2 0 337.552 3.243 10 0 EGAERP CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001732224534 1428473135 /nfs/dbraw/zinc/47/31/35/1428473135.db2.gz TWNXRSKKEPXUBC-IBGZPJMESA-N 2 0 345.531 3.282 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001732230883 1428477781 /nfs/dbraw/zinc/47/77/81/1428477781.db2.gz MCWTZFNYHUFPNO-ROUUACIJSA-N 2 0 335.536 3.212 10 0 EGAERP Cc1ccc(C[NH2+]C[C@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)cc1 ZINC001732260821 1428501283 /nfs/dbraw/zinc/50/12/83/1428501283.db2.gz XNONONWYSTXSCA-WIYYLYMNSA-N 2 0 345.531 3.101 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)CC[N@@H+]1C ZINC001732307398 1428522389 /nfs/dbraw/zinc/52/23/89/1428522389.db2.gz AOGPMNIAYIMWHR-VBSBHUPXSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001732308474 1428522876 /nfs/dbraw/zinc/52/28/76/1428522876.db2.gz YZMBSIKDLWNFHY-ANSOXZBUSA-N 2 0 335.536 3.090 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001732351969 1428544730 /nfs/dbraw/zinc/54/47/30/1428544730.db2.gz XIYOTUBEVMCBPL-OAHLLOKOSA-N 2 0 342.487 3.179 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001732399890 1428566008 /nfs/dbraw/zinc/56/60/08/1428566008.db2.gz IZCBXOBNSMNRJV-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001732400273 1428566314 /nfs/dbraw/zinc/56/63/14/1428566314.db2.gz YMVNKQRKCYKQQW-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732423890 1428575270 /nfs/dbraw/zinc/57/52/70/1428575270.db2.gz APTVQNSSRGZNJT-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001732427196 1428576631 /nfs/dbraw/zinc/57/66/31/1428576631.db2.gz GXKGDCHCZZAUOL-HKUYNNGSSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433326 1428578783 /nfs/dbraw/zinc/57/87/83/1428578783.db2.gz LRPITSDVRYVAAE-ADKAHSJRSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@H](C[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732467422 1428597128 /nfs/dbraw/zinc/59/71/28/1428597128.db2.gz XJHKXSAEEXUMHH-LJQANCHMSA-N 2 0 345.531 3.182 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001732468071 1428597267 /nfs/dbraw/zinc/59/72/67/1428597267.db2.gz HONGJNRJZFIMNQ-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]([NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001732515644 1428634509 /nfs/dbraw/zinc/63/45/09/1428634509.db2.gz SSIYBFXXEBBTQB-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)CC(C)(C)C ZINC001732516477 1428635874 /nfs/dbraw/zinc/63/58/74/1428635874.db2.gz YRKVNPGBFPQPHZ-GOSISDBHSA-N 2 0 337.552 3.291 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001732533164 1428653864 /nfs/dbraw/zinc/65/38/64/1428653864.db2.gz RYVSBEVJLVJUAI-WEPWYQGCSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068366 1412493741 /nfs/dbraw/zinc/49/37/41/1412493741.db2.gz XPNLAZSTRMVUDS-OALUTQOASA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699105098 1412512524 /nfs/dbraw/zinc/51/25/24/1412512524.db2.gz BPEANODUIUOQJW-WMZOPIPTSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)c1cccc(Cl)c1 ZINC001699268267 1412606028 /nfs/dbraw/zinc/60/60/28/1412606028.db2.gz VLSBULBAHWKXHE-ABCZVMIZSA-N 2 0 349.906 3.147 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C\C[NH2+]CCC(C)(C)C)c1 ZINC001699345581 1412654899 /nfs/dbraw/zinc/65/48/99/1412654899.db2.gz PTKQKXCFUOPWII-SREVYHEPSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1cccc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001699390950 1412705066 /nfs/dbraw/zinc/70/50/66/1412705066.db2.gz MSMBTRFAVXPWMO-IAGOWNOFSA-N 2 0 339.483 3.091 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)C[C@H](C)NC(=O)[C@@H]2CCC[NH+]2C(C)C)c1 ZINC001699442894 1412773017 /nfs/dbraw/zinc/77/30/17/1412773017.db2.gz QZBVDKVQWRCXGL-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575700 1412932352 /nfs/dbraw/zinc/93/23/52/1412932352.db2.gz IBRVURQKJYTRNW-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCCC1 ZINC001699622316 1412986258 /nfs/dbraw/zinc/98/62/58/1412986258.db2.gz QMFPVYYONUBXAN-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001699682804 1413077076 /nfs/dbraw/zinc/07/70/76/1413077076.db2.gz SKBAIFFKWPTGGS-OTWHNJEPSA-N 2 0 337.552 3.074 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001699704586 1413119375 /nfs/dbraw/zinc/11/93/75/1413119375.db2.gz HWQFNSUCIGRFTN-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C)C2 ZINC001699804698 1413216903 /nfs/dbraw/zinc/21/69/03/1413216903.db2.gz DEWASMHKROTIRX-IZRJCCQOSA-N 2 0 349.563 3.389 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699984219 1413430658 /nfs/dbraw/zinc/43/06/58/1413430658.db2.gz ABOFSBXCTVCKOS-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[NH+]1CCCCC1 ZINC001700017750 1413464047 /nfs/dbraw/zinc/46/40/47/1413464047.db2.gz SEADEUKDLOLEBM-FPMVPNIMSA-N 2 0 347.547 3.284 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)C)CC1 ZINC001700103860 1413522199 /nfs/dbraw/zinc/52/21/99/1413522199.db2.gz QUUOPEMEFUQAQG-FHWLQOOXSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001700105843 1413524686 /nfs/dbraw/zinc/52/46/86/1413524686.db2.gz MVNXVLYMFKZJAS-UEKDZROGSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CCC(C)CC3)CCC2)CC[N@@H+]1C ZINC001700133110 1413549549 /nfs/dbraw/zinc/54/95/49/1413549549.db2.gz OLZNTPLFTRRPON-WZOJCFFYSA-N 2 0 349.563 3.172 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCC2)CCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001700139367 1413558444 /nfs/dbraw/zinc/55/84/44/1413558444.db2.gz ZBYPLFYVZCMAJP-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)C[NH+](C)CC(C)(C)C ZINC001700191737 1413622069 /nfs/dbraw/zinc/62/20/69/1413622069.db2.gz HMWUJEPMBUKPMQ-UHFFFAOYSA-N 2 0 327.557 3.181 10 0 EGAERP CCC1([NH2+]C[C@H](C)CC(C)C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001700224944 1413676183 /nfs/dbraw/zinc/67/61/83/1413676183.db2.gz ORBXLKYMGQFIIA-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001700230223 1413689148 /nfs/dbraw/zinc/68/91/48/1413689148.db2.gz PTFSQDUMZCLION-FPOVZHCZSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001700264782 1413711500 /nfs/dbraw/zinc/71/15/00/1413711500.db2.gz ZXOVHHJZEOLQDY-AEFFLSMTSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001700280422 1413725524 /nfs/dbraw/zinc/72/55/24/1413725524.db2.gz KKYGZPOEXPKJEA-VXOKQSJXSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]C[C@H](C)CC)CC2)C1 ZINC001700282548 1413728305 /nfs/dbraw/zinc/72/83/05/1413728305.db2.gz TZCPOPFSTCQQDC-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566287 1428758588 /nfs/dbraw/zinc/75/85/88/1428758588.db2.gz LRVBMHDIBCJIBW-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001700462542 1414063729 /nfs/dbraw/zinc/06/37/29/1414063729.db2.gz WSQJFRDATNBUTB-IBMJZYDUSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700463765 1414067630 /nfs/dbraw/zinc/06/76/30/1414067630.db2.gz MJVLEVAXTTXDSZ-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001700465117 1414070157 /nfs/dbraw/zinc/07/01/57/1414070157.db2.gz ZXQZTIWHSVTUGE-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C[NH+]2CCCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001700532067 1414199024 /nfs/dbraw/zinc/19/90/24/1414199024.db2.gz SOWWJNNFQIKSEN-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001700548829 1414218313 /nfs/dbraw/zinc/21/83/13/1414218313.db2.gz DLEQKALVHGKEAD-JKLVOYIESA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[N@H+](CC3CCCCCC3)CC2(C)C)CCC1 ZINC001700566167 1414233749 /nfs/dbraw/zinc/23/37/49/1414233749.db2.gz BOEHGZHMUAXMNU-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700566730 1414234748 /nfs/dbraw/zinc/23/47/48/1414234748.db2.gz FIGUWRNYNQCRMV-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700574042 1414246765 /nfs/dbraw/zinc/24/67/65/1414246765.db2.gz JAPBYJYRDSCTSH-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001732585240 1428796956 /nfs/dbraw/zinc/79/69/56/1428796956.db2.gz YALBXDFUTCZBOW-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001700693366 1414346398 /nfs/dbraw/zinc/34/63/98/1414346398.db2.gz IASIWVPWBQNBIG-MOPGFXCFSA-N 2 0 349.563 3.362 10 0 EGAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001700732754 1414397383 /nfs/dbraw/zinc/39/73/83/1414397383.db2.gz QGOSXLWEHGHNGB-UYAOXDASSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001700753798 1414424411 /nfs/dbraw/zinc/42/44/11/1414424411.db2.gz YQSAGXIJPXQFDI-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1c(C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001700758276 1414430336 /nfs/dbraw/zinc/43/03/36/1414430336.db2.gz ABILJTDCOPAUMG-HNNXBMFYSA-N 2 0 330.476 3.129 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H]1C ZINC001700826047 1414481559 /nfs/dbraw/zinc/48/15/59/1414481559.db2.gz JHCLIPOVSNJNEY-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001700851469 1414499225 /nfs/dbraw/zinc/49/92/25/1414499225.db2.gz MOSHFTCOMXCHCG-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001700851471 1414499228 /nfs/dbraw/zinc/49/92/28/1414499228.db2.gz MOSHFTCOMXCHCG-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1F ZINC001700890829 1414549712 /nfs/dbraw/zinc/54/97/12/1414549712.db2.gz XBABIWHCRKVDET-QFBILLFUSA-N 2 0 349.494 3.027 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)cc1 ZINC001700906025 1414560618 /nfs/dbraw/zinc/56/06/18/1414560618.db2.gz IKZJFTNOEYVXJV-UYAOXDASSA-N 2 0 343.515 3.036 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001700986138 1414628214 /nfs/dbraw/zinc/62/82/14/1414628214.db2.gz ADGCVPMJCYLCJV-DLBZAZTESA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CCC1 ZINC001700986719 1414628525 /nfs/dbraw/zinc/62/85/25/1414628525.db2.gz BUGMFXRDYCOCOA-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001701007205 1414663964 /nfs/dbraw/zinc/66/39/64/1414663964.db2.gz HNKRBLGVSOQYHN-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001701020357 1414680536 /nfs/dbraw/zinc/68/05/36/1414680536.db2.gz HIQJNACCWKNMDI-HJOIGYKYSA-N 2 0 337.552 3.265 10 0 EGAERP C[C@H](c1ccccc1Cl)[N@H+]1CC=C(CNC(=O)CC[NH+](C)C)CC1 ZINC001701056800 1414713019 /nfs/dbraw/zinc/71/30/19/1414713019.db2.gz TXEVNRRGSTZNML-OAHLLOKOSA-N 2 0 349.906 3.101 10 0 EGAERP C[C@H](CC[NH2+]CCC1=CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732705696 1428918778 /nfs/dbraw/zinc/91/87/78/1428918778.db2.gz GLNGFQUJQSXOMS-GOSISDBHSA-N 2 0 347.547 3.237 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001732774186 1428961849 /nfs/dbraw/zinc/96/18/49/1428961849.db2.gz SCXDSGVUMXKUOP-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC(CC)C[NH2+]CCN(CC)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732798415 1428978752 /nfs/dbraw/zinc/97/87/52/1428978752.db2.gz VFVTVUROCNSWQX-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732969755 1429095154 /nfs/dbraw/zinc/09/51/54/1429095154.db2.gz XYIHGIPKILHXLX-APWZRJJASA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H]([NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001733007830 1429127880 /nfs/dbraw/zinc/12/78/80/1429127880.db2.gz PWQQRRSXQWHBAY-YJBOKZPZSA-N 2 0 349.494 3.246 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733006465 1429126832 /nfs/dbraw/zinc/12/68/32/1429126832.db2.gz DUWQVFQVVGYWBA-INIZCTEOSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCC2CCCC2)CC1 ZINC001733017874 1429137118 /nfs/dbraw/zinc/13/71/18/1429137118.db2.gz JLFLMDAVQARIKG-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001707110890 1417205498 /nfs/dbraw/zinc/20/54/98/1417205498.db2.gz MTINDWMHBLASGD-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@@H]2C1 ZINC001707220249 1417250060 /nfs/dbraw/zinc/25/00/60/1417250060.db2.gz VDKQLUUPQJGIDM-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001707233288 1417254650 /nfs/dbraw/zinc/25/46/50/1417254650.db2.gz HZGQRSYJDIXRAU-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001707233709 1417254986 /nfs/dbraw/zinc/25/49/86/1417254986.db2.gz JFDJHINXFQGTTF-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707249015 1417265783 /nfs/dbraw/zinc/26/57/83/1417265783.db2.gz VKPYEQJZGPDHPH-NYQZOWANSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001707265129 1417273236 /nfs/dbraw/zinc/27/32/36/1417273236.db2.gz WNCYNLZKLDVUNC-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC001707399150 1417314135 /nfs/dbraw/zinc/31/41/35/1417314135.db2.gz CCAWGBOIPYMNRH-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001707401411 1417314935 /nfs/dbraw/zinc/31/49/35/1417314935.db2.gz VAXPDIYYPIDYEN-BQFCYCMXSA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001712990566 1417542030 /nfs/dbraw/zinc/54/20/30/1417542030.db2.gz DICYKGACIYVUAP-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1cccc(C)c1 ZINC001713022198 1417574654 /nfs/dbraw/zinc/57/46/54/1417574654.db2.gz XJWDWWKIBXFLCU-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713094518 1417642420 /nfs/dbraw/zinc/64/24/20/1417642420.db2.gz HVGUEJQTJBRIEQ-WYNBNGFRSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121512 1417687504 /nfs/dbraw/zinc/68/75/04/1417687504.db2.gz LASYHACWBZJZEY-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713134107 1417711371 /nfs/dbraw/zinc/71/13/71/1417711371.db2.gz HFBKBXAOBOZHHH-SFHVURJKSA-N 2 0 337.552 3.101 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713135837 1417716260 /nfs/dbraw/zinc/71/62/60/1417716260.db2.gz RRRKHVOZBIYLGB-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713150242 1417730668 /nfs/dbraw/zinc/73/06/68/1417730668.db2.gz PPSGLGLOQXLNSJ-YSKLNCTFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713169956 1417743394 /nfs/dbraw/zinc/74/33/94/1417743394.db2.gz PHZSIQRPHVFUOP-PMEOWRCESA-N 2 0 335.536 3.233 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001713242299 1417828230 /nfs/dbraw/zinc/82/82/30/1417828230.db2.gz OVHPXKUUEHSFSW-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001713270955 1417884012 /nfs/dbraw/zinc/88/40/12/1417884012.db2.gz VZTASDNJDXOEKH-WYNBNGFRSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001713275484 1417893433 /nfs/dbraw/zinc/89/34/33/1417893433.db2.gz JIDZQQYEUOILKS-MJGOQNOKSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001713332668 1417956202 /nfs/dbraw/zinc/95/62/02/1417956202.db2.gz RCOZXGORVVCJHI-ICSRJNTNSA-N 2 0 345.531 3.020 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001713378574 1417988576 /nfs/dbraw/zinc/98/85/76/1417988576.db2.gz HEDUHTZYFPGIJX-RTBURBONSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001713379015 1417989560 /nfs/dbraw/zinc/98/95/60/1417989560.db2.gz MTUZOIZCMKRYBP-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382162 1417992662 /nfs/dbraw/zinc/99/26/62/1417992662.db2.gz OLRDUEHKXZOSBI-IRXDYDNUSA-N 2 0 325.541 3.170 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001713437960 1418070118 /nfs/dbraw/zinc/07/01/18/1418070118.db2.gz RSLSXZCFGFWHTD-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713529528 1418276842 /nfs/dbraw/zinc/27/68/42/1418276842.db2.gz MJZFKODWXWUDPS-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccccc1C ZINC001713549230 1418324949 /nfs/dbraw/zinc/32/49/49/1418324949.db2.gz LCECNHWXILLRIX-OALUTQOASA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001713598569 1418388587 /nfs/dbraw/zinc/38/85/87/1418388587.db2.gz WBDVHAORECCYNV-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC(C)C)c2ccccc2)C1 ZINC001713700305 1418457589 /nfs/dbraw/zinc/45/75/89/1418457589.db2.gz CQTANDOMMAHVCC-PMACEKPBSA-N 2 0 345.531 3.212 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001713719759 1418490511 /nfs/dbraw/zinc/49/05/11/1418490511.db2.gz HDGNJULBUHSUFS-IEBWSBKVSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713759213 1418566460 /nfs/dbraw/zinc/56/64/60/1418566460.db2.gz YJMPHNUKUDOENQ-IEBWSBKVSA-N 2 0 345.531 3.188 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713832299 1418630891 /nfs/dbraw/zinc/63/08/91/1418630891.db2.gz PUMYJHFFWXDULK-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cc(C[N@@H+]2CC[C@@H](NC(=O)CCCC[NH+]3CCCC3)C2)cs1 ZINC001713839176 1418636121 /nfs/dbraw/zinc/63/61/21/1418636121.db2.gz PMBDNOQFTPKWCW-GOSISDBHSA-N 2 0 349.544 3.013 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CCC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001713866765 1418663762 /nfs/dbraw/zinc/66/37/62/1418663762.db2.gz UKYKGXJHNOQYHM-SLFFLAALSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713896141 1418693458 /nfs/dbraw/zinc/69/34/58/1418693458.db2.gz AZVNZBWLEZOTOT-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713965022 1418744959 /nfs/dbraw/zinc/74/49/59/1418744959.db2.gz UQXIDHHQOCKWLU-LWYYNNOASA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001714049151 1418847091 /nfs/dbraw/zinc/84/70/91/1418847091.db2.gz UEGHBAJFKRVTLP-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccccc1F ZINC001714105634 1418904945 /nfs/dbraw/zinc/90/49/45/1418904945.db2.gz BPOZIVMCIHIAFV-MJGOQNOKSA-N 2 0 349.494 3.073 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001714106805 1418906756 /nfs/dbraw/zinc/90/67/56/1418906756.db2.gz MBRUHFZTEYLPMM-MOPGFXCFSA-N 2 0 349.494 3.073 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001714139819 1418942561 /nfs/dbraw/zinc/94/25/61/1418942561.db2.gz VHBWKJFYCQDWCH-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001714154203 1418962266 /nfs/dbraw/zinc/96/22/66/1418962266.db2.gz RADWBMVFKOGBFZ-MSOLQXFVSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001714155914 1418965798 /nfs/dbraw/zinc/96/57/98/1418965798.db2.gz LBUSRVGGHKWAPS-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001714282527 1419062902 /nfs/dbraw/zinc/06/29/02/1419062902.db2.gz UMHWIHLDFCXOCL-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001714312624 1419093007 /nfs/dbraw/zinc/09/30/07/1419093007.db2.gz AIVGMFNQBYYGHT-WDSOQIARSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714361600 1419123047 /nfs/dbraw/zinc/12/30/47/1419123047.db2.gz KYRJDJHTSXDSKN-UYAOXDASSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714433244 1419166093 /nfs/dbraw/zinc/16/60/93/1419166093.db2.gz BBHFKOGUKMGXPH-ROUUACIJSA-N 2 0 339.568 3.418 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1 ZINC001714455701 1419188337 /nfs/dbraw/zinc/18/83/37/1419188337.db2.gz YQUZCBFUNBCYFD-GOSISDBHSA-N 2 0 339.568 3.467 10 0 EGAERP CC1(C)CCC(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCCC2)CC1 ZINC001714509814 1419237013 /nfs/dbraw/zinc/23/70/13/1419237013.db2.gz DPXRQBSDVHFKNH-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714516214 1419242833 /nfs/dbraw/zinc/24/28/33/1419242833.db2.gz BRRGPTUEYSNRNP-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cc(C[N@@H+](C)CCNC(=O)[C@H](CC(C)C)n2ccnc2)cs1 ZINC001714548382 1419274958 /nfs/dbraw/zinc/27/49/58/1419274958.db2.gz KAFNSTHRNRIZIC-KRWDZBQOSA-N 2 0 348.516 3.088 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714554712 1419282227 /nfs/dbraw/zinc/28/22/27/1419282227.db2.gz YHWQPVVOKWECRT-GOSISDBHSA-N 2 0 349.494 3.199 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001714630709 1419401462 /nfs/dbraw/zinc/40/14/62/1419401462.db2.gz AHNRTKJLULTFPW-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001714739003 1419488901 /nfs/dbraw/zinc/48/89/01/1419488901.db2.gz FUXKDKULNVWCOU-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@H](F)CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001714840668 1419552783 /nfs/dbraw/zinc/55/27/83/1419552783.db2.gz XICWZYDRTNVSOU-FUHWJXTLSA-N 2 0 349.494 3.056 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001714844754 1419556953 /nfs/dbraw/zinc/55/69/53/1419556953.db2.gz FWDXQRDIYPDMPI-FQEVSTJZSA-N 2 0 345.531 3.212 10 0 EGAERP CC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001714849296 1419560972 /nfs/dbraw/zinc/56/09/72/1419560972.db2.gz VUYYNGOLIKKFBG-GOSISDBHSA-N 2 0 331.504 3.106 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001714860039 1419580837 /nfs/dbraw/zinc/58/08/37/1419580837.db2.gz KNIKHZKMNJFQMX-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883900 1419622435 /nfs/dbraw/zinc/62/24/35/1419622435.db2.gz XTKBKBFAMMNBQV-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001714910107 1419655159 /nfs/dbraw/zinc/65/51/59/1419655159.db2.gz SSPTUQMWAODMFR-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001714974284 1419709281 /nfs/dbraw/zinc/70/92/81/1419709281.db2.gz IDYKCASTYUCZEB-UYAOXDASSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001714978437 1419713267 /nfs/dbraw/zinc/71/32/67/1419713267.db2.gz KQRLDOYFGZZWKQ-QFBILLFUSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226543 1429353077 /nfs/dbraw/zinc/35/30/77/1429353077.db2.gz OLZZQGLILBSSSK-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001714995140 1419727843 /nfs/dbraw/zinc/72/78/43/1419727843.db2.gz NMKWJWTYSXGRMN-MRNGTQDMSA-N 2 0 347.547 3.281 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001715019071 1419750085 /nfs/dbraw/zinc/75/00/85/1419750085.db2.gz ILBIJBWVMKMBPB-OALUTQOASA-N 2 0 345.531 3.239 10 0 EGAERP CCc1cccc(C[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001715033065 1419766067 /nfs/dbraw/zinc/76/60/67/1419766067.db2.gz OXQORIIMPVQVBN-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001715048591 1419789475 /nfs/dbraw/zinc/78/94/75/1419789475.db2.gz VHFKOLZBYQGLQV-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001715100267 1419840605 /nfs/dbraw/zinc/84/06/05/1419840605.db2.gz HCLPNKBCUAGYAX-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001715115934 1419859991 /nfs/dbraw/zinc/85/99/91/1419859991.db2.gz URRKBPRXVQGFMP-FPOVZHCZSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]CC2CCCCCC2)CC1 ZINC001715165885 1419905634 /nfs/dbraw/zinc/90/56/34/1419905634.db2.gz UGKXDWMAQSHDHQ-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001715174885 1419910955 /nfs/dbraw/zinc/91/09/55/1419910955.db2.gz DCPDNRRVRMWCED-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001715186778 1419919533 /nfs/dbraw/zinc/91/95/33/1419919533.db2.gz JZIORDHYDHBHBQ-YJTGKBQXSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715192686 1419925091 /nfs/dbraw/zinc/92/50/91/1419925091.db2.gz WPNXJDXMETYFEM-RTBURBONSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001715210416 1419943618 /nfs/dbraw/zinc/94/36/18/1419943618.db2.gz ODKCUFIHZXIXQA-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715396328 1420093946 /nfs/dbraw/zinc/09/39/46/1420093946.db2.gz WNUPOAVCKOGUQN-PIIXRYACSA-N 2 0 343.943 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001715401637 1420100325 /nfs/dbraw/zinc/10/03/25/1420100325.db2.gz PIGZGTZACHEWBT-INPAECQJSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715461884 1420141641 /nfs/dbraw/zinc/14/16/41/1420141641.db2.gz GRKFCJKMIBSIPL-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715464924 1420144536 /nfs/dbraw/zinc/14/45/36/1420144536.db2.gz XXWXQMHLZGXBHR-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001715483814 1420163569 /nfs/dbraw/zinc/16/35/69/1420163569.db2.gz VABSAASVUPDVHA-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715561774 1420253734 /nfs/dbraw/zinc/25/37/34/1420253734.db2.gz SOWQOWIZPRMXQB-DSQZMVHQSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCC1 ZINC001715592360 1420262778 /nfs/dbraw/zinc/26/27/78/1420262778.db2.gz ZWNVFLNOULCPKW-GOSISDBHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715624788 1420270281 /nfs/dbraw/zinc/27/02/81/1420270281.db2.gz XKTLKABUTOFDKV-WOJBJXKFSA-N 2 0 349.563 3.480 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]C/C=C\c1ccccc1 ZINC001715718101 1420310016 /nfs/dbraw/zinc/31/00/16/1420310016.db2.gz YUIXCDXDYJWTAX-JXYKKQOOSA-N 2 0 343.515 3.059 10 0 EGAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001715778577 1420340326 /nfs/dbraw/zinc/34/03/26/1420340326.db2.gz UUEQQKLRMKJIPJ-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)(C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001715852088 1420368189 /nfs/dbraw/zinc/36/81/89/1420368189.db2.gz JRGKKINTISRKRP-SREVYHEPSA-N 2 0 333.520 3.013 10 0 EGAERP CC[C@@H]([NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001715884664 1420382790 /nfs/dbraw/zinc/38/27/90/1420382790.db2.gz INKNKHXSNHYAPS-WHXUGTBJSA-N 2 0 343.515 3.132 10 0 EGAERP CC(C)(C)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001715888415 1420384124 /nfs/dbraw/zinc/38/41/24/1420384124.db2.gz ZKTPBRBMMYBXQA-JDTHPWDHSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001716029190 1420487503 /nfs/dbraw/zinc/48/75/03/1420487503.db2.gz GBKHPYCPDINLDS-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716041956 1420503851 /nfs/dbraw/zinc/50/38/51/1420503851.db2.gz NZOPFLBXCYFECG-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716045629 1420508924 /nfs/dbraw/zinc/50/89/24/1420508924.db2.gz RGKZYSVZVRBDEP-QZTJIDSGSA-N 2 0 345.531 3.088 10 0 EGAERP CC[C@H](C(=O)N(CC)CC[NH2+][C@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001716249770 1420581847 /nfs/dbraw/zinc/58/18/47/1420581847.db2.gz KIZYEDWXHXHDPA-IEBWSBKVSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCCCCC2)CC1)[NH+]1CCCC1 ZINC001733264558 1429421557 /nfs/dbraw/zinc/42/15/57/1429421557.db2.gz CIKFCDWRTCOAFZ-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC001716307285 1420599506 /nfs/dbraw/zinc/59/95/06/1420599506.db2.gz WNWQEYKYNWFDRR-BWPKMQGJSA-N 2 0 349.906 3.147 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001716465817 1420678671 /nfs/dbraw/zinc/67/86/71/1420678671.db2.gz KZEVMHHZZGHBBL-IRXDYDNUSA-N 2 0 341.499 3.335 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001716482352 1420699845 /nfs/dbraw/zinc/69/98/45/1420699845.db2.gz JAMNPJXEMLXNLB-APWZRJJASA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001716509230 1420741234 /nfs/dbraw/zinc/74/12/34/1420741234.db2.gz YUXPSYPBEOHEBH-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716513404 1420743797 /nfs/dbraw/zinc/74/37/97/1420743797.db2.gz BIXBQJYJWPZQML-OALUTQOASA-N 2 0 347.547 3.093 10 0 EGAERP CN(CCC[NH2+]CCCC1CCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001716549867 1420757709 /nfs/dbraw/zinc/75/77/09/1420757709.db2.gz LKHNIPWLWMQWGY-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001716632193 1420791003 /nfs/dbraw/zinc/79/10/03/1420791003.db2.gz WMOCRALSBNRVOJ-XLIONFOSSA-N 2 0 345.531 3.189 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001716653113 1420806124 /nfs/dbraw/zinc/80/61/24/1420806124.db2.gz BAZDPFDCOKMQGS-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1)CC(C)(C)C ZINC001716663674 1420817429 /nfs/dbraw/zinc/81/74/29/1420817429.db2.gz YOGRYCSQVAIDEL-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001716684843 1420838633 /nfs/dbraw/zinc/83/86/33/1420838633.db2.gz DWVFUMCDXWRKDU-GOSISDBHSA-N 2 0 347.547 3.070 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001716700854 1420853806 /nfs/dbraw/zinc/85/38/06/1420853806.db2.gz QWCMPXXALHRVIR-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001733276422 1429441140 /nfs/dbraw/zinc/44/11/40/1429441140.db2.gz DTZUNRWVYYWBFI-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001716728738 1420887426 /nfs/dbraw/zinc/88/74/26/1420887426.db2.gz YJVFAEJLQCCMFD-SFHVURJKSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001716848293 1420975913 /nfs/dbraw/zinc/97/59/13/1420975913.db2.gz ARTMQDUHDTZQDI-RXVVDRJESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896845 1421024593 /nfs/dbraw/zinc/02/45/93/1421024593.db2.gz XJGPJAJFYHSPED-CTNGQTDRSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCC1 ZINC001716902759 1421036030 /nfs/dbraw/zinc/03/60/30/1421036030.db2.gz NHNBGDIDMOOGSC-PZJWPPBQSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716972666 1421057645 /nfs/dbraw/zinc/05/76/45/1421057645.db2.gz CUWRFEJUANQJGY-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001716987103 1421062140 /nfs/dbraw/zinc/06/21/40/1421062140.db2.gz CXKFGJWHZRGTHO-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(CN(C(=O)CC[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001717127822 1421129391 /nfs/dbraw/zinc/12/93/91/1421129391.db2.gz DNVAZRHXZFUWRS-HMECNJMJSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717162695 1421153005 /nfs/dbraw/zinc/15/30/05/1421153005.db2.gz FKEDFRONMDGXMD-HDICACEKSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1c(C(=O)N(C)CCC[N@@H+](C)CCCC(C)C)ccc2c[nH+]cn21 ZINC001717208509 1421179942 /nfs/dbraw/zinc/17/99/42/1421179942.db2.gz FNNSQHPFKMNMJA-UHFFFAOYSA-N 2 0 344.503 3.473 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CC[NH+](C)C)C3)C2)CC1 ZINC001733289275 1429466731 /nfs/dbraw/zinc/46/67/31/1429466731.db2.gz PJJBOQWXFRZAKE-GZNCHQMQSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)CC[NH+](C)C)cc2C1 ZINC001717270701 1421227817 /nfs/dbraw/zinc/22/78/17/1421227817.db2.gz IDZQPXZWKNAQCV-UHFFFAOYSA-N 2 0 331.504 3.006 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717292869 1421238698 /nfs/dbraw/zinc/23/86/98/1421238698.db2.gz BXRDTZPGABQSJA-PXNSSMCTSA-N 2 0 345.531 3.235 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)(C)C1 ZINC001717309077 1421251255 /nfs/dbraw/zinc/25/12/55/1421251255.db2.gz DWRLLVMERFRQPD-NFTNHMJPSA-N 2 0 349.563 3.290 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733289227 1429466978 /nfs/dbraw/zinc/46/69/78/1429466978.db2.gz OSXRDRBKAGFYEI-BXKJMJEDSA-N 2 0 349.563 3.389 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733289598 1429467464 /nfs/dbraw/zinc/46/74/64/1429467464.db2.gz SNHBRQZYXWWJJU-FNEOHHHZSA-N 2 0 347.547 3.143 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001717334097 1421270028 /nfs/dbraw/zinc/27/00/28/1421270028.db2.gz PNDXWQJXYXDGAK-LUNNPTDRSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001717339230 1421277153 /nfs/dbraw/zinc/27/71/53/1421277153.db2.gz QTDHULATMCARFY-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001717341454 1421279247 /nfs/dbraw/zinc/27/92/47/1421279247.db2.gz AQSSWWIRZFAVDS-CUSZFKRNSA-N 2 0 349.494 3.101 10 0 EGAERP CCC[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001717377000 1421319478 /nfs/dbraw/zinc/31/94/78/1421319478.db2.gz CUWANSVSCXXYPA-PMACEKPBSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001733292297 1429471320 /nfs/dbraw/zinc/47/13/20/1429471320.db2.gz JFZGLCZDCASDNJ-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001717391285 1421328662 /nfs/dbraw/zinc/32/86/62/1421328662.db2.gz KEXSMQNRQDQILI-FAEJEUNOSA-N 2 0 346.519 3.043 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)NC1CC(C[NH2+]CC2CCCCCC2)C1 ZINC001717391286 1421328792 /nfs/dbraw/zinc/32/87/92/1421328792.db2.gz KEXSMQNRQDQILI-ZLPCBKJTSA-N 2 0 346.519 3.043 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001717409576 1421342453 /nfs/dbraw/zinc/34/24/53/1421342453.db2.gz FJWBTYUZDGMNNM-IAGOWNOFSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001717416178 1421347162 /nfs/dbraw/zinc/34/71/62/1421347162.db2.gz OBMPJFGENJMBTH-SJORKVTESA-N 2 0 347.547 3.068 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001717422376 1421352425 /nfs/dbraw/zinc/35/24/25/1421352425.db2.gz FPZPEDOWJSGTOF-QZTJIDSGSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001717423424 1421353067 /nfs/dbraw/zinc/35/30/67/1421353067.db2.gz SIQMTXHGBSZJCG-HOTGVXAUSA-N 2 0 349.494 3.013 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717458491 1421388054 /nfs/dbraw/zinc/38/80/54/1421388054.db2.gz UWTANSMOBCSBML-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCCC1 ZINC001717540271 1421480426 /nfs/dbraw/zinc/48/04/26/1421480426.db2.gz MMUQMHHOIDXQNR-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001717588689 1421517735 /nfs/dbraw/zinc/51/77/35/1421517735.db2.gz FUJNDBGWGPFYSO-OPDSQHBBSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001717623167 1421531968 /nfs/dbraw/zinc/53/19/68/1421531968.db2.gz KTHKPIYHBIKJFY-IPMKNSEASA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001717742614 1421606050 /nfs/dbraw/zinc/60/60/50/1421606050.db2.gz ZDMHHPQOKQOACW-WOJBJXKFSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001717839626 1421654357 /nfs/dbraw/zinc/65/43/57/1421654357.db2.gz BNNAYIHGHWZXKS-TZIWHRDSSA-N 2 0 347.547 3.166 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001717844935 1421659424 /nfs/dbraw/zinc/65/94/24/1421659424.db2.gz AHRCGYCCYJFWHI-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1[C@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001717852935 1421665341 /nfs/dbraw/zinc/66/53/41/1421665341.db2.gz FSOFYXCPLBEFPZ-PKOBYXMFSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1=CCCCC1 ZINC001717862642 1421675592 /nfs/dbraw/zinc/67/55/92/1421675592.db2.gz NLYJFILNLOBBSA-ICSRJNTNSA-N 2 0 347.547 3.332 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717870068 1421679187 /nfs/dbraw/zinc/67/91/87/1421679187.db2.gz CWJRYPQZXFGQIO-YSKLNCTFSA-N 2 0 349.563 3.482 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001717905293 1421700996 /nfs/dbraw/zinc/70/09/96/1421700996.db2.gz PGBNHRREAQKDFV-WARJXXDVSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001717979395 1421750734 /nfs/dbraw/zinc/75/07/34/1421750734.db2.gz HYNRYWAMIGAHTA-QGZVFWFLSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001717998453 1421766047 /nfs/dbraw/zinc/76/60/47/1421766047.db2.gz IYOIWDVFRPUFKU-ACBHZAAOSA-N 2 0 331.504 3.059 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)[C@@H](C)C1 ZINC001733327869 1429513563 /nfs/dbraw/zinc/51/35/63/1429513563.db2.gz MGHRHDOXDOIJGZ-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1)C1CCC1 ZINC001733340766 1429524438 /nfs/dbraw/zinc/52/44/38/1429524438.db2.gz RWWWDIOQQDCDPE-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001733418095 1429623678 /nfs/dbraw/zinc/62/36/78/1429623678.db2.gz UBGDTIUQQUWMLK-UYAOXDASSA-N 2 0 331.504 3.059 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001733418094 1429623699 /nfs/dbraw/zinc/62/36/99/1429623699.db2.gz UBGDTIUQQUWMLK-QUCCMNQESA-N 2 0 331.504 3.059 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001733440683 1429647654 /nfs/dbraw/zinc/64/76/54/1429647654.db2.gz JGAPJYWLQVUSCM-FPOVZHCZSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733458538 1429679506 /nfs/dbraw/zinc/67/95/06/1429679506.db2.gz MLMQHFMCEFGGAW-RXVVDRJESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+](CC)CC ZINC001733460139 1429683414 /nfs/dbraw/zinc/68/34/14/1429683414.db2.gz CHOLUFHJOUAZGV-ICSRJNTNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001723356599 1424369896 /nfs/dbraw/zinc/36/98/96/1424369896.db2.gz RTVLDRPCUOOOOH-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCC2CCCCCC2)CC1)[NH+]1CCCC1 ZINC001723546332 1424460262 /nfs/dbraw/zinc/46/02/62/1424460262.db2.gz ZWUUGHZIUOMFRC-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1CC ZINC001723633100 1424499992 /nfs/dbraw/zinc/49/99/92/1424499992.db2.gz DDYAJQMNHVCKFL-CEXWTWQISA-N 2 0 335.536 3.116 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001723692406 1424533257 /nfs/dbraw/zinc/53/32/57/1424533257.db2.gz ZPKWOMGWJZCNCI-FQEVSTJZSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCC1CCC1)C1CCCC1 ZINC001724088199 1424655425 /nfs/dbraw/zinc/65/54/25/1424655425.db2.gz GTTNBKFMNWKWDI-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724095933 1424658351 /nfs/dbraw/zinc/65/83/51/1424658351.db2.gz PYVCCCCVZGCMJE-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173010 1424706949 /nfs/dbraw/zinc/70/69/49/1424706949.db2.gz GVIAJEZUXXSEKU-PZJWPPBQSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001724222043 1424740757 /nfs/dbraw/zinc/74/07/57/1424740757.db2.gz FCDWLFOHZBUMSO-TZIWHRDSSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724706545 1425063139 /nfs/dbraw/zinc/06/31/39/1425063139.db2.gz HUZABXJDKIEOEB-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001724708359 1425064983 /nfs/dbraw/zinc/06/49/83/1425064983.db2.gz OPENUHPPTNCJSW-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001724728429 1425079679 /nfs/dbraw/zinc/07/96/79/1425079679.db2.gz NTSAQUWQJRDXHY-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](CC[NH2+][C@@H](C)c2cccc(F)c2)C1 ZINC001724753104 1425122944 /nfs/dbraw/zinc/12/29/44/1425122944.db2.gz XWKCPIPUBXYEQC-DLBZAZTESA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[N@@H+]43)C2)CC1 ZINC001724758932 1425129557 /nfs/dbraw/zinc/12/95/57/1425129557.db2.gz FESIKTYCXCBFBK-RTBURBONSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)C2)CC1 ZINC001724758899 1425129639 /nfs/dbraw/zinc/12/96/39/1425129639.db2.gz FEHGMIBSORAMJJ-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001724836670 1425184714 /nfs/dbraw/zinc/18/47/14/1425184714.db2.gz IJDLHSFWTAFMAI-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001724895607 1425286901 /nfs/dbraw/zinc/28/69/01/1425286901.db2.gz NPQMKCUICGNYFX-CTNGQTDRSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CCCC2CCCC2)CC1 ZINC001724956721 1425343044 /nfs/dbraw/zinc/34/30/44/1425343044.db2.gz MYJXLFYUZHNVPX-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001724959289 1425347748 /nfs/dbraw/zinc/34/77/48/1425347748.db2.gz JNEMJNDYQMGFJT-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC(C)C)[NH+](CC)CC ZINC001725033248 1425455060 /nfs/dbraw/zinc/45/50/60/1425455060.db2.gz QWAPLPCEWURDGJ-HSALFYBXSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001725066430 1425507638 /nfs/dbraw/zinc/50/76/38/1425507638.db2.gz WHTAKWISWSWPSW-SOAGJPPSSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725092517 1425534750 /nfs/dbraw/zinc/53/47/50/1425534750.db2.gz DAJWWYFSERZCAX-GJZGRUSLSA-N 2 0 330.476 3.319 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001725105616 1425555440 /nfs/dbraw/zinc/55/54/40/1425555440.db2.gz GTRBNMREJPSGEU-HOTGVXAUSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725111596 1425567629 /nfs/dbraw/zinc/56/76/29/1425567629.db2.gz KGXYAEGMXVRPLL-JKSUJKDBSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001725171492 1425681634 /nfs/dbraw/zinc/68/16/34/1425681634.db2.gz IDMRBAJWQLTDFY-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)Cc1ccc(F)cc1 ZINC001725191410 1425736262 /nfs/dbraw/zinc/73/62/62/1425736262.db2.gz UYLFGJFFQVETOI-IAGOWNOFSA-N 2 0 349.494 3.027 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+](C)C)C[C@@]2(C)C1 ZINC001725347635 1426001237 /nfs/dbraw/zinc/00/12/37/1426001237.db2.gz YRLXYPMSFWGYDA-BGYRXZFFSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H](CCC[NH2+]Cc1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725400891 1426045681 /nfs/dbraw/zinc/04/56/81/1426045681.db2.gz YCCRERSOOYTTLP-INIZCTEOSA-N 2 0 349.494 3.075 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001725420516 1426069367 /nfs/dbraw/zinc/06/93/67/1426069367.db2.gz NTLQZGJZPQVRRB-MOPGFXCFSA-N 2 0 335.536 3.116 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001725424463 1426082282 /nfs/dbraw/zinc/08/22/82/1426082282.db2.gz JTKAOVMZADUDRM-CWHLKURSSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCC1 ZINC001725445982 1426108776 /nfs/dbraw/zinc/10/87/76/1426108776.db2.gz LJTOOFUTQPDOQL-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001725446908 1426110770 /nfs/dbraw/zinc/11/07/70/1426110770.db2.gz KHCQPBZNDNCRKZ-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468633 1426137735 /nfs/dbraw/zinc/13/77/35/1426137735.db2.gz LHNHUWJVFPCQSI-APWZRJJASA-N 2 0 349.494 3.075 10 0 EGAERP CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725600815 1426256585 /nfs/dbraw/zinc/25/65/85/1426256585.db2.gz SHKBYMRKKKMVFV-DOTOQJQBSA-N 2 0 342.487 3.416 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625402 1426292517 /nfs/dbraw/zinc/29/25/17/1426292517.db2.gz COEUINOJJGTWJU-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(C)c1 ZINC001725627408 1426293972 /nfs/dbraw/zinc/29/39/72/1426293972.db2.gz LDKCZPNGRRWUKF-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CCC3CC3)C(C)(C)C2)CCCCC1 ZINC001725673345 1426357388 /nfs/dbraw/zinc/35/73/88/1426357388.db2.gz IWBRNJHALORTNA-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001725680810 1426368964 /nfs/dbraw/zinc/36/89/64/1426368964.db2.gz WPAMKSRPUNATCU-IEBWSBKVSA-N 2 0 345.531 3.306 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C ZINC001725748081 1426425902 /nfs/dbraw/zinc/42/59/02/1426425902.db2.gz VBGVFJBDRPOOAX-QGZVFWFLSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](Cc2ccc(C)cc2)CC1 ZINC001725771382 1426455532 /nfs/dbraw/zinc/45/55/32/1426455532.db2.gz NLVVTVBUWPJUKL-SFHVURJKSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001725772391 1426456214 /nfs/dbraw/zinc/45/62/14/1426456214.db2.gz WKEXCBVMDFSXID-ROUUACIJSA-N 2 0 343.515 3.060 10 0 EGAERP CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725787099 1426472638 /nfs/dbraw/zinc/47/26/38/1426472638.db2.gz QOYXQCPHXIMPMO-VOTSOKGWSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCCC(C)(C)C ZINC001731283957 1427227569 /nfs/dbraw/zinc/22/75/69/1427227569.db2.gz DQPDHCIFPBZQMB-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731423809 1427403504 /nfs/dbraw/zinc/40/35/04/1427403504.db2.gz CCCOXMXQOQMWSE-RTBURBONSA-N 2 0 339.568 3.179 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001731428330 1427409518 /nfs/dbraw/zinc/40/95/18/1427409518.db2.gz PTVXARSUUDREHN-WTGUMLROSA-N 2 0 349.563 3.218 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731433214 1427414973 /nfs/dbraw/zinc/41/49/73/1427414973.db2.gz SZTHSBKAOLUIJR-QVOQXLMASA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001731506587 1427493367 /nfs/dbraw/zinc/49/33/67/1427493367.db2.gz FMYQVVDBZIHVLS-SJORKVTESA-N 2 0 349.494 3.055 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001731550330 1427568810 /nfs/dbraw/zinc/56/88/10/1427568810.db2.gz GJKROORYLZXDAN-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001731569217 1427608838 /nfs/dbraw/zinc/60/88/38/1427608838.db2.gz UJHLWIJOFLZDNI-ONEGZZNKSA-N 2 0 347.547 3.236 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001731679643 1427727923 /nfs/dbraw/zinc/72/79/23/1427727923.db2.gz MTAWPLXJYFSHKD-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733605536 1429817042 /nfs/dbraw/zinc/81/70/42/1429817042.db2.gz DJXIBZHKDPHZQQ-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH+]1CCC2(CN(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001733695503 1429913605 /nfs/dbraw/zinc/91/36/05/1429913605.db2.gz GEPQXJNLPDCLJI-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001733864884 1437693089 /nfs/dbraw/zinc/69/30/89/1437693089.db2.gz ZLLQELCINMEBIU-ROUUACIJSA-N 2 0 335.536 3.164 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733867554 1437694628 /nfs/dbraw/zinc/69/46/28/1437694628.db2.gz CPNPJDDKXNTCFF-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001733878043 1437705113 /nfs/dbraw/zinc/70/51/13/1437705113.db2.gz HCRJWUMDQUWYIQ-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001733899126 1437716458 /nfs/dbraw/zinc/71/64/58/1437716458.db2.gz KCQKYDQVGGKTCP-RBUKOAKNSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCC1CCCC1 ZINC001733931101 1437744233 /nfs/dbraw/zinc/74/42/33/1437744233.db2.gz VRGVNYOKACDKFA-PMACEKPBSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733936947 1437751438 /nfs/dbraw/zinc/75/14/38/1437751438.db2.gz FUIPSDVPBBIGSV-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733938008 1437753004 /nfs/dbraw/zinc/75/30/04/1437753004.db2.gz SOWDBXRRJDVZAY-XLIONFOSSA-N 2 0 345.531 3.331 10 0 EGAERP CC(C)[N@@H+]1CC[C@H]([C@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001733942525 1437758695 /nfs/dbraw/zinc/75/86/95/1437758695.db2.gz YLDAFINDKWBKOQ-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001734006320 1437798083 /nfs/dbraw/zinc/79/80/83/1437798083.db2.gz XHKOKPWKPDOFOT-SJORKVTESA-N 2 0 325.541 3.172 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1CCCCC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001734023691 1437812018 /nfs/dbraw/zinc/81/20/18/1437812018.db2.gz QRORVYFSSGYAEL-UHFFFAOYSA-N 2 0 348.535 3.342 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCC1CCCCCC1 ZINC001734037919 1437826163 /nfs/dbraw/zinc/82/61/63/1437826163.db2.gz JJXGIQULZAOGTL-YQVWRLOYSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCCC1 ZINC001734092479 1437876705 /nfs/dbraw/zinc/87/67/05/1437876705.db2.gz NCQPOFFKSYGARM-UHFFFAOYSA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001734103202 1437888565 /nfs/dbraw/zinc/88/85/65/1437888565.db2.gz GXLKKNQDMOHGQG-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001734106181 1437892757 /nfs/dbraw/zinc/89/27/57/1437892757.db2.gz LPMXJTHESICKQC-BGEOSOQGSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C(=O)N1CC2(C1)CCC[N@H+](CCC(C)C)C2)[NH+](CC)CC ZINC001734196790 1437937993 /nfs/dbraw/zinc/93/79/93/1437937993.db2.gz GAIHQWZKSPJEPK-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC001734204932 1437942679 /nfs/dbraw/zinc/94/26/79/1437942679.db2.gz BJBRALGTUXCCLT-SESVDKBCSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001734233670 1437951646 /nfs/dbraw/zinc/95/16/46/1437951646.db2.gz LJMOQANRMFJDSK-UYAOXDASSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)C2CCN(C(=O)CC[NH+](C)C)CC2)cc1 ZINC001734272542 1438003642 /nfs/dbraw/zinc/00/36/42/1438003642.db2.gz PKDJLOVTAGWJBO-UHFFFAOYSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccccc1 ZINC001734285703 1438013760 /nfs/dbraw/zinc/01/37/60/1438013760.db2.gz AENIRLXTDFIBHW-WOJBJXKFSA-N 2 0 345.531 3.180 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CC(C)(C)C1 ZINC001734288996 1438018909 /nfs/dbraw/zinc/01/89/09/1438018909.db2.gz WCTKMBMOXFEXCC-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+][C@@H](C)c1ccccc1F)C1CC1 ZINC001734308926 1438040350 /nfs/dbraw/zinc/04/03/50/1438040350.db2.gz PMOIFFGAVLEZMS-KXBFYZLASA-N 2 0 349.494 3.054 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308841 1438040358 /nfs/dbraw/zinc/04/03/58/1438040358.db2.gz NSPQJIURVJSCFE-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001734345760 1438065104 /nfs/dbraw/zinc/06/51/04/1438065104.db2.gz IRUPLCZWLIEDFO-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734429973 1438094168 /nfs/dbraw/zinc/09/41/68/1438094168.db2.gz FYFRDIPNVQLIGI-NYQZOWANSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@H]2C1 ZINC001734449166 1438108349 /nfs/dbraw/zinc/10/83/49/1438108349.db2.gz JEIHCHSJLNAXGB-UFYCRDLUSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001734455788 1438113262 /nfs/dbraw/zinc/11/32/62/1438113262.db2.gz FTTKOXDRMHDWDC-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c1 ZINC001734456898 1438114352 /nfs/dbraw/zinc/11/43/52/1438114352.db2.gz JEIWZYVNOMPFSA-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494738 1438131861 /nfs/dbraw/zinc/13/18/61/1438131861.db2.gz BXYPTLZICAXDFY-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001734496729 1438132798 /nfs/dbraw/zinc/13/27/98/1438132798.db2.gz RNRGAUMSEKJNIK-ZGKJDNBHSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c1 ZINC001734577282 1438170240 /nfs/dbraw/zinc/17/02/40/1438170240.db2.gz XMOIBYNABUXCGV-IBGZPJMESA-N 2 0 345.531 3.020 10 0 EGAERP CCC/C=C\CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001734626640 1438191289 /nfs/dbraw/zinc/19/12/89/1438191289.db2.gz GXDFWUWCWBJIRJ-SREVYHEPSA-N 2 0 347.547 3.356 10 0 EGAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CCCC(C)(C)C)CC2)CC1 ZINC001734635570 1438196302 /nfs/dbraw/zinc/19/63/02/1438196302.db2.gz LLPIFWTUTWBYLV-UHFFFAOYSA-N 2 0 349.563 3.293 10 0 EGAERP Cc1nn(C)c(C)c1CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359892554 201117034 /nfs/dbraw/zinc/11/70/34/201117034.db2.gz BUQCLLJHDMMFDJ-JXFKEZNVSA-N 2 0 340.515 3.080 10 0 EGAERP CC(C)[C@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271734231 201245519 /nfs/dbraw/zinc/24/55/19/201245519.db2.gz CUWIOMQMTQYXJG-PMACEKPBSA-N 2 0 333.495 3.138 10 0 EGAERP CCOC(CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)OCC ZINC000276516460 201295503 /nfs/dbraw/zinc/29/55/03/201295503.db2.gz LNGVRJNFZTZRLV-HKUYNNGSSA-N 2 0 334.504 3.276 10 0 EGAERP C[NH+]1CCN(C[C@H]([NH2+]Cc2cccc(Cl)c2)c2ccccc2)CC1 ZINC000071794523 203114247 /nfs/dbraw/zinc/11/42/47/203114247.db2.gz UHTRRURQBVGVHT-FQEVSTJZSA-N 2 0 343.902 3.418 10 0 EGAERP C[N@H+](Cc1cc(Br)cs1)Cc1ccc(C(N)=[NH2+])cc1 ZINC000042399530 204093198 /nfs/dbraw/zinc/09/31/98/204093198.db2.gz KNPVDFXYJYMMTG-UHFFFAOYSA-N 2 0 338.274 3.427 10 0 EGAERP CC(C)[C@H](C[NH2+][C@@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000130433876 205239257 /nfs/dbraw/zinc/23/92/57/205239257.db2.gz AMXXBVPPZNESBN-HBMCJLEFSA-N 2 0 329.532 3.184 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131190111 205277780 /nfs/dbraw/zinc/27/77/80/205277780.db2.gz JSOVPKUPJKJQBO-SESVDKBCSA-N 2 0 329.532 3.186 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN(C)C(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000176983182 207281018 /nfs/dbraw/zinc/28/10/18/207281018.db2.gz LFLAOFQDLNXPNZ-HNNXBMFYSA-N 2 0 343.471 3.051 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000268820335 252270957 /nfs/dbraw/zinc/27/09/57/252270957.db2.gz RUJTZZJLOULWSX-CZAAIQMYSA-N 2 0 342.458 3.359 10 0 EGAERP C[N@@H+]1CCC[C@H]2CN(CC(=O)Nc3cccc4ccccc43)CC[C@H]21 ZINC000246526048 141013886 /nfs/dbraw/zinc/01/38/86/141013886.db2.gz ADCAIEKHXCVQLE-FXAWDEMLSA-N 2 0 337.467 3.194 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246928463 141043841 /nfs/dbraw/zinc/04/38/41/141043841.db2.gz GTZDCQWIPLVPJC-WIYYLYMNSA-N 2 0 344.547 3.004 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@@H]2CCC[C@H]21 ZINC000353444509 141297362 /nfs/dbraw/zinc/29/73/62/141297362.db2.gz VQROWDFWSDOJOR-PCCBWWKXSA-N 2 0 345.506 3.253 10 0 EGAERP CN1CC[NH+]([C@H]2CCCCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000189963873 153109047 /nfs/dbraw/zinc/10/90/47/153109047.db2.gz KPCAYZKLAZRJDG-INIZCTEOSA-N 2 0 339.886 3.081 10 0 EGAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000337412102 154340629 /nfs/dbraw/zinc/34/06/29/154340629.db2.gz XIXFMCQBOTVPEJ-NRSPTQNISA-N 2 0 328.500 3.312 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000248132688 292352283 /nfs/dbraw/zinc/35/22/83/292352283.db2.gz ORHHNLTYZOSOFO-HKUYNNGSSA-N 2 0 332.488 3.035 10 0 EGAERP CC(C)C[C@@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028797 161904083 /nfs/dbraw/zinc/90/40/83/161904083.db2.gz ZZBYPCZHYHZYNR-QGZVFWFLSA-N 2 0 331.504 3.036 10 0 EGAERP c1cn(CCC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000248406293 163002047 /nfs/dbraw/zinc/00/20/47/163002047.db2.gz SFPINVGBBLVFFH-PCCBWWKXSA-N 2 0 338.499 3.164 10 0 EGAERP CCCN(C(=O)CC[C@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248887684 163043063 /nfs/dbraw/zinc/04/30/63/163043063.db2.gz VENSOCLBRHWLJY-HKUYNNGSSA-N 2 0 331.504 3.017 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C[C@@H](O)CC(F)(F)F ZINC000249269740 163061616 /nfs/dbraw/zinc/06/16/16/163061616.db2.gz IYDWUPXPYPIPQH-HDEZJCGLSA-N 2 0 344.421 3.046 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000354352411 166007906 /nfs/dbraw/zinc/00/79/06/166007906.db2.gz PKUMQEQXYGVWEC-UHFFFAOYSA-N 2 0 347.894 3.132 10 0 EGAERP C[C@@H](c1cccc(Cl)c1F)[N@H+](C)CCCN(C)CC[NH+](C)C ZINC000344069254 164096575 /nfs/dbraw/zinc/09/65/75/164096575.db2.gz QPQUJFWIYKUFNT-AWEZNQCLSA-N 2 0 329.891 3.355 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OCC(C)C)CC1 ZINC000346165871 164354403 /nfs/dbraw/zinc/35/44/03/164354403.db2.gz FMFJSGKWPQKCQC-UHFFFAOYSA-N 2 0 328.460 3.213 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@](C)(OC)C2)CC1 ZINC000355197817 166130517 /nfs/dbraw/zinc/13/05/17/166130517.db2.gz JOGFGRKFBYGRNA-OAQYLSRUSA-N 2 0 345.531 3.220 10 0 EGAERP CCc1noc(C2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)n1 ZINC000366284813 168102305 /nfs/dbraw/zinc/10/23/05/168102305.db2.gz PCBRHRCWKMFTDL-UHFFFAOYSA-N 2 0 332.492 3.265 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000366789049 168140961 /nfs/dbraw/zinc/14/09/61/168140961.db2.gz JCWYRPAXWSJMCE-HKUYNNGSSA-N 2 0 332.488 3.299 10 0 EGAERP c1cc(-c2ccc(C[NH2+]CC3CCN(c4cc[nH+]cc4)CC3)o2)n[nH]1 ZINC000366857391 168148959 /nfs/dbraw/zinc/14/89/59/168148959.db2.gz WTGJIDUHWCLFBP-UHFFFAOYSA-N 2 0 337.427 3.071 10 0 EGAERP CC1CC[NH+](CCN2CCC[C@H](c3ncc4n3CCCC4)C2)CC1 ZINC000367057240 168173399 /nfs/dbraw/zinc/17/33/99/168173399.db2.gz HKWKIRMOTRPZLF-SFHVURJKSA-N 2 0 330.520 3.131 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1 ZINC000155108989 274485990 /nfs/dbraw/zinc/48/59/90/274485990.db2.gz XFKVMCBFUHLQRV-CHWSQXEVSA-N 2 0 330.303 3.280 10 0 EGAERP CC1(C[NH+]2CCN([C@@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000289631659 276369134 /nfs/dbraw/zinc/36/91/34/276369134.db2.gz LZIQOKUSLPMDDT-HXUWFJFHSA-N 2 0 327.516 3.069 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488151 278355345 /nfs/dbraw/zinc/35/53/45/278355345.db2.gz MHFLHDCYTXKBQJ-XLIONFOSSA-N 2 0 328.500 3.303 10 0 EGAERP C[C@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000343573115 279232629 /nfs/dbraw/zinc/23/26/29/279232629.db2.gz AUWDYZGFJLLYQE-RMJJICAUSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)c1 ZINC000119613438 281254172 /nfs/dbraw/zinc/25/41/72/281254172.db2.gz PUOFLBIMMXZBAX-YBVXAUJNSA-N 2 0 327.516 3.299 10 0 EGAERP Cc1ccccc1[C@H]([NH2+][C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000180495699 302199685 /nfs/dbraw/zinc/19/96/85/302199685.db2.gz POJVQZOGIZDNIA-SIKLNZKXSA-N 2 0 337.511 3.310 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC2(CCC2)CC1 ZINC000414478279 309083022 /nfs/dbraw/zinc/08/30/22/309083022.db2.gz OLYPJLNQUHMFSE-UHFFFAOYSA-N 2 0 328.485 3.437 10 0 EGAERP C[C@H]1CCN(Cc2cnc(Br)s2)C[C@@H]1n1ccnc1 ZINC000294904787 308270028 /nfs/dbraw/zinc/27/00/28/308270028.db2.gz HPZZOWGLILNEHA-JQWIXIFHSA-N 2 0 341.278 3.185 10 0 EGAERP C[C@H]([NH3+])[C@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414708042 309096480 /nfs/dbraw/zinc/09/64/80/309096480.db2.gz IFYMLQXSMXXFGM-GJZGRUSLSA-N 2 0 332.492 3.308 10 0 EGAERP CC(C)C[C@@H]([NH3+])CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414760987 309099259 /nfs/dbraw/zinc/09/92/59/309099259.db2.gz ZPYSXTZCGXGDGC-HXUWFJFHSA-N 2 0 329.532 3.348 10 0 EGAERP Cc1csc(N2CCC([NH2+]Cc3ccc([C@@H](C)[NH3+])cc3)CC2)n1 ZINC000414804508 309102598 /nfs/dbraw/zinc/10/25/98/309102598.db2.gz FLBMFQHPLQUPQY-CQSZACIVSA-N 2 0 330.501 3.230 10 0 EGAERP CCOc1c(OC)cc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414810874 309103098 /nfs/dbraw/zinc/10/30/98/309103098.db2.gz OXDODVWAXABYPS-AWEZNQCLSA-N 2 0 344.455 3.412 10 0 EGAERP CCCOc1ccc(Br)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824912 309103943 /nfs/dbraw/zinc/10/39/43/309103943.db2.gz BLMGZJQZVBKWSX-ZDUSSCGKSA-N 2 0 341.293 3.327 10 0 EGAERP Fc1ccc(Br)c(F)c1C[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000414850636 309105519 /nfs/dbraw/zinc/10/55/19/309105519.db2.gz ZNTVLOQKOHKKIO-JTQLQIEISA-N 2 0 333.220 3.207 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[NH2+]C[C@@H]1C ZINC000414945388 309110620 /nfs/dbraw/zinc/11/06/20/309110620.db2.gz RKZOSMMISGKMBD-SCRDCRAPSA-N 2 0 343.393 3.010 10 0 EGAERP CC[C@@H](Cc1ccc(C)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052853 309116744 /nfs/dbraw/zinc/11/67/44/309116744.db2.gz LUICNOXWACJOEM-MWXLCCTBSA-N 2 0 329.532 3.122 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cccc(OCc3ccccn3)c2)C[C@@]1(C)C[NH3+] ZINC000415053640 309116762 /nfs/dbraw/zinc/11/67/62/309116762.db2.gz KNZMLGFBYUEHFV-OXQOHEQNSA-N 2 0 325.456 3.077 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415118042 309121511 /nfs/dbraw/zinc/12/15/11/309121511.db2.gz DNJOYILEMIWPET-AZUAARDMSA-N 2 0 332.488 3.030 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000415945618 309150576 /nfs/dbraw/zinc/15/05/76/309150576.db2.gz RSRBWFWFMCCKST-UHFFFAOYSA-N 2 0 346.519 3.430 10 0 EGAERP [NH3+]Cc1ccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)cc1 ZINC000415962940 309151468 /nfs/dbraw/zinc/15/14/68/309151468.db2.gz UPRYZVTVVPLQNX-UHFFFAOYSA-N 2 0 338.455 3.063 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1)CC(C)C ZINC000416966561 309188226 /nfs/dbraw/zinc/18/82/26/309188226.db2.gz YOAAYTARMHYFJD-VQIMIIECSA-N 2 0 348.535 3.262 10 0 EGAERP FC(F)CN1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377364 309203628 /nfs/dbraw/zinc/20/36/28/309203628.db2.gz CXQNWDPTAJXTBG-CADBVGFASA-N 2 0 349.469 3.111 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417528157 309209508 /nfs/dbraw/zinc/20/95/08/309209508.db2.gz FBBSHAWOKJBNFQ-LMMKCTJWSA-N 2 0 346.519 3.029 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OC2CCC2)CC1 ZINC000418087454 309235012 /nfs/dbraw/zinc/23/50/12/309235012.db2.gz CBNIHXFFKSRBAU-UHFFFAOYSA-N 2 0 326.444 3.109 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](C)[C@@H](C)[C@H]2Cc3ccccc3O2)cc1 ZINC000420369819 309284504 /nfs/dbraw/zinc/28/45/04/309284504.db2.gz JASUVVIQBIQINH-RRMPHLOHSA-N 2 0 340.467 3.062 10 0 EGAERP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)c1 ZINC000422703099 309363763 /nfs/dbraw/zinc/36/37/63/309363763.db2.gz HAMVHYOADVYECS-NASSWSRMSA-N 2 0 343.515 3.174 10 0 EGAERP CCC[NH+]1CCC(CN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422746463 309366354 /nfs/dbraw/zinc/36/63/54/309366354.db2.gz WPCOKQWRBOJNHV-NHCUHLMSSA-N 2 0 345.531 3.200 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422753840 309366650 /nfs/dbraw/zinc/36/66/50/309366650.db2.gz FERRIGFIZCBKMA-IPMKNSEASA-N 2 0 332.488 3.147 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]CCc1c[nH]c2ccc(F)cc12 ZINC000422760606 309366971 /nfs/dbraw/zinc/36/69/71/309366971.db2.gz MCCCXIZMUKKFDH-GFCCVEGCSA-N 2 0 326.419 3.362 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422876108 309373368 /nfs/dbraw/zinc/37/33/68/309373368.db2.gz PUSWFMABSJUSJV-WJFTUGDTSA-N 2 0 343.515 3.174 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1cccc(Br)c1 ZINC000422881627 309373909 /nfs/dbraw/zinc/37/39/09/309373909.db2.gz QVKUQLUFGKJRMJ-OAHLLOKOSA-N 2 0 343.309 3.070 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422911957 309375899 /nfs/dbraw/zinc/37/58/99/309375899.db2.gz LUOIUWIGGSJZSG-HNNXBMFYSA-N 2 0 325.522 3.077 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000422930681 309376547 /nfs/dbraw/zinc/37/65/47/309376547.db2.gz VLZBZCZTYXFFDE-YLJYHZDGSA-N 2 0 343.515 3.192 10 0 EGAERP c1ccc(C2(C[NH2+][C@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104607 309386136 /nfs/dbraw/zinc/38/61/36/309386136.db2.gz HMNCWBTWCRKKHS-PGRDOPGGSA-N 2 0 349.478 3.349 10 0 EGAERP c1ccc(C2(C[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104608 309386178 /nfs/dbraw/zinc/38/61/78/309386178.db2.gz HMNCWBTWCRKKHS-XMSQKQJNSA-N 2 0 349.478 3.349 10 0 EGAERP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000423110097 309386532 /nfs/dbraw/zinc/38/65/32/309386532.db2.gz ULUPBSAJWKQPCC-RRFJBIMHSA-N 2 0 325.403 3.083 10 0 EGAERP C[C@H](CC(=O)Nc1cc(C(F)(F)F)ccc1Cl)[NH2+]CCC[NH3+] ZINC000423181633 309389345 /nfs/dbraw/zinc/38/93/45/309389345.db2.gz GHURNJHIMCGIEA-SECBINFHSA-N 2 0 337.773 3.014 10 0 EGAERP Cc1nccn1-c1ccc([C@@H](C)[NH2+]CCCNCc2cccnc2)cc1 ZINC000423183989 309389471 /nfs/dbraw/zinc/38/94/71/309389471.db2.gz HDLPUUPOVZOWJS-QGZVFWFLSA-N 3 0 349.482 3.406 10 0 EGAERP C[C@H](NCCC[NH2+]Cc1cccnc1)c1cnn(Cc2ccccc2)c1 ZINC000423193133 309389816 /nfs/dbraw/zinc/38/98/16/309389816.db2.gz WPYUDQRSQDIMSD-SFHVURJKSA-N 2 0 349.482 3.157 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423215243 309390917 /nfs/dbraw/zinc/39/09/17/309390917.db2.gz MQEGGSNXSBDTFC-BJLQDIEVSA-N 2 0 329.532 3.060 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+]C[C@H]1CCC[NH2+]C1)CCCO2 ZINC000423221075 309391033 /nfs/dbraw/zinc/39/10/33/309391033.db2.gz ZENPJHKAYOTXEI-SWLSCSKDSA-N 2 0 339.277 3.252 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423363226 309397059 /nfs/dbraw/zinc/39/70/59/309397059.db2.gz BPFODKOKCCONMV-JLZZUVOBSA-N 2 0 337.305 3.358 10 0 EGAERP C[NH+]1CCC(O)(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447545233 309981745 /nfs/dbraw/zinc/98/17/45/309981745.db2.gz WUPMAOYGCRDKCP-FQEVSTJZSA-N 2 0 342.458 3.156 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000449071988 310034708 /nfs/dbraw/zinc/03/47/08/310034708.db2.gz CZRVZQDRAIUNCR-ICSRJNTNSA-N 2 0 341.543 3.156 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2cc3cccnc3o2)cc1 ZINC000449088065 310036102 /nfs/dbraw/zinc/03/61/02/310036102.db2.gz GXQJGWSAYJYWAU-UHFFFAOYSA-N 2 0 325.412 3.058 10 0 EGAERP C[C@@H](CN1CCCC1=O)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449089779 310036174 /nfs/dbraw/zinc/03/61/74/310036174.db2.gz LJHXVTIQDBQSLH-INIZCTEOSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2CC[NH+](C)CC2)CC1 ZINC000449133461 310039401 /nfs/dbraw/zinc/03/94/01/310039401.db2.gz YNYBTLCEAFOLCG-SFHVURJKSA-N 3 0 329.532 3.013 10 0 EGAERP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449154059 310040826 /nfs/dbraw/zinc/04/08/26/310040826.db2.gz GZWSREFFKVGDHN-LAUBAEHRSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@H](CO)CC2)CC1 ZINC000449194763 310043610 /nfs/dbraw/zinc/04/36/10/310043610.db2.gz YEQLZAXXFOVFHP-MISYRCLQSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC2([NH+](C)C)CCC2)CC1 ZINC000449262562 310048404 /nfs/dbraw/zinc/04/84/04/310048404.db2.gz DNJOHDWKQUQSMH-GOSISDBHSA-N 2 0 329.532 3.156 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](OC)[C@H](C)C2)CC1 ZINC000449493590 310066584 /nfs/dbraw/zinc/06/65/84/310066584.db2.gz FDYDOMOVMGUPEF-NQIIRXRSSA-N 2 0 345.531 3.075 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC3 ZINC000449559567 310072137 /nfs/dbraw/zinc/07/21/37/310072137.db2.gz BZQLNLHOBCNAIL-HNSVSWJLSA-N 2 0 339.483 3.249 10 0 EGAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ncc(-c2ccccc2)n1C ZINC000453197046 310263571 /nfs/dbraw/zinc/26/35/71/310263571.db2.gz MTZKHZPQQXRZTO-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000456732142 310420356 /nfs/dbraw/zinc/42/03/56/310420356.db2.gz VIQKUDPXGWJYPF-UHFFFAOYSA-N 2 0 349.563 3.220 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](C[C@H](C)c2ccc(F)cc2)CC1 ZINC000475627668 310815051 /nfs/dbraw/zinc/81/50/51/310815051.db2.gz UFBAOOMYUBGIAH-HNNXBMFYSA-N 2 0 329.419 3.155 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000476264358 310825822 /nfs/dbraw/zinc/82/58/22/310825822.db2.gz VRWABNWOBMBHNU-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC(C)(C)O2)CC1 ZINC000495175906 311540318 /nfs/dbraw/zinc/54/03/18/311540318.db2.gz VOXIEZVMNRLUDK-LJQANCHMSA-N 2 0 345.531 3.266 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H](C[NH3+])c1ccc2ccccc2c1 ZINC000516464913 312324589 /nfs/dbraw/zinc/32/45/89/312324589.db2.gz GXLNNNKEJSGOPJ-PMACEKPBSA-N 2 0 339.483 3.220 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](CCc2ncc(C)cc2C)CC1 ZINC000517736126 312390857 /nfs/dbraw/zinc/39/08/57/312390857.db2.gz JSKSNIHLBMTYQC-UHFFFAOYSA-N 2 0 347.547 3.311 10 0 EGAERP CCc1cc(N2CCC(C)([NH+]3CCOCC3)CC2)c2ccccc2[nH+]1 ZINC000528189778 313036234 /nfs/dbraw/zinc/03/62/34/313036234.db2.gz OHBFCYXYCOIYQF-UHFFFAOYSA-N 2 0 339.483 3.488 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCCC1 ZINC000544362327 314689889 /nfs/dbraw/zinc/68/98/89/314689889.db2.gz CPKBNVRKBKGMTA-QGZVFWFLSA-N 2 0 330.520 3.282 10 0 EGAERP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000552040961 315191871 /nfs/dbraw/zinc/19/18/71/315191871.db2.gz PHNTXZQNGJDZEL-IPMKNSEASA-N 2 0 329.488 3.388 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@@H]2CCC[C@H]21 ZINC000552043273 315192508 /nfs/dbraw/zinc/19/25/08/315192508.db2.gz FPOGKGCBFKNTAN-YESZJQIVSA-N 2 0 337.305 3.454 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552054248 315193884 /nfs/dbraw/zinc/19/38/84/315193884.db2.gz PVCCZYXVVVYAOS-VMXMFDLUSA-N 2 0 327.516 3.365 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000552899102 315237046 /nfs/dbraw/zinc/23/70/46/315237046.db2.gz LPVBNOHUJIXQIB-OKZBNKHCSA-N 2 0 334.504 3.105 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1ccc(Cl)s1)C(=O)NCC[NH+](C)C ZINC000553912158 315288295 /nfs/dbraw/zinc/28/82/95/315288295.db2.gz GRQIWMRNNVYIBZ-STQMWFEESA-N 2 0 345.940 3.145 10 0 EGAERP CCN(C[C@@H]1CCC[N@@H+]1CC)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000555350130 315380672 /nfs/dbraw/zinc/38/06/72/315380672.db2.gz NIJJQVGRWDAWLU-FQEVSTJZSA-N 2 0 343.515 3.229 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000561894977 315787354 /nfs/dbraw/zinc/78/73/54/315787354.db2.gz YMHONSCSNIZQLW-IBGZPJMESA-N 2 0 328.435 3.027 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@@H](c2cncc(Br)c2)C2CC2)CC1 ZINC000564318745 316135656 /nfs/dbraw/zinc/13/56/56/316135656.db2.gz CRSHMEUBHQQCFZ-QJLPXFQTSA-N 2 0 338.293 3.402 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000570202401 317021625 /nfs/dbraw/zinc/02/16/25/317021625.db2.gz ZDSIODGZWBZKJS-IAGOWNOFSA-N 2 0 336.520 3.116 10 0 EGAERP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407976 317196241 /nfs/dbraw/zinc/19/62/41/317196241.db2.gz OCALOOHOPJXDDE-JKSUJKDBSA-N 2 0 329.419 3.302 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc(C(F)(F)F)c1 ZINC000578625482 324995444 /nfs/dbraw/zinc/99/54/44/324995444.db2.gz ZIALZMRKCWNGKB-GJZGRUSLSA-N 2 0 343.393 3.400 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1OC ZINC000581005742 325320120 /nfs/dbraw/zinc/32/01/20/325320120.db2.gz HSPGNPUMRSVNMT-KZNAEPCWSA-N 2 0 332.488 3.147 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000591657976 459418656 /nfs/dbraw/zinc/41/86/56/459418656.db2.gz PCGCAQZPYOGWMT-DOTOQJQBSA-N 2 0 326.525 3.310 10 0 EGAERP CN1CC[C@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000623477849 460570320 /nfs/dbraw/zinc/57/03/20/460570320.db2.gz ULXLXQAMISBJPO-JCGIZDLHSA-N 2 0 337.458 3.172 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2ncccc21)[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265475438 455331700 /nfs/dbraw/zinc/33/17/00/455331700.db2.gz JCXLWRUGDGIAFD-AWEZNQCLSA-N 2 0 349.438 3.165 10 0 EGAERP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@@H]32)cc1 ZINC000631887997 460589434 /nfs/dbraw/zinc/58/94/34/460589434.db2.gz SHMDEMAWFZRKCX-ZBFHGGJFSA-N 2 0 328.378 3.202 10 0 EGAERP COc1ccc(C[NH2+]C[C@@H]2CCC[N@H+](CC3CC3)C2)cc1OC1CC1 ZINC000623575003 460619768 /nfs/dbraw/zinc/61/97/68/460619768.db2.gz FPTWJNDSJZYXLC-SFHVURJKSA-N 2 0 344.499 3.448 10 0 EGAERP Cc1cc2c(c(-c3ccc(C[NH+]4CCCCC4)cn3)c1)O[C@@H](C[NH3+])C2 ZINC000067688339 453957996 /nfs/dbraw/zinc/95/79/96/453957996.db2.gz GKOPASVSBHZGTJ-GOSISDBHSA-N 2 0 337.467 3.305 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC[C@H]1CCCOC1 ZINC000623591981 460629306 /nfs/dbraw/zinc/62/93/06/460629306.db2.gz QRGOBPGMOULXOS-LJQANCHMSA-N 2 0 332.488 3.068 10 0 EGAERP O=C(NCC[NH+]1CCCCCC1)c1ccc(C[NH+]2CCCCC2)s1 ZINC000072307015 454293229 /nfs/dbraw/zinc/29/32/29/454293229.db2.gz IGNWLZUPZSPHHR-UHFFFAOYSA-N 2 0 349.544 3.340 10 0 EGAERP C[N@@H+]1CCC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132922230 454377321 /nfs/dbraw/zinc/37/73/21/454377321.db2.gz IUAIORFSUITEGF-IUODEOHRSA-N 2 0 327.394 3.409 10 0 EGAERP C[C@@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000101634993 454477769 /nfs/dbraw/zinc/47/77/69/454477769.db2.gz BOZVDSIUXIKTPO-BBWFWOEESA-N 2 0 329.488 3.482 10 0 EGAERP O=C(CC[N@@H+]1CC[C@H](CNc2ccccn2)C1)c1ccc(F)cc1 ZINC000122084812 454508086 /nfs/dbraw/zinc/50/80/86/454508086.db2.gz PMJXCBOPYJJNMU-OAHLLOKOSA-N 2 0 327.403 3.228 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](Cc3cnc4c(C)cccn34)C2)[nH+]1 ZINC000092813265 454639354 /nfs/dbraw/zinc/63/93/54/454639354.db2.gz KWIIMMKSQWCZAR-QGZVFWFLSA-N 2 0 335.455 3.280 10 0 EGAERP Cc1ccc2ncc(C[N@@H+]3CC[C@H](CNc4cccc(C)[nH+]4)C3)n2c1 ZINC000092813449 454639834 /nfs/dbraw/zinc/63/98/34/454639834.db2.gz BSCXMUZPYKGTNC-QGZVFWFLSA-N 2 0 335.455 3.280 10 0 EGAERP COc1ccc(CN[C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc1OC(F)F ZINC000126662534 454909505 /nfs/dbraw/zinc/90/95/05/454909505.db2.gz ZMLDRVOFIFOUJJ-ZIAGYGMSSA-N 2 0 326.387 3.013 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000156610737 455137915 /nfs/dbraw/zinc/13/79/15/455137915.db2.gz WZRKIDLUFQQLIT-IBGZPJMESA-N 2 0 329.532 3.158 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2C[C@H]3CCC[NH+]3C[C@H]2C)cc1)C(C)C ZINC000247508739 455614174 /nfs/dbraw/zinc/61/41/74/455614174.db2.gz VRAUUTCHVUVRDW-YLJYHZDGSA-N 2 0 343.515 3.226 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000249484681 455757453 /nfs/dbraw/zinc/75/74/53/455757453.db2.gz UDGWEJPXQNOFDL-ZBFHGGJFSA-N 2 0 336.442 3.276 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)cc1 ZINC000617008097 460703904 /nfs/dbraw/zinc/70/39/04/460703904.db2.gz BGZMCWBXURDDQY-GOSISDBHSA-N 2 0 331.504 3.131 10 0 EGAERP Fc1ccc(-c2c[nH]c([C@@H]3CCC[N@@H+]3CC3CC[NH2+]CC3)n2)cc1 ZINC000262149943 456004748 /nfs/dbraw/zinc/00/47/48/456004748.db2.gz FWZVKBDVGHCMBN-SFHVURJKSA-N 2 0 328.435 3.352 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000280721987 456038142 /nfs/dbraw/zinc/03/81/42/456038142.db2.gz MHMQHGNHJDZNGF-DYVFJYSZSA-N 2 0 329.419 3.303 10 0 EGAERP CC[C@H]([NH2+]C1CCN(C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648648 456104207 /nfs/dbraw/zinc/10/42/07/456104207.db2.gz ISNYFQDBYHKOQW-DLBZAZTESA-N 2 0 339.524 3.238 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2cc(C)c(O)c(C)c2)[C@H](C)C1 ZINC000290230567 456271272 /nfs/dbraw/zinc/27/12/72/456271272.db2.gz FUPCBUVUBKBGSC-IEBWSBKVSA-N 2 0 334.504 3.236 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](N3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000340290241 456366819 /nfs/dbraw/zinc/36/68/19/456366819.db2.gz XWWMTNOMSRQHPH-NRFANRHFSA-N 2 0 327.516 3.069 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000657825584 462285838 /nfs/dbraw/zinc/28/58/38/462285838.db2.gz ZFKCSRSLDCLVSX-NRFANRHFSA-N 2 0 346.515 3.204 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCO1 ZINC000658320010 462477494 /nfs/dbraw/zinc/47/74/94/462477494.db2.gz LQMVTPQWMAGPKM-SXLOBPIMSA-N 2 0 328.500 3.446 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@H]2CCC[C@H]21 ZINC000353410912 456683527 /nfs/dbraw/zinc/68/35/27/456683527.db2.gz XRVMZAFIUNAHNP-FRRDWIJNSA-N 2 0 329.307 3.473 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@H]2C)CC1 ZINC000343560285 456705534 /nfs/dbraw/zinc/70/55/34/456705534.db2.gz COMCGNOHPYJAHQ-MJGOQNOKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000353499416 456717558 /nfs/dbraw/zinc/71/75/58/456717558.db2.gz UESGPWHOCDCHEO-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP CN(C)[C@H](CN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1c(F)cccc1F ZINC000353511351 456725129 /nfs/dbraw/zinc/72/51/29/456725129.db2.gz AZGUDTQFQZXPMC-BNEJOLLZSA-N 2 0 337.458 3.030 10 0 EGAERP Fc1ccc(CN(Cc2cccnc2)C[C@@H]2CC[NH2+]C2)cc1Cl ZINC000328653094 456729189 /nfs/dbraw/zinc/72/91/89/456729189.db2.gz WTDXETBBIDROLT-MRXNPFEDSA-N 2 0 333.838 3.486 10 0 EGAERP Cn1ccc([C@@H]([NH2+]C2CCC([NH+](C)C)CC2)c2ccc(F)cc2)n1 ZINC000353644980 456825208 /nfs/dbraw/zinc/82/52/08/456825208.db2.gz OXJBNTPEMCBCIT-TVPLGVNVSA-N 2 0 330.451 3.111 10 0 EGAERP C[N@@H+]1CCCC(C)(C)[C@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000344643733 456842455 /nfs/dbraw/zinc/84/24/55/456842455.db2.gz NJYWNJCOCMDMAO-LJQANCHMSA-N 2 0 343.515 3.133 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CC2(C)CC[NH+](C)CC2)cc1NC(C)=O ZINC000356775843 457161669 /nfs/dbraw/zinc/16/16/69/457161669.db2.gz LQUWIYJWDZCXAI-AWEZNQCLSA-N 2 0 333.476 3.036 10 0 EGAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000356849523 457183582 /nfs/dbraw/zinc/18/35/82/457183582.db2.gz PRQNZINAWMEHGV-AWEZNQCLSA-N 2 0 347.894 3.303 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000354404097 457200777 /nfs/dbraw/zinc/20/07/77/457200777.db2.gz MOLBXWIEYXOGTJ-UXHICEINSA-N 2 0 343.515 3.032 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3cccc(F)c3)cn2)CC1 ZINC000360023272 457209147 /nfs/dbraw/zinc/20/91/47/457209147.db2.gz KNWTZRDIAKHKTI-INIZCTEOSA-N 2 0 342.462 3.213 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)CC(C)C ZINC000363319860 457292181 /nfs/dbraw/zinc/29/21/81/457292181.db2.gz RAASYYIHYDVHLS-KRWDZBQOSA-N 2 0 349.523 3.055 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000355015129 457335835 /nfs/dbraw/zinc/33/58/35/457335835.db2.gz LEZLGYNLDKVKKY-GOSISDBHSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352448174 457375281 /nfs/dbraw/zinc/37/52/81/457375281.db2.gz FKHREPNBKJILQX-QGZVFWFLSA-N 2 0 326.488 3.297 10 0 EGAERP c1ccc(COC[C@@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1 ZINC000384175605 457426732 /nfs/dbraw/zinc/42/67/32/457426732.db2.gz YRKYANWBSJBJEO-LJQANCHMSA-N 2 0 336.479 3.371 10 0 EGAERP C[C@@H]1C[C@H](C)[N@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000397340087 457486903 /nfs/dbraw/zinc/48/69/03/457486903.db2.gz VIXOZUJHURYMGF-RDBSUJKOSA-N 2 0 334.489 3.036 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397636994 457490345 /nfs/dbraw/zinc/49/03/45/457490345.db2.gz QLBQLPOBZBRJLC-UHFFFAOYSA-N 2 0 338.495 3.420 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)C[C@H]2CCCCO2)CC1 ZINC000352681234 457525593 /nfs/dbraw/zinc/52/55/93/457525593.db2.gz LERXHPLCOVRRKY-HXUWFJFHSA-N 2 0 345.531 3.220 10 0 EGAERP CCCCOC(=O)[C@H](C)N1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000374320161 457583208 /nfs/dbraw/zinc/58/32/08/457583208.db2.gz GCUIBDKWGPAFDC-JKSUJKDBSA-N 2 0 333.476 3.131 10 0 EGAERP CC[NH+]1CCC(CCNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000433381657 457826603 /nfs/dbraw/zinc/82/66/03/457826603.db2.gz KZTKQMHESTYBIP-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361757615 457838641 /nfs/dbraw/zinc/83/86/41/457838641.db2.gz YTYYBKCXQKZVMV-INIZCTEOSA-N 2 0 341.503 3.348 10 0 EGAERP CN1CC[C@@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@H]1c1ccccc1 ZINC000411701733 457954722 /nfs/dbraw/zinc/95/47/22/457954722.db2.gz YHVFOQNOSUMKTI-TZIWHRDSSA-N 2 0 343.515 3.108 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000375897470 458114241 /nfs/dbraw/zinc/11/42/41/458114241.db2.gz HZXBPGCOGMJXLH-AABGKKOBSA-N 2 0 344.499 3.363 10 0 EGAERP Cc1cnccc1OC1CCN(CC(=O)Nc2ccccc2F)CC1 ZINC000429726398 458364197 /nfs/dbraw/zinc/36/41/97/458364197.db2.gz REUMSKJTLUIOEV-UHFFFAOYSA-N 2 0 343.402 3.011 10 0 EGAERP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@@H]1c1cccs1 ZINC000459439469 458370784 /nfs/dbraw/zinc/37/07/84/458370784.db2.gz TZTXAXCOOOEXNW-HNAYVOBHSA-N 2 0 333.545 3.347 10 0 EGAERP CC[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc(C)ccc1OC ZINC000423501380 458444504 /nfs/dbraw/zinc/44/45/04/458444504.db2.gz CRTBIHJCGFCUNT-AFMYVXGZSA-N 2 0 345.531 3.261 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2c(s1)CCCC2 ZINC000423509695 458447508 /nfs/dbraw/zinc/44/75/08/458447508.db2.gz LWZMQDKROMHHGP-FAEJEUNOSA-N 2 0 347.572 3.494 10 0 EGAERP CC(C)[C@H](CCc1ccccc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519431 458450446 /nfs/dbraw/zinc/45/04/46/458450446.db2.gz PTFFJCFRRVKTBB-HRTMPFAESA-N 2 0 343.559 3.450 10 0 EGAERP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000377799639 458532761 /nfs/dbraw/zinc/53/27/61/458532761.db2.gz XFRXRLBESGPWPQ-OKYOBFRVSA-N 2 0 336.483 3.052 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)N[C@H]2CC[NH2+]C23CCC3)c(Cl)c1 ZINC000530176085 458708384 /nfs/dbraw/zinc/70/83/84/458708384.db2.gz BAZGXOMTTYTLTA-CJNGLKHVSA-N 2 0 335.879 3.240 10 0 EGAERP CC(C)Oc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530240381 458727286 /nfs/dbraw/zinc/72/72/86/458727286.db2.gz LIAKYRPNNBDTSO-IBGZPJMESA-N 2 0 332.488 3.064 10 0 EGAERP C[C@@H]1C[N@H+](CCC[NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CCCO1 ZINC000432432835 458739464 /nfs/dbraw/zinc/73/94/64/458739464.db2.gz YUBBZDAVUIPPIA-DYXWJJEUSA-N 2 0 346.515 3.245 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000566482152 458947328 /nfs/dbraw/zinc/94/73/28/458947328.db2.gz MMFBYRKSFZVOCM-QGWWYQLQSA-N 2 0 337.458 3.348 10 0 EGAERP C[C@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[NH+](C)C ZINC000531962604 459007698 /nfs/dbraw/zinc/00/76/98/459007698.db2.gz SJZGAWGDIUHLGC-OAHLLOKOSA-N 2 0 339.911 3.008 10 0 EGAERP c1ccc(-c2n[nH]c([C@@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000577595132 459058238 /nfs/dbraw/zinc/05/82/38/459058238.db2.gz WZQIWDYXEZORLK-SJLPKXTDSA-N 2 0 339.487 3.041 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)C1 ZINC000557481960 459076627 /nfs/dbraw/zinc/07/66/27/459076627.db2.gz VYOSEBLACHDHLT-AWEZNQCLSA-N 2 0 326.444 3.043 10 0 EGAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476293 459094542 /nfs/dbraw/zinc/09/45/42/459094542.db2.gz STUVFPQKNSTSKH-DNVCBOLYSA-N 2 0 329.488 3.245 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCCCC1 ZINC000480265709 459190225 /nfs/dbraw/zinc/19/02/25/459190225.db2.gz NSEAXRXTXQLOKW-PZJWPPBQSA-N 2 0 329.532 3.363 10 0 EGAERP Cc1ccc(C)c([C@H]2C[N@H+](CCCc3cncn3C)[C@H](C)CO2)c1 ZINC000568527029 459303900 /nfs/dbraw/zinc/30/39/00/459303900.db2.gz OERNYWCFRHZZQJ-YLJYHZDGSA-N 2 0 327.472 3.432 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CCCCC1 ZINC000483213607 459351684 /nfs/dbraw/zinc/35/16/84/459351684.db2.gz VYOUVRFNLJORLX-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc2c(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@H]43)cn(C)c2c1 ZINC000569132003 459402901 /nfs/dbraw/zinc/40/29/01/459402901.db2.gz NGOMCLPUOHOLOW-ZCNNSNEGSA-N 2 0 325.500 3.492 10 0 EGAERP CC(C)CCN(CCC(C)C)C(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000484925715 459435611 /nfs/dbraw/zinc/43/56/11/459435611.db2.gz OQRQNOCGTAZTKT-MOPGFXCFSA-N 2 0 339.568 3.322 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000569434404 459449594 /nfs/dbraw/zinc/44/95/94/459449594.db2.gz JXRGTZDPTKHMSZ-UYAOXDASSA-N 2 0 329.532 3.013 10 0 EGAERP C[NH+](C)[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380941 459529015 /nfs/dbraw/zinc/52/90/15/459529015.db2.gz NTZIASFJKJQXDH-WOJBJXKFSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C[N@@H+]1C1CC1 ZINC000563120618 459717580 /nfs/dbraw/zinc/71/75/80/459717580.db2.gz AJENZUFOUJCFGL-YZGWKJHDSA-N 2 0 339.527 3.398 10 0 EGAERP Cn1ccnc1CN[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1 ZINC000527810127 459745304 /nfs/dbraw/zinc/74/53/04/459745304.db2.gz OFIIENXSUZVAMT-CQSZACIVSA-N 2 0 327.259 3.119 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCCn2ccnc2)CC1 ZINC000574268247 459798674 /nfs/dbraw/zinc/79/86/74/459798674.db2.gz UQHUXTSJSZSZJZ-IBGZPJMESA-N 2 0 340.515 3.349 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000593322633 459841319 /nfs/dbraw/zinc/84/13/19/459841319.db2.gz OLNYKQIYWRCDFN-CEXWTWQISA-N 2 0 334.529 3.281 10 0 EGAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]CCN2CC=C(C)CC2)c1C ZINC000545868481 459864027 /nfs/dbraw/zinc/86/40/27/459864027.db2.gz NYWWAORGYOXJPG-QGZVFWFLSA-N 2 0 329.488 3.262 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)CCC2 ZINC000597200248 459874019 /nfs/dbraw/zinc/87/40/19/459874019.db2.gz HSEPHXHDWLGSFL-GOSISDBHSA-N 2 0 344.499 3.356 10 0 EGAERP CCC[NH+]1CCC([NH2+]C[C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000597202176 459875573 /nfs/dbraw/zinc/87/55/73/459875573.db2.gz SXPBEIAHEKQLQR-GOSISDBHSA-N 2 0 344.499 3.357 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@H+]2[C@H](C)CCC[C@@H]2C)o1 ZINC000593870616 460007165 /nfs/dbraw/zinc/00/71/65/460007165.db2.gz UHDFDTLQXPZRLP-IYBDPMFKSA-N 2 0 335.492 3.114 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)Nc2cccc(C[NH+](C)C)c2)cc1 ZINC000623063773 460401106 /nfs/dbraw/zinc/40/11/06/460401106.db2.gz LHGDANYVJLNLRS-AWEZNQCLSA-N 2 0 326.444 3.090 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(F)c(F)c2N(C)C)CC1 ZINC000623402811 460531207 /nfs/dbraw/zinc/53/12/07/460531207.db2.gz AKZSJKXUGDVEJZ-UHFFFAOYSA-N 2 0 325.447 3.242 10 0 EGAERP Cc1cc(CNC2C[C@H]3CCC[C@@H](C2)[N@H+]3C)ncc1Br ZINC000623432884 460546705 /nfs/dbraw/zinc/54/67/05/460546705.db2.gz OSEUTOQJBRQEPX-LQDVMPOASA-N 2 0 338.293 3.257 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CCC[NH+](CC)CC)CC2)CC[N@@H+]1C ZINC000632388314 460736529 /nfs/dbraw/zinc/73/65/29/460736529.db2.gz JEECFGFPODKCIJ-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@@H]1CCCCO1 ZINC000623875125 460756860 /nfs/dbraw/zinc/75/68/60/460756860.db2.gz YNSXLPSWUVHHBC-CTNGQTDRSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1nc(-c2ccc(F)cc2)sc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629542482 460801533 /nfs/dbraw/zinc/80/15/33/460801533.db2.gz YYDHOFZOBLOWNJ-LBPRGKRZSA-N 2 0 337.464 3.274 10 0 EGAERP Fc1cc2[nH]cc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@H]4C3)c2cc1Cl ZINC000629545369 460802229 /nfs/dbraw/zinc/80/22/29/460802229.db2.gz KGEOQFWMQMCENG-IACUBPJLSA-N 2 0 335.854 3.481 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](c3nc([C@H]4CCC[NH2+]4)no3)[C@H](C3CC3)C2)cc1 ZINC000629675338 460862771 /nfs/dbraw/zinc/86/27/71/460862771.db2.gz QFRLGHKIAQWKBE-RCCFBDPRSA-N 2 0 338.455 3.120 10 0 EGAERP C[N@@H+]1CCC[C@@H](N2CC[NH+](CCCCc3cccc(Cl)c3)CC2)C1 ZINC000621266862 460967567 /nfs/dbraw/zinc/96/75/67/460967567.db2.gz CRTNNBFXNVIXJR-HXUWFJFHSA-N 2 0 349.950 3.375 10 0 EGAERP Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363785 461157815 /nfs/dbraw/zinc/15/78/15/461157815.db2.gz NLEOOFIYVOJKFB-GUDVDZBRSA-N 2 0 332.488 3.043 10 0 EGAERP c1ccc(C[C@H]2c3ccccc3CC[N@H+]2C[C@@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662279514 461162132 /nfs/dbraw/zinc/16/21/32/461162132.db2.gz KUANLRCBOXZTHJ-UNMCSNQZSA-N 2 0 348.490 3.350 10 0 EGAERP C[NH+](C)CCC[C@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CCO1 ZINC000662321203 461189225 /nfs/dbraw/zinc/18/92/25/461189225.db2.gz ZIRZXZITVKIGFM-SFHVURJKSA-N 2 0 340.895 3.152 10 0 EGAERP [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662564033 461298056 /nfs/dbraw/zinc/29/80/56/461298056.db2.gz UVNSVDDJUWKATD-LJQANCHMSA-N 2 0 343.515 3.046 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000655688084 461364187 /nfs/dbraw/zinc/36/41/87/461364187.db2.gz JYTQPFOYCFJORO-RLLQIKCJSA-N 2 0 347.572 3.239 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]([C@@H]2CCCCO2)C1 ZINC000668630250 461364360 /nfs/dbraw/zinc/36/43/60/461364360.db2.gz HWBKHSUXRCFEKO-PXNSSMCTSA-N 2 0 340.471 3.357 10 0 EGAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000646697064 461374444 /nfs/dbraw/zinc/37/44/44/461374444.db2.gz SSXRTFGVIZKFNF-CEXWTWQISA-N 2 0 331.504 3.224 10 0 EGAERP CC(C)C[C@@H](C[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1)c1ccccc1 ZINC000668740725 461410123 /nfs/dbraw/zinc/41/01/23/461410123.db2.gz WTEAROBIIRZVFJ-PZJWPPBQSA-N 2 0 330.516 3.347 10 0 EGAERP COc1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000655803215 461463454 /nfs/dbraw/zinc/46/34/54/461463454.db2.gz NMZMNDGOLVZEON-VPWXQRGCSA-N 2 0 325.456 3.109 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H]2CCc3cccc(Br)c3C2)C1 ZINC000655804093 461463528 /nfs/dbraw/zinc/46/35/28/461463528.db2.gz OXGTWKINLCSIGR-AEGPPILISA-N 2 0 337.305 3.236 10 0 EGAERP CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OC(F)F ZINC000655825625 461479589 /nfs/dbraw/zinc/47/95/89/461479589.db2.gz KQRFNCHWTAJEGI-OKILXGFUSA-N 2 0 328.403 3.117 10 0 EGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]Cc3oc4ccccc4c3Cl)C2)CC1 ZINC000631070446 461522111 /nfs/dbraw/zinc/52/21/11/461522111.db2.gz YSFKDKJAOBPMAG-CQSZACIVSA-N 2 0 347.890 3.344 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000647167674 461538889 /nfs/dbraw/zinc/53/88/89/461538889.db2.gz OGIPRTKWIMUEQL-PMACEKPBSA-N 2 0 327.516 3.258 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCCc2c(F)cccc2F)C1 ZINC000655941817 461547926 /nfs/dbraw/zinc/54/79/26/461547926.db2.gz DGXPIBPCUKSPJP-MDASCCDHSA-N 2 0 338.442 3.258 10 0 EGAERP COc1cc(C)c(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c(C)n1 ZINC000647249429 461588219 /nfs/dbraw/zinc/58/82/19/461588219.db2.gz ZYYBOUWVBLBGGX-QUCCMNQESA-N 2 0 339.483 3.142 10 0 EGAERP CC[N@H+](CCC1CC[NH+](C[C@H](OC)[C@@H]2CCOC2)CC1)CC(C)C ZINC000660172311 461618990 /nfs/dbraw/zinc/61/89/90/461618990.db2.gz PKJRIVKKJIZAMH-UXHICEINSA-N 2 0 340.552 3.118 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663503113 461676079 /nfs/dbraw/zinc/67/60/79/461676079.db2.gz OBJGXFZWJPQCBM-CZUORRHYSA-N 2 0 325.884 3.329 10 0 EGAERP CCC[C@@H](C[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000663503772 461676126 /nfs/dbraw/zinc/67/61/26/461676126.db2.gz MDRCBKROJQMHBA-IBGZPJMESA-N 2 0 345.531 3.151 10 0 EGAERP Cc1ccc(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479367 461724921 /nfs/dbraw/zinc/72/49/21/461724921.db2.gz DMJFOLVUZJNDBC-RXVVDRJESA-N 2 0 338.499 3.360 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c1 ZINC000647480403 461726889 /nfs/dbraw/zinc/72/68/89/461726889.db2.gz MHSBACBUFSYVGY-QUCCMNQESA-N 2 0 332.488 3.066 10 0 EGAERP CCOc1ccc([C@@H](C)[NH2+]CCCN2CC[NH+](C(C)C)CC2)cc1 ZINC000669691878 461768756 /nfs/dbraw/zinc/76/87/56/461768756.db2.gz WANVKBVWSZTWPC-GOSISDBHSA-N 2 0 333.520 3.152 10 0 EGAERP COc1cc2cc[nH+]c(N3CCC[C@@H]([NH+](C)C)CC3)c2cc1OC ZINC000663844496 461833857 /nfs/dbraw/zinc/83/38/57/461833857.db2.gz WQXQFNQNKLJEQQ-OAHLLOKOSA-N 2 0 329.444 3.173 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901601 461877241 /nfs/dbraw/zinc/87/72/41/461877241.db2.gz RDYCMDNQFMIDGK-HZPDHXFCSA-N 2 0 347.528 3.201 10 0 EGAERP Brc1cncc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656781944 461892788 /nfs/dbraw/zinc/89/27/88/461892788.db2.gz ANEXJIGNNIWUPO-HNNXBMFYSA-N 2 0 338.293 3.056 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccc(N)c2)CC1 ZINC000656787205 461897707 /nfs/dbraw/zinc/89/77/07/461897707.db2.gz GSWKWNNXXXJKKG-UHFFFAOYSA-N 2 0 338.499 3.091 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000650719603 461911307 /nfs/dbraw/zinc/91/13/07/461911307.db2.gz VOYQRVDGTJNYOR-HNNXBMFYSA-N 2 0 326.440 3.246 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C ZINC000650758368 461938483 /nfs/dbraw/zinc/93/84/83/461938483.db2.gz OBPDTWBBSZKRSB-GCJKJVERSA-N 3 0 337.511 3.406 10 0 EGAERP CCCCOc1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071592 461968155 /nfs/dbraw/zinc/96/81/55/461968155.db2.gz JUUAVQWESPKZOG-UHFFFAOYSA-N 2 0 332.488 3.162 10 0 EGAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2c(C(F)(F)F)cnn2C)C1 ZINC000657313851 462037695 /nfs/dbraw/zinc/03/76/95/462037695.db2.gz VXUAVOAIDCGJFD-KBPBESRZSA-N 2 0 346.441 3.287 10 0 EGAERP C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@H]1Oc2ccccc2[C@@H]1C ZINC000657391218 462091976 /nfs/dbraw/zinc/09/19/76/462091976.db2.gz JNIKNZIJBWJWIE-AVYPCKFXSA-N 2 0 334.423 3.310 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657432632 462119115 /nfs/dbraw/zinc/11/91/15/462119115.db2.gz ULYALDYMJDUPKS-WRTQPQOASA-N 2 0 328.500 3.444 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000648481985 462139985 /nfs/dbraw/zinc/13/99/85/462139985.db2.gz YEQLZAXXFOVFHP-YSIASYRMSA-N 2 0 330.516 3.223 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4cnccc43)cc2)C1 ZINC000657595650 462196817 /nfs/dbraw/zinc/19/68/17/462196817.db2.gz JBQJGBLEHIXICC-OAQYLSRUSA-N 2 0 347.462 3.091 10 0 EGAERP Cc1cc(C)c(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)c1 ZINC000657596498 462196891 /nfs/dbraw/zinc/19/68/91/462196891.db2.gz XATKFMQKTWLRKO-OAQYLSRUSA-N 2 0 338.495 3.468 10 0 EGAERP [NH3+]Cc1cccc(NC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000667732993 462236564 /nfs/dbraw/zinc/23/65/64/462236564.db2.gz ZDMFGBCZIULOPV-UHFFFAOYSA-N 2 0 338.455 3.063 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667789112 462262715 /nfs/dbraw/zinc/26/27/15/462262715.db2.gz FGHKUJUPNWQMTM-ICSRJNTNSA-N 2 0 332.488 3.064 10 0 EGAERP CC1(C)OCC[C@@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657785316 462264213 /nfs/dbraw/zinc/26/42/13/462264213.db2.gz FZVKSLAIKPWMDE-GOSISDBHSA-N 2 0 332.488 3.066 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651674214 462299461 /nfs/dbraw/zinc/29/94/61/462299461.db2.gz GZOFGAGGSOSVOB-HNNXBMFYSA-N 2 0 339.886 3.082 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C(C)(C)C(F)F ZINC000657891708 462309692 /nfs/dbraw/zinc/30/96/92/462309692.db2.gz ILTUFCALBVLJTM-OAHLLOKOSA-N 2 0 331.495 3.206 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651765446 462329932 /nfs/dbraw/zinc/32/99/32/462329932.db2.gz RNOMZKOHJNWFPL-BBRMVZONSA-N 2 0 339.886 3.082 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)NCCN(C)CCC[NH+](C)C ZINC000665164746 462335985 /nfs/dbraw/zinc/33/59/85/462335985.db2.gz YYVKMFBZYVAXSQ-UHFFFAOYSA-N 2 0 334.508 3.123 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972934 462354919 /nfs/dbraw/zinc/35/49/19/462354919.db2.gz CFEGRIWUZOLTIL-WHZJULEDSA-N 2 0 326.484 3.054 10 0 EGAERP c1ccc(C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CC2)cc1 ZINC000658067315 462364767 /nfs/dbraw/zinc/36/47/67/462364767.db2.gz LWTVBYBODVYMAX-QFIPXVFZSA-N 2 0 342.527 3.488 10 0 EGAERP COc1cccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000658068596 462366175 /nfs/dbraw/zinc/36/61/75/462366175.db2.gz GQXGKTNNBUXEPH-MRXNPFEDSA-N 2 0 332.488 3.237 10 0 EGAERP CC[N@H+](CCCNCc1ccnn1-c1ccccn1)C1CCCCC1 ZINC000651910571 462376864 /nfs/dbraw/zinc/37/68/64/462376864.db2.gz ZKJVNUOZSJIVGK-UHFFFAOYSA-N 2 0 341.503 3.402 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CCC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665276577 462379906 /nfs/dbraw/zinc/37/99/06/462379906.db2.gz GWAXJUPAIKATSC-VQTJNVASSA-N 3 0 327.516 3.020 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc3ccccc3o2)CC1 ZINC000665285690 462384229 /nfs/dbraw/zinc/38/42/29/462384229.db2.gz UGQFRXCCSZSNLJ-OAHLLOKOSA-N 2 0 343.471 3.074 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](c2ccc(C)cc2)C2CC2)CC1 ZINC000665287240 462385287 /nfs/dbraw/zinc/38/52/87/462385287.db2.gz GHNHUDXNKGXBLW-NRFANRHFSA-N 2 0 343.515 3.026 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103313 462385413 /nfs/dbraw/zinc/38/54/13/462385413.db2.gz USSYWJBYEMOOOW-JYPHPWERSA-N 2 0 339.487 3.317 10 0 EGAERP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137048 462400923 /nfs/dbraw/zinc/40/09/23/462400923.db2.gz IMHYJLBTLXADBT-OXQOHEQNSA-N 2 0 339.483 3.061 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144520 462407470 /nfs/dbraw/zinc/40/74/70/462407470.db2.gz MMQSJUBTLZCPDZ-YWZLYKJASA-N 2 0 328.431 3.243 10 0 EGAERP C[C@H](CCSc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153094 462532359 /nfs/dbraw/zinc/53/23/59/462532359.db2.gz NQJMTLATIRMVQL-SJLPKXTDSA-N 2 0 334.529 3.088 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000164028309 546977371 /nfs/dbraw/zinc/97/73/71/546977371.db2.gz GKPIWCNWEXNIDE-GOSISDBHSA-N 3 0 329.532 3.492 10 0 EGAERP c1cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)ccc1C[NH+]1C[C@@H]2C[C@H]1CS2 ZINC000459784545 547943869 /nfs/dbraw/zinc/94/38/69/547943869.db2.gz AFBLIDXYPTZXIC-XSLAGTTESA-N 2 0 332.538 3.066 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000671312846 548277719 /nfs/dbraw/zinc/27/77/19/548277719.db2.gz XOEAJLGAIXBQRI-NRFANRHFSA-N 2 0 344.499 3.164 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H]2CCC[C@@H]21 ZINC000671746449 548351136 /nfs/dbraw/zinc/35/11/36/548351136.db2.gz MRQPIXIVFPZOBQ-LMSBXDPUSA-N 2 0 335.442 3.006 10 0 EGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)CCCO2 ZINC000675742115 548971552 /nfs/dbraw/zinc/97/15/52/548971552.db2.gz KGLDTZZQOQAZLT-IBGZPJMESA-N 2 0 345.531 3.133 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)CC1 ZINC000675818683 548988165 /nfs/dbraw/zinc/98/81/65/548988165.db2.gz HEAYNFZMBYMQRF-AWEZNQCLSA-N 2 0 333.476 3.036 10 0 EGAERP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@H]2CCC[N@@H+]2C)CC1 ZINC000678079676 549391784 /nfs/dbraw/zinc/39/17/84/549391784.db2.gz VMNSKGWBCIGYET-IEBWSBKVSA-N 2 0 327.516 3.386 10 0 EGAERP CC[N@@H+]1CC[C@@H](Nc2ccccc2C[NH+]2CCC(CO)CC2)[C@@H](C)C1 ZINC000221870805 564036528 /nfs/dbraw/zinc/03/65/28/564036528.db2.gz XEUIBHBBSPOBQM-FXAWDEMLSA-N 2 0 345.531 3.033 10 0 EGAERP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc4ccccc4c3)CC2)CC1 ZINC000051189748 1291667186 /nfs/dbraw/zinc/66/71/86/1291667186.db2.gz DBLIFEACXIJGDE-UHFFFAOYSA-N 2 0 337.511 3.488 10 0 EGAERP CCOc1c(Cl)cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1OC ZINC000075780827 1292410959 /nfs/dbraw/zinc/41/09/59/1292410959.db2.gz FKCCHKUXMMFKNV-ZDUSSCGKSA-N 2 0 338.879 3.321 10 0 EGAERP [NH3+]C[C@@H]1[C@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1(F)F ZINC000871782510 1296529759 /nfs/dbraw/zinc/52/97/59/1296529759.db2.gz RDGLZORHJRKKOL-HUUCEWRRSA-N 2 0 348.397 3.030 10 0 EGAERP CC(C)[NH+]1CCC2(CC1)C[N@@H+](C1CCOCC1)Cc1ccccc1O2 ZINC000257190023 1296585448 /nfs/dbraw/zinc/58/54/48/1296585448.db2.gz KUPSZIYQSCNQIN-UHFFFAOYSA-N 2 0 344.499 3.303 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000872110400 1296736495 /nfs/dbraw/zinc/73/64/95/1296736495.db2.gz YQOLSPCUTXFJLD-MFHCWRBVSA-N 2 0 332.488 3.235 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C ZINC000309924581 1297081972 /nfs/dbraw/zinc/08/19/72/1297081972.db2.gz SKFZEJCEZPQJCO-CVEARBPZSA-N 2 0 329.529 3.247 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC12CCC2 ZINC000310055678 1297086655 /nfs/dbraw/zinc/08/66/55/1297086655.db2.gz GAJVGWNDDZZUGE-JYJNAYRXSA-N 2 0 337.508 3.168 10 0 EGAERP c1c(C[NH2+]CC[C@@H]2CCc3ccccc3N2)sc2c1C[NH2+]CC2 ZINC000873213516 1297356242 /nfs/dbraw/zinc/35/62/42/1297356242.db2.gz GALCDVJTYKIGPO-INIZCTEOSA-N 2 0 327.497 3.300 10 0 EGAERP Brc1cncc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232584 1297375165 /nfs/dbraw/zinc/37/51/65/1297375165.db2.gz HRKOYHWDOGUDOT-HNNXBMFYSA-N 2 0 338.293 3.246 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000382730306 1297562732 /nfs/dbraw/zinc/56/27/32/1297562732.db2.gz AAGZYBXQFSUJTM-SFHVURJKSA-N 2 0 335.495 3.039 10 0 EGAERP c1ccc(C[NH+]2C[C@@H]3CN(CCC[NH2+]C4CCCCC4)C[C@H]3C2)cc1 ZINC000706608059 1298223058 /nfs/dbraw/zinc/22/30/58/1298223058.db2.gz LHEIEZZOIHMEFS-SFTDATJTSA-N 2 0 341.543 3.363 10 0 EGAERP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000708037472 1298233705 /nfs/dbraw/zinc/23/37/05/1298233705.db2.gz BEXJNRNPXUKEGW-IFFWXDDJSA-N 2 0 339.524 3.285 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000709324746 1298248331 /nfs/dbraw/zinc/24/83/31/1298248331.db2.gz KHYJOADXIOLZJX-RDJZCZTQSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@H]1CCOCC[NH+]1CC(C[N@H+]1CCOCC[C@@H]1C)C1CCCC1 ZINC000878373487 1299954257 /nfs/dbraw/zinc/95/42/57/1299954257.db2.gz MMAZKFHSHGDEMV-ROUUACIJSA-N 2 0 338.536 3.014 10 0 EGAERP c1cc(N2CC[NH+]3CCC[C@@H]3C2)ccc1N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000883346656 1302404937 /nfs/dbraw/zinc/40/49/37/1302404937.db2.gz DTLTZLFEXGMEQE-SESVDKBCSA-N 2 0 340.515 3.010 10 0 EGAERP O[C@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1F ZINC000886234043 1303406906 /nfs/dbraw/zinc/40/69/06/1303406906.db2.gz DVAWLLFYSZMLKI-IBGZPJMESA-N 2 0 334.479 3.116 10 0 EGAERP CC[C@H](C)[C@@](C)(O)C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886526094 1303486727 /nfs/dbraw/zinc/48/67/27/1303486727.db2.gz FDCDPLKFHRWVAD-MQBSTWLZSA-N 2 0 330.516 3.426 10 0 EGAERP C[C@@](O)(C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2)c1ccco1 ZINC000886532214 1303489212 /nfs/dbraw/zinc/48/92/12/1303489212.db2.gz GDTSHWCFYIBKTP-VNYTWHDVSA-N 2 0 340.467 3.130 10 0 EGAERP C[C@H](CC(=O)O[C@@H](C[N@H+](C)Cc1ccccc1)C1CC1)n1ccnc1 ZINC000893696353 1306033771 /nfs/dbraw/zinc/03/37/71/1306033771.db2.gz GWMSKLNGVGDBAI-APWZRJJASA-N 2 0 341.455 3.288 10 0 EGAERP COc1cc(C)cc(CN2CC[C@H](C[NH+]3CCCCC3)C2)c1OC ZINC000894052211 1306192217 /nfs/dbraw/zinc/19/22/17/1306192217.db2.gz BICRWZANULAYOB-QGZVFWFLSA-N 2 0 332.488 3.320 10 0 EGAERP CCOCOc1ccc(C[N@@H+]2CCN(c3cc[nH+]cc3)[C@@H](C)C2)cc1 ZINC000895555729 1309399489 /nfs/dbraw/zinc/39/94/89/1309399489.db2.gz BSYSYUZRGZPKCU-KRWDZBQOSA-N 2 0 341.455 3.165 10 0 EGAERP c1cnc2ccc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000896291416 1309789266 /nfs/dbraw/zinc/78/92/66/1309789266.db2.gz YWPITYPKLDJFBH-UHFFFAOYSA-N 2 0 332.451 3.431 10 0 EGAERP CC[C@@H](C(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1)[NH+](C)C ZINC000899672080 1317128586 /nfs/dbraw/zinc/12/85/86/1317128586.db2.gz PFMNDDRCIOQZKJ-AWEZNQCLSA-N 2 0 331.382 3.046 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1(C)C ZINC000858111864 1328686019 /nfs/dbraw/zinc/68/60/19/1328686019.db2.gz WHJXEFDMPUPULJ-HOTGVXAUSA-N 2 0 339.524 3.238 10 0 EGAERP CC(C)N(CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858129710 1328690297 /nfs/dbraw/zinc/69/02/97/1328690297.db2.gz PEUQZYMCRDYKPH-INIZCTEOSA-N 2 0 341.540 3.484 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858131565 1328690397 /nfs/dbraw/zinc/69/03/97/1328690397.db2.gz ZKRRBEOQJIOAAT-CVEARBPZSA-N 2 0 339.524 3.096 10 0 EGAERP CCc1nc(CN2CCC(C[NH2+]Cc3ccnc(F)c3)CC2)cs1 ZINC000858132858 1328690581 /nfs/dbraw/zinc/69/05/81/1328690581.db2.gz GMNSYNFZWYXZIH-UHFFFAOYSA-N 2 0 348.491 3.241 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C2CCC(NC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858143363 1328694676 /nfs/dbraw/zinc/69/46/76/1328694676.db2.gz WMZMVHIKJVYSIH-UYSNPLJNSA-N 2 0 339.524 3.285 10 0 EGAERP C[C@H]1C[C@H]([N@H+](C)C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CCN1C ZINC000929779500 1328697886 /nfs/dbraw/zinc/69/78/86/1328697886.db2.gz ANISSMRJOURMQM-VVLHAWIVSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858169705 1328701963 /nfs/dbraw/zinc/70/19/63/1328701963.db2.gz AWBAYBLZUXXVNE-GJZGRUSLSA-N 2 0 327.513 3.142 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CC[C@H](CNC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858173587 1328703283 /nfs/dbraw/zinc/70/32/83/1328703283.db2.gz GJVLTNLQEQAWCX-XHSDSOJGSA-N 2 0 339.524 3.142 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000858194620 1328708534 /nfs/dbraw/zinc/70/85/34/1328708534.db2.gz ICRFKZSSAVEAQZ-IUODEOHRSA-N 2 0 331.287 3.489 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000858504334 1328782487 /nfs/dbraw/zinc/78/24/87/1328782487.db2.gz PQAQOWWFQWLZCT-AYOQOUSVSA-N 2 0 334.504 3.271 10 0 EGAERP FC(F)(F)[C@H]1CCC[C@@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000930806344 1328976660 /nfs/dbraw/zinc/97/66/60/1328976660.db2.gz PCCAELOQVPTHIS-JKSUJKDBSA-N 2 0 343.393 3.094 10 0 EGAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2nc(Br)c[nH]2)C1 ZINC000921543266 1322346282 /nfs/dbraw/zinc/34/62/82/1322346282.db2.gz QBTLQCIZFCRIAO-STQMWFEESA-N 2 0 343.313 3.020 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+]C[C@H](C)CN2CC[NH+](C)CC2)c1Cl ZINC000921685609 1322377581 /nfs/dbraw/zinc/37/75/81/1322377581.db2.gz IRXYBXWADIAKIT-ZDUSSCGKSA-N 2 0 344.330 3.275 10 0 EGAERP C[NH+](C)Cc1cc(CNCc2c(Cl)n[nH]c2C2CC2)ccc1F ZINC000921746292 1322390542 /nfs/dbraw/zinc/39/05/42/1322390542.db2.gz YTPVBJGAMRAGKY-UHFFFAOYSA-N 2 0 336.842 3.431 10 0 EGAERP CCCC[N@H+](C[C@@H](OC)[C@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034349 1329033871 /nfs/dbraw/zinc/03/38/71/1329033871.db2.gz ROYAKBUCUNDAAF-FUHWJXTLSA-N 2 0 340.552 3.449 10 0 EGAERP c1cc(C[NH2+]CC[C@@H]2OCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000922957962 1322660939 /nfs/dbraw/zinc/66/09/39/1322660939.db2.gz LVZYUALJIHLGFE-FQEVSTJZSA-N 2 0 334.423 3.061 10 0 EGAERP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923376709 1322741873 /nfs/dbraw/zinc/74/18/73/1322741873.db2.gz DYCGLWLXKOYRKV-QZTJIDSGSA-N 2 0 342.508 3.308 10 0 EGAERP C[C@@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@@H]1C[NH3+] ZINC000923494430 1322761804 /nfs/dbraw/zinc/76/18/04/1322761804.db2.gz MUQKPKBBMMIRPI-NVXWUHKLSA-N 2 0 329.513 3.345 10 0 EGAERP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923498604 1322762226 /nfs/dbraw/zinc/76/22/26/1322762226.db2.gz HTZYILPUEIVJEZ-DZGCQCFKSA-N 2 0 332.879 3.251 10 0 EGAERP C[C@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@H]1C[NH3+] ZINC000923502463 1322763244 /nfs/dbraw/zinc/76/32/44/1322763244.db2.gz ZHSKRBRDLSJYBT-RYUDHWBXSA-N 2 0 344.286 3.239 10 0 EGAERP C[C@H]1C[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@H]1C[NH3+] ZINC000923510871 1322766179 /nfs/dbraw/zinc/76/61/79/1322766179.db2.gz XTFBPHCBPPRFOE-LPHOPBHVSA-N 2 0 337.467 3.209 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccc(C[NH2+][C@@H]3[C@@H](C)COC[C@H]3C)cc2)C[C@@H](C)O1 ZINC000924609430 1323073999 /nfs/dbraw/zinc/07/39/99/1323073999.db2.gz HHDPNKCOJWDTOU-KSZKVXGTSA-N 2 0 346.515 3.056 10 0 EGAERP C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@H+](CCCn1ccnc1)C2 ZINC000931217389 1329072847 /nfs/dbraw/zinc/07/28/47/1329072847.db2.gz ORRPEROLXJOMSU-OYRHEFFESA-N 2 0 338.499 3.117 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000924960761 1323228854 /nfs/dbraw/zinc/22/88/54/1323228854.db2.gz RVYAZHUOEFZCNC-WSTZPKSXSA-N 2 0 332.536 3.150 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000925027944 1323249452 /nfs/dbraw/zinc/24/94/52/1323249452.db2.gz JKBSUUPXAGKXFH-SFTDATJTSA-N 2 0 346.515 3.312 10 0 EGAERP Cn1cc(C[C@@H]2CCC[C@@H]2[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000925075998 1323268943 /nfs/dbraw/zinc/26/89/43/1323268943.db2.gz VKLAXVRHAYNPQZ-PXNSSMCTSA-N 2 0 344.478 3.122 10 0 EGAERP C[C@@H]1OC[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000925224341 1325086967 /nfs/dbraw/zinc/08/69/67/1325086967.db2.gz ZOQYTUZADCFMSZ-LVCYWYKZSA-N 2 0 346.515 3.071 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@H](c2ccccn2)C2CCC2)C[C@H](C)O1 ZINC000925440830 1325150678 /nfs/dbraw/zinc/15/06/78/1325150678.db2.gz VOQIPSMMYBXTMF-QKLQHJQFSA-N 2 0 331.504 3.402 10 0 EGAERP COc1ccccc1[C@H](CN[C@H]1C[C@H]([NH3+])C12CCC2)[NH+]1CCCCC1 ZINC000925481257 1325169016 /nfs/dbraw/zinc/16/90/16/1325169016.db2.gz IUWSLPWSILMPEW-IHPCNDPISA-N 2 0 343.515 3.082 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(OC)c1 ZINC000925513754 1325186108 /nfs/dbraw/zinc/18/61/08/1325186108.db2.gz AUKIGKMJQMZGRZ-OALUTQOASA-N 2 0 332.488 3.004 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530071 1325193809 /nfs/dbraw/zinc/19/38/09/1325193809.db2.gz BESKLWRAUJXXED-CEXWTWQISA-N 3 0 347.572 3.326 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925558774 1325208507 /nfs/dbraw/zinc/20/85/07/1325208507.db2.gz RDKHZPAZVBJXQF-ZIAGYGMSSA-N 2 0 342.430 3.335 10 0 EGAERP CC1(C)[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925566677 1325213536 /nfs/dbraw/zinc/21/35/36/1325213536.db2.gz KYSIFTKFPJHXCT-JEBQAFNWSA-N 2 0 333.545 3.321 10 0 EGAERP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925584035 1325220405 /nfs/dbraw/zinc/22/04/05/1325220405.db2.gz OWCVXJZYJBWENB-ONERCXAPSA-N 2 0 341.268 3.379 10 0 EGAERP CC1(C)C[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C[C@@H]([NH3+])C1 ZINC000925603784 1325228810 /nfs/dbraw/zinc/22/88/10/1325228810.db2.gz RNOHGLPYKOHUKP-QUCCMNQESA-N 2 0 345.531 3.209 10 0 EGAERP CC(C)(CO)[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607429 1325230362 /nfs/dbraw/zinc/23/03/62/1325230362.db2.gz PUYIIAJECLLXPP-XWSJACJDSA-N 2 0 330.516 3.155 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](O)c1c(Cl)cccc1Cl ZINC000925620411 1325234049 /nfs/dbraw/zinc/23/40/49/1325234049.db2.gz WBQICBMVUMDFHY-XRFFLINXSA-N 2 0 329.271 3.275 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925630046 1325239255 /nfs/dbraw/zinc/23/92/55/1325239255.db2.gz PYDLWDZIQQCWCA-XIRDDKMYSA-N 2 0 334.504 3.378 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(Br)cn1 ZINC000925662300 1325253497 /nfs/dbraw/zinc/25/34/97/1325253497.db2.gz GNIOHLDBLOICAY-DRZSPHRISA-N 2 0 326.282 3.401 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1ccc(Br)cn1 ZINC000925662298 1325253535 /nfs/dbraw/zinc/25/35/35/1325253535.db2.gz GNIOHLDBLOICAY-CYZMBNFOSA-N 2 0 326.282 3.401 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925666060 1325254043 /nfs/dbraw/zinc/25/40/43/1325254043.db2.gz PLPZLJCUSRGFBJ-SFTDATJTSA-N 2 0 346.515 3.360 10 0 EGAERP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925669818 1325255730 /nfs/dbraw/zinc/25/57/30/1325255730.db2.gz FOMGKURRJIEXEU-QZTJIDSGSA-N 2 0 331.460 3.123 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000925703097 1325263908 /nfs/dbraw/zinc/26/39/08/1325263908.db2.gz CAZDSOXDOLBNQF-DSLXNQLJSA-N 2 0 333.495 3.014 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925706869 1325266364 /nfs/dbraw/zinc/26/63/64/1325266364.db2.gz KUEKOSOLBXPKLA-OAHLLOKOSA-N 2 0 336.277 3.073 10 0 EGAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925708766 1325266826 /nfs/dbraw/zinc/26/68/26/1325266826.db2.gz DEGTVANZMVNFNB-ZULIPRJHSA-N 2 0 345.531 3.026 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)OC)c1 ZINC000925721714 1325269643 /nfs/dbraw/zinc/26/96/43/1325269643.db2.gz QCJZHQABAKJHAF-UFYCRDLUSA-N 2 0 332.488 3.141 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000925772693 1325293593 /nfs/dbraw/zinc/29/35/93/1325293593.db2.gz JFIWECFJPCAMAX-CEXWTWQISA-N 2 0 338.536 3.253 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1C[NH2+][C@H](Cc1ccccc1Cl)C1CC1 ZINC000925779344 1325297659 /nfs/dbraw/zinc/29/76/59/1325297659.db2.gz XJCOMLGILTUCJB-GDBMZVCRSA-N 2 0 328.834 3.496 10 0 EGAERP C[C@H](NC[C@@H]1C[NH2+]CCC1(F)F)c1cc(Cl)c(N)c(Cl)c1 ZINC000925780792 1325298965 /nfs/dbraw/zinc/29/89/65/1325298965.db2.gz GVBFLNZTSVQCCM-WPRPVWTQSA-N 2 0 338.229 3.471 10 0 EGAERP Cc1cc([C@@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2cccnc2)ccc1F ZINC000925802037 1325307993 /nfs/dbraw/zinc/30/79/93/1325307993.db2.gz CUJFGIBDQXXLTM-WRWLIDTKSA-N 2 0 327.447 3.454 10 0 EGAERP c1ccc([C@@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C2CC2)cc1 ZINC000925810070 1325311013 /nfs/dbraw/zinc/31/10/13/1325311013.db2.gz VCXGJRKVHMITHA-JOCHJYFZSA-N 2 0 335.495 3.333 10 0 EGAERP C[C@@H](CC(=O)N1CCCCCC1)[NH2+]CCCCCC1CC[NH2+]CC1 ZINC000925809222 1325311145 /nfs/dbraw/zinc/31/11/45/1325311145.db2.gz CGRFQYAVZDXLGZ-SFHVURJKSA-N 2 0 337.552 3.317 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(F)cc2C)CC[NH2+]CC1 ZINC000925826738 1325319066 /nfs/dbraw/zinc/31/90/66/1325319066.db2.gz IUKFJPOTTFIYOL-CABCVRRESA-N 2 0 336.451 3.106 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(C)c1OC ZINC000925841357 1325324258 /nfs/dbraw/zinc/32/42/58/1325324258.db2.gz OOUZPUQVTFEOFA-BOUXLOLZSA-N 2 0 332.488 3.065 10 0 EGAERP Cc1ccc([C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858510 1325332446 /nfs/dbraw/zinc/33/24/46/1325332446.db2.gz UIHJZQSLXBZCEE-FUHWJXTLSA-N 2 0 346.471 3.094 10 0 EGAERP C[C@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859634 1325333739 /nfs/dbraw/zinc/33/37/39/1325333739.db2.gz XHHYGGXQOVCJGI-SJLPKXTDSA-N 2 0 344.499 3.018 10 0 EGAERP COc1ccc(OC)c([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925888266 1325344464 /nfs/dbraw/zinc/34/44/64/1325344464.db2.gz SFPMSTCEXRYBDZ-CEQIKUNHSA-N 2 0 340.467 3.414 10 0 EGAERP C[NH2+]CCN(C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1)C(C)C ZINC000925966516 1325372847 /nfs/dbraw/zinc/37/28/47/1325372847.db2.gz UKEYDISCDIRFJX-UHFFFAOYSA-N 2 0 346.519 3.177 10 0 EGAERP C[C@H]1[C@H](NC2CC([NH+]3CCCCC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000926337343 1325519535 /nfs/dbraw/zinc/51/95/35/1325519535.db2.gz NZKICEXSAFYFKO-VWEINGBSSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H](N[C@@H](CC[NH+](C)C)c1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000926902635 1327766462 /nfs/dbraw/zinc/76/64/62/1327766462.db2.gz ZUBIFRCPRBTOMF-UWJYYQICSA-N 2 0 340.515 3.487 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000926942683 1327787348 /nfs/dbraw/zinc/78/73/48/1327787348.db2.gz QGTBGUCMXQMBSW-RQUKQETFSA-N 2 0 326.484 3.078 10 0 EGAERP CCOC(=O)NC1CCC([NH2+]C2CCC(C)([NH+]3CCC3)CC2)CC1 ZINC000927038416 1327826562 /nfs/dbraw/zinc/82/65/62/1327826562.db2.gz QLOYLJLPQAXXAP-UHFFFAOYSA-N 2 0 337.508 3.040 10 0 EGAERP C[C@H](CC(=O)N1CCCCCC1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927036573 1327827125 /nfs/dbraw/zinc/82/71/25/1327827125.db2.gz DBIDDANAQUQMMK-PGYGNJIDSA-N 2 0 335.536 3.164 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+]Cc3cnc4c(cnn4C)c3)CC2)CC1 ZINC000865509433 1329707185 /nfs/dbraw/zinc/70/71/85/1329707185.db2.gz XWYRUYUQMZIXQT-UHFFFAOYSA-N 2 0 341.503 3.101 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C2CCN(C(=O)CC(C)(C)C)CC2)CC1 ZINC000865765206 1329736536 /nfs/dbraw/zinc/73/65/36/1329736536.db2.gz KYHWQIIIEOPFCC-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP c1cc(CNC[C@H]2CC[N@@H+]2C2CCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000865805216 1329740079 /nfs/dbraw/zinc/74/00/79/1329740079.db2.gz VDHYGBCXANXQRB-LJQANCHMSA-N 2 0 339.487 3.154 10 0 EGAERP c1ccc(C[NH+]2CCCC[C@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000865803976 1329740144 /nfs/dbraw/zinc/74/01/44/1329740144.db2.gz NZPPWCQKUNNNSY-ACRUOGEOSA-N 2 0 327.516 3.258 10 0 EGAERP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@@H]1CN2CCC[C@H]2CO1 ZINC000866260941 1330086931 /nfs/dbraw/zinc/08/69/31/1330086931.db2.gz PZQUCYMYLQLGDX-LSTHTHJFSA-N 2 0 339.483 3.009 10 0 EGAERP Cc1c([C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)nnn1-c1ccccc1 ZINC000866515402 1330120656 /nfs/dbraw/zinc/12/06/56/1330120656.db2.gz ASJVOCGDFMWFLU-XRTORIHISA-N 2 0 341.503 3.489 10 0 EGAERP CCOC(=O)C(F)(F)[C@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000866515833 1330120724 /nfs/dbraw/zinc/12/07/24/1330120724.db2.gz JQMJCZIAHNXBDK-UJEKJILKSA-N 2 0 346.462 3.206 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1-n1ccnn1 ZINC000866517347 1330121096 /nfs/dbraw/zinc/12/10/96/1330121096.db2.gz HHCNDJAFYRYWNW-LYGPFTKASA-N 2 0 327.476 3.181 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000866529157 1330122407 /nfs/dbraw/zinc/12/24/07/1330122407.db2.gz MTXHAHQWMPLGFI-IEBWSBKVSA-N 2 0 346.515 3.484 10 0 EGAERP Brc1cccnc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666245 1330139566 /nfs/dbraw/zinc/13/95/66/1330139566.db2.gz OONFMPKFUITKKI-KGLIPLIRSA-N 2 0 338.293 3.056 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccc(Cl)cc2)C1 ZINC000866704593 1330142828 /nfs/dbraw/zinc/14/28/28/1330142828.db2.gz OWRSMWYXUGIYJG-GOSISDBHSA-N 2 0 337.895 3.366 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705263 1330142931 /nfs/dbraw/zinc/14/29/31/1330142931.db2.gz WMLSEAXWJZUCAC-IBGZPJMESA-N 2 0 349.544 3.434 10 0 EGAERP C[NH+](C)CCc1ccccc1NC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000868151693 1330255480 /nfs/dbraw/zinc/25/54/80/1330255480.db2.gz UQNAOJFMCVHALD-FQEVSTJZSA-N 2 0 346.519 3.020 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@H]4CCC[N@@H+]43)n2)cc1 ZINC000952881266 1334587062 /nfs/dbraw/zinc/58/70/62/1334587062.db2.gz GEIFRHPASFCPBF-DLBZAZTESA-N 2 0 326.444 3.488 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@H]4CCC[N@@H+]43)n2)cc1 ZINC000952881274 1334587133 /nfs/dbraw/zinc/58/71/33/1334587133.db2.gz GEIFRHPASFCPBF-IRXDYDNUSA-N 2 0 326.444 3.488 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001323095025 1387288822 /nfs/dbraw/zinc/28/88/22/1387288822.db2.gz VBBNRLSXSOLJMN-HXUWFJFHSA-N 2 0 347.547 3.092 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H](CC)[NH+](C)C)C2)CC1 ZINC001323836982 1387469864 /nfs/dbraw/zinc/46/98/64/1387469864.db2.gz YEQRPQFXIXOIIS-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001324029589 1387513671 /nfs/dbraw/zinc/51/36/71/1387513671.db2.gz CQPJXPKFOPGHLF-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C[C@H]2C)CC1 ZINC001324090955 1387538027 /nfs/dbraw/zinc/53/80/27/1387538027.db2.gz SBYWRAGLBYFFJR-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324208300 1387558600 /nfs/dbraw/zinc/55/86/00/1387558600.db2.gz VSVUPPSFVXWTPE-MJRGOJFPSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001324494627 1387647073 /nfs/dbraw/zinc/64/70/73/1387647073.db2.gz IDSIFDFBCLXUPZ-GOSISDBHSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCC1 ZINC001324496026 1387649830 /nfs/dbraw/zinc/64/98/30/1387649830.db2.gz SPRNETOQMUMAPD-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001324555682 1387670863 /nfs/dbraw/zinc/67/08/63/1387670863.db2.gz BMNFPQJYFPIDAG-TZIWHRDSSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324557729 1387673544 /nfs/dbraw/zinc/67/35/44/1387673544.db2.gz TZHMBJCSQWOLAI-ICSRJNTNSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001324646829 1387717181 /nfs/dbraw/zinc/71/71/81/1387717181.db2.gz IZVHQWXCDRTQLK-UWJYYQICSA-N 2 0 345.531 3.403 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001324897142 1387809300 /nfs/dbraw/zinc/80/93/00/1387809300.db2.gz GYCCUACJZFZVQY-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2(C)CC[NH+](CCC3CC3)CC2)C1 ZINC001324897811 1387809817 /nfs/dbraw/zinc/80/98/17/1387809817.db2.gz QUOMDDDNTWVVSP-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001324957875 1387851058 /nfs/dbraw/zinc/85/10/58/1387851058.db2.gz OJVGLTRKCKCIGR-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP COC(=O)c1cccc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC001325026787 1387877192 /nfs/dbraw/zinc/87/71/92/1387877192.db2.gz GNJQRONTXCUBCW-UHFFFAOYSA-N 2 0 338.451 3.359 10 0 EGAERP C[N@H+](CCCC[NH+]1CCCCC1)CCC(=O)Nc1cccc(F)c1 ZINC001197284315 1368780363 /nfs/dbraw/zinc/78/03/63/1368780363.db2.gz HSIVZLCNUNBRTR-UHFFFAOYSA-N 2 0 335.467 3.352 10 0 EGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001197368602 1368799565 /nfs/dbraw/zinc/79/95/65/1368799565.db2.gz JKDLMDWOIQSCDD-SFHVURJKSA-N 2 0 347.466 3.286 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCn1ccnc1 ZINC001325894347 1388067306 /nfs/dbraw/zinc/06/73/06/1388067306.db2.gz APSLISIGUVJDDV-WFRZBGSESA-N 2 0 344.503 3.085 10 0 EGAERP COc1ccc(C[C@H](C)[N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC001118636433 1371209451 /nfs/dbraw/zinc/20/94/51/1371209451.db2.gz PRAVRZHKODSRLA-INIZCTEOSA-N 2 0 336.439 3.339 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001326303040 1388147000 /nfs/dbraw/zinc/14/70/00/1388147000.db2.gz KFYSHDBCONFTJY-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001326458476 1388197602 /nfs/dbraw/zinc/19/76/02/1388197602.db2.gz NNADJIBTTYBKPM-UHFFFAOYSA-N 2 0 333.520 3.123 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001326468073 1388203656 /nfs/dbraw/zinc/20/36/56/1388203656.db2.gz JPJMWUGFRNUDMX-FXAWDEMLSA-N 2 0 343.515 3.404 10 0 EGAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001124128525 1372677956 /nfs/dbraw/zinc/67/79/56/1372677956.db2.gz ONWWTUIQOXJUKT-AZUAARDMSA-N 2 0 345.531 3.135 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)CCC1 ZINC001326522839 1388228238 /nfs/dbraw/zinc/22/82/38/1388228238.db2.gz ZBKIKTSTVICTKP-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001326912935 1388348333 /nfs/dbraw/zinc/34/83/33/1388348333.db2.gz DSTJBMZJYFDAAS-OSFIAYCASA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001327245776 1388461383 /nfs/dbraw/zinc/46/13/83/1388461383.db2.gz QDVAIFRGYLZGCS-AZUAARDMSA-N 2 0 345.531 3.239 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001264122182 1377140000 /nfs/dbraw/zinc/14/00/00/1377140000.db2.gz HRSNDWNWYSSEAU-ICSRJNTNSA-N 2 0 345.531 3.369 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001266189293 1377220785 /nfs/dbraw/zinc/22/07/85/1377220785.db2.gz CCTYQIVXJNOPQX-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001266216527 1377231948 /nfs/dbraw/zinc/23/19/48/1377231948.db2.gz RSSTYLVYFJNRTA-NZSAHSFTSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001136164137 1377359789 /nfs/dbraw/zinc/35/97/89/1377359789.db2.gz HYSQXMJMDGMTBK-SJORKVTESA-N 2 0 331.504 3.445 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001267657849 1377464771 /nfs/dbraw/zinc/46/47/71/1377464771.db2.gz GIBDBCSHLZXLKO-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001268164538 1377490576 /nfs/dbraw/zinc/49/05/76/1377490576.db2.gz AOZKEVUABHJGAZ-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001268182232 1377490867 /nfs/dbraw/zinc/49/08/67/1377490867.db2.gz UGBYOCNZNMDCGJ-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001268182234 1377490884 /nfs/dbraw/zinc/49/08/84/1377490884.db2.gz UGBYOCNZNMDCGJ-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001269730543 1377567037 /nfs/dbraw/zinc/56/70/37/1377567037.db2.gz RDSQUZDTTIOSPZ-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C(C)(C)[NH+]1CCCC1)CC2 ZINC001270851473 1377615908 /nfs/dbraw/zinc/61/59/08/1377615908.db2.gz MUGWAWDYGFQUKL-WAYWQWQTSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001273166001 1378090688 /nfs/dbraw/zinc/09/06/88/1378090688.db2.gz IODWPARCWLZWNC-ROUUACIJSA-N 2 0 335.536 3.212 10 0 EGAERP CC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327488853 1388533680 /nfs/dbraw/zinc/53/36/80/1388533680.db2.gz SFZBWRZPLRVTPE-VOTSOKGWSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001277286454 1378216180 /nfs/dbraw/zinc/21/61/80/1378216180.db2.gz ZSUGPKWWZYSDKP-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@H+](CC(=O)NCC1=CC[NH+](CCCC(C)(C)C)CC1)C1CCC1 ZINC001279574194 1378313097 /nfs/dbraw/zinc/31/30/97/1378313097.db2.gz QJPJNVSFDXMBKV-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+]1CCC(CC(=O)NC2CC(C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001282064950 1378471119 /nfs/dbraw/zinc/47/11/19/1378471119.db2.gz APECTBMLFIKLQC-UHFFFAOYSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001282167562 1378482856 /nfs/dbraw/zinc/48/28/56/1378482856.db2.gz MDQSRSDJEWZTEE-MSOLQXFVSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001282741926 1378592539 /nfs/dbraw/zinc/59/25/39/1378592539.db2.gz VSXNPLCMWQRXQA-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282822205 1378628551 /nfs/dbraw/zinc/62/85/51/1378628551.db2.gz LQRTXXMGGILJKO-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)C1 ZINC001282977952 1378695116 /nfs/dbraw/zinc/69/51/16/1378695116.db2.gz RHYSHUQRODOCOW-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](CCC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001283214637 1378762496 /nfs/dbraw/zinc/76/24/96/1378762496.db2.gz PVKCZQOAHZCMRS-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001147587465 1379046440 /nfs/dbraw/zinc/04/64/40/1379046440.db2.gz BYXWIQNFZFDDFW-VQTJNVASSA-N 2 0 347.547 3.307 10 0 EGAERP C[C@H](CN(C)C(=O)c1ccccc1CC[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001283650452 1379080527 /nfs/dbraw/zinc/08/05/27/1379080527.db2.gz VYNFJPPNTRPPNN-QGZVFWFLSA-N 2 0 347.547 3.277 10 0 EGAERP Cc1c(C(=O)N2C[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001283997437 1379350921 /nfs/dbraw/zinc/35/09/21/1379350921.db2.gz QOZXCDCOKMLOBT-HOCLYGCPSA-N 2 0 342.487 3.272 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCC(C)(C)CC1)CC2 ZINC001284066612 1379423137 /nfs/dbraw/zinc/42/31/37/1379423137.db2.gz HSUNDEBBTRNPBE-NQIIRXRSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001284088131 1379454499 /nfs/dbraw/zinc/45/44/99/1379454499.db2.gz UGUWYEPMFGQXPO-GBESFXJTSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001284130425 1379509987 /nfs/dbraw/zinc/50/99/87/1379509987.db2.gz WENJNFMCSBOQOM-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001327886933 1388616823 /nfs/dbraw/zinc/61/68/23/1388616823.db2.gz WBLCFJZKGOXQRI-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CC=C(C)C)C2)o1 ZINC001327958076 1388633443 /nfs/dbraw/zinc/63/34/43/1388633443.db2.gz KHOGBCPHFQCAAU-AEFFLSMTSA-N 2 0 347.503 3.138 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@H]1CCC[NH+]1C ZINC001284529882 1379933978 /nfs/dbraw/zinc/93/39/78/1379933978.db2.gz NPFMERGGEVENGP-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001284643074 1380049791 /nfs/dbraw/zinc/04/97/91/1380049791.db2.gz QHWCZGJVORLMGR-RBUKOAKNSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)C[NH+]1CCCC1 ZINC001284651786 1380065455 /nfs/dbraw/zinc/06/54/55/1380065455.db2.gz BHDIMOBMSMBUGJ-SFHVURJKSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284780806 1380203997 /nfs/dbraw/zinc/20/39/97/1380203997.db2.gz DXKGZHXARNDZLZ-LRYGQEGESA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001284927660 1380317290 /nfs/dbraw/zinc/31/72/90/1380317290.db2.gz GCFOHOPURFQZDD-SFHVURJKSA-N 2 0 337.552 3.147 10 0 EGAERP CC1(C)C[N@H+](CC2CCC2)CC[C@@H]1NC(=O)CCCC[NH+]1CCCC1 ZINC001328114358 1388677066 /nfs/dbraw/zinc/67/70/66/1388677066.db2.gz QJESFQLGQUIGKZ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CCCCCC1 ZINC001328343639 1388725949 /nfs/dbraw/zinc/72/59/49/1388725949.db2.gz JPBRFAZYIDWZJK-PXNSSMCTSA-N 2 0 349.563 3.173 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001328458705 1388750502 /nfs/dbraw/zinc/75/05/02/1388750502.db2.gz JYJJCOJHCQKJQV-FXAWDEMLSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H](CNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[N@@H+]1CCCC[C@H]1C ZINC001290954638 1382117434 /nfs/dbraw/zinc/11/74/34/1382117434.db2.gz QLAVHSZYKIJNGI-CVEARBPZSA-N 2 0 342.487 3.284 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001328674233 1388803739 /nfs/dbraw/zinc/80/37/39/1388803739.db2.gz QUMYBVZUJMGWPO-DBBZSVRUSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001297931140 1383295990 /nfs/dbraw/zinc/29/59/90/1383295990.db2.gz WUSKUCSUDLUXJC-KRWDZBQOSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)[C@@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC001299822558 1383630635 /nfs/dbraw/zinc/63/06/35/1383630635.db2.gz QOCNYSCNGUIOJH-RTBURBONSA-N 2 0 343.515 3.131 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001328812040 1388877899 /nfs/dbraw/zinc/87/78/99/1388877899.db2.gz HXYZVGCTZLEIDE-XJDXJNMNSA-N 2 0 349.563 3.245 10 0 EGAERP COc1ccc([C@@H](C)C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001308149625 1384101258 /nfs/dbraw/zinc/10/12/58/1384101258.db2.gz FFTUPONGZKBCJX-SFHVURJKSA-N 2 0 346.515 3.112 10 0 EGAERP C[C@H]1OCC[C@@]1(C)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001169270480 1384130362 /nfs/dbraw/zinc/13/03/62/1384130362.db2.gz GZOVMYAHMJMCMB-WIYYLYMNSA-N 2 0 330.516 3.488 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001316603871 1384472195 /nfs/dbraw/zinc/47/21/95/1384472195.db2.gz CIQLDDOXNGLTOT-MOPGFXCFSA-N 2 0 345.531 3.239 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001316630407 1384493875 /nfs/dbraw/zinc/49/38/75/1384493875.db2.gz XFBDAIAIEJAVCU-FHWLQOOXSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316713626 1384535236 /nfs/dbraw/zinc/53/52/36/1384535236.db2.gz BUMCMUUMHPWUKY-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C(C)C)C(C)(C)[C@H]21 ZINC001316718099 1384536119 /nfs/dbraw/zinc/53/61/19/1384536119.db2.gz APKQDKNODDINGT-BNCVPQAMSA-N 2 0 349.563 3.288 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)C[C@@H]2C1 ZINC001316752574 1384560006 /nfs/dbraw/zinc/56/00/06/1384560006.db2.gz PVKQBFQHLBOIOE-FUMNGEBKSA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[N@@H+](CCC3CCCCCC3)CC[C@@H]2C1 ZINC001316756220 1384561886 /nfs/dbraw/zinc/56/18/86/1384561886.db2.gz CUTQKBIERJHQQC-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC(C)(C)C)[NH+](C)C ZINC001316806330 1384598609 /nfs/dbraw/zinc/59/86/09/1384598609.db2.gz FXSJAJHJLJAOCI-DLBZAZTESA-N 2 0 325.541 3.076 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001316832645 1384624408 /nfs/dbraw/zinc/62/44/08/1384624408.db2.gz CDIPZFKYUGEHRP-IBGZPJMESA-N 2 0 343.515 3.204 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316875490 1384660593 /nfs/dbraw/zinc/66/05/93/1384660593.db2.gz AFCQOHNTGXZFAY-WYTZPYIFSA-N 2 0 349.563 3.434 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001316875489 1384660697 /nfs/dbraw/zinc/66/06/97/1384660697.db2.gz FSEQPZLXWFMNON-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001316937062 1384708249 /nfs/dbraw/zinc/70/82/49/1384708249.db2.gz JFTSNMHUNNPLPP-SFHVURJKSA-N 2 0 345.531 3.319 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001316944592 1384716236 /nfs/dbraw/zinc/71/62/36/1384716236.db2.gz RPQVKOUNJAQYHK-WOJBJXKFSA-N 2 0 345.531 3.231 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316997927 1384754959 /nfs/dbraw/zinc/75/49/59/1384754959.db2.gz HVXSQLUXHSESLW-MHEJJFAZSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014267 1384778860 /nfs/dbraw/zinc/77/88/60/1384778860.db2.gz SQCPHCIVGPETAJ-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001317026978 1384794073 /nfs/dbraw/zinc/79/40/73/1384794073.db2.gz OQMCRJNLTXWRFS-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCCC3CCC3)CC[C@H]21 ZINC001317103951 1384867224 /nfs/dbraw/zinc/86/72/24/1384867224.db2.gz HRLJPGBGBMEZIR-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001317112288 1384873475 /nfs/dbraw/zinc/87/34/75/1384873475.db2.gz HCMBXUXKFJZDLF-CALCHBBNSA-N 2 0 349.544 3.240 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317167965 1384932694 /nfs/dbraw/zinc/93/26/94/1384932694.db2.gz XEVPJQDWQLMSTL-IEBWSBKVSA-N 2 0 345.531 3.236 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001317175780 1384946943 /nfs/dbraw/zinc/94/69/43/1384946943.db2.gz GNHKXOOISFFGDZ-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317183044 1384958455 /nfs/dbraw/zinc/95/84/55/1384958455.db2.gz MDIOKYATQGOLIG-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC[NH+](C)C1CCCCC1 ZINC001317212651 1384991821 /nfs/dbraw/zinc/99/18/21/1384991821.db2.gz XPAZIJJNJBBANU-MITHORJCSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001317259517 1385029283 /nfs/dbraw/zinc/02/92/83/1385029283.db2.gz LQKLVNDEHCTOEK-HKUYNNGSSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001317288108 1385061051 /nfs/dbraw/zinc/06/10/51/1385061051.db2.gz FOUIHFCFNUHUCP-IRXDYDNUSA-N 2 0 331.504 3.061 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001317294814 1385067215 /nfs/dbraw/zinc/06/72/15/1385067215.db2.gz RLAGKNHHBOKIHK-WWDZGPRUSA-N 2 0 339.568 3.273 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317301863 1385070338 /nfs/dbraw/zinc/07/03/38/1385070338.db2.gz FMFXOOYSLDBRJJ-TUYSUELWSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317350670 1385100158 /nfs/dbraw/zinc/10/01/58/1385100158.db2.gz LRZQQAWXPUYLBI-IRXDYDNUSA-N 2 0 349.544 3.407 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001317362949 1385105319 /nfs/dbraw/zinc/10/53/19/1385105319.db2.gz IVGCJRYRFJQPRK-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317384162 1385108865 /nfs/dbraw/zinc/10/88/65/1385108865.db2.gz LLMJRDKQPPJYHR-RBUKOAKNSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001317396537 1385113291 /nfs/dbraw/zinc/11/32/91/1385113291.db2.gz PFVXTTCAFWPAEZ-VQIMIIECSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@H]1CCCc2ccc(F)cc21 ZINC001317416327 1385125812 /nfs/dbraw/zinc/12/58/12/1385125812.db2.gz UKLXKNIYCKLFIF-BEFAXECRSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001329102176 1388968760 /nfs/dbraw/zinc/96/87/60/1388968760.db2.gz BRVHBEQVCOIASX-IAGOWNOFSA-N 2 0 335.536 3.234 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CC1=CCCCC1 ZINC001317490309 1385189746 /nfs/dbraw/zinc/18/97/46/1385189746.db2.gz YFIMZBGOOHUOFZ-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317505355 1385211748 /nfs/dbraw/zinc/21/17/48/1385211748.db2.gz ONBGBCNYWRTFHY-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317524754 1385243921 /nfs/dbraw/zinc/24/39/21/1385243921.db2.gz BOWRXGXBONHHTP-DKFQHHCZSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001317532270 1385258387 /nfs/dbraw/zinc/25/83/87/1385258387.db2.gz ZUFCHZYSRSPPMY-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317534670 1385265140 /nfs/dbraw/zinc/26/51/40/1385265140.db2.gz DBUWGQAJBNTPAK-OALUTQOASA-N 2 0 345.531 3.143 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317677020 1385384514 /nfs/dbraw/zinc/38/45/14/1385384514.db2.gz OBEOKCBTEOHSHC-LPHOPBHVSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@@H](C)[NH2+]CCC3CC3)CC2)C1 ZINC001317678748 1385386782 /nfs/dbraw/zinc/38/67/82/1385386782.db2.gz ULYUWCVAOQZDKB-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001317684582 1385395014 /nfs/dbraw/zinc/39/50/14/1385395014.db2.gz SPUTXJWPMBYILA-KRWDZBQOSA-N 2 0 345.531 3.379 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001317728124 1385427191 /nfs/dbraw/zinc/42/71/91/1385427191.db2.gz CXEMDRRVEGBTPE-UXHICEINSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2C[C@H]3CC[C@@H](C2)[NH+]3C[C@H](C)CC(C)C)CC[N@@H+]1C ZINC001317734763 1385429645 /nfs/dbraw/zinc/42/96/45/1385429645.db2.gz LCUZKYAJUANGNN-SWBPCFCJSA-N 2 0 349.563 3.074 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001317810804 1385508810 /nfs/dbraw/zinc/50/88/10/1385508810.db2.gz FRUJTSQSBNDVJT-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC1(CC)CNC(=O)[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001176453355 1385592873 /nfs/dbraw/zinc/59/28/73/1385592873.db2.gz RYZZPMDBVURGBE-LJQANCHMSA-N 2 0 343.515 3.067 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@@H+]([C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001317984394 1385599432 /nfs/dbraw/zinc/59/94/32/1385599432.db2.gz AGHXKXUEBCENFR-BJLQDIEVSA-N 2 0 345.531 3.285 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317987917 1385602085 /nfs/dbraw/zinc/60/20/85/1385602085.db2.gz OMLWGUBWJCQDPI-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001318978831 1385907319 /nfs/dbraw/zinc/90/73/19/1385907319.db2.gz KBGZRWXZVWDTGK-USYVTKNRSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001318979930 1385907615 /nfs/dbraw/zinc/90/76/15/1385907615.db2.gz XPSIBDGUXOYZNZ-MKXGPGLRSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)CCC[NH+](C)C)CC2 ZINC001319144924 1385978002 /nfs/dbraw/zinc/97/80/02/1385978002.db2.gz LHMQQYYZXHMRIE-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](CCC3CCCC3)C2)CC1 ZINC001319151297 1385982460 /nfs/dbraw/zinc/98/24/60/1385982460.db2.gz ZSKMWGDLNYLJQP-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+][C@@H](C)c1ccccc1F ZINC001319224503 1386014029 /nfs/dbraw/zinc/01/40/29/1386014029.db2.gz IITDCAQVPFNYSS-HOTGVXAUSA-N 2 0 349.494 3.103 10 0 EGAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CCC(C)(C)C ZINC001319285415 1386042536 /nfs/dbraw/zinc/04/25/36/1386042536.db2.gz MAQAEYUYEOINFP-MRXNPFEDSA-N 2 0 333.520 3.140 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1)c1cccc(F)c1 ZINC001319388857 1386098766 /nfs/dbraw/zinc/09/87/66/1386098766.db2.gz CPRIETVSQMXWDU-INIZCTEOSA-N 2 0 347.478 3.001 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001698634733 1406279665 /nfs/dbraw/zinc/27/96/65/1406279665.db2.gz BUMYJIIVJGNJNA-ASIGSXEYSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)CCCC(=O)NC1(C[NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001698637012 1406283313 /nfs/dbraw/zinc/28/33/13/1406283313.db2.gz QXTKJYFOWKVRGT-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319749990 1386279880 /nfs/dbraw/zinc/27/98/80/1386279880.db2.gz KMPSESDTYGMXFD-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC001319890292 1386367811 /nfs/dbraw/zinc/36/78/11/1386367811.db2.gz OSVPGUFVGXBBEY-LJQANCHMSA-N 2 0 338.499 3.464 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC2(CC2)CC1 ZINC001319914713 1386387250 /nfs/dbraw/zinc/38/72/50/1386387250.db2.gz FXHJTAXZZSCTKK-QRQLOZEOSA-N 2 0 349.563 3.027 10 0 EGAERP Cc1c(C(=O)N(C)CC[N@H+](C)CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001320016720 1386453802 /nfs/dbraw/zinc/45/38/02/1386453802.db2.gz VJYGHJQVVMGEHU-UHFFFAOYSA-N 2 0 342.487 3.083 10 0 EGAERP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320033494 1386464721 /nfs/dbraw/zinc/46/47/21/1386464721.db2.gz MUFPYMPEMKQEFX-UHFFFAOYSA-N 2 0 325.541 3.077 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N(C)CC[NH+](C)CC1CCCC1)c1ccccc1 ZINC001320067737 1386488023 /nfs/dbraw/zinc/48/80/23/1386488023.db2.gz DEQMXYQRRZUIGG-FQEVSTJZSA-N 2 0 345.531 3.260 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001320474908 1386620240 /nfs/dbraw/zinc/62/02/40/1386620240.db2.gz VKONIRPAZYXOMS-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001320734945 1386704411 /nfs/dbraw/zinc/70/44/11/1386704411.db2.gz OXONWDZREHYYNO-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001698684414 1406331599 /nfs/dbraw/zinc/33/15/99/1406331599.db2.gz IJRIAEFRORVQMJ-UXHICEINSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001322041948 1387037306 /nfs/dbraw/zinc/03/73/06/1387037306.db2.gz MJBDESSLAVRVLA-RNODOKPDSA-N 2 0 347.547 3.163 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001322159028 1387082137 /nfs/dbraw/zinc/08/21/37/1387082137.db2.gz XWTPYRVFRXUSFR-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]([NH2+]CCC1CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1F ZINC001698703067 1406344919 /nfs/dbraw/zinc/34/49/19/1406344919.db2.gz LRCDWWGXFPIBMB-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)CCC[NH2+]CC2CC3(CCC3)C2)CC1 ZINC001322769927 1387236102 /nfs/dbraw/zinc/23/61/02/1387236102.db2.gz MEDXPMKDNWEPPX-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]C/C=C\Cl ZINC001329341951 1389068370 /nfs/dbraw/zinc/06/83/70/1389068370.db2.gz LFLFKHVUUANKSI-SIJIIQCFSA-N 2 0 343.943 3.076 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045739 1389293236 /nfs/dbraw/zinc/29/32/36/1389293236.db2.gz DPZOBRGYHCQFKO-XLIONFOSSA-N 2 0 345.531 3.052 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@H](C)c2cccc(F)c2)CC1(C)C ZINC001330245393 1389364327 /nfs/dbraw/zinc/36/43/27/1389364327.db2.gz RSZYRCNGHIMYPA-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CCC[NH+](CCCC(C)C)C2 ZINC001330512216 1389437953 /nfs/dbraw/zinc/43/79/53/1389437953.db2.gz NMFKNJXRAYQNHY-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CCCC(C)(C)C)CC1 ZINC001331074003 1389621035 /nfs/dbraw/zinc/62/10/35/1389621035.db2.gz GMHIKJHDSRIHTL-UHFFFAOYSA-N 2 0 325.541 3.076 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001331075262 1389622185 /nfs/dbraw/zinc/62/21/85/1389622185.db2.gz UAYHHFWIUWXVIW-FQEVSTJZSA-N 2 0 345.531 3.401 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CCC1 ZINC001331223919 1389659922 /nfs/dbraw/zinc/65/99/22/1389659922.db2.gz LGRRZESJDSHESB-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331455655 1389754946 /nfs/dbraw/zinc/75/49/46/1389754946.db2.gz ORCDULNXBZHLLW-SQGPQFPESA-N 2 0 345.531 3.087 10 0 EGAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001331474012 1389763309 /nfs/dbraw/zinc/76/33/09/1389763309.db2.gz IMKUBIFTDOQOBR-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651349 1389847978 /nfs/dbraw/zinc/84/79/78/1389847978.db2.gz XBQITSPPCSUNJS-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001332045905 1389955969 /nfs/dbraw/zinc/95/59/69/1389955969.db2.gz GJIHAFHSYOKVLY-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]23CCC[C@@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001332110677 1389989133 /nfs/dbraw/zinc/98/91/33/1389989133.db2.gz KBIRDUHBNIZFQZ-LVCYWYKZSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H]([NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001698762450 1406416806 /nfs/dbraw/zinc/41/68/06/1406416806.db2.gz UPJCSOYFUPIPKR-HKUYNNGSSA-N 2 0 345.531 3.354 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCC(F)F)CC1 ZINC001339880279 1390181759 /nfs/dbraw/zinc/18/17/59/1390181759.db2.gz BZRZXCKOUPMCPA-UHFFFAOYSA-N 2 0 325.447 3.354 10 0 EGAERP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001333013687 1390236568 /nfs/dbraw/zinc/23/65/68/1390236568.db2.gz JOYJVIGLWXENPC-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001333075195 1390245637 /nfs/dbraw/zinc/24/56/37/1390245637.db2.gz HZGDQQAPWGKOTR-ABHNRTSZSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001333102276 1390249304 /nfs/dbraw/zinc/24/93/04/1390249304.db2.gz AKFHGMWMSVBMOV-AOCRQIFASA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001698774643 1406437073 /nfs/dbraw/zinc/43/70/73/1406437073.db2.gz LFIPGQPUZOSCBW-GOSISDBHSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001479295270 1392206878 /nfs/dbraw/zinc/20/68/78/1392206878.db2.gz MVPRITDBZXKDLD-GBESFXJTSA-N 2 0 347.547 3.092 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001479397842 1392233363 /nfs/dbraw/zinc/23/33/63/1392233363.db2.gz DSSQGBXBWAJGPR-BZSNNMDCSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC2)C1 ZINC001479460632 1392248616 /nfs/dbraw/zinc/24/86/16/1392248616.db2.gz BNJJOTPJZIXYKR-ZWKOTPCHSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C3CC[NH+](C)CC3)C2)CC1 ZINC001479501179 1392258697 /nfs/dbraw/zinc/25/86/97/1392258697.db2.gz KFJGODBHSKVUJE-GOSISDBHSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001479525752 1392269122 /nfs/dbraw/zinc/26/91/22/1392269122.db2.gz UGPCJENQWCINJT-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[C@@H]3CCC[NH+]3C)C[C@@H]2C1 ZINC001479667061 1392312063 /nfs/dbraw/zinc/31/20/63/1392312063.db2.gz KXFOCQPHNSUJTL-AABGKKOBSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001479729876 1392341410 /nfs/dbraw/zinc/34/14/10/1392341410.db2.gz MPKVFAPTHKNAAU-CNGCZUSVSA-N 2 0 335.536 3.042 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C1CCC1 ZINC001479734164 1392345167 /nfs/dbraw/zinc/34/51/67/1392345167.db2.gz AJYGCWMVOSZJCG-UEKDZROGSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)C)CC(C)(C)C1)[NH+](C)C ZINC001479744637 1392359550 /nfs/dbraw/zinc/35/95/50/1392359550.db2.gz GTHXOBGCLUMLLM-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001479777077 1392382394 /nfs/dbraw/zinc/38/23/94/1392382394.db2.gz ZWEYXAJEWILTRL-RTBURBONSA-N 2 0 345.531 3.369 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479823634 1392412918 /nfs/dbraw/zinc/41/29/18/1392412918.db2.gz KRLMTFZDBVHFIL-ZMGAVLDPSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C(C)C ZINC001479831592 1392417925 /nfs/dbraw/zinc/41/79/25/1392417925.db2.gz NEVDDAAEKPTNIH-ROUUACIJSA-N 2 0 325.541 3.122 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccc(C)c1 ZINC001479850678 1392431069 /nfs/dbraw/zinc/43/10/69/1392431069.db2.gz GAFALKXKZMSJHY-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccc(F)c1 ZINC001479861244 1392440173 /nfs/dbraw/zinc/44/01/73/1392440173.db2.gz LFADTLVXPIHHJL-IRXDYDNUSA-N 2 0 349.494 3.027 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001479989068 1392520644 /nfs/dbraw/zinc/52/06/44/1392520644.db2.gz OXPSPTVLGGMKST-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001480145290 1392600877 /nfs/dbraw/zinc/60/08/77/1392600877.db2.gz MCKNCSXHBXAEDN-QAQDUYKDSA-N 2 0 349.563 3.312 10 0 EGAERP C[N@H+](CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1)CC(C)(C)C ZINC001480182085 1392613837 /nfs/dbraw/zinc/61/38/37/1392613837.db2.gz INHMUFLSDKFMMH-YQQQUEKLSA-N 2 0 349.563 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001480265552 1392650572 /nfs/dbraw/zinc/65/05/72/1392650572.db2.gz PDFIJTPJZRKUME-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001480331287 1392690629 /nfs/dbraw/zinc/69/06/29/1392690629.db2.gz HKOUHIBWHGXRPR-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001480368472 1392710599 /nfs/dbraw/zinc/71/05/99/1392710599.db2.gz XSJCQAKOTOBGEK-RTBURBONSA-N 2 0 345.531 3.367 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CCCC1 ZINC001480374203 1392717272 /nfs/dbraw/zinc/71/72/72/1392717272.db2.gz VEWFTNYPLZKSJX-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595515 1392810495 /nfs/dbraw/zinc/81/04/95/1392810495.db2.gz BTXAPQKCLDIBQE-DLBZAZTESA-N 2 0 347.547 3.480 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001698871446 1406591297 /nfs/dbraw/zinc/59/12/97/1406591297.db2.gz SWRKNHJHQZMRPU-ACBHZAAOSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001480697433 1392860992 /nfs/dbraw/zinc/86/09/92/1392860992.db2.gz FHPPZDBMTJCPFM-MOPGFXCFSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480697898 1392861620 /nfs/dbraw/zinc/86/16/20/1392861620.db2.gz JAGAYOFJQXVOJZ-PJHKVULZSA-N 2 0 335.536 3.234 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700934 1392864747 /nfs/dbraw/zinc/86/47/47/1392864747.db2.gz ZIDCIFSZJWCPHX-RBUKOAKNSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001480705246 1392867901 /nfs/dbraw/zinc/86/79/01/1392867901.db2.gz OLEDTUJHDZEOFX-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709844 1392872284 /nfs/dbraw/zinc/87/22/84/1392872284.db2.gz GWIPMGZUKAESCQ-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480736797 1392902175 /nfs/dbraw/zinc/90/21/75/1392902175.db2.gz JCXDGULEGJYXQB-PXDRNWIDSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001698879077 1406606269 /nfs/dbraw/zinc/60/62/69/1406606269.db2.gz DYOIWKCCKOZSFA-QRQLOZEOSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H](C)c1cccc(Cl)c1 ZINC001481018545 1393094955 /nfs/dbraw/zinc/09/49/55/1393094955.db2.gz BSWPIYNYHWYSTN-OAHLLOKOSA-N 2 0 339.911 3.179 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001481118837 1393124698 /nfs/dbraw/zinc/12/46/98/1393124698.db2.gz NCJXDDGQYOBSDW-DLBZAZTESA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CC1CCCCCC1 ZINC001481252354 1393153749 /nfs/dbraw/zinc/15/37/49/1393153749.db2.gz RMPLCBCQYNASRB-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]([NH2+]CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccc(F)cc1 ZINC001481271952 1393155958 /nfs/dbraw/zinc/15/59/58/1393155958.db2.gz NCGLHKVYOVRFQA-VDZJLULYSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001481327304 1393164335 /nfs/dbraw/zinc/16/43/35/1393164335.db2.gz FAOPPELLJUASKY-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343071 1393168851 /nfs/dbraw/zinc/16/88/51/1393168851.db2.gz QLOJJRFWMYZTKL-KRWDZBQOSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC1 ZINC001481368615 1394208767 /nfs/dbraw/zinc/20/87/67/1394208767.db2.gz GUFFGTBSUMBSRC-GOSISDBHSA-N 2 0 345.531 3.212 10 0 EGAERP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C1 ZINC001490558616 1394259603 /nfs/dbraw/zinc/25/96/03/1394259603.db2.gz LQHJTVZHUHRLCD-UZLBHIALSA-N 2 0 339.483 3.043 10 0 EGAERP CCCN(C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21)C1CC[NH+](C(C)C)CC1 ZINC001490617914 1394285612 /nfs/dbraw/zinc/28/56/12/1394285612.db2.gz VHXSTIMVBMMJLZ-IEBWSBKVSA-N 2 0 335.536 3.115 10 0 EGAERP CCCCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001490619189 1394285918 /nfs/dbraw/zinc/28/59/18/1394285918.db2.gz VXJQREDCWHVBTN-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC(C)C)C1 ZINC001481488777 1394333323 /nfs/dbraw/zinc/33/33/23/1394333323.db2.gz WNURTRSGJVEOQZ-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001481509019 1394356053 /nfs/dbraw/zinc/35/60/53/1394356053.db2.gz MZTNWCACIIFYFY-WOJBJXKFSA-N 2 0 349.563 3.077 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001698951809 1406692932 /nfs/dbraw/zinc/69/29/32/1406692932.db2.gz JXWWVJLRGXUCDW-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC(CC[NH+](C)CCC3CC3)CC2)CC[N@@H+]1C ZINC001698953689 1406696926 /nfs/dbraw/zinc/69/69/26/1406696926.db2.gz JOTOCZJQURBPIS-PXNSSMCTSA-N 2 0 349.563 3.077 10 0 EGAERP Cc1c(C(=O)N(C)[C@@H]2CC[N@@H+](CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001481732838 1394481071 /nfs/dbraw/zinc/48/10/71/1394481071.db2.gz WVEYAZMFTHXJJA-GOSISDBHSA-N 2 0 342.487 3.225 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001491229564 1394485585 /nfs/dbraw/zinc/48/55/85/1394485585.db2.gz IHTMMHWJRLOABR-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481743285 1394488833 /nfs/dbraw/zinc/48/88/33/1394488833.db2.gz CQKGZBXNDHKBRP-RJCMGOLDSA-N 2 0 335.536 3.138 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237159 1394489527 /nfs/dbraw/zinc/48/95/27/1394489527.db2.gz QVRBNZYUTOSVPN-GNAXCBTBSA-N 2 0 335.536 3.189 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001491251386 1394491339 /nfs/dbraw/zinc/49/13/39/1394491339.db2.gz OITIDNFZNFZSDS-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001481753837 1394498315 /nfs/dbraw/zinc/49/83/15/1394498315.db2.gz YWECAUXWOKYZCM-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001698954154 1406698555 /nfs/dbraw/zinc/69/85/55/1406698555.db2.gz RJOMFWHUVXBHGE-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481782396 1394527123 /nfs/dbraw/zinc/52/71/23/1394527123.db2.gz PICLYKXMVYEXAJ-UEKDZROGSA-N 2 0 335.536 3.142 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001481904367 1394589512 /nfs/dbraw/zinc/58/95/12/1394589512.db2.gz DUMZQVPQCMJPPF-WAYWQWQTSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001481941973 1394608117 /nfs/dbraw/zinc/60/81/17/1394608117.db2.gz YWVKKXLGDLOESV-LAUBAEHRSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001481964095 1394625945 /nfs/dbraw/zinc/62/59/45/1394625945.db2.gz OGISXPBJOXRSTG-WIYYLYMNSA-N 2 0 349.563 3.482 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001482005193 1394665299 /nfs/dbraw/zinc/66/52/99/1394665299.db2.gz DVGYOLIZVCZTGG-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001482006532 1394665795 /nfs/dbraw/zinc/66/57/95/1394665795.db2.gz APWFAYPRGXWKRA-GOSISDBHSA-N 2 0 339.568 3.227 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001482024087 1394682064 /nfs/dbraw/zinc/68/20/64/1394682064.db2.gz LKICZIAHLNSKNM-UAFMIMERSA-N 2 0 349.563 3.457 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001482027984 1394686963 /nfs/dbraw/zinc/68/69/63/1394686963.db2.gz WORCOLWRUQCWHU-BZSNNMDCSA-N 2 0 341.515 3.018 10 0 EGAERP CC/C=C\CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001482046947 1394708584 /nfs/dbraw/zinc/70/85/84/1394708584.db2.gz PVFLVYXYOFOHJJ-YZKSSJSGSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](F)CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001482238262 1394834584 /nfs/dbraw/zinc/83/45/84/1394834584.db2.gz LWDNDUJCCCJEIN-INIZCTEOSA-N 2 0 349.494 3.129 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)CC[C@H]1CCC[N@@H+]1C)CC2 ZINC001482243752 1394840576 /nfs/dbraw/zinc/84/05/76/1394840576.db2.gz JQINHZUSPITCRN-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482303003 1394878616 /nfs/dbraw/zinc/87/86/16/1394878616.db2.gz UIHOQGPKVBMXNV-WAVCKPEOSA-N 2 0 342.487 3.439 10 0 EGAERP CC(C)C[C@H](C[NH2+]C(C)C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001482386634 1394947354 /nfs/dbraw/zinc/94/73/54/1394947354.db2.gz HTUKALOSRUEFGR-MRXNPFEDSA-N 2 0 325.541 3.168 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482386086 1394947520 /nfs/dbraw/zinc/94/75/20/1394947520.db2.gz DMHQTBCIKPEUSG-NVXWUHKLSA-N 2 0 344.503 3.423 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001482398471 1394959594 /nfs/dbraw/zinc/95/95/94/1394959594.db2.gz NPRCUQZTWCLENC-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC(C)(C)C2)CC1 ZINC001482456205 1395014650 /nfs/dbraw/zinc/01/46/50/1395014650.db2.gz PLHHXNBJRCXUQF-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001482459045 1395017131 /nfs/dbraw/zinc/01/71/31/1395017131.db2.gz SBHZTSOYRDCXFQ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001482469813 1395024232 /nfs/dbraw/zinc/02/42/32/1395024232.db2.gz FGYQHNGXKAVEHN-RBUKOAKNSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001482500750 1395053909 /nfs/dbraw/zinc/05/39/09/1395053909.db2.gz JODDMKUHJZXVNZ-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001698973411 1406739634 /nfs/dbraw/zinc/73/96/34/1406739634.db2.gz XSQMSCXBCFSLER-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@H+](CCC(=O)N1CCC[C@@H]1C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001483937428 1395152395 /nfs/dbraw/zinc/15/23/95/1395152395.db2.gz CCPSTWWEAYNMJM-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1ccccc1CC[NH+](C)C ZINC001483938436 1395153027 /nfs/dbraw/zinc/15/30/27/1395153027.db2.gz WFLALSXLJGMOMO-HKUYNNGSSA-N 2 0 345.531 3.031 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001483952437 1395159261 /nfs/dbraw/zinc/15/92/61/1395159261.db2.gz IRHBLTSAXRCFSV-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001484001727 1395179363 /nfs/dbraw/zinc/17/93/63/1395179363.db2.gz RXOVCLPUWGFVFC-RTBURBONSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1=CCCCC1 ZINC001698977177 1406748312 /nfs/dbraw/zinc/74/83/12/1406748312.db2.gz GIRYRFUNPGJNOQ-FQEVSTJZSA-N 2 0 349.563 3.338 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001484520268 1395414725 /nfs/dbraw/zinc/41/47/25/1395414725.db2.gz FLLAUAOMBRIMHZ-UEKDZROGSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1CCC[NH+](CC2CC2)CC1)c1ccccc1 ZINC001484723907 1395487237 /nfs/dbraw/zinc/48/72/37/1395487237.db2.gz KYGGBTBVHVPTCF-PMACEKPBSA-N 2 0 343.515 3.060 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001484819643 1395553887 /nfs/dbraw/zinc/55/38/87/1395553887.db2.gz SHFIYQLVHHVYMN-HPFMTEOYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001484825901 1395561883 /nfs/dbraw/zinc/56/18/83/1395561883.db2.gz XRYSSKDXGNWSBT-UXHICEINSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001484975851 1395615552 /nfs/dbraw/zinc/61/55/52/1395615552.db2.gz JNPHFHNYWDJJJN-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001484983937 1395625486 /nfs/dbraw/zinc/62/54/86/1395625486.db2.gz ROGXBLMSVTZXPN-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)[C@H](C)C1 ZINC001484985148 1395626140 /nfs/dbraw/zinc/62/61/40/1395626140.db2.gz CGAGDLJSTDUGSI-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1[C@H](C(=O)N(C)C2CCC([NH2+]CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001485238622 1395731054 /nfs/dbraw/zinc/73/10/54/1395731054.db2.gz IFOSSMCREOOCMP-AQEOSJORSA-N 2 0 337.552 3.122 10 0 EGAERP CN(C(=O)CCC[NH+](C)C)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001485240801 1395734106 /nfs/dbraw/zinc/73/41/06/1395734106.db2.gz ACPFMNSXAHWTIC-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1ccc(F)cc1 ZINC001485241921 1395734668 /nfs/dbraw/zinc/73/46/68/1395734668.db2.gz PIVIWQFDIWXQFZ-MNNVXMFVSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CCCCC1 ZINC001485359045 1395835464 /nfs/dbraw/zinc/83/54/64/1395835464.db2.gz SKVKCKZBYJGPGO-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+](C)[C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001485382529 1395867605 /nfs/dbraw/zinc/86/76/05/1395867605.db2.gz GMTBLTPXPTYVMH-QZTJIDSGSA-N 2 0 345.531 3.403 10 0 EGAERP CC(C)CC[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001485435532 1395903217 /nfs/dbraw/zinc/90/32/17/1395903217.db2.gz TTXGSPUNKZKNQY-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001485483445 1395969499 /nfs/dbraw/zinc/96/94/99/1395969499.db2.gz WFZKYOFGHZDLKS-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001485484635 1395971257 /nfs/dbraw/zinc/97/12/57/1395971257.db2.gz JHNGWKRRONSQQG-SFHVURJKSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1C[NH+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521630 1395995263 /nfs/dbraw/zinc/99/52/63/1395995263.db2.gz DBELPCNVCXSDQB-PXNSSMCTSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521634 1395996051 /nfs/dbraw/zinc/99/60/51/1395996051.db2.gz DBELPCNVCXSDQB-YLJYHZDGSA-N 2 0 345.531 3.052 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C ZINC001485581586 1396056411 /nfs/dbraw/zinc/05/64/11/1396056411.db2.gz GWAIIVYTLXGBSR-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960201 1396174079 /nfs/dbraw/zinc/17/40/79/1396174079.db2.gz BKQLVNLDUPEHMD-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001486208230 1396182484 /nfs/dbraw/zinc/18/24/84/1396182484.db2.gz OPTXMQXILRATQH-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001501390334 1396193600 /nfs/dbraw/zinc/19/36/00/1396193600.db2.gz IYEOGULPVIFARK-IFEVLTCRSA-N 2 0 345.531 3.036 10 0 EGAERP C[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001502734808 1396223654 /nfs/dbraw/zinc/22/36/54/1396223654.db2.gz LDKMPPUMZHZIRO-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001503000452 1396239127 /nfs/dbraw/zinc/23/91/27/1396239127.db2.gz DLNKAUANUFAWSN-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](CC)CC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001505401311 1396289439 /nfs/dbraw/zinc/28/94/39/1396289439.db2.gz YYFMRXCWTLGVJG-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001493668696 1396341085 /nfs/dbraw/zinc/34/10/85/1396341085.db2.gz IFRXURLKAABLRM-OTWHNJEPSA-N 2 0 345.531 3.143 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)CC1CCCCCC1 ZINC001699004172 1406823653 /nfs/dbraw/zinc/82/36/53/1406823653.db2.gz NGNRSJPNNZUFHG-HDICACEKSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001496170050 1396619337 /nfs/dbraw/zinc/61/93/37/1396619337.db2.gz OOWWOBQLHVNTLW-ZWKOTPCHSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001496294263 1396637563 /nfs/dbraw/zinc/63/75/63/1396637563.db2.gz LKIHJEFGDJPWDF-ISIQUDIPSA-N 2 0 343.943 3.122 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001496414125 1396697469 /nfs/dbraw/zinc/69/74/69/1396697469.db2.gz KWXNTWRJWYJOIC-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2[C@@H](C)CCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001496490950 1396709010 /nfs/dbraw/zinc/70/90/10/1396709010.db2.gz KHRJWCYLDAASEK-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001497275408 1396743240 /nfs/dbraw/zinc/74/32/40/1396743240.db2.gz HOMARHVGLINBAG-RBUKOAKNSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1 ZINC001497762176 1396831758 /nfs/dbraw/zinc/83/17/58/1396831758.db2.gz GATZGGZSRMBZHC-GRFNRIFCSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1)[NH+]1CCCC1 ZINC001497762604 1396832378 /nfs/dbraw/zinc/83/23/78/1396832378.db2.gz JJVIXVKTCBNBNQ-DPGPQQRUSA-N 2 0 349.563 3.195 10 0 EGAERP CCCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689054712 1396854054 /nfs/dbraw/zinc/85/40/54/1396854054.db2.gz AGRFGZRIBFBKNK-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001689056518 1396858115 /nfs/dbraw/zinc/85/81/15/1396858115.db2.gz VFSQIUKAOGKQQJ-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001689096869 1396903499 /nfs/dbraw/zinc/90/34/99/1396903499.db2.gz IBRVNFDYTCOBSW-CARIKJKMSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001689159924 1396954607 /nfs/dbraw/zinc/95/46/07/1396954607.db2.gz ZARBHCRAZBHGHX-LJQANCHMSA-N 2 0 343.531 3.216 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001689267711 1396999029 /nfs/dbraw/zinc/99/90/29/1396999029.db2.gz PMMUXTVJEMONLT-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001689363730 1403702684 /nfs/dbraw/zinc/70/26/84/1403702684.db2.gz YYLDYQSFHZRMMT-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CCCCC1 ZINC001689809795 1404149437 /nfs/dbraw/zinc/14/94/37/1404149437.db2.gz GWJPFQMVUGAMRX-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001690051642 1404284764 /nfs/dbraw/zinc/28/47/64/1404284764.db2.gz KNPUKEFXDZCPSW-GOSISDBHSA-N 2 0 349.544 3.095 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001690108473 1404304976 /nfs/dbraw/zinc/30/49/76/1404304976.db2.gz APQKVHOAMFFMEX-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C2CC2)CC1 ZINC001690175817 1404373217 /nfs/dbraw/zinc/37/32/17/1404373217.db2.gz FSKGSZOWFGKPNA-IBGZPJMESA-N 2 0 349.563 3.027 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001690216729 1404425145 /nfs/dbraw/zinc/42/51/45/1404425145.db2.gz XEALQZQYQXXZJI-GHLVQVTDSA-N 2 0 347.547 3.281 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)C)CC[C@@H]21 ZINC001690317856 1404474543 /nfs/dbraw/zinc/47/45/43/1404474543.db2.gz LRMSXBYMQQJBTR-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccc(F)cc2)C1 ZINC001690394058 1404535894 /nfs/dbraw/zinc/53/58/94/1404535894.db2.gz RPVXJZAOUPWBHE-IAGOWNOFSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690409014 1404544094 /nfs/dbraw/zinc/54/40/94/1404544094.db2.gz DUOUVZNDQRGUJG-GNAXCBTBSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690409016 1404544128 /nfs/dbraw/zinc/54/41/28/1404544128.db2.gz DUOUVZNDQRGUJG-RTLBZRNLSA-N 2 0 347.547 3.047 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001690423048 1404550893 /nfs/dbraw/zinc/55/08/93/1404550893.db2.gz GEXJXYQCNHPVOM-KRWDZBQOSA-N 2 0 339.568 3.229 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001690436299 1404559014 /nfs/dbraw/zinc/55/90/14/1404559014.db2.gz LXIDGLMYAJYTON-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001690455711 1404584558 /nfs/dbraw/zinc/58/45/58/1404584558.db2.gz WTCHAYDNBCNUNI-DVBCCOPCSA-N 2 0 337.552 3.291 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001690532383 1404624429 /nfs/dbraw/zinc/62/44/29/1404624429.db2.gz KLOGMQTZONADDZ-ABHNRTSZSA-N 2 0 337.552 3.312 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725176171 1425692719 /nfs/dbraw/zinc/69/27/19/1425692719.db2.gz XFJAQDIVJSSCES-PTZVLDCSSA-N 2 0 342.487 3.439 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001690843374 1404773063 /nfs/dbraw/zinc/77/30/63/1404773063.db2.gz WESXICQVBLURHO-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001690881564 1404795018 /nfs/dbraw/zinc/79/50/18/1404795018.db2.gz XAEUGMFCQBTMFH-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001690998178 1404914615 /nfs/dbraw/zinc/91/46/15/1404914615.db2.gz FWBGUIQZGGBVHT-QZTJIDSGSA-N 2 0 345.531 3.231 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CC2(CCC2)C1 ZINC001691043625 1404954539 /nfs/dbraw/zinc/95/45/39/1404954539.db2.gz SOPYNLMXSQHWDB-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001691062630 1404987414 /nfs/dbraw/zinc/98/74/14/1404987414.db2.gz UNJDIHHMHXOXBE-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001725631472 1426299358 /nfs/dbraw/zinc/29/93/58/1426299358.db2.gz NZEQVXACTSBBGF-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCC3CC3)[C@H]2C1(C)C ZINC001691428693 1405263404 /nfs/dbraw/zinc/26/34/04/1405263404.db2.gz PPLUQPRABHNGDR-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691457820 1405280820 /nfs/dbraw/zinc/28/08/20/1405280820.db2.gz AMYVGIDQAFRHAU-PNYFIKQUSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691481596 1405295542 /nfs/dbraw/zinc/29/55/42/1405295542.db2.gz POESFCFQHSFDRT-OTWHNJEPSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC[N@@H+]1CCCC(C)C ZINC001691490598 1405299487 /nfs/dbraw/zinc/29/94/87/1405299487.db2.gz DCNMGKCJSOJVHX-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H]2CN(C)C(=O)CCCC[NH+](C)C)cc1C ZINC001691674660 1405408792 /nfs/dbraw/zinc/40/87/92/1405408792.db2.gz JJOISEXPZUCMOW-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001691679400 1405414178 /nfs/dbraw/zinc/41/41/78/1405414178.db2.gz URUYCJFCGIZCAL-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2CCCC2)CC1 ZINC001691692018 1405426328 /nfs/dbraw/zinc/42/63/28/1405426328.db2.gz IJQFEGBOMDNFCR-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691757082 1405474528 /nfs/dbraw/zinc/47/45/28/1405474528.db2.gz BXNSJKSONUDHJR-BGYRXZFFSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001691793876 1405503703 /nfs/dbraw/zinc/50/37/03/1405503703.db2.gz GJCDEBOQXQMDBN-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001691818394 1405532905 /nfs/dbraw/zinc/53/29/05/1405532905.db2.gz BTWNHWYROJHSIM-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691860907 1405579029 /nfs/dbraw/zinc/57/90/29/1405579029.db2.gz NAVMGJIZYQFCAO-AZUAARDMSA-N 2 0 347.547 3.142 10 0 EGAERP CCCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001691860781 1405579176 /nfs/dbraw/zinc/57/91/76/1405579176.db2.gz KLPWFXOSZAPVLE-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691882302 1405604710 /nfs/dbraw/zinc/60/47/10/1405604710.db2.gz JPIZXSIBIQZXSN-NSHGMRRFSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001691928747 1405659160 /nfs/dbraw/zinc/65/91/60/1405659160.db2.gz IKBSDJGFSASZSW-AZUAARDMSA-N 2 0 345.531 3.282 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[NH+](C)C)C2)CC1 ZINC001691961115 1405678611 /nfs/dbraw/zinc/67/86/11/1405678611.db2.gz ZJVAAKOCSNOCND-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)[C@H]1CC ZINC001691995783 1405710874 /nfs/dbraw/zinc/71/08/74/1405710874.db2.gz SFZCKAHJKDWELQ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[N@@H+](CCCC3CCC3)CC[C@@H]2C1 ZINC001692082976 1405765287 /nfs/dbraw/zinc/76/52/87/1405765287.db2.gz KEYAYYJPXISHRN-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCCC(C)(C)C ZINC001692236870 1405862834 /nfs/dbraw/zinc/86/28/34/1405862834.db2.gz RVQJLAZEXMXSSP-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001692236486 1405863002 /nfs/dbraw/zinc/86/30/02/1405863002.db2.gz CZXNCZRFHUEEEV-ZIGQXYKSSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001692275557 1405907647 /nfs/dbraw/zinc/90/76/47/1405907647.db2.gz JRFRKXNBVGQLRN-KZNAEPCWSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001732021094 1428238343 /nfs/dbraw/zinc/23/83/43/1428238343.db2.gz AYGHVTCVWNSWNP-PKOBYXMFSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732058031 1428302919 /nfs/dbraw/zinc/30/29/19/1428302919.db2.gz YQRDTFQEDBPHIX-LJQANCHMSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@@H](C)c2cccc(F)c2)C1 ZINC001732084770 1428344023 /nfs/dbraw/zinc/34/40/23/1428344023.db2.gz UWJPLQFEIOFIMF-IRXDYDNUSA-N 2 0 349.494 3.007 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732166547 1428409380 /nfs/dbraw/zinc/40/93/80/1428409380.db2.gz ZWHQXZZBTGRZOQ-IRXDYDNUSA-N 2 0 343.531 3.025 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001732174773 1428420042 /nfs/dbraw/zinc/42/00/42/1428420042.db2.gz WIELYUUMYCZPIR-SJORKVTESA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001732176357 1428421901 /nfs/dbraw/zinc/42/19/01/1428421901.db2.gz SUYUPSQIUKXDSN-UXHICEINSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CC1CC(C)(C)C1 ZINC001732207064 1428456458 /nfs/dbraw/zinc/45/64/58/1428456458.db2.gz PRQUDLBNVJQEFN-INIZCTEOSA-N 2 0 342.487 3.177 10 0 EGAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213441 1428461944 /nfs/dbraw/zinc/46/19/44/1428461944.db2.gz ZXVHJRNQQMAARX-WMZOPIPTSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001732228797 1428476352 /nfs/dbraw/zinc/47/63/52/1428476352.db2.gz LITJBPCRINOMOS-LJQANCHMSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280689 1428512554 /nfs/dbraw/zinc/51/25/54/1428512554.db2.gz LOFIVMAKMNLBEA-WIYYLYMNSA-N 2 0 349.563 3.170 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001732312171 1428524750 /nfs/dbraw/zinc/52/47/50/1428524750.db2.gz QTKNUBYSXMUBTL-FHWLQOOXSA-N 2 0 335.536 3.233 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC001732331292 1428537753 /nfs/dbraw/zinc/53/77/53/1428537753.db2.gz LRTJBHRDGHFHSL-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732400286 1428566244 /nfs/dbraw/zinc/56/62/44/1428566244.db2.gz YURGHEHDECJYRI-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001732508673 1428627631 /nfs/dbraw/zinc/62/76/31/1428627631.db2.gz YAMLIMGYKDFPGR-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001732510493 1428629612 /nfs/dbraw/zinc/62/96/12/1428629612.db2.gz JIXMAPDLCYUMRD-IBGZPJMESA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC=C(C)C)C1 ZINC001732513499 1428632396 /nfs/dbraw/zinc/63/23/96/1428632396.db2.gz WVGCDEPDJVMPNM-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001699060934 1412492471 /nfs/dbraw/zinc/49/24/71/1412492471.db2.gz NOXXLJJZLSADAX-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](CC[NH2+]CCCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699112881 1412515805 /nfs/dbraw/zinc/51/58/05/1412515805.db2.gz KGTRYRAHVJDDLN-QGZVFWFLSA-N 2 0 335.536 3.070 10 0 EGAERP C[C@@H](CC[NH2+]CCCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699112880 1412516002 /nfs/dbraw/zinc/51/60/02/1412516002.db2.gz KGTRYRAHVJDDLN-KRWDZBQOSA-N 2 0 335.536 3.070 10 0 EGAERP CCc1cccc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001699127039 1412522685 /nfs/dbraw/zinc/52/26/85/1412522685.db2.gz ROKMESIXFGAJQL-KRWDZBQOSA-N 2 0 345.531 3.108 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CCC2=CCCCC2)C1 ZINC001699337207 1412648236 /nfs/dbraw/zinc/64/82/36/1412648236.db2.gz XXKRRFXVCWLQTA-KJYWSYJISA-N 2 0 347.547 3.259 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405870 1412718469 /nfs/dbraw/zinc/71/84/69/1412718469.db2.gz LSEHXEOQXNEUMV-FXAWDEMLSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001699448313 1412784671 /nfs/dbraw/zinc/78/46/71/1412784671.db2.gz UYFXLVUHDNRZHQ-FUHWJXTLSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001699459642 1412810984 /nfs/dbraw/zinc/81/09/84/1412810984.db2.gz MCMQYIRWLMNDQD-IRXDYDNUSA-N 2 0 333.520 3.259 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001699587915 1412946163 /nfs/dbraw/zinc/94/61/63/1412946163.db2.gz IWMXEZJFMXQOQV-UXHICEINSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001699671052 1413061097 /nfs/dbraw/zinc/06/10/97/1413061097.db2.gz BWJJSQSIXSVTST-QFBILLFUSA-N 2 0 343.515 3.061 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001699681752 1413075947 /nfs/dbraw/zinc/07/59/47/1413075947.db2.gz YWVAMXTXFVZWOQ-YQQQUEKLSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001699688601 1413089910 /nfs/dbraw/zinc/08/99/10/1413089910.db2.gz GMOCKWXFSHESMI-HKUYNNGSSA-N 2 0 349.563 3.076 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001699766262 1413171084 /nfs/dbraw/zinc/17/10/84/1413171084.db2.gz DBFYWTVLVKYTQT-RBUKOAKNSA-N 2 0 331.504 3.059 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001699797271 1413206896 /nfs/dbraw/zinc/20/68/96/1413206896.db2.gz ZCNGURAMGRTALR-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001700178429 1413588784 /nfs/dbraw/zinc/58/87/84/1413588784.db2.gz HYCGVXLEFHDEPU-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CCC[NH+](CC=C(C)C)C2)C1 ZINC001700197923 1413639743 /nfs/dbraw/zinc/63/97/43/1413639743.db2.gz NMLVVWGSYJASNA-WOJBJXKFSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700224247 1413673796 /nfs/dbraw/zinc/67/37/96/1413673796.db2.gz BNBOUVMXKHATFV-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC(C)([NH2+]CCC3CCCC3)CC2)CC[N@@H+]1C ZINC001700282175 1413727907 /nfs/dbraw/zinc/72/79/07/1413727907.db2.gz NUNMUHPPUQURMN-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001700290956 1413743258 /nfs/dbraw/zinc/74/32/58/1413743258.db2.gz AKPHEURUXFAMIF-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C/c2ccccc2)[C@@H](C)C1 ZINC001700324069 1413792689 /nfs/dbraw/zinc/79/26/89/1413792689.db2.gz RMRLHQBZUJBXIW-CSXIPAGWSA-N 2 0 343.515 3.009 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001700363952 1413883521 /nfs/dbraw/zinc/88/35/21/1413883521.db2.gz IFSHEMXBELMWPI-ZBWOGFRMSA-N 2 0 349.563 3.386 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700406663 1413943834 /nfs/dbraw/zinc/94/38/34/1413943834.db2.gz YCDMTBOSSOFLDF-UONOGXRCSA-N 2 0 330.476 3.175 10 0 EGAERP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700517670 1414170557 /nfs/dbraw/zinc/17/05/57/1414170557.db2.gz ODKBBDZBKFPSHV-WOJBJXKFSA-N 2 0 347.547 3.093 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700519087 1414173366 /nfs/dbraw/zinc/17/33/66/1414173366.db2.gz MEMSOWZWXDGTRA-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700574473 1414247303 /nfs/dbraw/zinc/24/73/03/1414247303.db2.gz PRUKHFJOAUYTNS-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP CC1CCC(C[N@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001732585516 1428798647 /nfs/dbraw/zinc/79/86/47/1428798647.db2.gz QLHPPCAYQIJORO-CTWPCTMYSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001700682417 1414336285 /nfs/dbraw/zinc/33/62/85/1414336285.db2.gz QJVGHPOFBYXRSJ-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(C)cc1 ZINC001700689322 1414342329 /nfs/dbraw/zinc/34/23/29/1414342329.db2.gz KNFLPQSPYNPAIX-ICSRJNTNSA-N 2 0 345.531 3.244 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588376 1428804985 /nfs/dbraw/zinc/80/49/85/1428804985.db2.gz KDUDCLLOYRUSGD-UHFFFAOYSA-N 2 0 345.531 3.068 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732588387 1428805694 /nfs/dbraw/zinc/80/56/94/1428805694.db2.gz KNDPBXQWJJWNNN-INIZCTEOSA-N 2 0 349.494 3.151 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C2CCC2)c1 ZINC001700753167 1414423590 /nfs/dbraw/zinc/42/35/90/1414423590.db2.gz SWDHPZNIOYXPOX-QZTJIDSGSA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001700841695 1414491858 /nfs/dbraw/zinc/49/18/58/1414491858.db2.gz LSTUWRKRAGTXMM-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001700862128 1414511038 /nfs/dbraw/zinc/51/10/38/1414511038.db2.gz ANQMIJKPEOJVOY-PXNSSMCTSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@]12CCC[C@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001700866540 1414518404 /nfs/dbraw/zinc/51/84/04/1414518404.db2.gz YLDJCISAUSCLOH-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCCCC1)CC2)[NH+](C)C ZINC001700867947 1414520818 /nfs/dbraw/zinc/52/08/18/1414520818.db2.gz PKOOOPIGYADMFF-SVFBPWRDSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CCC[NH+]1C ZINC001700974703 1414606892 /nfs/dbraw/zinc/60/68/92/1414606892.db2.gz LBLJICJHVRUIPQ-IBGZPJMESA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC(C)(C)C)C(=O)C12CC[NH+](CC1)C2 ZINC001700976432 1414611901 /nfs/dbraw/zinc/61/19/01/1414611901.db2.gz TVFOGQLKEUVTPR-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001701001577 1414654327 /nfs/dbraw/zinc/65/43/27/1414654327.db2.gz SFKVRENSFJIXQF-ROUUACIJSA-N 2 0 339.568 3.418 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001701052299 1414707193 /nfs/dbraw/zinc/70/71/93/1414707193.db2.gz YYDXVACREKVOBC-KKHYBRAUSA-N 2 0 347.547 3.211 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2CCC2CCCCC2)C1 ZINC001732605467 1428860450 /nfs/dbraw/zinc/86/04/50/1428860450.db2.gz IVHOYIDXWRDVQF-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001732604853 1428859141 /nfs/dbraw/zinc/85/91/41/1428859141.db2.gz GJFSFLROTDVUDY-YMHTTXFNSA-N 2 0 349.563 3.243 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001732628973 1428891514 /nfs/dbraw/zinc/89/15/14/1428891514.db2.gz WORYXUVCWUNOHL-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001732690400 1428911377 /nfs/dbraw/zinc/91/13/77/1428911377.db2.gz OVJSGKQLYFUFDO-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732698420 1428915226 /nfs/dbraw/zinc/91/52/26/1428915226.db2.gz BPARCEUIUVXDHB-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]Cc1csc(C)c1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732801010 1428980055 /nfs/dbraw/zinc/98/00/55/1428980055.db2.gz DXWNTVXGNWAVBZ-ZWKOTPCHSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001707057961 1417174083 /nfs/dbraw/zinc/17/40/83/1417174083.db2.gz CQKHXWYSNDXEHF-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001733039830 1429167631 /nfs/dbraw/zinc/16/76/31/1429167631.db2.gz YZCDHLYUTWECSY-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001707167695 1417227581 /nfs/dbraw/zinc/22/75/81/1417227581.db2.gz NAJRDPGMKDKBDX-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001707197371 1417240828 /nfs/dbraw/zinc/24/08/28/1417240828.db2.gz JXILXRLKDIRUOH-COLAKMGYSA-N 2 0 349.563 3.432 10 0 EGAERP CCc1ccc(C[N@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)[C@H]2CC)cc1 ZINC001707202496 1417242849 /nfs/dbraw/zinc/24/28/49/1417242849.db2.gz BDNWUUWJBLLIDV-VQTJNVASSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707239816 1417260335 /nfs/dbraw/zinc/26/03/35/1417260335.db2.gz DAYVKBLINRMXSD-RTBURBONSA-N 2 0 339.568 3.370 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1 ZINC001707279638 1417288251 /nfs/dbraw/zinc/28/82/51/1417288251.db2.gz DYDBOAJFXGZITC-LJQANCHMSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CCC(C)C)CC(C)(C)C1 ZINC001707282109 1417292167 /nfs/dbraw/zinc/29/21/67/1417292167.db2.gz UFLWTWUGJZOVDI-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001707282060 1417292453 /nfs/dbraw/zinc/29/24/53/1417292453.db2.gz NZYIMDSHMOHFQP-QGZVFWFLSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1CCC[C@@H](CC[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001707381523 1417304525 /nfs/dbraw/zinc/30/45/25/1417304525.db2.gz QHHCDEUOKQYSFL-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001707415383 1417323813 /nfs/dbraw/zinc/32/38/13/1417323813.db2.gz VDTBUCUFQDMCHU-UHFFFAOYSA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)Cc1ccccc1 ZINC001713016417 1417569263 /nfs/dbraw/zinc/56/92/63/1417569263.db2.gz YMURYSBXKXZJRK-UXHICEINSA-N 2 0 343.515 3.032 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713133265 1417709971 /nfs/dbraw/zinc/70/99/71/1417709971.db2.gz QBBYXUNPGFUJCI-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001713169750 1417743071 /nfs/dbraw/zinc/74/30/71/1417743071.db2.gz LVIHQPWNAGAJJK-BZSNNMDCSA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC3=CCCCC3)CC[C@H]21 ZINC001713180962 1417755504 /nfs/dbraw/zinc/75/55/04/1417755504.db2.gz BCEIXWBRZCFIEX-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001713208953 1417779817 /nfs/dbraw/zinc/77/98/17/1417779817.db2.gz DPMSPWSZRRKQKG-KDURUIRLSA-N 2 0 347.547 3.070 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224594 1417813155 /nfs/dbraw/zinc/81/31/55/1417813155.db2.gz YELHFYMUNAIHRL-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713231305 1417817692 /nfs/dbraw/zinc/81/76/92/1417817692.db2.gz ODIHWZLXHULVMN-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001713263819 1417872378 /nfs/dbraw/zinc/87/23/78/1417872378.db2.gz KOTSMPXYMLTNFW-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001713278445 1417901778 /nfs/dbraw/zinc/90/17/78/1417901778.db2.gz DXVHXCBVBLODOZ-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2CCC([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001713291091 1417918375 /nfs/dbraw/zinc/91/83/75/1417918375.db2.gz CMECHAUZGNICOL-AOCRQIFASA-N 2 0 337.552 3.172 10 0 EGAERP O=C(N1CC[C@H](C[NH2+]CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001713345554 1417966329 /nfs/dbraw/zinc/96/63/29/1417966329.db2.gz AGCWDFBFEHOOJR-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001733069334 1429224791 /nfs/dbraw/zinc/22/47/91/1429224791.db2.gz ZWLUIOKFTZXJAU-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001713392822 1418005853 /nfs/dbraw/zinc/00/58/53/1418005853.db2.gz TVGPBYZJQNIOIO-RTBURBONSA-N 2 0 337.552 3.362 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCC1 ZINC001713548012 1418323182 /nfs/dbraw/zinc/32/31/82/1418323182.db2.gz RCPUIKQUBVMCOV-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001713598570 1418388746 /nfs/dbraw/zinc/38/87/46/1418388746.db2.gz WBDVHAORECCYNV-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001713682230 1418434033 /nfs/dbraw/zinc/43/40/33/1418434033.db2.gz XYAYMFNJYDLMDF-KRWDZBQOSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001713705435 1418465694 /nfs/dbraw/zinc/46/56/94/1418465694.db2.gz YSIFZVBRFLLNDO-AZUAARDMSA-N 2 0 345.531 3.354 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001713722798 1418497948 /nfs/dbraw/zinc/49/79/48/1418497948.db2.gz UONCGRDGBNFQOT-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](Cc1ccccc1)C1CC1 ZINC001713775413 1418591443 /nfs/dbraw/zinc/59/14/43/1418591443.db2.gz ILDHEFAFXAJSLG-HXUWFJFHSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001713785719 1418602535 /nfs/dbraw/zinc/60/25/35/1418602535.db2.gz MVLJHSZFKTYXIB-UHFFFAOYSA-N 2 0 337.552 3.366 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713852753 1418649325 /nfs/dbraw/zinc/64/93/25/1418649325.db2.gz FVENJXZMGCPRRR-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](CC(=O)N1CCC[C@H](C[N@H+](C)CCC(C)(C)C)C1)C1CCC1 ZINC001713890792 1418686789 /nfs/dbraw/zinc/68/67/89/1418686789.db2.gz BOLHKOLGHPLFCP-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001713908852 1418705810 /nfs/dbraw/zinc/70/58/10/1418705810.db2.gz ZZPHCHQHZGBEHY-IIWUUDQXSA-N 2 0 345.531 3.035 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713949360 1418734194 /nfs/dbraw/zinc/73/41/94/1418734194.db2.gz NYWYESBWRVUMNF-BZSNNMDCSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713965024 1418744906 /nfs/dbraw/zinc/74/49/06/1418744906.db2.gz UQXIDHHQOCKWLU-UAFMIMERSA-N 2 0 349.563 3.314 10 0 EGAERP CCc1nccn1[C@H](C)CC(=O)N(C)[C@H]1CC[N@@H+](CC(CC)CC)C1 ZINC001714000330 1418780417 /nfs/dbraw/zinc/78/04/17/1418780417.db2.gz AYGQAXKDKVPHBM-AEFFLSMTSA-N 2 0 348.535 3.366 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001714084337 1418878294 /nfs/dbraw/zinc/87/82/94/1418878294.db2.gz ANRCQNKAIWSBJS-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001714100201 1418896105 /nfs/dbraw/zinc/89/61/05/1418896105.db2.gz WMIUVFLKNQSIQU-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CCc1cccc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@H+](C)C(C)C)c1 ZINC001714141608 1418944135 /nfs/dbraw/zinc/94/41/35/1418944135.db2.gz CTMVMXKDLXXKNM-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001714155918 1418966090 /nfs/dbraw/zinc/96/60/90/1418966090.db2.gz LBUSRVGGHKWAPS-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@](C)(NC(=O)C1CC[NH+](C(C)C)CC1)C1CC1 ZINC001714173414 1418981405 /nfs/dbraw/zinc/98/14/05/1418981405.db2.gz ASCSVXUXBSRHNO-UZLBHIALSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001714192879 1418998912 /nfs/dbraw/zinc/99/89/12/1418998912.db2.gz JBQNGRDCPCTEFO-UHFFFAOYSA-N 2 0 337.552 3.458 10 0 EGAERP CC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001733197667 1429299995 /nfs/dbraw/zinc/29/99/95/1429299995.db2.gz IUOYGFICQAAIBM-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714228168 1419021418 /nfs/dbraw/zinc/02/14/18/1419021418.db2.gz BZPDLOZVYTUXOP-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccsc1 ZINC001714268125 1419048987 /nfs/dbraw/zinc/04/89/87/1419048987.db2.gz PURJYXHUKVVTBV-YJBOKZPZSA-N 2 0 349.544 3.140 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001714282528 1419062761 /nfs/dbraw/zinc/06/27/61/1419062761.db2.gz UMHWIHLDFCXOCL-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC001714319618 1419098071 /nfs/dbraw/zinc/09/80/71/1419098071.db2.gz LUKYTESAHOEKET-YDMXYTAQSA-N 2 0 349.906 3.019 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714399578 1419143788 /nfs/dbraw/zinc/14/37/88/1419143788.db2.gz JGARMCSOWTZRCY-VQIMIIECSA-N 2 0 345.531 3.020 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001714407776 1419148337 /nfs/dbraw/zinc/14/83/37/1419148337.db2.gz NEUVTHIAHQLVPM-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714418891 1419155713 /nfs/dbraw/zinc/15/57/13/1419155713.db2.gz HMWWWWXCVSVNLO-AEFFLSMTSA-N 2 0 345.531 3.272 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001714472761 1419197692 /nfs/dbraw/zinc/19/76/92/1419197692.db2.gz VPKIITPAXATDHK-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001714514458 1419241266 /nfs/dbraw/zinc/24/12/66/1419241266.db2.gz YGLXXAQRQUEELM-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714516890 1419243872 /nfs/dbraw/zinc/24/38/72/1419243872.db2.gz JIEWZCFTYOBEIR-FPMVPNIMSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2=CCCCC2)CCC1 ZINC001714520855 1419246708 /nfs/dbraw/zinc/24/67/08/1419246708.db2.gz XIABGVFOCCZBBJ-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001714522737 1419248821 /nfs/dbraw/zinc/24/88/21/1419248821.db2.gz DFZNNWZPHQQTSQ-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)C1 ZINC001714523762 1419249829 /nfs/dbraw/zinc/24/98/29/1419249829.db2.gz KTRYBVIUDNACLP-RBUKOAKNSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C(C)C)CC1CC(C)(C)C1 ZINC001714595148 1419346460 /nfs/dbraw/zinc/34/64/60/1419346460.db2.gz OONJVJBLCXEIOB-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001714630704 1419401198 /nfs/dbraw/zinc/40/11/98/1419401198.db2.gz AHNRTKJLULTFPW-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001733216029 1429331814 /nfs/dbraw/zinc/33/18/14/1429331814.db2.gz KCPMJFNHSZWFOC-MJRGOJFPSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714728918 1419485837 /nfs/dbraw/zinc/48/58/37/1419485837.db2.gz DTTBWNZASWEKSX-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001714816185 1419526957 /nfs/dbraw/zinc/52/69/57/1419526957.db2.gz OSZMDKBIPHWGFS-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)[C@@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714856740 1419573796 /nfs/dbraw/zinc/57/37/96/1419573796.db2.gz SJDDRMYJOVGLIT-WOJBJXKFSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001714872426 1419603470 /nfs/dbraw/zinc/60/34/70/1419603470.db2.gz APONQFDBHUIKIA-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001714892849 1419632077 /nfs/dbraw/zinc/63/20/77/1419632077.db2.gz WIMMOTWLDFYVRL-PXIXMTEYSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714910280 1419656376 /nfs/dbraw/zinc/65/63/76/1419656376.db2.gz LIZMLAMRUALAPD-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C12CCC[NH+]1CCC2 ZINC001714918002 1419669601 /nfs/dbraw/zinc/66/96/01/1419669601.db2.gz KWQHNJPGFPYXKD-SFHVURJKSA-N 2 0 349.563 3.172 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001714974273 1419709122 /nfs/dbraw/zinc/70/91/22/1419709122.db2.gz IDYKCASTYUCZEB-AZUAARDMSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001714982753 1419716810 /nfs/dbraw/zinc/71/68/10/1419716810.db2.gz UNYYHAYOMDQGAS-HDICACEKSA-N 2 0 349.563 3.268 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001715036890 1419772201 /nfs/dbraw/zinc/77/22/01/1419772201.db2.gz FDRMXYBRXZSDBO-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001715062090 1419800605 /nfs/dbraw/zinc/80/06/05/1419800605.db2.gz GFZZIGJNRCMPKL-ROUUACIJSA-N 2 0 345.531 3.333 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001715065116 1419802636 /nfs/dbraw/zinc/80/26/36/1419802636.db2.gz SZHJXGHOLIJPRP-AZUAARDMSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CCCC1CCCC1 ZINC001715069764 1419805251 /nfs/dbraw/zinc/80/52/51/1419805251.db2.gz UXOKFBGABCKBFO-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP Cc1c(C(=O)NC2(C[NH2+]CC[C@@H](C)F)CCCC2)ccc2c[nH+]cn21 ZINC001715095115 1419835776 /nfs/dbraw/zinc/83/57/76/1419835776.db2.gz TVXIPTIPNKDQDG-CQSZACIVSA-N 2 0 346.450 3.023 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001715102102 1419842962 /nfs/dbraw/zinc/84/29/62/1419842962.db2.gz VTHKGJUXGUURCB-ZWKOTPCHSA-N 2 0 349.563 3.458 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCCC1CCCC1)C1CC1 ZINC001715111866 1419855196 /nfs/dbraw/zinc/85/51/96/1419855196.db2.gz JMSMFLHBZQAXAZ-PZJWPPBQSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001715177640 1419912930 /nfs/dbraw/zinc/91/29/30/1419912930.db2.gz UZTGYAZFMHLARH-HXUWFJFHSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCC(CC[NH2+]CCC2CCCCC2)CC1 ZINC001715178565 1419913731 /nfs/dbraw/zinc/91/37/31/1419913731.db2.gz IVTWOWODUBYGRA-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001715204292 1419937936 /nfs/dbraw/zinc/93/79/36/1419937936.db2.gz PTTUTPQGLRRPSI-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP CC1CC(C[NH+]2CCC(CCNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001715207233 1419941765 /nfs/dbraw/zinc/94/17/65/1419941765.db2.gz YYQPPELCECKSMQ-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CCC(C)(C)C)CCCC2)CC[N@@H+]1C ZINC001715302747 1420010438 /nfs/dbraw/zinc/01/04/38/1420010438.db2.gz DRSGFMPXVNXJKO-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715333639 1420038977 /nfs/dbraw/zinc/03/89/77/1420038977.db2.gz BAGBSAYFGPHBDP-ZPPSIVDRSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715381839 1420078513 /nfs/dbraw/zinc/07/85/13/1420078513.db2.gz DTYMYEQSCMPINC-BHIYHBOVSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001715385710 1420082369 /nfs/dbraw/zinc/08/23/69/1420082369.db2.gz ANSOIBMFUBYJFZ-APWZRJJASA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001715388858 1420085614 /nfs/dbraw/zinc/08/56/14/1420085614.db2.gz IBXZIRNKWSXLNO-QUCCMNQESA-N 2 0 345.531 3.136 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001715417212 1420110937 /nfs/dbraw/zinc/11/09/37/1420110937.db2.gz MJUUGIRCGSMPMQ-MJGOQNOKSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001715428170 1420117925 /nfs/dbraw/zinc/11/79/25/1420117925.db2.gz NPSMRVLVONHFFA-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715478669 1420157198 /nfs/dbraw/zinc/15/71/98/1420157198.db2.gz UEJOGVCFKWXUOE-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC001715496245 1420177450 /nfs/dbraw/zinc/17/74/50/1420177450.db2.gz QTGFUDAJNXVVLW-SFHVURJKSA-N 2 0 337.552 3.172 10 0 EGAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001715518349 1420204410 /nfs/dbraw/zinc/20/44/10/1420204410.db2.gz AOJYYNFTKVZKPW-UHFFFAOYSA-N 2 0 349.544 3.314 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001715657333 1420281484 /nfs/dbraw/zinc/28/14/84/1420281484.db2.gz BSNWPESKAFCEJI-ROUUACIJSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001715678004 1420290872 /nfs/dbraw/zinc/29/08/72/1420290872.db2.gz RRWUCSNLGSSXMO-LJQANCHMSA-N 2 0 331.504 3.058 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1Cl ZINC001715824033 1420357925 /nfs/dbraw/zinc/35/79/25/1420357925.db2.gz GVBVHLZMJFPLDT-XHPSBEMXSA-N 2 0 349.906 3.147 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916498 1420395581 /nfs/dbraw/zinc/39/55/81/1420395581.db2.gz YDEZQMYAZLTAER-REMYHPOOSA-N 2 0 347.478 3.025 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715932571 1420404560 /nfs/dbraw/zinc/40/45/60/1420404560.db2.gz LSEHXEOQXNEUMV-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715981999 1420440584 /nfs/dbraw/zinc/44/05/84/1420440584.db2.gz AVSTXCIZRXXAEE-KRWDZBQOSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001716007932 1420461526 /nfs/dbraw/zinc/46/15/26/1420461526.db2.gz DHUUGDYJRCWMED-AOCRQIFASA-N 2 0 339.568 3.273 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)CC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716149909 1420542507 /nfs/dbraw/zinc/54/25/07/1420542507.db2.gz BMGSYMLHBMBDHD-XBMUEBEBSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)c1ccc(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001716310611 1420600469 /nfs/dbraw/zinc/60/04/69/1420600469.db2.gz HHBSGEOYZKZRSP-RRFGBZISSA-N 2 0 343.515 3.056 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001716414838 1420643930 /nfs/dbraw/zinc/64/39/30/1420643930.db2.gz VGBSHSGEHAMFFT-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716452389 1420667663 /nfs/dbraw/zinc/66/76/63/1420667663.db2.gz ATNXUXHKLLBTSH-INIZCTEOSA-N 2 0 325.541 3.029 10 0 EGAERP C[C@H](C[N@H+](C)[C@@H](C)c1ccc2ccccc2c1)NC(=O)CC[NH+](C)C ZINC001716494094 1420716350 /nfs/dbraw/zinc/71/63/50/1420716350.db2.gz XTOPCKGFESDXKX-SJORKVTESA-N 2 0 341.499 3.289 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716494783 1420717694 /nfs/dbraw/zinc/71/76/94/1420717694.db2.gz BCQMXEYAMKSTQA-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716511937 1420742534 /nfs/dbraw/zinc/74/25/34/1420742534.db2.gz IVSRLFKRGXYZBV-RBUKOAKNSA-N 2 0 349.563 3.482 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001716631347 1420790499 /nfs/dbraw/zinc/79/04/99/1420790499.db2.gz KFBQUOJDCYESJS-PMACEKPBSA-N 2 0 347.547 3.236 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716651384 1420804502 /nfs/dbraw/zinc/80/45/02/1420804502.db2.gz SGUCERPPOAKRPA-HHOLJBISSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001716653116 1420805601 /nfs/dbraw/zinc/80/56/01/1420805601.db2.gz BAZDPFDCOKMQGS-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658187 1420811829 /nfs/dbraw/zinc/81/18/29/1420811829.db2.gz BHXZRYPPUHIDIC-MSOLQXFVSA-N 2 0 343.515 3.121 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001733273406 1429435667 /nfs/dbraw/zinc/43/56/67/1429435667.db2.gz MSGHKRLXETXSEC-QVOQXLMASA-N 2 0 345.531 3.036 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+][C@@H](C)c2cccc(C)c2)CC1 ZINC001716683051 1420836836 /nfs/dbraw/zinc/83/68/36/1420836836.db2.gz RDOMKSLLXQFECO-HKUYNNGSSA-N 2 0 343.515 3.169 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001716712465 1420865121 /nfs/dbraw/zinc/86/51/21/1420865121.db2.gz LVPNIBQEBNEMKU-ZCNNSNEGSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001716716028 1420872806 /nfs/dbraw/zinc/87/28/06/1420872806.db2.gz UXFMQWDWUFWPMX-QGZVFWFLSA-N 2 0 349.563 3.220 10 0 EGAERP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H](C)C2)cc1 ZINC001716770192 1420914403 /nfs/dbraw/zinc/91/44/03/1420914403.db2.gz WMKYCKYTHSRLFH-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001716779613 1420918331 /nfs/dbraw/zinc/91/83/31/1420918331.db2.gz FMPDCUVMGQWQLO-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCCn1ccnc1)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001716791157 1420924663 /nfs/dbraw/zinc/92/46/63/1420924663.db2.gz ZPEZIIZMUOOUKS-IBGZPJMESA-N 2 0 344.503 3.134 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001716798476 1420931243 /nfs/dbraw/zinc/93/12/43/1420931243.db2.gz VYKOWDFUTAHJKJ-VOTSOKGWSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@]2(C)CC[N@H+](CCCCCF)C2)c1 ZINC001716853686 1420984859 /nfs/dbraw/zinc/98/48/59/1420984859.db2.gz GKUMQRRVSQLPDM-HXUWFJFHSA-N 2 0 349.494 3.082 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001716853662 1420984905 /nfs/dbraw/zinc/98/49/05/1420984905.db2.gz GAUKOEWEECXHLF-HXUWFJFHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CC[C@](C)(C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001716876332 1421001826 /nfs/dbraw/zinc/00/18/26/1421001826.db2.gz VFLFRLNQOTUVDM-TZIWHRDSSA-N 2 0 345.531 3.135 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001717038095 1421092366 /nfs/dbraw/zinc/09/23/66/1421092366.db2.gz NNBYSTQQXLIGKH-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCCC1 ZINC001717038779 1421093054 /nfs/dbraw/zinc/09/30/54/1421093054.db2.gz RDGDJWFZIAZDFY-WOJBJXKFSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CCC1)[NH+]1CCCCC1 ZINC001717149992 1421141085 /nfs/dbraw/zinc/14/10/85/1421141085.db2.gz JZSDTUVJNKDJOG-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@H]2CCC[C@H](C)C2)CCC1 ZINC001717163444 1421153319 /nfs/dbraw/zinc/15/33/19/1421153319.db2.gz YCDHDNLQBZQHBD-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717197811 1421164497 /nfs/dbraw/zinc/16/44/97/1421164497.db2.gz GKTWOMQTXVLVRO-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001717213006 1421188294 /nfs/dbraw/zinc/18/82/94/1421188294.db2.gz VXISAKZEVICYOM-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]C/C=C\Cl)CC1)[NH+](CC)CC ZINC001717240129 1421208481 /nfs/dbraw/zinc/20/84/81/1421208481.db2.gz LLYVUTVANLNFTL-CKDIWJPDSA-N 2 0 343.943 3.220 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001717241079 1421209631 /nfs/dbraw/zinc/20/96/31/1421209631.db2.gz WESCNNRQJNRRFV-GOSISDBHSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001717368526 1421305348 /nfs/dbraw/zinc/30/53/48/1421305348.db2.gz CRPCLABETUNSCP-YJBOKZPZSA-N 2 0 342.487 3.225 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001717422820 1421352701 /nfs/dbraw/zinc/35/27/01/1421352701.db2.gz LFTUUSHBRKBQIP-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1ccccc1CC ZINC001717473930 1421406958 /nfs/dbraw/zinc/40/69/58/1421406958.db2.gz BLSDWJJIMVFOIN-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001717551368 1421489128 /nfs/dbraw/zinc/48/91/28/1421489128.db2.gz RDLARHIHWSMDKI-PXNSSMCTSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001717555246 1421492127 /nfs/dbraw/zinc/49/21/27/1421492127.db2.gz RRYZRQPWENHQRU-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001717670136 1421559152 /nfs/dbraw/zinc/55/91/52/1421559152.db2.gz BNHOBQSIBNNKSA-QGZVFWFLSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CCCC1CCCC1 ZINC001717758603 1421621412 /nfs/dbraw/zinc/62/14/12/1421621412.db2.gz YGTJGFPKPLTSHC-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717818665 1421637246 /nfs/dbraw/zinc/63/72/46/1421637246.db2.gz OXUGPDGREGHBPL-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001717830610 1421642940 /nfs/dbraw/zinc/64/29/40/1421642940.db2.gz VCAQYQYSDDFXGR-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001717830609 1421643096 /nfs/dbraw/zinc/64/30/96/1421643096.db2.gz VCAQYQYSDDFXGR-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001717839914 1421654922 /nfs/dbraw/zinc/65/49/22/1421654922.db2.gz DPNYMUGIIQWVLP-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2 ZINC001717841520 1421656723 /nfs/dbraw/zinc/65/67/23/1421656723.db2.gz SKNFNQGWQBPRBO-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@@H]21 ZINC001717846624 1421660915 /nfs/dbraw/zinc/66/09/15/1421660915.db2.gz OQCUBGGSOVVSRG-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1=CCCCC1 ZINC001717862641 1421675406 /nfs/dbraw/zinc/67/54/06/1421675406.db2.gz NLYJFILNLOBBSA-AZUAARDMSA-N 2 0 347.547 3.332 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001717896401 1421694293 /nfs/dbraw/zinc/69/42/93/1421694293.db2.gz GYVRPFKHYGVYAX-AWTIPJNISA-N 2 0 349.563 3.290 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCC3=CCCCC3)C(C)(C)C2)CC1 ZINC001717899958 1421696964 /nfs/dbraw/zinc/69/69/64/1421696964.db2.gz YIVAGXMEFPGWSX-GOSISDBHSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717967119 1421738999 /nfs/dbraw/zinc/73/89/99/1421738999.db2.gz XMWKCWWVNLCFHW-FUHWJXTLSA-N 2 0 333.520 3.128 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717979426 1421750605 /nfs/dbraw/zinc/75/06/05/1421750605.db2.gz AVOHMQBTDNHFCK-IAGOWNOFSA-N 2 0 339.568 3.227 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001717980696 1421752221 /nfs/dbraw/zinc/75/22/21/1421752221.db2.gz IERAMFHSDXMWGI-YKMDAGRBSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717997087 1421764958 /nfs/dbraw/zinc/76/49/58/1421764958.db2.gz DRGBNWJFYWBEFS-SREVYHEPSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384167 1429570467 /nfs/dbraw/zinc/57/04/67/1429570467.db2.gz RXSOEQDENUQHPW-KXBFYZLASA-N 2 0 349.494 3.103 10 0 EGAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001733436481 1429644004 /nfs/dbraw/zinc/64/40/04/1429644004.db2.gz YVWBVYJHSOSQDP-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@]1(C)CCC[N@H+](CC2=CCCCC2)C1 ZINC001733461994 1429688985 /nfs/dbraw/zinc/68/89/85/1429688985.db2.gz LCZANMGABCPUHB-OAQYLSRUSA-N 2 0 349.563 3.437 10 0 EGAERP CC(C)(C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001722939603 1424266773 /nfs/dbraw/zinc/26/67/73/1424266773.db2.gz NCXXUQXEIYKOKH-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001722957630 1424279509 /nfs/dbraw/zinc/27/95/09/1424279509.db2.gz ZWRTZBCCLLEHHM-OALUTQOASA-N 2 0 335.536 3.093 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001723568492 1424467967 /nfs/dbraw/zinc/46/79/67/1424467967.db2.gz ITWYPQXVMRPTQY-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001723631827 1424499162 /nfs/dbraw/zinc/49/91/62/1424499162.db2.gz JWSVZUASCVPAED-ZSQQTYLHSA-N 2 0 349.563 3.386 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCCC[NH+]1CC ZINC001723633102 1424500272 /nfs/dbraw/zinc/50/02/72/1424500272.db2.gz DDYAJQMNHVCKFL-QYZOEREBSA-N 2 0 335.536 3.116 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001723738193 1424553474 /nfs/dbraw/zinc/55/34/74/1424553474.db2.gz AGBNJWRGGAMPSV-QEVIJRNUSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723854404 1424585643 /nfs/dbraw/zinc/58/56/43/1424585643.db2.gz AWDVEQLGWHDKGL-SJLPKXTDSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001723859246 1424588354 /nfs/dbraw/zinc/58/83/54/1424588354.db2.gz FTXOYWIQTJDXSN-XLIONFOSSA-N 2 0 345.531 3.377 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724093318 1424656651 /nfs/dbraw/zinc/65/66/51/1424656651.db2.gz ATYCJKMUBFURTD-XLIONFOSSA-N 2 0 345.531 3.272 10 0 EGAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001724174502 1424709391 /nfs/dbraw/zinc/70/93/91/1424709391.db2.gz RDVJYBSRIZBTDK-QFBILLFUSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724552855 1424908574 /nfs/dbraw/zinc/90/85/74/1424908574.db2.gz YLJGNLKQIYHWJJ-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)C1 ZINC001724614528 1424960335 /nfs/dbraw/zinc/96/03/35/1424960335.db2.gz SPRHCJRDNKITFN-VAMGGRTRSA-N 2 0 349.563 3.031 10 0 EGAERP CC(C)=CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001724615262 1424961863 /nfs/dbraw/zinc/96/18/63/1424961863.db2.gz YKUJSPHWMGWUEY-REPLKXPHSA-N 2 0 347.547 3.186 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(C)C ZINC001724654319 1425018232 /nfs/dbraw/zinc/01/82/32/1425018232.db2.gz MCZRVOCVCJXASY-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001724711653 1425067636 /nfs/dbraw/zinc/06/76/36/1425067636.db2.gz HKBXWSIUOGUPCC-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001724741227 1425106109 /nfs/dbraw/zinc/10/61/09/1425106109.db2.gz NUSYYRQGIDJZDH-IAGOWNOFSA-N 2 0 331.504 3.017 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001724839979 1425189260 /nfs/dbraw/zinc/18/92/60/1425189260.db2.gz VPSSODOFAAWNLY-DSQZMVHQSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CCC(C)C)CC1 ZINC001724883826 1425265951 /nfs/dbraw/zinc/26/59/51/1425265951.db2.gz KXPQEUCTADQKAN-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1 ZINC001724884909 1425267367 /nfs/dbraw/zinc/26/73/67/1425267367.db2.gz NVXHULBLPIFQNT-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC1([NH2+]CCCF)CCN(C(=O)[C@H](c2ccccc2)N(C)C)CC1 ZINC001724890701 1425277287 /nfs/dbraw/zinc/27/72/87/1425277287.db2.gz DOSTYFVNUOGTEW-SFHVURJKSA-N 2 0 349.494 3.010 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724895945 1425287798 /nfs/dbraw/zinc/28/77/98/1425287798.db2.gz CVMJWUHPQFXEPQ-YAQIIAKESA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CC[C@@H](NC(=O)CC[NH+](C)C)C[C@@H]2C)cc1 ZINC001724995139 1425400272 /nfs/dbraw/zinc/40/02/72/1425400272.db2.gz JPSBGTNSPICWLO-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001725056084 1425492918 /nfs/dbraw/zinc/49/29/18/1425492918.db2.gz RASGYOHGYRFLML-WOJBJXKFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001725136224 1425610763 /nfs/dbraw/zinc/61/07/63/1425610763.db2.gz FPUQXNPWGAWAKO-AATRIKPKSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CC([C@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001725272111 1425907434 /nfs/dbraw/zinc/90/74/34/1425907434.db2.gz ROWNPWXUQCRYJU-ZWKOTPCHSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCCC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001725296304 1425944207 /nfs/dbraw/zinc/94/42/07/1425944207.db2.gz HAPQOXXMEDBSCX-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001725334233 1425978901 /nfs/dbraw/zinc/97/89/01/1425978901.db2.gz LXYGGNQRAAWUBM-OTWHNJEPSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C1 ZINC001725334229 1425979329 /nfs/dbraw/zinc/97/93/29/1425979329.db2.gz LXYGGNQRAAWUBM-IPMKNSEASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccccc1F ZINC001725387860 1426034591 /nfs/dbraw/zinc/03/45/91/1426034591.db2.gz ODGPUPKKMAXSQK-VQIMIIECSA-N 2 0 349.494 3.073 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001725420865 1426068868 /nfs/dbraw/zinc/06/88/68/1426068868.db2.gz PXEBQNLNWQVUJH-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001725500851 1426181368 /nfs/dbraw/zinc/18/13/68/1426181368.db2.gz FYZLLTJLXJZWDH-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCC(C)(C)C)CC3)CC1 ZINC001725609970 1426267908 /nfs/dbraw/zinc/26/79/08/1426267908.db2.gz IXLARCOWNODVCR-DYESRHJHSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001725611658 1426270126 /nfs/dbraw/zinc/27/01/26/1426270126.db2.gz YLDXGSMOELMPMX-IKVWTGGYSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCCC1CCCC1)CC2 ZINC001725639556 1426315006 /nfs/dbraw/zinc/31/50/06/1426315006.db2.gz UWRYFEGQVWQFBS-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001725644725 1426326625 /nfs/dbraw/zinc/32/66/25/1426326625.db2.gz YPBTZZVMHVKHFB-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001725679987 1426367883 /nfs/dbraw/zinc/36/78/83/1426367883.db2.gz IZRQQDJRFOPHSE-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001725733688 1426406759 /nfs/dbraw/zinc/40/67/59/1426406759.db2.gz SLLZCXVIINGSHJ-RTBURBONSA-N 2 0 337.552 3.218 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C)c1 ZINC001725755713 1426434973 /nfs/dbraw/zinc/43/49/73/1426434973.db2.gz GFXVNLPRSBVHAX-IBGZPJMESA-N 2 0 347.547 3.264 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001725770854 1426455523 /nfs/dbraw/zinc/45/55/23/1426455523.db2.gz GVJJSPJWGBDUJC-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C2(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001725797111 1426482115 /nfs/dbraw/zinc/48/21/15/1426482115.db2.gz LRCLEPPLHJHCJJ-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1(C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001725798320 1426482648 /nfs/dbraw/zinc/48/26/48/1426482648.db2.gz WJCHMCXTLHOBEH-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001725830870 1426508878 /nfs/dbraw/zinc/50/88/78/1426508878.db2.gz WSJDWKUSOAUNNL-QZTJIDSGSA-N 2 0 347.547 3.188 10 0 EGAERP Cc1cc(C[N@H+](C)CCCNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)cs1 ZINC001731248020 1427201459 /nfs/dbraw/zinc/20/14/59/1427201459.db2.gz IPRYMYRZOKWFSY-MSOLQXFVSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001731262317 1427211061 /nfs/dbraw/zinc/21/10/61/1427211061.db2.gz KAWKYOXQUWETLI-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001731286638 1427230783 /nfs/dbraw/zinc/23/07/83/1427230783.db2.gz NHMQONKCILFGNF-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1ccsc1)C1CC1 ZINC001731333147 1427271964 /nfs/dbraw/zinc/27/19/64/1427271964.db2.gz GRPIRECGQYDNLE-GOSISDBHSA-N 2 0 349.544 3.092 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001731341740 1427279884 /nfs/dbraw/zinc/27/98/84/1427279884.db2.gz AYONPDYNLZOIDB-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001731351026 1427289922 /nfs/dbraw/zinc/28/99/22/1427289922.db2.gz SCEIBWOANXUYAM-UHFFFAOYSA-N 2 0 337.552 3.366 10 0 EGAERP CCCN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001731388151 1427337717 /nfs/dbraw/zinc/33/77/17/1427337717.db2.gz WFCZUKXTALJILI-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)(C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001731391319 1427344240 /nfs/dbraw/zinc/34/42/40/1427344240.db2.gz FRLRAAAWKJSOCV-IBGZPJMESA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001731402189 1427363075 /nfs/dbraw/zinc/36/30/75/1427363075.db2.gz JTIWOKAUCYVAIN-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001731425530 1427406751 /nfs/dbraw/zinc/40/67/51/1427406751.db2.gz NXCDALCUIGOCPA-VQTJNVASSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001731427309 1427408866 /nfs/dbraw/zinc/40/88/66/1427408866.db2.gz XTPCLJBGDLBZFW-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)(C)C ZINC001731461402 1427437316 /nfs/dbraw/zinc/43/73/16/1427437316.db2.gz HYCRKNYVQHFXGQ-FBVQUNGASA-N 2 0 335.536 3.019 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001731486200 1427460394 /nfs/dbraw/zinc/46/03/94/1427460394.db2.gz KJLCFBLGQWGHQZ-HRCADAONSA-N 2 0 349.494 3.101 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731513298 1427500928 /nfs/dbraw/zinc/50/09/28/1427500928.db2.gz BKSYSLZCETWVNE-XOUUWWQPSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001731561962 1427599313 /nfs/dbraw/zinc/59/93/13/1427599313.db2.gz RHBUWHJXFQZIBI-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001731568897 1427608443 /nfs/dbraw/zinc/60/84/43/1427608443.db2.gz GUHRVMDHQMNBOM-DAWZGUTISA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001731573940 1427617072 /nfs/dbraw/zinc/61/70/72/1427617072.db2.gz UOUNLNSWUVKKOK-QLOJAFMTSA-N 2 0 343.515 3.031 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001731604797 1427649191 /nfs/dbraw/zinc/64/91/91/1427649191.db2.gz WUSVNLCYRIOGCQ-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001731617395 1427665748 /nfs/dbraw/zinc/66/57/48/1427665748.db2.gz QGUULBNJADENIS-SJORKVTESA-N 2 0 325.541 3.029 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001731621431 1427672213 /nfs/dbraw/zinc/67/22/13/1427672213.db2.gz DAYJGIFOBJGEDX-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688283 1427736066 /nfs/dbraw/zinc/73/60/66/1427736066.db2.gz XNXZOPZMRUNSNJ-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001731712468 1427772429 /nfs/dbraw/zinc/77/24/29/1427772429.db2.gz RKJAVJMWONSDCA-GOSISDBHSA-N 2 0 339.568 3.323 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731851160 1428079955 /nfs/dbraw/zinc/07/99/55/1428079955.db2.gz VGUBJHZYGROHFV-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001731879930 1428148967 /nfs/dbraw/zinc/14/89/67/1428148967.db2.gz IHOBGYVZFOLKDR-LNLFQRSKSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C1CC1 ZINC001731879932 1428149645 /nfs/dbraw/zinc/14/96/45/1428149645.db2.gz IHOBGYVZFOLKDR-SCTDSRPQSA-N 2 0 343.515 3.059 10 0 EGAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731945729 1428178243 /nfs/dbraw/zinc/17/82/43/1428178243.db2.gz AFOMESCKTVCAOZ-FQEVSTJZSA-N 2 0 343.515 3.032 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001731962586 1428185415 /nfs/dbraw/zinc/18/54/15/1428185415.db2.gz XLZDDIJEOJMZSA-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733667574 1429861781 /nfs/dbraw/zinc/86/17/81/1429861781.db2.gz WPMYDCQAZDYQQI-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733671501 1429865732 /nfs/dbraw/zinc/86/57/32/1429865732.db2.gz JTCUSCXGFFTPCD-PMACEKPBSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001733695928 1429913564 /nfs/dbraw/zinc/91/35/64/1429913564.db2.gz RKENEUSFSITEBF-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001733725288 1429950708 /nfs/dbraw/zinc/95/07/08/1429950708.db2.gz CYISYIIHZNLXDE-AATRIKPKSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001733759304 1429973741 /nfs/dbraw/zinc/97/37/41/1429973741.db2.gz FUVHWKANZAOCKY-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC001733762726 1429979306 /nfs/dbraw/zinc/97/93/06/1429979306.db2.gz CJJNHFJIDBIODI-UXHICEINSA-N 2 0 345.531 3.278 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733806130 1430076688 /nfs/dbraw/zinc/07/66/88/1430076688.db2.gz ZDTVFEYFMYIAAZ-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001733813867 1430094107 /nfs/dbraw/zinc/09/41/07/1430094107.db2.gz RNZMZMRJAUHUOH-WIYYLYMNSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001733861581 1437691015 /nfs/dbraw/zinc/69/10/15/1437691015.db2.gz OZYYYVANUWYFHW-APWZRJJASA-N 2 0 345.531 3.235 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001733866314 1437694056 /nfs/dbraw/zinc/69/40/56/1437694056.db2.gz SOEMVJITIBYSTL-PXEQJPNCSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001733874708 1437700466 /nfs/dbraw/zinc/70/04/66/1437700466.db2.gz CMKGRMJVXRKYCQ-GHOSXJJBSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001733879108 1437706058 /nfs/dbraw/zinc/70/60/58/1437706058.db2.gz NSFISUCJRBBOOX-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@@H]1C ZINC001733899278 1437717335 /nfs/dbraw/zinc/71/73/35/1437717335.db2.gz GJMKLTZYPDVVDW-ICSRJNTNSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001733901059 1437719285 /nfs/dbraw/zinc/71/92/85/1437719285.db2.gz MQSTYCNHDJGEPQ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1c2ccccc2CC[N@@H+]1C(C)C)[NH+](CC)CC ZINC001733907680 1437726676 /nfs/dbraw/zinc/72/66/76/1437726676.db2.gz UJSNVNXIFNOMBL-VQTJNVASSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001733994673 1437788887 /nfs/dbraw/zinc/78/88/87/1437788887.db2.gz UFVLEOKBVOELIQ-IAGOWNOFSA-N 2 0 339.483 3.045 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001734020576 1437809641 /nfs/dbraw/zinc/80/96/41/1437809641.db2.gz VHZWAZJRXUGZMG-GOSISDBHSA-N 2 0 337.552 3.147 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C)C1 ZINC001734050681 1437840225 /nfs/dbraw/zinc/84/02/25/1437840225.db2.gz FSJBGTIZOXSSHG-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734078660 1437866114 /nfs/dbraw/zinc/86/61/14/1437866114.db2.gz AUFOZTBHTGYRHO-MOPGFXCFSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001734079248 1437866752 /nfs/dbraw/zinc/86/67/52/1437866752.db2.gz MPAQYWYKANVLQH-XAVKZTDYSA-N 2 0 343.943 3.076 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001734229769 1437950326 /nfs/dbraw/zinc/95/03/26/1437950326.db2.gz PKHDDGGJWISQIZ-QUCCMNQESA-N 2 0 345.531 3.081 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001734432145 1438095455 /nfs/dbraw/zinc/09/54/55/1438095455.db2.gz ZYEJKBBSDDWAFE-MJGOQNOKSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2 ZINC001734444036 1438105610 /nfs/dbraw/zinc/10/56/10/1438105610.db2.gz UGDGRPJOIYOYEU-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CCCc1ccc(C[N@@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@H]2C)cc1 ZINC001734453665 1438111197 /nfs/dbraw/zinc/11/11/97/1438111197.db2.gz AVQQZINFYBFEGD-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001734570554 1438164702 /nfs/dbraw/zinc/16/47/02/1438164702.db2.gz NZBNZLOMALPHLR-ZEVQVBBLSA-N 2 0 337.552 3.195 10 0 EGAERP CC[NH+]1CCC(C2(NC(=O)CC[N@H+](C)C3CCCCC3)CC2)CC1 ZINC001734607519 1438186701 /nfs/dbraw/zinc/18/67/01/1438186701.db2.gz VYWNPIFHWBTXDU-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CCC2CCCCC2)CC1 ZINC001734637611 1438196554 /nfs/dbraw/zinc/19/65/54/1438196554.db2.gz YWIAARIYBNTSIB-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001750928744 1440112042 /nfs/dbraw/zinc/11/20/42/1440112042.db2.gz ACLVKCIAYZEPLK-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1=CCCCC1 ZINC001750933393 1440114100 /nfs/dbraw/zinc/11/41/00/1440114100.db2.gz ZDSRGMUMDIBAPN-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000230099121 242231050 /nfs/dbraw/zinc/23/10/50/242231050.db2.gz BYGIPVHXBIQZRN-CEWLAPEOSA-N 2 0 339.483 3.334 10 0 EGAERP C[N@@H+](Cc1cc(Cl)cc2cccnc21)CC1CC[NH+](CCO)CC1 ZINC000071871561 203132509 /nfs/dbraw/zinc/13/25/09/203132509.db2.gz YMRLEBOEPVTELN-UHFFFAOYSA-N 2 0 347.890 3.024 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]Cc2cnc(-c3ccccc3)[nH]2)C[C@@H](C)O1 ZINC000175982747 207180204 /nfs/dbraw/zinc/18/02/04/207180204.db2.gz YAIKAUGNFIUNRB-IAGOWNOFSA-N 2 0 342.487 3.056 10 0 EGAERP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000268878493 252327021 /nfs/dbraw/zinc/32/70/21/252327021.db2.gz WZWKNYLINOADDZ-NRSPTQNISA-N 2 0 329.532 3.219 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[NH+](C3CC3)C2)cc1 ZINC000347904954 141213397 /nfs/dbraw/zinc/21/33/97/141213397.db2.gz XWYXUMWFMSWGCV-HXUWFJFHSA-N 2 0 343.515 3.227 10 0 EGAERP Cc1ccc2c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cc(=O)oc2c1 ZINC000171389216 144003110 /nfs/dbraw/zinc/00/31/10/144003110.db2.gz NIGIEPYWRMQVNH-UHFFFAOYSA-N 2 0 340.467 3.409 10 0 EGAERP Cc1nocc1CN1CC[C@]2(C1)CCC[N@H+](Cc1ccccc1)C2 ZINC000351508361 144271231 /nfs/dbraw/zinc/27/12/31/144271231.db2.gz HFMHHUXFUSOUAH-HXUWFJFHSA-N 2 0 325.456 3.471 10 0 EGAERP C[C@]1(CNC(=O)c2ccc3c[nH+]cn3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000341591113 155370459 /nfs/dbraw/zinc/37/04/59/155370459.db2.gz PILNCIPDVSLQLU-OAQYLSRUSA-N 2 0 348.450 3.119 10 0 EGAERP CCN(C)c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000191075047 153175280 /nfs/dbraw/zinc/17/52/80/153175280.db2.gz KGIGDJLZHCDJOB-UHFFFAOYSA-N 2 0 330.451 3.028 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCCOc2cc(C)c(C)cc21 ZINC000165999297 286443151 /nfs/dbraw/zinc/44/31/51/286443151.db2.gz KPCUSVIOECGDFL-MJGOQNOKSA-N 2 0 334.504 3.464 10 0 EGAERP OC[C@H]1CC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245655289 162873346 /nfs/dbraw/zinc/87/33/46/162873346.db2.gz DHONIHFWKCCXJL-RSMWHSHJSA-N 2 0 328.500 3.323 10 0 EGAERP CC(C)(C)OC(=O)[C@@H]1CCCN1Cc1cc(-n2ccnc2)cs1 ZINC000346159801 164352868 /nfs/dbraw/zinc/35/28/68/164352868.db2.gz DCOFQKXUOFCUJN-HNNXBMFYSA-N 2 0 333.457 3.240 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[C@H]2CC[C@@H](C1)[N@@H+]2C(C)C ZINC000346186844 164359328 /nfs/dbraw/zinc/35/93/28/164359328.db2.gz ZXMJLYMOKMQUPG-UXHICEINSA-N 2 0 339.487 3.023 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(OCCOC)cc2)CC1 ZINC000350174904 165015117 /nfs/dbraw/zinc/01/51/17/165015117.db2.gz DUABOOHBLLTNCG-UHFFFAOYSA-N 2 0 334.504 3.266 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)Cc2cccnc2)CC1 ZINC000350461185 165057727 /nfs/dbraw/zinc/05/77/27/165057727.db2.gz MGZZSPGNXXWOSC-UHFFFAOYSA-N 2 0 338.499 3.246 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000352049819 165209657 /nfs/dbraw/zinc/20/96/57/165209657.db2.gz TUNSEEARURYKOF-YZGWKJHDSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@H](C[NH2+]Cc1ccccc1-c1ccnn1C)C[NH+]1CCCCC1 ZINC000352163633 165264856 /nfs/dbraw/zinc/26/48/56/165264856.db2.gz FKGHKHVUFMWMAW-QGZVFWFLSA-N 2 0 326.488 3.299 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@@H]1O ZINC000360329943 167304197 /nfs/dbraw/zinc/30/41/97/167304197.db2.gz QDUWMXZETSJXSZ-SEPFQZFQSA-N 2 0 336.479 3.145 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(=O)OC)c(F)c2)CC1 ZINC000362469145 167767159 /nfs/dbraw/zinc/76/71/59/167767159.db2.gz RJQQZKVMKOPCIF-UHFFFAOYSA-N 2 0 336.451 3.166 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@H]1CCCN(C(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000353621491 287273877 /nfs/dbraw/zinc/27/38/77/287273877.db2.gz WEWSZQJOLHNCSK-VAMGGRTRSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1cc(C)cc(OCCC[N@@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)c1 ZINC000177710495 265273585 /nfs/dbraw/zinc/27/35/85/265273585.db2.gz BSNYNPVTEGVFQS-IBGZPJMESA-N 2 0 348.531 3.097 10 0 EGAERP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@@H](c3cncn3C)C1)CCC2 ZINC000278893063 275285186 /nfs/dbraw/zinc/28/51/86/275285186.db2.gz DXUMBMBGLBFFTP-JGGQBBKZSA-N 2 0 332.473 3.072 10 0 EGAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1 ZINC000282193377 275610349 /nfs/dbraw/zinc/61/03/49/275610349.db2.gz NKRIQHXYKBAGPG-NRSPTQNISA-N 2 0 328.500 3.312 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](C)[C@@H]2C[C@H]2c2ccccc2)CC1 ZINC000283418753 275721001 /nfs/dbraw/zinc/72/10/01/275721001.db2.gz RJECKGOKGZIGTB-QCFAMHMHSA-N 2 0 329.532 3.042 10 0 EGAERP CCN(C(=O)CC1CC[NH2+]CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000368454723 276060278 /nfs/dbraw/zinc/06/02/78/276060278.db2.gz VNXIVFICQKHXCL-YLJYHZDGSA-N 2 0 343.515 3.060 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)[C@@H](C)C1 ZINC000373482723 276216736 /nfs/dbraw/zinc/21/67/36/276216736.db2.gz HGXVBNTWAUGRRR-YJNKEBTESA-N 2 0 347.469 3.112 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCc3c2cccc3F)(N2CCCCC2)CC1 ZINC000338238871 276885525 /nfs/dbraw/zinc/88/55/25/276885525.db2.gz QEPRAJDXXJSTJR-HXUWFJFHSA-N 2 0 345.506 3.353 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@H]1CCC(C)(C)O1)C1CC[NH+](C)CC1 ZINC000189718451 277003056 /nfs/dbraw/zinc/00/30/56/277003056.db2.gz IPFJWWMKKYQQPO-LJQANCHMSA-N 2 0 345.531 3.264 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccccn1 ZINC000177133239 278341638 /nfs/dbraw/zinc/34/16/38/278341638.db2.gz IUDFPGSLURNEHB-DYESRHJHSA-N 2 0 339.483 3.178 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ncc(C(C)(C)C)o2)CC1 ZINC000175191501 278395684 /nfs/dbraw/zinc/39/56/84/278395684.db2.gz JKMPUOYHEMDHPS-CABCVRRESA-N 2 0 337.508 3.058 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@H]2C[NH+](C(C)C)C[C@H]2C)cc1)C(C)C ZINC000247378793 279235848 /nfs/dbraw/zinc/23/58/48/279235848.db2.gz PQVIUWVEUMIYMS-XLIONFOSSA-N 2 0 345.531 3.375 10 0 EGAERP C[C@]12C[C@H]1CCC[C@@H]2[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414303597 309071656 /nfs/dbraw/zinc/07/16/56/309071656.db2.gz LSBNBPRNHBZYKI-AABGKKOBSA-N 2 0 328.500 3.182 10 0 EGAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414337757 309073693 /nfs/dbraw/zinc/07/36/93/309073693.db2.gz KYXWYJDSJOSAGU-XNTOXWQXSA-N 2 0 328.500 3.323 10 0 EGAERP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CCO1 ZINC000248417687 308002500 /nfs/dbraw/zinc/00/25/00/308002500.db2.gz RNZVRTQSQRGFDR-UAFMIMERSA-N 2 0 328.500 3.444 10 0 EGAERP C[C@H]1C[C@H](C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)CC[NH2+]1 ZINC000414768239 309099649 /nfs/dbraw/zinc/09/96/49/309099649.db2.gz UOHIOBRWVGYEIW-JKSUJKDBSA-N 2 0 331.479 3.041 10 0 EGAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)c1 ZINC000414810270 309103045 /nfs/dbraw/zinc/10/30/45/309103045.db2.gz HRIFSFGECWZPKX-HUUCEWRRSA-N 2 0 341.455 3.222 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414826574 309104084 /nfs/dbraw/zinc/10/40/84/309104084.db2.gz FSIXWVKJPBSBEE-NWDGAFQWSA-N 2 0 329.257 3.108 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1)[NH+](C)C ZINC000413213860 309021860 /nfs/dbraw/zinc/02/18/60/309021860.db2.gz KIWRNUUUDYGUCN-YTQUADARSA-N 2 0 331.504 3.011 10 0 EGAERP c1ccc(COc2cccc(C[NH2+]CC[C@@H]3CCC[NH2+]C3)c2)nc1 ZINC000414855462 309105862 /nfs/dbraw/zinc/10/58/62/309105862.db2.gz WOMKMCOXMZYHAF-KRWDZBQOSA-N 2 0 325.456 3.140 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945387 309110623 /nfs/dbraw/zinc/11/06/23/309110623.db2.gz RKZOSMMISGKMBD-OUCADQQQSA-N 2 0 343.393 3.010 10 0 EGAERP COc1ccc(Cn2nc(C)c(C[NH2+][C@@H](C)CCCC[NH3+])c2C)cc1 ZINC000415012555 309114269 /nfs/dbraw/zinc/11/42/69/309114269.db2.gz JJRPEYXEZRNYBC-HNNXBMFYSA-N 2 0 344.503 3.164 10 0 EGAERP c1c2ccccc2sc1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415048170 309116527 /nfs/dbraw/zinc/11/65/27/309116527.db2.gz FTRWGJFAOOIQSJ-UHFFFAOYSA-N 2 0 329.513 3.207 10 0 EGAERP Cc1ccc([C@@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053312 309116812 /nfs/dbraw/zinc/11/68/12/309116812.db2.gz MMHUSZKTJPCGRD-UJKMTWAASA-N 2 0 341.543 3.437 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCCC[C@@H]2[C@H]2CC[NH2+]C2)cc1F ZINC000415057076 309117103 /nfs/dbraw/zinc/11/71/03/309117103.db2.gz TVJBWXVGAXHEQX-VDZJLULYSA-N 2 0 334.479 3.477 10 0 EGAERP C[C@@H](C[NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(Cl)c1 ZINC000415057678 309117274 /nfs/dbraw/zinc/11/72/74/309117274.db2.gz SBHGHDKJPOPOPZ-MNNVXMFVSA-N 2 0 335.923 3.250 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415894941 309146610 /nfs/dbraw/zinc/14/66/10/309146610.db2.gz AMFKEKFQQCNOEG-IYBDPMFKSA-N 2 0 346.519 3.284 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1cccs1)[NH+](C)C ZINC000415944426 309150513 /nfs/dbraw/zinc/15/05/13/309150513.db2.gz PDAUCDGPJRGBHC-MRXNPFEDSA-N 2 0 346.500 3.282 10 0 EGAERP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](C)[C@@H](C[NH3+])C3)CCC2)c1 ZINC000420406375 309286926 /nfs/dbraw/zinc/28/69/26/309286926.db2.gz NUVWQHJXUYRTON-MJGOQNOKSA-N 2 0 346.515 3.299 10 0 EGAERP COc1ccccc1-c1ncc(C[NH2+]C2CCC([NH+](C)C)CC2)cn1 ZINC000421376888 309321714 /nfs/dbraw/zinc/32/17/14/309321714.db2.gz RCEJQZDHOKCOTG-UHFFFAOYSA-N 2 0 340.471 3.115 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccc1F ZINC000422743379 309366309 /nfs/dbraw/zinc/36/63/09/309366309.db2.gz IKKJEUYDWPQCTN-YZGWKJHDSA-N 3 0 333.495 3.288 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422811824 309369692 /nfs/dbraw/zinc/36/96/92/309369692.db2.gz POVQUSMJZPTGBI-QLFBSQMISA-N 2 0 340.414 3.307 10 0 EGAERP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422824397 309370396 /nfs/dbraw/zinc/37/03/96/309370396.db2.gz GZZFRXHJYAQBDJ-GBESFXJTSA-N 2 0 328.504 3.082 10 0 EGAERP C[C@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833447 309370831 /nfs/dbraw/zinc/37/08/31/309370831.db2.gz GWTXBPQLARHAGI-LSDHHAIUSA-N 2 0 330.501 3.118 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866358 309372666 /nfs/dbraw/zinc/37/26/66/309372666.db2.gz QGFZBZJQSGZPCZ-RZAIGCCYSA-N 2 0 329.394 3.278 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(N2CCCCC2)c1 ZINC000422894942 309374701 /nfs/dbraw/zinc/37/47/01/309374701.db2.gz DPEJJSSSQJFUIQ-HNNXBMFYSA-N 2 0 339.487 3.085 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCCCC[C@H]2[NH3+])CCOCC1 ZINC000422895722 309374802 /nfs/dbraw/zinc/37/48/02/309374802.db2.gz GKFFYHURCIAVSO-RTBURBONSA-N 2 0 346.515 3.301 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(OC)cc2)CCCCC1 ZINC000422903370 309375404 /nfs/dbraw/zinc/37/54/04/309375404.db2.gz OKWQOPXSDJZYRJ-SFHVURJKSA-N 2 0 334.504 3.241 10 0 EGAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000422930678 309376542 /nfs/dbraw/zinc/37/65/42/309376542.db2.gz VLZBZCZTYXFFDE-FXAWDEMLSA-N 2 0 343.515 3.192 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC1CCCCC1 ZINC000422935435 309376962 /nfs/dbraw/zinc/37/69/62/309376962.db2.gz AKCPKDFKCIRWPL-UYAOXDASSA-N 2 0 330.472 3.181 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422937294 309377048 /nfs/dbraw/zinc/37/70/48/309377048.db2.gz JJDCNIQQMXXXTF-OAHLLOKOSA-N 2 0 341.293 3.172 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000423009806 309380746 /nfs/dbraw/zinc/38/07/46/309380746.db2.gz DZFMFJSEJRSXIA-CEWLAPEOSA-N 2 0 335.451 3.378 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H](C)CCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423033881 309382292 /nfs/dbraw/zinc/38/22/92/309382292.db2.gz OZQFUFDXDDVYDD-ULFGMLNVSA-N 2 0 343.437 3.346 10 0 EGAERP COc1ccc([C@H](NCC2(C[NH+](C)C)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423041883 309382639 /nfs/dbraw/zinc/38/26/39/309382639.db2.gz XZYIKPOZANYAHI-UXHICEINSA-N 2 0 345.531 3.200 10 0 EGAERP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000423096997 309385753 /nfs/dbraw/zinc/38/57/53/309385753.db2.gz QFVWYJNRBSQCSG-WSIUPNEHSA-N 2 0 334.891 3.333 10 0 EGAERP Fc1cc(F)c2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000423142835 309388133 /nfs/dbraw/zinc/38/81/33/309388133.db2.gz BJDBXDRNAIOMTG-WZGPROSRSA-N 2 0 336.426 3.089 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCC1CCOCC1 ZINC000423143867 309388251 /nfs/dbraw/zinc/38/82/51/309388251.db2.gz FFORFSLVBQIJJD-QUCCMNQESA-N 2 0 330.472 3.039 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C)[C@H]2CCC[NH2+]C2)CC1 ZINC000423215245 309390762 /nfs/dbraw/zinc/39/07/62/309390762.db2.gz MQEGGSNXSBDTFC-HBFSDRIKSA-N 2 0 329.532 3.060 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCc2ncc(C(F)(F)F)cc21)[C@H]1CCC[NH2+]C1 ZINC000423221864 309391242 /nfs/dbraw/zinc/39/12/42/309391242.db2.gz YMQJODIZOMOQQT-MQIPJXDCSA-N 2 0 327.394 3.456 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CC[C@H]1CCC[NH2+]C1)CCC2 ZINC000423257645 309392622 /nfs/dbraw/zinc/39/26/22/309392622.db2.gz KMWXOZSGAKIIEY-IUODEOHRSA-N 2 0 327.394 3.457 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@@H]2NCC[NH2+]C1CCCCCC1 ZINC000423281245 309393832 /nfs/dbraw/zinc/39/38/32/309393832.db2.gz BAPJCBGPTVKNPV-FPOVZHCZSA-N 2 0 343.515 3.144 10 0 EGAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423293662 309394249 /nfs/dbraw/zinc/39/42/49/309394249.db2.gz RWACETWYXGXVIA-GJZGRUSLSA-N 2 0 341.455 3.222 10 0 EGAERP C[C@@]1(CN[C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC[NH2+]C1 ZINC000423333608 309395660 /nfs/dbraw/zinc/39/56/60/309395660.db2.gz HXYQENUDLKALIA-PLACYPQZSA-N 2 0 327.516 3.161 10 0 EGAERP [NH3+]C[C@H]1CC[C@H](C[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000423418150 309399406 /nfs/dbraw/zinc/39/94/06/309399406.db2.gz GVDHWXYNUIVGRR-DOXZYTNZSA-N 2 0 328.435 3.060 10 0 EGAERP Cn1ccc([C@H]([NH2+]CCC2=CC[NH2+]CC2)c2ccc(Cl)cc2)n1 ZINC000423541467 309405817 /nfs/dbraw/zinc/40/58/17/309405817.db2.gz RXUJBPGLNAYJOT-GOSISDBHSA-N 2 0 330.863 3.062 10 0 EGAERP C[C@]12C[C@H]1CCC[C@H]2[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423578719 309406478 /nfs/dbraw/zinc/40/64/78/309406478.db2.gz UVRDBGVIPJSYTO-AQNXPRMDSA-N 2 0 327.516 3.148 10 0 EGAERP CN(c1ccccc1C[NH+]1CC(CC(F)F)C1)C1CC[NH+](C)CC1 ZINC000425364118 309476359 /nfs/dbraw/zinc/47/63/59/309476359.db2.gz FIDOKWPNUJIDJV-UHFFFAOYSA-N 2 0 337.458 3.304 10 0 EGAERP c1ccc(-c2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)cn2)nc1 ZINC000425407436 309478607 /nfs/dbraw/zinc/47/86/07/309478607.db2.gz PIAFORKGUWZZHX-UHFFFAOYSA-N 2 0 336.483 3.451 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CCCC1 ZINC000449083392 310035688 /nfs/dbraw/zinc/03/56/88/310035688.db2.gz TXXWAZVVOCDTBB-IBGZPJMESA-N 2 0 330.520 3.282 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C[C@H](C)O)CC1 ZINC000449155569 310041005 /nfs/dbraw/zinc/04/10/05/310041005.db2.gz BHRNGVQFLORQDD-MSOLQXFVSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@@H]2C)CC1 ZINC000449346438 310055732 /nfs/dbraw/zinc/05/57/32/310055732.db2.gz ZHGAFTNNQZBXKH-WAOWUJCRSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H]([NH2+]CC1(CF)CCOCC1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449489783 310066235 /nfs/dbraw/zinc/06/62/35/310066235.db2.gz UJHLQBIAWMZVFG-MJGOQNOKSA-N 2 0 334.479 3.253 10 0 EGAERP C[C@@H]1CC[C@H](C(=O)NCC2([NH+]3CCCCC3)CCN(C)CC2)C[C@H]1C ZINC000449967328 310096479 /nfs/dbraw/zinc/09/64/79/310096479.db2.gz UDRAXAORHHAGHY-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450396580 310120088 /nfs/dbraw/zinc/12/00/88/310120088.db2.gz WEUNEKWQJCGCGS-JVNGFTGRSA-N 2 0 327.516 3.192 10 0 EGAERP COC1([C@@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCOCC1 ZINC000453059187 310255098 /nfs/dbraw/zinc/25/50/98/310255098.db2.gz LWSFHDUNNAILIE-QGZVFWFLSA-N 2 0 334.504 3.201 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H](c2cccc(F)c2)[NH+](C)C)CCCCC1 ZINC000460289904 310581680 /nfs/dbraw/zinc/58/16/80/310581680.db2.gz RCVYZHIYTZBSOK-GOSISDBHSA-N 2 0 349.494 3.057 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474894591 310801039 /nfs/dbraw/zinc/80/10/39/310801039.db2.gz SSIISKMFBUNCAW-NRFANRHFSA-N 2 0 331.548 3.434 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510994196 312152720 /nfs/dbraw/zinc/15/27/20/312152720.db2.gz AGRFRZUHPXOYRD-JRGCBEDISA-N 2 0 341.543 3.359 10 0 EGAERP CCOc1cc2c(cc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]3CCC[C@@H]31)O[C@H](C)C2 ZINC000513754771 312217336 /nfs/dbraw/zinc/21/73/36/312217336.db2.gz NIOIAUHYPYPSQG-UTRMSSBJSA-N 2 0 344.499 3.371 10 0 EGAERP Cc1ccc(C)c(OC[C@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1C ZINC000519545654 312459382 /nfs/dbraw/zinc/45/93/82/312459382.db2.gz XTTQCIHJLBGHSD-SOAGJPPSSA-N 2 0 348.531 3.062 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)OC)c1 ZINC000530206324 313496379 /nfs/dbraw/zinc/49/63/79/313496379.db2.gz ANJISLHSVTYRQZ-WTGUMLROSA-N 2 0 332.488 3.283 10 0 EGAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]CCCC2CCCCC2)c1 ZINC000561953280 315791072 /nfs/dbraw/zinc/79/10/72/315791072.db2.gz OQVSVGZNJQHHHK-UHFFFAOYSA-N 2 0 345.531 3.428 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000563931188 316091784 /nfs/dbraw/zinc/09/17/84/316091784.db2.gz NETHZYOGISFLOJ-IBGZPJMESA-N 2 0 345.531 3.278 10 0 EGAERP CCn1nccc1CC[NH+]1CCC(CC[N@H+](CC)CC2CC2)CC1 ZINC000564740269 316197666 /nfs/dbraw/zinc/19/76/66/316197666.db2.gz JSDKKTHBNXIHRP-UHFFFAOYSA-N 2 0 332.536 3.280 10 0 EGAERP C[C@H](Cc1cnn(C)c1)[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000565362504 316314941 /nfs/dbraw/zinc/31/49/41/316314941.db2.gz FSFVUIHVFZTUDV-XLIONFOSSA-N 2 0 338.499 3.138 10 0 EGAERP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)C(F)(F)F ZINC000570445088 317056379 /nfs/dbraw/zinc/05/63/79/317056379.db2.gz WGJTVDYZSQJXAV-INIZCTEOSA-N 2 0 330.394 3.075 10 0 EGAERP COc1ccc([C@H](NCC2([NH3+])CCCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000570507828 317065448 /nfs/dbraw/zinc/06/54/48/317065448.db2.gz BRPMTOAZWPKESJ-MOPGFXCFSA-N 2 0 331.504 3.130 10 0 EGAERP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@H]1CCC[NH2+]C1 ZINC000570792644 317108001 /nfs/dbraw/zinc/10/80/01/317108001.db2.gz ZHJIKDGKUKXGNZ-IHPCNDPISA-N 2 0 329.532 3.265 10 0 EGAERP COc1cc2c(cc1C[NH2+]Cc1ccc([C@H](C)[NH3+])cc1)O[C@H](C)C2 ZINC000572129215 317295725 /nfs/dbraw/zinc/29/57/25/317295725.db2.gz COJATTDOLUGVEC-KGLIPLIRSA-N 2 0 326.440 3.328 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCC4CCOCC4)[C@@H]3C2)cc1 ZINC000384069186 324258554 /nfs/dbraw/zinc/25/85/54/324258554.db2.gz UYQGEHADFWPESU-PWRODBHTSA-N 2 0 328.500 3.303 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000582414510 325439480 /nfs/dbraw/zinc/43/94/80/325439480.db2.gz XXCCCMJWEPWNMX-HNNXBMFYSA-N 2 0 339.277 3.252 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)C[C@H](C)O1 ZINC000241965684 455270468 /nfs/dbraw/zinc/27/04/68/455270468.db2.gz UUYSRAQLRODBNB-UYPUKZBLSA-N 2 0 328.500 3.443 10 0 EGAERP Cc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c(O[C@@H]2CCOC2)c1 ZINC000623446617 460554258 /nfs/dbraw/zinc/55/42/58/460554258.db2.gz KWIXSXUHTAZACO-ZWKOTPCHSA-N 2 0 332.488 3.125 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)[C@@H](C)C1 ZINC000245650568 455348407 /nfs/dbraw/zinc/34/84/07/455348407.db2.gz HGPAVKUCJZERCM-HOCLYGCPSA-N 2 0 332.517 3.311 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623560396 460612375 /nfs/dbraw/zinc/61/23/75/460612375.db2.gz DRKXYSSOIRKBRA-BJHJDKERSA-N 2 0 334.357 3.197 10 0 EGAERP CCCc1noc(-c2cccc(C[NH2+][C@H]3CC[N@@H+]4CCC[C@@H]4C3)c2)n1 ZINC000095974228 454245669 /nfs/dbraw/zinc/24/56/69/454245669.db2.gz KKSBHKYPLBQZGG-ZWKOTPCHSA-N 2 0 340.471 3.406 10 0 EGAERP CC[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000132432350 454337653 /nfs/dbraw/zinc/33/76/53/454337653.db2.gz LWRGXMXEQDZLSY-WOJBJXKFSA-N 2 0 333.520 3.008 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)Cc1ccccc1 ZINC000048308675 454471494 /nfs/dbraw/zinc/47/14/94/454471494.db2.gz IHCDQQFVRCVTQF-FQEVSTJZSA-N 2 0 345.531 3.135 10 0 EGAERP COc1cc(Br)ccc1C[N@H+](C)CC1CC[NH+](C)CC1 ZINC000182160180 455449430 /nfs/dbraw/zinc/44/94/30/455449430.db2.gz AKIHSKHGILSFSW-UHFFFAOYSA-N 2 0 341.293 3.231 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cc(C(=O)OC)oc2C)CC1 ZINC000050031320 454568715 /nfs/dbraw/zinc/56/87/15/454568715.db2.gz SOBBFVCEPLDZKB-UHFFFAOYSA-N 2 0 336.476 3.319 10 0 EGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000124253022 454709732 /nfs/dbraw/zinc/70/97/32/454709732.db2.gz FJBKJEIMYQIQBW-DLPLYFIVSA-N 2 0 333.435 3.490 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(F)cc2)[C@H](C)C1 ZINC000093639228 454725665 /nfs/dbraw/zinc/72/56/65/454725665.db2.gz QSMKNAKSCCZKHK-RDTXWAMCSA-N 2 0 330.451 3.378 10 0 EGAERP CCC[C@H](C(=O)N(CC)C[C@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000162370912 454771004 /nfs/dbraw/zinc/77/10/04/454771004.db2.gz OVSKHBACKXAWAN-VQTJNVASSA-N 2 0 345.531 3.087 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1ccc(F)cc1OC(F)F ZINC000163437347 454847613 /nfs/dbraw/zinc/84/76/13/454847613.db2.gz IPAPABQIJAOBNH-OCCSQVGLSA-N 2 0 346.393 3.189 10 0 EGAERP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CSCCS3)CC2)cc1 ZINC000165733301 454904114 /nfs/dbraw/zinc/90/41/14/454904114.db2.gz BEUNHYGXIHWFPH-GOSISDBHSA-N 2 0 336.570 3.132 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CC(=O)Nc1ccc(C)c(Cl)c1 ZINC000178308677 454947328 /nfs/dbraw/zinc/94/73/28/454947328.db2.gz JVHUEQTXCNSGLC-INIZCTEOSA-N 2 0 346.862 3.256 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@@H]2C)cc1)C(C)C ZINC000155235523 454977493 /nfs/dbraw/zinc/97/74/93/454977493.db2.gz FIFCCYJGAJJQMM-CALCHBBNSA-N 2 0 331.504 3.082 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157222133 455174903 /nfs/dbraw/zinc/17/49/03/455174903.db2.gz VGYAZGOETIEMGJ-BEFAXECRSA-N 2 0 340.458 3.234 10 0 EGAERP CC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)OCCCO1 ZINC000190648242 455359989 /nfs/dbraw/zinc/35/99/89/455359989.db2.gz BBPXXABRCOUSJL-SLFFLAALSA-N 2 0 344.499 3.030 10 0 EGAERP CCOCc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245728744 455366419 /nfs/dbraw/zinc/36/64/19/455366419.db2.gz JIJKPEBTUPABFJ-LPHOPBHVSA-N 2 0 334.504 3.394 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC(C[NH+]2CCOCC2)CC1 ZINC000185275237 455532965 /nfs/dbraw/zinc/53/29/65/455532965.db2.gz JNHBAAFFXDCCFE-UHFFFAOYSA-N 2 0 339.483 3.400 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000185323728 455539812 /nfs/dbraw/zinc/53/98/12/455539812.db2.gz UUEPMISBNXTYFY-KRWDZBQOSA-N 2 0 325.456 3.010 10 0 EGAERP C[NH+](C)CC(C)(C)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000192589553 455646839 /nfs/dbraw/zinc/64/68/39/455646839.db2.gz SAPBCHPJPTVNHX-IHWFROFDSA-N 2 0 329.532 3.359 10 0 EGAERP Cc1ccc2c(c1)OCCC[C@H]2[NH2+]CCCC[N@@H+]1CCC[C@H]1CO ZINC000248144409 455688206 /nfs/dbraw/zinc/68/82/06/455688206.db2.gz PYOOPFUKOOWIGW-PKOBYXMFSA-N 2 0 332.488 3.035 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000268906588 455726120 /nfs/dbraw/zinc/72/61/20/455726120.db2.gz QCOGDVVLGBSVGD-SFHVURJKSA-N 2 0 345.531 3.296 10 0 EGAERP C[C@H](CC(=O)N(C)Cc1cccc(Cl)c1)[NH2+]CCCC[NH+](C)C ZINC000269041186 455772826 /nfs/dbraw/zinc/77/28/26/455772826.db2.gz UATDTINSDLRKMX-OAHLLOKOSA-N 2 0 339.911 3.008 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000269052876 455777412 /nfs/dbraw/zinc/77/74/12/455777412.db2.gz RNXKPUALALHIOC-POAQFYNOSA-N 2 0 344.524 3.456 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@@H](O)c3c(F)cccc3F)C2)[nH+]1 ZINC000249894309 455781973 /nfs/dbraw/zinc/78/19/73/455781973.db2.gz REVROGNZVIKDAJ-WMLDXEAASA-N 2 0 347.409 3.136 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@@H](O)c3c(F)cccc3F)C2)[nH+]1 ZINC000249894306 455783196 /nfs/dbraw/zinc/78/31/96/455783196.db2.gz REVROGNZVIKDAJ-RHSMWYFYSA-N 2 0 347.409 3.136 10 0 EGAERP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@@H]1CCCN1CCc1ccccc1 ZINC000253416032 455841550 /nfs/dbraw/zinc/84/15/50/455841550.db2.gz NSBLRDUUYODXFV-LEWJYISDSA-N 2 0 340.515 3.204 10 0 EGAERP COc1cc(CCC2CC[NH+](C[C@@]3(C)CC[NH2+]C3)CC2)cc(OC)c1 ZINC000261898232 455967307 /nfs/dbraw/zinc/96/73/07/455967307.db2.gz VJYQHLGVAOYHNV-NRFANRHFSA-N 2 0 346.515 3.348 10 0 EGAERP CCc1nccn1[C@@H]1CCCN(c2nc(C)nc3c2CCCC3)C1 ZINC000272843557 456087647 /nfs/dbraw/zinc/08/76/47/456087647.db2.gz JDVDWDSDZKWBAN-OAHLLOKOSA-N 2 0 325.460 3.264 10 0 EGAERP Cc1cccc2c(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)cc[nH+]c12 ZINC000301695439 456189864 /nfs/dbraw/zinc/18/98/64/456189864.db2.gz YKNOQJOURQGNPQ-GOSISDBHSA-N 2 0 338.499 3.150 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CCN(C[C@H]4CCCC[N@H+]4C)CC3)c2c1 ZINC000302149945 456301030 /nfs/dbraw/zinc/30/10/30/456301030.db2.gz JWOVSFCJPKIBOG-GOSISDBHSA-N 2 0 338.499 3.150 10 0 EGAERP O[C@H](C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048557 456400101 /nfs/dbraw/zinc/40/01/01/456400101.db2.gz LXWNAMCKJFBBGO-VQIMIIECSA-N 2 0 343.446 3.272 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1c1ccccc1 ZINC000340377042 456423766 /nfs/dbraw/zinc/42/37/66/456423766.db2.gz JSZPIFHXAKWIOA-CTNGQTDRSA-N 2 0 345.531 3.450 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[C@H]21 ZINC000340467735 456477738 /nfs/dbraw/zinc/47/77/38/456477738.db2.gz TXPLVKKMVIQNCL-HRCADAONSA-N 2 0 327.394 3.105 10 0 EGAERP C[C@@H]1C[C@H](NC[C@@H]2C[NH+](Cc3ccccc3)CC23CCC3)CC[N@@H+]1C ZINC000658320039 462476625 /nfs/dbraw/zinc/47/66/25/462476625.db2.gz MLZCUWRJMQQBQT-HMXCVIKNSA-N 2 0 341.543 3.361 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)CN1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000322107534 456645235 /nfs/dbraw/zinc/64/52/35/456645235.db2.gz NSVQTMVDCMDWPR-GOEBONIOSA-N 2 0 335.879 3.051 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)C[N@@H+]1Cc1ccccc1 ZINC000353396009 456672302 /nfs/dbraw/zinc/67/23/02/456672302.db2.gz SOJXKGWWSSPIRE-OBJCFNGXSA-N 2 0 327.516 3.112 10 0 EGAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)C1CC[NH+](C2CC2)CC1 ZINC000283055522 456701203 /nfs/dbraw/zinc/70/12/03/456701203.db2.gz WDYYKSWWYWUTSX-UHFFFAOYSA-N 2 0 327.472 3.095 10 0 EGAERP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000353525323 456736245 /nfs/dbraw/zinc/73/62/45/456736245.db2.gz YGFDOSUNAJBHQI-SFHVURJKSA-N 2 0 338.499 3.251 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2cc[nH]c2n1)c1ccc(OCC[NH+](C)C)cc1 ZINC000353633386 456816773 /nfs/dbraw/zinc/81/67/73/456816773.db2.gz XGICZDOEBFHSDZ-HNNXBMFYSA-N 2 0 338.455 3.354 10 0 EGAERP Cc1ccc(C[NH+]2CCC(c3ncc[nH]3)CC2)c(-c2ccnn2C)c1 ZINC000338948114 456868508 /nfs/dbraw/zinc/86/85/08/456868508.db2.gz LGGPJOMITCGSOL-UHFFFAOYSA-N 2 0 335.455 3.498 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000354085313 457052686 /nfs/dbraw/zinc/05/26/86/457052686.db2.gz VRKYDRNLJYRANI-INIZCTEOSA-N 2 0 339.549 3.274 10 0 EGAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000354206418 457130321 /nfs/dbraw/zinc/13/03/21/457130321.db2.gz JVIDJEQSLSWMEH-MISYRCLQSA-N 2 0 328.500 3.161 10 0 EGAERP C[C@H](Cc1cnccn1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000347385085 457394157 /nfs/dbraw/zinc/39/41/57/457394157.db2.gz ZRINQQAHYSGLMV-TYGFWLQKSA-N 2 0 336.483 3.193 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390867969 457447659 /nfs/dbraw/zinc/44/76/59/457447659.db2.gz NPQDGOPZYPZXQW-QNXAMLQOSA-N 2 0 327.516 3.289 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncn2C(C)C)CC1 ZINC000425338492 457504630 /nfs/dbraw/zinc/50/46/30/457504630.db2.gz PUKVKKILRRXWNL-UHFFFAOYSA-N 2 0 336.524 3.034 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400588645 457519025 /nfs/dbraw/zinc/51/90/25/457519025.db2.gz SWPKFSLFHALBPW-HZPDHXFCSA-N 2 0 339.524 3.096 10 0 EGAERP Cc1cncc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000402708679 457533067 /nfs/dbraw/zinc/53/30/67/457533067.db2.gz QZSPUFSOXINHPG-SEJPIABJSA-N 2 0 336.483 3.113 10 0 EGAERP COC[C@@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C1CCOCC1 ZINC000364846913 457704491 /nfs/dbraw/zinc/70/44/91/457704491.db2.gz KZFVPRAEXLDTBX-RTWAWAEBSA-N 2 0 346.515 3.072 10 0 EGAERP CN1CCC([NH+]2CCC(CC[N@H+](C)CCc3ccccc3)CC2)CC1 ZINC000371155570 457811410 /nfs/dbraw/zinc/81/14/10/457811410.db2.gz IEHUPOFSBIOSEO-UHFFFAOYSA-N 2 0 343.559 3.357 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCCC1 ZINC000426977605 457931832 /nfs/dbraw/zinc/93/18/32/457931832.db2.gz LYMPRCDAKCSRTB-RTBURBONSA-N 2 0 343.515 3.060 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCCC1 ZINC000426977603 457932719 /nfs/dbraw/zinc/93/27/19/457932719.db2.gz LYMPRCDAKCSRTB-OALUTQOASA-N 2 0 343.515 3.060 10 0 EGAERP Cc1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)on1 ZINC000376113329 458199858 /nfs/dbraw/zinc/19/98/58/458199858.db2.gz HSEDJLMODTUMHQ-REPLKXPHSA-N 2 0 325.456 3.311 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)n1 ZINC000358770615 458206231 /nfs/dbraw/zinc/20/62/31/458206231.db2.gz JKMRPOVHOYBJPD-LPHOPBHVSA-N 2 0 331.504 3.265 10 0 EGAERP C[N@@H+]1CCC[C@@H](CNC2CC[NH+](C3CC3)CC2)[C@H]1c1cccs1 ZINC000459439470 458371351 /nfs/dbraw/zinc/37/13/51/458371351.db2.gz TZTXAXCOOOEXNW-KXBFYZLASA-N 2 0 333.545 3.347 10 0 EGAERP C[C@H](CCC[NH3+])[NH2+][C@H]1CCCOc2ccc(Br)cc21 ZINC000423462932 458436628 /nfs/dbraw/zinc/43/66/28/458436628.db2.gz UUVHAHAQTHXRMH-RISCZKNCSA-N 2 0 327.266 3.380 10 0 EGAERP C[C@H]1CCc2c(F)cccc2[C@@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521794 458451158 /nfs/dbraw/zinc/45/11/58/458451158.db2.gz TXOFZXMJTJHFGN-FWTVCXRTSA-N 2 0 345.506 3.255 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000459798849 458481633 /nfs/dbraw/zinc/48/16/33/458481633.db2.gz YCMLXJXDVUMWQT-CYBMUJFWSA-N 2 0 341.293 3.279 10 0 EGAERP Cc1ccc([C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)[NH+](C)C)cc1 ZINC000460199714 458504994 /nfs/dbraw/zinc/50/49/94/458504994.db2.gz DVSHWVOVLZLHSL-IBGZPJMESA-N 2 0 345.531 3.226 10 0 EGAERP OCCN1CCCC[C@H]1C[NH2+][C@H]1CCSc2c(Cl)cccc21 ZINC000453273253 458522706 /nfs/dbraw/zinc/52/27/06/458522706.db2.gz VNKNMABJPJXLLU-BBRMVZONSA-N 2 0 340.920 3.313 10 0 EGAERP CCc1ccc([C@@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000431556765 458587373 /nfs/dbraw/zinc/58/73/73/458587373.db2.gz MFKIOPAAFROJHQ-WOJBJXKFSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+]C2CC(OCc3ccccc3)C2)C[C@@H](C)O1 ZINC000493977334 458608577 /nfs/dbraw/zinc/60/85/77/458608577.db2.gz NGSIAXWUUXAPCP-IGBVOLGGSA-N 2 0 346.515 3.213 10 0 EGAERP C[C@H](CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[S@@](C)=O ZINC000438845346 458621417 /nfs/dbraw/zinc/62/14/17/458621417.db2.gz YOVQSPVMWSAKHQ-ANVCCXGISA-N 2 0 336.545 3.176 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@H]1C ZINC000495067028 458791283 /nfs/dbraw/zinc/79/12/83/458791283.db2.gz HQNCFMPUAWAJTN-WWMYMODYSA-N 2 0 346.515 3.310 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000519242476 458928861 /nfs/dbraw/zinc/92/88/61/458928861.db2.gz OCVMKLIOGQGWRP-ICSRJNTNSA-N 2 0 333.564 3.469 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](O)C1CCCCC1 ZINC000475336525 458936062 /nfs/dbraw/zinc/93/60/62/458936062.db2.gz SPJFOWNGUKCQAI-DUXKGJEZSA-N 2 0 330.516 3.428 10 0 EGAERP O=C(CC[NH2+]C1CC([NH+]2CCCCC2)C1)Nc1ccc(Cl)cc1 ZINC000576936450 458950332 /nfs/dbraw/zinc/95/03/32/458950332.db2.gz HPMGIRISOXEUGZ-UHFFFAOYSA-N 2 0 335.879 3.275 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+]([C@H](C)CCc2cccc(F)c2)CC1 ZINC000475617887 458955342 /nfs/dbraw/zinc/95/53/42/458955342.db2.gz SSNSTNMQQUIUMN-MRXNPFEDSA-N 2 0 343.446 3.373 10 0 EGAERP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000519777226 459003903 /nfs/dbraw/zinc/00/39/03/459003903.db2.gz YSQJXTUGSUDMMU-XUVXKRRUSA-N 2 0 328.500 3.324 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000556920975 459032460 /nfs/dbraw/zinc/03/24/60/459032460.db2.gz RNXIUZQYFBQDPQ-HLAWJBBLSA-N 3 0 329.532 3.361 10 0 EGAERP C[C@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000577607366 459060409 /nfs/dbraw/zinc/06/04/09/459060409.db2.gz MDQYVNHSVLNCEU-ZDUSSCGKSA-N 2 0 344.484 3.137 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CCC1CC[NH+](C)CC1)CCC2 ZINC000594494458 459060711 /nfs/dbraw/zinc/06/07/11/459060711.db2.gz GLDUHBVEQOJHIY-LJQANCHMSA-N 2 0 330.472 3.172 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1C[C@H]3CC[C@@H](C1)[N@H+]3C)CCC2 ZINC000594506754 459066944 /nfs/dbraw/zinc/06/69/44/459066944.db2.gz XTTMXAXHTDXICE-RGPMPMONSA-N 2 0 328.456 3.065 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000557365653 459067122 /nfs/dbraw/zinc/06/71/22/459067122.db2.gz AEIPQQWRZHYDFX-LLUDDFSJSA-N 2 0 346.515 3.134 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1 ZINC000567275328 459076930 /nfs/dbraw/zinc/07/69/30/459076930.db2.gz FYQPREYEIUQDDL-OAQYLSRUSA-N 2 0 343.515 3.134 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1 ZINC000567275327 459076994 /nfs/dbraw/zinc/07/69/94/459076994.db2.gz FYQPREYEIUQDDL-NRFANRHFSA-N 2 0 343.515 3.134 10 0 EGAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448112 459090034 /nfs/dbraw/zinc/09/00/34/459090034.db2.gz MQQOAPMAQIYDAF-UWJYYQICSA-N 2 0 329.532 3.491 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCCn2c3ccccc3[nH]c2=O)CC1 ZINC000532478732 459096930 /nfs/dbraw/zinc/09/69/30/459096930.db2.gz JGTODVXGCUWMMY-UHFFFAOYSA-N 2 0 344.503 3.186 10 0 EGAERP C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000558423829 459157891 /nfs/dbraw/zinc/15/78/91/459157891.db2.gz PHIMKLAEMYCBHS-RDJZCZTQSA-N 2 0 328.485 3.121 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595054969 459229430 /nfs/dbraw/zinc/22/94/30/459229430.db2.gz QUOMBPSBIMGOAY-MJGOQNOKSA-N 2 0 346.515 3.466 10 0 EGAERP CC1CCC(O)(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000481210054 459238639 /nfs/dbraw/zinc/23/86/39/459238639.db2.gz ZIBUGLCZOCDBIR-YWDUDDICSA-N 2 0 330.516 3.428 10 0 EGAERP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)[NH+](C)C)cc1 ZINC000560531868 459367527 /nfs/dbraw/zinc/36/75/27/459367527.db2.gz FWQYRBIEWUCNLC-NCYKPQTJSA-N 2 0 329.532 3.314 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCO[C@@H](C(C)C)C1 ZINC000583184604 459496207 /nfs/dbraw/zinc/49/62/07/459496207.db2.gz MQWRJJKUQUYGGC-VQIMIIECSA-N 2 0 328.460 3.117 10 0 EGAERP C[N@@H+]1CCC[C@@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409321 459730321 /nfs/dbraw/zinc/73/03/21/459730321.db2.gz BRSHGXKKXBRVBF-VQTJNVASSA-N 2 0 327.516 3.115 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]C2(c3ccccc3C)CCC2)CC[NH2+]CC1 ZINC000593320541 459840357 /nfs/dbraw/zinc/84/03/57/459840357.db2.gz SWKZMODSCOWLFV-KRWDZBQOSA-N 2 0 344.499 3.285 10 0 EGAERP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H]2CCC[C@H]21 ZINC000599654135 460299776 /nfs/dbraw/zinc/29/97/76/460299776.db2.gz LWEWAAZNJDPIIB-IPMKNSEASA-N 2 0 339.439 3.036 10 0 EGAERP C[C@@H](CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)CC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625976886 460322192 /nfs/dbraw/zinc/32/21/92/460322192.db2.gz RMIMQFVIKFBKDD-YJSVLBMJSA-N 2 0 340.552 3.206 10 0 EGAERP CC(CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C)CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625976887 460322745 /nfs/dbraw/zinc/32/27/45/460322745.db2.gz RMIMQFVIKFBKDD-YNXAUACVSA-N 2 0 340.552 3.206 10 0 EGAERP CCOC(=O)c1[nH]c(C)c(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1C ZINC000600108593 460384852 /nfs/dbraw/zinc/38/48/52/460384852.db2.gz CWUUIDODJOZLDJ-UHFFFAOYSA-N 2 0 347.503 3.116 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc(C)ccn1 ZINC000631604078 460470084 /nfs/dbraw/zinc/47/00/84/460470084.db2.gz YKKLVHJKDOSZDD-GOSISDBHSA-N 2 0 342.487 3.356 10 0 EGAERP CCOc1cc2c(cc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1)O[C@@H](C)C2 ZINC000623342478 460499154 /nfs/dbraw/zinc/49/91/54/460499154.db2.gz BPFWKMMZCZFMSJ-WMLDXEAASA-N 2 0 332.488 3.371 10 0 EGAERP CC[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347943 460502651 /nfs/dbraw/zinc/50/26/51/460502651.db2.gz MOYQGRSRMUQEQX-UXHICEINSA-N 2 0 329.532 3.286 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388606 460746795 /nfs/dbraw/zinc/74/67/95/460746795.db2.gz PVMVYDZOXYSXBD-OALUTQOASA-N 2 0 332.488 3.207 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCO2)cc1 ZINC000623865544 460751445 /nfs/dbraw/zinc/75/14/45/460751445.db2.gz UYSDOIUNEUDEJA-XLIONFOSSA-N 2 0 334.504 3.454 10 0 EGAERP Cc1nc(-c2cc([C@@H](C)[NH2+]CCOCCC[NH3+])cs2)cs1 ZINC000629542354 460801166 /nfs/dbraw/zinc/80/11/66/460801166.db2.gz YQOSKSODBQDMDD-LLVKDONJSA-N 2 0 325.503 3.196 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCCO1 ZINC000623979640 460807972 /nfs/dbraw/zinc/80/79/72/460807972.db2.gz HVWDVSMYDYGTLO-UZLBHIALSA-N 2 0 332.488 3.207 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000629653652 460848559 /nfs/dbraw/zinc/84/85/59/460848559.db2.gz LAWHPLPULOIYNQ-UHFFFAOYSA-N 2 0 348.437 3.265 10 0 EGAERP Cc1ccc([C@@H](C)C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000628164595 461027056 /nfs/dbraw/zinc/02/70/56/461027056.db2.gz VSJYKBPMCRYVEV-PZJWPPBQSA-N 2 0 329.532 3.200 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC3CC3)c2)[C@H](C)C1 ZINC000628182660 461036569 /nfs/dbraw/zinc/03/65/69/461036569.db2.gz CPROKZJPSDQRKG-QAPCUYQASA-N 2 0 332.488 3.399 10 0 EGAERP c1csc(C[NH+](Cc2cccs2)C[C@@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249004 461141910 /nfs/dbraw/zinc/14/19/10/461141910.db2.gz NDFXXSOZBDTZBV-AWEZNQCLSA-N 2 0 334.510 3.333 10 0 EGAERP Fc1cccc(F)c1C[N@H+](C[C@@H]1CCC2(C[NH2+]C2)O1)C1CCCC1 ZINC000662258956 461147616 /nfs/dbraw/zinc/14/76/16/461147616.db2.gz ZFZUEPYHOLFUJE-HNNXBMFYSA-N 2 0 336.426 3.230 10 0 EGAERP Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652362732 461154603 /nfs/dbraw/zinc/15/46/03/461154603.db2.gz NQYOURAHMUFFLA-AQNXPRMDSA-N 2 0 346.515 3.433 10 0 EGAERP [NH3+]C[C@@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC12CCOCC2 ZINC000662272397 461158852 /nfs/dbraw/zinc/15/88/52/461158852.db2.gz FTYPGZXVPIQPIW-MISYRCLQSA-N 2 0 328.500 3.258 10 0 EGAERP C[C@@H]1CC2(C[N@@H+]1Cc1cccc(F)c1OC(F)F)CC[NH2+]CC2 ZINC000662283863 461165789 /nfs/dbraw/zinc/16/57/89/461165789.db2.gz QTQKAYVSVXSLQZ-GFCCVEGCSA-N 2 0 328.378 3.391 10 0 EGAERP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294231 461173433 /nfs/dbraw/zinc/17/34/33/461173433.db2.gz PZWFXYDMTCNQGF-GOEBONIOSA-N 2 0 337.533 3.452 10 0 EGAERP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662297203 461175324 /nfs/dbraw/zinc/17/53/24/461175324.db2.gz OIIYZOJTHMKDKQ-IEBWSBKVSA-N 2 0 343.515 3.140 10 0 EGAERP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298706 461177792 /nfs/dbraw/zinc/17/77/92/461177792.db2.gz XFXBWYZUXOFCFA-IEBWSBKVSA-N 2 0 343.515 3.342 10 0 EGAERP C[NH+](C)CC[C@H](NC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C(C)(C)C ZINC000659292428 461279072 /nfs/dbraw/zinc/27/90/72/461279072.db2.gz PKDCYIYOUXTVGB-HKUYNNGSSA-N 2 0 345.531 3.161 10 0 EGAERP C[NH+](C)CCN(C(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C1CCCC1 ZINC000659316132 461289526 /nfs/dbraw/zinc/28/95/26/461289526.db2.gz AQWDTIPNMFRDJW-GOSISDBHSA-N 2 0 343.515 3.012 10 0 EGAERP C[NH+](C)CCN(C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C1CCCC1 ZINC000659316133 461289609 /nfs/dbraw/zinc/28/96/09/461289609.db2.gz AQWDTIPNMFRDJW-SFHVURJKSA-N 2 0 343.515 3.012 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@H]3C[C@@H]3c3ccccc3)cc2)C1 ZINC000668489101 461302729 /nfs/dbraw/zinc/30/27/29/461302729.db2.gz BRZUUEIUTPJNOE-YPAWHYETSA-N 2 0 336.479 3.147 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@H]([C@H]2CCCCO2)C1 ZINC000668630249 461364507 /nfs/dbraw/zinc/36/45/07/461364507.db2.gz HWBKHSUXRCFEKO-FXAWDEMLSA-N 2 0 340.471 3.357 10 0 EGAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)cc1 ZINC000646694125 461373077 /nfs/dbraw/zinc/37/30/77/461373077.db2.gz ZHTKOXZVHDIFMY-RBUKOAKNSA-N 2 0 331.504 3.191 10 0 EGAERP C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000655710674 461380957 /nfs/dbraw/zinc/38/09/57/461380957.db2.gz CDPDQKWQINUYLS-MAUKXSAKSA-N 2 0 334.529 3.017 10 0 EGAERP CC(C)[C@@H](O)[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000668690116 461384690 /nfs/dbraw/zinc/38/46/90/461384690.db2.gz STOIZNXXYQUYDQ-WOJBJXKFSA-N 2 0 336.439 3.115 10 0 EGAERP CC(C)(C)C(=O)N1CCC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)C1 ZINC000659842957 461449888 /nfs/dbraw/zinc/44/98/88/461449888.db2.gz JDBXNHAUDPYWJI-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)C1 ZINC000655802719 461463663 /nfs/dbraw/zinc/46/36/63/461463663.db2.gz IFRSLFXVFAACQV-AQNXPRMDSA-N 2 0 327.516 3.113 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000655802520 461464473 /nfs/dbraw/zinc/46/44/73/461464473.db2.gz FEDQZGWKSCBIER-MLBCHFTJSA-N 3 0 341.543 3.359 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000659873034 461473821 /nfs/dbraw/zinc/47/38/21/461473821.db2.gz JONNFONGZCMAFH-UHFFFAOYSA-N 2 0 348.556 3.089 10 0 EGAERP COc1cncc(C[NH2+]Cc2ccc(OCCC[NH+](C)C)cc2)c1C ZINC000631062442 461515210 /nfs/dbraw/zinc/51/52/10/461515210.db2.gz MYHOGJJRXVHSAW-UHFFFAOYSA-N 2 0 343.471 3.019 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000655939481 461547201 /nfs/dbraw/zinc/54/72/01/461547201.db2.gz IASSVMUTRNRJIP-KHYOSLBOSA-N 2 0 338.442 3.116 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C12CCC2 ZINC000647344662 461648240 /nfs/dbraw/zinc/64/82/40/461648240.db2.gz WKKGPYJLRJFOCD-IYWMVGAKSA-N 2 0 328.500 3.269 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000663503939 461675885 /nfs/dbraw/zinc/67/58/85/461675885.db2.gz VGQFRZHOCYOJGT-UKRRQHHQSA-N 2 0 325.884 3.329 10 0 EGAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Cl ZINC000663503114 461676542 /nfs/dbraw/zinc/67/65/42/461676542.db2.gz OBJGXFZWJPQCBM-XJKSGUPXSA-N 2 0 325.884 3.329 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C1CCC1)[C@@H]1CCCO1 ZINC000631256775 461678427 /nfs/dbraw/zinc/67/84/27/461678427.db2.gz XEVVPJFIAJZTTF-OALUTQOASA-N 2 0 326.444 3.013 10 0 EGAERP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479366 461723942 /nfs/dbraw/zinc/72/39/42/461723942.db2.gz DMJFOLVUZJNDBC-NQIIRXRSSA-N 2 0 338.499 3.360 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479404 461725271 /nfs/dbraw/zinc/72/52/71/461725271.db2.gz GDFDJAARDWJIMN-KVSKMBFKSA-N 2 0 334.479 3.477 10 0 EGAERP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000643466207 461736994 /nfs/dbraw/zinc/73/69/94/461736994.db2.gz CWLGKAOEOJAGDI-NHHFINERSA-N 2 0 332.492 3.305 10 0 EGAERP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647544395 461759468 /nfs/dbraw/zinc/75/94/68/461759468.db2.gz ZRMACMWKOJIQIZ-SJORKVTESA-N 2 0 326.488 3.268 10 0 EGAERP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(C)c1 ZINC000647793376 461838352 /nfs/dbraw/zinc/83/83/52/461838352.db2.gz VYSGHYIVBVCILY-XCJLJZCSSA-N 2 0 338.499 3.219 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647801261 461843325 /nfs/dbraw/zinc/84/33/25/461843325.db2.gz SZTYOCHKHBZSCK-CGTJXYLNSA-N 2 0 342.508 3.478 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000656785558 461895829 /nfs/dbraw/zinc/89/58/29/461895829.db2.gz MDUHGHJVWBKRJF-FQEVSTJZSA-N 2 0 346.515 3.314 10 0 EGAERP Cc1ccc(OCc2nc(C[NH2+]CCC3(C[NH3+])CC3)cs2)cc1 ZINC000650713243 461906230 /nfs/dbraw/zinc/90/62/30/461906230.db2.gz LUIVKPYCTAHIRL-UHFFFAOYSA-N 2 0 331.485 3.249 10 0 EGAERP Cc1ccccc1-n1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cn1 ZINC000648001911 461932156 /nfs/dbraw/zinc/93/21/56/461932156.db2.gz RCDHUQMKDVAIEH-UHFFFAOYSA-N 2 0 338.499 3.489 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650761829 461940823 /nfs/dbraw/zinc/94/08/23/461940823.db2.gz LMUPQCPNPUFTFD-GOSISDBHSA-N 3 0 329.532 3.061 10 0 EGAERP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347976 462062180 /nfs/dbraw/zinc/06/21/80/462062180.db2.gz INOALSOEDIDRFV-HKUYNNGSSA-N 2 0 347.466 3.192 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(O[C@H](C)COC)cc2)CC1 ZINC000657348521 462063758 /nfs/dbraw/zinc/06/37/58/462063758.db2.gz YQLHROQYHVMUMT-QGZVFWFLSA-N 2 0 334.504 3.312 10 0 EGAERP c1nn2c(c1C[NH2+]Cc1ccccc1C[NH+]1CCCCCC1)CCC2 ZINC000657358938 462070136 /nfs/dbraw/zinc/07/01/36/462070136.db2.gz IFXONRKMLQTACR-UHFFFAOYSA-N 2 0 338.499 3.495 10 0 EGAERP c1cc(C[NH2+]C[C@H]2CCCN2Cc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657362103 462071570 /nfs/dbraw/zinc/07/15/70/462071570.db2.gz OUHQCDYVEDWUNO-HXUWFJFHSA-N 2 0 347.466 3.022 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657376836 462082916 /nfs/dbraw/zinc/08/29/16/462082916.db2.gz OSQVVWYISIHOQH-UHFFFAOYSA-N 2 0 344.272 3.195 10 0 EGAERP Cc1ccc2cc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)[nH]c2c1 ZINC000667500932 462115276 /nfs/dbraw/zinc/11/52/76/462115276.db2.gz GHCHTHARAFTQNV-UHFFFAOYSA-N 2 0 327.472 3.021 10 0 EGAERP c1cc(C[NH2+][C@H]2CCO[C@@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657438159 462124393 /nfs/dbraw/zinc/12/43/93/462124393.db2.gz ZSUDJFHBHNFOJG-FXAWDEMLSA-N 2 0 334.423 3.277 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@@H]1CCCN(Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000667534423 462132489 /nfs/dbraw/zinc/13/24/89/462132489.db2.gz XQGCMAVHRQXKFG-ZIFCJYIRSA-N 2 0 339.487 3.105 10 0 EGAERP c1cc(CNC[C@H]2CCC[N@@H+]2C2CCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657455662 462135008 /nfs/dbraw/zinc/13/50/08/462135008.db2.gz WIFJQPYUCJTELL-LJQANCHMSA-N 2 0 339.487 3.154 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(Cl)ccc3F)cc2)C1 ZINC000657595302 462198113 /nfs/dbraw/zinc/19/81/13/462198113.db2.gz GPPLRXAAAIMVEX-GOSISDBHSA-N 2 0 348.849 3.336 10 0 EGAERP FC1(F)C[C@H]1OCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657618561 462205272 /nfs/dbraw/zinc/20/52/72/462205272.db2.gz HELBTLHGNOTQKK-DLBZAZTESA-N 2 0 336.426 3.197 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771552 462259678 /nfs/dbraw/zinc/25/96/78/462259678.db2.gz CVZPVLRGIPITQM-YZGWKJHDSA-N 2 0 328.500 3.446 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000657838195 462291394 /nfs/dbraw/zinc/29/13/94/462291394.db2.gz OREQITUBQAYZJY-IEBWSBKVSA-N 2 0 326.525 3.062 10 0 EGAERP CC[C@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752579 462325337 /nfs/dbraw/zinc/32/53/37/462325337.db2.gz LQFBKLGQUVXRLS-AZUAARDMSA-N 2 0 331.504 3.036 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C(C)(C)C(F)F ZINC000657970192 462333623 /nfs/dbraw/zinc/33/36/23/462333623.db2.gz YZRMRCLBLFBSBL-YOEHRIQHSA-N 2 0 340.458 3.413 10 0 EGAERP Cc1nc(C)c([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000658066991 462365274 /nfs/dbraw/zinc/36/52/74/462365274.db2.gz JCTXEUDVKIESAS-ZDUSSCGKSA-N 2 0 337.533 3.302 10 0 EGAERP CC(=O)Nc1ccc([C@@H](C)N[C@@H]2C[NH2+]CC[C@@H]2c2ccccc2)cc1 ZINC000665251239 462369139 /nfs/dbraw/zinc/36/91/39/462369139.db2.gz KSQAVNWVVAUPPE-IPHXSNPTSA-N 2 0 337.467 3.441 10 0 EGAERP COc1cccc2cc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)oc21 ZINC000658107761 462387303 /nfs/dbraw/zinc/38/73/03/462387303.db2.gz OLKVMZICRGSPTJ-HOTGVXAUSA-N 2 0 347.503 3.364 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2csc(Cl)c2)CC1 ZINC000665289847 462387619 /nfs/dbraw/zinc/38/76/19/462387619.db2.gz YVCIBSZJALNROI-GFCCVEGCSA-N 2 0 343.924 3.043 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4ccccc43)cc2)C1 ZINC000658147281 462407214 /nfs/dbraw/zinc/40/72/14/462407214.db2.gz YGALSKXDZURMDP-IFMALSPDSA-N 2 0 336.479 3.420 10 0 EGAERP Cc1ccc(C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC2CC2)cn1 ZINC000646020182 462498145 /nfs/dbraw/zinc/49/81/45/462498145.db2.gz MXQKYAQXHVTWLX-UHFFFAOYSA-N 2 0 344.547 3.018 10 0 EGAERP C[C@@H](CCSc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153093 462532418 /nfs/dbraw/zinc/53/24/18/462532418.db2.gz NQJMTLATIRMVQL-FUHWJXTLSA-N 2 0 334.529 3.088 10 0 EGAERP Cc1ncc(C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)s1 ZINC000105448579 546695448 /nfs/dbraw/zinc/69/54/48/546695448.db2.gz MTKZHZNOGZDZPQ-UHFFFAOYSA-N 2 0 331.485 3.216 10 0 EGAERP COCC[C@H](C)[NH+]1CCCC2(CCC[N@@H+]([C@@H](C)CCOC)C2)C1 ZINC000351994853 547678891 /nfs/dbraw/zinc/67/88/91/547678891.db2.gz LPFKNHILVCMTLP-ADUPEVMXSA-N 2 0 326.525 3.014 10 0 EGAERP CC[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@@H]1C)[NH+](CC)CC ZINC000673751695 548614881 /nfs/dbraw/zinc/61/48/81/548614881.db2.gz WNTZOOVQNSPSGW-AZUAARDMSA-N 2 0 345.531 3.230 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccncc1 ZINC000674069180 548683994 /nfs/dbraw/zinc/68/39/94/548683994.db2.gz CNNLEYZAPHCYHG-SFHVURJKSA-N 2 0 339.483 3.450 10 0 EGAERP Cc1csc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000675744340 548972851 /nfs/dbraw/zinc/97/28/51/548972851.db2.gz QHHSDFKKTRCMFD-CRAIPNDOSA-N 2 0 329.513 3.494 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000675749361 548973736 /nfs/dbraw/zinc/97/37/36/548973736.db2.gz UCCKVCHOZDHFLX-IIZPIQPGSA-N 2 0 343.559 3.465 10 0 EGAERP C[C@@H](C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccncc1 ZINC000675928717 549006550 /nfs/dbraw/zinc/00/65/50/549006550.db2.gz VWPSFCDJZQUKAD-DLBZAZTESA-N 2 0 327.472 3.476 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(c2ccccn2)CC1 ZINC000680329161 549849699 /nfs/dbraw/zinc/84/96/99/549849699.db2.gz MEXIWMSJQPAVSX-UHFFFAOYSA-N 2 0 333.439 3.350 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](Cc2ccncc2)C1 ZINC000680335507 549850932 /nfs/dbraw/zinc/85/09/32/549850932.db2.gz UJCPJBXUCJXOSF-SFHVURJKSA-N 2 0 333.439 3.035 10 0 EGAERP CCC[NH+]1CCC(Nc2ccccc2N2CC[NH+](CC)CC2)CC1 ZINC000680875615 549921835 /nfs/dbraw/zinc/92/18/35/549921835.db2.gz HGGWGBNARKYRQQ-UHFFFAOYSA-N 2 0 330.520 3.115 10 0 EGAERP c1cc2cc(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccc2cn1 ZINC000683833357 550266819 /nfs/dbraw/zinc/26/68/19/550266819.db2.gz YVFQCJNRBPPLRF-UHFFFAOYSA-N 2 0 339.483 3.312 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684732 576168835 /nfs/dbraw/zinc/16/88/35/576168835.db2.gz BDIQXGAGYDLFNY-ICSRJNTNSA-N 2 0 331.479 3.035 10 0 EGAERP Cc1cc(Cl)ccc1C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1 ZINC000129268858 1293619124 /nfs/dbraw/zinc/61/91/24/1293619124.db2.gz GSGIFBMTSCOHDZ-UHFFFAOYSA-N 2 0 335.923 3.297 10 0 EGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CCCC(C)(C)C2)CC1 ZINC000136299038 1293813545 /nfs/dbraw/zinc/81/35/45/1293813545.db2.gz CHNGMQIUMDLRSR-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[C@@](C)(CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019322 1295599013 /nfs/dbraw/zinc/59/90/13/1295599013.db2.gz DWYSXOMWWGYVIV-QWFCFKBJSA-N 2 0 339.568 3.181 10 0 EGAERP C[C@H](C[C@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2ccnc2)c1 ZINC000870783576 1296076679 /nfs/dbraw/zinc/07/66/79/1296076679.db2.gz AUDXTGUPQNVIIH-VQIMIIECSA-N 2 0 341.455 3.351 10 0 EGAERP CO[C@@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)C(C)(C)C ZINC000237095468 1296219973 /nfs/dbraw/zinc/21/99/73/1296219973.db2.gz GRPBADICXWJSNB-IBGZPJMESA-N 2 0 334.504 3.312 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CC[NH+](C)C(C)(C)CC2)cc1)C(C)C ZINC000871153045 1296241666 /nfs/dbraw/zinc/24/16/66/1296241666.db2.gz DHBAVDJGHBYZIK-UHFFFAOYSA-N 2 0 345.531 3.473 10 0 EGAERP CC[C@@H]1c2ccsc2CCN1C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872154830 1296772381 /nfs/dbraw/zinc/77/23/81/1296772381.db2.gz BUTMTHDWVPDDAZ-MRXNPFEDSA-N 2 0 337.533 3.035 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCCCCC[NH3+] ZINC000872154866 1296772927 /nfs/dbraw/zinc/77/29/27/1296772927.db2.gz CRSZXFUDVHGJCW-HOTGVXAUSA-N 2 0 337.533 3.251 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[NH2+]CCC2(C)C)cc1 ZINC000872297688 1296903378 /nfs/dbraw/zinc/90/33/78/1296903378.db2.gz VOUMYXYXOGUCPE-UHFFFAOYSA-N 2 0 331.504 3.133 10 0 EGAERP c1ccc(C[NH+]2CCC(N(C[C@@H]3CCC[NH2+]C3)C3CC3)CC2)cc1 ZINC000305867976 1297063965 /nfs/dbraw/zinc/06/39/65/1297063965.db2.gz ARVIUIHSLFXLOP-LJQANCHMSA-N 2 0 327.516 3.115 10 0 EGAERP Brc1cscc1C[NH+]1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000310707948 1297100110 /nfs/dbraw/zinc/10/01/10/1297100110.db2.gz DZQHLDPMGSGTQN-CQSZACIVSA-N 2 0 329.307 3.475 10 0 EGAERP Brc1cnc(C[NH2+][C@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232204 1297372747 /nfs/dbraw/zinc/37/27/47/1297372747.db2.gz BSPQQYXPSNPHNB-NSHDSACASA-N 2 0 344.322 3.308 10 0 EGAERP C[C@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659134 1297572173 /nfs/dbraw/zinc/57/21/73/1297572173.db2.gz IWXXWKQPKJYGLB-HZPDHXFCSA-N 2 0 339.524 3.273 10 0 EGAERP c1ccc(C[NH+]2CCC3(CCN([C@H]4CCCC[NH2+]C4)C3)CC2)cc1 ZINC000383522440 1297572494 /nfs/dbraw/zinc/57/24/94/1297572494.db2.gz OAYIVRNLGUGRKT-FQEVSTJZSA-N 2 0 327.516 3.117 10 0 EGAERP Cc1c(C[NH+]2CCC(Cc3ccc(C[NH+](C)C)cc3)CC2)cnn1C ZINC000581810035 1298018299 /nfs/dbraw/zinc/01/82/99/1298018299.db2.gz DXMRTUZOKZOWJP-UHFFFAOYSA-N 2 0 340.515 3.245 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716158654 1298294306 /nfs/dbraw/zinc/29/43/06/1298294306.db2.gz VQAAOJARINGQHG-KRWDZBQOSA-N 2 0 339.524 3.094 10 0 EGAERP [NH3+]C[C@@H]1Cc2ccccc2CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000721636594 1298332243 /nfs/dbraw/zinc/33/22/43/1298332243.db2.gz BFIKTNBMHZISNI-QFIPXVFZSA-N 2 0 335.495 3.037 10 0 EGAERP C[C@@H]1C[C@@H](N2Cc3ccccc3C[C@@H]2C[NH3+])C[N@@H+]1Cc1ccccc1 ZINC000721641943 1298332975 /nfs/dbraw/zinc/33/29/75/1298332975.db2.gz PDIKGUOEDJVTHO-ZPMCFJSWSA-N 2 0 335.495 3.035 10 0 EGAERP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886521249 1303486201 /nfs/dbraw/zinc/48/62/01/1303486201.db2.gz XJTYVHBOUQAKGR-AVADMBNRSA-N 2 0 348.490 3.287 10 0 EGAERP Oc1cccc2sc(C[NH+]3CCC(C[NH+]4CCOCC4)CC3)cc21 ZINC000893940958 1306138066 /nfs/dbraw/zinc/13/80/66/1306138066.db2.gz UEQJOKROSCXSDP-UHFFFAOYSA-N 2 0 346.496 3.151 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000894241201 1306298534 /nfs/dbraw/zinc/29/85/34/1306298534.db2.gz IKEPUDNENGNBOL-UHFFFAOYSA-N 2 0 338.499 3.494 10 0 EGAERP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894454773 1308896800 /nfs/dbraw/zinc/89/68/00/1308896800.db2.gz XRTPBFSOEHCIGJ-CJGGRQNCSA-N 2 0 344.499 3.217 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cc(-n3ccnc3)cs2)CCN1c1cc[nH+]cc1 ZINC000895555738 1309398657 /nfs/dbraw/zinc/39/86/57/1309398657.db2.gz BXGQGAVMIOSRJN-OAHLLOKOSA-N 2 0 339.468 3.040 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1c1ccccc1 ZINC000895815102 1309533506 /nfs/dbraw/zinc/53/35/06/1309533506.db2.gz ZPPIUBSWMLNRMD-MISYRCLQSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1cn(C(C)(C)C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cn1 ZINC000896148827 1309720347 /nfs/dbraw/zinc/72/03/47/1309720347.db2.gz HLLIABXTKONZAM-GOSISDBHSA-N 2 0 346.519 3.041 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@@H](CN2CCC[C@@H]([NH+]3CCCC3)CC2)O1 ZINC000929685460 1328668681 /nfs/dbraw/zinc/66/86/81/1328668681.db2.gz BGIZEVIMBOLZSP-PMPSAXMXSA-N 2 0 334.426 3.437 10 0 EGAERP CC(C)(C)OC(=O)N1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)C12CCC2 ZINC000858227932 1328717255 /nfs/dbraw/zinc/71/72/55/1328717255.db2.gz SFJMSDRLCZYHJF-ZACQAIPSSA-N 2 0 349.519 3.135 10 0 EGAERP Cc1cn(C)nc1C[NH+]1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000930132783 1328793715 /nfs/dbraw/zinc/79/37/15/1328793715.db2.gz AYOCARWTQXBNIZ-UHFFFAOYSA-N 2 0 338.499 3.217 10 0 EGAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cccc3[nH]c(=O)oc32)C1 ZINC000921544992 1322347632 /nfs/dbraw/zinc/34/76/32/1322347632.db2.gz WFYVOJZNLHXPEU-GJZGRUSLSA-N 2 0 331.460 3.381 10 0 EGAERP COc1cc2c(cc1C[NH2+]C1CCC(C)([NH+]3CCCC3)CC1)OCO2 ZINC000922503252 1322543694 /nfs/dbraw/zinc/54/36/94/1322543694.db2.gz IRVTUKWEUFFNDO-UHFFFAOYSA-N 2 0 346.471 3.311 10 0 EGAERP CC[C@@H]1C[C@@H]([NH2+]CC2(N(C)Cc3ccccc3)CCOCC2)CCO1 ZINC000922743237 1322607964 /nfs/dbraw/zinc/60/79/64/1322607964.db2.gz OZDCRVRZNKWJGS-VQTJNVASSA-N 2 0 346.515 3.215 10 0 EGAERP C(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923323144 1322733968 /nfs/dbraw/zinc/73/39/68/1322733968.db2.gz CZIRWCNSLPMZIV-ASJDWODUSA-N 3 0 333.564 3.495 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000923495934 1322761503 /nfs/dbraw/zinc/76/15/03/1322761503.db2.gz GFYSKOAKIOFEAA-APWZRJJASA-N 2 0 337.467 3.356 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674142 1323105771 /nfs/dbraw/zinc/10/57/71/1323105771.db2.gz YCWTUCKKNIZHMJ-STQMWFEESA-N 2 0 349.466 3.444 10 0 EGAERP CCn1nc(C)c([C@@H](C)[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)n1 ZINC000924779463 1323158971 /nfs/dbraw/zinc/15/89/71/1323158971.db2.gz CPBFHMQBHHVTSO-MRXNPFEDSA-N 2 0 341.503 3.169 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@H]1C[C@@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000924855784 1323188944 /nfs/dbraw/zinc/18/89/44/1323188944.db2.gz RXWRHELYMSXHSN-JKSUJKDBSA-N 2 0 341.540 3.390 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1csc(C(F)(F)F)c1 ZINC000924992027 1323237204 /nfs/dbraw/zinc/23/72/04/1323237204.db2.gz KWJGSLIQTDVLAV-NEPJUHHUSA-N 2 0 335.439 3.053 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1cccc2c1OCO2 ZINC000925070247 1323265090 /nfs/dbraw/zinc/26/50/90/1323265090.db2.gz DUVQIVUKFYLPKX-ZDUSSCGKSA-N 2 0 330.403 3.467 10 0 EGAERP C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CCCCCC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000859828528 1329089565 /nfs/dbraw/zinc/08/95/65/1329089565.db2.gz ANSHAQDXNZGSTR-MRRNPJEZSA-N 2 0 340.552 3.350 10 0 EGAERP COC/C(C)=C\C[NH+](C)[C@H]1CC[C@H]([N@@H+](C)C/C=C(/C)COC)CC1 ZINC000931737343 1329175082 /nfs/dbraw/zinc/17/50/82/1329175082.db2.gz IPPHSEGUVGEAQT-GJBALEKCSA-N 2 0 338.536 3.347 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439574 1325150624 /nfs/dbraw/zinc/15/06/24/1325150624.db2.gz MTXMWYBEERQBHU-KURKYZTESA-N 2 0 348.535 3.223 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]2Cc2ccccn2)C[C@H](C)O1 ZINC000925441283 1325151359 /nfs/dbraw/zinc/15/13/59/1325151359.db2.gz YZZKSLOIQDNUST-YOUFYPILSA-N 2 0 345.531 3.272 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)C[C@@H]([NH3+])C1 ZINC000925484380 1325171371 /nfs/dbraw/zinc/17/13/71/1325171371.db2.gz DNNJVWJYUFUPRO-TYNCELHUSA-N 2 0 330.394 3.234 10 0 EGAERP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccc(F)c1 ZINC000925495761 1325176232 /nfs/dbraw/zinc/17/62/32/1325176232.db2.gz WOCPJRGOAABFIX-SLFFLAALSA-N 2 0 333.495 3.186 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1c(F)cccc1F ZINC000925497288 1325178059 /nfs/dbraw/zinc/17/80/59/1325178059.db2.gz GPURPXKVOVERNV-XJKCOSOUSA-N 2 0 325.447 3.063 10 0 EGAERP CN(C)c1ccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925518208 1325187287 /nfs/dbraw/zinc/18/72/87/1325187287.db2.gz QEHFGABXSUFSOB-AEFFLSMTSA-N 2 0 344.547 3.217 10 0 EGAERP c1csc(C[N@H+]2CCC[C@H](CN[C@@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925533606 1325194619 /nfs/dbraw/zinc/19/46/19/1325194619.db2.gz CMCFEIJHFRHTHW-SJLPKXTDSA-N 2 0 333.545 3.224 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(OC[C@H]2CCOC2)c1 ZINC000925539878 1325199152 /nfs/dbraw/zinc/19/91/52/1325199152.db2.gz LZPUKSNGOCTPTJ-QXAKKESOSA-N 2 0 346.515 3.406 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)[NH+]2CCCC2)o1 ZINC000925559259 1325208603 /nfs/dbraw/zinc/20/86/03/1325208603.db2.gz SKUMAKYRSJSBRP-KCITZHQASA-N 2 0 331.504 3.091 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C[C@@H]([NH3+])C1 ZINC000925597847 1325227924 /nfs/dbraw/zinc/22/79/24/1325227924.db2.gz OJQYPMPXSIBDEH-CABCVRRESA-N 2 0 348.878 3.428 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925666057 1325255154 /nfs/dbraw/zinc/25/51/54/1325255154.db2.gz PLPZLJCUSRGFBJ-NHCUHLMSSA-N 2 0 346.515 3.360 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]C2(Cc3ccccc3Br)CC2)C12CCC2 ZINC000925671481 1325256652 /nfs/dbraw/zinc/25/66/52/1325256652.db2.gz CMPBHCUWOLYROU-GJZGRUSLSA-N 2 0 335.289 3.384 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccccc3F)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925674898 1325258627 /nfs/dbraw/zinc/25/86/27/1325258627.db2.gz FAGKBTZGOJPKJD-QGWWYQLQSA-N 2 0 331.479 3.018 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925759640 1325289599 /nfs/dbraw/zinc/28/95/99/1325289599.db2.gz QDRNEKHGAKDKIS-CYBMUJFWSA-N 2 0 341.249 3.039 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925785725 1325301684 /nfs/dbraw/zinc/30/16/84/1325301684.db2.gz VGRUKJLCZFNEII-MKXGPGLRSA-N 2 0 349.469 3.016 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]CCC2(c3ccccc3)CC2)CC[NH2+]CC1 ZINC000925804270 1325307760 /nfs/dbraw/zinc/30/77/60/1325307760.db2.gz FWEZTTMFMZAUMP-QGZVFWFLSA-N 2 0 344.499 3.019 10 0 EGAERP c1cc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804978 1325308922 /nfs/dbraw/zinc/30/89/22/1325308922.db2.gz OQLMGGLWARZZBP-SFTDATJTSA-N 2 0 338.499 3.173 10 0 EGAERP C[C@@H](Cc1coc2ccccc12)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842287 1325324276 /nfs/dbraw/zinc/32/42/76/1325324276.db2.gz LEXXNWLHIWMAEZ-KRWDZBQOSA-N 2 0 329.488 3.029 10 0 EGAERP CCOC(=O)[C@H]1CC[C@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842047 1325324338 /nfs/dbraw/zinc/32/43/38/1325324338.db2.gz XBDOGQYRKAILHM-CTAFRAEOSA-N 2 0 342.483 3.290 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cnc2ccsc2c1 ZINC000925843659 1325325676 /nfs/dbraw/zinc/32/56/76/1325325676.db2.gz GCJDIHBJHXHFJR-HNNXBMFYSA-N 2 0 332.517 3.022 10 0 EGAERP Cc1ccc([C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCC2)cc1 ZINC000925850777 1325329378 /nfs/dbraw/zinc/32/93/78/1325329378.db2.gz QCSCXMCXCONKLR-MOPGFXCFSA-N 2 0 342.483 3.111 10 0 EGAERP CC(C)Cc1ccc([C@H](C)[NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855767 1325331281 /nfs/dbraw/zinc/33/12/81/1325331281.db2.gz QBNJIUAPOMSSQP-QFBILLFUSA-N 2 0 344.499 3.221 10 0 EGAERP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1 ZINC000925879945 1325340653 /nfs/dbraw/zinc/34/06/53/1325340653.db2.gz MTHBKKDJPIEEQA-IMFGXOCKSA-N 2 0 325.456 3.091 10 0 EGAERP COC(=O)c1csc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925883136 1325342353 /nfs/dbraw/zinc/34/23/53/1325342353.db2.gz WGNNQOAIVQVFQL-IYJAJMOOSA-N 2 0 344.480 3.244 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000925883078 1325342541 /nfs/dbraw/zinc/34/25/41/1325342541.db2.gz UECYNNFNONGBLO-JRSUCEMESA-N 3 0 327.516 3.004 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)C1 ZINC000925886953 1325342823 /nfs/dbraw/zinc/34/28/23/1325342823.db2.gz OBUYQNCGGRTVCS-DZVNLGKHSA-N 2 0 334.554 3.015 10 0 EGAERP Cc1c([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cnn1C(C)C ZINC000925887233 1325344391 /nfs/dbraw/zinc/34/43/91/1325344391.db2.gz VWOBHGIOPLHYKL-ZAAXVRCTSA-N 2 0 326.488 3.482 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926123269 1325437707 /nfs/dbraw/zinc/43/77/07/1325437707.db2.gz BNUBUBUXIXPQMC-SEBOWIOWSA-N 2 0 346.540 3.160 10 0 EGAERP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO ZINC000926123220 1325437829 /nfs/dbraw/zinc/43/78/29/1325437829.db2.gz BFAVBFMFPJAVOL-QHAWAJNXSA-N 2 0 348.531 3.063 10 0 EGAERP C[C@@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1csc(C(F)(F)F)c1 ZINC000926356538 1325525337 /nfs/dbraw/zinc/52/53/37/1325525337.db2.gz IYCQDEBINJYBCA-GFCCVEGCSA-N 2 0 349.466 3.444 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000926402090 1325540771 /nfs/dbraw/zinc/54/07/71/1325540771.db2.gz RZBPJIYWSKGWFE-VQTJNVASSA-N 2 0 332.488 3.208 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(O)cc(F)c1 ZINC000926677023 1327661646 /nfs/dbraw/zinc/66/16/46/1327661646.db2.gz NJTCRGAKUDOLSW-CQSZACIVSA-N 2 0 336.451 3.073 10 0 EGAERP CC(=O)N[C@@H](c1ccccc1F)[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926794710 1327720570 /nfs/dbraw/zinc/72/05/70/1327720570.db2.gz BFCZWBQOKMFJCW-HRUBPZQXSA-N 2 0 349.494 3.244 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cnnn1-c1ccccc1 ZINC000926798741 1327721781 /nfs/dbraw/zinc/72/17/81/1327721781.db2.gz WHBQSONPZVCTCI-LYGPFTKASA-N 2 0 327.476 3.181 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000926949245 1327791393 /nfs/dbraw/zinc/79/13/93/1327791393.db2.gz MFYRHITWMGZWPP-DUVNUKRYSA-N 2 0 330.394 3.476 10 0 EGAERP CCc1onc(C)c1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000927140636 1327887361 /nfs/dbraw/zinc/88/73/61/1327887361.db2.gz RQXOIEUUVKQUQT-CQSZACIVSA-N 2 0 331.460 3.337 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2nccc(C)c2Br)CC1 ZINC000865475992 1329702729 /nfs/dbraw/zinc/70/27/29/1329702729.db2.gz IIXCNZWCIMAUMA-UHFFFAOYSA-N 2 0 340.309 3.364 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000866230932 1330081408 /nfs/dbraw/zinc/08/14/08/1330081408.db2.gz IRGHSDLSILDAJI-JXFKEZNVSA-N 2 0 333.495 3.066 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866233851 1330081858 /nfs/dbraw/zinc/08/18/58/1330081858.db2.gz ZBQZTXDJUFBTRJ-UWJYYQICSA-N 2 0 337.511 3.443 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)cc[nH+]1 ZINC000866289740 1330091213 /nfs/dbraw/zinc/09/12/13/1330091213.db2.gz JGVJXWLUNWWEJT-WOJBJXKFSA-N 2 0 329.488 3.235 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](NCc2noc3cc(F)ccc23)[C@H](C)C1 ZINC000866611775 1330132887 /nfs/dbraw/zinc/13/28/87/1330132887.db2.gz WUIDMKGTAVZXLD-PBHICJAKSA-N 2 0 349.450 3.194 10 0 EGAERP COc1ccc([C@@H](C[NH3+])CN2c3ccccc3[C@H]([NH3+])C2(C)C)cc1 ZINC000866701652 1330142426 /nfs/dbraw/zinc/14/24/26/1330142426.db2.gz LUTSDOUODFAOCS-KXBFYZLASA-N 2 0 325.456 3.036 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1CC ZINC001323147994 1387303015 /nfs/dbraw/zinc/30/30/15/1387303015.db2.gz IPASJDNATORLOE-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CCCC1CCCC1 ZINC001323162590 1387304699 /nfs/dbraw/zinc/30/46/99/1387304699.db2.gz RFNFUFJRLCMHPU-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001323518418 1387380018 /nfs/dbraw/zinc/38/00/18/1387380018.db2.gz IVCVTVHSWCHNRI-HKUYNNGSSA-N 2 0 343.515 3.087 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CC1 ZINC001323566232 1387390697 /nfs/dbraw/zinc/39/06/97/1387390697.db2.gz GGZNAHGGGOSZCS-SFHVURJKSA-N 2 0 335.536 3.068 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323645157 1387416489 /nfs/dbraw/zinc/41/64/89/1387416489.db2.gz XWJWZOPVXVMQNU-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001324099388 1387541679 /nfs/dbraw/zinc/54/16/79/1387541679.db2.gz VUYWTFBBDCLVCM-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001324175801 1387550717 /nfs/dbraw/zinc/55/07/17/1387550717.db2.gz OSWSNWUAWBALJP-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001324214513 1387560676 /nfs/dbraw/zinc/56/06/76/1387560676.db2.gz ZICSAWJDJGIMRD-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001324237120 1387564543 /nfs/dbraw/zinc/56/45/43/1387564543.db2.gz TZMCNPBIAPAHEE-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001324340666 1387599072 /nfs/dbraw/zinc/59/90/72/1387599072.db2.gz WSIQDMTYVRGNKU-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001324957877 1387851420 /nfs/dbraw/zinc/85/14/20/1387851420.db2.gz OJVGLTRKCKCIGR-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[N@H+](C[C@H](O)C1(O)CCCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC001196544250 1368636078 /nfs/dbraw/zinc/63/60/78/1368636078.db2.gz CLAAMUWBMTXITQ-KRWDZBQOSA-N 2 0 340.552 3.064 10 0 EGAERP C[NH+](C)C[C@H](NCC[NH+]1CCCC1)c1ccc(Cl)c(Cl)c1 ZINC001196735715 1368672329 /nfs/dbraw/zinc/67/23/29/1368672329.db2.gz GHVDBCXDNVMGIF-INIZCTEOSA-N 2 0 330.303 3.282 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001325628271 1388014530 /nfs/dbraw/zinc/01/45/30/1388014530.db2.gz BCXDYTRYPHUDBB-AKHDSKFASA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001325665205 1388025104 /nfs/dbraw/zinc/02/51/04/1388025104.db2.gz JRGKYLBRWLSDQW-MUGJNUQGSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCC(C)CC1 ZINC001325914485 1388078406 /nfs/dbraw/zinc/07/84/06/1388078406.db2.gz AFSQQOIVECWJRN-GHBBCFCZSA-N 2 0 349.563 3.218 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001326448879 1388192716 /nfs/dbraw/zinc/19/27/16/1388192716.db2.gz CCXKIEHVNLFKGD-LJQANCHMSA-N 2 0 331.504 3.019 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCC2)CC1)[NH+](C)C ZINC001326555245 1388238051 /nfs/dbraw/zinc/23/80/51/1388238051.db2.gz OHKXMHXWOMSXAN-FHWLQOOXSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001326602612 1388255570 /nfs/dbraw/zinc/25/55/70/1388255570.db2.gz DFHLJKZSSCDPHD-GOSISDBHSA-N 2 0 343.515 3.014 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001326602613 1388255886 /nfs/dbraw/zinc/25/58/86/1388255886.db2.gz DFHLJKZSSCDPHD-SFHVURJKSA-N 2 0 343.515 3.014 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC001327148567 1388406612 /nfs/dbraw/zinc/40/66/12/1388406612.db2.gz UAJOZDAZGODBOZ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001327224567 1388450696 /nfs/dbraw/zinc/45/06/96/1388450696.db2.gz CHHNUIZEZRJGSL-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001265736343 1377164386 /nfs/dbraw/zinc/16/43/86/1377164386.db2.gz QFDFARYYASNQLK-CTWPCTMYSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[C@H]([NH2+]CCCF)C1 ZINC001266059127 1377179361 /nfs/dbraw/zinc/17/93/61/1377179361.db2.gz DYKKUYOOLDHSMJ-JKSUJKDBSA-N 2 0 341.515 3.016 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001266119872 1377196239 /nfs/dbraw/zinc/19/62/39/1377196239.db2.gz OGUHNYOISOFBAH-VQTJNVASSA-N 2 0 345.531 3.401 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001266238084 1377241546 /nfs/dbraw/zinc/24/15/46/1377241546.db2.gz JWEPHDVOIBHHLY-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC=C(C)C ZINC001266247622 1377245142 /nfs/dbraw/zinc/24/51/42/1377245142.db2.gz QJZYQTOWLIGRFF-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001266596336 1377341384 /nfs/dbraw/zinc/34/13/84/1377341384.db2.gz AXALECGPOCWOAW-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001266884485 1377399631 /nfs/dbraw/zinc/39/96/31/1377399631.db2.gz PLTDWYRERQMWCT-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001267207282 1377430171 /nfs/dbraw/zinc/43/01/71/1377430171.db2.gz CCPLOUURPYJCHI-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001267531698 1377452814 /nfs/dbraw/zinc/45/28/14/1377452814.db2.gz XBKJLPXRCXLNLU-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001267570527 1377460949 /nfs/dbraw/zinc/46/09/49/1377460949.db2.gz BPGYTWQBBIHYRT-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001267603914 1377463852 /nfs/dbraw/zinc/46/38/52/1377463852.db2.gz HFECOZAQTCUYAT-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C[N@H+](C)CC2CCCC2)CC1 ZINC001267759386 1377468389 /nfs/dbraw/zinc/46/83/89/1377468389.db2.gz YAWCEAXFWSEHPU-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CN(CCC[NH2+]CC1CCCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001268868330 1377529450 /nfs/dbraw/zinc/52/94/50/1377529450.db2.gz FPDRJUJZWHMZSO-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269339287 1377551358 /nfs/dbraw/zinc/55/13/58/1377551358.db2.gz KYYUIJGRYHZJPT-ZSQQTYLHSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+][C@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001269544693 1377558300 /nfs/dbraw/zinc/55/83/00/1377558300.db2.gz OTUWCLCHVFZEKL-MJGOQNOKSA-N 2 0 343.515 3.106 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001272093388 1377656209 /nfs/dbraw/zinc/65/62/09/1377656209.db2.gz PTQYBKCSKUTNTF-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001274340969 1378123328 /nfs/dbraw/zinc/12/33/28/1378123328.db2.gz ZNUWQQKGTUNSCS-WDJFIJIBSA-N 2 0 345.531 3.213 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CCC[C@@H](NC(=O)CC[NH+](C)C)[C@@H]2C)c(C)c1 ZINC001278521424 1378278280 /nfs/dbraw/zinc/27/82/80/1378278280.db2.gz NNQKRGWCIGLRSP-AZUAARDMSA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001278996603 1378296148 /nfs/dbraw/zinc/29/61/48/1378296148.db2.gz ZKCSTPKFAXDFQS-BZSNNMDCSA-N 2 0 339.568 3.273 10 0 EGAERP Cc1cccc(C[NH+]2CCC([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001279112578 1378298355 /nfs/dbraw/zinc/29/83/55/1378298355.db2.gz ZFDLASCDLHGODQ-GOSISDBHSA-N 2 0 345.531 3.052 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CCC1 ZINC001279585442 1378313642 /nfs/dbraw/zinc/31/36/42/1378313642.db2.gz BLYQETHBEFUXEK-WOJBJXKFSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280163580 1378332740 /nfs/dbraw/zinc/33/27/40/1378332740.db2.gz JONPKCMGIHDREP-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001280349941 1378342512 /nfs/dbraw/zinc/34/25/12/1378342512.db2.gz BPKBRYNDVUVNBA-QFBILLFUSA-N 2 0 331.504 3.236 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)NCC(C)(C)[NH+]1CCC[C@H](C)C1 ZINC001142240883 1378424694 /nfs/dbraw/zinc/42/46/94/1378424694.db2.gz ZUSJFWUHIDPBQY-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001281499788 1378436165 /nfs/dbraw/zinc/43/61/65/1378436165.db2.gz IGLJLYCCVUALNX-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001282744603 1378595392 /nfs/dbraw/zinc/59/53/92/1378595392.db2.gz LCQBPZHOIRBFIZ-SFHVURJKSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001283051800 1378717850 /nfs/dbraw/zinc/71/78/50/1378717850.db2.gz DTQJESOYAIBBFW-MKXGPGLRSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C1)c1ccccc1 ZINC001283101055 1378732610 /nfs/dbraw/zinc/73/26/10/1378732610.db2.gz CWOMUIUDQRYUPQ-LEAZDLGRSA-N 2 0 345.531 3.208 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001283262458 1378775418 /nfs/dbraw/zinc/77/54/18/1378775418.db2.gz WPDMVSZGRUFEET-RTBURBONSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001283278484 1378782452 /nfs/dbraw/zinc/78/24/52/1378782452.db2.gz MQCREIKOOFHURN-WMZOPIPTSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001283332004 1378815058 /nfs/dbraw/zinc/81/50/58/1378815058.db2.gz MIOIZFFUDQWWBI-CMDGGOBGSA-N 2 0 337.552 3.243 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)CC2CCC(C)CC2)CC1 ZINC001283344400 1378829275 /nfs/dbraw/zinc/82/92/75/1378829275.db2.gz QDITVJGHBCORNA-UHFFFAOYSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001283714875 1379138554 /nfs/dbraw/zinc/13/85/54/1379138554.db2.gz PYPKQDMKVOUIRY-QZTJIDSGSA-N 2 0 345.531 3.403 10 0 EGAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001283997744 1379351477 /nfs/dbraw/zinc/35/14/77/1379351477.db2.gz DCRIOOMTVFXBPU-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001284034744 1379384916 /nfs/dbraw/zinc/38/49/16/1379384916.db2.gz VBZSMFOEHSVGSF-ZLQADLMRSA-N 2 0 343.515 3.297 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001284130832 1379511529 /nfs/dbraw/zinc/51/15/29/1379511529.db2.gz XTPUGCFLCYLJAS-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001284133458 1379519554 /nfs/dbraw/zinc/51/95/54/1379519554.db2.gz XODMSTDCIPSHJA-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001284642682 1380049022 /nfs/dbraw/zinc/04/90/22/1380049022.db2.gz OPUJNGPSORKNMC-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001284780258 1380203237 /nfs/dbraw/zinc/20/32/37/1380203237.db2.gz OADZPBZFERDICB-CTWPCTMYSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CCCCC3)CC2)CC1 ZINC001284842748 1380263251 /nfs/dbraw/zinc/26/32/51/1380263251.db2.gz OINXJJIXTUIRQV-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)Nc2cccc(OCC[NH+](CC)CC)c2)CC[N@@H+]1C ZINC001159311024 1381758854 /nfs/dbraw/zinc/75/88/54/1381758854.db2.gz ORASYAGODXKDKK-RBUKOAKNSA-N 2 0 347.503 3.076 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC001290351285 1382084110 /nfs/dbraw/zinc/08/41/10/1382084110.db2.gz NWZOLJSBDKEICI-FQEVSTJZSA-N 2 0 343.515 3.019 10 0 EGAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC001170196336 1384261438 /nfs/dbraw/zinc/26/14/38/1384261438.db2.gz ZAOCTUNIJHGUDK-VSKRKVRLSA-N 2 0 341.543 3.172 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCCCC[NH+](Cc2ccccc2)C1)C1CCC1 ZINC001171139166 1384452947 /nfs/dbraw/zinc/45/29/47/1384452947.db2.gz KBZYYBJJZVXIMN-LJQANCHMSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316598095 1384464522 /nfs/dbraw/zinc/46/45/22/1384464522.db2.gz PDTNUXZFQOXXLG-QRVBRYPASA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001316643986 1384502594 /nfs/dbraw/zinc/50/25/94/1384502594.db2.gz JGMGNBNVWXBSNZ-XUVXKRRUSA-N 2 0 345.531 3.101 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1 ZINC001316654941 1384507359 /nfs/dbraw/zinc/50/73/59/1384507359.db2.gz JEOVKJPQTLKGOB-ZWKOTPCHSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001316665452 1384511552 /nfs/dbraw/zinc/51/15/52/1384511552.db2.gz ZFFIKAQBKWSQOZ-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)[NH+](CC)CC ZINC001316772182 1384570747 /nfs/dbraw/zinc/57/07/47/1384570747.db2.gz IKXHDXXNSLHRTN-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1cccc(F)c1 ZINC001316774921 1384573766 /nfs/dbraw/zinc/57/37/66/1384573766.db2.gz WCVZLSXDYYSGEX-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C/C=C\Cl)[NH+](CC)CC ZINC001316804439 1384593697 /nfs/dbraw/zinc/59/36/97/1384593697.db2.gz LCNBRVMQCNTLDY-IYKCHKFDSA-N 2 0 343.943 3.172 10 0 EGAERP CC(C)=CC[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001316844513 1384634063 /nfs/dbraw/zinc/63/40/63/1384634063.db2.gz SIHADAKOZYNUIC-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001316878358 1384663225 /nfs/dbraw/zinc/66/32/25/1384663225.db2.gz MDQTYGYGZRCPJT-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316879462 1384664272 /nfs/dbraw/zinc/66/42/72/1384664272.db2.gz LSMWDKKXNILXFO-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001316879466 1384664644 /nfs/dbraw/zinc/66/46/44/1384664644.db2.gz LSMWDKKXNILXFO-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001316930561 1384700417 /nfs/dbraw/zinc/70/04/17/1384700417.db2.gz GFLBLWWQQVDUDK-IBGZPJMESA-N 2 0 337.552 3.362 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C2)C1 ZINC001316944141 1384715948 /nfs/dbraw/zinc/71/59/48/1384715948.db2.gz JWXSZVWWOIMOSH-ABHNRTSZSA-N 2 0 349.563 3.266 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001316986671 1384742994 /nfs/dbraw/zinc/74/29/94/1384742994.db2.gz ROQHXEGGRGGDPS-IIMWHKGRSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001317007043 1384770017 /nfs/dbraw/zinc/77/00/17/1384770017.db2.gz MYMIJKLRNPJNMG-IBGZPJMESA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H](C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317024319 1384790607 /nfs/dbraw/zinc/79/06/07/1384790607.db2.gz JDMWRDIHFQUOSX-XLIONFOSSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C[NH+](C)C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001317043288 1384816500 /nfs/dbraw/zinc/81/65/00/1384816500.db2.gz JJHUKIUCYQMTQW-FQEVSTJZSA-N 2 0 345.531 3.006 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001317048724 1384825063 /nfs/dbraw/zinc/82/50/63/1384825063.db2.gz CTFIKAPXIVLKOR-PYSGZSLQSA-N 2 0 347.547 3.284 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001317062716 1384833513 /nfs/dbraw/zinc/83/35/13/1384833513.db2.gz PEQDXALYAKWXAH-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001317062713 1384834070 /nfs/dbraw/zinc/83/40/70/1384834070.db2.gz PEQDXALYAKWXAH-PMACEKPBSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001317097900 1384859726 /nfs/dbraw/zinc/85/97/26/1384859726.db2.gz HMMJFCLZTMYQBH-RAFMOHDBSA-N 2 0 349.563 3.265 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC001317099359 1384862218 /nfs/dbraw/zinc/86/22/18/1384862218.db2.gz BSQRQVQQKRJYOR-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317150655 1384917307 /nfs/dbraw/zinc/91/73/07/1384917307.db2.gz PKRVKUJOTDDQEZ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317191671 1384966136 /nfs/dbraw/zinc/96/61/36/1384966136.db2.gz CHUUOEQYHAGCBM-HXUWFJFHSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001317192994 1384967326 /nfs/dbraw/zinc/96/73/26/1384967326.db2.gz RDMKXEWJABJMHE-BDRZJWEDSA-N 2 0 343.515 3.011 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317199930 1384975208 /nfs/dbraw/zinc/97/52/08/1384975208.db2.gz OKWVPBDIGILRJT-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001329074835 1388956843 /nfs/dbraw/zinc/95/68/43/1388956843.db2.gz NRTGHDXWKACVIP-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCC(C)(C)C ZINC001317241252 1385014326 /nfs/dbraw/zinc/01/43/26/1385014326.db2.gz LCXTVHJBWZABRC-IAGOWNOFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCC1CCCC1 ZINC001317270667 1385041272 /nfs/dbraw/zinc/04/12/72/1385041272.db2.gz JQWVSKPUNNOVSY-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317361505 1385104443 /nfs/dbraw/zinc/10/44/43/1385104443.db2.gz USWBAUUABRNZIJ-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001317396531 1385113139 /nfs/dbraw/zinc/11/31/39/1385113139.db2.gz PFVXTTCAFWPAEZ-APWZRJJASA-N 2 0 349.563 3.314 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317397877 1385114039 /nfs/dbraw/zinc/11/40/39/1385114039.db2.gz YIURVGFSEBZCQW-MSOLQXFVSA-N 2 0 345.531 3.333 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001317414533 1385124815 /nfs/dbraw/zinc/12/48/15/1385124815.db2.gz ALBYKEYPWLNVRJ-CQOFWLJFSA-N 2 0 343.515 3.059 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+]1CCC2 ZINC001317425964 1385131801 /nfs/dbraw/zinc/13/18/01/1385131801.db2.gz CXVLSORSFSIJHG-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001317426978 1385132491 /nfs/dbraw/zinc/13/24/91/1385132491.db2.gz ORBZXISVQHRUKG-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001317501370 1385203864 /nfs/dbraw/zinc/20/38/64/1385203864.db2.gz HYECRLNUDJWKLJ-QZPVUJMKSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505332 1385211713 /nfs/dbraw/zinc/21/17/13/1385211713.db2.gz KSYSQYFACPXGMH-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512587 1385225542 /nfs/dbraw/zinc/22/55/42/1385225542.db2.gz NVLHIDFFUYSENH-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[NH+](CCC2=CCCCC2)C1)CC(C)(C)C ZINC001317530315 1385255235 /nfs/dbraw/zinc/25/52/35/1385255235.db2.gz VUNHLEZFWJEIRV-LJQANCHMSA-N 2 0 349.563 3.293 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CCC(C)(C)C ZINC001317540110 1385275893 /nfs/dbraw/zinc/27/58/93/1385275893.db2.gz CLEZZMPBGIEAKB-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@H+](CC2CCCCC2)C2CC2)C1 ZINC001317558854 1385333028 /nfs/dbraw/zinc/33/30/28/1385333028.db2.gz NMQPNEUAIDWHAC-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CC[NH2+]CCC2CCCCC2)C1 ZINC001317624982 1385359444 /nfs/dbraw/zinc/35/94/44/1385359444.db2.gz YWULVYJMRUGSKM-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001317672820 1385378874 /nfs/dbraw/zinc/37/88/74/1385378874.db2.gz VJMZOEOBCLRIAC-IEBWSBKVSA-N 2 0 335.536 3.042 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001317811990 1385512249 /nfs/dbraw/zinc/51/22/49/1385512249.db2.gz TYVFBXSEFUVPGV-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317991023 1385603126 /nfs/dbraw/zinc/60/31/26/1385603126.db2.gz CBQSNXBVLGGFGN-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318608170 1385793288 /nfs/dbraw/zinc/79/32/88/1385793288.db2.gz UXGCSQSFIKSRAO-WOJBJXKFSA-N 2 0 345.531 3.108 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001318804075 1385857985 /nfs/dbraw/zinc/85/79/85/1385857985.db2.gz LMKWQKKOKHMRBU-CEXWTWQISA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001318984469 1385909411 /nfs/dbraw/zinc/90/94/11/1385909411.db2.gz VEMRWYYEKOQCRF-VJANTYMQSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C)c1cccc(F)c1 ZINC001319124395 1385967751 /nfs/dbraw/zinc/96/77/51/1385967751.db2.gz KWNFULWWYPEWHX-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)CC[N@@H+]1C ZINC001319353530 1386075927 /nfs/dbraw/zinc/07/59/27/1386075927.db2.gz MWXJVURLQADZOI-IEBWSBKVSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001319403756 1386105085 /nfs/dbraw/zinc/10/50/85/1386105085.db2.gz VCOOIOYMDGYFJS-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001319405605 1386107057 /nfs/dbraw/zinc/10/70/57/1386107057.db2.gz UHJPZHBFRFYEBN-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001319593464 1386195159 /nfs/dbraw/zinc/19/51/59/1386195159.db2.gz OJADVZVKMFZHTD-QGZVFWFLSA-N 2 0 333.520 3.087 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CCC(C)(C)C ZINC001319849313 1386333513 /nfs/dbraw/zinc/33/35/13/1386333513.db2.gz OCFBWYUKLVFOCV-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001319865084 1386344043 /nfs/dbraw/zinc/34/40/43/1386344043.db2.gz QWYYCCLPTMXXQK-AZUAARDMSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001319868266 1386346687 /nfs/dbraw/zinc/34/66/87/1386346687.db2.gz KCMBVOVQGNBVKF-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)CC[C@@H]21 ZINC001320112173 1386520095 /nfs/dbraw/zinc/52/00/95/1386520095.db2.gz SJNRDMABCXBGCP-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001320147314 1386535070 /nfs/dbraw/zinc/53/50/70/1386535070.db2.gz POVBFWIYPTYVFS-OJBOGMDESA-N 2 0 347.547 3.236 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001320562675 1386651468 /nfs/dbraw/zinc/65/14/68/1386651468.db2.gz LAKMGDACGUFOAA-RTBURBONSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001320644822 1386677655 /nfs/dbraw/zinc/67/76/55/1386677655.db2.gz OCOHJEMTAJBCSX-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)C[N@H+](C)C(C)C ZINC001320930227 1386761658 /nfs/dbraw/zinc/76/16/58/1386761658.db2.gz XGTWEJCWPNBAAP-GOSISDBHSA-N 2 0 333.520 3.143 10 0 EGAERP CCN(CC[NH2+]C/C=C\c1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320929234 1386761857 /nfs/dbraw/zinc/76/18/57/1386761857.db2.gz RBDZILJDMAISCQ-KTZABMDBSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001321755860 1386975971 /nfs/dbraw/zinc/97/59/71/1386975971.db2.gz HLGHCOSXBSQZJZ-IAGOWNOFSA-N 2 0 333.520 3.306 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001322257802 1387124370 /nfs/dbraw/zinc/12/43/70/1387124370.db2.gz ICHCNHRRODDIER-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001322307264 1387151853 /nfs/dbraw/zinc/15/18/53/1387151853.db2.gz PPGJRBHIHBTCSU-JLAWEPINSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccc(F)cc1 ZINC001322852437 1387246703 /nfs/dbraw/zinc/24/67/03/1387246703.db2.gz OLQSMQMASDTJJD-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CCC[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001322852672 1387247200 /nfs/dbraw/zinc/24/72/00/1387247200.db2.gz VIOLSOACVPSUPC-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001329201565 1389018761 /nfs/dbraw/zinc/01/87/61/1389018761.db2.gz CRZQMPXUQNDNES-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCCC2CCCC2)CC1 ZINC001329244241 1389033662 /nfs/dbraw/zinc/03/36/62/1389033662.db2.gz TXRVPJQCZRXPRX-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001329500328 1389132166 /nfs/dbraw/zinc/13/21/66/1389132166.db2.gz HWGLZCCBKDKLSX-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)cc1 ZINC001698718988 1406363911 /nfs/dbraw/zinc/36/39/11/1406363911.db2.gz ZFVNJGVCHPDNIX-PMACEKPBSA-N 2 0 343.515 3.065 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C[NH2+]CC=C(C)C)CCCCC2)C1 ZINC001329846847 1389235780 /nfs/dbraw/zinc/23/57/80/1389235780.db2.gz WPRMDHSADHJRDL-IBGZPJMESA-N 2 0 349.563 3.483 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](CC)c2ccccc2)CC1(C)C ZINC001330244017 1389361586 /nfs/dbraw/zinc/36/15/86/1389361586.db2.gz IJOZUCQOZPDBCA-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)=CC[NH+]1C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466178 1389420566 /nfs/dbraw/zinc/42/05/66/1389420566.db2.gz GXQWJDGGRYAXIA-GBESFXJTSA-N 2 0 349.563 3.147 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001698726915 1406377704 /nfs/dbraw/zinc/37/77/04/1406377704.db2.gz JZICCLFOWYLMLK-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001331053714 1389611601 /nfs/dbraw/zinc/61/16/01/1389611601.db2.gz LRFYCKZCHYNABS-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001331177936 1389643978 /nfs/dbraw/zinc/64/39/78/1389643978.db2.gz XITKIPGOEWQJKX-HXUWFJFHSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCCC1 ZINC001331200393 1389652326 /nfs/dbraw/zinc/65/23/26/1389652326.db2.gz TYCOQSIQMZUYSD-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001331323305 1389701260 /nfs/dbraw/zinc/70/12/60/1389701260.db2.gz CTYFMZDZSMUVPJ-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331440190 1389749520 /nfs/dbraw/zinc/74/95/20/1389749520.db2.gz RDLVJECLSMPCEZ-IEBWSBKVSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750472 1406401699 /nfs/dbraw/zinc/40/16/99/1406401699.db2.gz YFNBHQDGMCDBHG-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001331927586 1389914786 /nfs/dbraw/zinc/91/47/86/1389914786.db2.gz ZBQWHJVDYXTUEP-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001331942313 1389920510 /nfs/dbraw/zinc/92/05/10/1389920510.db2.gz ASROAAGRWFIQNJ-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CCC1=CCCCC1 ZINC001698755449 1406408093 /nfs/dbraw/zinc/40/80/93/1406408093.db2.gz OVXONVUALQMVDO-SFHVURJKSA-N 2 0 347.547 3.095 10 0 EGAERP CCCc1ccc(C[NH2+][C@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001331944306 1389921394 /nfs/dbraw/zinc/92/13/94/1389921394.db2.gz ONKGJHUQYOQAIA-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@@H]2C1 ZINC001332151053 1390008569 /nfs/dbraw/zinc/00/85/69/1390008569.db2.gz YELRGSUMXOOCQN-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001332151051 1390008683 /nfs/dbraw/zinc/00/86/83/1390008683.db2.gz YELRGSUMXOOCQN-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001332294654 1390078418 /nfs/dbraw/zinc/07/84/18/1390078418.db2.gz VLBVHQFNQKIVFF-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001332301305 1390080906 /nfs/dbraw/zinc/08/09/06/1390080906.db2.gz LEIRSIXVXISPHC-AZUAARDMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001332342339 1390091843 /nfs/dbraw/zinc/09/18/43/1390091843.db2.gz UCRLYLQVZMKKSX-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)c1ccccc1 ZINC001332436950 1390117060 /nfs/dbraw/zinc/11/70/60/1390117060.db2.gz ISAGZRVEBGMQCZ-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001332707517 1390161478 /nfs/dbraw/zinc/16/14/78/1390161478.db2.gz MURSHPUZWPLLHK-LJQANCHMSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001332708139 1390162324 /nfs/dbraw/zinc/16/23/24/1390162324.db2.gz UZZHTDUKZMFWLH-SFHVURJKSA-N 2 0 325.541 3.074 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001698766282 1406422940 /nfs/dbraw/zinc/42/29/40/1406422940.db2.gz VGULGXADSCYCEX-IRXDYDNUSA-N 2 0 347.547 3.339 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001333070856 1390244696 /nfs/dbraw/zinc/24/46/96/1390244696.db2.gz QFDDHFKGEUTXEM-ZJRDLVKKSA-N 2 0 349.563 3.266 10 0 EGAERP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001333153612 1390257193 /nfs/dbraw/zinc/25/71/93/1390257193.db2.gz LMFLZMKRZRGUSH-UHFFFAOYSA-N 2 0 345.531 3.377 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)[C@@H]3CCC[N@@H+]3C(C)C)CC2)CC1 ZINC001333180296 1390262503 /nfs/dbraw/zinc/26/25/03/1390262503.db2.gz FEHQMKIWNMXZHU-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C2(NC(=O)[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001333192709 1390264412 /nfs/dbraw/zinc/26/44/12/1390264412.db2.gz PYDMQKAFZYJFAN-DUMMIQTOSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001698774644 1406437084 /nfs/dbraw/zinc/43/70/84/1406437084.db2.gz LFIPGQPUZOSCBW-SFHVURJKSA-N 2 0 349.563 3.339 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001698801547 1406478313 /nfs/dbraw/zinc/47/83/13/1406478313.db2.gz URIDRJIHZUNOFG-QGZVFWFLSA-N 2 0 331.504 3.026 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001488747774 1391715734 /nfs/dbraw/zinc/71/57/34/1391715734.db2.gz ZERJYIKFHQGPHF-ZSYWTGECSA-N 2 0 335.536 3.068 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698827509 1406520263 /nfs/dbraw/zinc/52/02/63/1406520263.db2.gz BVWUMCMPLSDQJC-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001698841195 1406538051 /nfs/dbraw/zinc/53/80/51/1406538051.db2.gz KRGLAMVJBTVCTJ-LNLFQRSKSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccnc(N)c1C[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC001353581983 1392043671 /nfs/dbraw/zinc/04/36/71/1392043671.db2.gz RBYOICGZFHGIAB-QGZVFWFLSA-N 2 0 330.520 3.449 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001479337631 1392218948 /nfs/dbraw/zinc/21/89/48/1392218948.db2.gz DRJXCSYQBUYSMB-SXLOBPIMSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001479471129 1392250564 /nfs/dbraw/zinc/25/05/64/1392250564.db2.gz KIZVCHYUTUXNDQ-JTDSTZFVSA-N 2 0 349.494 3.103 10 0 EGAERP Cc1nc[nH]c1CC(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2=CCCCC2)C1 ZINC001479488870 1392255225 /nfs/dbraw/zinc/25/52/25/1392255225.db2.gz QFMYTPLXXJAFOM-ZWKOTPCHSA-N 2 0 344.503 3.026 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[NH2+]CC1=CCCCC1 ZINC001479525753 1392268861 /nfs/dbraw/zinc/26/88/61/1392268861.db2.gz UGPCJENQWCINJT-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001479600543 1392285365 /nfs/dbraw/zinc/28/53/65/1392285365.db2.gz SGIRGWSFNRWTIM-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]2[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001479609807 1392285631 /nfs/dbraw/zinc/28/56/31/1392285631.db2.gz APJVRFRLBDFQCK-HOJAQTOUSA-N 2 0 349.563 3.290 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1CC ZINC001479642243 1392303539 /nfs/dbraw/zinc/30/35/39/1392303539.db2.gz AQRYMXLXFYCZRI-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001479690498 1392322284 /nfs/dbraw/zinc/32/22/84/1392322284.db2.gz QAJVKPYCAAJZIM-IBGZPJMESA-N 2 0 349.494 3.028 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001479745154 1392360371 /nfs/dbraw/zinc/36/03/71/1392360371.db2.gz IUYXBJLNELXURG-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC1CCC(C[NH+]2CCC(N(C)C(=O)CCc3c[nH]cn3)CC2)CC1 ZINC001479888410 1392459843 /nfs/dbraw/zinc/45/98/43/1392459843.db2.gz FVNXJEWNOLHZLT-UHFFFAOYSA-N 2 0 346.519 3.091 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480039957 1392545972 /nfs/dbraw/zinc/54/59/72/1392545972.db2.gz CHEAULLDTOLTLJ-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001480051390 1392551698 /nfs/dbraw/zinc/55/16/98/1392551698.db2.gz QIILDZPTZQDXRD-XLIONFOSSA-N 2 0 347.547 3.236 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001480088823 1392578953 /nfs/dbraw/zinc/57/89/53/1392578953.db2.gz MKPBDOWXNIRQDL-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001480180565 1392612832 /nfs/dbraw/zinc/61/28/32/1392612832.db2.gz DJYHQRKDFCEWSU-IHWFROFDSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1cccc2ccccc21 ZINC001480220719 1392625834 /nfs/dbraw/zinc/62/58/34/1392625834.db2.gz PGINQLNYWGYVIO-NXHRZFHOSA-N 2 0 339.483 3.089 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C2)c1 ZINC001480223316 1392626508 /nfs/dbraw/zinc/62/65/08/1392626508.db2.gz AABJQWNEXHMIHJ-YTQUADARSA-N 2 0 345.531 3.271 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480287271 1392660043 /nfs/dbraw/zinc/66/00/43/1392660043.db2.gz DXFKHINNZBFCEG-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001480317337 1392677615 /nfs/dbraw/zinc/67/76/15/1392677615.db2.gz BSWBQJSWOJDMFM-NYQZOWANSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001480364499 1392708608 /nfs/dbraw/zinc/70/86/08/1392708608.db2.gz VUFUBGFUAGOZFI-XJDXJNMNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]C/C=C\Cl)CC1 ZINC001480409828 1392746114 /nfs/dbraw/zinc/74/61/14/1392746114.db2.gz UKXIAWHGKAYFOL-ZDYDXEFCSA-N 2 0 341.927 3.019 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001480411804 1392747079 /nfs/dbraw/zinc/74/70/79/1392747079.db2.gz UQVIMJGSSIQGCP-ONEGZZNKSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(Cl)c(Cl)c1 ZINC001480530380 1392781249 /nfs/dbraw/zinc/78/12/49/1392781249.db2.gz FVUIQJABTINACS-RYUDHWBXSA-N 2 0 346.302 3.100 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001480661918 1392841035 /nfs/dbraw/zinc/84/10/35/1392841035.db2.gz RDFSAOXSCNIPNB-SXLOBPIMSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)CCC[NH+](C)C)C2)c1 ZINC001480662730 1392841264 /nfs/dbraw/zinc/84/12/64/1392841264.db2.gz YODOFBHUNPUVPA-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP CC1CCC(C[N@H+](C)[C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001480732950 1392895846 /nfs/dbraw/zinc/89/58/46/1392895846.db2.gz IMORTSCDHVJYAG-ACBHZAAOSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001480764630 1392919955 /nfs/dbraw/zinc/91/99/55/1392919955.db2.gz OJPJXRBMYATPJN-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001480801475 1392942531 /nfs/dbraw/zinc/94/25/31/1392942531.db2.gz XKWJAWHRQQUBCF-QGZVFWFLSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@@H](C(=O)NCC[N@H+](C)CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001480920203 1393021420 /nfs/dbraw/zinc/02/14/20/1393021420.db2.gz JJSFARBBUBOAGQ-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481112501 1393122776 /nfs/dbraw/zinc/12/27/76/1393122776.db2.gz KEHDVFTWJRRECL-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CC1 ZINC001481179398 1393142849 /nfs/dbraw/zinc/14/28/49/1393142849.db2.gz AMCFKUQSUPJNKV-QGZVFWFLSA-N 2 0 343.515 3.203 10 0 EGAERP CN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001481245587 1393153122 /nfs/dbraw/zinc/15/31/22/1393153122.db2.gz KPPZADZOAGPRQM-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481343074 1393168655 /nfs/dbraw/zinc/16/86/55/1393168655.db2.gz QLOJJRFWMYZTKL-QGZVFWFLSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001481343526 1393168685 /nfs/dbraw/zinc/16/86/85/1393168685.db2.gz OWCBMOYQHANCLB-QGZVFWFLSA-N 2 0 339.568 3.370 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001698895995 1406628726 /nfs/dbraw/zinc/62/87/26/1406628726.db2.gz WPYFQVOGSGLYRD-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2CCCC2)C1 ZINC001698938952 1406678803 /nfs/dbraw/zinc/67/88/03/1406678803.db2.gz OMODKCWKDQULQL-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001490383487 1394211002 /nfs/dbraw/zinc/21/10/02/1394211002.db2.gz RVKFBPVQBBWGNE-LJQANCHMSA-N 2 0 335.536 3.164 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001481374318 1394215919 /nfs/dbraw/zinc/21/59/19/1394215919.db2.gz LVCXZXQOZPOPPQ-VQTJNVASSA-N 2 0 343.515 3.108 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481408934 1394265307 /nfs/dbraw/zinc/26/53/07/1394265307.db2.gz VIEZPANURKTJRJ-PKOBYXMFSA-N 2 0 337.552 3.077 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001490606881 1394280155 /nfs/dbraw/zinc/28/01/55/1394280155.db2.gz BBOXJTULTKMIRY-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC[C@H]2CC[NH+](CCC3CCCCC3)C2)C1 ZINC001481451605 1394307877 /nfs/dbraw/zinc/30/78/77/1394307877.db2.gz IWYYRJHZMRISCG-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530411 1394386458 /nfs/dbraw/zinc/38/64/58/1394386458.db2.gz TXUROTJEQRAVKD-XSXCZSQGSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001481539328 1394401020 /nfs/dbraw/zinc/40/10/20/1394401020.db2.gz ZGILTINMQVKYRX-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001491069439 1394417971 /nfs/dbraw/zinc/41/79/71/1394417971.db2.gz KSOMXCSGCHKCQP-ARHOITHKSA-N 2 0 335.536 3.090 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2C)C1 ZINC001491073685 1394419711 /nfs/dbraw/zinc/41/97/11/1394419711.db2.gz OYKQECCRIQSVKM-KURKYZTESA-N 2 0 331.504 3.025 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001491125129 1394441262 /nfs/dbraw/zinc/44/12/62/1394441262.db2.gz GYIANAHLAVYXDG-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153532 1394452537 /nfs/dbraw/zinc/45/25/37/1394452537.db2.gz LTGCDYAAPUOEAL-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001491172433 1394458423 /nfs/dbraw/zinc/45/84/23/1394458423.db2.gz DZILOVPJKASLTD-GOSISDBHSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001491191160 1394465244 /nfs/dbraw/zinc/46/52/44/1394465244.db2.gz PZTGZAWGGCVBIN-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709913 1394468810 /nfs/dbraw/zinc/46/88/10/1394468810.db2.gz XMZZIQCQZPBNLP-LXORQPIJSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CC(C)(C)C1 ZINC001491229059 1394484544 /nfs/dbraw/zinc/48/45/44/1394484544.db2.gz CGRHQZXSKXHUAL-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001491258431 1394494191 /nfs/dbraw/zinc/49/41/91/1394494191.db2.gz CMXSADRNENMIOY-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481753325 1394497282 /nfs/dbraw/zinc/49/72/82/1394497282.db2.gz SJIQYVRHZWXQCB-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCCC[C@H]1C[NH2+]CC1CCCC1 ZINC001491271303 1394498950 /nfs/dbraw/zinc/49/89/50/1394498950.db2.gz NKECUJBVALBSFM-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001481773595 1394518756 /nfs/dbraw/zinc/51/87/56/1394518756.db2.gz YDIOQKVUWSCKOR-CTWPCTMYSA-N 2 0 349.563 3.077 10 0 EGAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001481778741 1394523570 /nfs/dbraw/zinc/52/35/70/1394523570.db2.gz NXXPXTQVPCVZMK-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001481910150 1394591887 /nfs/dbraw/zinc/59/18/87/1394591887.db2.gz HJRYOYYCMYTHRY-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001481981119 1394642384 /nfs/dbraw/zinc/64/23/84/1394642384.db2.gz JYHQQLRPHVUROT-LJQANCHMSA-N 2 0 349.563 3.413 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001482008338 1394668066 /nfs/dbraw/zinc/66/80/66/1394668066.db2.gz OYAQEEJMJBQTFK-HDICACEKSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC(CC[NH2+]CCCC3CCCC3)CC2)C1 ZINC001482008344 1394668210 /nfs/dbraw/zinc/66/82/10/1394668210.db2.gz PDRMQCDFJRQOQC-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCC1 ZINC001482222758 1394816810 /nfs/dbraw/zinc/81/68/10/1394816810.db2.gz JRIBLGZYICZASC-SFHVURJKSA-N 2 0 347.547 3.070 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001482317960 1394888476 /nfs/dbraw/zinc/88/84/76/1394888476.db2.gz SWKIGOIYLDSZQN-IEBWSBKVSA-N 2 0 345.531 3.449 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C)C1 ZINC001482322606 1394893559 /nfs/dbraw/zinc/89/35/59/1394893559.db2.gz BSPNHBLTGGRKHR-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001482370028 1394931886 /nfs/dbraw/zinc/93/18/86/1394931886.db2.gz RAOHHELWJOYALF-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001482469806 1395024555 /nfs/dbraw/zinc/02/45/55/1395024555.db2.gz FGYQHNGXKAVEHN-MOPGFXCFSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482495256 1395047675 /nfs/dbraw/zinc/04/76/75/1395047675.db2.gz NJLTUVRYBMPZLA-PXNSSMCTSA-N 2 0 345.531 3.031 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001483911827 1395141378 /nfs/dbraw/zinc/14/13/78/1395141378.db2.gz XQZIHMDYYGEBIR-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001483957185 1395162057 /nfs/dbraw/zinc/16/20/57/1395162057.db2.gz DAQLYLKKGJKCNE-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001483958393 1395162780 /nfs/dbraw/zinc/16/27/80/1395162780.db2.gz HEPUHHPYOTVAOF-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001483959208 1395163034 /nfs/dbraw/zinc/16/30/34/1395163034.db2.gz OAYKWHPJRLUCNB-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001484006844 1395181648 /nfs/dbraw/zinc/18/16/48/1395181648.db2.gz NSDILNPYHVNRAR-LSLCWXNRSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057936 1395219922 /nfs/dbraw/zinc/21/99/22/1395219922.db2.gz MWURTMWGMTUIGB-CTNGQTDRSA-N 2 0 345.531 3.196 10 0 EGAERP CCCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001484557862 1395439543 /nfs/dbraw/zinc/43/95/43/1395439543.db2.gz YEHPOWOUNYBSGD-HDICACEKSA-N 2 0 345.531 3.408 10 0 EGAERP CCC1([NH2+]Cc2cc(C)ccc2C)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001484817089 1395551665 /nfs/dbraw/zinc/55/16/65/1395551665.db2.gz VNVHWOWUURLKTM-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978917 1395619161 /nfs/dbraw/zinc/61/91/61/1395619161.db2.gz KIIVXDAKANWWMA-IEBWSBKVSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CC[NH+](CC)C2)C1 ZINC001485082130 1395652245 /nfs/dbraw/zinc/65/22/45/1395652245.db2.gz MJFIUXIKVKSMCJ-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC2(C[NH2+]CCCC3CCC3)CCCCC2)CC[N@@H+]1C ZINC001485450706 1395918450 /nfs/dbraw/zinc/91/84/50/1395918450.db2.gz LWPGOOJLNOBHRU-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC001485480213 1395960172 /nfs/dbraw/zinc/96/01/72/1395960172.db2.gz RIPFEQGCYMCRAM-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001485482499 1395966438 /nfs/dbraw/zinc/96/64/38/1395966438.db2.gz OVCRXJGCQLRGSK-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H](CCC[NH2+]CC1=CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001485740673 1396127700 /nfs/dbraw/zinc/12/77/00/1396127700.db2.gz RQHWPIVBCOGZNN-QGZVFWFLSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001486240850 1396187376 /nfs/dbraw/zinc/18/73/76/1396187376.db2.gz QHBRNLPCDADHSQ-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001502747455 1396226382 /nfs/dbraw/zinc/22/63/82/1396226382.db2.gz CSZMMIPJLAZYPU-QUCCMNQESA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CC2CCCCC2)C1 ZINC001491858678 1396298756 /nfs/dbraw/zinc/29/87/56/1396298756.db2.gz KSLXBXOVWJNRCJ-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP Cc1c(C(=O)NCCC[C@H]2CCC[N@H+]2CC(C)C)ccc2c[nH+]cn21 ZINC001492159607 1396309764 /nfs/dbraw/zinc/30/97/64/1396309764.db2.gz DSOHFKILQWTIIC-KRWDZBQOSA-N 2 0 342.487 3.273 10 0 EGAERP C[N@H+](CCCC1CCCC1)CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001492303208 1396318445 /nfs/dbraw/zinc/31/84/45/1396318445.db2.gz IGYSICBJCOTSSJ-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001493123160 1396336121 /nfs/dbraw/zinc/33/61/21/1396336121.db2.gz CVZHOWKBUGYQSJ-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001494155054 1396387861 /nfs/dbraw/zinc/38/78/61/1396387861.db2.gz ASMAIHFHTGZARB-OTWHNJEPSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001494241917 1396407766 /nfs/dbraw/zinc/40/77/66/1396407766.db2.gz WBFZUOLJOBMXIN-DSQZMVHQSA-N 2 0 335.536 3.186 10 0 EGAERP CCCC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001495325042 1396533371 /nfs/dbraw/zinc/53/33/71/1396533371.db2.gz LAMDZTLEJBMSQN-YLJYHZDGSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001495809891 1396560852 /nfs/dbraw/zinc/56/08/52/1396560852.db2.gz ULARUYONTVDRQR-ROUUACIJSA-N 2 0 345.531 3.309 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCCC1 ZINC001496320910 1396649286 /nfs/dbraw/zinc/64/92/86/1396649286.db2.gz RPHIZGWVIXAWPV-LJQANCHMSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001496365614 1396670349 /nfs/dbraw/zinc/67/03/49/1396670349.db2.gz ZWVGXRLFBXROGI-XLIONFOSSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001496369372 1396671770 /nfs/dbraw/zinc/67/17/70/1396671770.db2.gz KIYWBYCMOMIGNU-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001496369371 1396671875 /nfs/dbraw/zinc/67/18/75/1396671875.db2.gz KIYWBYCMOMIGNU-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001496414130 1396697423 /nfs/dbraw/zinc/69/74/23/1396697423.db2.gz KZRIASHYSKXFOY-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001496414797 1396698195 /nfs/dbraw/zinc/69/81/95/1396698195.db2.gz MLRWSHDEICSTOL-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001496490828 1396709065 /nfs/dbraw/zinc/70/90/65/1396709065.db2.gz JCDQQZFLBUEQFG-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001497268725 1396740762 /nfs/dbraw/zinc/74/07/62/1396740762.db2.gz PDLWETPZKYFFQE-LPHOPBHVSA-N 2 0 347.547 3.309 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001497889343 1396873582 /nfs/dbraw/zinc/87/35/82/1396873582.db2.gz FCKOBKKRHOCMBS-RYRKJORJSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001497994071 1396907555 /nfs/dbraw/zinc/90/75/55/1396907555.db2.gz WHCZDPKLSHHLMJ-QUCCMNQESA-N 2 0 345.531 3.081 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001689271086 1397004523 /nfs/dbraw/zinc/00/45/23/1397004523.db2.gz BWROZOIPVFROST-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001498483761 1397029604 /nfs/dbraw/zinc/02/96/04/1397029604.db2.gz GGLIBIVGSQTHNV-PKOBYXMFSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001689363261 1403700955 /nfs/dbraw/zinc/70/09/55/1403700955.db2.gz QBZRVRBLXZLIIL-ZEVQVBBLSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001689365856 1403705835 /nfs/dbraw/zinc/70/58/35/1403705835.db2.gz PWTSKSSNFFICKD-IBGZPJMESA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001689906744 1404199708 /nfs/dbraw/zinc/19/97/08/1404199708.db2.gz URISTJQUNKSELT-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689912175 1404205435 /nfs/dbraw/zinc/20/54/35/1404205435.db2.gz RLBYOHHKMHWSFP-DLBZAZTESA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)=CC[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001689996150 1404245654 /nfs/dbraw/zinc/24/56/54/1404245654.db2.gz VCLLSXNMGJGBPE-UHFFFAOYSA-N 2 0 340.471 3.193 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)C(C)C)CC1 ZINC001690131615 1404327342 /nfs/dbraw/zinc/32/73/42/1404327342.db2.gz VKDRAVJGNOZTKP-ZEVQVBBLSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001690154361 1404353041 /nfs/dbraw/zinc/35/30/41/1404353041.db2.gz ZBGUOEJPLLMIMG-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001690199637 1404411499 /nfs/dbraw/zinc/41/14/99/1404411499.db2.gz WKLXXLDWPYGFLY-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001690207404 1404415478 /nfs/dbraw/zinc/41/54/78/1404415478.db2.gz WVNAKPJJDQJNEH-HSALFYBXSA-N 2 0 347.547 3.259 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001690295230 1404455383 /nfs/dbraw/zinc/45/53/83/1404455383.db2.gz OUMVJVMMZGVKBO-CYKMHDRDSA-N 2 0 335.536 3.090 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690317672 1404473247 /nfs/dbraw/zinc/47/32/47/1404473247.db2.gz JJBPGZHHCGUJFG-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCC(C)C)CC[C@@H]21 ZINC001690317855 1404475021 /nfs/dbraw/zinc/47/50/21/1404475021.db2.gz LRMSXBYMQQJBTR-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001690383378 1404515252 /nfs/dbraw/zinc/51/52/52/1404515252.db2.gz NMNVQQOTXAPJNL-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001690407733 1404543361 /nfs/dbraw/zinc/54/33/61/1404543361.db2.gz PURBRJVBADLLQM-INIZCTEOSA-N 2 0 349.544 3.218 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001690480255 1404599766 /nfs/dbraw/zinc/59/97/66/1404599766.db2.gz IONVFWAEKQHGOB-MOPGFXCFSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001690538570 1404626036 /nfs/dbraw/zinc/62/60/36/1404626036.db2.gz JZIORDHYDHBHBQ-MCHBXGQCSA-N 2 0 349.563 3.482 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001690741629 1404704335 /nfs/dbraw/zinc/70/43/35/1404704335.db2.gz UUEMVEWHLNLVRI-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001690849095 1404775665 /nfs/dbraw/zinc/77/56/65/1404775665.db2.gz SKFGNJJRJHDGSG-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001690971115 1404877823 /nfs/dbraw/zinc/87/78/23/1404877823.db2.gz SAZZZWFASQJURW-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CCCCC1)[NH+](CC)CC ZINC001691058710 1404980989 /nfs/dbraw/zinc/98/09/89/1404980989.db2.gz OHWLBLYUVNQDDR-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691098712 1405036793 /nfs/dbraw/zinc/03/67/93/1405036793.db2.gz WKPRTFNWBWLVKJ-KSZLIROESA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691106265 1405046444 /nfs/dbraw/zinc/04/64/44/1405046444.db2.gz UZKDUUQXCVGFCP-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001691186517 1405124603 /nfs/dbraw/zinc/12/46/03/1405124603.db2.gz VKADHSBGFNFRQV-UHFFFAOYSA-N 2 0 328.460 3.051 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001691228135 1405168120 /nfs/dbraw/zinc/16/81/20/1405168120.db2.gz OXXYUWQTRZMYDY-LJQANCHMSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001691402303 1405238863 /nfs/dbraw/zinc/23/88/63/1405238863.db2.gz JINFZPAQXXDGKZ-WOJBJXKFSA-N 2 0 345.531 3.148 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001691480092 1405294687 /nfs/dbraw/zinc/29/46/87/1405294687.db2.gz RBQBDOXTXHWKPO-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCCCC2)C1 ZINC001691661611 1405395136 /nfs/dbraw/zinc/39/51/36/1405395136.db2.gz VWPZRHUGERGJPH-QUCCMNQESA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC([C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001691691783 1405426349 /nfs/dbraw/zinc/42/63/49/1405426349.db2.gz FDXWMWDDDKRBRJ-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccccc1F ZINC001691736019 1405458256 /nfs/dbraw/zinc/45/82/56/1405458256.db2.gz GGZSLHMJDDIQOB-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001691758090 1405474960 /nfs/dbraw/zinc/47/49/60/1405474960.db2.gz RUEYJMQWDUVIHQ-HSALFYBXSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001691805386 1405517991 /nfs/dbraw/zinc/51/79/91/1405517991.db2.gz JDCFCDLCSGZZBD-VQTJNVASSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001691823768 1405540344 /nfs/dbraw/zinc/54/03/44/1405540344.db2.gz WMAYASJAFIRYRL-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001691853000 1405568811 /nfs/dbraw/zinc/56/88/11/1405568811.db2.gz NPTLXIXWRJSFKM-GBESFXJTSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001691867199 1405587909 /nfs/dbraw/zinc/58/79/09/1405587909.db2.gz OQWZZMIDYIUWJL-UXHICEINSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001691960213 1405677398 /nfs/dbraw/zinc/67/73/98/1405677398.db2.gz MYINKZUVLAWDLM-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001691960368 1405677518 /nfs/dbraw/zinc/67/75/18/1405677518.db2.gz PSBYOAQNFKISMA-QULHZPMSSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001691968632 1405684684 /nfs/dbraw/zinc/68/46/84/1405684684.db2.gz MEWTXIUPORQTKG-ZMBJWTFHSA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001691968631 1405685010 /nfs/dbraw/zinc/68/50/10/1405685010.db2.gz MEWTXIUPORQTKG-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001691976207 1405691378 /nfs/dbraw/zinc/69/13/78/1405691378.db2.gz PBGGWPNOSGUWHZ-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC[N@@H+]1CCCC(C)C ZINC001692026915 1405744781 /nfs/dbraw/zinc/74/47/81/1405744781.db2.gz DJKHHPOAGSVOHG-IPMKNSEASA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)C)C1 ZINC001692121737 1405784065 /nfs/dbraw/zinc/78/40/65/1405784065.db2.gz XJQGIGZGQAYVOC-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccc(C[NH2+][C@@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001692127708 1405786365 /nfs/dbraw/zinc/78/63/65/1405786365.db2.gz BFKGERGKICIBJH-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CC[NH+](CC1)C2 ZINC001731760199 1427863613 /nfs/dbraw/zinc/86/36/13/1427863613.db2.gz XICVCDAOAITUBW-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1CCC1CC1 ZINC001692196947 1405835154 /nfs/dbraw/zinc/83/51/54/1405835154.db2.gz QCLBSEXIVXGYBQ-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)c1sccc1C[NH+](C)C)CC1CCCC1 ZINC001731804982 1427973988 /nfs/dbraw/zinc/97/39/88/1427973988.db2.gz SJCBDBPSEIUFMQ-UHFFFAOYSA-N 2 0 337.533 3.052 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)CC(C)(C)C1)[NH+](C)C ZINC001692280220 1405915120 /nfs/dbraw/zinc/91/51/20/1405915120.db2.gz RJOIFWIKTGDKPZ-IRXDYDNUSA-N 2 0 339.568 3.370 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](CC)CC ZINC001698547336 1406143824 /nfs/dbraw/zinc/14/38/24/1406143824.db2.gz IGINNLHDJVYPOL-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698553858 1406150805 /nfs/dbraw/zinc/15/08/05/1406150805.db2.gz QIYIBQLADJLJMC-PXDRNWIDSA-N 2 0 343.515 3.299 10 0 EGAERP CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580474 1406192208 /nfs/dbraw/zinc/19/22/08/1406192208.db2.gz DIMSZZMQEXQELP-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698602527 1406229372 /nfs/dbraw/zinc/22/93/72/1406229372.db2.gz ZVSIFDCYRDWSDI-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@H]1CC[N@H+](CC(C)C)C1 ZINC001732038502 1428263025 /nfs/dbraw/zinc/26/30/25/1428263025.db2.gz HNKGDQFTJPUNOH-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001732081878 1428337072 /nfs/dbraw/zinc/33/70/72/1428337072.db2.gz RJHPRGWOOBZHKK-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cccc([C@@H](C)[NH+](C)C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001732085036 1428343275 /nfs/dbraw/zinc/34/32/75/1428343275.db2.gz YGVVQEKXPOYYPY-MOPGFXCFSA-N 2 0 345.531 3.177 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NCC1C[NH+](CCC(C)(C)C)C1)c1ccccc1 ZINC001732137644 1428383169 /nfs/dbraw/zinc/38/31/69/1428383169.db2.gz KCDQIFKJPMYCJG-IBGZPJMESA-N 2 0 345.531 3.164 10 0 EGAERP CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1=CCCCC1 ZINC001732214889 1428463181 /nfs/dbraw/zinc/46/31/81/1428463181.db2.gz HZXDPRJVAVLQJF-HXUWFJFHSA-N 2 0 343.515 3.347 10 0 EGAERP CC[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1CC(C)(C)C1 ZINC001732218777 1428467169 /nfs/dbraw/zinc/46/71/69/1428467169.db2.gz XICTYEYCVCHXCA-IBGZPJMESA-N 2 0 349.563 3.029 10 0 EGAERP CCC[NH2+]C[C@@]1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCC[C@@H]1C ZINC001732258273 1428498831 /nfs/dbraw/zinc/49/88/31/1428498831.db2.gz CPRQKKPWZNJOEN-UWJYYQICSA-N 2 0 345.531 3.427 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001732271114 1428507368 /nfs/dbraw/zinc/50/73/68/1428507368.db2.gz DWQQAWFAAVQNKV-WWAPKCSDSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]CC2CC2)CC1 ZINC001732309143 1428523282 /nfs/dbraw/zinc/52/32/82/1428523282.db2.gz YDOCMWSHFJJOCK-QAQDUYKDSA-N 2 0 335.536 3.066 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001732330316 1428537068 /nfs/dbraw/zinc/53/70/68/1428537068.db2.gz YQZHUHAWUUZUDU-XSXCZSQGSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1CCC)CC2 ZINC001732330373 1428537141 /nfs/dbraw/zinc/53/71/41/1428537141.db2.gz WSCJZBRIOKOKRX-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001732358486 1428547076 /nfs/dbraw/zinc/54/70/76/1428547076.db2.gz QFOKEXTZXVMOFG-AEFFLSMTSA-N 2 0 345.531 3.048 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001732513653 1428632674 /nfs/dbraw/zinc/63/26/74/1428632674.db2.gz FHCVOXLJYYDXDF-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)c1 ZINC001732515911 1428635507 /nfs/dbraw/zinc/63/55/07/1428635507.db2.gz HKIKLIXPNRMZPF-FQEVSTJZSA-N 2 0 343.515 3.133 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CCCC1CCC1 ZINC001732521407 1428640039 /nfs/dbraw/zinc/64/00/39/1428640039.db2.gz YHFREZKIJQKACV-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001699101852 1412510818 /nfs/dbraw/zinc/51/08/18/1412510818.db2.gz YFGDDVKFLUHART-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001699107612 1412513842 /nfs/dbraw/zinc/51/38/42/1412513842.db2.gz MMKGUJZXYAKYTM-CQSZACIVSA-N 2 0 337.533 3.098 10 0 EGAERP CC[C@@H]([NH2+]CCN(CC)C(=O)C(C)(C)c1cnc[nH]1)c1ccccc1 ZINC001699214902 1412580157 /nfs/dbraw/zinc/58/01/57/1412580157.db2.gz VDVAZGUWFKSTIR-QGZVFWFLSA-N 2 0 342.487 3.277 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699365824 1412672736 /nfs/dbraw/zinc/67/27/36/1412672736.db2.gz YESIFNLRNVHTFR-AEFFLSMTSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001699388877 1412702801 /nfs/dbraw/zinc/70/28/01/1412702801.db2.gz ZQIGMBBLPOCOPY-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]CCC2=CCCCC2)ccc2c[nH+]cn21 ZINC001699411114 1412724108 /nfs/dbraw/zinc/72/41/08/1412724108.db2.gz DFCZDTKQEOOFRA-HNNXBMFYSA-N 2 0 340.471 3.241 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507814 1412896513 /nfs/dbraw/zinc/89/65/13/1412896513.db2.gz JMIXCGDCKODEBM-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1ccccc1C ZINC001699554753 1412921693 /nfs/dbraw/zinc/92/16/93/1412921693.db2.gz YEUXMLVOXPOPAQ-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CC2)cc1 ZINC001699592111 1412951465 /nfs/dbraw/zinc/95/14/65/1412951465.db2.gz KWWJAIFZOQAHGP-LJQANCHMSA-N 2 0 345.531 3.282 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@H]1[NH2+]CCC1=CCCCC1 ZINC001699605355 1412968380 /nfs/dbraw/zinc/96/83/80/1412968380.db2.gz IJFAGNCOLJWTJQ-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C(=O)N1CCC([C@H]2CC[N@H+](CC3CC3)C2)CC1)[NH+](CC)CC ZINC001699676037 1413070183 /nfs/dbraw/zinc/07/01/83/1413070183.db2.gz GQHJWVHLERMEHQ-PMACEKPBSA-N 2 0 349.563 3.077 10 0 EGAERP CN(C(=O)c1cccc(C[NH+](C)C)c1)C1C[NH+](CCCC(C)(C)C)C1 ZINC001699725564 1413139980 /nfs/dbraw/zinc/13/99/80/1413139980.db2.gz JQMIHYNZXZRRKC-UHFFFAOYSA-N 2 0 345.531 3.331 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699752779 1413159829 /nfs/dbraw/zinc/15/98/29/1413159829.db2.gz GCZIELHXUCXNLE-LOKQZNEXSA-N 2 0 347.547 3.330 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC1 ZINC001699796408 1413205189 /nfs/dbraw/zinc/20/51/89/1413205189.db2.gz MBOOXDNDMYUNDT-LJQANCHMSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)(C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCC1)[NH+]1CCCC1 ZINC001699797622 1413207491 /nfs/dbraw/zinc/20/74/91/1413207491.db2.gz UEOWFJJTHBFDGM-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CC1CCC(C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)CC1 ZINC001699797864 1413207680 /nfs/dbraw/zinc/20/76/80/1413207680.db2.gz WHOGOWITINXSSQ-TVPLGVNVSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001699799033 1413209678 /nfs/dbraw/zinc/20/96/78/1413209678.db2.gz DVSSLKFRSBZNSR-FGTMMUONSA-N 2 0 337.552 3.218 10 0 EGAERP C[C@H](c1ccccc1Cl)[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824708 1413248846 /nfs/dbraw/zinc/24/88/46/1413248846.db2.gz RIVLQPOECJRGKG-DNVCBOLYSA-N 2 0 349.906 3.077 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001699862394 1413296865 /nfs/dbraw/zinc/29/68/65/1413296865.db2.gz TUQWVNVASUFNOB-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1C ZINC001699971191 1413409971 /nfs/dbraw/zinc/40/99/71/1413409971.db2.gz XAPYDJDPKOUBIA-CWDJHMJFSA-N 2 0 337.552 3.005 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCC[NH+]1CCCC1 ZINC001700017007 1413462953 /nfs/dbraw/zinc/46/29/53/1413462953.db2.gz LYNNCJKIHVBFOA-MOPGFXCFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001732549656 1428729193 /nfs/dbraw/zinc/72/91/93/1428729193.db2.gz YLRGRFBDUGSMQZ-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700085916 1413497177 /nfs/dbraw/zinc/49/71/77/1413497177.db2.gz UCEGPVJXZKIRRD-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094337 1413508437 /nfs/dbraw/zinc/50/84/37/1413508437.db2.gz SMMLEHJIODKHQJ-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700097843 1413514448 /nfs/dbraw/zinc/51/44/48/1413514448.db2.gz NNRZWZZKRVFEKP-WDSOQIARSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001700100631 1413518212 /nfs/dbraw/zinc/51/82/12/1413518212.db2.gz WRDBNIJAYWBVRE-ZWKOTPCHSA-N 2 0 343.515 3.261 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700129102 1413544459 /nfs/dbraw/zinc/54/44/59/1413544459.db2.gz DDXOSKFCPFBCTE-HXUWFJFHSA-N 2 0 343.515 3.299 10 0 EGAERP Cc1cc(C[NH2+]C2(CNC(=O)CC[C@H]3CCC[N@H+]3C)CCC2)cs1 ZINC001700155001 1413569587 /nfs/dbraw/zinc/56/95/87/1413569587.db2.gz LPHOKHFQFUFUQU-QGZVFWFLSA-N 2 0 349.544 3.059 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700181160 1413594820 /nfs/dbraw/zinc/59/48/20/1413594820.db2.gz PUHPCYAYZCXGDK-JTHGQSKGSA-N 2 0 337.552 3.291 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001700219864 1413665696 /nfs/dbraw/zinc/66/56/96/1413665696.db2.gz KVKWBRAFXUDEHF-BTFXCVNISA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001700321060 1413787313 /nfs/dbraw/zinc/78/73/13/1413787313.db2.gz WEXNMTDYJFSFKJ-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCC1 ZINC001732565444 1428757144 /nfs/dbraw/zinc/75/71/44/1428757144.db2.gz NAHWOMPCCIOPSO-WDSOQIARSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)[NH+](CC)CC ZINC001700345531 1413831952 /nfs/dbraw/zinc/83/19/52/1413831952.db2.gz UTEWAQBEPOPNLW-PMACEKPBSA-N 2 0 345.531 3.278 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001700366122 1413891580 /nfs/dbraw/zinc/89/15/80/1413891580.db2.gz ZYIQEKAPDMGFPK-RBUKOAKNSA-N 2 0 331.504 3.012 10 0 EGAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001700460390 1414056989 /nfs/dbraw/zinc/05/69/89/1414056989.db2.gz JDJHDKUTFZBYQL-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001700475712 1414101859 /nfs/dbraw/zinc/10/18/59/1414101859.db2.gz FWAZRLKHSXDUGO-QUCCMNQESA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001700502563 1414150767 /nfs/dbraw/zinc/15/07/67/1414150767.db2.gz VFOYOCHCQQPYGH-SFHVURJKSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001700514882 1414165488 /nfs/dbraw/zinc/16/54/88/1414165488.db2.gz YMNKBXYRNPJXRD-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001700615397 1414280625 /nfs/dbraw/zinc/28/06/25/1414280625.db2.gz JBGDDMJXXICFEB-IPMKNSEASA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CCC[NH2+]CCC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700672409 1414328532 /nfs/dbraw/zinc/32/85/32/1414328532.db2.gz PEQSFVLVZFVDFE-AOIWGVFYSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CC(C)(C)C1 ZINC001700714580 1414373272 /nfs/dbraw/zinc/37/32/72/1414373272.db2.gz KEMXZJMCJSTXQY-NQIIRXRSSA-N 2 0 349.563 3.029 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H]1C ZINC001700829021 1414483987 /nfs/dbraw/zinc/48/39/87/1414483987.db2.gz NMVGNTUVGPDGGR-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H]1C ZINC001700860235 1414508787 /nfs/dbraw/zinc/50/87/87/1414508787.db2.gz SDTFYPTZSJCPEP-AJWBFMOXSA-N 2 0 343.515 3.297 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C)C(C)C ZINC001700975295 1414608825 /nfs/dbraw/zinc/60/88/25/1414608825.db2.gz RPHMQUILYGRCCN-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CCCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001701009812 1414668451 /nfs/dbraw/zinc/66/84/51/1414668451.db2.gz OIMYVZQQVWPOJE-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001732721217 1428926258 /nfs/dbraw/zinc/92/62/58/1428926258.db2.gz VZHTXYIOZWKHAV-HBFSDRIKSA-N 2 0 345.531 3.018 10 0 EGAERP CCc1ccc(C[NH2+]CCN(CC)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001732774544 1428961947 /nfs/dbraw/zinc/96/19/47/1428961947.db2.gz HGFFQLMBTGOUOY-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001707062225 1417177604 /nfs/dbraw/zinc/17/76/04/1417177604.db2.gz LTWHBSYVNYPAFF-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCC[NH+](CC3CCC3)[C@H]2C1(C)C ZINC001707187976 1417236853 /nfs/dbraw/zinc/23/68/53/1417236853.db2.gz QTEUGZSVYORFDW-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001707246730 1417263937 /nfs/dbraw/zinc/26/39/37/1417263937.db2.gz NJGRVMSFRKMCLL-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001707263171 1417272078 /nfs/dbraw/zinc/27/20/78/1417272078.db2.gz FRUCHFMNHQBDMO-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]Cc1ccccc1F ZINC001707436360 1417341107 /nfs/dbraw/zinc/34/11/07/1417341107.db2.gz OVEHUZGDDSOBTC-LPHOPBHVSA-N 2 0 349.494 3.025 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1C ZINC001707458926 1417360819 /nfs/dbraw/zinc/36/08/19/1417360819.db2.gz NQZNDXKCWGCRLG-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCCC(C)(C)C ZINC001712990941 1417542661 /nfs/dbraw/zinc/54/26/61/1417542661.db2.gz KJCGMRVJNVDNON-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1cccc(C)c1 ZINC001713013409 1417567922 /nfs/dbraw/zinc/56/79/22/1417567922.db2.gz WVRGMONDWPKBMA-NLWGTHIKSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[NH+](CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001713048526 1417600396 /nfs/dbraw/zinc/60/03/96/1417600396.db2.gz BNKPBHBHJXECGF-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001713053191 1417605291 /nfs/dbraw/zinc/60/52/91/1417605291.db2.gz QDHNSTCBCJLVCU-UHDDOPSISA-N 2 0 347.547 3.282 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713055794 1417608790 /nfs/dbraw/zinc/60/87/90/1417608790.db2.gz DIICJZJTOUOEMK-VOTSOKGWSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001713113307 1417676348 /nfs/dbraw/zinc/67/63/48/1417676348.db2.gz YHUKEOWTGRECJN-PMACEKPBSA-N 2 0 347.547 3.092 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713130353 1417702262 /nfs/dbraw/zinc/70/22/62/1417702262.db2.gz HNYNKBQQKLGZJD-CEXWTWQISA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713150241 1417730849 /nfs/dbraw/zinc/73/08/49/1417730849.db2.gz PPSGLGLOQXLNSJ-WYNBNGFRSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)c1 ZINC001713175883 1417748937 /nfs/dbraw/zinc/74/89/37/1417748937.db2.gz SAUFMMIJDPPQFV-MXVIHJGJSA-N 2 0 343.515 3.179 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001713207784 1417778073 /nfs/dbraw/zinc/77/80/73/1417778073.db2.gz QMWPLJISEZDYKX-BGYRXZFFSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713231303 1417817551 /nfs/dbraw/zinc/81/75/51/1417817551.db2.gz ODIHWZLXHULVMN-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001713255808 1417855571 /nfs/dbraw/zinc/85/55/71/1417855571.db2.gz SLSGLERGVSVSKA-GBESFXJTSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CC2)ccc2c[nH+]cn21 ZINC001713263754 1417871580 /nfs/dbraw/zinc/87/15/80/1417871580.db2.gz GVOTVFAYUFPADK-QGZVFWFLSA-N 2 0 340.471 3.027 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001713266035 1417874228 /nfs/dbraw/zinc/87/42/28/1417874228.db2.gz FCFIMQMCIVTYHQ-ZEVQVBBLSA-N 2 0 337.552 3.291 10 0 EGAERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001713288218 1417915356 /nfs/dbraw/zinc/91/53/56/1417915356.db2.gz KACWVUADVAWQPC-SOAGJPPSSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001713320455 1417945183 /nfs/dbraw/zinc/94/51/83/1417945183.db2.gz ACPNPPCTOZJIQC-MJGOQNOKSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713356746 1417973209 /nfs/dbraw/zinc/97/32/09/1417973209.db2.gz KLYOYPLXGRLUDP-HKVCONOFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713375346 1417985675 /nfs/dbraw/zinc/98/56/75/1417985675.db2.gz PHDLVUTVQFGPOP-SJORKVTESA-N 2 0 337.552 3.312 10 0 EGAERP C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713401961 1418024917 /nfs/dbraw/zinc/02/49/17/1418024917.db2.gz WOEPLRZGFHBIKK-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733079632 1429233411 /nfs/dbraw/zinc/23/34/11/1429233411.db2.gz OCALNVOPYVFNIF-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001733079549 1429233672 /nfs/dbraw/zinc/23/36/72/1429233672.db2.gz NSCMOXOZDDBEJI-INPAECQJSA-N 2 0 349.563 3.339 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCCC1 ZINC001713470122 1418136525 /nfs/dbraw/zinc/13/65/25/1418136525.db2.gz MPRAVWBGUDWORZ-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001713506700 1418230171 /nfs/dbraw/zinc/23/01/71/1418230171.db2.gz YLFYXGKCXVQAOZ-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CCCC1 ZINC001713549722 1418327604 /nfs/dbraw/zinc/32/76/04/1418327604.db2.gz AUBONBBVKPGAJP-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001713558457 1418353021 /nfs/dbraw/zinc/35/30/21/1418353021.db2.gz KKSXEHZXRVQDNQ-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)CCC[NH+]1CCCCC1 ZINC001713664886 1418422023 /nfs/dbraw/zinc/42/20/23/1418422023.db2.gz KIGILOJCWHBSAC-UHFFFAOYSA-N 2 0 337.552 3.271 10 0 EGAERP CCCc1ccc(C[NH2+]CCN(C)C(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001713666848 1418422309 /nfs/dbraw/zinc/42/23/09/1418422309.db2.gz FTMSQHAOZUIDJE-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)(C(=O)NC[C@@H]([NH2+]CCCF)c1ccccc1)[NH+]1CCCCC1 ZINC001713701418 1418458925 /nfs/dbraw/zinc/45/89/25/1418458925.db2.gz AAEUHEDNUKCFMY-GOSISDBHSA-N 2 0 349.494 3.058 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001713711985 1418471822 /nfs/dbraw/zinc/47/18/22/1418471822.db2.gz YOVLRYVCRRAYLX-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1ccccc1)C1CC1 ZINC001713775412 1418591207 /nfs/dbraw/zinc/59/12/07/1418591207.db2.gz ILDHEFAFXAJSLG-FQEVSTJZSA-N 2 0 343.515 3.032 10 0 EGAERP CCN(C(=O)[C@@H](F)C[NH+](CC)CC)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714040580 1418830272 /nfs/dbraw/zinc/83/02/72/1418830272.db2.gz RJKZSNXJUUWPLX-SJORKVTESA-N 2 0 343.531 3.025 10 0 EGAERP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001714041320 1418831583 /nfs/dbraw/zinc/83/15/83/1418831583.db2.gz WVYGLNMAOADXLW-HXUWFJFHSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](c2ccccc2)N(C)C)C1 ZINC001714048140 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ZINC001715757275 1420328509 /nfs/dbraw/zinc/32/85/09/1420328509.db2.gz ZNDQSRODIUBWMC-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001715764628 1420332052 /nfs/dbraw/zinc/33/20/52/1420332052.db2.gz YKCSNUAUBOZISG-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001715828642 1420358707 /nfs/dbraw/zinc/35/87/07/1420358707.db2.gz XSGWHQVRKFBCTC-HLIGJIKWSA-N 2 0 347.478 3.023 10 0 EGAERP CC[C@H](C(=O)N(C)CC[N@H+](C)[C@H]1CCc2ccccc21)[NH+](CC)CC ZINC001715960588 1420427557 /nfs/dbraw/zinc/42/75/57/1420427557.db2.gz WIHOZXIBGSXKLM-UXHICEINSA-N 2 0 345.531 3.185 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)C[NH2+][C@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001715982001 1420440703 /nfs/dbraw/zinc/44/07/03/1420440703.db2.gz AWZSCYLXEXDEFF-XOBRGWDASA-N 2 0 348.450 3.038 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]CC2CCC(C)CC2)ccc2c[nH+]cn21 ZINC001715982452 1420441323 /nfs/dbraw/zinc/44/13/23/1420441323.db2.gz HDXHDXHANVKRFM-CKDBGZEDSA-N 2 0 342.487 3.177 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716027047 1420484003 /nfs/dbraw/zinc/48/40/03/1420484003.db2.gz LFVBRZIWILYBNK-DKFQHHCZSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716034535 1420493721 /nfs/dbraw/zinc/49/37/21/1420493721.db2.gz KNZCUSHKDCCLBR-ROUUACIJSA-N 2 0 345.531 3.367 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2CCC2=CCCCC2)C1 ZINC001716050354 1420514226 /nfs/dbraw/zinc/51/42/26/1420514226.db2.gz HUSIUYDCFVLIPI-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001716239825 1420577815 /nfs/dbraw/zinc/57/78/15/1420577815.db2.gz QYEXJHOKKAHSEH-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001716351019 1420614863 /nfs/dbraw/zinc/61/48/63/1420614863.db2.gz RKAZXOIJWGRTAZ-XJDXJNMNSA-N 2 0 343.515 3.020 10 0 EGAERP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001716412651 1420641975 /nfs/dbraw/zinc/64/19/75/1420641975.db2.gz KKXDMKOZTTVWTJ-MRXNPFEDSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001716492849 1420714893 /nfs/dbraw/zinc/71/48/93/1420714893.db2.gz XITXIXSWDOJDMR-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001733272767 1429435236 /nfs/dbraw/zinc/43/52/36/1429435236.db2.gz UKYKAMKIPMDCLB-YQQQUEKLSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001733272444 1429435244 /nfs/dbraw/zinc/43/52/44/1429435244.db2.gz KDKNWTMGWRNHRE-XUBOLADHSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@]1(C)CCC[NH+](CC2CCC2)C1 ZINC001716900782 1421031532 /nfs/dbraw/zinc/03/15/32/1421031532.db2.gz UUBYNPAZMGSVPC-TZIWHRDSSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCCC2CCCC2)C1 ZINC001716902069 1421034993 /nfs/dbraw/zinc/03/49/93/1421034993.db2.gz WKRNTJKAUNIPBD-NRFANRHFSA-N 2 0 349.563 3.271 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001716953227 1421049190 /nfs/dbraw/zinc/04/91/90/1421049190.db2.gz WOIXRRXYJICJPF-PRPIBZDOSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@@H]([NH2+]CC[C@H](C)F)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001717114838 1421118852 /nfs/dbraw/zinc/11/88/52/1421118852.db2.gz FJEXYRVEEIVAFG-JKSUJKDBSA-N 2 0 349.494 3.043 10 0 EGAERP CC[C@@H](C(=O)NCc1cccc2c1CC[N@@H+](C(C)C)C2)[NH+](CC)CC ZINC001717143836 1421136845 /nfs/dbraw/zinc/13/68/45/1421136845.db2.gz YPNJPBUTOWHIPD-FQEVSTJZSA-N 2 0 345.531 3.190 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]C/C=C\Cl)CC1)[NH+](CC)CC ZINC001717240130 1421208440 /nfs/dbraw/zinc/20/84/40/1421208440.db2.gz LLYVUTVANLNFTL-HMWXGYMHSA-N 2 0 343.943 3.220 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]C/C=C/Cl)CC1)[NH+](CC)CC ZINC001717240132 1421208451 /nfs/dbraw/zinc/20/84/51/1421208451.db2.gz LLYVUTVANLNFTL-YHVDPYDOSA-N 2 0 343.943 3.220 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC1(C)C ZINC001717309912 1421252808 /nfs/dbraw/zinc/25/28/08/1421252808.db2.gz WNMCUNXWMJYZEO-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@@H]1C ZINC001717332445 1421268239 /nfs/dbraw/zinc/26/82/39/1421268239.db2.gz UQJJETSHZLRYSF-IRXDYDNUSA-N 2 0 337.552 3.265 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001717369569 1421307092 /nfs/dbraw/zinc/30/70/92/1421307092.db2.gz OFRPJZQMZQBHLH-ZBWOGFRMSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001717369566 1421307302 /nfs/dbraw/zinc/30/73/02/1421307302.db2.gz OFRPJZQMZQBHLH-RLWBPELLSA-N 2 0 349.563 3.386 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC1)c1ccccc1 ZINC001717374307 1421314957 /nfs/dbraw/zinc/31/49/57/1421314957.db2.gz NSGLSXBWTVGLPN-UXHICEINSA-N 2 0 343.515 3.012 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH+](C)CC1CC1)c1ccccc1 ZINC001717374309 1421315405 /nfs/dbraw/zinc/31/54/05/1421315405.db2.gz NSGLSXBWTVGLPN-WOJBJXKFSA-N 2 0 343.515 3.012 10 0 EGAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717384245 1421325285 /nfs/dbraw/zinc/32/52/85/1421325285.db2.gz DBRWDBZKBCBHHJ-AFMYVXGZSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001717424555 1421353771 /nfs/dbraw/zinc/35/37/71/1421353771.db2.gz HMPNYGXJQBEAOO-CVEARBPZSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001717446994 1421376503 /nfs/dbraw/zinc/37/65/03/1421376503.db2.gz LEXJKVBQVLGDQD-SOAGJPPSSA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001733292454 1429472484 /nfs/dbraw/zinc/47/24/84/1429472484.db2.gz JCKMMKFUWDBGHD-OAQYLSRUSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001717458892 1421388405 /nfs/dbraw/zinc/38/84/05/1421388405.db2.gz IURPQMWQZOUFEC-QZTJIDSGSA-N 2 0 337.552 3.147 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[N@H+]3CCC)C2)C1 ZINC001733296080 1429478588 /nfs/dbraw/zinc/47/85/88/1429478588.db2.gz PDOAEOQMSFAZDU-NGQOVYEWSA-N 2 0 347.547 3.142 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001717490551 1421428899 /nfs/dbraw/zinc/42/88/99/1421428899.db2.gz PCTLBAPSUPKEMP-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717552845 1421490068 /nfs/dbraw/zinc/49/00/68/1421490068.db2.gz MPVFNUMHMNJNPU-IYKSTZQJSA-N 2 0 340.471 3.049 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)CC1(C)C ZINC001717582353 1421508321 /nfs/dbraw/zinc/50/83/21/1421508321.db2.gz HHCXXFWOZFOYEX-RTBURBONSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)C[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717583120 1421509545 /nfs/dbraw/zinc/50/95/45/1421509545.db2.gz XBTSNYSJYYIWPX-KRWDZBQOSA-N 2 0 337.552 3.122 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001717624184 1421533206 /nfs/dbraw/zinc/53/32/06/1421533206.db2.gz PKHOFYHULFWLQZ-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[C@H]4CCCC[NH+]43)C2)C1 ZINC001717628635 1421537957 /nfs/dbraw/zinc/53/79/57/1421537957.db2.gz CFRPFJWAVITCEG-RTBURBONSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)(C)CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001717632460 1421542231 /nfs/dbraw/zinc/54/22/31/1421542231.db2.gz KSWSFDINICMPQJ-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001717652428 1421551661 /nfs/dbraw/zinc/55/16/61/1421551661.db2.gz MIAXCPHVDKNHNV-MXVIHJGJSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668046 1421558381 /nfs/dbraw/zinc/55/83/81/1421558381.db2.gz RZBYASZCYLXEDA-IEBWSBKVSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001717671320 1421559730 /nfs/dbraw/zinc/55/97/30/1421559730.db2.gz NDBGQMHBSUIACO-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001717731943 1421597845 /nfs/dbraw/zinc/59/78/45/1421597845.db2.gz UHQUASDSOUHFQQ-VQTJNVASSA-N 2 0 347.547 3.186 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001717738460 1421602592 /nfs/dbraw/zinc/60/25/92/1421602592.db2.gz KBWXTZYSHOBOGB-QZTJIDSGSA-N 2 0 333.520 3.143 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2ccc(C)cc2)C1 ZINC001717738718 1421602905 /nfs/dbraw/zinc/60/29/05/1421602905.db2.gz QCAZHUNVQTYNCR-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1c(C(=O)N2C[C@H]([NH2+]CCC(C)C)C(C)(C)C2)ccc2c[nH+]cn21 ZINC001717897118 1421694747 /nfs/dbraw/zinc/69/47/47/1421694747.db2.gz POMDUFKJVLUKIZ-SFHVURJKSA-N 2 0 342.487 3.129 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001717905276 1421701252 /nfs/dbraw/zinc/70/12/52/1421701252.db2.gz OTYWDAFUEUVJSR-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001717959769 1421731458 /nfs/dbraw/zinc/73/14/58/1421731458.db2.gz RFZFGHCJYGRWHW-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001717961415 1421733123 /nfs/dbraw/zinc/73/31/23/1421733123.db2.gz JLLGYHSMXNJIGI-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001717964885 1421736672 /nfs/dbraw/zinc/73/66/72/1421736672.db2.gz GHLHOLQUWIATMR-QZTJIDSGSA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001717983061 1421755074 /nfs/dbraw/zinc/75/50/74/1421755074.db2.gz VASLBMIGBCBVOS-YQVWRLOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001717985058 1421757496 /nfs/dbraw/zinc/75/74/96/1421757496.db2.gz WMJJNOMRSRLTRS-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001718003091 1421769519 /nfs/dbraw/zinc/76/95/19/1421769519.db2.gz CJRHVLOHGWKETJ-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001718003844 1421770363 /nfs/dbraw/zinc/77/03/63/1421770363.db2.gz SPSBBTZZZNBTDC-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)c(F)c1 ZINC001718034740 1421786517 /nfs/dbraw/zinc/78/65/17/1421786517.db2.gz QHAFEVVQBGZNIC-UHFFFAOYSA-N 2 0 349.494 3.204 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001733336188 1429520759 /nfs/dbraw/zinc/52/07/59/1429520759.db2.gz RKNQRXPNKXQNCY-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001733359677 1429543036 /nfs/dbraw/zinc/54/30/36/1429543036.db2.gz KALWFUUKVYYELH-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001733360746 1429544390 /nfs/dbraw/zinc/54/43/90/1429544390.db2.gz YVDZNDDIOATYQT-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001733393313 1429585357 /nfs/dbraw/zinc/58/53/57/1429585357.db2.gz RYYMUWGLSLCPTL-OAQYLSRUSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001733467203 1429701423 /nfs/dbraw/zinc/70/14/23/1429701423.db2.gz DINZQFHBLKKGID-FPOVZHCZSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001722950452 1424273840 /nfs/dbraw/zinc/27/38/40/1424273840.db2.gz ADROTMXAGOCXCP-RTBURBONSA-N 2 0 337.552 3.173 10 0 EGAERP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001723051462 1424293524 /nfs/dbraw/zinc/29/35/24/1424293524.db2.gz FUNQCOMVSHJKKX-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001723544210 1424458431 /nfs/dbraw/zinc/45/84/31/1424458431.db2.gz DBKOSJLASQSYNK-QGZVFWFLSA-N 2 0 343.515 3.169 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001723568490 1424467760 /nfs/dbraw/zinc/46/77/60/1424467760.db2.gz ITWYPQXVMRPTQY-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001723609683 1424492080 /nfs/dbraw/zinc/49/20/80/1424492080.db2.gz QDTDXSRRJPSGEZ-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)C[C@H](C)C[NH+]1CCC2(CCN(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001723699353 1424536889 /nfs/dbraw/zinc/53/68/89/1424536889.db2.gz KADCTLHDTPUVJU-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@]2(CC[N@H+](CCC3CCCCCC3)C2)C1 ZINC001723744228 1424556903 /nfs/dbraw/zinc/55/69/03/1424556903.db2.gz NGMLZKYCMYUOTG-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCC[NH+](C)C ZINC001723861533 1424589694 /nfs/dbraw/zinc/58/96/94/1424589694.db2.gz PWOPRBRLWXCNOU-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001723963706 1424612400 /nfs/dbraw/zinc/61/24/00/1424612400.db2.gz LNAOFIWVXJKAOC-YADGQWAMSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001724025799 1424633227 /nfs/dbraw/zinc/63/32/27/1424633227.db2.gz JLDWOZIDDCABOW-IAGOWNOFSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001724125994 1424677489 /nfs/dbraw/zinc/67/74/89/1424677489.db2.gz NKHRJEPJNCVEJZ-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001724180509 1424715408 /nfs/dbraw/zinc/71/54/08/1424715408.db2.gz WXQWOBKQUFKNHC-OAQYLSRUSA-N 2 0 345.531 3.232 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@](C)(C[NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001724219275 1424739781 /nfs/dbraw/zinc/73/97/81/1424739781.db2.gz QACNMSJHGIWLIN-QKNQBKEWSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001724303479 1424787224 /nfs/dbraw/zinc/78/72/24/1424787224.db2.gz XUVBLQMCKNFVRD-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CCC[C@](C)(CNC(=O)CC[NH+](C)C)C2)c1 ZINC001724335449 1424831515 /nfs/dbraw/zinc/83/15/15/1424831515.db2.gz ZVMIIUPJRQGVMJ-GHTZIAJQSA-N 2 0 345.531 3.226 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001724532029 1424896941 /nfs/dbraw/zinc/89/69/41/1424896941.db2.gz MYBDZYLLXOPAKK-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001724647411 1425003505 /nfs/dbraw/zinc/00/35/05/1425003505.db2.gz GCHVDCSDPJFLMW-RTBURBONSA-N 2 0 349.563 3.362 10 0 EGAERP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001724745415 1425114020 /nfs/dbraw/zinc/11/40/20/1425114020.db2.gz ICGJTUVJGSRDRD-YLJYHZDGSA-N 2 0 345.531 3.484 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001724750733 1425120479 /nfs/dbraw/zinc/12/04/79/1425120479.db2.gz FABADIGLULDRTB-UAPYVXQJSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001724751929 1425122522 /nfs/dbraw/zinc/12/25/22/1425122522.db2.gz PSPGMMWKJCHRGN-FNMLWVPJSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CC[NH+]([C@@H](C)c1ccccc1)CC2 ZINC001724760331 1425130934 /nfs/dbraw/zinc/13/09/34/1425130934.db2.gz WKNJGSZKBUILGV-SFHVURJKSA-N 2 0 343.515 3.012 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001724884334 1425266433 /nfs/dbraw/zinc/26/64/33/1425266433.db2.gz MEVIVQGBFAWTPM-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)Cc2[nH]cnc2C)CC1 ZINC001724890812 1425277345 /nfs/dbraw/zinc/27/73/45/1425277345.db2.gz GUUNJADZLVRZDB-BQYQJAHWSA-N 2 0 346.519 3.368 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001724890969 1425278048 /nfs/dbraw/zinc/27/80/48/1425278048.db2.gz IMXVEQNINFBDNZ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001724901944 1425295993 /nfs/dbraw/zinc/29/59/93/1425295993.db2.gz ZPBQBFICYMHQSO-UYAOXDASSA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H](C)[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001724946544 1425331869 /nfs/dbraw/zinc/33/18/69/1425331869.db2.gz MQVQUMHHSBEWRC-XLIONFOSSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001724980229 1425381779 /nfs/dbraw/zinc/38/17/79/1425381779.db2.gz TYILAXNOVWXEBI-QHWWWDCYSA-N 2 0 349.563 3.290 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C)cc1 ZINC001725004008 1425416766 /nfs/dbraw/zinc/41/67/66/1425416766.db2.gz UKLWOCZXRTWXBS-UYAOXDASSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725060435 1425500455 /nfs/dbraw/zinc/50/04/55/1425500455.db2.gz UEHSNNSPYKBVQC-FQEVSTJZSA-N 2 0 345.531 3.331 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725112290 1425568728 /nfs/dbraw/zinc/56/87/28/1425568728.db2.gz BXWXSQIWXPXDAE-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001725118293 1425578693 /nfs/dbraw/zinc/57/86/93/1425578693.db2.gz OQSLAXPIQFROAQ-RBUKOAKNSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001725159157 1425654838 /nfs/dbraw/zinc/65/48/38/1425654838.db2.gz HACLOTQBYCKYGR-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725174307 1425687050 /nfs/dbraw/zinc/68/70/50/1425687050.db2.gz QCLGFLGUJZIACZ-XHPSBEMXSA-N 2 0 328.460 3.049 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001725216088 1425781258 /nfs/dbraw/zinc/78/12/58/1425781258.db2.gz ZXDFPWOAXIIUJS-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCC1=CCCCC1 ZINC001725243028 1425854043 /nfs/dbraw/zinc/85/40/43/1425854043.db2.gz RCXVKUNGOBCYBD-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001725292167 1425936553 /nfs/dbraw/zinc/93/65/53/1425936553.db2.gz WJJCOVDDOMDPDQ-QGZVFWFLSA-N 2 0 339.568 3.227 10 0 EGAERP CC1(C)C[N@H+](CC2CCCCC2)C[C@H]1NC(=O)CC[NH+]1CCCCC1 ZINC001725296827 1425945496 /nfs/dbraw/zinc/94/54/96/1425945496.db2.gz INUAPOZJQQLHDB-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001725366225 1426016897 /nfs/dbraw/zinc/01/68/97/1426016897.db2.gz YMOZHAJYGJBUCX-BJLQDIEVSA-N 2 0 347.547 3.234 10 0 EGAERP C[C@@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725395170 1426041348 /nfs/dbraw/zinc/04/13/48/1426041348.db2.gz POLALPNVZUBTDT-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725451930 1426117350 /nfs/dbraw/zinc/11/73/50/1426117350.db2.gz JUUODAOYHAUZLE-AZUAARDMSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725451957 1426117626 /nfs/dbraw/zinc/11/76/26/1426117626.db2.gz GYVITCMESDRJSJ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001725500849 1426180309 /nfs/dbraw/zinc/18/03/09/1426180309.db2.gz FYZLLTJLXJZWDH-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001725510118 1426196500 /nfs/dbraw/zinc/19/65/00/1426196500.db2.gz FKTOKJKINXFINT-KRWDZBQOSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001725615493 1426277357 /nfs/dbraw/zinc/27/73/57/1426277357.db2.gz BDEGMVPNDGXAHJ-FXAWDEMLSA-N 2 0 347.547 3.330 10 0 EGAERP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1)CC(C)(C)C ZINC001725676181 1426362265 /nfs/dbraw/zinc/36/22/65/1426362265.db2.gz LZNXIAKMWIQTHB-MRXNPFEDSA-N 2 0 339.568 3.227 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)[C@H]2CCC[NH+]2C)C(C)C)c1 ZINC001725726308 1426386751 /nfs/dbraw/zinc/38/67/51/1426386751.db2.gz SHQPBIPWOMHECU-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001725743489 1426420081 /nfs/dbraw/zinc/42/00/81/1426420081.db2.gz ZDMSTVUASCJWTK-MOPGFXCFSA-N 2 0 345.531 3.182 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001725764618 1426446953 /nfs/dbraw/zinc/44/69/53/1426446953.db2.gz YOWGSHIICWHUBK-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CCC2CCCC2)CC1)[NH+](C)C ZINC001725770598 1426454727 /nfs/dbraw/zinc/45/47/27/1426454727.db2.gz FEECKLDTRWGOHE-LPHOPBHVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001725798804 1426483230 /nfs/dbraw/zinc/48/32/30/1426483230.db2.gz ZEGNPYWZXNFFQC-CALCHBBNSA-N 2 0 347.547 3.020 10 0 EGAERP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001725831096 1426510205 /nfs/dbraw/zinc/51/02/05/1426510205.db2.gz XIQVDCGIKHMZEF-UYAOXDASSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001725831482 1426510309 /nfs/dbraw/zinc/51/03/09/1426510309.db2.gz DUQNVVIMHGLXJZ-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCCC(C)(C)C ZINC001731247291 1427201624 /nfs/dbraw/zinc/20/16/24/1427201624.db2.gz CAPALAWNEVJUHB-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001731294497 1427236819 /nfs/dbraw/zinc/23/68/19/1427236819.db2.gz RGNXGLOUPDONIH-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC2CCC2)CC1 ZINC001731363821 1427297667 /nfs/dbraw/zinc/29/76/67/1427297667.db2.gz OTCYWGIMWWHEDS-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731433215 1427414984 /nfs/dbraw/zinc/41/49/84/1427414984.db2.gz SZTHSBKAOLUIJR-YQHFQFMOSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001731485787 1427460413 /nfs/dbraw/zinc/46/04/13/1427460413.db2.gz ZDPWNNJFWRFDJW-HSALFYBXSA-N 2 0 345.531 3.161 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCC[C@H](CNC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001731507608 1427495118 /nfs/dbraw/zinc/49/51/18/1427495118.db2.gz VVEKSFCQSSIFFR-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CC1CCC2(CC2)CC1 ZINC001731541055 1427548455 /nfs/dbraw/zinc/54/84/55/1427548455.db2.gz GITWAYXSNVHSTJ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001731544553 1427560596 /nfs/dbraw/zinc/56/05/96/1427560596.db2.gz WFFCNFYARQTHPK-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001731559727 1427593192 /nfs/dbraw/zinc/59/31/92/1427593192.db2.gz RGWSKXFFVBNMCR-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCC(C)(C)C ZINC001731599865 1427642748 /nfs/dbraw/zinc/64/27/48/1427642748.db2.gz GEDJKSCNQOCVIB-OAHLLOKOSA-N 2 0 325.541 3.170 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)c(C)c1 ZINC001731621821 1427672204 /nfs/dbraw/zinc/67/22/04/1427672204.db2.gz HPPCKARFHVGMGM-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731659241 1427712224 /nfs/dbraw/zinc/71/22/24/1427712224.db2.gz HSFZZXAIYJNNMP-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001731688282 1427736403 /nfs/dbraw/zinc/73/64/03/1427736403.db2.gz XNXZOPZMRUNSNJ-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001731704664 1427757351 /nfs/dbraw/zinc/75/73/51/1427757351.db2.gz UJOSOBLBBTUNPW-PMACEKPBSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]([NH+](C)CCCC(C)(C)C)C2)C1 ZINC001731710163 1427765803 /nfs/dbraw/zinc/76/58/03/1427765803.db2.gz DRVVOBYGQVNNIC-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCCC2)C1 ZINC001731756496 1427857559 /nfs/dbraw/zinc/85/75/59/1427857559.db2.gz APVBUAQOXKXSDL-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CC2(CCC2)C1 ZINC001731773487 1427887961 /nfs/dbraw/zinc/88/79/61/1427887961.db2.gz ZGDYWOQATJIYOS-LJQANCHMSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@@H](C)c1cccc2ccccc21 ZINC001731810184 1427990366 /nfs/dbraw/zinc/99/03/66/1427990366.db2.gz VSYCMDOXPVUVIL-KRWDZBQOSA-N 2 0 341.499 3.291 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001731832363 1428043087 /nfs/dbraw/zinc/04/30/87/1428043087.db2.gz BFWNJQGWRXBEPF-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001731842344 1428065104 /nfs/dbraw/zinc/06/51/04/1428065104.db2.gz PDDMFJAGFLSHKN-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001731852067 1428082108 /nfs/dbraw/zinc/08/21/08/1428082108.db2.gz BDRNFBDYLNUMCZ-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC[N@H+](CCC2=CCCCC2)C2CC2)CC1 ZINC001731882657 1428154057 /nfs/dbraw/zinc/15/40/57/1428154057.db2.gz QLVLXVLRZGUZJW-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731947418 1428179197 /nfs/dbraw/zinc/17/91/97/1428179197.db2.gz YFNFNALPIZAIGI-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001731996471 1428205556 /nfs/dbraw/zinc/20/55/56/1428205556.db2.gz LSKQHFFHPLPHMI-MBOZVWFJSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCC1=CCCCC1 ZINC001733603337 1429811034 /nfs/dbraw/zinc/81/10/34/1429811034.db2.gz SYSZIEAEBJVVDX-PMACEKPBSA-N 2 0 347.547 3.284 10 0 EGAERP CCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733605534 1429817510 /nfs/dbraw/zinc/81/75/10/1429817510.db2.gz DJXIBZHKDPHZQQ-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733657825 1429849561 /nfs/dbraw/zinc/84/95/61/1429849561.db2.gz GKZIFKARTQHGKW-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@H](CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733662533 1429854962 /nfs/dbraw/zinc/85/49/62/1429854962.db2.gz PQDLFHMCEBAOHG-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001733665021 1429858898 /nfs/dbraw/zinc/85/88/98/1429858898.db2.gz HMXHXRVPWMETSS-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733688311 1429904277 /nfs/dbraw/zinc/90/42/77/1429904277.db2.gz CEBKVDFDWFMSRP-QOPIIRDPSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC3(C2)CC[NH+](CCCC(C)(C)C)CC3)CC1 ZINC001733696303 1429914550 /nfs/dbraw/zinc/91/45/50/1429914550.db2.gz HWLPXIXQCQFDKM-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733782791 1430050567 /nfs/dbraw/zinc/05/05/67/1430050567.db2.gz PHGSANKBVDWJIH-PMACEKPBSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733974235 1437774211 /nfs/dbraw/zinc/77/42/11/1437774211.db2.gz UDALGOAMZTXZEG-SJORKVTESA-N 2 0 325.541 3.170 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001734013633 1437804834 /nfs/dbraw/zinc/80/48/34/1437804834.db2.gz QONLZRZOTNXVPT-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)[C@@H](C)c1ccccc1 ZINC001734044312 1437832581 /nfs/dbraw/zinc/83/25/81/1437832581.db2.gz GWFTXISRKQXPLW-ROUUACIJSA-N 2 0 343.515 3.060 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1(C[NH2+]C/C=C\Cl)CCCCC1 ZINC001734092346 1437876553 /nfs/dbraw/zinc/87/65/53/1437876553.db2.gz KEIWJOJOAYNFKF-XFFZJAGNSA-N 2 0 341.927 3.024 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001734095667 1437879720 /nfs/dbraw/zinc/87/97/20/1437879720.db2.gz ALHMQRSAEPTZJO-RTBURBONSA-N 2 0 337.552 3.173 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001734103269 1437888553 /nfs/dbraw/zinc/88/85/53/1437888553.db2.gz IGNWRQFRIFLMOF-RRFGBZISSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001734197164 1437938274 /nfs/dbraw/zinc/93/82/74/1437938274.db2.gz XFBBPRWPXDFOJY-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262029 1437979382 /nfs/dbraw/zinc/97/93/82/1437979382.db2.gz HQUCFFFVSHHCHP-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H]1[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001734394655 1438080242 /nfs/dbraw/zinc/08/02/42/1438080242.db2.gz LJNAHDJSWWXHSN-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001734456711 1438114057 /nfs/dbraw/zinc/11/40/57/1438114057.db2.gz IAWQVQWIQLMXKN-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001734462777 1438119537 /nfs/dbraw/zinc/11/95/37/1438119537.db2.gz UZMFYXTZXFAMOV-SJLPKXTDSA-N 2 0 337.552 3.265 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001734486981 1438129292 /nfs/dbraw/zinc/12/92/92/1438129292.db2.gz KVZUVHFWCLONHB-PMACEKPBSA-N 2 0 347.547 3.237 10 0 EGAERP CC(C)(C)CCC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001734603477 1438184469 /nfs/dbraw/zinc/18/44/69/1438184469.db2.gz FLDXFTVYKMLYGP-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP COc1ccc(CC[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1O ZINC000368440423 168356072 /nfs/dbraw/zinc/35/60/72/168356072.db2.gz CXQVCJGBOCAYPS-FAEJEUNOSA-N 2 0 332.488 3.328 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]2CN(CCOc3c(Cl)cccc3Cl)C[C@@H]21 ZINC000230046909 242224487 /nfs/dbraw/zinc/22/44/87/242224487.db2.gz VUBRVOUZCJYTCM-TYNCELHUSA-N 2 0 329.271 3.431 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH+](C)CC1CC[NH2+]CC1 ZINC000246259914 243217002 /nfs/dbraw/zinc/21/70/02/243217002.db2.gz KXVZHFBGHMPEJY-WGMWDUQUSA-N 3 0 329.532 3.074 10 0 EGAERP Cc1ncc(C[NH+]2CCC([C@H]3CC[N@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012439180 211381930 /nfs/dbraw/zinc/38/19/30/211381930.db2.gz BJZMCKQEYWPZAJ-IBGZPJMESA-N 2 0 330.520 3.365 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC1CC[NH+](C2CC2)CC1 ZINC000268746463 252197396 /nfs/dbraw/zinc/19/73/96/252197396.db2.gz HUBNJVKMOBLGEZ-LAUBAEHRSA-N 3 0 327.516 3.113 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000246832272 141037405 /nfs/dbraw/zinc/03/74/05/141037405.db2.gz ALSAMGSZCPNMGE-VQTJNVASSA-N 2 0 333.495 3.079 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOCc1ccccc1 ZINC000346188066 141176172 /nfs/dbraw/zinc/17/61/72/141176172.db2.gz UECKXCYRBHQHTQ-UHFFFAOYSA-N 2 0 336.439 3.224 10 0 EGAERP COC(C)(C)CC[N@H+](C)[C@H]1CCC[NH+](CCC(C)(C)OC)CC1 ZINC000346440131 141194809 /nfs/dbraw/zinc/19/48/09/141194809.db2.gz WUMOQEWCJRKWPA-KRWDZBQOSA-N 2 0 328.541 3.403 10 0 EGAERP CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)CC[C@H]1CCCC[N@@H+]1C ZINC000352930442 141270806 /nfs/dbraw/zinc/27/08/06/141270806.db2.gz KKTKPCOIWNNIBY-HXUWFJFHSA-N 2 0 345.531 3.361 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000354606003 141313705 /nfs/dbraw/zinc/31/37/05/141313705.db2.gz UOMIITFWFWECAC-LJQANCHMSA-N 2 0 347.503 3.220 10 0 EGAERP O=C(c1cccc(Oc2ccncc2)c1)N1CCC[N@@H+](C2CC2)CC1 ZINC000172001447 144014586 /nfs/dbraw/zinc/01/45/86/144014586.db2.gz VCSRRPPCKDOIIZ-UHFFFAOYSA-N 2 0 337.423 3.184 10 0 EGAERP O=C(CCN1CC[C@H](C[NH+]2CCCCC2)C1)c1ccc(F)cc1F ZINC000187083738 144151697 /nfs/dbraw/zinc/15/16/97/144151697.db2.gz FDENRCAMVPPBJO-OAHLLOKOSA-N 2 0 336.426 3.345 10 0 EGAERP COC[C@@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000187892012 144166176 /nfs/dbraw/zinc/16/61/76/144166176.db2.gz JANFSWHITRFNQT-NHCUHLMSSA-N 2 0 346.515 3.072 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)[NH+]2CCCC2)o1 ZINC000353494359 292255143 /nfs/dbraw/zinc/25/51/43/292255143.db2.gz BOYVXNJVCITSCN-MKXGPGLRSA-N 2 0 331.504 3.187 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@H](O)CC(F)(F)F)CC1 ZINC000189560890 153078454 /nfs/dbraw/zinc/07/84/54/153078454.db2.gz UDGWEJPXQNOFDL-GOEBONIOSA-N 2 0 336.442 3.276 10 0 EGAERP CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc(F)c(Cl)c3)C2)CC1 ZINC000189721122 153092614 /nfs/dbraw/zinc/09/26/14/153092614.db2.gz MHKBNIOQAQXKSM-MRXNPFEDSA-N 2 0 339.886 3.081 10 0 EGAERP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000336876261 154225989 /nfs/dbraw/zinc/22/59/89/154225989.db2.gz BXVOCSUFYJHWBI-RCCFBDPRSA-N 2 0 326.488 3.327 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC1 ZINC000337984122 154591349 /nfs/dbraw/zinc/59/13/49/154591349.db2.gz ATENYSAMIGOVAU-LEWJYISDSA-N 2 0 328.500 3.312 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1C ZINC000093734995 162025237 /nfs/dbraw/zinc/02/52/37/162025237.db2.gz LKKFLWPDOZDNTI-UHFFFAOYSA-N 2 0 346.515 3.389 10 0 EGAERP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)[C@@H]1C[C@H]1c1ccccc1 ZINC000338785313 163348367 /nfs/dbraw/zinc/34/83/67/163348367.db2.gz MZPWIZUXGRZTLT-VDGAXYAQSA-N 2 0 339.483 3.304 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NCC[NH+](C)C1CCCCC1)c1ccccc1 ZINC000343768832 164030742 /nfs/dbraw/zinc/03/07/42/164030742.db2.gz NQLJHHPONXGSMZ-LJQANCHMSA-N 2 0 331.504 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)[NH2+][C@@H](C)c1ccccc1 ZINC000344599335 164197128 /nfs/dbraw/zinc/19/71/28/164197128.db2.gz DVAPFINDMOUBJE-WMZOPIPTSA-N 2 0 331.504 3.106 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346165667 164354325 /nfs/dbraw/zinc/35/43/25/164354325.db2.gz ILWOGYRWLCOTBT-UHFFFAOYSA-N 2 0 332.517 3.488 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccccc1-c1ccnn1C)C[NH+]1CCCCC1 ZINC000352163632 165264884 /nfs/dbraw/zinc/26/48/84/165264884.db2.gz FKGHKHVUFMWMAW-KRWDZBQOSA-N 2 0 326.488 3.299 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)N1CCC(CCC[NH+]2CCCC2)CC1 ZINC000355129085 166114384 /nfs/dbraw/zinc/11/43/84/166114384.db2.gz ICBLRLGOSZVSMR-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP c1ccc(CC[NH+]2CCC(NC3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000366280227 168102023 /nfs/dbraw/zinc/10/20/23/168102023.db2.gz IMPUVAFGJYOEOX-UHFFFAOYSA-N 2 0 341.543 3.300 10 0 EGAERP Cn1cc(-c2ccc(C[NH+]3CCC(C[NH+]4CCCC4)CC3)s2)cn1 ZINC000367344628 168211415 /nfs/dbraw/zinc/21/14/15/168211415.db2.gz ZLECHSQYTLOQAN-UHFFFAOYSA-N 2 0 344.528 3.456 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccccc2C(C)C)[C@H](C)C1 ZINC000175719952 265132444 /nfs/dbraw/zinc/13/24/44/265132444.db2.gz CIXMGQZWIATCRR-VQIMIIECSA-N 2 0 331.504 3.411 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccccc2-n2ccnn2)CC1 ZINC000286301714 275978558 /nfs/dbraw/zinc/97/85/58/275978558.db2.gz WSGHBPJCYYAJRH-MRXNPFEDSA-N 2 0 327.476 3.040 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCO[C@H](C(F)(F)F)C2)ccc1F ZINC000287789054 276157152 /nfs/dbraw/zinc/15/71/52/276157152.db2.gz SRQDPGTWUCYIKO-HIFRSBDPSA-N 2 0 334.357 3.087 10 0 EGAERP C[C@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ncc(-c2ccccc2)n1C ZINC000414177966 309065037 /nfs/dbraw/zinc/06/50/37/309065037.db2.gz JKWXXXCSELWHRZ-DLBZAZTESA-N 2 0 326.488 3.470 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(N2CCOCC2)c1 ZINC000414188267 309065739 /nfs/dbraw/zinc/06/57/39/309065739.db2.gz QLWWRUBVYBZETC-INIZCTEOSA-N 2 0 336.439 3.022 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1cccc(OCC[NH+](C)C)c1 ZINC000414188993 309065810 /nfs/dbraw/zinc/06/58/10/309065810.db2.gz QVIXNCAKFTVPKL-INIZCTEOSA-N 3 0 338.455 3.126 10 0 EGAERP OC1(C[NH2+]C2CCC3(CC3)CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414304230 309071629 /nfs/dbraw/zinc/07/16/29/309071629.db2.gz MAAKKGJBAINGSW-UHFFFAOYSA-N 2 0 328.500 3.326 10 0 EGAERP OC1(C[NH2+][C@@H]2CCC23CCCC3)CC[NH+](Cc2ccccc2)CC1 ZINC000414309495 309072198 /nfs/dbraw/zinc/07/21/98/309072198.db2.gz RVQOMBIYCLWXKL-LJQANCHMSA-N 2 0 328.500 3.326 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000293728539 308156609 /nfs/dbraw/zinc/15/66/09/308156609.db2.gz MVBLFTCBLWILSM-JQWIXIFHSA-N 2 0 329.307 3.429 10 0 EGAERP C[C@H]1C[C@@H](C[NH+]2CCC(N3CCc4cc(F)ccc43)CC2)CC[NH2+]1 ZINC000414768230 309099695 /nfs/dbraw/zinc/09/96/95/309099695.db2.gz UOHIOBRWVGYEIW-HOTGVXAUSA-N 2 0 331.479 3.041 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414809153 309102768 /nfs/dbraw/zinc/10/27/68/309102768.db2.gz GFXHBYHZHMCQBR-LSDHHAIUSA-N 2 0 328.456 3.444 10 0 EGAERP CCOc1cc2[nH+]ccc(N3CC[NH+]4CCC3CC4)c2cc1OCC ZINC000302778938 308745122 /nfs/dbraw/zinc/74/51/22/308745122.db2.gz QKJDEBVBVXHZHS-UHFFFAOYSA-N 2 0 341.455 3.317 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000397554269 308904494 /nfs/dbraw/zinc/90/44/94/308904494.db2.gz JYXWIQBNSFVULD-QWFCFKBJSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414865213 309106346 /nfs/dbraw/zinc/10/63/46/309106346.db2.gz ZCMQZKPRDJGKJT-NWDGAFQWSA-N 2 0 329.257 3.108 10 0 EGAERP C[C@H](C[NH3+])C[NH2+]Cc1cnc(-c2ccc(Br)cc2)s1 ZINC000414886543 309107370 /nfs/dbraw/zinc/10/73/70/309107370.db2.gz YIAREFRHRTZXNT-SNVBAGLBSA-N 2 0 340.290 3.257 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000414910409 309108840 /nfs/dbraw/zinc/10/88/40/309108840.db2.gz CSBWPWVETUYPRX-LERXQTSPSA-N 2 0 329.257 3.379 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[NH2+][C@H](C)C1 ZINC000414952149 309111116 /nfs/dbraw/zinc/11/11/16/309111116.db2.gz QNZLDPZFTZFASL-SUNKGSAMSA-N 2 0 329.257 3.249 10 0 EGAERP Fc1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415051256 309116622 /nfs/dbraw/zinc/11/66/22/309116622.db2.gz JHFZHVUQUQBFGK-VFUGHAIPSA-N 2 0 345.506 3.268 10 0 EGAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000415103025 309120519 /nfs/dbraw/zinc/12/05/19/309120519.db2.gz FIUUPJNPGIMVOL-WOJBJXKFSA-N 2 0 332.488 3.064 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(C[NH+](CC)CC)CC1 ZINC000415943473 309150392 /nfs/dbraw/zinc/15/03/92/309150392.db2.gz LYAOBJZQQPZEPX-UHFFFAOYSA-N 2 0 346.519 3.382 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000417038506 309190702 /nfs/dbraw/zinc/19/07/02/309190702.db2.gz IUQXIQZVUVHPEL-IRXDYDNUSA-N 2 0 346.519 3.018 10 0 EGAERP C[N@H+](CC[C@@H]1CCC[NH2+]C1)CC(=O)Nc1c(Cl)cccc1Cl ZINC000420326839 309282335 /nfs/dbraw/zinc/28/23/35/309282335.db2.gz XWOZZHYAGFZJNR-LBPRGKRZSA-N 2 0 344.286 3.253 10 0 EGAERP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@@H](C)c1ccsc1 ZINC000421001023 309306737 /nfs/dbraw/zinc/30/67/37/309306737.db2.gz FEWRLPQQCDKGOO-HNNXBMFYSA-N 2 0 349.544 3.263 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)c1ccc(F)cc1 ZINC000422707017 309364036 /nfs/dbraw/zinc/36/40/36/309364036.db2.gz GLMCYCNKRNPIGE-MTQWCTHYSA-N 2 0 333.495 3.329 10 0 EGAERP COc1cc(F)c([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422727139 309365278 /nfs/dbraw/zinc/36/52/78/309365278.db2.gz GWXNCGSZTKJVFF-DGCLKSJQSA-N 2 0 347.434 3.417 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000422757171 309366864 /nfs/dbraw/zinc/36/68/64/309366864.db2.gz IFPJIIVCNSSNOH-NWDGAFQWSA-N 2 0 335.398 3.245 10 0 EGAERP CCO[C@H](CC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422804273 309369468 /nfs/dbraw/zinc/36/94/68/309369468.db2.gz FBIOCBKKLPLPOY-QWFCFKBJSA-N 2 0 332.488 3.283 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422811826 309369808 /nfs/dbraw/zinc/36/98/08/309369808.db2.gz POVQUSMJZPTGBI-RRFJBIMHSA-N 2 0 340.414 3.307 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858138 309372310 /nfs/dbraw/zinc/37/23/10/309372310.db2.gz INFYFNBKSCQSNL-CYBMUJFWSA-N 2 0 345.468 3.400 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422876109 309373412 /nfs/dbraw/zinc/37/34/12/309373412.db2.gz PUSWFMABSJUSJV-ZSYWTGECSA-N 2 0 343.515 3.174 10 0 EGAERP Fc1ccc(OCC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934610 309376903 /nfs/dbraw/zinc/37/69/03/309376903.db2.gz GAYXVVAGOMSPEI-QUCCMNQESA-N 2 0 342.414 3.050 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@@H]1C ZINC000423045224 309382809 /nfs/dbraw/zinc/38/28/09/309382809.db2.gz CPILCEMDVJTKDB-HZUJVAHNSA-N 2 0 338.499 3.020 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1 ZINC000423098702 309385952 /nfs/dbraw/zinc/38/59/52/309385952.db2.gz DIWKTZSYFISEAH-OAHLLOKOSA-N 2 0 343.471 3.115 10 0 EGAERP O=C([C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)C1)N1CCCCC1 ZINC000423106561 309386283 /nfs/dbraw/zinc/38/62/83/309386283.db2.gz ZZTFLCZJMWJOFP-UJMXGEILSA-N 2 0 347.547 3.068 10 0 EGAERP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccn1 ZINC000423110096 309386478 /nfs/dbraw/zinc/38/64/78/309386478.db2.gz ULUPBSAJWKQPCC-RBSFLKMASA-N 2 0 325.403 3.083 10 0 EGAERP CCC[N@H+](CC)C[C@H](C)N[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423143598 309388112 /nfs/dbraw/zinc/38/81/12/309388112.db2.gz XLXWJPKMJPTISV-VDGAXYAQSA-N 2 0 333.520 3.198 10 0 EGAERP CC[C@@H]([NH2+]CCCNCc1cccnc1)c1ccc2c(c1)OCCO2 ZINC000423183730 309389529 /nfs/dbraw/zinc/38/95/29/309389529.db2.gz GUCRFRMSGKFDTR-GOSISDBHSA-N 2 0 341.455 3.073 10 0 EGAERP COc1ccc(Cc2nc(C)c([C@H](C)[NH2+]CCC[NH3+])s2)cc1OC ZINC000423192952 309389903 /nfs/dbraw/zinc/38/99/03/309389903.db2.gz QJFWBJWMBDDSAF-LBPRGKRZSA-N 2 0 349.500 3.059 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423394484 309398421 /nfs/dbraw/zinc/39/84/21/309398421.db2.gz MSYMFSJGLVFOHC-RQSWOZRGSA-N 2 0 327.516 3.017 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1 ZINC000423390766 309398446 /nfs/dbraw/zinc/39/84/46/309398446.db2.gz KKGDORYAFIBZQP-RLFYNMQTSA-N 2 0 332.492 3.209 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC[C@H](C[NH3+])CC1)c1ccc(-n2cncn2)cc1Cl ZINC000423424261 309399814 /nfs/dbraw/zinc/39/98/14/309399814.db2.gz MWMNNAWYOHDYDK-RBSFLKMASA-N 2 0 347.894 3.336 10 0 EGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+]Cc2csc(C)c2)CC1 ZINC000449083993 310035669 /nfs/dbraw/zinc/03/56/69/310035669.db2.gz WAUWXAIBJZFIMA-UHFFFAOYSA-N 2 0 343.540 3.484 10 0 EGAERP CC[N@@H+]1CC[C@@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449088546 310036105 /nfs/dbraw/zinc/03/61/05/310036105.db2.gz HXSFETDHNPGZHZ-ICSRJNTNSA-N 2 0 329.532 3.013 10 0 EGAERP CSC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449166204 310041777 /nfs/dbraw/zinc/04/17/77/310041777.db2.gz ZFPMQOQMDUQVQM-SFHVURJKSA-N 2 0 330.582 3.369 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)CC2CCC2)CC1 ZINC000449304604 310051948 /nfs/dbraw/zinc/05/19/48/310051948.db2.gz ZNSWJLCVUQWKAS-DYESRHJHSA-N 2 0 330.516 3.223 10 0 EGAERP CO[C@H]1COCC[C@@H]1C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449457555 310063493 /nfs/dbraw/zinc/06/34/93/310063493.db2.gz HQUARAJPOOARBZ-AEFFLSMTSA-N 2 0 340.552 3.307 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(CC)OC)CC1 ZINC000449478371 310065377 /nfs/dbraw/zinc/06/53/77/310065377.db2.gz RQUANUZJXNPYDG-FQEVSTJZSA-N 2 0 333.520 3.123 10 0 EGAERP CC[C@@H](O)C[N@@H+]1CC(C)(C)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027442 310253431 /nfs/dbraw/zinc/25/34/31/310253431.db2.gz VJADXVOARBQZPS-UXHICEINSA-N 2 0 330.516 3.380 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H]([NH2+]CC3=CCOCC3)[C@H]3CCC[C@H]32)cc1 ZINC000453280644 310269017 /nfs/dbraw/zinc/26/90/17/310269017.db2.gz FYPSUNQLHRTVEO-NJDAHSKKSA-N 2 0 326.484 3.366 10 0 EGAERP C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453360940 310272813 /nfs/dbraw/zinc/27/28/13/310272813.db2.gz UCYMSUSUIPXXJR-LRGNLBRXSA-N 2 0 338.499 3.136 10 0 EGAERP CCOc1cc(C[N@@H+]2CCC[C@@H](c3ncc[nH]3)C2)c(F)cc1OC ZINC000529525638 313342858 /nfs/dbraw/zinc/34/28/58/313342858.db2.gz ZBDMHROOEJSHAE-CYBMUJFWSA-N 2 0 333.407 3.336 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064485 314022929 /nfs/dbraw/zinc/02/29/29/314022929.db2.gz VINNNWPTFJGDJN-KBPBESRZSA-N 2 0 327.875 3.156 10 0 EGAERP c1ccc2c(C[NH+]3CCC(OCC[NH+]4CCCC4)CC3)ccnc2c1 ZINC000536665887 314136857 /nfs/dbraw/zinc/13/68/57/314136857.db2.gz FXNLGYLJQTUPAD-UHFFFAOYSA-N 2 0 339.483 3.312 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](CC(=O)NC2CCCCC2)CC1 ZINC000542943276 314593427 /nfs/dbraw/zinc/59/34/27/314593427.db2.gz HMZMYRUZCVQVLO-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)[C@@H]1CCOc2c(NC3CC[NH+](CC4CC4)CC3)cccc21 ZINC000567551716 316632724 /nfs/dbraw/zinc/63/27/24/316632724.db2.gz IGPNCDOUZCUZSA-LJQANCHMSA-N 2 0 329.488 3.358 10 0 EGAERP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407972 317196078 /nfs/dbraw/zinc/19/60/78/317196078.db2.gz OCALOOHOPJXDDE-CVEARBPZSA-N 2 0 329.419 3.302 10 0 EGAERP Cc1cnn(CC[N@@H+](C)C[C@H]2CC[NH+](Cc3ccc(C)s3)C2)c1 ZINC000571647085 317227811 /nfs/dbraw/zinc/22/78/11/317227811.db2.gz YOTVVWFKMZLHRD-QGZVFWFLSA-N 2 0 332.517 3.015 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000571674372 317231948 /nfs/dbraw/zinc/23/19/48/317231948.db2.gz RYRPFWQRILKPMV-NRUPQRNLSA-N 2 0 329.488 3.444 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1ccsc1 ZINC000572731168 317383874 /nfs/dbraw/zinc/38/38/74/317383874.db2.gz CAHDKIPFKNLTKG-GOSISDBHSA-N 2 0 345.512 3.062 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1(c2ccccn2)CCC1 ZINC000573272996 317461881 /nfs/dbraw/zinc/46/18/81/317461881.db2.gz BPGWXZYGBAPKMQ-UHFFFAOYSA-N 2 0 333.439 3.182 10 0 EGAERP CCC[C@@H](C)C[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000180044853 323420631 /nfs/dbraw/zinc/42/06/31/323420631.db2.gz HUKJSFXKSUVCTE-QGZVFWFLSA-N 2 0 331.504 3.038 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CCC(CC[NH+]4CCOCC4)CC3)c2c1 ZINC000575791618 324480032 /nfs/dbraw/zinc/48/00/32/324480032.db2.gz FHWHIZZMKVQXFD-UHFFFAOYSA-N 2 0 339.483 3.482 10 0 EGAERP Cc1cc(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc(C)c1O ZINC000580127644 325205479 /nfs/dbraw/zinc/20/54/79/325205479.db2.gz VTOKBGMNUQOKEO-UHFFFAOYSA-N 2 0 346.515 3.333 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c1OC ZINC000581005743 325320128 /nfs/dbraw/zinc/32/01/28/325320128.db2.gz HSPGNPUMRSVNMT-OKZBNKHCSA-N 2 0 332.488 3.147 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809177 460568520 /nfs/dbraw/zinc/56/85/20/460568520.db2.gz MHLZSOXWOHHQJW-MAUKXSAKSA-N 2 0 328.460 3.009 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475600 460570661 /nfs/dbraw/zinc/57/06/61/460570661.db2.gz UDVXCUWPGVOEHH-GDBMZVCRSA-N 2 0 328.460 3.303 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)[C@H]1c1ccc(F)c(F)c1 ZINC000623477848 460570679 /nfs/dbraw/zinc/57/06/79/460570679.db2.gz ULXLXQAMISBJPO-FHLIZLRMSA-N 2 0 337.458 3.172 10 0 EGAERP C[C@@H]1C[C@@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000245679784 455354209 /nfs/dbraw/zinc/35/42/09/455354209.db2.gz IQBNEOWUVRWBKG-QYWQTSRKSA-N 2 0 339.527 3.397 10 0 EGAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1cc2cc(Br)ccc2o1 ZINC000629537985 460799749 /nfs/dbraw/zinc/79/97/49/460799749.db2.gz LNNMDAZSKITWMY-LLVKDONJSA-N 2 0 341.249 3.211 10 0 EGAERP O[C@@H]1CCCC[C@H]1C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245717322 455363076 /nfs/dbraw/zinc/36/30/76/455363076.db2.gz OFEVWWDJVWDOJD-ALGQRKQJSA-N 2 0 328.500 3.323 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000120937411 454366045 /nfs/dbraw/zinc/36/60/45/454366045.db2.gz JILSHXWPGCGMBU-SHACYNPGSA-N 2 0 348.487 3.476 10 0 EGAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1ccccc1Cl ZINC000047972956 454426056 /nfs/dbraw/zinc/42/60/56/454426056.db2.gz UDMSHLWQIZLKIN-UHFFFAOYSA-N 2 0 349.906 3.476 10 0 EGAERP COc1c(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)nn1C ZINC000093844560 454738768 /nfs/dbraw/zinc/73/87/68/454738768.db2.gz RKLQDYGRVVOXHJ-INIZCTEOSA-N 2 0 348.535 3.214 10 0 EGAERP CCC[C@@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000162171522 454756771 /nfs/dbraw/zinc/75/67/71/454756771.db2.gz LAVVMBXEUYBFCH-LPHOPBHVSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCN1C ZINC000154655909 454916190 /nfs/dbraw/zinc/91/61/90/454916190.db2.gz GKVMOPAUPYMRDC-AAEUAGOBSA-N 2 0 329.257 3.203 10 0 EGAERP O[C@@H](C[NH+]1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1)c1ccccc1 ZINC000178922310 454990206 /nfs/dbraw/zinc/99/02/06/454990206.db2.gz QGKNDPCWZYNCCB-RXVVDRJESA-N 2 0 328.500 3.378 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189352995 455182763 /nfs/dbraw/zinc/18/27/63/455182763.db2.gz AFVGIOZQBUYPOX-UHFFFAOYSA-N 2 0 344.478 3.281 10 0 EGAERP [NH3+]C1(CNC(=O)c2cccc(C[NH+]3CCCC3)c2)CCCCCC1 ZINC000237779119 455216966 /nfs/dbraw/zinc/21/69/66/455216966.db2.gz HOFLYFKSAVJRQM-UHFFFAOYSA-N 2 0 329.488 3.064 10 0 EGAERP C[C@H]([NH2+]CC(=O)NCC1CCCCC1)c1cccc(-n2ccnc2)c1 ZINC000180651429 455218091 /nfs/dbraw/zinc/21/80/91/455218091.db2.gz AAIJAIJTBZAJML-INIZCTEOSA-N 2 0 340.471 3.219 10 0 EGAERP COc1ccc(CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C)C2)cc1OC(F)F ZINC000245748312 455371248 /nfs/dbraw/zinc/37/12/48/455371248.db2.gz GXPXJOXKNUFHKT-LSDHHAIUSA-N 2 0 340.414 3.213 10 0 EGAERP CC(=O)Nc1ccc([C@@H](C)[NH2+]C2CCN(c3ccccn3)CC2)cc1 ZINC000181948407 455402796 /nfs/dbraw/zinc/40/27/96/455402796.db2.gz NHPOSPYAWFULOQ-OAHLLOKOSA-N 2 0 338.455 3.360 10 0 EGAERP c1n[nH]cc1[C@@H]1CCCCN1CCC[N@@H+]1CCCC[C@H]1c1cn[nH]c1 ZINC000246881375 455533873 /nfs/dbraw/zinc/53/38/73/455533873.db2.gz FYMIWAUPCLKFKX-OALUTQOASA-N 2 0 342.491 3.277 10 0 EGAERP C[N@@H+]1CCC[C@H]2CN(Cc3c[nH]nc3-c3ccc(F)cc3)CC[C@H]21 ZINC000247301620 455585266 /nfs/dbraw/zinc/58/52/66/455585266.db2.gz ZRVPNHQSROQERQ-MAUKXSAKSA-N 2 0 328.435 3.132 10 0 EGAERP Cc1cc(-c2noc([C@@H](C)N3CC[C@]4(CC[N@H+](C)C4)C3)n2)ccc1F ZINC000292245453 455607155 /nfs/dbraw/zinc/60/71/55/455607155.db2.gz XFFMZIATKDLWRR-KUHUBIRLSA-N 2 0 344.434 3.273 10 0 EGAERP C[NH+](C)CCCC1CC[NH+]([C@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271368738 455612942 /nfs/dbraw/zinc/61/29/42/455612942.db2.gz OXDWSDTVAKXHMN-NRFANRHFSA-N 2 0 329.532 3.315 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192476840 455627936 /nfs/dbraw/zinc/62/79/36/455627936.db2.gz DAALQDAVPXSCEH-HNNXBMFYSA-N 2 0 347.528 3.344 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192673026 455665438 /nfs/dbraw/zinc/66/54/38/455665438.db2.gz KFGMRWABPYTKET-AWEZNQCLSA-N 2 0 335.517 3.200 10 0 EGAERP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)o1 ZINC000268973611 455750021 /nfs/dbraw/zinc/75/00/21/455750021.db2.gz ITFHEEHQQHFIFA-ATZDWAIDSA-N 2 0 328.456 3.122 10 0 EGAERP c1ccc(CCN2CCC([NH2+]CC3CC[NH+](C4CC4)CC3)CC2)cc1 ZINC000278175381 455778110 /nfs/dbraw/zinc/77/81/10/455778110.db2.gz BFGKXWMKXFHRPC-UHFFFAOYSA-N 2 0 341.543 3.158 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000250103297 455784783 /nfs/dbraw/zinc/78/47/83/455784783.db2.gz RTHZYOGYCFTYBW-XUVXKRRUSA-N 2 0 328.500 3.039 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CCCC[NH+](C)C)c(Br)c1 ZINC000271860942 455790303 /nfs/dbraw/zinc/79/03/03/455790303.db2.gz KFUGIDOGEZVNQM-LBPRGKRZSA-N 2 0 329.282 3.450 10 0 EGAERP CC[C@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H](O)C(F)F ZINC000296312856 455906210 /nfs/dbraw/zinc/90/62/10/455906210.db2.gz GKWRXSNTQXNPMJ-FOIPXRHGSA-N 2 0 340.458 3.424 10 0 EGAERP [NH3+]Cc1ccc(-c2noc(-c3cccc(C[NH+]4CCCC4)c3)n2)cc1 ZINC000261938455 455974987 /nfs/dbraw/zinc/97/49/87/455974987.db2.gz DLFKKRJFIYPZAX-UHFFFAOYSA-N 2 0 334.423 3.458 10 0 EGAERP COc1cc(CCC2CC[NH+](C[C@H]3CCC[NH2+]C3)CC2)cc(OC)c1 ZINC000261995675 455982604 /nfs/dbraw/zinc/98/26/04/455982604.db2.gz SVXZTVCPCFGXAQ-IBGZPJMESA-N 2 0 346.515 3.348 10 0 EGAERP C[C@H]([NH2+]C[C@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572607 455998938 /nfs/dbraw/zinc/99/89/38/455998938.db2.gz IODFXVFSXAKRGI-VLCRHTCISA-N 2 0 338.495 3.263 10 0 EGAERP CCC(CC)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH2+][C@H](C)c1ccccc1 ZINC000262662772 456052182 /nfs/dbraw/zinc/05/21/82/456052182.db2.gz HFRBQOVJTVTXCT-NXHRZFHOSA-N 2 0 331.504 3.140 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000272766939 456065188 /nfs/dbraw/zinc/06/51/88/456065188.db2.gz MGYBOUOZJFDAGP-KVSKMBFKSA-N 2 0 326.488 3.149 10 0 EGAERP COc1cnccc1[C@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188769765 456132016 /nfs/dbraw/zinc/13/20/16/456132016.db2.gz VTVMUZIBWMNDKK-HOTGVXAUSA-N 2 0 343.471 3.442 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000281104437 456135035 /nfs/dbraw/zinc/13/50/35/456135035.db2.gz RBJIRACSNKUOCS-JQHSSLGASA-N 2 0 348.487 3.009 10 0 EGAERP CC(C)C1CCC([NH+]2CCN(C(=O)c3ccc(C[NH3+])cc3)CC2)CC1 ZINC000236592099 456157513 /nfs/dbraw/zinc/15/75/13/456157513.db2.gz XFKFUITWDHWAHR-UHFFFAOYSA-N 2 0 343.515 3.118 10 0 EGAERP O=C(NCc1ccc2c[nH+]cn2c1)[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000297414536 456215160 /nfs/dbraw/zinc/21/51/60/456215160.db2.gz YNPVNDIGBRNQOH-FQEVSTJZSA-N 2 0 348.450 3.005 10 0 EGAERP CCOc1cc(C[N@H+](C)CCc2cncn2C)ccc1OC(F)F ZINC000290141092 456250384 /nfs/dbraw/zinc/25/03/84/456250384.db2.gz VUCBARUCNPNJMW-UHFFFAOYSA-N 2 0 339.386 3.095 10 0 EGAERP CCc1nnc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)s1 ZINC000290216715 456268807 /nfs/dbraw/zinc/26/88/07/456268807.db2.gz QMAXHIJBMLCFOJ-YESZJQIVSA-N 2 0 342.512 3.101 10 0 EGAERP Cn1c2ccccc2nc1N1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000281754335 456311038 /nfs/dbraw/zinc/31/10/38/456311038.db2.gz CDLGWPPXVDYIAS-HNNXBMFYSA-N 2 0 335.455 3.490 10 0 EGAERP CCN(C(=O)C[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000337643846 456451548 /nfs/dbraw/zinc/45/15/48/456451548.db2.gz GPVJZGAKOPMSIF-PKOBYXMFSA-N 2 0 331.504 3.012 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1(C)C ZINC000282242283 456452951 /nfs/dbraw/zinc/45/29/51/456452951.db2.gz JECRHMNBDUETJO-GOSISDBHSA-N 2 0 335.923 3.407 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC[C@H]3C(C)(C)C)cn2)CC1 ZINC000348082987 456465349 /nfs/dbraw/zinc/46/53/49/456465349.db2.gz JHHWPOJPEBYXQL-MSOLQXFVSA-N 2 0 330.520 3.138 10 0 EGAERP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](C)[C@@H]3c3ccccc3)ccc2n1 ZINC000276476320 456493387 /nfs/dbraw/zinc/49/33/87/456493387.db2.gz ZNOZGEWENBYOPD-PKOBYXMFSA-N 2 0 349.438 3.210 10 0 EGAERP CCN1CCC[C@H]([NH2+][C@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032871 456578332 /nfs/dbraw/zinc/57/83/32/456578332.db2.gz YRDFYWNKJBCMFL-CVEARBPZSA-N 2 0 327.513 3.144 10 0 EGAERP Cc1ccc(NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)c(C[NH+](C)C)c1 ZINC000291416691 456638719 /nfs/dbraw/zinc/63/87/19/456638719.db2.gz XOAYXVGGDJMUBC-IBGZPJMESA-N 2 0 335.467 3.208 10 0 EGAERP c1ccc(CN2CCC[N@H+](Cc3cccc4c3CC[NH2+]C4)CC2)cc1 ZINC000324085182 456659904 /nfs/dbraw/zinc/65/99/04/456659904.db2.gz ZPBQOFKSXQRLNV-UHFFFAOYSA-N 2 0 335.495 3.040 10 0 EGAERP CO[C@H](CC[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000348418690 456677696 /nfs/dbraw/zinc/67/76/96/456677696.db2.gz JHIUKUVDYSSTDN-DJIMGWMZSA-N 2 0 344.421 3.454 10 0 EGAERP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000343573116 456715432 /nfs/dbraw/zinc/71/54/32/456715432.db2.gz AUWDYZGFJLLYQE-XSYGEPLQSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283481523 456789538 /nfs/dbraw/zinc/78/95/38/456789538.db2.gz XDTMTPKTTHPVFW-QMMLZNLJSA-N 2 0 329.532 3.042 10 0 EGAERP COCC[C@H](COC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353638956 456822012 /nfs/dbraw/zinc/82/20/12/456822012.db2.gz CPBQIXGXVNTXFF-IOJLRTSASA-N 2 0 334.504 3.071 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+][C@@H]2CSC2(C)C)CC1 ZINC000338480949 456831014 /nfs/dbraw/zinc/83/10/14/456831014.db2.gz NPKIYERJNOYMRE-MRXNPFEDSA-N 2 0 339.936 3.075 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)CC(C)C ZINC000354617079 457291306 /nfs/dbraw/zinc/29/13/06/457291306.db2.gz WRASSHNOCUMXCM-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)N1CCC(c2c[nH]cn2)CC1)CC(C)C ZINC000363319861 457292159 /nfs/dbraw/zinc/29/21/59/457292159.db2.gz RAASYYIHYDVHLS-QGZVFWFLSA-N 2 0 349.523 3.055 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]Cc2cnc(C(C)(C)C)nc2)ccc1F ZINC000342736425 457488398 /nfs/dbraw/zinc/48/83/98/457488398.db2.gz XFZWKHYSPCMOCR-UHFFFAOYSA-N 2 0 330.451 3.265 10 0 EGAERP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400502824 457519005 /nfs/dbraw/zinc/51/90/05/457519005.db2.gz HEFKQPQLXIWYRA-HZPDHXFCSA-N 2 0 339.524 3.094 10 0 EGAERP CCN1CCC[C@@H](C[N@H+](C)Cc2ccc(F)cc2)[C@@H]1c1cnn(C)c1 ZINC000370308709 457614676 /nfs/dbraw/zinc/61/46/76/457614676.db2.gz OYINIBUOLOVDAZ-FXAWDEMLSA-N 2 0 344.478 3.464 10 0 EGAERP C[NH+](C)[C@H](CC(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000433351943 457818470 /nfs/dbraw/zinc/81/84/70/457818470.db2.gz KVXFKQYOBHFTKU-HXUWFJFHSA-N 2 0 343.515 3.014 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCC[C@@H]2CCCC[C@@H]2O)[C@H](C)C1 ZINC000358315015 457929071 /nfs/dbraw/zinc/92/90/71/457929071.db2.gz GCWZIWHZJLZUPW-FYQPLNBISA-N 2 0 340.552 3.044 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@H]1c1ccc(Cl)cc1 ZINC000358372729 457961453 /nfs/dbraw/zinc/96/14/53/457961453.db2.gz XAMRMSZOPLRPDU-AKHDSKFASA-N 2 0 333.907 3.302 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000445809396 458091953 /nfs/dbraw/zinc/09/19/53/458091953.db2.gz FMLBATVZUQZEPG-UHFFFAOYSA-N 2 0 340.515 3.485 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOCCOCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000375894319 458113035 /nfs/dbraw/zinc/11/30/35/458113035.db2.gz DJLMMOCTLACLEK-QHAWAJNXSA-N 2 0 346.515 3.072 10 0 EGAERP C[NH+]1CCC(O)(C[NH2+][C@H](Cc2ccc(F)cc2)c2ccccc2)CC1 ZINC000447545234 458308785 /nfs/dbraw/zinc/30/87/85/458308785.db2.gz WUPMAOYGCRDKCP-HXUWFJFHSA-N 2 0 342.458 3.156 10 0 EGAERP C[C@H](NC1CC([NH+]2CCCCC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000376595189 458348718 /nfs/dbraw/zinc/34/87/18/458348718.db2.gz LDMUVZZNNHYHNS-KKXNLOMOSA-N 2 0 345.531 3.295 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@@H](C)C1 ZINC000429814370 458374255 /nfs/dbraw/zinc/37/42/55/458374255.db2.gz ZORHJIUYXZZIPO-PAQOUXTFSA-N 2 0 349.563 3.218 10 0 EGAERP c1cn2cc(CN3CCN(c4cc[nH+]c5ccccc54)CC3)nc2s1 ZINC000459468168 458381116 /nfs/dbraw/zinc/38/11/16/458381116.db2.gz BBKLODYCQPGWSF-UHFFFAOYSA-N 2 0 349.463 3.266 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435476 458432732 /nfs/dbraw/zinc/43/27/32/458432732.db2.gz YYKRYQHCQQLDIA-VNYTWHDVSA-N 3 0 329.532 3.252 10 0 EGAERP COCCC[C@H](N[C@H](C)[C@@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423453488 458435526 /nfs/dbraw/zinc/43/55/26/458435526.db2.gz XSOJJVNIQNINPF-JMSVASOKSA-N 2 0 329.282 3.242 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@H]2CCC[NH2+]2)CC1 ZINC000423476583 458438622 /nfs/dbraw/zinc/43/86/22/458438622.db2.gz JBDMYMQUPZAEOR-UYAOXDASSA-N 3 0 329.532 3.204 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21 ZINC000423483574 458440773 /nfs/dbraw/zinc/44/07/73/458440773.db2.gz QHCLKYXHVGRKNF-RDGPPVDQSA-N 2 0 349.469 3.016 10 0 EGAERP Cn1ccc([C@H]([NH2+]CCC[C@@H]2CCC[NH2+]2)c2ccc(Cl)cc2)n1 ZINC000423489943 458442003 /nfs/dbraw/zinc/44/20/03/458442003.db2.gz XAWCCLHSFUXMDC-FUHWJXTLSA-N 2 0 332.879 3.285 10 0 EGAERP C[C@@H](Cc1coc2ccccc12)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423506870 458445784 /nfs/dbraw/zinc/44/57/84/458445784.db2.gz IXXGSPFDTOEFAD-IVMQYODDSA-N 2 0 341.499 3.170 10 0 EGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)s1 ZINC000423506978 458446361 /nfs/dbraw/zinc/44/63/61/458446361.db2.gz JDOPMWFMMWPCBY-HSBZDZAISA-N 2 0 327.925 3.269 10 0 EGAERP Cc1cccc2c1[C@H](C)C[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519307 458449811 /nfs/dbraw/zinc/44/98/11/458449811.db2.gz PQONCFADYMGQDO-CKVGWXAMSA-N 2 0 327.516 3.349 10 0 EGAERP Fc1ccc2c(c1)CCC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521102 458450464 /nfs/dbraw/zinc/45/04/64/458450464.db2.gz SDSOUVRXFAWPJL-AFMYVXGZSA-N 2 0 331.479 3.009 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)C2CC3CC(C2)CC1C3 ZINC000423531365 458452996 /nfs/dbraw/zinc/45/29/96/458452996.db2.gz SPJACLNYBXWUMO-GZINOTJKSA-N 2 0 332.532 3.325 10 0 EGAERP C[N@@H+]1CCC[C@H](CC[NH2+]Cc2ccc(Br)c(F)c2)C1 ZINC000459743125 458465506 /nfs/dbraw/zinc/46/55/06/458465506.db2.gz WHGIFJKFQGJRBN-GFCCVEGCSA-N 2 0 329.257 3.410 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCC[N@H+](C)C2)CC1 ZINC000459773787 458475333 /nfs/dbraw/zinc/47/53/33/458475333.db2.gz IWJKCCCVHJGEPG-TZIWHRDSSA-N 3 0 343.559 3.404 10 0 EGAERP C[C@H](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)[NH2+]CCC[NH3+] ZINC000437772653 458491237 /nfs/dbraw/zinc/49/12/37/458491237.db2.gz KGMGOCUJJRIFJK-SECBINFHSA-N 2 0 337.773 3.014 10 0 EGAERP C[C@H]1C[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[N@@H+]1C1CC1 ZINC000373490620 458508654 /nfs/dbraw/zinc/50/86/54/458508654.db2.gz QPFZKVJOEBVASV-BUTPEJBISA-N 2 0 345.453 3.007 10 0 EGAERP C[C@H](O)[C@H](C)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020404 458517143 /nfs/dbraw/zinc/51/71/43/458517143.db2.gz PGMWQEUQLQLUHK-ABSDTBQOSA-N 2 0 330.516 3.378 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCCOc1ccccc1 ZINC000438113957 458535052 /nfs/dbraw/zinc/53/50/52/458535052.db2.gz CYMFNZNIDVYVTB-MISYRCLQSA-N 2 0 332.488 3.029 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH2+]C24CCC4)C3)cc1 ZINC000530217672 458719956 /nfs/dbraw/zinc/71/99/56/458719956.db2.gz VHAYYADRWGIPGM-IYWMVGAKSA-N 2 0 325.500 3.056 10 0 EGAERP [NH3+]CC1CCC([NH2+]Cc2cc(F)c(Br)cc2F)CC1 ZINC000530220215 458721944 /nfs/dbraw/zinc/72/19/44/458721944.db2.gz MKAGXEZHPZIQEV-UHFFFAOYSA-N 2 0 333.220 3.334 10 0 EGAERP c1ccc(OCC2CC2)c(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530247630 458730592 /nfs/dbraw/zinc/73/05/92/458730592.db2.gz BEHBDEQZQYVNOP-HXUWFJFHSA-N 2 0 344.499 3.066 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494885841 458761204 /nfs/dbraw/zinc/76/12/04/458761204.db2.gz KDRDTKFKRAJQBN-VQIMIIECSA-N 2 0 343.515 3.065 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000494926070 458765951 /nfs/dbraw/zinc/76/59/51/458765951.db2.gz WCQIEVHBKZZSSF-SFHLNBCPSA-N 2 0 329.532 3.219 10 0 EGAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000547653951 458769194 /nfs/dbraw/zinc/76/91/94/458769194.db2.gz IUAIORFSUITEGF-DOMZBBRYSA-N 2 0 327.394 3.409 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CC[C@@]3(C2)CCC[NH2+]C3)cc1)C(C)C ZINC000518984983 458906183 /nfs/dbraw/zinc/90/61/83/458906183.db2.gz LFAFHKKBAXXCIJ-NRFANRHFSA-N 2 0 343.515 3.133 10 0 EGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000532232517 459050820 /nfs/dbraw/zinc/05/08/20/459050820.db2.gz KVYSUWLNHOXGQP-DYESRHJHSA-N 2 0 342.527 3.149 10 0 EGAERP CCOC(=O)[C@H]1CC[C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000594512117 459071234 /nfs/dbraw/zinc/07/12/34/459071234.db2.gz UCWLMSYLHIEFHT-QGWWYQLQSA-N 2 0 330.472 3.098 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccc21 ZINC000594512114 459071261 /nfs/dbraw/zinc/07/12/61/459071261.db2.gz UCWLMSYLHIEFHT-OHQAAIJDSA-N 2 0 330.472 3.098 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000567381834 459097544 /nfs/dbraw/zinc/09/75/44/459097544.db2.gz NBBPYDXCWTUHKZ-BLWBWXFKSA-N 2 0 326.444 3.273 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000567679121 459143342 /nfs/dbraw/zinc/14/33/42/459143342.db2.gz LQEKACJEHAFUBM-IBGZPJMESA-N 2 0 346.515 3.014 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000594940311 459185298 /nfs/dbraw/zinc/18/52/98/459185298.db2.gz ZMEPOWHOOPRPDC-FLFBIERCSA-N 2 0 344.499 3.074 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000594940313 459185399 /nfs/dbraw/zinc/18/53/99/459185399.db2.gz ZMEPOWHOOPRPDC-ORFRNNEJSA-N 2 0 344.499 3.074 10 0 EGAERP O[C@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)Cc1ccc(C(F)(F)F)cc1 ZINC000578436261 459200318 /nfs/dbraw/zinc/20/03/18/459200318.db2.gz JCUBMQKHXHQWBP-KRWDZBQOSA-N 2 0 349.356 3.046 10 0 EGAERP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480620645 459209294 /nfs/dbraw/zinc/20/92/94/459209294.db2.gz VRIJXXJQENJMHO-SBHAEUEKSA-N 2 0 329.532 3.219 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000595041567 459226113 /nfs/dbraw/zinc/22/61/13/459226113.db2.gz CABICGVSOIOMOF-UHOSZYNNSA-N 2 0 346.515 3.289 10 0 EGAERP CSCC1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)CC1 ZINC000595067583 459234567 /nfs/dbraw/zinc/23/45/67/459234567.db2.gz GEKOZHUJHJMTMU-MHJFOBGBSA-N 2 0 348.556 3.265 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCO[C@@H](C(C)C)C1 ZINC000583184603 459496407 /nfs/dbraw/zinc/49/64/07/459496407.db2.gz MQWRJJKUQUYGGC-QFBILLFUSA-N 2 0 328.460 3.117 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000562054567 459507146 /nfs/dbraw/zinc/50/71/46/459507146.db2.gz BNALISFYXXGUNB-BWAGFHJFSA-N 2 0 338.495 3.090 10 0 EGAERP CC[NH+](CC)Cc1ccc(NC(=O)CCN(C)c2cc[nH+]cc2)cc1 ZINC000527053558 459582978 /nfs/dbraw/zinc/58/29/78/459582978.db2.gz VNVVISSOGYTHNW-UHFFFAOYSA-N 2 0 340.471 3.388 10 0 EGAERP C[C@@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCCCC1 ZINC000543407841 459653749 /nfs/dbraw/zinc/65/37/49/459653749.db2.gz XJBJKXYEEBOETI-QGZVFWFLSA-N 2 0 330.520 3.282 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@H](C(C)(C)C)C1 ZINC000544180166 459735469 /nfs/dbraw/zinc/73/54/69/459735469.db2.gz AYFDIZRXMPHFKV-AEFFLSMTSA-N 2 0 328.460 3.259 10 0 EGAERP CN1C(=O)c2ccccc2[C@H]1C[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000527810053 459745922 /nfs/dbraw/zinc/74/59/22/459745922.db2.gz WDKABMPIPGVAOB-OAQYLSRUSA-N 2 0 349.478 3.068 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1NC(C)=O ZINC000528008406 459794582 /nfs/dbraw/zinc/79/45/82/459794582.db2.gz DNGMTLHZSQZKOC-KBXCAEBGSA-N 2 0 345.487 3.321 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@H]2CCN2C2CCCC2)cc1NC(C)=O ZINC000528008409 459794695 /nfs/dbraw/zinc/79/46/95/459794695.db2.gz DNGMTLHZSQZKOC-RDTXWAMCSA-N 2 0 345.487 3.321 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983001 460116571 /nfs/dbraw/zinc/11/65/71/460116571.db2.gz WYHYDPRWOGFNOT-CVEARBPZSA-N 2 0 326.525 3.453 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]Cc2ccc3cccnc3c2)cc1 ZINC000589641689 460119520 /nfs/dbraw/zinc/11/95/20/460119520.db2.gz ZCSCSBQFSCQCRC-UHFFFAOYSA-N 2 0 335.451 3.465 10 0 EGAERP C[C@@H]1[NH2+]CC[C@H]1NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000625833610 460277999 /nfs/dbraw/zinc/27/79/99/460277999.db2.gz RCXANVFSWVWDQA-MAUKXSAKSA-N 2 0 344.503 3.323 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(Cl)c3c(c2)OCCO3)CC1(C)C ZINC000623344827 460501279 /nfs/dbraw/zinc/50/12/79/460501279.db2.gz DPYLRVYBZLZHNY-AWEZNQCLSA-N 2 0 338.879 3.116 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC000623383177 460520132 /nfs/dbraw/zinc/52/01/32/460520132.db2.gz HPGOFXDXFPWMSW-VQTJNVASSA-N 3 0 329.532 3.361 10 0 EGAERP C[N@@H+]1CC[C@@H](NCC2([NH+]3CCSCC3)CCCCC2)CC1(C)C ZINC000623415329 460536719 /nfs/dbraw/zinc/53/67/19/460536719.db2.gz HQERVMREGXQRCG-QGZVFWFLSA-N 2 0 339.593 3.201 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000623879265 460759067 /nfs/dbraw/zinc/75/90/67/460759067.db2.gz BSRZHWALMQDADU-DYESRHJHSA-N 2 0 346.515 3.454 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H](Cc2ccc(F)cc2)c2ccccc2)CCOCC1 ZINC000629519924 460792665 /nfs/dbraw/zinc/79/26/65/460792665.db2.gz IXWAXQJQKDKSQL-IBGZPJMESA-N 2 0 328.431 3.207 10 0 EGAERP C/C=C/COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521416 460793888 /nfs/dbraw/zinc/79/38/88/460793888.db2.gz PFFKKLFGZFUWFU-IDOMTICXSA-N 2 0 332.488 3.060 10 0 EGAERP C[C@@H]([NH2+]CC1([NH3+])CCOCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000629521708 460794463 /nfs/dbraw/zinc/79/44/63/460794463.db2.gz RUXWTIAOXCXDJQ-NEPJUHHUSA-N 2 0 347.286 3.247 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1sc(-c2ccc(C)cc2)nc1C ZINC000629528781 460797888 /nfs/dbraw/zinc/79/78/88/460797888.db2.gz JBUHFJGPAAOKCD-AWEZNQCLSA-N 2 0 333.501 3.314 10 0 EGAERP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000629531652 460798214 /nfs/dbraw/zinc/79/82/14/460798214.db2.gz STTIVVDRHMZBEK-LTFPLMDUSA-N 2 0 338.536 3.107 10 0 EGAERP C[C@H]([NH2+]CCOCCC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000629536046 460799888 /nfs/dbraw/zinc/79/98/88/460799888.db2.gz DPZWYNUGPIIBHE-ZDUSSCGKSA-N 2 0 338.398 3.457 10 0 EGAERP Cc1nc(-c2ccc(F)cc2)sc1[C@@H](C)[NH2+]CCOCCC[NH3+] ZINC000629542481 460801115 /nfs/dbraw/zinc/80/11/15/460801115.db2.gz YYDHOFZOBLOWNJ-GFCCVEGCSA-N 2 0 337.464 3.274 10 0 EGAERP COc1ccccc1-c1ccc([C@@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541941 460801432 /nfs/dbraw/zinc/80/14/32/460801432.db2.gz UOTCTQXAEHKXFI-MRXNPFEDSA-N 2 0 328.456 3.378 10 0 EGAERP Clc1cccc2c(CC[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556172 460804905 /nfs/dbraw/zinc/80/49/05/460804905.db2.gz LUCNAZKWNDDXAF-KBAYOESNSA-N 2 0 347.890 3.111 10 0 EGAERP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@@H]1[C@@H]1CCC[NH2+]1 ZINC000629555531 460806010 /nfs/dbraw/zinc/80/60/10/460806010.db2.gz WIJRXKMLKRNZFD-IXDOHACOSA-N 2 0 342.405 3.038 10 0 EGAERP Cc1cc2cc(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)oc2cc1C ZINC000617505439 460883992 /nfs/dbraw/zinc/88/39/92/460883992.db2.gz CKJSKORXBZKPFF-INIZCTEOSA-N 2 0 345.487 3.051 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@@H](C3CC3)C2)CC1 ZINC000624224100 460917810 /nfs/dbraw/zinc/91/78/10/460917810.db2.gz MNWSWKRMVOSBBF-MAODMQOUSA-N 2 0 328.500 3.239 10 0 EGAERP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662284046 461165083 /nfs/dbraw/zinc/16/50/83/461165083.db2.gz WUJIRAXLZCJYFD-ZWKOTPCHSA-N 2 0 342.508 3.451 10 0 EGAERP COc1ccc(OCCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662295238 461172599 /nfs/dbraw/zinc/17/25/99/461172599.db2.gz GEWBYOZZKQELDN-GOSISDBHSA-N 2 0 332.488 3.176 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@H](N(C)c2ccccc2)C1 ZINC000668690175 461384977 /nfs/dbraw/zinc/38/49/77/461384977.db2.gz LMUNLGWNXFIBKK-NRFANRHFSA-N 2 0 347.466 3.286 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC2=CCSC2)CC1 ZINC000668774726 461428760 /nfs/dbraw/zinc/42/87/60/461428760.db2.gz IBWRPDCCFLLYTL-UHFFFAOYSA-N 2 0 345.556 3.324 10 0 EGAERP OCCCOC1CC[NH+](Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000663097084 461455669 /nfs/dbraw/zinc/45/56/69/461455669.db2.gz MVCSESABCZCPQV-UHFFFAOYSA-N 2 0 346.515 3.036 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806943 461466273 /nfs/dbraw/zinc/46/62/73/461466273.db2.gz FABBRPKAMVUUOA-FMKPAKJESA-N 2 0 337.895 3.295 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000655816224 461471433 /nfs/dbraw/zinc/47/14/33/461471433.db2.gz ROSYJZCZVCYVLS-AQNXPRMDSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)C1 ZINC000653108162 461505097 /nfs/dbraw/zinc/50/50/97/461505097.db2.gz KVVZKUZLBZAAGF-UIAACRFSSA-N 2 0 341.499 3.388 10 0 EGAERP CN1CCC([NH+]2CCC(CC[N@H+](C)C[C@@H]3C[C@H]4C[C@H]4C3)CC2)CC1 ZINC000659992016 461534812 /nfs/dbraw/zinc/53/48/12/461534812.db2.gz FFESSWJOQSRYLP-ACDBMABISA-N 2 0 333.564 3.161 10 0 EGAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647171324 461540250 /nfs/dbraw/zinc/54/02/50/461540250.db2.gz FXVFFUUNQSTGSW-ROUUACIJSA-N 2 0 341.503 3.115 10 0 EGAERP OC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000663368863 461595218 /nfs/dbraw/zinc/59/52/18/461595218.db2.gz QADWBAGQAXXAQR-IBGZPJMESA-N 2 0 328.500 3.183 10 0 EGAERP CC1(C)CCCN(c2ccnc(N3CCC[C@H](n4ccnc4)C3)n2)C1 ZINC000656119084 461602791 /nfs/dbraw/zinc/60/27/91/461602791.db2.gz ULLBSYFNIGDTGD-INIZCTEOSA-N 2 0 340.475 3.141 10 0 EGAERP COc1ccc(Br)cc1C1(NC2CC[NH+](C)CC2)CC1 ZINC000647315231 461629357 /nfs/dbraw/zinc/62/93/57/461629357.db2.gz UHXVHXXEXVVCDL-UHFFFAOYSA-N 2 0 339.277 3.131 10 0 EGAERP COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201266 461646034 /nfs/dbraw/zinc/64/60/34/461646034.db2.gz MTQIZKJPYANQDQ-RIFZZMRRSA-N 2 0 332.488 3.283 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cn(-c2ccccc2)nc1-c1cccnc1 ZINC000663500102 461672479 /nfs/dbraw/zinc/67/24/79/461672479.db2.gz OHCAUZJVPPGAJK-HXUWFJFHSA-N 2 0 349.482 3.397 10 0 EGAERP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OCC(F)(F)F ZINC000663499293 461673637 /nfs/dbraw/zinc/67/36/37/461673637.db2.gz IJLXYIKILAFPMC-CYBMUJFWSA-N 2 0 334.382 3.099 10 0 EGAERP Fc1ccc(C(C[NH2+]CC23CC(C2)C[NH2+]3)c2ccc(F)cc2)cc1 ZINC000663501820 461674547 /nfs/dbraw/zinc/67/45/47/461674547.db2.gz YJDUNOXPNUAFKG-UHFFFAOYSA-N 2 0 328.406 3.438 10 0 EGAERP COc1ccc(Cn2nc(C)c(C[NH2+]CC[C@@H]([NH3+])C(C)C)c2C)cc1 ZINC000663502020 461674888 /nfs/dbraw/zinc/67/48/88/461674888.db2.gz CZUWMKHVMJOCGC-HXUWFJFHSA-N 2 0 344.503 3.020 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+]C[C@H](C)CC2CCCCC2)CC1 ZINC000663506876 461678136 /nfs/dbraw/zinc/67/81/36/461678136.db2.gz WRRQLHVOCDSKBX-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOC2CCC2)cc1 ZINC000656407183 461735566 /nfs/dbraw/zinc/73/55/66/461735566.db2.gz RAEZBDWCZOMFAO-UVUJQTEASA-N 2 0 340.511 3.398 10 0 EGAERP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000643466208 461736841 /nfs/dbraw/zinc/73/68/41/461736841.db2.gz CWLGKAOEOJAGDI-NUUXYWTLSA-N 2 0 332.492 3.305 10 0 EGAERP COc1ccc([C@@H](Nc2cnn(-c3cc[nH+]cc3)c2)[C@H]2CCC[NH2+]2)cc1 ZINC000643469362 461738482 /nfs/dbraw/zinc/73/84/82/461738482.db2.gz NTZCTYHYRJKVOZ-WOJBJXKFSA-N 2 0 349.438 3.181 10 0 EGAERP c1nc2c([nH]1)C[C@@H]([NH2+][C@H]1CCN(C3CC3)[C@H](c3ccccc3)C1)CC2 ZINC000639190774 461792186 /nfs/dbraw/zinc/79/21/86/461792186.db2.gz CJFMYWQSJHUAKK-FIKGOQFSSA-N 3 0 336.483 3.225 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953601 461886624 /nfs/dbraw/zinc/88/66/24/461886624.db2.gz BSUNXLTZMVRKDS-NHYWBVRUSA-N 2 0 341.268 3.251 10 0 EGAERP Fc1ccc(-n2cc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cn2)cc1 ZINC000656786499 461897191 /nfs/dbraw/zinc/89/71/91/461897191.db2.gz TWFZEAKRQRAAEJ-SFHVURJKSA-N 2 0 342.462 3.223 10 0 EGAERP Cc1ncsc1-c1ccc(C[NH2+]CCCC[NH+]2CCOCC2)cc1 ZINC000657313466 462038564 /nfs/dbraw/zinc/03/85/64/462038564.db2.gz RPVSMQJCHSLJKE-UHFFFAOYSA-N 2 0 345.512 3.321 10 0 EGAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNCc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657357377 462069186 /nfs/dbraw/zinc/06/91/86/462069186.db2.gz NAPRXCUSTVXRHE-KRWDZBQOSA-N 2 0 341.503 3.258 10 0 EGAERP Cc1c(Br)cncc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000657415028 462107128 /nfs/dbraw/zinc/10/71/28/462107128.db2.gz ZGPIDFLNTYKDOD-UHFFFAOYSA-N 2 0 340.309 3.363 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000657414435 462107985 /nfs/dbraw/zinc/10/79/85/462107985.db2.gz ONNDFFXOLURULK-QLOJAFMTSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@H]1C[C@H](CC[NH2+]Cc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415865 462108846 /nfs/dbraw/zinc/10/88/46/462108846.db2.gz ODELTFWJOIDRLG-HKUYNNGSSA-N 2 0 338.499 3.220 10 0 EGAERP c1cc(C[NH2+]C[C@@H]2CCC3(CCCCC3)O2)n(-c2cc[nH+]cc2)n1 ZINC000657449145 462132504 /nfs/dbraw/zinc/13/25/04/462132504.db2.gz ZRKQLUULNCOXFL-SFHVURJKSA-N 2 0 326.444 3.239 10 0 EGAERP COc1ccc([C@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667569657 462148789 /nfs/dbraw/zinc/14/87/89/462148789.db2.gz PGVMHRIPBGUKME-KRWDZBQOSA-N 2 0 334.423 3.265 10 0 EGAERP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657595363 462196046 /nfs/dbraw/zinc/19/60/46/462196046.db2.gz HEGSUDDYEYHNTK-IOMROCGXSA-N 2 0 328.500 3.335 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4ccccc4o3)cc2)C1 ZINC000657596531 462197641 /nfs/dbraw/zinc/19/76/41/462197641.db2.gz XFZXWRDVDLHSST-LJQANCHMSA-N 2 0 336.435 3.289 10 0 EGAERP Cc1ccccc1C[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597008 462199368 /nfs/dbraw/zinc/19/93/68/462199368.db2.gz QPRIOYWCGMNBEV-PGRDOPGGSA-N 2 0 338.495 3.282 10 0 EGAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@@H]3CCCSCC3)CC2)cc1 ZINC000657836930 462289837 /nfs/dbraw/zinc/28/98/37/462289837.db2.gz YEPRIPGLDUMNOY-HXUWFJFHSA-N 2 0 347.572 3.070 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000657838554 462290894 /nfs/dbraw/zinc/29/08/94/462290894.db2.gz CNSHAXCWHSYXFE-NSHGMRRFSA-N 2 0 340.552 3.166 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3[C@@H]4CCC[C@@H]4C3(C)C)cn2)CC1 ZINC000657839691 462292168 /nfs/dbraw/zinc/29/21/68/462292168.db2.gz ZBBPHSRMTUDKDQ-HBFSDRIKSA-N 2 0 342.531 3.138 10 0 EGAERP C[NH+](C)C1CCN(c2ccc(N[C@@H]3CCCSCC3)nc2)CC1 ZINC000657949753 462327451 /nfs/dbraw/zinc/32/74/51/462327451.db2.gz LQCSHJHIZKZLPT-OAHLLOKOSA-N 2 0 334.533 3.310 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263343 462376065 /nfs/dbraw/zinc/37/60/65/462376065.db2.gz KTXGIDDHGVMRBJ-FNHZYXHNSA-N 2 0 325.456 3.072 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]C1 ZINC000665276776 462379851 /nfs/dbraw/zinc/37/98/51/462379851.db2.gz MGINLRSUHYYNBA-SESVDKBCSA-N 3 0 341.543 3.266 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2cc(C)c(C)cc2C)CC1 ZINC000665285267 462384706 /nfs/dbraw/zinc/38/47/06/462384706.db2.gz IFXGUNHEXXOGLL-SFHVURJKSA-N 2 0 345.531 3.253 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)[C@@H](C)C2CCCCC2)CC1 ZINC000665287376 462385944 /nfs/dbraw/zinc/38/59/44/462385944.db2.gz JJEQQWTUNREVLY-SJORKVTESA-N 2 0 337.552 3.172 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](CCC(C)C)c2ccoc2)CC1 ZINC000665289827 462387000 /nfs/dbraw/zinc/38/70/00/462387000.db2.gz YEGAMLDNIXNAPE-IBGZPJMESA-N 2 0 349.519 3.337 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CCC[C@H](CC(C)C)C2)CC1 ZINC000665289875 462387409 /nfs/dbraw/zinc/38/74/09/462387409.db2.gz ZRAUMQGVBJGUBN-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1nccc2ccccc21 ZINC000658109307 462390070 /nfs/dbraw/zinc/39/00/70/462390070.db2.gz VOQGYIGFYTZNFA-DLBZAZTESA-N 2 0 328.504 3.157 10 0 EGAERP FC1(F)Oc2ccc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)cc2O1 ZINC000652041958 462415661 /nfs/dbraw/zinc/41/56/61/462415661.db2.gz ZHAUVUQFLPHQLC-UHFFFAOYSA-N 2 0 338.398 3.015 10 0 EGAERP Cc1cncc(CC[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)n1 ZINC000658262306 462446519 /nfs/dbraw/zinc/44/65/19/462446519.db2.gz QIYAICBBMNSOAJ-SFHVURJKSA-N 2 0 338.499 3.013 10 0 EGAERP COc1cc(NC(C)=O)ccc1[C@H](C)NCCC[N@H+](C)CC(C)C ZINC000652221965 462476880 /nfs/dbraw/zinc/47/68/80/462476880.db2.gz AXIWSFALJUCOQD-HNNXBMFYSA-N 2 0 335.492 3.282 10 0 EGAERP C[N@H+](CCN(Cc1ccccc1)C[C@H]1CC[NH2+]C1)Cc1ccccc1 ZINC000649414286 462502923 /nfs/dbraw/zinc/50/29/23/462502923.db2.gz QAFAJYMTUKOKIB-QFIPXVFZSA-N 2 0 337.511 3.230 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(F)F)cc2)CC1 ZINC000183939781 534077756 /nfs/dbraw/zinc/07/77/56/534077756.db2.gz RGMOJYOWLKHYCA-AWEZNQCLSA-N 2 0 326.431 3.149 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2ccc(C)nc2C)CC1 ZINC000187384286 536778457 /nfs/dbraw/zinc/77/84/57/536778457.db2.gz XJTRMKKLCVOHDX-UHFFFAOYSA-N 2 0 333.520 3.269 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693989 546708155 /nfs/dbraw/zinc/70/81/55/546708155.db2.gz UIZGWMDSBNLVLG-GHTZIAJQSA-N 3 0 329.532 3.361 10 0 EGAERP c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+][C@@H]2CC[N@@H+]4CCC[C@@H]4C2)C3)cc1 ZINC000679022339 549616795 /nfs/dbraw/zinc/61/67/95/549616795.db2.gz DATYIKYOXODCCE-XUVXKRRUSA-N 2 0 348.494 3.217 10 0 EGAERP CO[C@H]1CCC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000684371182 550321215 /nfs/dbraw/zinc/32/12/15/550321215.db2.gz MEIJOITXYCYQLP-FPOVZHCZSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C[C@@H]2CCOC2)C1 ZINC000685463954 550420608 /nfs/dbraw/zinc/42/06/08/550420608.db2.gz HQEXKSMEJXETRS-ROUUACIJSA-N 2 0 340.471 3.214 10 0 EGAERP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000169789834 1294373051 /nfs/dbraw/zinc/37/30/51/1294373051.db2.gz IPHZYWBQEUHPJP-HNNXBMFYSA-N 2 0 340.870 3.269 10 0 EGAERP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccnc(N2CC[NH+](C)CC2)c1 ZINC000872023394 1296665184 /nfs/dbraw/zinc/66/51/84/1296665184.db2.gz RMNLLNVSXYQLQW-HNNXBMFYSA-N 2 0 344.425 3.044 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+][C@@H]2CCOC3(CCCC3)C2)cc1 ZINC000872034981 1296685418 /nfs/dbraw/zinc/68/54/18/1296685418.db2.gz SVMBVOOVRBXMDD-LJQANCHMSA-N 2 0 346.515 3.251 10 0 EGAERP c1ccc2c(c1)CCCC[C@@H]([NH2+]C1CC[NH+](C[C@@H]3CCOC3)CC1)C2 ZINC000872040504 1296690024 /nfs/dbraw/zinc/69/00/24/1296690024.db2.gz ZLRUCPMQQZGTMS-PGRDOPGGSA-N 2 0 342.527 3.415 10 0 EGAERP O=C1OCC[C@H]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000872114820 1296740121 /nfs/dbraw/zinc/74/01/21/1296740121.db2.gz YGPBXJMEANSPDV-YSTOQKLRSA-N 2 0 342.483 3.115 10 0 EGAERP O=C1OCC[C@@H]1CCC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000872114817 1296740399 /nfs/dbraw/zinc/74/03/99/1296740399.db2.gz YGPBXJMEANSPDV-HAGHYFMRSA-N 2 0 342.483 3.115 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC2(OC(C)C)CCC2)[C@@H](C)C1 ZINC000872117575 1296743733 /nfs/dbraw/zinc/74/37/33/1296743733.db2.gz SOUSRGGDIRTYHF-ROUUACIJSA-N 2 0 326.525 3.061 10 0 EGAERP Cc1nccnc1[C@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000872131874 1296753873 /nfs/dbraw/zinc/75/38/73/1296753873.db2.gz AQLZQOAEVCRRLA-ZBFHGGJFSA-N 2 0 328.460 3.137 10 0 EGAERP COC(=O)[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397617585 1297701793 /nfs/dbraw/zinc/70/17/93/1297701793.db2.gz HPXVIFJHDIZVMU-VQTJNVASSA-N 2 0 344.499 3.220 10 0 EGAERP CC(C)[NH+]1CCC(N[C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000398079059 1297714356 /nfs/dbraw/zinc/71/43/56/1297714356.db2.gz GKGCCIAICJAQGG-WIYYLYMNSA-N 2 0 329.532 3.359 10 0 EGAERP [NH3+]CCCCCCCC(=O)NC[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000403734980 1297747179 /nfs/dbraw/zinc/74/71/79/1297747179.db2.gz QNFGFFHPUGNCQM-HXUWFJFHSA-N 2 0 345.531 3.314 10 0 EGAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCCCN1Cc1ccccc1 ZINC000719957626 1298324906 /nfs/dbraw/zinc/32/49/06/1298324906.db2.gz DSGASQJQOOJBNL-NRFANRHFSA-N 2 0 329.532 3.363 10 0 EGAERP c1ccc(C[NH+]2CCC[C@]3(CC[N@@H+](C[C@@H]4C[C@]45CCOC5)C3)C2)cc1 ZINC000886030319 1303325308 /nfs/dbraw/zinc/32/53/08/1303325308.db2.gz JCXFJYHRGOODEN-FKBYEOEOSA-N 2 0 340.511 3.401 10 0 EGAERP c1ccc(C[NH+]2CC[C@H]3C[N@@H+](CCC[C@H]4CCOC4)C[C@H]3C2)cc1 ZINC000886647855 1303538465 /nfs/dbraw/zinc/53/84/65/1303538465.db2.gz DUCVBRMDPMNTDZ-ACRUOGEOSA-N 2 0 328.500 3.257 10 0 EGAERP c1cc2c(c(CN3CC[C@H]4[C@@H](CCC[N@@H+]4C4CC4)C3)n1)CCCC2 ZINC000892235159 1305289372 /nfs/dbraw/zinc/28/93/72/1305289372.db2.gz LDIHYGLEHSLBKH-UWJYYQICSA-N 2 0 325.500 3.409 10 0 EGAERP C[NH+](C)CCCC[NH2+]CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894208309 1306278592 /nfs/dbraw/zinc/27/85/92/1306278592.db2.gz GDXIEHSOQZCUSZ-ALOPSCKCSA-N 2 0 339.524 3.096 10 0 EGAERP Oc1cccc2sc(C[NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)cc21 ZINC000894289907 1306322968 /nfs/dbraw/zinc/32/29/68/1306322968.db2.gz VTSUDMJWBGFSEE-CQSZACIVSA-N 2 0 346.496 3.197 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000915135923 1319431406 /nfs/dbraw/zinc/43/14/06/1319431406.db2.gz LZFMFZZPIFPPKX-GOSISDBHSA-N 2 0 335.536 3.118 10 0 EGAERP Cn1cc(C[NH2+]Cc2cccc(C[NH+](C)C)c2)c(C2CCCC2)n1 ZINC000921513889 1322335532 /nfs/dbraw/zinc/33/55/32/1322335532.db2.gz NFLLKTCIQWJABQ-UHFFFAOYSA-N 2 0 326.488 3.429 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)(c2ccccc2)CC1 ZINC000922315435 1322498434 /nfs/dbraw/zinc/49/84/34/1322498434.db2.gz CDOYEMGNTCEIRF-SFHLNBCPSA-N 2 0 342.527 3.445 10 0 EGAERP CCCC[N@H+](C[C@@H]1C[C@H]2COC[C@H]2O1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033555 1329033717 /nfs/dbraw/zinc/03/37/17/1329033717.db2.gz IESVFCZPFUDLDE-RYQLBKOJSA-N 2 0 338.536 3.202 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCN1Cc1ccccc1 ZINC000922718374 1322602031 /nfs/dbraw/zinc/60/20/31/1322602031.db2.gz UXDPOSNEDULOHQ-VLQCVTHLSA-N 2 0 326.484 3.220 10 0 EGAERP C[C@@H](CC(=O)Nc1ccccc1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848495 1322632440 /nfs/dbraw/zinc/63/24/40/1322632440.db2.gz UNTQOFGWZUZOKS-VQSBYGRUSA-N 2 0 329.488 3.400 10 0 EGAERP C[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)CC(=O)Nc1ccccc1Cl ZINC000923297613 1322728048 /nfs/dbraw/zinc/72/80/48/1322728048.db2.gz LOXFANOLLFJVIP-GOOCMWNKSA-N 2 0 335.879 3.131 10 0 EGAERP Cn1nc(CCC[N@H+](C)CCC[NH2+]C2CC2)cc1-c1ccc(F)cc1 ZINC000923308757 1322730621 /nfs/dbraw/zinc/73/06/21/1322730621.db2.gz GMXFLIHFVWEMEX-UHFFFAOYSA-N 2 0 344.478 3.233 10 0 EGAERP C[C@@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495695 1322761967 /nfs/dbraw/zinc/76/19/67/1322761967.db2.gz DZLXKBZRYHYQFR-VNHYZAJKSA-N 2 0 348.878 3.292 10 0 EGAERP C[C@]12CN(Cc3ccccc3)C[C@@]1(C)C[N@H+](C[C@H]1CCCOC1)C2 ZINC000931217738 1329072732 /nfs/dbraw/zinc/07/27/32/1329072732.db2.gz XJFHKWWFMDVIFL-NJYVYQBISA-N 2 0 328.500 3.257 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000924865890 1323193497 /nfs/dbraw/zinc/19/34/97/1323193497.db2.gz KASJAWPQJTVGOG-LJQANCHMSA-N 2 0 332.488 3.304 10 0 EGAERP COCCC[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000924911091 1323210200 /nfs/dbraw/zinc/21/02/00/1323210200.db2.gz AZTHZONNGQAWEF-UHFFFAOYSA-N 2 0 334.529 3.400 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000924956190 1323226707 /nfs/dbraw/zinc/22/67/07/1323226707.db2.gz VEBHLGULKQQRSN-UHFFFAOYSA-N 2 0 345.531 3.294 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCOC34CCCCC4)CC2)cc[nH+]1 ZINC000925301394 1325119001 /nfs/dbraw/zinc/11/90/01/1325119001.db2.gz VGDMPRINQUXXQJ-LJQANCHMSA-N 2 0 329.488 3.379 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)c2c1 ZINC000925485851 1325172872 /nfs/dbraw/zinc/17/28/72/1325172872.db2.gz DPVVERKODCKKAM-PZJWPPBQSA-N 2 0 341.499 3.477 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C1 ZINC000925510663 1325184839 /nfs/dbraw/zinc/18/48/39/1325184839.db2.gz ZPIFNJVVMKGDJA-OALUTQOASA-N 2 0 343.515 3.034 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)C[C@@H]([NH3+])C1 ZINC000925510662 1325184939 /nfs/dbraw/zinc/18/49/39/1325184939.db2.gz ZPIFNJVVMKGDJA-MOPGFXCFSA-N 2 0 343.515 3.034 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(OC)c1 ZINC000925513752 1325185987 /nfs/dbraw/zinc/18/59/87/1325185987.db2.gz AUKIGKMJQMZGRZ-MOPGFXCFSA-N 2 0 332.488 3.004 10 0 EGAERP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529105 1325192147 /nfs/dbraw/zinc/19/21/47/1325192147.db2.gz YWFRTNLYTQDWRZ-QEWYBTABSA-N 2 0 345.487 3.353 10 0 EGAERP CC[C@@H]1Oc2cc([C@H](C)[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)ccc2NC1=O ZINC000925529102 1325192475 /nfs/dbraw/zinc/19/24/75/1325192475.db2.gz YWFRTNLYTQDWRZ-FAYQHZLMSA-N 2 0 345.487 3.353 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)c2ccc(OC(F)(F)F)cc2)C1 ZINC000925530641 1325193368 /nfs/dbraw/zinc/19/33/68/1325193368.db2.gz GFKXPZUAIYSBAX-NFAWXSAZSA-N 2 0 346.393 3.114 10 0 EGAERP CCOc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1OC ZINC000925544375 1325199873 /nfs/dbraw/zinc/19/98/73/1325199873.db2.gz QLRFGVRTYIBXEY-ROUUACIJSA-N 2 0 332.488 3.352 10 0 EGAERP COc1ccc(C(C)(C)C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925550345 1325203453 /nfs/dbraw/zinc/20/34/53/1325203453.db2.gz RDVXCQRWMUVVMO-CVEARBPZSA-N 2 0 334.504 3.477 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925558769 1325208704 /nfs/dbraw/zinc/20/87/04/1325208704.db2.gz RDKHZPAZVBJXQF-KGLIPLIRSA-N 2 0 342.430 3.335 10 0 EGAERP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925584051 1325221310 /nfs/dbraw/zinc/22/13/10/1325221310.db2.gz OWCVXJZYJBWENB-WKPIXPDZSA-N 2 0 341.268 3.379 10 0 EGAERP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)C1 ZINC000925637498 1325242395 /nfs/dbraw/zinc/24/23/95/1325242395.db2.gz MNEVDJQOEMUMLQ-IAGOWNOFSA-N 2 0 345.531 3.134 10 0 EGAERP Fc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)c(F)c1F ZINC000925638239 1325242720 /nfs/dbraw/zinc/24/27/20/1325242720.db2.gz YXYZEHSCSBNBGY-GDBMZVCRSA-N 2 0 326.406 3.404 10 0 EGAERP CC1(C)[C@H]([NH2+][C@@H]2CCO[C@@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648096 1325245769 /nfs/dbraw/zinc/24/57/69/1325245769.db2.gz OJYRCMFPDQTGHP-IEWDOMPSSA-N 2 0 332.463 3.412 10 0 EGAERP C[C@@]1(CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000925654405 1325249145 /nfs/dbraw/zinc/24/91/45/1325249145.db2.gz LSIPWGZPQISGMU-SBHAEUEKSA-N 2 0 329.532 3.394 10 0 EGAERP CC(C)n1ncc2c1C[C@H]([NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)CC2 ZINC000925658086 1325252189 /nfs/dbraw/zinc/25/21/89/1325252189.db2.gz NCLYNLXJBUJZBO-GUDVDZBRSA-N 2 0 330.520 3.079 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925666055 1325254074 /nfs/dbraw/zinc/25/40/74/1325254074.db2.gz PLPZLJCUSRGFBJ-LEWJYISDSA-N 2 0 346.515 3.360 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@H]2CCCc3ncc(Br)cc32)CC1 ZINC000925706867 1325265635 /nfs/dbraw/zinc/26/56/35/1325265635.db2.gz KUEKOSOLBXPKLA-HNNXBMFYSA-N 2 0 336.277 3.073 10 0 EGAERP CC1(C)C[C@@H]([NH2+][C@H]2C[C@H](C(=O)OCc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925728223 1325272379 /nfs/dbraw/zinc/27/23/79/1325272379.db2.gz JYJVAHQIVSLANC-TVFCKZIOSA-N 2 0 330.472 3.004 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000925772701 1325294171 /nfs/dbraw/zinc/29/41/71/1325294171.db2.gz JFIWECFJPCAMAX-QRVBRYPASA-N 2 0 338.536 3.253 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H](c1cccnc1)c1ccc(F)cc1F ZINC000925795636 1325304530 /nfs/dbraw/zinc/30/45/30/1325304530.db2.gz HMGKXTBKOOEXAQ-LPMFXHHGSA-N 2 0 331.410 3.284 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c(Br)c1 ZINC000925800223 1325307466 /nfs/dbraw/zinc/30/74/66/1325307466.db2.gz XJDBQRPKXFVTDX-JHJVBQTASA-N 2 0 341.293 3.354 10 0 EGAERP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806752 1325308732 /nfs/dbraw/zinc/30/87/32/1325308732.db2.gz AGJKMHKOBIAEHW-MRXNPFEDSA-N 2 0 329.513 3.313 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)cc1 ZINC000925810101 1325311332 /nfs/dbraw/zinc/31/13/32/1325311332.db2.gz VTJSEUYOEPFRNQ-NRFANRHFSA-N 2 0 341.474 3.472 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCSc3ccc(Cl)cc32)CC1 ZINC000925814136 1325313299 /nfs/dbraw/zinc/31/32/99/1325313299.db2.gz GSUOJYCWOFYZQQ-MRXNPFEDSA-N 2 0 339.936 3.280 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H](CCc2ccccc2)c2ccccc2)CC1 ZINC000925813926 1325313426 /nfs/dbraw/zinc/31/34/26/1325313426.db2.gz DNVQSYFNTMVSNT-QFIPXVFZSA-N 2 0 337.511 3.373 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925816270 1325314544 /nfs/dbraw/zinc/31/45/44/1325314544.db2.gz XPDOXFBRHGGEFC-NHCUHLMSSA-N 2 0 345.531 3.123 10 0 EGAERP C[C@H](Cc1coc2ccccc12)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842289 1325323787 /nfs/dbraw/zinc/32/37/87/1325323787.db2.gz LEXXNWLHIWMAEZ-QGZVFWFLSA-N 2 0 329.488 3.029 10 0 EGAERP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCC2)cc1 ZINC000925850778 1325329867 /nfs/dbraw/zinc/32/98/67/1325329867.db2.gz QCSCXMCXCONKLR-OALUTQOASA-N 2 0 342.483 3.111 10 0 EGAERP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@H](CCC[NH3+])c3ccccc3)C2)n1 ZINC000925874123 1325338359 /nfs/dbraw/zinc/33/83/59/1325338359.db2.gz WDUYCJJADZVNNF-BRWVUGGUSA-N 2 0 328.460 3.338 10 0 EGAERP COC(=O)N1CCC[C@H]([C@@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926209123 1325472407 /nfs/dbraw/zinc/47/24/07/1325472407.db2.gz COSZIIITHXEUOG-MDZRGWNJSA-N 2 0 347.503 3.266 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CCCN3CCCC[C@@H]23)cc1 ZINC000926402089 1325541148 /nfs/dbraw/zinc/54/11/48/1325541148.db2.gz RZBPJIYWSKGWFE-UXHICEINSA-N 2 0 332.488 3.208 10 0 EGAERP COCC[C@H](COC)[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926452769 1325560845 /nfs/dbraw/zinc/56/08/45/1325560845.db2.gz HEWUJHRIAOSBSX-WVVQBRDUSA-N 2 0 346.515 3.213 10 0 EGAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693775 1327670118 /nfs/dbraw/zinc/67/01/18/1327670118.db2.gz PXILMCZQKMFEFO-UXHICEINSA-N 2 0 333.520 3.213 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@@H]3C)O2)CC1 ZINC000926879774 1327753676 /nfs/dbraw/zinc/75/36/76/1327753676.db2.gz WJCIZERZITXLEL-QGZVKYPTSA-N 2 0 338.536 3.059 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000927068970 1327840030 /nfs/dbraw/zinc/84/00/30/1327840030.db2.gz KKTQFBHOHRTCHO-LRQRDZAKSA-N 2 0 346.515 3.483 10 0 EGAERP COc1cc(C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc(OC)c1OC ZINC000865765566 1329736519 /nfs/dbraw/zinc/73/65/19/1329736519.db2.gz AGNBDWMUFVWSCO-UHFFFAOYSA-N 2 0 336.476 3.065 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cnc(C3CC3)nc2)(c2ccccc2)CC1 ZINC000865775067 1329737059 /nfs/dbraw/zinc/73/70/59/1329737059.db2.gz PZDYSAJYZVSWBB-UHFFFAOYSA-N 2 0 336.483 3.107 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000865835465 1329743697 /nfs/dbraw/zinc/74/36/97/1329743697.db2.gz RGUBNTPBQZFXQD-CENPHQPOSA-N 2 0 347.300 3.304 10 0 EGAERP C[NH+](C)C[C@@H]1CN(c2ccnc3ccc(Cl)cc32)C[C@H]1C[NH+](C)C ZINC000866012883 1329759085 /nfs/dbraw/zinc/75/90/85/1329759085.db2.gz UJQZPGCJMYMSNL-HUUCEWRRSA-N 2 0 346.906 3.064 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000866261404 1330087082 /nfs/dbraw/zinc/08/70/82/1330087082.db2.gz SSEUQENUIOAGQE-OXQOHEQNSA-N 2 0 333.495 3.066 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000866279320 1330089950 /nfs/dbraw/zinc/08/99/50/1330089950.db2.gz PNOMUJAKRPHOKD-YWZLYKJASA-N 2 0 333.495 3.065 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2cccc3cccc1c32 ZINC000866343370 1330099039 /nfs/dbraw/zinc/09/90/39/1330099039.db2.gz ZVTVQFPFZDYOCX-DYESRHJHSA-N 2 0 337.511 3.443 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868188044 1330260584 /nfs/dbraw/zinc/26/05/84/1330260584.db2.gz QTKGWDMQKCOLJU-AYOQOUSVSA-N 2 0 344.503 3.277 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CCC2CCCCC2)C2CC2)CC1 ZINC001323086626 1387285918 /nfs/dbraw/zinc/28/59/18/1387285918.db2.gz AXNKVTXYDZBYCU-HXUWFJFHSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001323287751 1387324780 /nfs/dbraw/zinc/32/47/80/1387324780.db2.gz UHUGARSGXPFWJT-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001323509067 1387379022 /nfs/dbraw/zinc/37/90/22/1387379022.db2.gz RAIPIBVMFPOLEW-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC2([NH2+]CC3CCC(C)CC3)CC2)CC1 ZINC001323582359 1387396318 /nfs/dbraw/zinc/39/63/18/1387396318.db2.gz GWDOBHCOLUYHJW-UHFFFAOYSA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCCC(C)(C)C)CC2 ZINC001323831397 1387468553 /nfs/dbraw/zinc/46/85/53/1387468553.db2.gz DWKIBDNZGADKPI-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323872244 1387484492 /nfs/dbraw/zinc/48/44/92/1387484492.db2.gz JOQZWDMJDXCDKI-OAQYLSRUSA-N 2 0 349.563 3.367 10 0 EGAERP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001323957646 1387500698 /nfs/dbraw/zinc/50/06/98/1387500698.db2.gz CHCAIBJBSKLTSA-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001324169426 1387550375 /nfs/dbraw/zinc/55/03/75/1387550375.db2.gz XGRAMHGMZAYHBZ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C1CCCC1 ZINC001324484568 1387642637 /nfs/dbraw/zinc/64/26/37/1387642637.db2.gz WTDIFTDHWTZEPM-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324517755 1387658839 /nfs/dbraw/zinc/65/88/39/1387658839.db2.gz MBLBVXYZUIKULZ-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@](C)(NC(=O)C[NH+]3CCCC3)C2)c1 ZINC001324671679 1387728821 /nfs/dbraw/zinc/72/88/21/1387728821.db2.gz GIGHSCRZFXWISZ-RXVVDRJESA-N 2 0 343.515 3.041 10 0 EGAERP CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001324903617 1387812111 /nfs/dbraw/zinc/81/21/11/1387812111.db2.gz BITFPHCXNNSDRI-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001324958601 1387852746 /nfs/dbraw/zinc/85/27/46/1387852746.db2.gz VASDHVOGYQUVBQ-QUCCMNQESA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001324971493 1387858436 /nfs/dbraw/zinc/85/84/36/1387858436.db2.gz JAVAPNQMYXMSKN-FPOVZHCZSA-N 2 0 345.531 3.308 10 0 EGAERP C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001324960677 1387855876 /nfs/dbraw/zinc/85/58/76/1387855876.db2.gz IGJDXAHWJKOJRK-GHTZIAJQSA-N 2 0 349.563 3.269 10 0 EGAERP OC[C@]12CCC[C@H]1[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)CC2 ZINC001197901034 1368921905 /nfs/dbraw/zinc/92/19/05/1368921905.db2.gz GEQMZINCYFIDAD-NHCUHLMSSA-N 2 0 328.500 3.409 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326273640 1388138719 /nfs/dbraw/zinc/13/87/19/1388138719.db2.gz WNQFPGFTVKAWGV-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@@H]1C[NH2+]CC1CCCC1)[NH+](CC)CC ZINC001326736412 1388294810 /nfs/dbraw/zinc/29/48/10/1388294810.db2.gz OXCBPRHMUPEHDH-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@@H]3CC[C@@H]4CCCC[N@@H+]43)CCC2)C1 ZINC001326844426 1388327283 /nfs/dbraw/zinc/32/72/83/1388327283.db2.gz PPMGYYXOTOBCHS-ROUUACIJSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC001327148568 1388405985 /nfs/dbraw/zinc/40/59/85/1388405985.db2.gz UAJOZDAZGODBOZ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCCC1)C(=O)C1([NH+](C)C)CCC1 ZINC001327212760 1388444727 /nfs/dbraw/zinc/44/47/27/1388444727.db2.gz HYTRWTBJRXVPET-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001327272027 1388476264 /nfs/dbraw/zinc/47/62/64/1388476264.db2.gz VAPYQKJUPGSETQ-ROUUACIJSA-N 2 0 325.541 3.077 10 0 EGAERP C[N@H+](CCCNC(=O)c1ccc(C[NH+]2CCCC2)o1)C1CCCCC1 ZINC001135623940 1377167782 /nfs/dbraw/zinc/16/77/82/1377167782.db2.gz SPJJSIVZTALNRE-UHFFFAOYSA-N 2 0 347.503 3.260 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC001266328021 1377275325 /nfs/dbraw/zinc/27/53/25/1377275325.db2.gz QXHRPHRQCLTXLN-SFHVURJKSA-N 2 0 343.515 3.030 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1ccc(C)cc1 ZINC001266579283 1377336399 /nfs/dbraw/zinc/33/63/99/1377336399.db2.gz LVCHJPWTCYAJGJ-KDURUIRLSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@@H](C)C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001266606719 1377342280 /nfs/dbraw/zinc/34/22/80/1377342280.db2.gz BDPUFLKIYWAIDL-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CC[C@H](C)C1 ZINC001266856140 1377396438 /nfs/dbraw/zinc/39/64/38/1377396438.db2.gz KCJXHOIXCFJHGA-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001267090076 1377411720 /nfs/dbraw/zinc/41/17/20/1377411720.db2.gz UVKMWRODTNMCTG-PMACEKPBSA-N 2 0 345.531 3.279 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267133581 1377416492 /nfs/dbraw/zinc/41/64/92/1377416492.db2.gz JKYINHOFBMJYBE-LLYBFZRZSA-N 2 0 328.460 3.097 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)(C)C ZINC001267250854 1377432728 /nfs/dbraw/zinc/43/27/28/1377432728.db2.gz XBDWKJBFTUSWFC-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@@H]2c2cccs2)CCCC1 ZINC001136929861 1377441598 /nfs/dbraw/zinc/44/15/98/1377441598.db2.gz RHJNLHPROUFQIF-RDJZCZTQSA-N 2 0 349.544 3.122 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001267473605 1377446459 /nfs/dbraw/zinc/44/64/59/1377446459.db2.gz LKBRXWYDJHJJQK-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001267473603 1377446481 /nfs/dbraw/zinc/44/64/81/1377446481.db2.gz LKBRXWYDJHJJQK-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001267873869 1377476192 /nfs/dbraw/zinc/47/61/92/1377476192.db2.gz MRGWDWOFFZZYHD-FPOVZHCZSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001268212660 1377495778 /nfs/dbraw/zinc/49/57/78/1377495778.db2.gz MKGNVWZABZPSKI-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741761 1377523595 /nfs/dbraw/zinc/52/35/95/1377523595.db2.gz YBPJVNBNBVJTJX-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001269730540 1377567084 /nfs/dbraw/zinc/56/70/84/1377567084.db2.gz RDSQUZDTTIOSPZ-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001327474138 1388528909 /nfs/dbraw/zinc/52/89/09/1388528909.db2.gz HNUDQJPMKORWSQ-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001272881308 1378081686 /nfs/dbraw/zinc/08/16/86/1378081686.db2.gz DTWNMLYXBPCOFO-PKOBYXMFSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001274340034 1378122606 /nfs/dbraw/zinc/12/26/06/1378122606.db2.gz PXOSSJOXCCWSQX-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCCC(C)(C)C)C2 ZINC001277473307 1378226400 /nfs/dbraw/zinc/22/64/00/1378226400.db2.gz BWZGETPGAYBGTR-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001280349942 1378342464 /nfs/dbraw/zinc/34/24/64/1378342464.db2.gz BPKBRYNDVUVNBA-VQIMIIECSA-N 2 0 331.504 3.236 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001281939474 1378459946 /nfs/dbraw/zinc/45/99/46/1378459946.db2.gz GUUDRSVVMLRNEI-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001282715105 1378573701 /nfs/dbraw/zinc/57/37/01/1378573701.db2.gz OLMYRCXUPDIHKD-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC001282810332 1378621924 /nfs/dbraw/zinc/62/19/24/1378621924.db2.gz IJCCGPZZCNUDDB-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834942 1378637391 /nfs/dbraw/zinc/63/73/91/1378637391.db2.gz XHCQYSUZGBUTEK-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)c1ccccc1 ZINC001283423912 1378913469 /nfs/dbraw/zinc/91/34/69/1378913469.db2.gz HLMUVOHWHHPPTB-UXHICEINSA-N 2 0 343.515 3.274 10 0 EGAERP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[C@H]3CC[NH+](C)C3)cc2C1 ZINC001327696326 1388586575 /nfs/dbraw/zinc/58/65/75/1388586575.db2.gz QQROMIJSRJULFY-FUHWJXTLSA-N 2 0 343.515 3.006 10 0 EGAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCCCCC1 ZINC001283633361 1379069105 /nfs/dbraw/zinc/06/91/05/1379069105.db2.gz ZIHJSJRNJXAIKA-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001283677963 1379105426 /nfs/dbraw/zinc/10/54/26/1379105426.db2.gz KUZYVZGMOCEAPZ-LPHOPBHVSA-N 2 0 333.520 3.087 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)CN1C(=O)CC[NH+](C)C ZINC001284005904 1379356972 /nfs/dbraw/zinc/35/69/72/1379356972.db2.gz YJLJQAZPZXFAFY-QFBILLFUSA-N 2 0 345.531 3.015 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001284056583 1379406903 /nfs/dbraw/zinc/40/69/03/1379406903.db2.gz HNTDEUXEJLKMGL-CTNGQTDRSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284059840 1379413549 /nfs/dbraw/zinc/41/35/49/1379413549.db2.gz YEKKGYIODIWHNG-SVFBPWRDSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001284059837 1379413642 /nfs/dbraw/zinc/41/36/42/1379413642.db2.gz YEKKGYIODIWHNG-IRFCIJBXSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001284104904 1379477713 /nfs/dbraw/zinc/47/77/13/1379477713.db2.gz ZVZWUKRLOFPVTD-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC1(C)C ZINC001284293540 1379681555 /nfs/dbraw/zinc/68/15/55/1379681555.db2.gz QMZNFYKEIYMDHZ-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001284295840 1379684440 /nfs/dbraw/zinc/68/44/40/1379684440.db2.gz MFNCPSQRYFOQRH-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)Cc1c(C)cccc1C)C(C)C)[NH+](C)C ZINC001284544554 1379952331 /nfs/dbraw/zinc/95/23/31/1379952331.db2.gz NNIPXDMDZCYREK-FQEVSTJZSA-N 2 0 347.547 3.312 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284598314 1379999318 /nfs/dbraw/zinc/99/93/18/1379999318.db2.gz NGFLZPOBQHMJBG-MSOLQXFVSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCC3CCCC3)CC2)C1 ZINC001328016885 1388645306 /nfs/dbraw/zinc/64/53/06/1388645306.db2.gz FDRPLPVQADFGBQ-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001284720394 1380140092 /nfs/dbraw/zinc/14/00/92/1380140092.db2.gz YKQNLTLHDGJGHD-DDUKWOAZSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001328052052 1388655106 /nfs/dbraw/zinc/65/51/06/1388655106.db2.gz YPUBRRCAXOKQMX-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](F)C[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001328051594 1388655122 /nfs/dbraw/zinc/65/51/22/1388655122.db2.gz WHXNXKCCHWLCOO-GOSISDBHSA-N 2 0 349.494 3.081 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001698611095 1406240579 /nfs/dbraw/zinc/24/05/79/1406240579.db2.gz VLSGXUCHYHDORF-HKUYNNGSSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001328786461 1388862778 /nfs/dbraw/zinc/86/27/78/1388862778.db2.gz OXWCMCATKCYVGZ-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001306833755 1383908554 /nfs/dbraw/zinc/90/85/54/1383908554.db2.gz RFCIJBWZHIZUIQ-QXAKKESOSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)C[C@@H]1CC[C@H]2C[C@H]2C1 ZINC001170196334 1384261627 /nfs/dbraw/zinc/26/16/27/1384261627.db2.gz ZAOCTUNIJHGUDK-BHIFYINESA-N 2 0 341.543 3.172 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H]2C[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001316640178 1384499722 /nfs/dbraw/zinc/49/97/22/1384499722.db2.gz TZHLEJRUZVKMEA-SAABIXHNSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316680624 1384521429 /nfs/dbraw/zinc/52/14/29/1384521429.db2.gz GVKKNTJDMLHPJM-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001316793317 1384585487 /nfs/dbraw/zinc/58/54/87/1384585487.db2.gz QECPMUWPMWUQII-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001316811340 1384608214 /nfs/dbraw/zinc/60/82/14/1384608214.db2.gz MKNMPXVYZFGOGA-KAGICYHLSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)CC(C)(C)C1 ZINC001316811924 1384610237 /nfs/dbraw/zinc/61/02/37/1384610237.db2.gz VOUWGXSWFLXFPB-GOSISDBHSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001316845393 1384634255 /nfs/dbraw/zinc/63/42/55/1384634255.db2.gz HOGBUVKSZOOVLE-SFHVURJKSA-N 2 0 345.531 3.144 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001317044326 1384818560 /nfs/dbraw/zinc/81/85/60/1384818560.db2.gz QKFOSHLBYSACRD-RURPWVQCSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001317049998 1384826835 /nfs/dbraw/zinc/82/68/35/1384826835.db2.gz PFMOHTYFVALUAN-MKXGPGLRSA-N 2 0 335.536 3.115 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001317091492 1384852926 /nfs/dbraw/zinc/85/29/26/1384852926.db2.gz WGWGTFSQSCCMBC-WGSAOQKQSA-N 2 0 345.531 3.081 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001317139255 1384905287 /nfs/dbraw/zinc/90/52/87/1384905287.db2.gz IIKBKIPEMWNKPY-QGZVFWFLSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317148125 1384915253 /nfs/dbraw/zinc/91/52/53/1384915253.db2.gz BGTVHXFNVIKBLT-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001317157502 1384921237 /nfs/dbraw/zinc/92/12/37/1384921237.db2.gz JFFHSBYBGCIOGQ-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317159560 1384923552 /nfs/dbraw/zinc/92/35/52/1384923552.db2.gz IFKOZZSYXYJKAX-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001317164637 1384927535 /nfs/dbraw/zinc/92/75/35/1384927535.db2.gz ZGVCXRRVYRZHQF-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CCCC(C)(C)C)C1 ZINC001317176174 1384948190 /nfs/dbraw/zinc/94/81/90/1384948190.db2.gz KLQDYEVMUVRLAM-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001317179027 1384953836 /nfs/dbraw/zinc/95/38/36/1384953836.db2.gz FYZACXWTHFPFRR-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001317186365 1384961100 /nfs/dbraw/zinc/96/11/00/1384961100.db2.gz NSVHIJMOVZWHNR-HSALFYBXSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317199927 1384975075 /nfs/dbraw/zinc/97/50/75/1384975075.db2.gz OKWVPBDIGILRJT-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317210242 1384989312 /nfs/dbraw/zinc/98/93/12/1384989312.db2.gz WKQPULDAGWPXIA-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001317416939 1385126610 /nfs/dbraw/zinc/12/66/10/1385126610.db2.gz ZKFFYRPYTGNSNF-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001317434892 1385138550 /nfs/dbraw/zinc/13/85/50/1385138550.db2.gz NQTPIIQNBFHKIQ-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001317504942 1385210497 /nfs/dbraw/zinc/21/04/97/1385210497.db2.gz KTQAHJHUMBIXDE-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001317506536 1385214047 /nfs/dbraw/zinc/21/40/47/1385214047.db2.gz BLLSBPBYMBJMDR-RTBURBONSA-N 2 0 345.531 3.287 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001317513857 1385227472 /nfs/dbraw/zinc/22/74/72/1385227472.db2.gz ZQEPHTCXPKFGNJ-UYAOXDASSA-N 2 0 345.531 3.033 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)[C@@H]1CC)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001317760164 1385449274 /nfs/dbraw/zinc/44/92/74/1385449274.db2.gz ZULQLDVOMJJJLG-CEXWTWQISA-N 2 0 337.552 3.076 10 0 EGAERP CCCN(C(=O)C[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317770657 1385460971 /nfs/dbraw/zinc/46/09/71/1385460971.db2.gz UECNJYAHDDMYMJ-HKUYNNGSSA-N 2 0 349.563 3.077 10 0 EGAERP CCCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001317770659 1385461358 /nfs/dbraw/zinc/46/13/58/1385461358.db2.gz UECNJYAHDDMYMJ-MJGOQNOKSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001317792020 1385484632 /nfs/dbraw/zinc/48/46/32/1385484632.db2.gz GROISSAPQNROIU-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001317802803 1385497768 /nfs/dbraw/zinc/49/77/68/1385497768.db2.gz MCQIWAKOKAQLFK-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001317811972 1385511499 /nfs/dbraw/zinc/51/14/99/1385511499.db2.gz SWAPZWRADJVNJN-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317943498 1385578634 /nfs/dbraw/zinc/57/86/34/1385578634.db2.gz LUZOELIGZVOTKA-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001318412805 1385679693 /nfs/dbraw/zinc/67/96/93/1385679693.db2.gz KNDQLJRMSSLDNQ-FNYRVFDFSA-N 2 0 335.536 3.140 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001318452045 1385697329 /nfs/dbraw/zinc/69/73/29/1385697329.db2.gz DEWIJLCMVGFGKE-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@](O)(C[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)c1ccccc1 ZINC001177009142 1385772396 /nfs/dbraw/zinc/77/23/96/1385772396.db2.gz YRXGXJXKSYJACT-BHIFYINESA-N 2 0 342.527 3.338 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001318979931 1385908197 /nfs/dbraw/zinc/90/81/97/1385908197.db2.gz XPSIBDGUXOYZNZ-NCXUSEDFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001318999461 1385918631 /nfs/dbraw/zinc/91/86/31/1385918631.db2.gz XHRSWZIWXQDHJR-FQEVSTJZSA-N 2 0 345.531 3.313 10 0 EGAERP CCC(CC)C[NH+]1CCC(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001319039657 1385941418 /nfs/dbraw/zinc/94/14/18/1385941418.db2.gz JUTQOPIJMSIEOI-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001319080942 1385955008 /nfs/dbraw/zinc/95/50/08/1385955008.db2.gz STNNTENHWHHRNG-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319455420 1386129218 /nfs/dbraw/zinc/12/92/18/1386129218.db2.gz SECYWQWYADJANF-MRDYICJFSA-N 2 0 343.515 3.009 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001319642478 1386227071 /nfs/dbraw/zinc/22/70/71/1386227071.db2.gz IYHYOKLJBKCGJZ-UXHICEINSA-N 2 0 345.531 3.182 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001319695584 1386256356 /nfs/dbraw/zinc/25/63/56/1386256356.db2.gz GOAFJPCKBPMULN-YZBXUTEPSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830800 1386323665 /nfs/dbraw/zinc/32/36/65/1386323665.db2.gz GPTBELDTPNCOSX-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001319868572 1386346262 /nfs/dbraw/zinc/34/62/62/1386346262.db2.gz LPHSCHOMBLQPGW-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH+](C)CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001319890041 1386367341 /nfs/dbraw/zinc/36/73/41/1386367341.db2.gz IPJBBRLCCVDQED-KDURUIRLSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919109 1386391055 /nfs/dbraw/zinc/39/10/55/1386391055.db2.gz SGNMKBMHQSNKRY-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1cccc2ccccc21 ZINC001319942869 1386405877 /nfs/dbraw/zinc/40/58/77/1386405877.db2.gz GNVIZZBVISERGQ-HXUWFJFHSA-N 2 0 341.499 3.022 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001319966958 1386423950 /nfs/dbraw/zinc/42/39/50/1386423950.db2.gz ASUDZARRKMPZFS-GOSISDBHSA-N 2 0 339.568 3.273 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320135006 1386531154 /nfs/dbraw/zinc/53/11/54/1386531154.db2.gz SZNBDQQBZOHXPV-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163874 1386542823 /nfs/dbraw/zinc/54/28/23/1386542823.db2.gz KIIGWLFWVKECDZ-RBUKOAKNSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001320369787 1386590189 /nfs/dbraw/zinc/59/01/89/1386590189.db2.gz BIPRLZJZWQASCX-LPHOPBHVSA-N 2 0 345.531 3.063 10 0 EGAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]Cc2ccsc2)ccc2c[nH+]cn21 ZINC001320474160 1386619320 /nfs/dbraw/zinc/61/93/20/1386619320.db2.gz NQHMMWFADRRLLM-CYBMUJFWSA-N 2 0 342.468 3.002 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001320476898 1386621254 /nfs/dbraw/zinc/62/12/54/1386621254.db2.gz SACVGZCJFYIZRQ-QGZVFWFLSA-N 2 0 335.536 3.070 10 0 EGAERP Cc1cc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001320523762 1386637364 /nfs/dbraw/zinc/63/73/64/1386637364.db2.gz QRWAYPDEQXOWQV-QUCCMNQESA-N 2 0 345.531 3.081 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)CC[NH+]1CCCCC1 ZINC001320930516 1386762268 /nfs/dbraw/zinc/76/22/68/1386762268.db2.gz ZIWJEBVMGJQFSW-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001698675142 1406323901 /nfs/dbraw/zinc/32/39/01/1406323901.db2.gz XWMLJSKUZPRHRO-PKOBYXMFSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)NC(=O)C[N@H+](C)C(C)C)cc1 ZINC001321755861 1386976041 /nfs/dbraw/zinc/97/60/41/1386976041.db2.gz HLGHCOSXBSQZJZ-SJORKVTESA-N 2 0 333.520 3.306 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCCC1 ZINC001322530733 1387201578 /nfs/dbraw/zinc/20/15/78/1387201578.db2.gz KDSJYQZQGLCREV-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC1CCC(C[NH2+]CCCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001322550183 1387204648 /nfs/dbraw/zinc/20/46/48/1387204648.db2.gz XNFSIGLKACRTKJ-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001322567604 1387206613 /nfs/dbraw/zinc/20/66/13/1387206613.db2.gz ZSTJMDIEJCSBSC-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001322843527 1387244795 /nfs/dbraw/zinc/24/47/95/1387244795.db2.gz CHXXMAKZLLLHAB-QZTJIDSGSA-N 2 0 345.531 3.060 10 0 EGAERP CN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001329256408 1389037449 /nfs/dbraw/zinc/03/74/49/1389037449.db2.gz DVBFZLRPWKNQSW-XEVCZEQESA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001329256739 1389038046 /nfs/dbraw/zinc/03/80/46/1389038046.db2.gz MOUUHSDFQLJFKQ-OFLPRAFFSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H]1C[N@H+](C)C[C@@H]1NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001330176516 1389327838 /nfs/dbraw/zinc/32/78/38/1389327838.db2.gz ZDKHATVJNPSMAS-FWZVCBSNSA-N 2 0 327.516 3.112 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3CCCC3)C[C@H]2C1 ZINC001330468097 1389423208 /nfs/dbraw/zinc/42/32/08/1389423208.db2.gz OOXQMMZSHQULNQ-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)N1CC2(C1)CCC[NH+](CC1CCCC1)C2)CC(C)(C)C ZINC001330501595 1389433406 /nfs/dbraw/zinc/43/34/06/1389433406.db2.gz GKGUWJXGBAIJBS-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@]2(C)C[NH+](CC3CCCCC3)C[C@]2(C)C1 ZINC001330539005 1389449342 /nfs/dbraw/zinc/44/93/42/1389449342.db2.gz UHDSNBQNHWZYOJ-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001330811159 1389534584 /nfs/dbraw/zinc/53/45/84/1389534584.db2.gz JKXFNIBJBHZMAS-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP CCCN(CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001331505455 1389774690 /nfs/dbraw/zinc/77/46/90/1389774690.db2.gz UWEAYYXNLBNIDM-HNNXBMFYSA-N 2 0 327.513 3.096 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332014285 1389946070 /nfs/dbraw/zinc/94/60/70/1389946070.db2.gz JRGQQCNQKDIWCU-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1ccccc1 ZINC001332855412 1390201497 /nfs/dbraw/zinc/20/14/97/1390201497.db2.gz CBLCISUSTASZOJ-MSOLQXFVSA-N 2 0 333.520 3.210 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCc1ccns1 ZINC001332883721 1390208903 /nfs/dbraw/zinc/20/89/03/1390208903.db2.gz AZHLKFOULIJGGD-MNZLEMJZSA-N 2 0 329.513 3.432 10 0 EGAERP C[C@@H](NC(=O)C[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001332960110 1390224463 /nfs/dbraw/zinc/22/44/63/1390224463.db2.gz MNNJKNPJSPXLNF-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP c1cc(C[NH2+]CC2(N3CCSCC3)CCCC2)c2c(c1)COCC2 ZINC001333145690 1390256461 /nfs/dbraw/zinc/25/64/61/1390256461.db2.gz WZRRXTWVPIYZJL-UHFFFAOYSA-N 2 0 346.540 3.211 10 0 EGAERP CC(C)C[NH+]1CCC(C2(NC(=O)CCCC[NH+]3CCCC3)CC2)CC1 ZINC001333190884 1390263942 /nfs/dbraw/zinc/26/39/42/1390263942.db2.gz HRKKSPQFFSSBRI-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C)CC[NH+](C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC001351558604 1391651963 /nfs/dbraw/zinc/65/19/63/1391651963.db2.gz OLNCZXDUFMPTJN-INIZCTEOSA-N 2 0 339.524 3.050 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001698825199 1406517408 /nfs/dbraw/zinc/51/74/08/1406517408.db2.gz PZKAXAOUZDKPCD-OAHLLOKOSA-N 2 0 349.544 3.360 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698827489 1406520596 /nfs/dbraw/zinc/52/05/96/1406520596.db2.gz BVWUMCMPLSDQJC-MOPGFXCFSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479260358 1392200053 /nfs/dbraw/zinc/20/00/53/1392200053.db2.gz VZOSXUZCMXWNCE-LJQANCHMSA-N 2 0 331.504 3.085 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001479470159 1392250462 /nfs/dbraw/zinc/25/04/62/1392250462.db2.gz HMJKPYAZCJXNFP-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001479562594 1392276539 /nfs/dbraw/zinc/27/65/39/1392276539.db2.gz VCARVUKLHQDTJL-HOJAQTOUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@@H]2C1 ZINC001479672276 1392313038 /nfs/dbraw/zinc/31/30/38/1392313038.db2.gz PHUGBOBCDRKMKJ-AQNXPRMDSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479686788 1392319294 /nfs/dbraw/zinc/31/92/94/1392319294.db2.gz TYYKPTYLNLWZOX-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479828889 1392415902 /nfs/dbraw/zinc/41/59/02/1392415902.db2.gz GLLFSFYKMJBDEC-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[N@H+](CCC(C)(C)C)C2CC2)CC1 ZINC001479878140 1392453525 /nfs/dbraw/zinc/45/35/25/1392453525.db2.gz OSHLZZHIVZRNAX-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479896571 1392465333 /nfs/dbraw/zinc/46/53/33/1392465333.db2.gz YABQMKHVHCUUGE-PXDRNWIDSA-N 2 0 349.563 3.386 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860228 1406569971 /nfs/dbraw/zinc/56/99/71/1406569971.db2.gz IEVRFVHFGVFQOH-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001480060465 1392556338 /nfs/dbraw/zinc/55/63/38/1392556338.db2.gz QTBFFRKJMCPRTA-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001480077739 1392567603 /nfs/dbraw/zinc/56/76/03/1392567603.db2.gz PCHYNEQOGSWGJZ-CKHBTRQNSA-N 2 0 349.563 3.243 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001480151037 1392602092 /nfs/dbraw/zinc/60/20/92/1392602092.db2.gz OBPYDVBJLPBAQU-WNOVQSLWSA-N 2 0 335.536 3.092 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCCC3)cc2)C1 ZINC001480156516 1392603426 /nfs/dbraw/zinc/60/34/26/1392603426.db2.gz LQOZBAUUTCUVNG-MXVIHJGJSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001480304651 1392668158 /nfs/dbraw/zinc/66/81/58/1392668158.db2.gz ZQQXSTPXDPKDMM-MSOLQXFVSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001480331066 1392690634 /nfs/dbraw/zinc/69/06/34/1392690634.db2.gz KNYHGPDRASXVAY-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001480368473 1392710578 /nfs/dbraw/zinc/71/05/78/1392710578.db2.gz XSVKUOVWPQZZGK-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001480374780 1392718114 /nfs/dbraw/zinc/71/81/14/1392718114.db2.gz WXTDZWLJTDIWIE-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001480405131 1392743371 /nfs/dbraw/zinc/74/33/71/1392743371.db2.gz MPRKEFUKDWRPTM-ACBHZAAOSA-N 2 0 337.552 3.170 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480646119 1392835243 /nfs/dbraw/zinc/83/52/43/1392835243.db2.gz OJXBHMJLZJDXJX-RURPWVQCSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]1CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC001480832259 1392972299 /nfs/dbraw/zinc/97/22/99/1392972299.db2.gz VBSHIYHPACVRBE-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP O=C(NCCC[C@H]1CCC[N@@H+]1CCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001480833986 1392975163 /nfs/dbraw/zinc/97/51/63/1392975163.db2.gz FXJAYMJYZASQHX-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001480835401 1392977605 /nfs/dbraw/zinc/97/76/05/1392977605.db2.gz ZILBSTGDOLYNHX-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001480952209 1393043141 /nfs/dbraw/zinc/04/31/41/1393043141.db2.gz ZOUKCJBTHGKFBE-UYAOXDASSA-N 2 0 345.531 3.287 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098517 1393119396 /nfs/dbraw/zinc/11/93/96/1393119396.db2.gz BHAYAZULZBHVPD-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001481173618 1393141687 /nfs/dbraw/zinc/14/16/87/1393141687.db2.gz KOMJERBUWYXNKC-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001481239605 1393152626 /nfs/dbraw/zinc/15/26/26/1393152626.db2.gz UFIRWFUZAVCPDW-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)CC1 ZINC001698918574 1406653404 /nfs/dbraw/zinc/65/34/04/1406653404.db2.gz ZMVBJZVRVSWRRU-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001481366474 1394206366 /nfs/dbraw/zinc/20/63/66/1394206366.db2.gz XZMQTCZJLAASAO-IBGZPJMESA-N 2 0 343.515 3.110 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490765840 1394328907 /nfs/dbraw/zinc/32/89/07/1394328907.db2.gz ITSZPHLLVAVFAI-AZUAARDMSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530408 1394386655 /nfs/dbraw/zinc/38/66/55/1394386655.db2.gz TXUROTJEQRAVKD-BGEOSOQGSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490980116 1394391209 /nfs/dbraw/zinc/39/12/09/1394391209.db2.gz BTUYZTAIVZNDPQ-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001491251385 1394491280 /nfs/dbraw/zinc/49/12/80/1394491280.db2.gz OITIDNFZNFZSDS-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001481904475 1394589487 /nfs/dbraw/zinc/58/94/87/1394589487.db2.gz QQXQWFOKLWSLKU-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001481976591 1394638275 /nfs/dbraw/zinc/63/82/75/1394638275.db2.gz HWVHMSVFDKYFJY-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481986806 1394649133 /nfs/dbraw/zinc/64/91/33/1394649133.db2.gz WMRXOWWKCRJJDX-BBIZLLLXSA-N 2 0 349.563 3.293 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001482022761 1394679799 /nfs/dbraw/zinc/67/97/99/1394679799.db2.gz LYASIYCWOMLIAB-GUDVDZBRSA-N 2 0 337.552 3.457 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)CCC1 ZINC001482058581 1394719953 /nfs/dbraw/zinc/71/99/53/1394719953.db2.gz AQPNCKZYLAKDQI-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001482228169 1394823039 /nfs/dbraw/zinc/82/30/39/1394823039.db2.gz NIRLXIYYIVKITK-AATRIKPKSA-N 2 0 335.536 3.093 10 0 EGAERP O=C(C[NH+]1CCCC1)NCC1([NH2+]CCC2CCCCCC2)CCCC1 ZINC001482237134 1394832782 /nfs/dbraw/zinc/83/27/82/1394832782.db2.gz UQNVSBPZUKZKBV-UHFFFAOYSA-N 2 0 349.563 3.461 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001482302241 1394877866 /nfs/dbraw/zinc/87/78/66/1394877866.db2.gz DMULTYWBOKXXKV-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482325396 1394896107 /nfs/dbraw/zinc/89/61/07/1394896107.db2.gz WTHCGGAKGPOWEB-QFBILLFUSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)C[N@@H+](C)C(C)C ZINC001482368737 1394931098 /nfs/dbraw/zinc/93/10/98/1394931098.db2.gz IWBWANIYWNHTGI-KRWDZBQOSA-N 2 0 333.520 3.087 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001482432725 1394993039 /nfs/dbraw/zinc/99/30/39/1394993039.db2.gz IDALENXPZUTOLV-SJORKVTESA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482450203 1395008663 /nfs/dbraw/zinc/00/86/63/1395008663.db2.gz UGVKPSDZNOVAMP-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H]2[C@@H](C)CCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001482501205 1395053560 /nfs/dbraw/zinc/05/35/60/1395053560.db2.gz MMJYQKGENCOXEG-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001483845044 1395111787 /nfs/dbraw/zinc/11/17/87/1395111787.db2.gz FQFACRURHMRDHW-IRFCIJBXSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)[C@@H](C)C1 ZINC001483916975 1395144276 /nfs/dbraw/zinc/14/42/76/1395144276.db2.gz GMALXQMFBNATOG-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001483935234 1395151424 /nfs/dbraw/zinc/15/14/24/1395151424.db2.gz QRXOZPLGIMDXGH-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115966 1395260437 /nfs/dbraw/zinc/26/04/37/1395260437.db2.gz YPUKMYBQVURRSH-PZJWPPBQSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1(C)CC[NH+](CCC2=CCCCC2)CC1 ZINC001484145391 1395281227 /nfs/dbraw/zinc/28/12/27/1395281227.db2.gz UPXTXQSHJVJIQU-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP CC(C)(C)CCC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001484147537 1395283534 /nfs/dbraw/zinc/28/35/34/1395283534.db2.gz VCWCVKRNHNEKAX-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C(C)C ZINC001698980513 1406756935 /nfs/dbraw/zinc/75/69/35/1406756935.db2.gz KHQRGSUXEGXMLL-VQTJNVASSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001484723966 1395487556 /nfs/dbraw/zinc/48/75/56/1395487556.db2.gz LTURTAGWUDIRLA-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc(C)c1C[NH+]1CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001484728557 1395491617 /nfs/dbraw/zinc/49/16/17/1395491617.db2.gz RFDZBKAGNDNPKE-IBGZPJMESA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1 ZINC001484810776 1395546583 /nfs/dbraw/zinc/54/65/83/1395546583.db2.gz KNDSDBIGEUHWDM-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001484815505 1395549871 /nfs/dbraw/zinc/54/98/71/1395549871.db2.gz MEDDNZNYXKFIQR-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001484829803 1395566837 /nfs/dbraw/zinc/56/68/37/1395566837.db2.gz LOYAXKZXZMNFBJ-HXUWFJFHSA-N 2 0 337.552 3.223 10 0 EGAERP CC[C@@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCC(C)C)C2)[NH+](C)C ZINC001484875571 1395579050 /nfs/dbraw/zinc/57/90/50/1395579050.db2.gz KARKABYRLJEIDX-IBGZPJMESA-N 2 0 331.504 3.005 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH+](C)[C@@H](C)c2ccccc2C)CC[N@@H+]1C ZINC001698987895 1406772576 /nfs/dbraw/zinc/77/25/76/1406772576.db2.gz ILXUWGFESVPGQR-YSIASYRMSA-N 2 0 345.531 3.177 10 0 EGAERP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001485262730 1395747826 /nfs/dbraw/zinc/74/78/26/1395747826.db2.gz RENBOULSWOEPNT-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCC1 ZINC001485342371 1395815443 /nfs/dbraw/zinc/81/54/43/1395815443.db2.gz RRFDSICMRNCNBJ-QFBILLFUSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC(C)(C)C ZINC001485357695 1395832284 /nfs/dbraw/zinc/83/22/84/1395832284.db2.gz LIKWQANXDWUZJX-IRXDYDNUSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CCCCC1 ZINC001485359047 1395834802 /nfs/dbraw/zinc/83/48/02/1395834802.db2.gz SKVKCKZBYJGPGO-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436846 1395904005 /nfs/dbraw/zinc/90/40/05/1395904005.db2.gz ADYSKZQZLYEYMM-OALUTQOASA-N 2 0 339.568 3.368 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)C[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001485456473 1395926825 /nfs/dbraw/zinc/92/68/25/1395926825.db2.gz USLICJXJRBIZDT-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485763562 1396139620 /nfs/dbraw/zinc/13/96/20/1396139620.db2.gz VSLFUDMOSUATAL-IBGZPJMESA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)C[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485768404 1396146675 /nfs/dbraw/zinc/14/66/75/1396146675.db2.gz NJUHKYAFODZJHS-FQEVSTJZSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[NH2+][C@H](CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001485785493 1396153516 /nfs/dbraw/zinc/15/35/16/1396153516.db2.gz FNLLGWRMZCHKPN-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001501392145 1396193760 /nfs/dbraw/zinc/19/37/60/1396193760.db2.gz WFVSEZVDYNQXGN-QSAAVLFXSA-N 2 0 347.547 3.282 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001502650872 1396213662 /nfs/dbraw/zinc/21/36/62/1396213662.db2.gz QFGHROIHKSMHHX-UHFFFAOYSA-N 2 0 343.515 3.293 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CCCC2CCCC2)C1 ZINC001492179010 1396313096 /nfs/dbraw/zinc/31/30/96/1396313096.db2.gz UMDXVBWBDDBAHR-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001494862086 1396501942 /nfs/dbraw/zinc/50/19/42/1396501942.db2.gz HDOWOQSKQIZKLJ-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)C1 ZINC001497255901 1396739632 /nfs/dbraw/zinc/73/96/32/1396739632.db2.gz OFNDRVMTAKNFQB-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497299684 1396745660 /nfs/dbraw/zinc/74/56/60/1396745660.db2.gz MVHSZNOQUCQOGB-INIZCTEOSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001689059308 1396861228 /nfs/dbraw/zinc/86/12/28/1396861228.db2.gz VWKCGOSZCIRLSV-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001689097015 1396903948 /nfs/dbraw/zinc/90/39/48/1396903948.db2.gz NCYBSMVOULNYBC-HOJAQTOUSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1C(C)C ZINC001689149533 1396949299 /nfs/dbraw/zinc/94/92/99/1396949299.db2.gz BUDVSULQZJZMFY-NMLBUPMWSA-N 2 0 349.563 3.076 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001689267073 1396998563 /nfs/dbraw/zinc/99/85/63/1396998563.db2.gz DENPQKFKDDQVGZ-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)C1CCC1 ZINC001498485366 1397030564 /nfs/dbraw/zinc/03/05/64/1397030564.db2.gz MCXRDVYNVLEDBJ-UYAOXDASSA-N 2 0 347.547 3.236 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001689352583 1403682749 /nfs/dbraw/zinc/68/27/49/1403682749.db2.gz JIVLIAYWXPMBKZ-XJDXJNMNSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001689365695 1403706628 /nfs/dbraw/zinc/70/66/28/1403706628.db2.gz LCAWMBIQBUZNCC-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001689812890 1404152456 /nfs/dbraw/zinc/15/24/56/1404152456.db2.gz UPVWAJRSAQBDNC-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001689812888 1404152625 /nfs/dbraw/zinc/15/26/25/1404152625.db2.gz UPVWAJRSAQBDNC-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccccc1C[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001689812791 1404153028 /nfs/dbraw/zinc/15/30/28/1404153028.db2.gz QWXTYVAQSRMFPA-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690108655 1404305131 /nfs/dbraw/zinc/30/51/31/1404305131.db2.gz KBGCAZCCEZHJKI-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)(C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001690162438 1404360682 /nfs/dbraw/zinc/36/06/82/1404360682.db2.gz HRQJLZXAZCKTFR-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001690189607 1404391092 /nfs/dbraw/zinc/39/10/92/1404391092.db2.gz XECVCOKCOSUISN-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690414393 1404546350 /nfs/dbraw/zinc/54/63/50/1404546350.db2.gz XKDWBBOMISZWJB-PHWHVTFISA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCCC1CCCC1 ZINC001690459349 1404589978 /nfs/dbraw/zinc/58/99/78/1404589978.db2.gz NTVRCPRNSNAEKH-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001690707857 1404694150 /nfs/dbraw/zinc/69/41/50/1404694150.db2.gz DXHFMGMAHGLMOT-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001690741698 1404704261 /nfs/dbraw/zinc/70/42/61/1404704261.db2.gz WOQDPQROVXWGNY-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001690757186 1404711289 /nfs/dbraw/zinc/71/12/89/1404711289.db2.gz CHQNBZIIRXOVRT-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690814477 1404748681 /nfs/dbraw/zinc/74/86/81/1404748681.db2.gz GMGSQILILSQFBJ-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001690845056 1404773370 /nfs/dbraw/zinc/77/33/70/1404773370.db2.gz XSKKCJVVXXIIHQ-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CCC(C)(C)C ZINC001690869058 1404787407 /nfs/dbraw/zinc/78/74/07/1404787407.db2.gz WMKRINMNDSPSPB-MRXNPFEDSA-N 2 0 333.520 3.282 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097225 1405033185 /nfs/dbraw/zinc/03/31/85/1405033185.db2.gz HYCQETWQSROJEZ-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001691156435 1405090576 /nfs/dbraw/zinc/09/05/76/1405090576.db2.gz WALMAZYCHLVKAC-KZNAEPCWSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001725748192 1426426072 /nfs/dbraw/zinc/42/60/72/1426426072.db2.gz VLEGJDXAUNLJPW-KRWDZBQOSA-N 2 0 339.568 3.416 10 0 EGAERP CC/C=C/CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001691411223 1405249554 /nfs/dbraw/zinc/24/95/54/1405249554.db2.gz DSUDNNDZQDHTJD-SHOKJUJBSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001691424046 1405259296 /nfs/dbraw/zinc/25/92/96/1405259296.db2.gz YKNBIEPZNFQFJJ-GOSISDBHSA-N 2 0 349.494 3.199 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691447251 1405274448 /nfs/dbraw/zinc/27/44/48/1405274448.db2.gz VNTINFKWLKNTKN-DHAGBVFISA-N 2 0 347.547 3.093 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1Cc1ccc(C(C)C)cc1 ZINC001691496165 1405303088 /nfs/dbraw/zinc/30/30/88/1405303088.db2.gz MYTBRFFJMJBGMZ-VQTJNVASSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001691623248 1405362954 /nfs/dbraw/zinc/36/29/54/1405362954.db2.gz PXUXAFPOJMRTEX-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691632805 1405370004 /nfs/dbraw/zinc/37/00/04/1405370004.db2.gz QOGURMUONOGQJS-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001691681585 1405416780 /nfs/dbraw/zinc/41/67/80/1405416780.db2.gz BFYUYEIHNZAANY-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001691689922 1405424596 /nfs/dbraw/zinc/42/45/96/1405424596.db2.gz NFKKZPLDHNUOAH-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C(C)C ZINC001691732528 1405455504 /nfs/dbraw/zinc/45/55/04/1405455504.db2.gz JIYZVIYVDHEGQP-LJQANCHMSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001691733396 1405456172 /nfs/dbraw/zinc/45/61/72/1405456172.db2.gz PNRLNUFAVYRXCH-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001691818781 1405533629 /nfs/dbraw/zinc/53/36/29/1405533629.db2.gz JZIRWCPYQZLENF-GFOMBABLSA-N 2 0 337.552 3.291 10 0 EGAERP C[N@H+](CC(=O)NCC[C@@H]1CC[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001691893904 1405616810 /nfs/dbraw/zinc/61/68/10/1405616810.db2.gz VXZIROLOGYCEBX-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](C[N@H+](C)CCC3CCCCC3)C2)CC1 ZINC001691976996 1405692629 /nfs/dbraw/zinc/69/26/29/1405692629.db2.gz XVDDINTVMHOKOQ-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCC1 ZINC001691984097 1405696784 /nfs/dbraw/zinc/69/67/84/1405696784.db2.gz ZWQXQJIDCBOJJM-GBESFXJTSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001692003839 1405720756 /nfs/dbraw/zinc/72/07/56/1405720756.db2.gz CTFCDZSFBHLQHU-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001692097975 1405770649 /nfs/dbraw/zinc/77/06/49/1405770649.db2.gz RVTSTOVPGHHGCG-DYXWJJEUSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001692104523 1405773591 /nfs/dbraw/zinc/77/35/91/1405773591.db2.gz SCTVRLFVFNJBPM-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001692257571 1405885757 /nfs/dbraw/zinc/88/57/57/1405885757.db2.gz JCCQVSCXXAWWHU-HEVSSNLLSA-N 2 0 349.563 3.388 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001731857098 1428092111 /nfs/dbraw/zinc/09/21/11/1428092111.db2.gz LGVVXVUFOVSYAA-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC(C)(C)C1 ZINC001692275556 1405907790 /nfs/dbraw/zinc/90/77/90/1405907790.db2.gz JRFRKXNBVGQLRN-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@H](CC)[NH+](CC)CC)C[C@@H]2C1 ZINC001692280713 1405917439 /nfs/dbraw/zinc/91/74/39/1405917439.db2.gz BTIFDHRZBLMFBQ-BKDSAOBHSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CCCC1 ZINC001732012125 1428226554 /nfs/dbraw/zinc/22/65/54/1428226554.db2.gz DDMOPXBPRULCCB-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568878 1406172483 /nfs/dbraw/zinc/17/24/83/1406172483.db2.gz GWCPVROLXFOMDA-VQTJNVASSA-N 2 0 345.531 3.148 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001698605823 1406233087 /nfs/dbraw/zinc/23/30/87/1406233087.db2.gz UBZJJSHGBZBKCV-VQTJNVASSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732024388 1428242876 /nfs/dbraw/zinc/24/28/76/1428242876.db2.gz KTGDUXAQLAUINY-OALUTQOASA-N 2 0 331.504 3.106 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732048080 1428285531 /nfs/dbraw/zinc/28/55/31/1428285531.db2.gz AHZZACNVAVIIQH-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001732082855 1428339087 /nfs/dbraw/zinc/33/90/87/1428339087.db2.gz FTVVBZANGPELOW-SJORKVTESA-N 2 0 349.494 3.007 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732170627 1428414363 /nfs/dbraw/zinc/41/43/63/1428414363.db2.gz OKVASTQPQGMOOS-DUIUGDAFSA-N 2 0 349.563 3.386 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001732175006 1428420523 /nfs/dbraw/zinc/42/05/23/1428420523.db2.gz FKVAWTWBAYIOCU-HXUWFJFHSA-N 2 0 347.547 3.286 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200308 1428450850 /nfs/dbraw/zinc/45/08/50/1428450850.db2.gz XKGAUAOBFBEMLA-RBUKOAKNSA-N 2 0 349.563 3.314 10 0 EGAERP CCC(CC)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001732295707 1428517890 /nfs/dbraw/zinc/51/78/90/1428517890.db2.gz JKUIKEZZUXUKIX-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001732313160 1428525333 /nfs/dbraw/zinc/52/53/33/1428525333.db2.gz PZZPSBWDFSVVEB-MXVIHJGJSA-N 2 0 345.531 3.161 10 0 EGAERP O=C(NCCC1CC[NH+](CCC2CC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001732324036 1428533041 /nfs/dbraw/zinc/53/30/41/1428533041.db2.gz ZUQOUUGWJWFVGR-WOJBJXKFSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732354819 1428545931 /nfs/dbraw/zinc/54/59/31/1428545931.db2.gz BHBVVKHWXLLPAQ-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC2 ZINC001732404811 1428568403 /nfs/dbraw/zinc/56/84/03/1428568403.db2.gz BZQIUQHOBVPIJJ-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001732490589 1428613625 /nfs/dbraw/zinc/61/36/25/1428613625.db2.gz NQUDSPNWVITBKB-HKUYNNGSSA-N 2 0 349.563 3.432 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732530100 1428650203 /nfs/dbraw/zinc/65/02/03/1428650203.db2.gz GFPVLOMAJIBSFD-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732534591 1428655499 /nfs/dbraw/zinc/65/54/99/1428655499.db2.gz XWGPKSISGZTGCI-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1CCCC1 ZINC001699141361 1412532085 /nfs/dbraw/zinc/53/20/85/1412532085.db2.gz UVAADUDZUYPNQI-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699186222 1412560392 /nfs/dbraw/zinc/56/03/92/1412560392.db2.gz DNXXNHOAQNMARQ-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccccc1Cl ZINC001699333870 1412645532 /nfs/dbraw/zinc/64/55/32/1412645532.db2.gz CDEQZMTTZAAMPZ-DZEZYYDTSA-N 2 0 349.906 3.005 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCCC1 ZINC001699443026 1412774462 /nfs/dbraw/zinc/77/44/62/1412774462.db2.gz SQWUCKVVKUBOAS-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001699451589 1412792251 /nfs/dbraw/zinc/79/22/51/1412792251.db2.gz VQSFPTUDLNDRNP-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1ccccc1Cl ZINC001699474965 1412866000 /nfs/dbraw/zinc/86/60/00/1412866000.db2.gz ZOKLBPXOVVCIGL-GJZGRUSLSA-N 2 0 339.911 3.178 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001699484764 1412880410 /nfs/dbraw/zinc/88/04/10/1412880410.db2.gz RBXGWKGWPWAKNY-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001699606895 1412970366 /nfs/dbraw/zinc/97/03/66/1412970366.db2.gz OPZXDQUFXHOSOC-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CCC(C)CC2)CC1 ZINC001699657064 1413039891 /nfs/dbraw/zinc/03/98/91/1413039891.db2.gz CGUKVOGNRRXQHI-CTWPCTMYSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699766319 1413171124 /nfs/dbraw/zinc/17/11/24/1413171124.db2.gz FLZGYNGOLIDBPI-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699767961 1413173119 /nfs/dbraw/zinc/17/31/19/1413173119.db2.gz YTFXTMGHXRUOGZ-XJDXJNMNSA-N 2 0 343.515 3.299 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC001699800103 1413210725 /nfs/dbraw/zinc/21/07/25/1413210725.db2.gz QPZIGLKRIOWMME-FXAWDEMLSA-N 2 0 345.531 3.352 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001699852630 1413281956 /nfs/dbraw/zinc/28/19/56/1413281956.db2.gz DZETXXHLLSMVGS-QUCCMNQESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001699868511 1413311522 /nfs/dbraw/zinc/31/15/22/1413311522.db2.gz MRTHLNLRMQJQKJ-TZIWHRDSSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CC3CCCC3)C2)CC[N@@H+]1C ZINC001699874380 1413327491 /nfs/dbraw/zinc/32/74/91/1413327491.db2.gz OERFSJJJQNWXDU-CUWPLCDZSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1 ZINC001700086297 1413497395 /nfs/dbraw/zinc/49/73/95/1413497395.db2.gz CDBMAKMNSJUDGS-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001700091908 1413505678 /nfs/dbraw/zinc/50/56/78/1413505678.db2.gz SMVRECLIXFSCGL-UHFFFAOYSA-N 2 0 345.531 3.123 10 0 EGAERP CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+]1CCCCC1 ZINC001700092278 1413506369 /nfs/dbraw/zinc/50/63/69/1413506369.db2.gz WZNUVCUMGKFEQO-UHFFFAOYSA-N 2 0 345.531 3.267 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001700184633 1413602548 /nfs/dbraw/zinc/60/25/48/1413602548.db2.gz MVRTVYVEDLNBHU-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001700187045 1413608863 /nfs/dbraw/zinc/60/88/63/1413608863.db2.gz HOIRIVZMASXSPQ-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001700199714 1413643121 /nfs/dbraw/zinc/64/31/21/1413643121.db2.gz ZCDGSBXLLGXFKA-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001700229788 1413687462 /nfs/dbraw/zinc/68/74/62/1413687462.db2.gz LVVVKQPUEBNYQF-NGXITPROSA-N 2 0 349.563 3.389 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC1(C)C)C1CCC1 ZINC001700291041 1413742934 /nfs/dbraw/zinc/74/29/34/1413742934.db2.gz FLWNNMJRZKDJHS-LJQANCHMSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001700326193 1413796228 /nfs/dbraw/zinc/79/62/28/1413796228.db2.gz LQAIHAJYTUUALA-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCCN1C(=O)CC[NH+](C)C ZINC001700356552 1413858898 /nfs/dbraw/zinc/85/88/98/1413858898.db2.gz IHRJYCJVSZKVPY-RBUKOAKNSA-N 2 0 349.494 3.151 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CC1CC(NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001700382110 1413908313 /nfs/dbraw/zinc/90/83/13/1413908313.db2.gz IOKWHIIQBFQPAH-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700419942 1413969124 /nfs/dbraw/zinc/96/91/24/1413969124.db2.gz AYVAKPQRQNLPLC-OALUTQOASA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700421675 1413971995 /nfs/dbraw/zinc/97/19/95/1413971995.db2.gz KBBWQHKCTKACGZ-IRXDYDNUSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)CC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001700434509 1414000180 /nfs/dbraw/zinc/00/01/80/1414000180.db2.gz LBZNPWWAVWHHRR-ACBHZAAOSA-N 2 0 337.552 3.265 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700435189 1414001240 /nfs/dbraw/zinc/00/12/40/1414001240.db2.gz DCOHBYQFFVWISF-UHFFFAOYSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001732573956 1428772190 /nfs/dbraw/zinc/77/21/90/1428772190.db2.gz SWDOHYWYYCOSMK-ZWKOTPCHSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC(C)(C)C)[NH+]1CCCCC1 ZINC001700487139 1414134699 /nfs/dbraw/zinc/13/46/99/1414134699.db2.gz IOYXGOQZDDGFGI-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CCCC[C@H](C[NH2+]CC=C(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700518535 1414172868 /nfs/dbraw/zinc/17/28/68/1414172868.db2.gz CHUOBPYMSINSRK-QGZVFWFLSA-N 2 0 342.487 3.487 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001700521884 1414178027 /nfs/dbraw/zinc/17/80/27/1414178027.db2.gz JVTNTGJYUASLRK-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[NH+](C)C1CCC1 ZINC001700524103 1414182612 /nfs/dbraw/zinc/18/26/12/1414182612.db2.gz DHWFDFQZJPIOJS-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC3CCCC3)C[C@H]2C1 ZINC001700617879 1414285396 /nfs/dbraw/zinc/28/53/96/1414285396.db2.gz UZWVFWSUZZGHGS-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C[C@@]2(C)C1 ZINC001700624253 1414296310 /nfs/dbraw/zinc/29/63/10/1414296310.db2.gz TUKBJWTVGZOEDX-SMBCEPQPSA-N 2 0 349.563 3.099 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001700633935 1414301754 /nfs/dbraw/zinc/30/17/54/1414301754.db2.gz KMVSEBNMIWJBGH-BRWVUGGUSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001700661933 1414321440 /nfs/dbraw/zinc/32/14/40/1414321440.db2.gz KFAPDBYCJYMTSX-NLWGTHIKSA-N 2 0 345.531 3.018 10 0 EGAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001732585504 1428798746 /nfs/dbraw/zinc/79/87/46/1428798746.db2.gz QARNBCVKPXQZSE-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001700688332 1414340976 /nfs/dbraw/zinc/34/09/76/1414340976.db2.gz DLACNKSADAVWGD-MJGOQNOKSA-N 2 0 335.536 3.236 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700750324 1414419653 /nfs/dbraw/zinc/41/96/53/1414419653.db2.gz AXKAXWKSHQWKBD-KOXHKMTQSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001700849433 1414497734 /nfs/dbraw/zinc/49/77/34/1414497734.db2.gz JDRQTQFLZXBEDF-FXAWDEMLSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCCCC1)CC2)[NH+](C)C ZINC001700867946 1414520623 /nfs/dbraw/zinc/52/06/23/1414520623.db2.gz PKOOOPIGYADMFF-SFHLNBCPSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)[C@H]1C ZINC001700888989 1414548230 /nfs/dbraw/zinc/54/82/30/1414548230.db2.gz RYTSPEFEVCMVKW-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001700923669 1414576175 /nfs/dbraw/zinc/57/61/75/1414576175.db2.gz OXNVFTTWVMMRMD-PWBPZBFBSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001700985293 1414627292 /nfs/dbraw/zinc/62/72/92/1414627292.db2.gz LSWQXCSPILHAMC-BRWVUGGUSA-N 2 0 325.541 3.027 10 0 EGAERP CCCCC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001701007452 1414664322 /nfs/dbraw/zinc/66/43/22/1414664322.db2.gz JJSJYJLBBHHEMK-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001701008561 1414666400 /nfs/dbraw/zinc/66/64/00/1414666400.db2.gz RDBXJGRKXNLESX-QZTJIDSGSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001732606685 1428861404 /nfs/dbraw/zinc/86/14/04/1428861404.db2.gz RJKHYMMFLIDJJN-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001732618753 1428881446 /nfs/dbraw/zinc/88/14/46/1428881446.db2.gz CSTFDGHBVCEFRZ-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001732703850 1428917074 /nfs/dbraw/zinc/91/70/74/1428917074.db2.gz ZGWWVGVPOZADEU-XLIONFOSSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001732728657 1428931847 /nfs/dbraw/zinc/93/18/47/1428931847.db2.gz KMLAPKVOIVYZFX-QZTJIDSGSA-N 2 0 345.531 3.136 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732799472 1428979461 /nfs/dbraw/zinc/97/94/61/1428979461.db2.gz CQQZGBJQQMUSKJ-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCCCCC2)C1 ZINC001732890556 1429029932 /nfs/dbraw/zinc/02/99/32/1429029932.db2.gz FTHNXUNNBBZDJM-AQKVLALTSA-N 2 0 349.563 3.341 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732953313 1429077589 /nfs/dbraw/zinc/07/75/89/1429077589.db2.gz BMNRFVLNTXRLOO-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733026862 1429145948 /nfs/dbraw/zinc/14/59/48/1429145948.db2.gz FSHWUBGBPHVOCB-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H]2CC[NH+]2CCCC(C)C)C1 ZINC001707051763 1417164759 /nfs/dbraw/zinc/16/47/59/1417164759.db2.gz SSWWKYZEEZPUTA-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001707068216 1417181653 /nfs/dbraw/zinc/18/16/53/1417181653.db2.gz YVIPCKMSFMDUCR-CALCHBBNSA-N 2 0 337.552 3.170 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001707122439 1417209920 /nfs/dbraw/zinc/20/99/20/1417209920.db2.gz AILPERRBXQXWLP-FQQSSWHASA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]CC1CCCC1 ZINC001707169882 1417228267 /nfs/dbraw/zinc/22/82/67/1417228267.db2.gz RKHYWGJGFYSFIX-RLLQIKCJSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001707234777 1417256205 /nfs/dbraw/zinc/25/62/05/1417256205.db2.gz OFFRLOPFPBVLMM-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707249018 1417265701 /nfs/dbraw/zinc/26/57/01/1417265701.db2.gz VKPYEQJZGPDHPH-XOIGSVRCSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)[C@H]2C)cs1 ZINC001707266998 1417273972 /nfs/dbraw/zinc/27/39/72/1417273972.db2.gz DOCUSHIIWOVBKO-AEFFLSMTSA-N 2 0 349.544 3.012 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1=CCCCC1 ZINC001707455170 1417358062 /nfs/dbraw/zinc/35/80/62/1417358062.db2.gz DFMSZWOURMKXTD-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001712950267 1417509003 /nfs/dbraw/zinc/50/90/03/1417509003.db2.gz GSRIOQULJJGFTQ-HKUYNNGSSA-N 2 0 331.504 3.060 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccsc1 ZINC001712952242 1417510342 /nfs/dbraw/zinc/51/03/42/1417510342.db2.gz JNZIIFYOMPRDFH-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP C[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)(C)C ZINC001712972292 1417526276 /nfs/dbraw/zinc/52/62/76/1417526276.db2.gz SJNHWOIEGMTZNP-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001713101728 1417655227 /nfs/dbraw/zinc/65/52/27/1417655227.db2.gz YRCDJKBSQMLBOY-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC2CC(C)(C)C2)C2CC2)C1 ZINC001713116673 1417681118 /nfs/dbraw/zinc/68/11/18/1417681118.db2.gz ILXVLLULVGARRK-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001713130354 1417703815 /nfs/dbraw/zinc/70/38/15/1417703815.db2.gz HNYNKBQQKLGZJD-GBESFXJTSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713132372 1417707618 /nfs/dbraw/zinc/70/76/18/1417707618.db2.gz YGRHHPFZYNRFOC-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001713169565 1417742554 /nfs/dbraw/zinc/74/25/54/1417742554.db2.gz IGAXHGMVIWDCKI-BHIYHBOVSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC1)[NH+]1CCCC1 ZINC001713182241 1417756829 /nfs/dbraw/zinc/75/68/29/1417756829.db2.gz KJYVEPVNNSTXCC-RAFMOHDBSA-N 2 0 347.547 3.019 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCC(C)(C)C)CC[C@@H]21 ZINC001713182584 1417757240 /nfs/dbraw/zinc/75/72/40/1417757240.db2.gz OXJVLYINFAHGDC-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713241642 1417827288 /nfs/dbraw/zinc/82/72/88/1417827288.db2.gz IPPMWFDEHBSUEZ-UYAOXDASSA-N 2 0 345.531 3.308 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001713279715 1417905520 /nfs/dbraw/zinc/90/55/20/1417905520.db2.gz SQBMOPRWUNUPRY-UYAOXDASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001713320451 1417944961 /nfs/dbraw/zinc/94/49/61/1417944961.db2.gz ACPNPPCTOZJIQC-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713344565 1417965922 /nfs/dbraw/zinc/96/59/22/1417965922.db2.gz SIBICBIKAYLEKH-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CCCCCC1 ZINC001713487092 1418181955 /nfs/dbraw/zinc/18/19/55/1418181955.db2.gz HSALAPUBLQCFEP-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001713517024 1418253066 /nfs/dbraw/zinc/25/30/66/1418253066.db2.gz BAIWKZCRIXUSGM-PKOBYXMFSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001713532959 1418283170 /nfs/dbraw/zinc/28/31/70/1418283170.db2.gz CUCPYYJHVNUCFQ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](CC2=CCCCC2)C2CC2)CC1 ZINC001713564380 1418371212 /nfs/dbraw/zinc/37/12/12/1418371212.db2.gz VQJGKXOQKOHEBI-UHFFFAOYSA-N 2 0 347.547 3.188 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)c1ccccc1CC[NH+](C)C ZINC001713618074 1418395690 /nfs/dbraw/zinc/39/56/90/1418395690.db2.gz LPBLTTKIZNLCAF-UHFFFAOYSA-N 2 0 345.531 3.033 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713674097 1418426744 /nfs/dbraw/zinc/42/67/44/1418426744.db2.gz QJJUKBNMXBEWKW-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001713710483 1418470125 /nfs/dbraw/zinc/47/01/25/1418470125.db2.gz MLBAZARTVKPRBR-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713738720 1418537273 /nfs/dbraw/zinc/53/72/73/1418537273.db2.gz KMAQCNRFVSZVGS-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713855328 1418652036 /nfs/dbraw/zinc/65/20/36/1418652036.db2.gz SRCNKJATFLNPCK-OALUTQOASA-N 2 0 347.547 3.044 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CCC2CCCCC2)C1 ZINC001713897014 1418694743 /nfs/dbraw/zinc/69/47/43/1418694743.db2.gz HRWLGJMSHDHSBL-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713957879 1418739235 /nfs/dbraw/zinc/73/92/35/1418739235.db2.gz NTJREWHKLCVZBQ-ZHALLVOQSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001713967900 1418747049 /nfs/dbraw/zinc/74/70/49/1418747049.db2.gz AAXFCUXUHWICJQ-BZSNNMDCSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001714003082 1418782564 /nfs/dbraw/zinc/78/25/64/1418782564.db2.gz AGAGZAJXBPOJTH-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714035989 1418824998 /nfs/dbraw/zinc/82/49/98/1418824998.db2.gz PGXDQAASWXZLMG-NYQZOWANSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001714070885 1418866130 /nfs/dbraw/zinc/86/61/30/1418866130.db2.gz CQYQVKXYPITSFS-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714081036 1418874500 /nfs/dbraw/zinc/87/45/00/1418874500.db2.gz QVSFDQDGFFTKNZ-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)[NH2+]CC1CCCC1 ZINC001714125666 1418930599 /nfs/dbraw/zinc/93/05/99/1418930599.db2.gz ZZDUGMKYSHNPGS-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714142640 1418945139 /nfs/dbraw/zinc/94/51/39/1418945139.db2.gz XGLOMXOJIYPKFA-VQTJNVASSA-N 2 0 343.515 3.204 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001714146021 1418950630 /nfs/dbraw/zinc/95/06/30/1418950630.db2.gz SUQGSJCPBLLZBH-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@](C)(C[NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001714176531 1418984262 /nfs/dbraw/zinc/98/42/62/1418984262.db2.gz PZQOQZMBBHNJLL-GHTZIAJQSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001714210796 1419010203 /nfs/dbraw/zinc/01/02/03/1419010203.db2.gz QLNOESMYXCMNDV-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001714275334 1419055598 /nfs/dbraw/zinc/05/55/98/1419055598.db2.gz YQVODHSYNGADBP-QGZVFWFLSA-N 2 0 347.547 3.382 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001714291033 1419069480 /nfs/dbraw/zinc/06/94/80/1419069480.db2.gz KFYVLSZDNXBQIA-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP CC(C)(C)CCC[NH2+]Cc1ccc(CNC(=O)C[NH+]2CCCC2)cc1 ZINC001714322906 1419101058 /nfs/dbraw/zinc/10/10/58/1419101058.db2.gz OZAUFAIECQYUJU-UHFFFAOYSA-N 2 0 345.531 3.315 10 0 EGAERP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001714344418 1419116195 /nfs/dbraw/zinc/11/61/95/1419116195.db2.gz KNKVCGDBKLDQQA-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001714368074 1419127427 /nfs/dbraw/zinc/12/74/27/1419127427.db2.gz WNPUSUZPAFTYCF-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001714390155 1419139137 /nfs/dbraw/zinc/13/91/37/1419139137.db2.gz BYPOMYSYUWPCKF-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001714406240 1419147592 /nfs/dbraw/zinc/14/75/92/1419147592.db2.gz GFYDVJINJSLJIC-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714408193 1419148860 /nfs/dbraw/zinc/14/88/60/1419148860.db2.gz PLFNWNQITPWHDI-MSOLQXFVSA-N 2 0 337.552 3.458 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001714413143 1419151225 /nfs/dbraw/zinc/15/12/25/1419151225.db2.gz VRUSXXMBFWNYTK-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001714444976 1419176914 /nfs/dbraw/zinc/17/69/14/1419176914.db2.gz DADJUCBLHCIHBH-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001714449670 1419182770 /nfs/dbraw/zinc/18/27/70/1419182770.db2.gz YJKPQYPBUUCCHC-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001714486169 1419209314 /nfs/dbraw/zinc/20/93/14/1419209314.db2.gz GLFYNSMVNIVRCF-UYAOXDASSA-N 2 0 347.547 3.182 10 0 EGAERP CC[C@H](F)C[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001714513509 1419240898 /nfs/dbraw/zinc/24/08/98/1419240898.db2.gz HRVUKUBHDSFKII-SFHVURJKSA-N 2 0 349.494 3.129 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001714520233 1419246052 /nfs/dbraw/zinc/24/60/52/1419246052.db2.gz LJKVPZXSMSARON-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714543288 1419268978 /nfs/dbraw/zinc/26/89/78/1419268978.db2.gz VHPWWAZNVHMSRE-HXUWFJFHSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@H](C)c2ccc(F)cc2)CC[N@@H+]1C ZINC001714582465 1419322590 /nfs/dbraw/zinc/32/25/90/1419322590.db2.gz BKFFLOWRARTLKJ-AYOQOUSVSA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001714583801 1419324342 /nfs/dbraw/zinc/32/43/42/1419324342.db2.gz PHLYPZTZUVEISM-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001714607012 1419365670 /nfs/dbraw/zinc/36/56/70/1419365670.db2.gz KGBBSDVDJRFHNT-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714622757 1419390078 /nfs/dbraw/zinc/39/00/78/1419390078.db2.gz MYPGBEQKMBNBES-MOPGFXCFSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001714648587 1419424990 /nfs/dbraw/zinc/42/49/90/1419424990.db2.gz TURAHMDZNDMQND-ROUUACIJSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCC2(CC2)CC1 ZINC001714652723 1419431500 /nfs/dbraw/zinc/43/15/00/1419431500.db2.gz ABJYXNYSIGQDNR-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769677 1419500610 /nfs/dbraw/zinc/50/06/10/1419500610.db2.gz FKYJDRPGJVVGCR-WMZOPIPTSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001714810782 1419521717 /nfs/dbraw/zinc/52/17/17/1419521717.db2.gz DOLSHJXJPFBHTO-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001714812151 1419523437 /nfs/dbraw/zinc/52/34/37/1419523437.db2.gz LDNZTSWPBZKQHI-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714862430 1419585358 /nfs/dbraw/zinc/58/53/58/1419585358.db2.gz GMMIAXXANPXEOM-ZMBJWTFHSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH+](C)CCC3CCCC3)C2)CC[N@@H+]1C ZINC001714895713 1419635841 /nfs/dbraw/zinc/63/58/41/1419635841.db2.gz MEODZEXRTMEHQR-SLFFLAALSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001714913662 1419661532 /nfs/dbraw/zinc/66/15/32/1419661532.db2.gz RIMBPYMCKWDSLK-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001714921859 1419674242 /nfs/dbraw/zinc/67/42/42/1419674242.db2.gz XZUZHIAMWBLEDD-CQQBRXBZSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CCCCC1 ZINC001714977984 1419712620 /nfs/dbraw/zinc/71/26/20/1419712620.db2.gz PISJRQXNPXGFLJ-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001715072265 1419807343 /nfs/dbraw/zinc/80/73/43/1419807343.db2.gz UNTMHXRSFBWFIE-QAPCUYQASA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)(C)C1CCC(C[N@@H+]2CC[C@@H]2CNC(=O)C[NH+]2CCCC2)CC1 ZINC001733232431 1429367561 /nfs/dbraw/zinc/36/75/61/1429367561.db2.gz BYAJJVWGYXGEBN-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC001715251461 1419976376 /nfs/dbraw/zinc/97/63/76/1419976376.db2.gz BGXSBSDIIDRKTD-GOSISDBHSA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001715301136 1420008764 /nfs/dbraw/zinc/00/87/64/1420008764.db2.gz CRJKANYDSIAKTB-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001715373751 1420069953 /nfs/dbraw/zinc/06/99/53/1420069953.db2.gz CYABEDBCNDFMIC-SFHVURJKSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715392917 1420090333 /nfs/dbraw/zinc/09/03/33/1420090333.db2.gz XNDVQZYSODVLNW-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CCCCC1 ZINC001715399028 1420096823 /nfs/dbraw/zinc/09/68/23/1420096823.db2.gz PISJRQXNPXGFLJ-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001715435981 1420122565 /nfs/dbraw/zinc/12/25/65/1420122565.db2.gz JKRQRSBGYDUPRB-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001715435980 1420122638 /nfs/dbraw/zinc/12/26/38/1420122638.db2.gz JKRQRSBGYDUPRB-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001715484056 1420164170 /nfs/dbraw/zinc/16/41/70/1420164170.db2.gz YDYVYDBAVAPXLI-SREVYHEPSA-N 2 0 349.563 3.388 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001715485448 1420165617 /nfs/dbraw/zinc/16/56/17/1420165617.db2.gz RJFYXRACJGZGMM-HDICACEKSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC2(CC2)CC1 ZINC001715540768 1420239081 /nfs/dbraw/zinc/23/90/81/1420239081.db2.gz ZHHLWBMHFFHONY-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CCC1CCCCC1 ZINC001715592365 1420262747 /nfs/dbraw/zinc/26/27/47/1420262747.db2.gz ZWNVFLNOULCPKW-SFHVURJKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CC[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001715655290 1420280540 /nfs/dbraw/zinc/28/05/40/1420280540.db2.gz MCESPXGHSQJUHU-QGZVFWFLSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001715730781 1420315148 /nfs/dbraw/zinc/31/51/48/1420315148.db2.gz SAPDBRQTBSSEMS-AZUAARDMSA-N 2 0 345.531 3.191 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(C)c1 ZINC001715820988 1420356627 /nfs/dbraw/zinc/35/66/27/1420356627.db2.gz DLAXXLOPEDZBML-CFPAGDMOSA-N 2 0 343.515 3.192 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001715861975 1420371720 /nfs/dbraw/zinc/37/17/20/1420371720.db2.gz GOFKPSRSVUANGE-TUYSUELWSA-N 2 0 339.483 3.115 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC001716075932 1420530582 /nfs/dbraw/zinc/53/05/82/1420530582.db2.gz TUQGTVOJJRAPBH-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716145714 1420540953 /nfs/dbraw/zinc/54/09/53/1420540953.db2.gz KTGYNNPUEDBCBE-QFBILLFUSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001716154674 1420543879 /nfs/dbraw/zinc/54/38/79/1420543879.db2.gz MDKSRAPAKPISNM-AWEZNQCLSA-N 2 0 330.476 3.177 10 0 EGAERP C[C@@H](CC[NH2+]CCCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164354 1420547380 /nfs/dbraw/zinc/54/73/80/1420547380.db2.gz RNOCVWJUEJKITB-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001716414886 1420644104 /nfs/dbraw/zinc/64/41/04/1420644104.db2.gz WRSVLBXXDPIKHM-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H](C)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001716491869 1420713243 /nfs/dbraw/zinc/71/32/43/1420713243.db2.gz HJQOUKUYOPKVSB-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)C ZINC001716636843 1420794486 /nfs/dbraw/zinc/79/44/86/1420794486.db2.gz MVWXFLOMOFLYTL-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+]1CCC1CCCCC1 ZINC001716653948 1420807730 /nfs/dbraw/zinc/80/77/30/1420807730.db2.gz SBNUXMUMOWQGMO-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001716682005 1420836322 /nfs/dbraw/zinc/83/63/22/1420836322.db2.gz ARBWUBAGMRUIHT-WHLIDYPQSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+]3CC[C@H](C)C3)CC2)C1 ZINC001716704650 1420859099 /nfs/dbraw/zinc/85/90/99/1420859099.db2.gz YOBTVHBUFXJFMN-AZUAARDMSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[C@@H]3CC[NH+](C)C3)CC2)C1 ZINC001716704567 1420859378 /nfs/dbraw/zinc/85/93/78/1420859378.db2.gz WVJBUIFCIQLZQK-ICSRJNTNSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001716864092 1420993627 /nfs/dbraw/zinc/99/36/27/1420993627.db2.gz ACDLWNXYSPKXOW-OANMOWAGSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001716889735 1421013591 /nfs/dbraw/zinc/01/35/91/1421013591.db2.gz VYQNSLFGUWLKGR-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@]1(CNC(=O)C23CCC[NH+]2CCC3)CCC[N@H+](CC2CCCC2)C1 ZINC001716895416 1421022131 /nfs/dbraw/zinc/02/21/31/1421022131.db2.gz BHFIUKVAQUQYJU-HXUWFJFHSA-N 2 0 347.547 3.023 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001717036561 1421090070 /nfs/dbraw/zinc/09/00/70/1421090070.db2.gz FSBLSYAUVFAUPH-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001717036787 1421090628 /nfs/dbraw/zinc/09/06/28/1421090628.db2.gz WLIHFKTVLAAFAC-HMTUNPETSA-N 2 0 347.547 3.140 10 0 EGAERP C[N@H+](CCC1CC1)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001717113152 1421116482 /nfs/dbraw/zinc/11/64/82/1421116482.db2.gz GGBFKPBHWFAKMR-HXUWFJFHSA-N 2 0 343.515 3.019 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001717123238 1421126075 /nfs/dbraw/zinc/12/60/75/1421126075.db2.gz QOODXDAXLJNPIP-MISYRCLQSA-N 2 0 349.563 3.173 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001717213008 1421188147 /nfs/dbraw/zinc/18/81/47/1421188147.db2.gz VXISAKZEVICYOM-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001717249082 1421220046 /nfs/dbraw/zinc/22/00/46/1421220046.db2.gz NYAHWXRGUBXWAZ-FQEVSTJZSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310200 1421253239 /nfs/dbraw/zinc/25/32/39/1421253239.db2.gz CPYDODWVNDNSFN-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717366047 1421301152 /nfs/dbraw/zinc/30/11/52/1421301152.db2.gz UPUXOZNXUUZKGS-SFHVURJKSA-N 2 0 337.552 3.364 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)CC(C)C)c1ccccc1 ZINC001717375655 1421317679 /nfs/dbraw/zinc/31/76/79/1421317679.db2.gz ZZVWKSSSSXRUTO-UXHICEINSA-N 2 0 345.531 3.258 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001717449312 1421379397 /nfs/dbraw/zinc/37/93/97/1421379397.db2.gz CYVZHMXJHGKWLX-WAYWQWQTSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCCC(C)C)C2)C1 ZINC001733296354 1429478716 /nfs/dbraw/zinc/47/87/16/1429478716.db2.gz GVLMDPRWHOMHDO-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001717486639 1421423632 /nfs/dbraw/zinc/42/36/32/1421423632.db2.gz BLXQNJFMTPURFE-QFBILLFUSA-N 2 0 343.531 3.216 10 0 EGAERP Cc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001717490021 1421427725 /nfs/dbraw/zinc/42/77/25/1421427725.db2.gz DMAQKIOSDKBPNO-AZUAARDMSA-N 2 0 345.531 3.194 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717530568 1421466927 /nfs/dbraw/zinc/46/69/27/1421466927.db2.gz RJHHJJXNPUYRDZ-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001717540328 1421480630 /nfs/dbraw/zinc/48/06/30/1421480630.db2.gz NNANYAOTWMXPGB-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001717582650 1421508773 /nfs/dbraw/zinc/50/87/73/1421508773.db2.gz NLSNEFXCIYLEQT-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]([NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC001717758655 1421621357 /nfs/dbraw/zinc/62/13/57/1421621357.db2.gz ZHDMULWYJLRRHM-CRAIPNDOSA-N 2 0 337.483 3.054 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001717804516 1421631043 /nfs/dbraw/zinc/63/10/43/1421631043.db2.gz FSYALOLSCKVOJC-XOIGSVRCSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCCCC1)CC2 ZINC001717839307 1421653617 /nfs/dbraw/zinc/65/36/17/1421653617.db2.gz FYOYCZWHVINNNU-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCC1CCCCC1 ZINC001717858205 1421670792 /nfs/dbraw/zinc/67/07/92/1421670792.db2.gz QEUGWTHADANWJZ-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+][C@@H]1CN(C(=O)c2ccc(CC[NH+](C)C)cc2)CC1(C)C ZINC001717900703 1421697280 /nfs/dbraw/zinc/69/72/80/1421697280.db2.gz OGPFNYXYLYYLHF-LJQANCHMSA-N 2 0 345.531 3.031 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001717960007 1421731902 /nfs/dbraw/zinc/73/19/02/1421731902.db2.gz UNISSUBSWOCQHU-IAGOWNOFSA-N 2 0 325.541 3.170 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001717961414 1421733176 /nfs/dbraw/zinc/73/31/76/1421733176.db2.gz JLLGYHSMXNJIGI-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001717980732 1421752238 /nfs/dbraw/zinc/75/22/38/1421752238.db2.gz JOYJVIGLWXENPC-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001717995209 1421763327 /nfs/dbraw/zinc/76/33/27/1421763327.db2.gz IZUWSAFZXFHUGQ-AOXYLHKXSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001717997088 1421764864 /nfs/dbraw/zinc/76/48/64/1421764864.db2.gz DRGBNWJFYWBEFS-VOTSOKGWSA-N 2 0 335.536 3.044 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1CC([NH2+]CCCC2CCC2)C1 ZINC001718000405 1421767478 /nfs/dbraw/zinc/76/74/78/1421767478.db2.gz KOZHNOXIRUKRDE-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1F)[NH+](CC)CC ZINC001733348245 1429529945 /nfs/dbraw/zinc/52/99/45/1429529945.db2.gz IKJMGXLMXDJNHJ-PKOBYXMFSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733411830 1429612419 /nfs/dbraw/zinc/61/24/19/1429612419.db2.gz ZZACYUQVLTXYFE-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)C(C)C)C1 ZINC001733418093 1429623421 /nfs/dbraw/zinc/62/34/21/1429623421.db2.gz UBGDTIUQQUWMLK-ICSRJNTNSA-N 2 0 331.504 3.059 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001733426512 1429633916 /nfs/dbraw/zinc/63/39/16/1429633916.db2.gz SZLNXULDCSMFQX-YLJYHZDGSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001733438927 1429646834 /nfs/dbraw/zinc/64/68/34/1429646834.db2.gz YDQQUYIUAOTKCS-UYAOXDASSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+](CC)CC ZINC001733460507 1429685399 /nfs/dbraw/zinc/68/53/99/1429685399.db2.gz CHOLUFHJOUAZGV-QUCCMNQESA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001733462632 1429690660 /nfs/dbraw/zinc/69/06/60/1429690660.db2.gz PPHTWZWTNCJTOB-QRMWTIMZSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)[NH+]1CCCCCC1 ZINC001723570514 1424469488 /nfs/dbraw/zinc/46/94/88/1424469488.db2.gz KFOWPBWYHLRVOC-SFHVURJKSA-N 2 0 347.547 3.380 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCC1)C2 ZINC001733519071 1429728983 /nfs/dbraw/zinc/72/89/83/1429728983.db2.gz WEKISGBIPZSXAW-UFYCRDLUSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C1CCC1 ZINC001723632048 1424499201 /nfs/dbraw/zinc/49/92/01/1424499201.db2.gz DXWJMDZNFIXQRW-MOPGFXCFSA-N 2 0 335.536 3.116 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001723872782 1424593316 /nfs/dbraw/zinc/59/33/16/1424593316.db2.gz GJABZLBNBKEBCG-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001724013745 1424627966 /nfs/dbraw/zinc/62/79/66/1424627966.db2.gz ALWSBJJLRGMYFY-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001724025798 1424633280 /nfs/dbraw/zinc/63/32/80/1424633280.db2.gz JLDWOZIDDCABOW-CALCHBBNSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537829 1429743972 /nfs/dbraw/zinc/74/39/72/1429743972.db2.gz IHUWUCSPKQIUJF-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CCCC1 ZINC001724089966 1424656741 /nfs/dbraw/zinc/65/67/41/1424656741.db2.gz UCIHADSHSHMMQB-SFHVURJKSA-N 2 0 337.552 3.312 10 0 EGAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173009 1424706745 /nfs/dbraw/zinc/70/67/45/1424706745.db2.gz GVIAJEZUXXSEKU-FPOVZHCZSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001724174500 1424709268 /nfs/dbraw/zinc/70/92/68/1424709268.db2.gz RDVJYBSRIZBTDK-APWZRJJASA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001724219277 1424739651 /nfs/dbraw/zinc/73/96/51/1424739651.db2.gz QACNMSJHGIWLIN-ZVDOUQERSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001724283250 1424772402 /nfs/dbraw/zinc/77/24/02/1424772402.db2.gz IEXVOGOROKLRHG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724545203 1424904526 /nfs/dbraw/zinc/90/45/26/1424904526.db2.gz AHAUJRCRVRMEOA-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001724613877 1424957425 /nfs/dbraw/zinc/95/74/25/1424957425.db2.gz PISWGYYWTJQLGM-YSTOQKLRSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001724741138 1425105478 /nfs/dbraw/zinc/10/54/78/1425105478.db2.gz IHXBARBAZVUHRK-APWZRJJASA-N 2 0 331.504 3.238 10 0 EGAERP CCCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001724741141 1425106301 /nfs/dbraw/zinc/10/63/01/1425106301.db2.gz IHXBARBAZVUHRK-VQIMIIECSA-N 2 0 331.504 3.238 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001724742537 1425110153 /nfs/dbraw/zinc/11/01/53/1425110153.db2.gz AYQGVKIUHXYRST-MJGOQNOKSA-N 2 0 345.531 3.341 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC001724750170 1425119946 /nfs/dbraw/zinc/11/99/46/1425119946.db2.gz RHPWGIWULSHTGO-VQIMIIECSA-N 2 0 349.494 3.043 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001724759197 1425129671 /nfs/dbraw/zinc/12/96/71/1425129671.db2.gz LCBCYRBZWLYNNV-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001724832218 1425177916 /nfs/dbraw/zinc/17/79/16/1425177916.db2.gz DHNUOIHZMFVFTI-UIHLLAOXSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001724843685 1425193262 /nfs/dbraw/zinc/19/32/62/1425193262.db2.gz NYWQKFZVPFGYHW-FHWLQOOXSA-N 2 0 337.552 3.268 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001724858652 1425237648 /nfs/dbraw/zinc/23/76/48/1425237648.db2.gz ZQONXHBBGSLSEG-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001724886199 1425269943 /nfs/dbraw/zinc/26/99/43/1425269943.db2.gz YKTYUEXEIHIYGW-VXOKQSJXSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[NH2+]C1(C)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001724955173 1425341413 /nfs/dbraw/zinc/34/14/13/1425341413.db2.gz MSJFQTPTLDHFJY-UHFFFAOYSA-N 2 0 337.533 3.050 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001725055061 1425490112 /nfs/dbraw/zinc/49/01/12/1425490112.db2.gz FILTXWZNCSZKAZ-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725108534 1425561834 /nfs/dbraw/zinc/56/18/34/1425561834.db2.gz MPDMGDPZDSNNQA-WOKGBUJHSA-N 2 0 345.531 3.161 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C)c1 ZINC001725144982 1425625635 /nfs/dbraw/zinc/62/56/35/1425625635.db2.gz CCVVIUDUDXATOD-SFHVURJKSA-N 2 0 347.547 3.390 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)CC2CCCCC2)C1 ZINC001725180882 1425705568 /nfs/dbraw/zinc/70/55/68/1425705568.db2.gz VKVQDQVCHTVLRJ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725245590 1425862972 /nfs/dbraw/zinc/86/29/72/1425862972.db2.gz WYFCYFFSNZGWNL-GOSISDBHSA-N 2 0 337.552 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCCC(C)(C)C)CC1(C)C ZINC001725292830 1425939922 /nfs/dbraw/zinc/93/99/22/1425939922.db2.gz NSLMLYQVOWLLHN-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001725427680 1426091491 /nfs/dbraw/zinc/09/14/91/1426091491.db2.gz MLKHANSIQMMYOH-FQEVSTJZSA-N 2 0 345.531 3.278 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H](C2CC2)N(C)C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001725450151 1426115676 /nfs/dbraw/zinc/11/56/76/1426115676.db2.gz AHKVHNAKPJXMHF-UHYCVJNDSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)CCCC[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001725512061 1426200577 /nfs/dbraw/zinc/20/05/77/1426200577.db2.gz ASOUUUPFARNPNG-YLJYHZDGSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001725579687 1426235807 /nfs/dbraw/zinc/23/58/07/1426235807.db2.gz CHICBDTVNSHCOR-IEBWSBKVSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001725590164 1426245737 /nfs/dbraw/zinc/24/57/37/1426245737.db2.gz LPMGIYAIFNORNO-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@]23CCC[C@@H]2[NH+](CCCC(C)(C)C)CC3)CC[N@@H+]1C ZINC001725611660 1426271776 /nfs/dbraw/zinc/27/17/76/1426271776.db2.gz YLDXGSMOELMPMX-WIRSXHRWSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCC(C)(C)C)CC2)[NH+](C)C ZINC001725612394 1426273026 /nfs/dbraw/zinc/27/30/26/1426273026.db2.gz WDIPKDJOOQWQOE-ABSDTBQOSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3=CCCCC3)[C@@H]2C1 ZINC001725642134 1426320612 /nfs/dbraw/zinc/32/06/12/1426320612.db2.gz ZRSFLAMSSUZEEC-XUVXKRRUSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)(C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001725649280 1426332142 /nfs/dbraw/zinc/33/21/42/1426332142.db2.gz GKUPWUGQDCDMRE-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001725664220 1426346392 /nfs/dbraw/zinc/34/63/92/1426346392.db2.gz PUCKJIMYUHXUPW-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001725753071 1426431585 /nfs/dbraw/zinc/43/15/85/1426431585.db2.gz BZNKPUGEAJWPJJ-SJLPKXTDSA-N 2 0 339.568 3.273 10 0 EGAERP C[C@H]([NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C)c1ccccc1F ZINC001725754771 1426434553 /nfs/dbraw/zinc/43/45/53/1426434553.db2.gz INRBATJRUSVNCI-MAUKXSAKSA-N 2 0 349.494 3.103 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1CC)C(C)(C)C ZINC001725756438 1426435868 /nfs/dbraw/zinc/43/58/68/1426435868.db2.gz JTQOYHBEVITCCA-NUQYTELCSA-N 2 0 337.552 3.338 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001725776663 1426460868 /nfs/dbraw/zinc/46/08/68/1426460868.db2.gz IZSWTGYQTZAZNO-DAWZGUTISA-N 2 0 337.552 3.265 10 0 EGAERP CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001725787098 1426472796 /nfs/dbraw/zinc/47/27/96/1426472796.db2.gz QOYXQCPHXIMPMO-SREVYHEPSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001725795816 1426481100 /nfs/dbraw/zinc/48/11/00/1426481100.db2.gz ANDYEWDENKAREI-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001731322478 1427263186 /nfs/dbraw/zinc/26/31/86/1427263186.db2.gz QLABNAZESRNLGC-FQEVSTJZSA-N 2 0 345.531 3.090 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001731524187 1427512775 /nfs/dbraw/zinc/51/27/75/1427512775.db2.gz DTEJZPOKWSTRFV-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]2CCCC[N@@H+]2CCC2=CCCCC2)CC1 ZINC001731538189 1427538963 /nfs/dbraw/zinc/53/89/63/1427538963.db2.gz KNYKNGHQEIFCHX-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCC1 ZINC001731543378 1427556556 /nfs/dbraw/zinc/55/65/56/1427556556.db2.gz WYPDWQXFCHIUEQ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001731550946 1427570583 /nfs/dbraw/zinc/57/05/83/1427570583.db2.gz YQIWXWDOKXUISP-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560367 1427595593 /nfs/dbraw/zinc/59/55/93/1427595593.db2.gz VXKMYPNNKOXPQM-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C2CCC(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001731573152 1427615500 /nfs/dbraw/zinc/61/55/00/1427615500.db2.gz CUSRCFGJHDTNBV-VIQWUECVSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001731601666 1427644811 /nfs/dbraw/zinc/64/48/11/1427644811.db2.gz OZCYDXLIOHWAPO-VQIMIIECSA-N 2 0 345.531 3.063 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c(C)c1 ZINC001731621434 1427672232 /nfs/dbraw/zinc/67/22/32/1427672232.db2.gz DAYJGIFOBJGEDX-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731663298 1427714941 /nfs/dbraw/zinc/71/49/41/1427714941.db2.gz PRGSHFKDIKGEIS-MJRGOJFPSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001731711253 1427769132 /nfs/dbraw/zinc/76/91/32/1427769132.db2.gz AMEGDDCDXUSWGQ-FHWLQOOXSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[C@H]2CCC[N@@H+]2CCC(C)(C)C)CCC1 ZINC001731750627 1427844662 /nfs/dbraw/zinc/84/46/62/1427844662.db2.gz KVVHLCAYXXXDOA-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001731750341 1427845562 /nfs/dbraw/zinc/84/55/62/1427845562.db2.gz GWNLICYGORYQCV-HKUYNNGSSA-N 2 0 335.536 3.164 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCNC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001731789801 1427929395 /nfs/dbraw/zinc/92/93/95/1427929395.db2.gz SGODKXXFCDRWRF-LJQANCHMSA-N 2 0 345.531 3.144 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001731850182 1428077617 /nfs/dbraw/zinc/07/76/17/1428077617.db2.gz LMPWZLDUWQGGGK-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CC(C)(C)C1 ZINC001731864460 1428109691 /nfs/dbraw/zinc/10/96/91/1428109691.db2.gz JRZJWDKWDYUADO-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CC(C)(C)C1 ZINC001731870294 1428125017 /nfs/dbraw/zinc/12/50/17/1428125017.db2.gz WVZTUFUKSPIRGA-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CCC(C)(C)C ZINC001731870816 1428127461 /nfs/dbraw/zinc/12/74/61/1428127461.db2.gz PSSITAONHIZPNS-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001731985734 1428196847 /nfs/dbraw/zinc/19/68/47/1428196847.db2.gz DGBKIMVHEWUMSW-QZTJIDSGSA-N 2 0 345.531 3.231 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001733581838 1429786067 /nfs/dbraw/zinc/78/60/67/1429786067.db2.gz ZNWKMSBNBSFBRN-BGYRXZFFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCC1=CCCCC1 ZINC001733603339 1429811413 /nfs/dbraw/zinc/81/14/13/1429811413.db2.gz SYSZIEAEBJVVDX-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733667571 1429861522 /nfs/dbraw/zinc/86/15/22/1429861522.db2.gz WPMYDCQAZDYQQI-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677605 1429876013 /nfs/dbraw/zinc/87/60/13/1429876013.db2.gz RYOBAASKQVKMTE-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1CC2(CCC2)C1 ZINC001733773065 1430010174 /nfs/dbraw/zinc/01/01/74/1430010174.db2.gz SBQMOEAGIPNSNL-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C)([NH2+]C/C=C/c2ccccc2)CC1 ZINC001733869482 1437696005 /nfs/dbraw/zinc/69/60/05/1437696005.db2.gz JXNRIBSFIHZEOV-DHZHZOJOSA-N 2 0 343.515 3.011 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001733872150 1437698243 /nfs/dbraw/zinc/69/82/43/1437698243.db2.gz LRDUANJAKQDQIV-OPDSQHBBSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)CC[N@H+](C)CC)CC2)CC1 ZINC001733910809 1437729253 /nfs/dbraw/zinc/72/92/53/1437729253.db2.gz BWDQMFQPXPLDJO-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CC(CC)CC ZINC001733928738 1437741676 /nfs/dbraw/zinc/74/16/76/1437741676.db2.gz KYBYGHIFBIUJAS-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCC1CCCC1 ZINC001733931102 1437744324 /nfs/dbraw/zinc/74/43/24/1437744324.db2.gz VRGVNYOKACDKFA-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001733941946 1437758309 /nfs/dbraw/zinc/75/83/09/1437758309.db2.gz RSUKWWDILSQSGZ-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733992323 1437787094 /nfs/dbraw/zinc/78/70/94/1437787094.db2.gz IUYWMYZHRYZHMD-CVEARBPZSA-N 2 0 331.504 3.035 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001733996445 1437790063 /nfs/dbraw/zinc/79/00/63/1437790063.db2.gz UPHQYOOVDQGOLP-DLBZAZTESA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccsc1 ZINC001734041196 1437830070 /nfs/dbraw/zinc/83/00/70/1437830070.db2.gz WKVSVYNXAMKUBC-QAPCUYQASA-N 2 0 349.544 3.092 10 0 EGAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)Cc1ccsc1 ZINC001734055625 1437846322 /nfs/dbraw/zinc/84/63/22/1437846322.db2.gz RPXPKYRAILRHRD-OAHLLOKOSA-N 2 0 345.512 3.060 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1(C[NH2+]C/C=C/Cl)CCCCC1 ZINC001734092347 1437876785 /nfs/dbraw/zinc/87/67/85/1437876785.db2.gz KEIWJOJOAYNFKF-YRNVUSSQSA-N 2 0 341.927 3.024 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001734143413 1437911866 /nfs/dbraw/zinc/91/18/66/1437911866.db2.gz STBVBBHBQHCMQZ-YQJUVHNHSA-N 2 0 335.536 3.042 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001734194657 1437935368 /nfs/dbraw/zinc/93/53/68/1437935368.db2.gz UENFPZDYPYWNER-HSALFYBXSA-N 2 0 349.563 3.124 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001734269761 1437995802 /nfs/dbraw/zinc/99/58/02/1437995802.db2.gz LRLMZJCADQSSRO-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001734334191 1438057089 /nfs/dbraw/zinc/05/70/89/1438057089.db2.gz PRWZHRGBJMMHOM-HPFMTEOYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001734339234 1438060239 /nfs/dbraw/zinc/06/02/39/1438060239.db2.gz LSJOZKPOZNBGPP-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734429982 1438093976 /nfs/dbraw/zinc/09/39/76/1438093976.db2.gz FYFRDIPNVQLIGI-XOIGSVRCSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001734438944 1438101191 /nfs/dbraw/zinc/10/11/91/1438101191.db2.gz OMKKSTVXAYDQEK-PXNSSMCTSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481872 1438127315 /nfs/dbraw/zinc/12/73/15/1438127315.db2.gz MSVDVWMUJAUHLV-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001734488840 1438129742 /nfs/dbraw/zinc/12/97/42/1438129742.db2.gz SGQKQEZAIYZKOU-YLJYHZDGSA-N 2 0 343.515 3.203 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC[NH+](C)[C@H]1CCc2ccccc21)C(C)C ZINC001734554990 1438154025 /nfs/dbraw/zinc/15/40/25/1438154025.db2.gz VWPBVAKSAXPSKE-FQEVSTJZSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001734571439 1438165342 /nfs/dbraw/zinc/16/53/42/1438165342.db2.gz URAZKXNDNOILEV-QZTJIDSGSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C(C)(C)C ZINC001734572575 1438166252 /nfs/dbraw/zinc/16/62/52/1438166252.db2.gz BFMSSKONVUCMIO-JXFKEZNVSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001734577112 1438169748 /nfs/dbraw/zinc/16/97/48/1438169748.db2.gz UQXKTSQVWVWVCH-IBGZPJMESA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001734576866 1438169777 /nfs/dbraw/zinc/16/97/77/1438169777.db2.gz PWOLRECCYQKMAE-MSOLQXFVSA-N 2 0 337.552 3.194 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@H](C)NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001734583898 1438174600 /nfs/dbraw/zinc/17/46/00/1438174600.db2.gz GQJAZGPEJZAMBH-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[NH+](C)C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001750931861 1440113582 /nfs/dbraw/zinc/11/35/82/1440113582.db2.gz ZVTNVXLWBBMVIA-FQEVSTJZSA-N 2 0 345.531 3.148 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+](CC)CC ZINC001750945004 1440117915 /nfs/dbraw/zinc/11/79/15/1440117915.db2.gz QGYIONVBOYGGIZ-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C2CCC2)CC(C)(C)C1 ZINC001750946078 1440118940 /nfs/dbraw/zinc/11/89/40/1440118940.db2.gz ARUXSHIIPSJWDK-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH3+])c1cc(Br)ccc1OCCC[NH+]1CCCC1 ZINC000052066787 214114488 /nfs/dbraw/zinc/11/44/88/214114488.db2.gz CLANOXCBAXDCRI-GFCCVEGCSA-N 2 0 327.266 3.334 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](CCO)c1ccccc1 ZINC000346199079 282250730 /nfs/dbraw/zinc/25/07/30/282250730.db2.gz KSBKUGAXFDRMSC-HXUWFJFHSA-N 2 0 336.439 3.131 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C)[C@@H](c1ccccc1)N(C)C ZINC000349601172 282251706 /nfs/dbraw/zinc/25/17/06/282251706.db2.gz RQPMAWCZUXDQFI-UWJYYQICSA-N 2 0 349.482 3.357 10 0 EGAERP [NH3+]C[C@@H]1Cc2cc(Cl)cc(-c3ccc(C[NH+]4CCCC4)cn3)c2O1 ZINC000067772481 215209965 /nfs/dbraw/zinc/20/99/65/215209965.db2.gz CALZTZGEOSWGML-INIZCTEOSA-N 2 0 343.858 3.260 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccccc2N2CCOCC2)CC1 ZINC000350178088 284583197 /nfs/dbraw/zinc/58/31/97/284583197.db2.gz WRNZJUZLNMRSOO-UHFFFAOYSA-N 2 0 345.531 3.077 10 0 EGAERP CC(C)N1C[C@H](C)[C@H]([NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000246567596 141015891 /nfs/dbraw/zinc/01/58/91/141015891.db2.gz XRNBPBNCEAYIOW-ABSDTBQOSA-N 2 0 333.520 3.006 10 0 EGAERP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000246722724 141028885 /nfs/dbraw/zinc/02/88/85/141028885.db2.gz DFOOBDVBCXADJF-KSZLIROESA-N 2 0 343.515 3.016 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)c1ccccc1F ZINC000268766441 141058974 /nfs/dbraw/zinc/05/89/74/141058974.db2.gz BYQGRXCCDXSSPL-HBGVWJBISA-N 2 0 342.458 3.359 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1 ZINC000339468834 141117906 /nfs/dbraw/zinc/11/79/06/141117906.db2.gz SFKCRWLRSOQKHP-IAGOWNOFSA-N 2 0 331.504 3.083 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000353464396 141302862 /nfs/dbraw/zinc/30/28/62/141302862.db2.gz UNOBVKGHIPPCCX-QYZOEREBSA-N 2 0 329.488 3.365 10 0 EGAERP O=C(NC1CC([NH+]2CCCCC2)C1)c1ccc(C[NH+]2CCCC2)cc1 ZINC000365409758 157117164 /nfs/dbraw/zinc/11/71/64/157117164.db2.gz MAAUKIGOUSXPAE-UHFFFAOYSA-N 2 0 341.499 3.029 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@H]2CCOC2)c1 ZINC000372766582 157378472 /nfs/dbraw/zinc/37/84/72/157378472.db2.gz LJZHKZAEFGCWAX-CEWLAPEOSA-N 2 0 346.515 3.312 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC2CCOCC2)CC1 ZINC000093314678 162002072 /nfs/dbraw/zinc/00/20/72/162002072.db2.gz STUCEXFEKDNAEG-UHFFFAOYSA-N 2 0 345.531 3.077 10 0 EGAERP CC[N@@H+]1CCC[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248880159 163041953 /nfs/dbraw/zinc/04/19/53/163041953.db2.gz KLIJHZMILORTMQ-NCYKPQTJSA-N 2 0 327.516 3.256 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000338462052 163232728 /nfs/dbraw/zinc/23/27/28/163232728.db2.gz QMNVMJFFXSGSMG-UHFFFAOYSA-N 2 0 341.503 3.096 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCN(C)c2ccccc2C1 ZINC000346140807 164347775 /nfs/dbraw/zinc/34/77/75/164347775.db2.gz MZDLYZPRQNMYJB-UHFFFAOYSA-N 2 0 333.439 3.028 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000346163676 164354629 /nfs/dbraw/zinc/35/46/29/164354629.db2.gz BVHDGJTYJDDIHC-FQEVSTJZSA-N 2 0 339.487 3.026 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000352049818 165209394 /nfs/dbraw/zinc/20/93/94/165209394.db2.gz TUNSEEARURYKOF-RLLQIKCJSA-N 2 0 343.515 3.203 10 0 EGAERP COc1c[nH+]ccc1N1CCN(c2cc(C)[nH+]c3ccccc32)CC1 ZINC000360253050 167283528 /nfs/dbraw/zinc/28/35/28/167283528.db2.gz YBZBEJLCETVCLR-UHFFFAOYSA-N 2 0 334.423 3.273 10 0 EGAERP COc1cccc([C@@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000175785726 265137326 /nfs/dbraw/zinc/13/73/26/265137326.db2.gz DKYJQSXEFOSAAH-QGZVFWFLSA-N 2 0 332.488 3.333 10 0 EGAERP C[C@H](Cc1ccccc1F)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000188083433 265649496 /nfs/dbraw/zinc/64/94/96/265649496.db2.gz SUYRMEDFORGMGT-GOSISDBHSA-N 2 0 347.522 3.297 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000193007681 266002745 /nfs/dbraw/zinc/00/27/45/266002745.db2.gz AGSLWHWEOBLBCY-AWEZNQCLSA-N 2 0 329.941 3.468 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CC3)CC2)cc1NC(C)=O ZINC000278412995 268006897 /nfs/dbraw/zinc/00/68/97/268006897.db2.gz HVKVULVROFVZHA-CQSZACIVSA-N 2 0 345.487 3.179 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@H]1CCc2cc(Br)ccc2C1 ZINC000104356588 273794784 /nfs/dbraw/zinc/79/47/84/273794784.db2.gz SUCGMQPYNVEART-INIZCTEOSA-N 2 0 325.294 3.238 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353523221 274354470 /nfs/dbraw/zinc/35/44/70/274354470.db2.gz XMLAMSCEDAAYGG-GHOZHQTGSA-N 2 0 329.532 3.359 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358942185 275063108 /nfs/dbraw/zinc/06/31/08/275063108.db2.gz MVIKVIFCAKJCET-UZLBHIALSA-N 2 0 336.483 3.324 10 0 EGAERP COc1ccc(OCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047971352 275144447 /nfs/dbraw/zinc/14/44/47/275144447.db2.gz RDUPBNQFVXJQGE-UHFFFAOYSA-N 2 0 332.488 3.272 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504304 275641428 /nfs/dbraw/zinc/64/14/28/275641428.db2.gz SDXVCEBXAMUBOW-HNAYVOBHSA-N 2 0 342.487 3.089 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)C1 ZINC000373869056 276288052 /nfs/dbraw/zinc/28/80/52/276288052.db2.gz TYYMNEAUXJCOSG-OGWHTMIXSA-N 2 0 336.520 3.351 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C)c1ccccc1 ZINC000341435351 279153591 /nfs/dbraw/zinc/15/35/91/279153591.db2.gz RHINONLEEKYKSN-BJLQDIEVSA-N 2 0 345.531 3.449 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000414127674 309062496 /nfs/dbraw/zinc/06/24/96/309062496.db2.gz SJDIXOASHWIAEG-CQSZACIVSA-N 2 0 331.435 3.012 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C1CCSCC1 ZINC000414304970 309071821 /nfs/dbraw/zinc/07/18/21/309071821.db2.gz MUUSUOQBZVLXGQ-KRWDZBQOSA-N 2 0 348.556 3.135 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414311463 309072185 /nfs/dbraw/zinc/07/21/85/309072185.db2.gz VBEFLOXTAKRFSR-OAHLLOKOSA-N 2 0 344.421 3.334 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CS[C@H](C)C2)CC1 ZINC000414498011 309084570 /nfs/dbraw/zinc/08/45/70/309084570.db2.gz LXJSAZOCVBJOLG-AEFFLSMTSA-N 2 0 333.545 3.202 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccccc2N2CCO[C@H](C)C2)CC1 ZINC000297812264 308565466 /nfs/dbraw/zinc/56/54/66/308565466.db2.gz YEAMTLIJULEJQJ-GOSISDBHSA-N 2 0 345.531 3.123 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1OC ZINC000414809150 309102670 /nfs/dbraw/zinc/10/26/70/309102670.db2.gz GFXHBYHZHMCQBR-CABCVRRESA-N 2 0 328.456 3.444 10 0 EGAERP COc1cc(C[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc(OC)c1OC ZINC000414808893 309102951 /nfs/dbraw/zinc/10/29/51/309102951.db2.gz LHSMIUPPFHYKQZ-CYBMUJFWSA-N 2 0 330.428 3.022 10 0 EGAERP CC(C)(C)c1nn(-c2ccccc2)cc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414826891 309104110 /nfs/dbraw/zinc/10/41/10/309104110.db2.gz GKIANQRIXIYGCR-INIZCTEOSA-N 2 0 326.488 3.259 10 0 EGAERP Cc1cccc2c(N3CCC(OCCC[NH+](C)C)CC3)cc[nH+]c12 ZINC000301664357 308709776 /nfs/dbraw/zinc/70/97/76/308709776.db2.gz KXRCHUJUIGUHJL-UHFFFAOYSA-N 2 0 327.472 3.480 10 0 EGAERP CCc1cc(N(C)CC2CC[NH+](C[C@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000301798939 308715712 /nfs/dbraw/zinc/71/57/12/308715712.db2.gz RFODXSXIXAWPEH-INIZCTEOSA-N 2 0 341.499 3.326 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@]1(C)CCC[NH2+]C1 ZINC000414918807 309109242 /nfs/dbraw/zinc/10/92/42/309109242.db2.gz VHIANHKGELNMMV-BLLLJJGKSA-N 2 0 343.284 3.499 10 0 EGAERP COc1cc(C[NH2+][C@H](CCC[NH3+])c2ccccc2)cc2c1OCCO2 ZINC000415049998 309116662 /nfs/dbraw/zinc/11/66/62/309116662.db2.gz IALNHUMDGGLSSO-QGZVFWFLSA-N 2 0 342.439 3.036 10 0 EGAERP [NH3+][C@H]1CCO[C@H](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119525 309121562 /nfs/dbraw/zinc/12/15/62/309121562.db2.gz FPKJAJBNVCECCZ-FPOVZHCZSA-N 2 0 344.499 3.194 10 0 EGAERP FC(F)CN1CC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000417377365 309203617 /nfs/dbraw/zinc/20/36/17/309203617.db2.gz CXQNWDPTAJXTBG-MKXGPGLRSA-N 2 0 349.469 3.111 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccc1F ZINC000422743378 309366321 /nfs/dbraw/zinc/36/63/21/309366321.db2.gz IKKJEUYDWPQCTN-YSIASYRMSA-N 3 0 333.495 3.288 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000422757153 309366866 /nfs/dbraw/zinc/36/68/66/309366866.db2.gz IFFPXAYFENPQFO-HZPDHXFCSA-N 2 0 327.472 3.352 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422771127 309367424 /nfs/dbraw/zinc/36/74/24/309367424.db2.gz VKXGIECCNVCHBF-DLBZAZTESA-N 2 0 332.488 3.010 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000422789722 309368504 /nfs/dbraw/zinc/36/85/04/309368504.db2.gz BMPXTOPHSNRVNW-AWEZNQCLSA-N 2 0 340.471 3.294 10 0 EGAERP COc1ccc(CC[NH2+][C@H](Cc2ccccc2)[C@@H](C)[NH3+])c(Cl)c1 ZINC000422892391 309374563 /nfs/dbraw/zinc/37/45/63/309374563.db2.gz YGLMHCPOSWAAFO-AUUYWEPGSA-N 2 0 332.875 3.439 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1nc(-c2cc3ccccc3o2)cs1 ZINC000423050673 309383218 /nfs/dbraw/zinc/38/32/18/309383218.db2.gz LREWSZIBHMJVOY-AWEZNQCLSA-N 2 0 345.468 3.400 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000423064564 309383861 /nfs/dbraw/zinc/38/38/61/309383861.db2.gz RSKQEHMEZQFXKU-UHFFFAOYSA-N 2 0 327.266 3.065 10 0 EGAERP c1ccc(C2(C[NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)CCC2)nc1 ZINC000423104606 309386185 /nfs/dbraw/zinc/38/61/85/309386185.db2.gz HMNCWBTWCRKKHS-GCJKJVERSA-N 2 0 349.478 3.349 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCc3c(F)cccc32)CC[NH2+]CC1 ZINC000423142950 309388068 /nfs/dbraw/zinc/38/80/68/309388068.db2.gz BWITWMCDAGAYEU-RDTXWAMCSA-N 2 0 348.462 3.114 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOCC1CCCC1 ZINC000423157369 309388669 /nfs/dbraw/zinc/38/86/69/309388669.db2.gz ARHULHGZDDFTQJ-QUCCMNQESA-N 2 0 330.472 3.039 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@@H]([NH3+])c2ccccc2)CC1 ZINC000423249571 309392279 /nfs/dbraw/zinc/39/22/79/309392279.db2.gz OVSHGUSQACILGC-PGRDOPGGSA-N 2 0 337.511 3.372 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000423426093 309399974 /nfs/dbraw/zinc/39/99/74/309399974.db2.gz PDIAEZMDPORSJF-HMXCVIKNSA-N 3 0 343.559 3.437 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000423553189 309406164 /nfs/dbraw/zinc/40/61/64/309406164.db2.gz VWJDUEYHTKAVPC-LJCCNALRSA-N 2 0 336.483 3.227 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@H]3CC[C@@H]3SC)CC2)cc1 ZINC000425352249 309475319 /nfs/dbraw/zinc/47/53/19/309475319.db2.gz MQJRPXFWSFBFGJ-OALUTQOASA-N 2 0 334.529 3.391 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426100966 309499635 /nfs/dbraw/zinc/49/96/35/309499635.db2.gz POTUBPPDNAYZQF-QRVBRYPASA-N 2 0 349.563 3.362 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(SC)CC2)CC1 ZINC000433188486 309681233 /nfs/dbraw/zinc/68/12/33/309681233.db2.gz AHYWQZHACAMLLU-UHFFFAOYSA-N 2 0 333.545 3.204 10 0 EGAERP c1cc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)cs1 ZINC000437580970 309794891 /nfs/dbraw/zinc/79/48/91/309794891.db2.gz OPNHHKXQZINVJH-UHFFFAOYSA-N 2 0 330.501 3.446 10 0 EGAERP Cc1nc2n(n1)C[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC2 ZINC000449117995 310038457 /nfs/dbraw/zinc/03/84/57/310038457.db2.gz QXVFRORSTKECCV-QGZVFWFLSA-N 2 0 347.551 3.170 10 0 EGAERP C[C@H](C[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1)N1CC[NH+](C)CC1 ZINC000449137859 310039561 /nfs/dbraw/zinc/03/95/61/310039561.db2.gz YWKCEUGYCOVHMG-AYBZRNKSSA-N 2 0 335.923 3.202 10 0 EGAERP CCC[N@H+](CC)CCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449180045 310042606 /nfs/dbraw/zinc/04/26/06/310042606.db2.gz YIDGJDNFUXQALO-IBGZPJMESA-N 2 0 331.548 3.404 10 0 EGAERP C[N@H+]1CC=C(C[NH2+]Cc2cnc(-c3c(F)cccc3F)s2)CC1 ZINC000449246986 310047342 /nfs/dbraw/zinc/04/73/42/310047342.db2.gz FDOYQIBGHSCRPB-UHFFFAOYSA-N 2 0 335.423 3.440 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@H](O)C(F)F ZINC000449419703 310060243 /nfs/dbraw/zinc/06/02/43/310060243.db2.gz CGQSMECQXQVRIB-WBAXXEDZSA-N 2 0 340.458 3.076 10 0 EGAERP C[C@H]([NH2+]CC1(CF)CCOCC1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449489784 310066254 /nfs/dbraw/zinc/06/62/54/310066254.db2.gz UJHLQBIAWMZVFG-PKOBYXMFSA-N 2 0 334.479 3.253 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](CC/C=C\c3ccccc3)CC2)CC1 ZINC000450744007 310140576 /nfs/dbraw/zinc/14/05/76/310140576.db2.gz KHPXYNQMWRLOOO-POHAHGRESA-N 2 0 341.543 3.439 10 0 EGAERP CC[C@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027444 310253459 /nfs/dbraw/zinc/25/34/59/310253459.db2.gz VJADXVOARBQZPS-VQTJNVASSA-N 2 0 330.516 3.380 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000453059151 310255117 /nfs/dbraw/zinc/25/51/17/310255117.db2.gz IJYFXGJEYICHJJ-MBDNFAEBSA-N 2 0 341.543 3.361 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CCOC3)[C@H]3CCC[C@H]32)cc1 ZINC000453187804 310263035 /nfs/dbraw/zinc/26/30/35/310263035.db2.gz AMLNHLXVSVQZIY-MXEMCNAFSA-N 2 0 328.500 3.446 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@H]2CCC[C@@H]21 ZINC000453232113 310265658 /nfs/dbraw/zinc/26/56/58/310265658.db2.gz JCGAFKIIEJYLAT-JLSDUUJJSA-N 2 0 344.890 3.488 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453317751 310270768 /nfs/dbraw/zinc/27/07/68/310270768.db2.gz YRGMZWBZPASCNT-PKOBYXMFSA-N 2 0 334.479 3.253 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH+]2CCC(F)(c3ccccc3)CC2)CC1 ZINC000501869956 311955727 /nfs/dbraw/zinc/95/57/27/311955727.db2.gz JUVXVKHDTYVBQV-UHFFFAOYSA-N 2 0 347.522 3.363 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@@H]2CCC[C@@H]21 ZINC000514100015 312225217 /nfs/dbraw/zinc/22/52/17/312225217.db2.gz SLYZNDFORUJPJP-UFYCRDLUSA-N 2 0 342.531 3.424 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2[C@@H](C)O[C@@H](C)[C@@H]2C)CC1 ZINC000528010520 312998369 /nfs/dbraw/zinc/99/83/69/312998369.db2.gz ZCYBCWZXYGFHNS-ARWBCWGVSA-N 2 0 330.516 3.484 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000534869834 314003745 /nfs/dbraw/zinc/00/37/45/314003745.db2.gz WMKLXJQLHXARNH-UHFFFAOYSA-N 2 0 329.532 3.493 10 0 EGAERP Cc1cc(C)cc([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000537447395 314181601 /nfs/dbraw/zinc/18/16/01/314181601.db2.gz RLJNIWMTXDIQOS-HKUYNNGSSA-N 2 0 333.520 3.047 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CC(C)(C)OC)CC1 ZINC000537724715 314205187 /nfs/dbraw/zinc/20/51/87/314205187.db2.gz HOPJFGUHCHSFIH-UHFFFAOYSA-N 2 0 333.520 3.075 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1CC[NH+](C)[C@H]1c1ccccc1)C1CCCCC1 ZINC000548392269 315003496 /nfs/dbraw/zinc/00/34/96/315003496.db2.gz OMEBRZBZCUOSHG-FPOVZHCZSA-N 2 0 343.515 3.203 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@H]2CCC[C@@H]21 ZINC000552043270 315192515 /nfs/dbraw/zinc/19/25/15/315192515.db2.gz FPOGKGCBFKNTAN-IKGGRYGDSA-N 2 0 337.305 3.454 10 0 EGAERP COc1ccc([C@H](NCC2([NH3+])CCCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000570507829 317065350 /nfs/dbraw/zinc/06/53/50/317065350.db2.gz BRPMTOAZWPKESJ-OALUTQOASA-N 2 0 331.504 3.130 10 0 EGAERP C[NH+]1CCN(c2ccc(C[NH2+]CCCC3CCCCC3)cn2)CC1 ZINC000570859564 317118185 /nfs/dbraw/zinc/11/81/85/317118185.db2.gz XZAYBIPFIQUBSU-UHFFFAOYSA-N 2 0 330.520 3.284 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000384069183 324258330 /nfs/dbraw/zinc/25/83/30/324258330.db2.gz UYQGEHADFWPESU-ACRUOGEOSA-N 2 0 328.500 3.303 10 0 EGAERP CC(C)c1nccn1Cc1cccc(NC(=O)CN2CC(C)(C)C2)c1 ZINC000579255612 325086223 /nfs/dbraw/zinc/08/62/23/325086223.db2.gz LDJVGIHRXOMFPM-UHFFFAOYSA-N 2 0 340.471 3.335 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)C1 ZINC000579627491 325137414 /nfs/dbraw/zinc/13/74/14/325137414.db2.gz ZZVIJEBTCLQVCY-QGZVFWFLSA-N 2 0 329.488 3.199 10 0 EGAERP [NH3+]CCCN(c1cccc(F)c1)C1CC[NH+](Cc2ccncc2)CC1 ZINC000183219259 455254152 /nfs/dbraw/zinc/25/41/52/455254152.db2.gz FUEIBYSRXBHONY-UHFFFAOYSA-N 2 0 342.462 3.041 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C[C@H](O)CC(F)(F)F ZINC000189956360 455260207 /nfs/dbraw/zinc/26/02/07/455260207.db2.gz IYDWUPXPYPIPQH-IIAWOOMASA-N 2 0 344.421 3.046 10 0 EGAERP c1nc(CC[NH2+][C@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383378 455267704 /nfs/dbraw/zinc/26/77/04/455267704.db2.gz MUYFVQRVMNTVMC-WDSOQIARSA-N 2 0 327.497 3.186 10 0 EGAERP [NH3+][C@@H]1CCCCCN(CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000631833889 460576125 /nfs/dbraw/zinc/57/61/25/460576125.db2.gz KXOCMOBBWYPGFL-OAHLLOKOSA-N 2 0 334.851 3.136 10 0 EGAERP COc1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1OC1CC1 ZINC000623509096 460588863 /nfs/dbraw/zinc/58/88/63/460588863.db2.gz SDIYRSNFBKFPTI-UHFFFAOYSA-N 2 0 330.472 3.200 10 0 EGAERP CCS(=O)(=O)c1ccc([C@@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623517581 460592703 /nfs/dbraw/zinc/59/27/03/460592703.db2.gz KQKPDLREXPMMCY-GDBMZVCRSA-N 2 0 338.517 3.004 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969735 460599563 /nfs/dbraw/zinc/59/95/63/460599563.db2.gz XQIAYHLBANUFJO-GJZGRUSLSA-N 2 0 346.302 3.053 10 0 EGAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]CCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000013113458 453444887 /nfs/dbraw/zinc/44/48/87/453444887.db2.gz GCLRZSOLNBUYPJ-SJORKVTESA-N 2 0 347.503 3.266 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000076380926 453994826 /nfs/dbraw/zinc/99/48/26/453994826.db2.gz RREXGAJYPUAUNQ-KRWDZBQOSA-N 2 0 331.504 3.133 10 0 EGAERP CC(C)[C@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000182065280 455427724 /nfs/dbraw/zinc/42/77/24/455427724.db2.gz FIPBLSUJMJDJOI-IBGZPJMESA-N 2 0 339.474 3.279 10 0 EGAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132922456 454376854 /nfs/dbraw/zinc/37/68/54/454376854.db2.gz IUAIORFSUITEGF-SWLSCSKDSA-N 2 0 327.394 3.409 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+](C[C@H]2CCOC2)CC1)c1cc2c(s1)CCC2 ZINC000132982341 454382775 /nfs/dbraw/zinc/38/27/75/454382775.db2.gz BEYODAMWDUZQLX-LSDHHAIUSA-N 2 0 334.529 3.388 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000097057084 454398096 /nfs/dbraw/zinc/39/80/96/454398096.db2.gz BYGIPVHXBIQZRN-SESVDKBCSA-N 2 0 339.483 3.334 10 0 EGAERP C[C@@H](c1ccccc1)N(C)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000047971106 454426028 /nfs/dbraw/zinc/42/60/28/454426028.db2.gz IJRICHSQDOUPSO-SFHVURJKSA-N 2 0 343.515 3.014 10 0 EGAERP O=C(CC[NH+]1CCC(C[NH+]2CCCC2)CC1)Nc1cccc(Cl)c1 ZINC000047972965 454426149 /nfs/dbraw/zinc/42/61/49/454426149.db2.gz QCAGQOFWOXQUCH-UHFFFAOYSA-N 2 0 349.906 3.476 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(N3CCOC3=O)cc2)CC1 ZINC000121670248 454463867 /nfs/dbraw/zinc/46/38/67/454463867.db2.gz POBMXCRPWHFNAU-INIZCTEOSA-N 2 0 345.487 3.416 10 0 EGAERP C[C@@H]1C[C@@H]([N@H+](C)C[C@H](O)COc2ccc(C(C)(C)C)cc2)CCN1C ZINC000123435211 454636447 /nfs/dbraw/zinc/63/64/47/454636447.db2.gz IFTILLNDUDNKAC-NEWSRXKRSA-N 2 0 348.531 3.138 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000052210092 454660917 /nfs/dbraw/zinc/66/09/17/454660917.db2.gz MQIQSPWDYBTYPV-LJQANCHMSA-N 2 0 340.458 3.442 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)CCc2c(F)cccc2Cl)CC1 ZINC000106124586 454681968 /nfs/dbraw/zinc/68/19/68/454681968.db2.gz WHFBBSBFUMLFEW-AWEZNQCLSA-N 2 0 342.886 3.046 10 0 EGAERP COCCCOc1cccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000152694289 454714334 /nfs/dbraw/zinc/71/43/34/454714334.db2.gz WPFYQSMSSQQJSH-UHFFFAOYSA-N 2 0 346.515 3.410 10 0 EGAERP CC[N@@H+](Cc1nc(C)ccc1O)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818735 454737568 /nfs/dbraw/zinc/73/75/68/454737568.db2.gz UUOTVFLSXHLMJB-LJQANCHMSA-N 2 0 339.483 3.440 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+]CCc2ccc(C(C)C)cc2)CC1 ZINC000138071809 454788663 /nfs/dbraw/zinc/78/86/63/454788663.db2.gz DOOOVZGVXUURJJ-UHFFFAOYSA-N 2 0 331.548 3.360 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CC[NH+](C2CCCCC2)CC1 ZINC000177238580 454841625 /nfs/dbraw/zinc/84/16/25/454841625.db2.gz LOVZQCMPKQNJDJ-IBGZPJMESA-N 2 0 335.536 3.163 10 0 EGAERP CCc1ccc(C[NH2+]CC2CC[NH+](C[C@H](O)c3ccccc3)CC2)o1 ZINC000177771589 454902213 /nfs/dbraw/zinc/90/22/13/454902213.db2.gz YVVCHQGDNLTXCL-NRFANRHFSA-N 2 0 342.483 3.377 10 0 EGAERP CO[C@H](C)c1noc(CN[C@H](C)c2ccc(-n3ccnc3C)cc2)n1 ZINC000183689303 455321652 /nfs/dbraw/zinc/32/16/52/455321652.db2.gz LZAHNYDZOVCIBY-CHWSQXEVSA-N 2 0 341.415 3.122 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cn(-c3ccccc3)nc2C)[C@@H](C)C1 ZINC000245729794 455367239 /nfs/dbraw/zinc/36/72/39/455367239.db2.gz JMZUPQWDZXHUDT-JXFKEZNVSA-N 2 0 326.488 3.343 10 0 EGAERP CC(=O)c1ccccc1OCCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000246487491 455498870 /nfs/dbraw/zinc/49/88/70/455498870.db2.gz GYGAJZCNFMZBCV-FXAWDEMLSA-N 2 0 342.483 3.217 10 0 EGAERP Cc1cccc2c(NC3CCN(CC[NH+](C)C)CC3)c(C)c[nH+]c12 ZINC000185271883 455533046 /nfs/dbraw/zinc/53/30/46/455533046.db2.gz BOLFIGRETBHZKL-UHFFFAOYSA-N 2 0 326.488 3.290 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192645582 455661386 /nfs/dbraw/zinc/66/13/86/455661386.db2.gz LXJQIWDZHWFAPT-MRXNPFEDSA-N 2 0 347.528 3.058 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCC([NH+](C)Cc3ccccc3)CC2)C1 ZINC000285788954 455915628 /nfs/dbraw/zinc/91/56/28/455915628.db2.gz UOPOOHCFTXVMGQ-QNGMFEMESA-N 3 0 329.532 3.361 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000280936653 456088089 /nfs/dbraw/zinc/08/80/89/456088089.db2.gz FWWRPFJSVHGTJG-NBYUQASBSA-N 2 0 344.499 3.218 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)C1CC[NH+](Cc2ccccc2)CC1 ZINC000620624251 460710194 /nfs/dbraw/zinc/71/01/94/460710194.db2.gz SFCVMIJWHSAYJO-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP CC[NH+](CC)Cc1cccc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236939281 456206121 /nfs/dbraw/zinc/20/61/21/456206121.db2.gz SMDVVDSGAQIGPF-NEWSRXKRSA-N 2 0 329.488 3.388 10 0 EGAERP C[C@H]([NH2+]CCc1cncn1C)c1cccc(OCc2ccccn2)c1 ZINC000298460698 456463165 /nfs/dbraw/zinc/46/31/65/456463165.db2.gz OGLCBPHLVFTLSN-INIZCTEOSA-N 2 0 336.439 3.287 10 0 EGAERP Cn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(C(F)F)n1 ZINC000291169906 456553005 /nfs/dbraw/zinc/55/30/05/456553005.db2.gz JOFRUACEIAFUBD-UHFFFAOYSA-N 2 0 334.414 3.243 10 0 EGAERP CCN1CCC[C@@H]([NH2+][C@@H](C)CCCCNC(=O)OC(C)(C)C)C1 ZINC000310032884 456578892 /nfs/dbraw/zinc/57/88/92/456578892.db2.gz YRDFYWNKJBCMFL-JKSUJKDBSA-N 2 0 327.513 3.144 10 0 EGAERP C[C@@H](CCCCO)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319919 462477581 /nfs/dbraw/zinc/47/75/81/462477581.db2.gz JWRGOJLESXXNPX-ICSRJNTNSA-N 2 0 330.516 3.429 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC[C@@H]3CCCF)cn2)CC1 ZINC000337991547 456642134 /nfs/dbraw/zinc/64/21/34/456642134.db2.gz XBZRBEAERASEPC-MOPGFXCFSA-N 2 0 348.510 3.232 10 0 EGAERP Clc1cc(CN2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322112987 456645126 /nfs/dbraw/zinc/64/51/26/456645126.db2.gz PFVSOFPEFMCRIJ-GOEBONIOSA-N 2 0 336.863 3.075 10 0 EGAERP CC[NH+](CC)Cc1cccc(NC(=O)c2ccccc2CC[NH3+])c1 ZINC000324946682 456676358 /nfs/dbraw/zinc/67/63/58/456676358.db2.gz SJLGBXZEZGEVPJ-UHFFFAOYSA-N 2 0 325.456 3.282 10 0 EGAERP CO[C@H](CC[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000348418681 456678096 /nfs/dbraw/zinc/67/80/96/456678096.db2.gz JHIUKUVDYSSTDN-BHYGNILZSA-N 2 0 344.421 3.454 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c(OC)c1 ZINC000326673014 456697945 /nfs/dbraw/zinc/69/79/45/456697945.db2.gz KBERJRZTLXJSDX-HNNXBMFYSA-N 2 0 341.455 3.418 10 0 EGAERP COc1cc2c(cc1F)CC[C@@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353625350 456812410 /nfs/dbraw/zinc/81/24/10/456812410.db2.gz GFIOOKMKYKVIQD-INIZCTEOSA-N 2 0 338.492 3.239 10 0 EGAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]CC1(SC)CC[NH+](C)CC1 ZINC000353625352 456812705 /nfs/dbraw/zinc/81/27/05/456812705.db2.gz GFIOOKMKYKVIQD-MRXNPFEDSA-N 2 0 338.492 3.239 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2c(C)nn(-c3ccccn3)c2C)CC1 ZINC000338435219 456817611 /nfs/dbraw/zinc/81/76/11/456817611.db2.gz KFVHXAIJKQPONW-UHFFFAOYSA-N 2 0 341.503 3.096 10 0 EGAERP CC[NH+](CC)Cc1cccc(NC(=O)c2ccc(C[NH+](C)C)nc2)c1 ZINC000339228681 457004755 /nfs/dbraw/zinc/00/47/55/457004755.db2.gz AGIHMSPXAIOYBX-UHFFFAOYSA-N 2 0 340.471 3.237 10 0 EGAERP CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346205016 457024642 /nfs/dbraw/zinc/02/46/42/457024642.db2.gz PZBSGMOYBQWJQO-ROUUACIJSA-N 2 0 328.460 3.211 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](C/C=C/c2ccccc2OC)C1 ZINC000354101943 457063422 /nfs/dbraw/zinc/06/34/22/457063422.db2.gz XSZVJHYBIFPJII-RQMBKDMJSA-N 2 0 332.488 3.141 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cn1 ZINC000359711494 457123534 /nfs/dbraw/zinc/12/35/34/457123534.db2.gz JHYFBKDKFLBULZ-OAHLLOKOSA-N 2 0 345.874 3.418 10 0 EGAERP OCc1ccc(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cc1 ZINC000386208578 457429050 /nfs/dbraw/zinc/42/90/50/457429050.db2.gz MKXPCXVCBPBKPZ-FDFHNCONSA-N 2 0 336.479 3.179 10 0 EGAERP [NH3+]C[C@H]1CCCC[C@@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390867974 457447747 /nfs/dbraw/zinc/44/77/47/457447747.db2.gz NPQDGOPZYPZXQW-WNTWWTRPSA-N 2 0 327.516 3.289 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000391935530 457455895 /nfs/dbraw/zinc/45/58/95/457455895.db2.gz JYOSPPLSUAPOGJ-LSDHHAIUSA-N 2 0 346.500 3.195 10 0 EGAERP C[C@@H](CCC(C)(C)C)[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000342704374 457467670 /nfs/dbraw/zinc/46/76/70/457467670.db2.gz YABCUXKADMWNQV-INIZCTEOSA-N 2 0 333.520 3.282 10 0 EGAERP Cc1ccc(C2CCN([C@@H](C)C(=O)Nc3nccs3)CC2)cn1 ZINC000374679622 457685977 /nfs/dbraw/zinc/68/59/77/457685977.db2.gz NZLUGEOKPJWFIK-ZDUSSCGKSA-N 2 0 330.457 3.053 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000364820955 457699690 /nfs/dbraw/zinc/69/96/90/457699690.db2.gz ZAHXALLWUQOJHX-QUCCMNQESA-N 3 0 329.532 3.219 10 0 EGAERP COC[C@@H]([NH2+]C[C@@]1(C)CCCN1Cc1ccccc1)C1CCOCC1 ZINC000364846912 457704148 /nfs/dbraw/zinc/70/41/48/457704148.db2.gz KZFVPRAEXLDTBX-NHCUHLMSSA-N 2 0 346.515 3.072 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000426147590 457777692 /nfs/dbraw/zinc/77/76/92/457777692.db2.gz GZVCSRQHBSMRJY-INIZCTEOSA-N 2 0 334.504 3.434 10 0 EGAERP CC1=CCN(CC[NH2+]Cc2c[nH]nc2-c2cccc(Cl)c2)CC1 ZINC000358162133 457826606 /nfs/dbraw/zinc/82/66/06/457826606.db2.gz LOCHQKDUCYXNPZ-UHFFFAOYSA-N 2 0 330.863 3.472 10 0 EGAERP CN(Cc1cccc(C[NH+]2CCCCC2)c1)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000411266123 457844999 /nfs/dbraw/zinc/84/49/99/457844999.db2.gz XFVPQHCBVVSAOU-NRFANRHFSA-N 2 0 327.516 3.341 10 0 EGAERP c1ccc([C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCOC2)cc1 ZINC000459460113 458378534 /nfs/dbraw/zinc/37/85/34/458378534.db2.gz IQQNOHNDTLKLEU-NQIIRXRSSA-N 2 0 337.467 3.418 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(F)c(Cl)c1 ZINC000423521082 458450178 /nfs/dbraw/zinc/45/01/78/458450178.db2.gz SAVICWOZQYCOLW-JEYLPNPQSA-N 2 0 339.886 3.346 10 0 EGAERP CC(C)Oc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423524331 458451031 /nfs/dbraw/zinc/45/10/31/458451031.db2.gz WYFNEPFDCJJOFI-QHGAOEGBSA-N 2 0 345.531 3.341 10 0 EGAERP C[C@@H](NC1CC([NH+]2CCCCC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000373519534 458516559 /nfs/dbraw/zinc/51/65/59/458516559.db2.gz GCUAWHDPCXLDGH-QHGAOEGBSA-N 2 0 345.531 3.295 10 0 EGAERP Cc1cc(N[C@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000462876333 458663108 /nfs/dbraw/zinc/66/31/08/458663108.db2.gz DMTRSZPIHFZAHP-STQMWFEESA-N 2 0 335.398 3.461 10 0 EGAERP CCOc1cc(CN[C@@H]2CC[NH2+]C23CCC3)ccc1OCC(C)C ZINC000530177141 458707499 /nfs/dbraw/zinc/70/74/99/458707499.db2.gz HDQFAINJVOOEHQ-LJQANCHMSA-N 2 0 332.488 3.494 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@H]3[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000474040183 458857387 /nfs/dbraw/zinc/85/73/87/458857387.db2.gz ZLZRWVRQXQGQMG-SESVDKBCSA-N 2 0 343.515 3.483 10 0 EGAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475577311 458953222 /nfs/dbraw/zinc/95/32/22/458953222.db2.gz XUVBGGZTZIWOSM-ZLPCBKJTSA-N 2 0 345.487 3.019 10 0 EGAERP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000566799671 459002790 /nfs/dbraw/zinc/00/27/90/459002790.db2.gz IXMHUCJBUDWXFG-LSDHHAIUSA-N 2 0 330.451 3.017 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)[C@H]2CCC[C@@H]21 ZINC000556871904 459026053 /nfs/dbraw/zinc/02/60/53/459026053.db2.gz NEDUEFYXBMHSOY-PVAVHDDUSA-N 2 0 337.305 3.454 10 0 EGAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1cccc(NC(=O)C2CCCCC2)c1 ZINC000532476295 459095553 /nfs/dbraw/zinc/09/55/53/459095553.db2.gz STUVFPQKNSTSKH-HNAYVOBHSA-N 2 0 329.488 3.245 10 0 EGAERP Cn1cc(CC[NH2+][C@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2ccc(F)cc21 ZINC000521921857 459193836 /nfs/dbraw/zinc/19/38/36/459193836.db2.gz SPXAJGLCHWCBAF-QYZOEREBSA-N 2 0 329.463 3.322 10 0 EGAERP CN(CC[N@H+](C)[C@@H]1CC[C@](C)(c2ccccc2)C1)C1CC[NH+](C)CC1 ZINC000561395444 459450088 /nfs/dbraw/zinc/45/00/88/459450088.db2.gz FLWJIYZSWXJGTE-YADHBBJMSA-N 2 0 343.559 3.455 10 0 EGAERP OCCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000499197550 459626323 /nfs/dbraw/zinc/62/63/23/459626323.db2.gz UFFQNGUNXBUNBE-ACDBMABISA-N 2 0 328.500 3.324 10 0 EGAERP C[N@@H+]1CCC[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409297 459729969 /nfs/dbraw/zinc/72/99/69/459729969.db2.gz BRSHGXKKXBRVBF-PMACEKPBSA-N 2 0 327.516 3.115 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2cccc(C(=O)OCC)n2)CC1 ZINC000600109445 460384201 /nfs/dbraw/zinc/38/42/01/460384201.db2.gz KLDVDGYHGLRKQC-UHFFFAOYSA-N 2 0 347.503 3.202 10 0 EGAERP CC[NH+](CC)CCOc1ccc(CN[C@H]2CC[N@H+](C)C(C)(C)C2)cc1 ZINC000623359969 460509079 /nfs/dbraw/zinc/50/90/79/460509079.db2.gz LWLUYVFABVROKC-IBGZPJMESA-N 2 0 347.547 3.370 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)CC1(C)C ZINC000623386012 460521975 /nfs/dbraw/zinc/52/19/75/460521975.db2.gz HEFJNKDLCUZYTO-AWEZNQCLSA-N 2 0 325.294 3.454 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]CC[C@H](O)C(F)F)CC1 ZINC000631705227 460525535 /nfs/dbraw/zinc/52/55/35/460525535.db2.gz ZKIRVXJYMDOFED-JCYILVPMSA-N 2 0 326.431 3.035 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@@H]1c1ccc(C(F)(F)F)cc1 ZINC000629404479 460748214 /nfs/dbraw/zinc/74/82/14/460748214.db2.gz OFQIDNCFPMCMIP-HZPDHXFCSA-N 2 0 330.394 3.167 10 0 EGAERP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+][C@H]1CCCN(C)C1 ZINC000623870713 460753688 /nfs/dbraw/zinc/75/36/88/460753688.db2.gz KIMGALHNMWVMAQ-JQWIXIFHSA-N 2 0 335.801 3.369 10 0 EGAERP COc1ccc([C@@H](Cc2ccccc2)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629519259 460792079 /nfs/dbraw/zinc/79/20/79/460792079.db2.gz FINYBSKORQGCMY-HXUWFJFHSA-N 2 0 340.467 3.077 10 0 EGAERP [NH3+]C1(C[NH2+][C@H](c2cccc(OC(F)(F)F)c2)C2CC2)CCOCC1 ZINC000629521319 460794822 /nfs/dbraw/zinc/79/48/22/460794822.db2.gz PUKDPBRPZDVJGH-HNNXBMFYSA-N 2 0 344.377 3.134 10 0 EGAERP Cc1ccc(-c2nc3c(s2)[C@@H]([NH2+]CCOCCC[NH3+])CCC3)cc1 ZINC000629538088 460800846 /nfs/dbraw/zinc/80/08/46/460800846.db2.gz MIAKZJDLCMWBFB-INIZCTEOSA-N 2 0 345.512 3.451 10 0 EGAERP c1ncn2c1c(N1CCC[N@@H+](C3CCCC3)CC1)nc1ccccc12 ZINC000623985534 460810994 /nfs/dbraw/zinc/81/09/94/460810994.db2.gz VAOGNBPVCJZNSV-UHFFFAOYSA-N 2 0 335.455 3.337 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2COc3cccc(C)c3C2)[C@H](C)C1 ZINC000624072088 460846066 /nfs/dbraw/zinc/84/60/66/460846066.db2.gz UANMWUKOUCBBOR-GGPKGHCWSA-N 2 0 346.515 3.025 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](c3nc([C@@H]4CCC[NH2+]4)no3)[C@H](C3CC3)C2)cc1 ZINC000629675337 460861883 /nfs/dbraw/zinc/86/18/83/460861883.db2.gz QFRLGHKIAQWKBE-KSZLIROESA-N 2 0 338.455 3.120 10 0 EGAERP Cc1ccc([C@H](C)C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000628337744 461093368 /nfs/dbraw/zinc/09/33/68/461093368.db2.gz POFOVVNVYIQPNQ-XMSQKQJNSA-N 2 0 338.495 3.455 10 0 EGAERP C[C@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000662254988 461143984 /nfs/dbraw/zinc/14/39/84/461143984.db2.gz CKMRFRMBMLLQOS-BTYIYWSLSA-N 2 0 340.442 3.433 10 0 EGAERP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1C[C@@H]1CCC2(C[NH2+]C2)O1 ZINC000662252370 461144011 /nfs/dbraw/zinc/14/40/11/461144011.db2.gz NHLQGNULCXHGJO-KBPBESRZSA-N 2 0 338.854 3.007 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cnn3c2CCC3)CC1)CC(C)C ZINC000668167980 461151474 /nfs/dbraw/zinc/15/14/74/461151474.db2.gz JLQOKENHVVXYPK-UHFFFAOYSA-N 2 0 332.536 3.409 10 0 EGAERP Cc1cc(C)cc(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360913 461154079 /nfs/dbraw/zinc/15/40/79/461154079.db2.gz TVSISTHKXMOUDX-MISYRCLQSA-N 2 0 332.488 3.043 10 0 EGAERP Cc1ccccc1OCCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363035 461154177 /nfs/dbraw/zinc/15/41/77/461154177.db2.gz VZMDAJWVHHHSJC-NSHGMRRFSA-N 2 0 332.488 3.125 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2cccc(Cl)c2)C1 ZINC000652360326 461155214 /nfs/dbraw/zinc/15/52/14/461155214.db2.gz FLYMBDHZPWSDBY-BPQIPLTHSA-N 2 0 338.879 3.080 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1ccc(Cl)cc1F ZINC000662280057 461162317 /nfs/dbraw/zinc/16/23/17/461162317.db2.gz BXDSYFNLKRIEJM-CJNGLKHVSA-N 2 0 326.843 3.287 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1ccc(Cl)cc1 ZINC000662296082 461176442 /nfs/dbraw/zinc/17/64/42/461176442.db2.gz JZATVLDTVRILNE-INIZCTEOSA-N 2 0 349.906 3.380 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@@H]2CC2CCC2)cc1 ZINC000646296617 461177638 /nfs/dbraw/zinc/17/76/38/461177638.db2.gz MZPWYRRRBWTBHE-IBGZPJMESA-N 2 0 332.488 3.018 10 0 EGAERP C[NH+](C)CCC[C@H]1C[N@H+](CCn2ccc3cc(Cl)ccc32)CCO1 ZINC000662323610 461193321 /nfs/dbraw/zinc/19/33/21/461193321.db2.gz ODSPCXFZUOCQPN-SFHVURJKSA-N 2 0 349.906 3.337 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662402029 461232635 /nfs/dbraw/zinc/23/26/35/461232635.db2.gz FGNUIARWZXWRNA-JTDSTZFVSA-N 2 0 343.515 3.094 10 0 EGAERP c1ccc([C@H]2C[C@H]2C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000668439732 461282530 /nfs/dbraw/zinc/28/25/30/461282530.db2.gz DBANAGSLSDDTDF-PZJWPPBQSA-N 2 0 328.500 3.271 10 0 EGAERP CCCOc1ccc(Br)cc1CN(C)CC1C[NH+](C)C1 ZINC000668537401 461319008 /nfs/dbraw/zinc/31/90/08/461319008.db2.gz FBUIJBLVUUHEAC-UHFFFAOYSA-N 2 0 341.293 3.231 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)CS1 ZINC000655688085 461363553 /nfs/dbraw/zinc/36/35/53/461363553.db2.gz JYTQPFOYCFJORO-YZGWKJHDSA-N 2 0 347.572 3.239 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](Oc2ccccc2)C1 ZINC000668718341 461397054 /nfs/dbraw/zinc/39/70/54/461397054.db2.gz NTPBYVNKRHTCFA-HXUWFJFHSA-N 2 0 334.423 3.229 10 0 EGAERP CSc1cccc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000659860948 461462943 /nfs/dbraw/zinc/46/29/43/461462943.db2.gz JQQJEAQQCQFMBL-UHFFFAOYSA-N 2 0 334.529 3.343 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CCCc2n[nH]cc2C1 ZINC000668840208 461463553 /nfs/dbraw/zinc/46/35/53/461463553.db2.gz DFSZHWAFIUAXPZ-UHFFFAOYSA-N 2 0 326.488 3.316 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)C1 ZINC000655802523 461464375 /nfs/dbraw/zinc/46/43/75/461464375.db2.gz FEDQZGWKSCBIER-YHINDDMVSA-N 3 0 341.543 3.359 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806944 461466028 /nfs/dbraw/zinc/46/60/28/461466028.db2.gz FABBRPKAMVUUOA-OFQRWUPVSA-N 2 0 337.895 3.295 10 0 EGAERP CCOc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc(Cl)c1OC ZINC000655825642 461480491 /nfs/dbraw/zinc/48/04/91/461480491.db2.gz LCXWQUJDBVRZFE-XBXGTLAGSA-N 2 0 326.868 3.177 10 0 EGAERP Cc1nn(-c2ccc(Cl)cc2)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655826964 461481855 /nfs/dbraw/zinc/48/18/55/461481855.db2.gz JWRHVJWXWCNUSJ-UJKQEGAGSA-N 2 0 332.879 3.264 10 0 EGAERP CO[C@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[C@H]1CCOC1 ZINC000660005588 461542139 /nfs/dbraw/zinc/54/21/39/461542139.db2.gz AXYDQYADENZFGA-YZGWKJHDSA-N 2 0 338.536 3.014 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1)C1CCCCC1 ZINC000653201014 461557009 /nfs/dbraw/zinc/55/70/09/461557009.db2.gz WYXKGKJBVGMHOW-IBGZPJMESA-N 2 0 349.494 3.029 10 0 EGAERP C[NH2+]Cc1ccccc1CNC(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000653214810 461566617 /nfs/dbraw/zinc/56/66/17/461566617.db2.gz BXRDLEPFJVLDAP-LJQANCHMSA-N 2 0 331.504 3.100 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCN(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000647248918 461589564 /nfs/dbraw/zinc/58/95/64/461589564.db2.gz OYNKBKQGSNSYQR-SJBKTWHCSA-N 2 0 335.495 3.200 10 0 EGAERP CC(C)C[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1ccncc1 ZINC000647288113 461615936 /nfs/dbraw/zinc/61/59/36/461615936.db2.gz LRYUDAXLNMSEIO-HXUWFJFHSA-N 2 0 332.536 3.032 10 0 EGAERP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@H]2O)CC1)c1ccncc1 ZINC000647294847 461620152 /nfs/dbraw/zinc/62/01/52/461620152.db2.gz PXWRXZYNKFPXCH-SLFFLAALSA-N 2 0 331.504 3.136 10 0 EGAERP c1ccc2c(c1)O[C@@H](CC[NH2+]C1CC[NH+](CC3CC3)CC1)CS2 ZINC000647320931 461632412 /nfs/dbraw/zinc/63/24/12/461632412.db2.gz MVIIEFBHBDBDEZ-KRWDZBQOSA-N 2 0 332.513 3.394 10 0 EGAERP C[C@H]([NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1)C1C[NH2+]C1 ZINC000656199894 461644137 /nfs/dbraw/zinc/64/41/37/461644137.db2.gz GEBRVHLPBBOYQO-LBPRGKRZSA-N 2 0 328.378 3.204 10 0 EGAERP Cc1cc(NC[C@H]2C[C@@H]([NH+](C)C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000656211738 461651334 /nfs/dbraw/zinc/65/13/34/461651334.db2.gz JYGHFSHFELROAV-BETUJISGSA-N 2 0 335.398 3.319 10 0 EGAERP C[N@H+](Cc1ccccc1NC(=O)NC/C=C\C[NH3+])C1CCCCC1 ZINC000666657009 461742707 /nfs/dbraw/zinc/74/27/07/461742707.db2.gz FEKOTDFGBSYSJT-FPLPWBNLSA-N 2 0 330.476 3.088 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]CCc2cccc3[nH]ccc32)cc1 ZINC000669686259 461767428 /nfs/dbraw/zinc/76/74/28/461767428.db2.gz DMEJAWFKTGPFFB-UHFFFAOYSA-N 2 0 337.467 3.441 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953593 461886328 /nfs/dbraw/zinc/88/63/28/461886328.db2.gz BQPHMPCTZZUGRZ-CRAIPNDOSA-N 2 0 329.488 3.259 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)cc1OC(F)F ZINC000650719300 461910947 /nfs/dbraw/zinc/91/09/47/461910947.db2.gz KSRINWORQXUDGO-UHFFFAOYSA-N 2 0 336.382 3.306 10 0 EGAERP CC[C@@H]([NH2+]CCC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@H]1CCCCO1 ZINC000653875740 461912387 /nfs/dbraw/zinc/91/23/87/461912387.db2.gz ZBRZHGSZLHXOGE-QGFMHUBQSA-N 2 0 326.525 3.251 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650757194 461936848 /nfs/dbraw/zinc/93/68/48/461936848.db2.gz RDLPTWUASLDILV-AVRDEDQJSA-N 3 0 337.511 3.406 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CC[NH2+]CC2)CC1 ZINC000650761831 461940665 /nfs/dbraw/zinc/94/06/65/461940665.db2.gz LMUPQCPNPUFTFD-SFHVURJKSA-N 3 0 329.532 3.061 10 0 EGAERP CC(C)[C@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCCCCC1 ZINC000657302926 462029475 /nfs/dbraw/zinc/02/94/75/462029475.db2.gz HZDHEYMOYCAAAM-FQEVSTJZSA-N 2 0 341.503 3.258 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432628 462119389 /nfs/dbraw/zinc/11/93/89/462119389.db2.gz ULYALDYMJDUPKS-JRSUCEMESA-N 2 0 328.500 3.444 10 0 EGAERP COc1ccc2c(c1)CCC[C@@H]2C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657438109 462124247 /nfs/dbraw/zinc/12/42/47/462124247.db2.gz VDGVXTICHQYXBI-QGZVFWFLSA-N 2 0 348.450 3.486 10 0 EGAERP Cc1cccc(OCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1C ZINC000657452393 462133395 /nfs/dbraw/zinc/13/33/95/462133395.db2.gz RWYYWFRCFNIEGO-UHFFFAOYSA-N 2 0 336.439 3.443 10 0 EGAERP c1c2ccccc2oc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536446 462170609 /nfs/dbraw/zinc/17/06/09/462170609.db2.gz JCMAKDOICOQXLD-UHFFFAOYSA-N 2 0 328.456 3.413 10 0 EGAERP Fc1ccc(C[C@H]2CC[N@H+](Cc3ccnn3-c3ccncc3)C2)cc1 ZINC000667642970 462186120 /nfs/dbraw/zinc/18/61/20/462186120.db2.gz PQZKTHBFKQDPID-QGZVFWFLSA-N 2 0 336.414 3.471 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc4ccccc4o3)cc2)C1 ZINC000657596527 462197354 /nfs/dbraw/zinc/19/73/54/462197354.db2.gz XFZXWRDVDLHSST-IBGZPJMESA-N 2 0 336.435 3.289 10 0 EGAERP Cc1cccc2[nH]c(C[NH2+]Cc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)cc21 ZINC000657598064 462199560 /nfs/dbraw/zinc/19/95/60/462199560.db2.gz XQIHHILLUNWTOS-FQEVSTJZSA-N 2 0 349.478 3.333 10 0 EGAERP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000657666845 462222134 /nfs/dbraw/zinc/22/21/34/462222134.db2.gz UETTUFKOUNQJHP-YLJYHZDGSA-N 2 0 332.488 3.208 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678378 462227330 /nfs/dbraw/zinc/22/73/30/462227330.db2.gz QEQFEFSXYUHLDL-GOSISDBHSA-N 2 0 339.487 3.072 10 0 EGAERP CCC[N@@H+]1CC[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657741188 462247236 /nfs/dbraw/zinc/24/72/36/462247236.db2.gz FFSIOOWRDLMYRE-WOJBJXKFSA-N 2 0 327.516 3.258 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+][C@H](COC)CC2CCOCC2)c1 ZINC000657872961 462304199 /nfs/dbraw/zinc/30/41/99/462304199.db2.gz VAANFQUKJUZTEB-FQEVSTJZSA-N 2 0 334.504 3.060 10 0 EGAERP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C(C)(C)C(F)F ZINC000657874726 462304676 /nfs/dbraw/zinc/30/46/76/462304676.db2.gz YPYKCKOHRITTNH-AWEZNQCLSA-N 2 0 328.447 3.439 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2[C@@H]3CCC[C@@H]3C2(C)C)(N2CCCCC2)CC1 ZINC000657892807 462310258 /nfs/dbraw/zinc/31/02/58/462310258.db2.gz MWEVWBMAZMVSNB-CEXWTWQISA-N 2 0 333.564 3.351 10 0 EGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713788 462312462 /nfs/dbraw/zinc/31/24/62/462312462.db2.gz DOTGESZRRRAQPY-GDBMZVCRSA-N 2 0 340.870 3.293 10 0 EGAERP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657919964 462318356 /nfs/dbraw/zinc/31/83/56/462318356.db2.gz SKGDMMGWDBQBLY-OWCLPIDISA-N 2 0 331.460 3.368 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000658063632 462363362 /nfs/dbraw/zinc/36/33/62/462363362.db2.gz KQVSPFQOJMXREC-SJORKVTESA-N 2 0 327.472 3.476 10 0 EGAERP CCC1(CC)[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@@H]1OC ZINC000658068328 462365932 /nfs/dbraw/zinc/36/59/32/462365932.db2.gz WDFCOKIIIUIKGB-OALUTQOASA-N 2 0 338.536 3.061 10 0 EGAERP Fc1cncc([C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CC2)c1 ZINC000658071530 462367366 /nfs/dbraw/zinc/36/73/66/462367366.db2.gz XKRGAWRCKQMUOY-HXUWFJFHSA-N 2 0 347.478 3.152 10 0 EGAERP FCC[C@H]1CCC[N@H+](CCOCC[NH+]2CCC[C@@H](CCF)C2)C1 ZINC000661690320 462368500 /nfs/dbraw/zinc/36/85/00/462368500.db2.gz LUDBWUKRAOILON-HDICACEKSA-N 2 0 332.479 3.146 10 0 EGAERP COC[C@@H](CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000658081115 462374842 /nfs/dbraw/zinc/37/48/42/462374842.db2.gz FXGXFFLSJAVAPE-QGZVFWFLSA-N 2 0 328.541 3.307 10 0 EGAERP Cc1cc(Br)c(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)s1 ZINC000665267271 462377187 /nfs/dbraw/zinc/37/71/87/462377187.db2.gz TUTDDFCQXHEXGX-IJLUTSLNSA-N 2 0 329.307 3.297 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665276947 462380189 /nfs/dbraw/zinc/38/01/89/462380189.db2.gz POFCXAYCOLEAEA-HMXCVIKNSA-N 3 0 341.543 3.266 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)c1ccc(OCc2nccn2C)cc1 ZINC000665281264 462383272 /nfs/dbraw/zinc/38/32/72/462383272.db2.gz YRZIUYGJZOZFTL-CRAIPNDOSA-N 2 0 330.476 3.023 10 0 EGAERP CCCc1ccc([C@H](C)[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000665285247 462384478 /nfs/dbraw/zinc/38/44/78/462384478.db2.gz HPCLKFNPJFOVKQ-KRWDZBQOSA-N 2 0 345.531 3.280 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)c(F)c(C)c2)CC1 ZINC000665287782 462386158 /nfs/dbraw/zinc/38/61/58/462386158.db2.gz USKXAFGXJGKJBU-MRXNPFEDSA-N 2 0 349.494 3.084 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H](C3CC3)C3CCCC3)cc2)C1 ZINC000658137324 462400241 /nfs/dbraw/zinc/40/02/41/462400241.db2.gz KJGJYFINLOMJSF-RTWAWAEBSA-N 2 0 328.500 3.312 10 0 EGAERP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138322 462403058 /nfs/dbraw/zinc/40/30/58/462403058.db2.gz JDYSZDZSVZPDTA-MAUKXSAKSA-N 2 0 330.497 3.474 10 0 EGAERP c1ccc(C[NH+]2CC[C@]3(CC[N@@H+](CCC[C@@H]4CCOC4)C3)C2)cc1 ZINC000645910629 462465353 /nfs/dbraw/zinc/46/53/53/462465353.db2.gz SNEDZFWTYPPQMQ-RTWAWAEBSA-N 2 0 328.500 3.401 10 0 EGAERP CC(C)C[N@H+](C)CCCN[C@H](C)[C@H](c1ccccc1)N1CCOCC1 ZINC000652221962 462477348 /nfs/dbraw/zinc/47/73/48/462477348.db2.gz AUTQMGWWOHVOMG-TZIWHRDSSA-N 2 0 347.547 3.016 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](CCOc1cccc3ccccc31)CCO2 ZINC000646103581 462518903 /nfs/dbraw/zinc/51/89/03/462518903.db2.gz JXBDDXJIWNKCBT-UHFFFAOYSA-N 2 0 340.467 3.015 10 0 EGAERP C[NH+]1CCN(CCC[NH2+][C@H](Cc2ccccc2)C2CCCCC2)CC1 ZINC000162529587 546964904 /nfs/dbraw/zinc/96/49/04/546964904.db2.gz SCBZJLOBVTYVOV-JOCHJYFZSA-N 2 0 343.559 3.405 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000182012914 547075294 /nfs/dbraw/zinc/07/52/94/547075294.db2.gz YYBYQIMJBYSEKQ-FXAWDEMLSA-N 2 0 339.483 3.065 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CC[NH+](C)CC1 ZINC000310786029 547461943 /nfs/dbraw/zinc/46/19/43/547461943.db2.gz CQOCSIZJAJVPFK-ZHNGQKSSSA-N 3 0 341.543 3.217 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000383697005 547821525 /nfs/dbraw/zinc/82/15/25/547821525.db2.gz ROXMITOBUIGQHZ-JRSUCEMESA-N 2 0 328.500 3.444 10 0 EGAERP CC(C)n1cncc1C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12 ZINC000385757139 547824521 /nfs/dbraw/zinc/82/45/21/547824521.db2.gz SVOGBXQPMHUOTB-HLAWJBBLSA-N 2 0 338.499 3.464 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCC(F)(F)C2)CC1 ZINC000678994666 549612721 /nfs/dbraw/zinc/61/27/21/549612721.db2.gz RNRPXWWNSWPWPH-KRWDZBQOSA-N 2 0 337.458 3.496 10 0 EGAERP c1cc2cnccc2c(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)c1 ZINC000679983920 549801154 /nfs/dbraw/zinc/80/11/54/549801154.db2.gz FJPZHXYEMOQHFG-UHFFFAOYSA-N 2 0 339.483 3.169 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3cnccc3c2)C1 ZINC000683833262 550267092 /nfs/dbraw/zinc/26/70/92/550267092.db2.gz VKNOLCVDWAKDSA-HXUWFJFHSA-N 2 0 327.472 3.168 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H](OC)C2)cc1 ZINC000684370277 550320792 /nfs/dbraw/zinc/32/07/92/550320792.db2.gz RLRTZFJULFLDSV-QUCCMNQESA-N 2 0 334.504 3.454 10 0 EGAERP CC[C@H](C)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870020884 1295599056 /nfs/dbraw/zinc/59/90/56/1295599056.db2.gz WITKMQYGWAPNKB-PWIZWCRZSA-N 2 0 345.531 3.012 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C)C(C)(C)CC2)cc1 ZINC000871152693 1296240483 /nfs/dbraw/zinc/24/04/83/1296240483.db2.gz OIFDFMGWWUSWIJ-UHFFFAOYSA-N 2 0 331.504 3.085 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCOC3(CCCC3)C2)(N2CCCCC2)CC1 ZINC000872040483 1296690598 /nfs/dbraw/zinc/69/05/98/1296690598.db2.gz ZAPLEUBOLUIAKB-IBGZPJMESA-N 2 0 349.563 3.018 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000872073416 1296718337 /nfs/dbraw/zinc/71/83/37/1296718337.db2.gz QPWQYAZARQQOMJ-PKOBYXMFSA-N 2 0 349.519 3.095 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@@H]2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872109641 1296734522 /nfs/dbraw/zinc/73/45/22/1296734522.db2.gz PIWUTCZZWNCZTO-RKOGWWSCSA-N 2 0 332.488 3.235 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)c1ccc(Cl)cc1)[N@H+](C)CCCCCC[NH3+] ZINC000872155229 1296772649 /nfs/dbraw/zinc/77/26/49/1296772649.db2.gz OPTRSPPUOIZFGU-LSDHHAIUSA-N 2 0 339.911 3.357 10 0 EGAERP CCOc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)ccc1OC(=O)CC ZINC000872253949 1296853955 /nfs/dbraw/zinc/85/39/55/1296853955.db2.gz NHRSACPHBLOTHI-INIZCTEOSA-N 2 0 348.487 3.269 10 0 EGAERP C[C@@H]1C[C@@H](N2CCC[C@@]3(CCC[NH2+]C3)C2)C[N@@H+]1Cc1ccccc1 ZINC000310185137 1297092554 /nfs/dbraw/zinc/09/25/54/1297092554.db2.gz VTSBECGVIPHYJD-HMXCVIKNSA-N 2 0 327.516 3.115 10 0 EGAERP Brc1cncc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)c1 ZINC000873232585 1297374620 /nfs/dbraw/zinc/37/46/20/1297374620.db2.gz HRKOYHWDOGUDOT-OAHLLOKOSA-N 2 0 338.293 3.246 10 0 EGAERP [NH3+]CC1(CC(=O)NC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCCCC1 ZINC000361620162 1297499545 /nfs/dbraw/zinc/49/95/45/1297499545.db2.gz IXHRAZBKIARXNF-IBGZPJMESA-N 2 0 343.515 3.067 10 0 EGAERP COC(=O)[C@H]1CCC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397617577 1297701190 /nfs/dbraw/zinc/70/11/90/1297701190.db2.gz HPXVIFJHDIZVMU-PMACEKPBSA-N 2 0 344.499 3.220 10 0 EGAERP c1ccc(C[NH+]2CCC3(CC2)CC[NH+](CC2CC[NH2+]CC2)CC3)cc1 ZINC000709271480 1298247466 /nfs/dbraw/zinc/24/74/66/1298247466.db2.gz AAVZQQGYZZIKNB-UHFFFAOYSA-N 3 0 341.543 3.364 10 0 EGAERP C[NH+](C)C1CCC([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1 ZINC000715183432 1298279109 /nfs/dbraw/zinc/27/91/09/1298279109.db2.gz BEXJNRNPXUKEGW-WXFZTKORSA-N 2 0 339.524 3.285 10 0 EGAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000719937147 1298324948 /nfs/dbraw/zinc/32/49/48/1298324948.db2.gz KYBJCBBDQAXEMU-OAQYLSRUSA-N 3 0 329.532 3.220 10 0 EGAERP C[N@@H+](Cc1ccc(Cl)nn1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719934007 1298326963 /nfs/dbraw/zinc/32/69/63/1298326963.db2.gz PQSIDFANMBMLJV-UHFFFAOYSA-N 2 0 344.890 3.474 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@H]1CCOC2(CCOCC2)C1 ZINC000885905100 1303271154 /nfs/dbraw/zinc/27/11/54/1303271154.db2.gz HOCNBICKFCTWPZ-FQEVSTJZSA-N 2 0 344.499 3.100 10 0 EGAERP COC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000886540613 1303492748 /nfs/dbraw/zinc/49/27/48/1303492748.db2.gz IIYWPDLYZOBXDV-LHDHZVESSA-N 2 0 344.499 3.074 10 0 EGAERP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886609557 1303522102 /nfs/dbraw/zinc/52/21/02/1303522102.db2.gz WKIKRHUXDIWEEZ-PPQDBTBKSA-N 2 0 328.500 3.302 10 0 EGAERP COc1ccc(C[N@@H+]2CC[C@H](C3CC[NH+](C)CC3)C2)c(F)c1OC ZINC000894780079 1309067451 /nfs/dbraw/zinc/06/74/51/1309067451.db2.gz WLQANZCOLQUBAT-HNNXBMFYSA-N 2 0 336.451 3.007 10 0 EGAERP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@]12CC[N@H+](C1)CCC2 ZINC000895823471 1309537296 /nfs/dbraw/zinc/53/72/96/1309537296.db2.gz WFSSJEMUINUKAQ-NRFANRHFSA-N 2 0 341.499 3.139 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]CC4=CCCOC4)CC[C@@H]3C2)cc1 ZINC000898522735 1310777001 /nfs/dbraw/zinc/77/70/01/1310777001.db2.gz SVNQTNMCDPECQW-HKBOAZHASA-N 2 0 326.484 3.223 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC(CC)([NH+]2CCC2)CC1 ZINC000899562177 1317092002 /nfs/dbraw/zinc/09/20/02/1317092002.db2.gz QCLYNAFDVUWHME-UHFFFAOYSA-N 2 0 337.552 3.366 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000858110063 1328684686 /nfs/dbraw/zinc/68/46/86/1328684686.db2.gz HWBFTUYFJFNWJQ-GOEBONIOSA-N 2 0 331.460 3.167 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CN1C(=O)OC(C)(C)C ZINC000858284653 1328729245 /nfs/dbraw/zinc/72/92/45/1328729245.db2.gz MUNSJHKTPXYVIG-OAGGEKHMSA-N 2 0 339.524 3.237 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CN1C(=O)OC(C)(C)C ZINC000858284652 1328729761 /nfs/dbraw/zinc/72/97/61/1328729761.db2.gz MUNSJHKTPXYVIG-BZUAXINKSA-N 2 0 339.524 3.237 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]CC[Si](C)(C)CC[NH2+][C@@H]1CCOC1(C)C ZINC000859321677 1328967898 /nfs/dbraw/zinc/96/78/98/1328967898.db2.gz PJYZYQOUHASTSD-HZPDHXFCSA-N 2 0 342.600 3.009 10 0 EGAERP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cc[nH]c(=O)c3)cc2)CC1 ZINC000921501836 1322330353 /nfs/dbraw/zinc/33/03/53/1322330353.db2.gz NRSKVULZSDXNGO-UHFFFAOYSA-N 2 0 325.456 3.309 10 0 EGAERP Cc1cnc(Cl)c(CNC2CC[NH+](CCOC(C)C)CC2)c1 ZINC000921811064 1322402110 /nfs/dbraw/zinc/40/21/10/1322402110.db2.gz XSFSEJBEIAGHHV-UHFFFAOYSA-N 2 0 325.884 3.022 10 0 EGAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2c[nH]nc2-c2cccnc2)CC1 ZINC000922508989 1322544963 /nfs/dbraw/zinc/54/49/63/1322544963.db2.gz GKTVZMYPYHVSQU-UHFFFAOYSA-N 2 0 339.487 3.358 10 0 EGAERP c1ccc2c(c1)cccc2C1CC[NH+](C[C@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310603 1322730799 /nfs/dbraw/zinc/73/07/99/1322730799.db2.gz LAYDSIMXWILHOI-LJQANCHMSA-N 2 0 336.479 3.398 10 0 EGAERP COc1ccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923500894 1322764100 /nfs/dbraw/zinc/76/41/00/1322764100.db2.gz PRZCGMJECGPSPH-DZGCQCFKSA-N 2 0 331.485 3.235 10 0 EGAERP CCSc1ccccc1C[C@@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000924657549 1323097782 /nfs/dbraw/zinc/09/77/82/1323097782.db2.gz HIEZNPOFFURBAK-GOSISDBHSA-N 2 0 349.588 3.347 10 0 EGAERP CN1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000924746820 1323143643 /nfs/dbraw/zinc/14/36/43/1323143643.db2.gz HQBBWLOAWFJWQN-WVVQBRDUSA-N 2 0 327.516 3.256 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@H]1CCCc2ncc(Br)cc21 ZINC000924856690 1323189118 /nfs/dbraw/zinc/18/91/18/1323189118.db2.gz XMKZWRIUUWKKOI-AWEZNQCLSA-N 2 0 326.282 3.153 10 0 EGAERP C[C@]12CN(Cc3cc[nH]c(=O)c3)C[C@@]1(C)C[N@H+](Cc1ccccc1)C2 ZINC000931223620 1329074234 /nfs/dbraw/zinc/07/42/34/1329074234.db2.gz DRVRLARNBSGDCL-OYRHEFFESA-N 2 0 337.467 3.131 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](CN[C@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000924939116 1323221033 /nfs/dbraw/zinc/22/10/33/1323221033.db2.gz QHWBLYYIFIVYOC-BHIFYINESA-N 2 0 341.543 3.158 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000924956206 1323227156 /nfs/dbraw/zinc/22/71/56/1323227156.db2.gz VIBHYZGWEWIJNE-ICSRJNTNSA-N 2 0 332.536 3.151 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(C)(C)CO ZINC000925131079 1325057721 /nfs/dbraw/zinc/05/77/21/1325057721.db2.gz AVRLUHKYIBDVOK-MRXNPFEDSA-N 2 0 330.472 3.408 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)nc2c1 ZINC000925480402 1325168582 /nfs/dbraw/zinc/16/85/82/1325168582.db2.gz KAQNKKBJYVKCOX-DLBZAZTESA-N 2 0 326.488 3.253 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]Cc1nccn1CC(F)(F)F)c1ccccc1 ZINC000925478711 1325169113 /nfs/dbraw/zinc/16/91/13/1325169113.db2.gz PCWBHJDXPAEZJQ-AWEZNQCLSA-N 2 0 326.366 3.015 10 0 EGAERP COc1ccccc1[C@@H](CN[C@@H]1CC[NH2+]C12CCC2)[NH+]1CCCCC1 ZINC000925483756 1325170395 /nfs/dbraw/zinc/17/03/95/1325170395.db2.gz YBVIRZAXBLSUOU-UYAOXDASSA-N 2 0 343.515 3.096 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925486969 1325172820 /nfs/dbraw/zinc/17/28/20/1325172820.db2.gz VAPKZIPSSMYFBT-SYAUCNOPSA-N 2 0 342.405 3.105 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2)Oc1ccc(Br)cc1 ZINC000925515992 1325186092 /nfs/dbraw/zinc/18/60/92/1325186092.db2.gz QWSDUFOPWYIHCA-BYCMXARLSA-N 2 0 339.277 3.076 10 0 EGAERP COc1ccc([C@H](CN[C@H]2CC[NH2+]C23CCCC3)[NH+]2CCCC2)cc1 ZINC000925509112 1325183096 /nfs/dbraw/zinc/18/30/96/1325183096.db2.gz LPBRAEARUINMEE-PMACEKPBSA-N 2 0 343.515 3.096 10 0 EGAERP COc1ccc([C@H](CN[C@H]2C[C@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000925509368 1325183448 /nfs/dbraw/zinc/18/34/48/1325183448.db2.gz MLFVDQYVCALBSL-BJLQDIEVSA-N 2 0 345.531 3.328 10 0 EGAERP COc1cc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)ccc1OC(F)F ZINC000925510895 1325184547 /nfs/dbraw/zinc/18/45/47/1325184547.db2.gz BHOGMOXXLLWUFQ-CHWSQXEVSA-N 2 0 328.403 3.292 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925536321 1325196363 /nfs/dbraw/zinc/19/63/63/1325196363.db2.gz CZLGGIGIKACACM-CHWSQXEVSA-N 2 0 328.403 3.292 10 0 EGAERP CCn1nc(C)c([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)n1 ZINC000925610156 1325229978 /nfs/dbraw/zinc/22/99/78/1325229978.db2.gz ZCXHOVQRHIDYAE-FAEJEUNOSA-N 2 0 333.524 3.300 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C12CCC2 ZINC000925612056 1325231032 /nfs/dbraw/zinc/23/10/32/1325231032.db2.gz HQLBRQZRAPFVRY-PMACEKPBSA-N 2 0 348.494 3.004 10 0 EGAERP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccccc1Cl ZINC000925639947 1325243075 /nfs/dbraw/zinc/24/30/75/1325243075.db2.gz NQSTYCVCURJCRV-LZQZEXGQSA-N 2 0 336.907 3.305 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000925641906 1325243362 /nfs/dbraw/zinc/24/33/62/1325243362.db2.gz CVNPLNXZIJILER-ZIAGYGMSSA-N 2 0 345.409 3.061 10 0 EGAERP CC1(C)[C@H]([NH2+][C@@H]2CCO[C@H](c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925648098 1325246730 /nfs/dbraw/zinc/24/67/30/1325246730.db2.gz OJYRCMFPDQTGHP-ZSXDVEMLSA-N 2 0 332.463 3.412 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653556 1325248283 /nfs/dbraw/zinc/24/82/83/1325248283.db2.gz NCHRJBKPGKRVRY-RSPOEFSDSA-N 2 0 327.516 3.269 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]C[C@@H](n1cccn1)C(F)(F)F)c1ccccc1 ZINC000925723319 1325270165 /nfs/dbraw/zinc/27/01/65/1325270165.db2.gz PJIBMDXNGNYBLQ-HUUCEWRRSA-N 2 0 326.366 3.056 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)ccc1OC ZINC000925783612 1325300392 /nfs/dbraw/zinc/30/03/92/1325300392.db2.gz FXCSFNWFDVVDHI-GJYPPUQNSA-N 3 0 333.520 3.043 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000925808212 1325309833 /nfs/dbraw/zinc/30/98/33/1325309833.db2.gz BABCODHQZFKLPZ-SNVBAGLBSA-N 2 0 334.266 3.206 10 0 EGAERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000925808549 1325309564 /nfs/dbraw/zinc/30/95/64/1325309564.db2.gz MEHYRAFOIDVCAR-MRXNPFEDSA-N 2 0 330.303 3.457 10 0 EGAERP CCCCCOc1ccc([C@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925809014 1325309723 /nfs/dbraw/zinc/30/97/23/1325309723.db2.gz GVYAJVPMAMZQJI-KRWDZBQOSA-N 2 0 333.520 3.329 10 0 EGAERP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)o1 ZINC000925807746 1325309735 /nfs/dbraw/zinc/30/97/35/1325309735.db2.gz HNROLNILKMYWRD-MRXNPFEDSA-N 2 0 327.472 3.098 10 0 EGAERP OC1(C(F)(F)F)CCC([NH2+]CCCCCC2CC[NH2+]CC2)CC1 ZINC000925807903 1325310094 /nfs/dbraw/zinc/31/00/94/1325310094.db2.gz LIKJYRBGTGJTCU-UHFFFAOYSA-N 2 0 336.442 3.372 10 0 EGAERP CC(C)[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cc1F ZINC000925811992 1325312156 /nfs/dbraw/zinc/31/21/56/1325312156.db2.gz LURBULSQGQWPIS-KRWDZBQOSA-N 2 0 327.875 3.189 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccnc1 ZINC000925817867 1325314450 /nfs/dbraw/zinc/31/44/50/1325314450.db2.gz SFKIEKUOTJSKTF-NRFANRHFSA-N 2 0 338.499 3.118 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000925817133 1325314681 /nfs/dbraw/zinc/31/46/81/1325314681.db2.gz NNSWRVFEGPFXCE-QFBILLFUSA-N 2 0 335.923 3.379 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925841827 1325323371 /nfs/dbraw/zinc/32/33/71/1325323371.db2.gz UEQGHJMEVZRYCH-HMXCVIKNSA-N 2 0 336.483 3.372 10 0 EGAERP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000925841595 1325324272 /nfs/dbraw/zinc/32/42/72/1325324272.db2.gz RABYZWUOPKBGQX-HRYATBACSA-N 2 0 332.488 3.318 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000925848154 1325328767 /nfs/dbraw/zinc/32/87/67/1325328767.db2.gz BAIHBXJNJJJQQZ-HNNXBMFYSA-N 2 0 341.446 3.014 10 0 EGAERP CCCCCC[C@@H]1CCC[C@H]1[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925849189 1325329466 /nfs/dbraw/zinc/32/94/66/1325329466.db2.gz BPXDBCLFTIJQIO-KZNAEPCWSA-N 2 0 336.520 3.400 10 0 EGAERP CC(C)(C)C[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925849147 1325329802 /nfs/dbraw/zinc/32/98/02/1325329802.db2.gz AQKHXMGFCVTXHQ-ROUUACIJSA-N 2 0 344.499 3.439 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)C[C@H]1[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925887406 1325344228 /nfs/dbraw/zinc/34/42/28/1325344228.db2.gz CBEWNFNBDXCWHT-XSEFMFLKSA-N 2 0 349.522 3.156 10 0 EGAERP C[C@H]([NH2+]C1CC2(C1)CO[C@H](C)C2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926112496 1325434019 /nfs/dbraw/zinc/43/40/19/1325434019.db2.gz WSBNSIYRCKVDJA-WOLZGOLVSA-N 2 0 328.500 3.444 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000926200691 1325467733 /nfs/dbraw/zinc/46/77/33/1325467733.db2.gz IUPPBMQXXDXXPN-CHWSQXEVSA-N 2 0 349.466 3.444 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000926635574 1327645154 /nfs/dbraw/zinc/64/51/54/1327645154.db2.gz PEHKKQAMTAKIJO-MXEMCNAFSA-N 2 0 328.500 3.127 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+]C3C[C@H]4CC[C@@H](C3)S4)CC2)ccn1 ZINC000926691925 1327668239 /nfs/dbraw/zinc/66/82/39/1327668239.db2.gz FHOQVUHGIZAKSE-YQQQUEKLSA-N 2 0 331.529 3.310 10 0 EGAERP CCc1noc([C@H]2CC[C@@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)n1 ZINC000927052005 1327831054 /nfs/dbraw/zinc/83/10/54/1327831054.db2.gz IPFUTBGNYAVMNV-DOTOQJQBSA-N 2 0 334.508 3.368 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)N3CCCC3)cc2)CC1 ZINC000865451587 1329699166 /nfs/dbraw/zinc/69/91/66/1329699166.db2.gz SFBPFXBGYULYBT-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cccc(CNC(=O)OC(C)(C)C)c2)C1 ZINC000865615656 1329720418 /nfs/dbraw/zinc/72/04/18/1329720418.db2.gz BOANSVOTLRGQPK-HDICACEKSA-N 2 0 347.503 3.141 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CC[C@@H]1CCSC1 ZINC000865654693 1329725772 /nfs/dbraw/zinc/72/57/72/1329725772.db2.gz RSBFJHCTBWGFPJ-GOSISDBHSA-N 2 0 334.529 3.394 10 0 EGAERP Cc1nn(-c2ccccn2)c(C)c1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765273 1329736551 /nfs/dbraw/zinc/73/65/51/1329736551.db2.gz OPLFIPPJQHXTQI-UHFFFAOYSA-N 2 0 341.503 3.237 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)(c2ccccc2)CC1 ZINC000865774184 1329736813 /nfs/dbraw/zinc/73/68/13/1329736813.db2.gz GHGGRCZJQVEYDC-LJQANCHMSA-N 3 0 329.532 3.112 10 0 EGAERP CCOc1cccc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)n1 ZINC000865773467 1329737012 /nfs/dbraw/zinc/73/70/12/1329737012.db2.gz AJBXHPFAVKLHSL-UHFFFAOYSA-N 2 0 339.483 3.234 10 0 EGAERP COc1cncc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)c1C ZINC000865774637 1329737122 /nfs/dbraw/zinc/73/71/22/1329737122.db2.gz KLHYURTYULPGJD-UHFFFAOYSA-N 2 0 339.483 3.152 10 0 EGAERP c1ccc(C2([NH+]3CCCC3)CCN(CC[NH+]3CCCC3)CC2)cc1 ZINC000933551303 1329900111 /nfs/dbraw/zinc/90/01/11/1329900111.db2.gz VWNDBPYTBZFHJG-UHFFFAOYSA-N 2 0 327.516 3.169 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000866225533 1330080828 /nfs/dbraw/zinc/08/08/28/1330080828.db2.gz ABJOYOONTOLWNU-DNVCBOLYSA-N 2 0 333.495 3.065 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000866225535 1330080865 /nfs/dbraw/zinc/08/08/65/1330080865.db2.gz ABJOYOONTOLWNU-KXBFYZLASA-N 2 0 333.495 3.065 10 0 EGAERP CC(C)[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000866385468 1330104877 /nfs/dbraw/zinc/10/48/77/1330104877.db2.gz MGOWLABUOAKNQH-HXUWFJFHSA-N 2 0 331.504 3.259 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(N2CCOCC2)c1 ZINC000866515600 1330120539 /nfs/dbraw/zinc/12/05/39/1330120539.db2.gz DMPOXWDUJJULPF-FQVISZRSSA-N 2 0 345.531 3.437 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccccc1-n1ccnn1 ZINC000866517348 1330121144 /nfs/dbraw/zinc/12/11/44/1330121144.db2.gz HHCNDJAFYRYWNW-MDCZIUGASA-N 2 0 327.476 3.181 10 0 EGAERP C[NH2+]Cc1ccc(NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)cc1 ZINC000868167864 1330258065 /nfs/dbraw/zinc/25/80/65/1330258065.db2.gz NNADNOKUSCNUSQ-UHFFFAOYSA-N 2 0 346.519 3.238 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001323509068 1387379109 /nfs/dbraw/zinc/37/91/09/1387379109.db2.gz RAIPIBVMFPOLEW-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001323641818 1387415808 /nfs/dbraw/zinc/41/58/08/1387415808.db2.gz KMLDJJHFZGVVOV-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP Cc1c(C(=O)N(C)C2C[NH+](C[C@@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001323945178 1387498786 /nfs/dbraw/zinc/49/87/86/1387498786.db2.gz HZBTZUFJCRDDSX-HNNXBMFYSA-N 2 0 342.487 3.081 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)cc1 ZINC001324087275 1387535968 /nfs/dbraw/zinc/53/59/68/1387535968.db2.gz IBIUHWCPZMNOHU-UYAOXDASSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CCC(C)C)[NH+](CC)CC ZINC001324538303 1387663845 /nfs/dbraw/zinc/66/38/45/1387663845.db2.gz ZGXHAXISNUMLFN-CEXWTWQISA-N 2 0 337.552 3.218 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001324667942 1387724830 /nfs/dbraw/zinc/72/48/30/1387724830.db2.gz BMNYKMBTFWYQBX-OAQYLSRUSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001324804909 1387779891 /nfs/dbraw/zinc/77/98/91/1387779891.db2.gz WHPYXNLPUWXGKH-NRFANRHFSA-N 2 0 343.515 3.156 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC001325271696 1387925974 /nfs/dbraw/zinc/92/59/74/1387925974.db2.gz DEMMWKRIJNWXFT-IAGOWNOFSA-N 2 0 348.560 3.406 10 0 EGAERP CN1CCC[C@@H]2[C@@H]1CC[N@@H+]2Cc1ccc(C[NH+]2CCCCC2)cc1 ZINC001197498156 1368826984 /nfs/dbraw/zinc/82/69/84/1368826984.db2.gz XLRISIUHZRGJOG-LEWJYISDSA-N 2 0 327.516 3.341 10 0 EGAERP Cc1nnsc1[C@@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001197912188 1368922389 /nfs/dbraw/zinc/92/23/89/1368922389.db2.gz XFGYIMIMWLGWOM-NXHRZFHOSA-N 2 0 342.512 3.361 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001325465650 1387982313 /nfs/dbraw/zinc/98/23/13/1387982313.db2.gz HYKYGNXCGNZVKL-YLJYHZDGSA-N 2 0 343.515 3.155 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001325476629 1387987001 /nfs/dbraw/zinc/98/70/01/1387987001.db2.gz PVYOHJUOSAEKOS-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)C ZINC001325916953 1388080452 /nfs/dbraw/zinc/08/04/52/1388080452.db2.gz KGSRHYXVLZDJQM-VAMGGRTRSA-N 2 0 349.563 3.362 10 0 EGAERP C[N@H+](CCC(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001326326699 1388154825 /nfs/dbraw/zinc/15/48/25/1388154825.db2.gz USQKLBCGYYJITJ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CC(C)C)cc1 ZINC001326470232 1388205773 /nfs/dbraw/zinc/20/57/73/1388205773.db2.gz ZGHSJOACRFDFKX-PXNSSMCTSA-N 2 0 345.531 3.484 10 0 EGAERP CCCCCC[NH+]1CCC2(CN(C(=O)CC[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001326585825 1388248971 /nfs/dbraw/zinc/24/89/71/1388248971.db2.gz NDALCGIREQIZII-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)c1ccc(C[NH2+]C2(CNC(=O)C[NH+]3CCCC3)CCC2)cc1 ZINC001326930024 1388354384 /nfs/dbraw/zinc/35/43/84/1388354384.db2.gz ZIZQOEGARVKVEA-UHFFFAOYSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)CC1 ZINC001327173189 1388421450 /nfs/dbraw/zinc/42/14/50/1388421450.db2.gz OAEFGLGLZPBZIR-VQIMIIECSA-N 2 0 349.494 3.198 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001266221865 1377234108 /nfs/dbraw/zinc/23/41/08/1377234108.db2.gz JTMXIYUYMKFOOO-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001266234682 1377240960 /nfs/dbraw/zinc/24/09/60/1377240960.db2.gz IZDPSULEPNMSGW-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CCc1ccc([C@H](CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC001135926519 1377265439 /nfs/dbraw/zinc/26/54/39/1377265439.db2.gz LCRPBJKRQNFVQD-AABGKKOBSA-N 2 0 345.531 3.088 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001266501709 1377323483 /nfs/dbraw/zinc/32/34/83/1377323483.db2.gz HTIVDQVPMBAXGJ-BGYRXZFFSA-N 2 0 343.515 3.227 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC001136164135 1377359699 /nfs/dbraw/zinc/35/96/99/1377359699.db2.gz HYSQXMJMDGMTBK-IAGOWNOFSA-N 2 0 331.504 3.445 10 0 EGAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724602 1377367305 /nfs/dbraw/zinc/36/73/05/1377367305.db2.gz USJRKPZBIRUZOL-IBGZPJMESA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267072641 1377410611 /nfs/dbraw/zinc/41/06/11/1377410611.db2.gz GKTHGXGZKHHEOH-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001267117138 1377414384 /nfs/dbraw/zinc/41/43/84/1377414384.db2.gz PFVQFKDXSYXRNU-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267133582 1377416378 /nfs/dbraw/zinc/41/63/78/1377416378.db2.gz JKYINHOFBMJYBE-NFAHFFEMSA-N 2 0 328.460 3.097 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCC1 ZINC001267133480 1377416413 /nfs/dbraw/zinc/41/64/13/1377416413.db2.gz HSDRBKVRNCQDTH-INIZCTEOSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1)C1CCC1 ZINC001267521226 1377451065 /nfs/dbraw/zinc/45/10/65/1377451065.db2.gz RKWUCTOQBZEAPN-IBGZPJMESA-N 2 0 345.531 3.354 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001267531809 1377452720 /nfs/dbraw/zinc/45/27/20/1377452720.db2.gz ZFQQTOUOIIDYDA-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCCC3CCCC3)CCCC2)C1 ZINC001267841607 1377474899 /nfs/dbraw/zinc/47/48/99/1377474899.db2.gz VJTHRTFSHALMAM-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001268164641 1377490547 /nfs/dbraw/zinc/49/05/47/1377490547.db2.gz YCBACUZMTJIUTN-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CC[C@@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1)c1ccccc1 ZINC001269544918 1377557994 /nfs/dbraw/zinc/55/79/94/1377557994.db2.gz XKOGZRUFSYRBOW-RTBURBONSA-N 2 0 343.515 3.251 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001269681695 1377563600 /nfs/dbraw/zinc/56/36/00/1377563600.db2.gz RAELMOJVTNVKFM-BGYRXZFFSA-N 2 0 347.547 3.282 10 0 EGAERP CC1CC(C[NH2+]CC[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001269800234 1377573645 /nfs/dbraw/zinc/57/36/45/1377573645.db2.gz ZIHQZCCFIAAPOG-GPJFCIFZSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@]2(C)CCC[N@H+](CCC(C)(C)C)C2)CCC1 ZINC001270966207 1377619625 /nfs/dbraw/zinc/61/96/25/1377619625.db2.gz VQHGFALYGVEKHO-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1ccccc1CC[NH+](C)C ZINC001271051004 1377622573 /nfs/dbraw/zinc/62/25/73/1377622573.db2.gz DHQZPAJJGHDSNO-QGZVFWFLSA-N 2 0 347.547 3.277 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001271090996 1377623750 /nfs/dbraw/zinc/62/37/50/1377623750.db2.gz DDOZPNYPWDCHHH-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001272152603 1377658817 /nfs/dbraw/zinc/65/88/17/1377658817.db2.gz YVOBOABMXUQNON-UXHICEINSA-N 2 0 345.531 3.006 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001273782775 1378111563 /nfs/dbraw/zinc/11/15/63/1378111563.db2.gz NVTHZYMZOJOUHF-SQNIBIBYSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001327489314 1388533833 /nfs/dbraw/zinc/53/38/33/1388533833.db2.gz XPZJDTKWWKCQMY-GOSISDBHSA-N 2 0 339.568 3.370 10 0 EGAERP CCCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001275866740 1378160108 /nfs/dbraw/zinc/16/01/08/1378160108.db2.gz XTGKZWKBKADGQG-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@@H]12 ZINC001278450781 1378271443 /nfs/dbraw/zinc/27/14/43/1378271443.db2.gz FQQBVTFDZWCKDW-PXCRPINLSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC001278450778 1378272007 /nfs/dbraw/zinc/27/20/07/1378272007.db2.gz FQQBVTFDZWCKDW-JTJHWIPRSA-N 2 0 349.563 3.410 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001278473343 1378274672 /nfs/dbraw/zinc/27/46/72/1378274672.db2.gz HTEGXGVXKHIUCG-CTNGQTDRSA-N 2 0 347.547 3.166 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001278664547 1378286416 /nfs/dbraw/zinc/28/64/16/1378286416.db2.gz ZAEODTKBWYWEGF-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001280264737 1378338587 /nfs/dbraw/zinc/33/85/87/1378338587.db2.gz ZNONRQYWXCPTQU-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC(C)CC1 ZINC001281968817 1378465668 /nfs/dbraw/zinc/46/56/68/1378465668.db2.gz PFEXEIQGZDHUEW-CTWPCTMYSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001282213771 1378487518 /nfs/dbraw/zinc/48/75/18/1378487518.db2.gz GMSKQDFDDREVEN-SJORKVTESA-N 2 0 347.547 3.092 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001282213768 1378487636 /nfs/dbraw/zinc/48/76/36/1378487636.db2.gz GMSKQDFDDREVEN-IAGOWNOFSA-N 2 0 347.547 3.092 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001282312621 1378496093 /nfs/dbraw/zinc/49/60/93/1378496093.db2.gz FIUBPWCORYZEGO-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001282653841 1378525701 /nfs/dbraw/zinc/52/57/01/1378525701.db2.gz USKKVRUQEDMEGT-PMACEKPBSA-N 2 0 345.531 3.020 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC001282677612 1378547552 /nfs/dbraw/zinc/54/75/52/1378547552.db2.gz CMBCIURKWJZDRE-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCCC3)C[C@H]2C1 ZINC001282959296 1378686748 /nfs/dbraw/zinc/68/67/48/1378686748.db2.gz UKIJXVGMIFLFNC-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001283450256 1378946315 /nfs/dbraw/zinc/94/63/15/1378946315.db2.gz YZLXEZWQMQZECA-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001283456969 1378955024 /nfs/dbraw/zinc/95/50/24/1378955024.db2.gz LIYHJXWOACQWLD-MOPGFXCFSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001284056590 1379407355 /nfs/dbraw/zinc/40/73/55/1379407355.db2.gz HNTDEUXEJLKMGL-TZIWHRDSSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001284131665 1379513094 /nfs/dbraw/zinc/51/30/94/1379513094.db2.gz NJGCVOVWROTWKC-GLCUZYPYSA-N 2 0 349.563 3.434 10 0 EGAERP O=C(N[C@@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1)C12CCC[NH+]1CCC2 ZINC001284191600 1379584323 /nfs/dbraw/zinc/58/43/23/1379584323.db2.gz QOXDXFLTIYPAOZ-RBUKOAKNSA-N 2 0 347.547 3.070 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284193952 1379587286 /nfs/dbraw/zinc/58/72/86/1379587286.db2.gz HSYIHHUZDFSREO-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001284334788 1379729781 /nfs/dbraw/zinc/72/97/81/1379729781.db2.gz HFJPQYIAJMQDBL-MJGOQNOKSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001284602391 1380002802 /nfs/dbraw/zinc/00/28/02/1380002802.db2.gz CJFJLHUQISRASE-INIZCTEOSA-N 2 0 325.541 3.168 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001327991064 1388639666 /nfs/dbraw/zinc/63/96/66/1388639666.db2.gz RJANBQSYZPQRHT-INIZCTEOSA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(C)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327995134 1388640977 /nfs/dbraw/zinc/64/09/77/1388640977.db2.gz HKKMCLAXEHVEBK-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH+]1CCC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001284695525 1380109060 /nfs/dbraw/zinc/10/90/60/1380109060.db2.gz SPQUAPJQINDTHM-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(C)([NH2+]CCCC3CCCC3)CC2)C1 ZINC001328016887 1388645666 /nfs/dbraw/zinc/64/56/66/1388645666.db2.gz FDRPLPVQADFGBQ-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328049426 1388653779 /nfs/dbraw/zinc/65/37/79/1388653779.db2.gz FXKFMKAHYXNTCU-QCUYKYDPSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+](CCC)C2)CC1 ZINC001284948498 1380326579 /nfs/dbraw/zinc/32/65/79/1380326579.db2.gz KQMMCRKDQCIFJS-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP O=C(CC[N@H+]1CC[C@H](F)C1)Nc1ccc(C[NH+]2CCCCCC2)cc1 ZINC001292394877 1382188402 /nfs/dbraw/zinc/18/84/02/1382188402.db2.gz LVRXJQQNMMRDHQ-SFHVURJKSA-N 2 0 347.478 3.435 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C/C1CCCCCC1 ZINC001292583117 1382204516 /nfs/dbraw/zinc/20/45/16/1382204516.db2.gz YIZUSAPWBXJDGR-AIGDTVQASA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)C ZINC001328736246 1388834076 /nfs/dbraw/zinc/83/40/76/1388834076.db2.gz HYGLUFKGWZHDNB-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH+](C)CCCC(C)(C)C)C1 ZINC001328763403 1388847209 /nfs/dbraw/zinc/84/72/09/1388847209.db2.gz CQSNTPMQFHTCGU-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808638 1388874890 /nfs/dbraw/zinc/87/48/90/1388874890.db2.gz PTZVCEKXXHGJFL-XSXCZSQGSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@@H](CC[NH+](C)C)C(=O)N(C)C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001302852463 1383770847 /nfs/dbraw/zinc/77/08/47/1383770847.db2.gz NIWRKOCMTDKWIQ-AZUAARDMSA-N 2 0 345.531 3.087 10 0 EGAERP CC[C@H](C(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1)[NH+](C)C ZINC001328877388 1388893397 /nfs/dbraw/zinc/89/33/97/1388893397.db2.gz ZMKORCIVZASCCP-DAWZGUTISA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cc(C)cc(C)c2)[C@@H]1C ZINC001316797495 1384588121 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HVPUNIHLRYVHHY-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001316933526 1384704473 /nfs/dbraw/zinc/70/44/73/1384704473.db2.gz HSQWBQAJPNRZKC-YJJPMGAVSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001316934753 1384705870 /nfs/dbraw/zinc/70/58/70/1384705870.db2.gz USGJEPAKYMTXIO-GHOSXJJBSA-N 2 0 335.536 3.140 10 0 EGAERP CN(C(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001316934826 1384706377 /nfs/dbraw/zinc/70/63/77/1384706377.db2.gz XFEWUISINGDVEN-UHFFFAOYSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001316942975 1384714052 /nfs/dbraw/zinc/71/40/52/1384714052.db2.gz IAJUIGWUDWHIOL-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001316955719 1384726863 /nfs/dbraw/zinc/72/68/63/1384726863.db2.gz VLHQDWYFAHWTRP-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP 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O=C(CCCn1ccnc1)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001698704600 1406345821 /nfs/dbraw/zinc/34/58/21/1406345821.db2.gz USIDJVZJQHMIGH-UHFFFAOYSA-N 2 0 346.519 3.072 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1F ZINC001322725772 1387231135 /nfs/dbraw/zinc/23/11/35/1387231135.db2.gz DZNDYJUVVWJRQO-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCC2)CC1)C1CCC1 ZINC001698710042 1406351601 /nfs/dbraw/zinc/35/16/01/1406351601.db2.gz RLFYBIQWFXHGPI-WGSAOQKQSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CCCC1CCC1 ZINC001329462532 1389118793 /nfs/dbraw/zinc/11/87/93/1389118793.db2.gz YOHFQTAYYFMYJA-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[N@H+](C)CC1=CCCCC1 ZINC001329593283 1389173797 /nfs/dbraw/zinc/17/37/97/1389173797.db2.gz ZMQNFGUJCFCELP-KRWDZBQOSA-N 2 0 347.547 3.045 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001329888260 1389247101 /nfs/dbraw/zinc/24/71/01/1389247101.db2.gz UQEKJEIORQOFMB-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CCCC[C@@H](C[NH2+]C/C=C/Cl)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001329888321 1389247210 /nfs/dbraw/zinc/24/72/10/1389247210.db2.gz VRNFFMWBEADQMC-BOSPYUDASA-N 2 0 348.878 3.273 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001330073090 1389299867 /nfs/dbraw/zinc/29/98/67/1389299867.db2.gz ZQWBTTFDHWEPEX-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001330644026 1389480937 /nfs/dbraw/zinc/48/09/37/1389480937.db2.gz NTPBPNGQJNMVOO-BJLQDIEVSA-N 2 0 349.563 3.314 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@H]2CCOC2)cc1 ZINC001330672694 1389492085 /nfs/dbraw/zinc/49/20/85/1389492085.db2.gz SQSMRFNJENALMV-CUUWFGFTSA-N 2 0 340.511 3.255 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001331054552 1389613129 /nfs/dbraw/zinc/61/31/29/1389613129.db2.gz TWCQIVLRXVYPPY-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(F)cc1 ZINC001331575262 1389808091 /nfs/dbraw/zinc/80/80/91/1389808091.db2.gz FBMVPLLMGDLHDL-SJORKVTESA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001698753774 1406405086 /nfs/dbraw/zinc/40/50/86/1406405086.db2.gz SNIISGIDJWZPEX-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001332033115 1389953274 /nfs/dbraw/zinc/95/32/74/1389953274.db2.gz SZVQLRAXLKIRRJ-LJJUJYJISA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001332108678 1389986696 /nfs/dbraw/zinc/98/66/96/1389986696.db2.gz COTAKUHYMXVHMT-YDWSFWPNSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001332109706 1389987498 /nfs/dbraw/zinc/98/74/98/1389987498.db2.gz GYQZYUYFBSBQIW-HFSMHLIXSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001332117441 1389994400 /nfs/dbraw/zinc/99/44/00/1389994400.db2.gz MDESPCDINABIQI-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001332117440 1389994475 /nfs/dbraw/zinc/99/44/75/1389994475.db2.gz MDESPCDINABIQI-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@@H]1C ZINC001332183994 1390026985 /nfs/dbraw/zinc/02/69/85/1390026985.db2.gz GOSVYPHFEQPCJW-FUHWJXTLSA-N 2 0 337.552 3.409 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CCCCCC1 ZINC001332202353 1390039343 /nfs/dbraw/zinc/03/93/43/1390039343.db2.gz YHXAGWPNWSARTQ-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2=CCCCC2)[C@@H]1C ZINC001332219105 1390050544 /nfs/dbraw/zinc/05/05/44/1390050544.db2.gz MRWWUCHKNUVOLQ-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001332309536 1390083522 /nfs/dbraw/zinc/08/35/22/1390083522.db2.gz KIUHJUJCRLCDGQ-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001332404871 1390108059 /nfs/dbraw/zinc/10/80/59/1390108059.db2.gz MXRVTPCAGTWEEY-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001332998225 1390233473 /nfs/dbraw/zinc/23/34/73/1390233473.db2.gz OLMUQOFQLDVYRA-DKFQHHCZSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CC(N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001333094332 1390248329 /nfs/dbraw/zinc/24/83/29/1390248329.db2.gz JEIYHPCSOMWBQP-IPJUCJBFSA-N 2 0 345.531 3.029 10 0 EGAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001333108987 1390250569 /nfs/dbraw/zinc/25/05/69/1390250569.db2.gz WPNOWINWOFRADS-LYBXBRPPSA-N 2 0 347.547 3.329 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001333394963 1390295415 /nfs/dbraw/zinc/29/54/15/1390295415.db2.gz LQKIJDFETBLUMU-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001333433322 1390303529 /nfs/dbraw/zinc/30/35/29/1390303529.db2.gz MODNQEMDJZOYEZ-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1ccc(OC(F)F)cc1OC(F)F ZINC001333691565 1390375486 /nfs/dbraw/zinc/37/54/86/1390375486.db2.gz IRQPFJARZMJROI-GFCCVEGCSA-N 2 0 338.345 3.352 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001698797179 1406467234 /nfs/dbraw/zinc/46/72/34/1406467234.db2.gz FUZZKHLCMUBHOA-QZTJIDSGSA-N 2 0 335.536 3.212 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001698798486 1406470248 /nfs/dbraw/zinc/47/02/48/1406470248.db2.gz XTSZQUPCBKAZPF-FKDQEEMOSA-N 2 0 347.547 3.378 10 0 EGAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@@H]1CCCN1Cc1ccc(F)cc1 ZINC001348852899 1391275318 /nfs/dbraw/zinc/27/53/18/1391275318.db2.gz FUYWYLBHUGODKN-APWZRJJASA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001488871771 1391736920 /nfs/dbraw/zinc/73/69/20/1391736920.db2.gz FJLPQWXRLJEKRC-GUDVDZBRSA-N 2 0 337.552 3.027 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001479331187 1392216888 /nfs/dbraw/zinc/21/68/88/1392216888.db2.gz ZAEIVSKXFMPTKZ-BGYRXZFFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001479483006 1392253984 /nfs/dbraw/zinc/25/39/84/1392253984.db2.gz RRLZDNLIVNKKOJ-AZUAARDMSA-N 2 0 343.515 3.203 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C[C@@H]2C1 ZINC001479672734 1392312362 /nfs/dbraw/zinc/31/23/62/1392312362.db2.gz NKKRFQZNJBKLRB-CNUAAPAUSA-N 2 0 349.563 3.099 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001479737883 1392350327 /nfs/dbraw/zinc/35/03/27/1392350327.db2.gz PGBXHQIGTVRVFV-QUCCMNQESA-N 2 0 345.531 3.321 10 0 EGAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)CCC1CCCCC1 ZINC001479788295 1392389937 /nfs/dbraw/zinc/38/99/37/1392389937.db2.gz OZGZTGTZOPOSQN-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479830748 1392417352 /nfs/dbraw/zinc/41/73/52/1392417352.db2.gz RDIZDUKPCDODFW-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1ccccc1F ZINC001479845331 1392427616 /nfs/dbraw/zinc/42/76/16/1392427616.db2.gz RESUKWOLASBKBN-INIZCTEOSA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)[C@@H](C)c1ccccc1 ZINC001479848435 1392429514 /nfs/dbraw/zinc/42/95/14/1392429514.db2.gz UVFWCGKCUJZEEC-SFHVURJKSA-N 2 0 343.515 3.204 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001479910071 1392477888 /nfs/dbraw/zinc/47/78/88/1392477888.db2.gz FCUVDYBQHRVYQM-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP CCCC[NH+]1CCC(N(CCC)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001479996607 1392528846 /nfs/dbraw/zinc/52/88/46/1392528846.db2.gz OJBXEKMAOUWYQK-ROUUACIJSA-N 2 0 337.552 3.362 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001480042166 1392547197 /nfs/dbraw/zinc/54/71/97/1392547197.db2.gz DAYHULUUEWOQRE-RYQLBKOJSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480042932 1392548077 /nfs/dbraw/zinc/54/80/77/1392548077.db2.gz LLEFBMLHZORGGI-WOJBJXKFSA-N 2 0 347.547 3.234 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001698862153 1406573332 /nfs/dbraw/zinc/57/33/32/1406573332.db2.gz VFUCJKRPLDQRTH-XBMUEBEBSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001480080123 1392570007 /nfs/dbraw/zinc/57/00/07/1392570007.db2.gz TYLNOUNBTLAUNZ-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H](C[NH+](C)CCC3CC3)C2)C1 ZINC001480082257 1392571859 /nfs/dbraw/zinc/57/18/59/1392571859.db2.gz PJHNEMHYYFRGCL-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](CC)[NH+](CC)CC ZINC001480099732 1392584720 /nfs/dbraw/zinc/58/47/20/1392584720.db2.gz IZDYCXXNFSFFKW-CEXWTWQISA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001480266461 1392651373 /nfs/dbraw/zinc/65/13/73/1392651373.db2.gz STYRCSPWLYFXIX-WEPWYQGCSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001480267247 1392651397 /nfs/dbraw/zinc/65/13/97/1392651397.db2.gz JKRZHZXEKQXVLY-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480293527 1392663116 /nfs/dbraw/zinc/66/31/16/1392663116.db2.gz QQAAKUJWYDCHMJ-FHWLQOOXSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480318379 1392678467 /nfs/dbraw/zinc/67/84/67/1392678467.db2.gz BDZMIKUOBAPDJE-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480332982 1392691714 /nfs/dbraw/zinc/69/17/14/1392691714.db2.gz VRPCKLNKGXZKRM-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](F)C[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001480411204 1392746969 /nfs/dbraw/zinc/74/69/69/1392746969.db2.gz IESBTWJZCOZRDJ-VIQWUECVSA-N 2 0 349.494 3.127 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc(Cl)c(Cl)c1 ZINC001480530381 1392781087 /nfs/dbraw/zinc/78/10/87/1392781087.db2.gz FVUIQJABTINACS-VXGBXAGGSA-N 2 0 346.302 3.100 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595516 1392810748 /nfs/dbraw/zinc/81/07/48/1392810748.db2.gz BTXAPQKCLDIBQE-IAGOWNOFSA-N 2 0 347.547 3.480 10 0 EGAERP O=C(N1CC[C@H](C[NH2+]CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001480654191 1392838403 /nfs/dbraw/zinc/83/84/03/1392838403.db2.gz QZCJPOHUNOGCFD-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001480784051 1392931236 /nfs/dbraw/zinc/93/12/36/1392931236.db2.gz QJOYZGKTZICPDR-ZPHJMFTNSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480832290 1392973283 /nfs/dbraw/zinc/97/32/83/1392973283.db2.gz VSDPQHIXWLTITO-IBGZPJMESA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC[NH+]1CCCCC1 ZINC001480833528 1392974688 /nfs/dbraw/zinc/97/46/88/1392974688.db2.gz UQRRLIPWVQCSFR-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001698878706 1406605477 /nfs/dbraw/zinc/60/54/77/1406605477.db2.gz CDGJZZLFAZTPRR-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481095840 1393118753 /nfs/dbraw/zinc/11/87/53/1393118753.db2.gz NQRTWDGJJYJZGA-QQGAAHRYSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)C ZINC001481147260 1393133425 /nfs/dbraw/zinc/13/34/25/1393133425.db2.gz AYPXOCOCMIJFCE-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC2CCCC2)C2CCCCC2)C1 ZINC001698884406 1406616954 /nfs/dbraw/zinc/61/69/54/1406616954.db2.gz LTLQPCOHHHLOGM-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001698934491 1406673183 /nfs/dbraw/zinc/67/31/83/1406673183.db2.gz XYCDFJBSYUXTIN-IEBWSBKVSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939211 1406678870 /nfs/dbraw/zinc/67/88/70/1406678870.db2.gz OWKPYUXQAZFNRJ-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001481498581 1394344026 /nfs/dbraw/zinc/34/40/26/1394344026.db2.gz QKKKGOCFHWGMCT-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@H](C[NH+](C)CC(C)C)C1)c1ccccc1 ZINC001481505087 1394351211 /nfs/dbraw/zinc/35/12/11/1394351211.db2.gz QEWQCNBLJAHCFH-QUCCMNQESA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+](CC)CC ZINC001490842484 1394359695 /nfs/dbraw/zinc/35/96/95/1394359695.db2.gz RHCPLZJBIWZKHD-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001490981739 1394391679 /nfs/dbraw/zinc/39/16/79/1394391679.db2.gz JRQSCUYEOYBLBV-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1 ZINC001491079804 1394421175 /nfs/dbraw/zinc/42/11/75/1394421175.db2.gz GNXLOFUYFQLUGT-KDURUIRLSA-N 2 0 345.531 3.061 10 0 EGAERP CC(C)[C@H](C(=O)NCC1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001481669591 1394439194 /nfs/dbraw/zinc/43/91/94/1394439194.db2.gz RGDHRIGQDKWBRX-HXUWFJFHSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001491132358 1394446709 /nfs/dbraw/zinc/44/67/09/1394446709.db2.gz BVVAUGOEKTUEAR-RTLBZRNLSA-N 2 0 335.536 3.047 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001491152854 1394452382 /nfs/dbraw/zinc/45/23/82/1394452382.db2.gz SORYGEMHSPLCEH-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153590 1394452730 /nfs/dbraw/zinc/45/27/30/1394452730.db2.gz MHXFNLQBKGIFGW-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481743283 1394489262 /nfs/dbraw/zinc/48/92/62/1394489262.db2.gz CQKGZBXNDHKBRP-OXUXSNCKSA-N 2 0 335.536 3.138 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746223 1394491877 /nfs/dbraw/zinc/49/18/77/1394491877.db2.gz CFJFTFYBEWVKDQ-VQIMIIECSA-N 2 0 349.494 3.151 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001481782229 1394526808 /nfs/dbraw/zinc/52/68/08/1394526808.db2.gz ORVGGRGBOOFHNV-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CC[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccsc1 ZINC001481880197 1394574839 /nfs/dbraw/zinc/57/48/39/1394574839.db2.gz CLUIUGAHACLAIZ-SFHVURJKSA-N 2 0 345.512 3.108 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001481973898 1394636349 /nfs/dbraw/zinc/63/63/49/1394636349.db2.gz HANSTXYTGSTXRS-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC=C(C)C)C1 ZINC001481976594 1394638546 /nfs/dbraw/zinc/63/85/46/1394638546.db2.gz HWVHMSVFDKYFJY-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481977775 1394639369 /nfs/dbraw/zinc/63/93/69/1394639369.db2.gz BNRZMNNTHDFUTC-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001481986808 1394648999 /nfs/dbraw/zinc/64/89/99/1394648999.db2.gz WMRXOWWKCRJJDX-FBQMEGEOSA-N 2 0 349.563 3.293 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC(CC[NH2+]CC3CC(C)(C)C3)CC2)CCC1 ZINC001481999825 1394659229 /nfs/dbraw/zinc/65/92/29/1394659229.db2.gz WTLHBFSNVXHAOG-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001482021093 1394677830 /nfs/dbraw/zinc/67/78/30/1394677830.db2.gz OOJXIWQTISGPRL-IYARVYRRSA-N 2 0 339.568 3.418 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC(C)C)CC2)C1 ZINC001482021084 1394678136 /nfs/dbraw/zinc/67/81/36/1394678136.db2.gz GWUDWUXVWWXFKI-GUDVDZBRSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001482050279 1394713605 /nfs/dbraw/zinc/71/36/05/1394713605.db2.gz VDTXZTWASGPFNL-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960350 1406713420 /nfs/dbraw/zinc/71/34/20/1406713420.db2.gz HGQIKLAPRBQHBD-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962372 1406716790 /nfs/dbraw/zinc/71/67/90/1406716790.db2.gz PRUYPBQNAHFLHH-MSOLQXFVSA-N 2 0 337.552 3.026 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001482174278 1394787520 /nfs/dbraw/zinc/78/75/20/1394787520.db2.gz XPHSWNDQGNSLCB-GJZGRUSLSA-N 2 0 339.911 3.083 10 0 EGAERP CC[C@H](C(=O)NCC1([NH2+]CCC2=CCCCC2)CCCC1)[NH+](C)C ZINC001482222415 1394816389 /nfs/dbraw/zinc/81/63/89/1394816389.db2.gz KWBKQHWWVVJKMZ-GOSISDBHSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)CC2CC[NH+](C)CC2)CCCC1 ZINC001482231467 1394826018 /nfs/dbraw/zinc/82/60/18/1394826018.db2.gz SDIHVOPWGSLDTQ-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001482370032 1394931872 /nfs/dbraw/zinc/93/18/72/1394931872.db2.gz RAOHHELWJOYALF-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001482429681 1394989853 /nfs/dbraw/zinc/98/98/53/1394989853.db2.gz SSRJIVYVYVNLJO-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001482452341 1395010932 /nfs/dbraw/zinc/01/09/32/1395010932.db2.gz ILOZRJRBAPSKJL-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]([NH2+]Cc1c(C)cc(C)cc1C)C(C)C)[NH+](C)C ZINC001482538706 1395078111 /nfs/dbraw/zinc/07/81/11/1395078111.db2.gz VFBCMXKOKDWNBT-WOJBJXKFSA-N 2 0 347.547 3.182 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2ccc(F)cc2)CCN1C(=O)CCCC[NH+](C)C ZINC001483917466 1395144626 /nfs/dbraw/zinc/14/46/26/1395144626.db2.gz WGAAHZZCRYUROQ-QFBILLFUSA-N 2 0 349.494 3.027 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001484006843 1395181728 /nfs/dbraw/zinc/18/17/28/1395181728.db2.gz NSDILNPYHVNRAR-HKVCONOFSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)[NH+](C)C ZINC001484011859 1395185462 /nfs/dbraw/zinc/18/54/62/1395185462.db2.gz DNXBWOBMFJZQSC-RBUKOAKNSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001484021828 1395194088 /nfs/dbraw/zinc/19/40/88/1395194088.db2.gz GILXSYDQHZCQAB-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057939 1395220571 /nfs/dbraw/zinc/22/05/71/1395220571.db2.gz MWURTMWGMTUIGB-PZJWPPBQSA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072552 1395234334 /nfs/dbraw/zinc/23/43/34/1395234334.db2.gz WZKYJQMLQCQXPO-SGSXCFNPSA-N 2 0 335.536 3.189 10 0 EGAERP CC1CC(C[NH+]2CCC(C)(CNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001484138658 1395275831 /nfs/dbraw/zinc/27/58/31/1395275831.db2.gz IIIMXNLJHJZOBI-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CN(C(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001484408329 1395375672 /nfs/dbraw/zinc/37/56/72/1395375672.db2.gz HWCMKLURNNDNKT-HDICACEKSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H](C)c1cccc(F)c1 ZINC001484768839 1395525423 /nfs/dbraw/zinc/52/54/23/1395525423.db2.gz IDIWZMVWEMKXQS-MRXNPFEDSA-N 2 0 337.483 3.007 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484810958 1395546342 /nfs/dbraw/zinc/54/63/42/1395546342.db2.gz RBKZRXXHNRXJCY-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001485239348 1395732169 /nfs/dbraw/zinc/73/21/69/1395732169.db2.gz KOPVBGWVRUISDD-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001485262732 1395748301 /nfs/dbraw/zinc/74/83/01/1395748301.db2.gz RENBOULSWOEPNT-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001485323880 1395798593 /nfs/dbraw/zinc/79/85/93/1395798593.db2.gz WBGCQRDTONJUAA-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001485342021 1395813489 /nfs/dbraw/zinc/81/34/89/1395813489.db2.gz NLGVGLJLWCCHNK-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC=C(C)C)[NH+](CC)CC ZINC001485482106 1395965564 /nfs/dbraw/zinc/96/55/64/1395965564.db2.gz IQSJZWXDGKUCPA-RTBURBONSA-N 2 0 337.552 3.434 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001485703211 1396109577 /nfs/dbraw/zinc/10/95/77/1396109577.db2.gz SULYSCGHGFBFLA-CGBFIWBNSA-N 2 0 345.531 3.127 10 0 EGAERP C[C@@H](CCC[NH2+]Cc1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485740653 1396127770 /nfs/dbraw/zinc/12/77/70/1396127770.db2.gz RHAKDZWBVVFPEO-OALUTQOASA-N 2 0 345.531 3.326 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001485944990 1396171874 /nfs/dbraw/zinc/17/18/74/1396171874.db2.gz SDQXYNVJYWNSLM-ZWKOTPCHSA-N 2 0 345.531 3.088 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC1CC3(CCC3)C1)CC2)[NH+](C)C ZINC001486146346 1396179906 /nfs/dbraw/zinc/17/99/06/1396179906.db2.gz MYGFFJADCAWLSS-UEXGIBASSA-N 2 0 347.547 3.020 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001486146774 1396179925 /nfs/dbraw/zinc/17/99/25/1396179925.db2.gz LFLHVGSHIAQGHN-PZJWPPBQSA-N 2 0 347.547 3.164 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486238208 1396186732 /nfs/dbraw/zinc/18/67/32/1396186732.db2.gz NGSPQTHSVRWSBB-OZSKJFCKSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1[NH2+]CCCC1CCCC1 ZINC001502747454 1396226440 /nfs/dbraw/zinc/22/64/40/1396226440.db2.gz CSZMMIPJLAZYPU-ICSRJNTNSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C/c1ccccc1 ZINC001503290821 1396250165 /nfs/dbraw/zinc/25/01/65/1396250165.db2.gz QGQANUZOKUCTGY-HPNUQQFFSA-N 2 0 343.515 3.059 10 0 EGAERP CCCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001505394516 1396282492 /nfs/dbraw/zinc/28/24/92/1396282492.db2.gz GGVWOOIMLUZBHL-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1cc(C)ccc1C ZINC001492973297 1396330579 /nfs/dbraw/zinc/33/05/79/1396330579.db2.gz XWIJBOVHOYFGEZ-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[NH+](CC)CC2CC3(CCC3)C2)C1 ZINC001493006890 1396331558 /nfs/dbraw/zinc/33/15/58/1396331558.db2.gz WETMCUSLIZSMBV-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)c1ccc([C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[NH2+]CCCF)cc1 ZINC001493878490 1396344038 /nfs/dbraw/zinc/34/40/38/1396344038.db2.gz JTOIBSWVVNLNMQ-MOPGFXCFSA-N 2 0 349.494 3.011 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001494077624 1396353868 /nfs/dbraw/zinc/35/38/68/1396353868.db2.gz YYNSFQKCLMQRJU-CFQKCQFKSA-N 2 0 347.547 3.047 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001495496259 1396538653 /nfs/dbraw/zinc/53/86/53/1396538653.db2.gz NUDWMYMJAFWTNJ-GOSISDBHSA-N 2 0 345.531 3.457 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001495591650 1396544796 /nfs/dbraw/zinc/54/47/96/1396544796.db2.gz QBAPNCREQPWKTD-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001495814221 1396561603 /nfs/dbraw/zinc/56/16/03/1396561603.db2.gz OZRDTYCEINQIOZ-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)CC1 ZINC001495938745 1396573119 /nfs/dbraw/zinc/57/31/19/1396573119.db2.gz KEVIPCOQBIUUFC-UHFFFAOYSA-N 2 0 347.547 3.237 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)C[N@@H+](C)C(C)C)CCCC1 ZINC001495963718 1396579333 /nfs/dbraw/zinc/57/93/33/1396579333.db2.gz PECWEIJUNIZSDA-GOSISDBHSA-N 2 0 345.531 3.415 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001689096870 1396903249 /nfs/dbraw/zinc/90/32/49/1396903249.db2.gz IBRVNFDYTCOBSW-ZVFVRTEYSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC001498289446 1396959256 /nfs/dbraw/zinc/95/92/56/1396959256.db2.gz RQAGTJJREDMWMW-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001498360508 1396975143 /nfs/dbraw/zinc/97/51/43/1396975143.db2.gz VQSFPTUDLNDRNP-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001689271875 1397006658 /nfs/dbraw/zinc/00/66/58/1397006658.db2.gz SJBGJHPKTYBHSE-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1C ZINC001689298494 1397024732 /nfs/dbraw/zinc/02/47/32/1397024732.db2.gz FIFDOPFEIGIFMF-RTUSNTFBSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001689363258 1403700712 /nfs/dbraw/zinc/70/07/12/1403700712.db2.gz QBZRVRBLXZLIIL-DVBCCOPCSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001689909189 1404201679 /nfs/dbraw/zinc/20/16/79/1404201679.db2.gz LXTUGBOWKFKTTC-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CCC(C)(C)C ZINC001689939533 1404217947 /nfs/dbraw/zinc/21/79/47/1404217947.db2.gz VMWOHUBXYZGNRI-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001690023262 1404261866 /nfs/dbraw/zinc/26/18/66/1404261866.db2.gz KAXFFTDYQWLVIZ-MITRTKIPSA-N 2 0 349.563 3.386 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001690023483 1404262572 /nfs/dbraw/zinc/26/25/72/1404262572.db2.gz UTFLBNKIXKFFQL-UHFFFAOYSA-N 2 0 347.547 3.284 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001690193280 1404398982 /nfs/dbraw/zinc/39/89/82/1404398982.db2.gz XPPFZBSRRFBAHZ-QOJNPXKOSA-N 2 0 349.563 3.243 10 0 EGAERP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001690291836 1404452487 /nfs/dbraw/zinc/45/24/87/1404452487.db2.gz BXGUTURSKFNUJN-MUGJNUQGSA-N 2 0 347.547 3.211 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001690318038 1404474485 /nfs/dbraw/zinc/47/44/85/1404474485.db2.gz OAEAJEOAXQXHCP-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001690414394 1404546524 /nfs/dbraw/zinc/54/65/24/1404546524.db2.gz XKDWBBOMISZWJB-PXPVJAHISA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@@H]2CCCC[NH+]2CCCC(C)(C)C)CC[N@@H+]1C ZINC001690446022 1404569616 /nfs/dbraw/zinc/56/96/16/1404569616.db2.gz ITBXQIIMCAGOJR-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690778326 1404727506 /nfs/dbraw/zinc/72/75/06/1404727506.db2.gz XYYCORHULHDURZ-MSOLQXFVSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001690814105 1404748975 /nfs/dbraw/zinc/74/89/75/1404748975.db2.gz AOBMVKKFPXAFAT-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC2CCCCCC2)C1 ZINC001690826385 1404764320 /nfs/dbraw/zinc/76/43/20/1404764320.db2.gz FPHYGGJJHDBDAQ-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001690842922 1404772411 /nfs/dbraw/zinc/77/24/11/1404772411.db2.gz HOYHHNWPDJVDAT-MSOLQXFVSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[C@H]2CCC[NH+]2CC2CCCCCC2)C1 ZINC001690917712 1404827690 /nfs/dbraw/zinc/82/76/90/1404827690.db2.gz PJLPIYRKHJYGAN-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CCC1CCCCCC1 ZINC001690968149 1404874896 /nfs/dbraw/zinc/87/48/96/1404874896.db2.gz OLMWQZJZDSMBSE-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001690982375 1404895315 /nfs/dbraw/zinc/89/53/15/1404895315.db2.gz ZFLUTYVJDCNNCJ-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CCC(C)(C)CC1 ZINC001690983677 1404896443 /nfs/dbraw/zinc/89/64/43/1404896443.db2.gz UBKPSOVHJHVMOB-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+](CC)CC ZINC001691097446 1405034632 /nfs/dbraw/zinc/03/46/32/1405034632.db2.gz LUJRSJBNKUJAJK-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105367 1405044424 /nfs/dbraw/zinc/04/44/24/1405044424.db2.gz AULKZXHVYASLRS-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCC[N@@H+]1CCC1CCCCCC1 ZINC001691108500 1405049165 /nfs/dbraw/zinc/04/91/65/1405049165.db2.gz KJJWKECGRQPOTP-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691146781 1405080555 /nfs/dbraw/zinc/08/05/55/1405080555.db2.gz DHGNGWMQUPOPLS-NCXUSEDFSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001691319254 1405203986 /nfs/dbraw/zinc/20/39/86/1405203986.db2.gz BRHKTUVAERHQHZ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CN(C[C@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691391652 1405228575 /nfs/dbraw/zinc/22/85/75/1405228575.db2.gz ARLBIJIUKHLUDF-LJQANCHMSA-N 2 0 347.547 3.284 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CC[NH+](C)CCC ZINC001691427947 1405260848 /nfs/dbraw/zinc/26/08/48/1405260848.db2.gz HAVTZHNULMSZGY-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001691623381 1405362528 /nfs/dbraw/zinc/36/25/28/1405362528.db2.gz UYMVJBSSDSWGEP-QGZVFWFLSA-N 2 0 333.520 3.259 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001691636629 1405372410 /nfs/dbraw/zinc/37/24/10/1405372410.db2.gz JTCOEJYLQYPQFU-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001691636682 1405372551 /nfs/dbraw/zinc/37/25/51/1405372551.db2.gz KVJOHYFCQDYFMZ-AJEASFTHSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001691678356 1405412585 /nfs/dbraw/zinc/41/25/85/1405412585.db2.gz LUHOHCTUOCEJFM-GOSISDBHSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001691689921 1405424733 /nfs/dbraw/zinc/42/47/33/1405424733.db2.gz NFKKZPLDHNUOAH-MOPGFXCFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CCC1 ZINC001691754265 1405472982 /nfs/dbraw/zinc/47/29/82/1405472982.db2.gz ODHUKIBATADKPA-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691813118 1405525900 /nfs/dbraw/zinc/52/59/00/1405525900.db2.gz HFTMADSOFLFTCV-PXEQJPNCSA-N 2 0 349.563 3.434 10 0 EGAERP Cn1ccnc1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691899581 1405622791 /nfs/dbraw/zinc/62/27/91/1405622791.db2.gz DTXDRHCLFQTEER-DLBZAZTESA-N 2 0 348.535 3.054 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001691913544 1405638959 /nfs/dbraw/zinc/63/89/59/1405638959.db2.gz ROCQHGUWXKXEPJ-IPELMVKDSA-N 2 0 349.494 3.103 10 0 EGAERP CCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)CC1 ZINC001691959949 1405676878 /nfs/dbraw/zinc/67/68/78/1405676878.db2.gz HLLAWCROSJWNIB-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001691969001 1405684728 /nfs/dbraw/zinc/68/47/28/1405684728.db2.gz SNJHISFIAOPQPW-XOUUWWQPSA-N 2 0 349.563 3.243 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)[C@H]1CC ZINC001691975858 1405691588 /nfs/dbraw/zinc/69/15/88/1405691588.db2.gz GZSZAOCDSXUJCR-INDMIFKZSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H](C[N@H+](C)CCC3CCCCC3)C2)CC1 ZINC001691976997 1405692333 /nfs/dbraw/zinc/69/23/33/1405692333.db2.gz XVDDINTVMHOKOQ-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[N@@H+]1CCC[C@H](N(Cc2ccccc2)C(=O)CC[NH+](C)C)C1 ZINC001691999587 1405715266 /nfs/dbraw/zinc/71/52/66/1405715266.db2.gz UDVUKFUFUQRDLE-FQEVSTJZSA-N 2 0 345.531 3.231 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001692022766 1405740936 /nfs/dbraw/zinc/74/09/36/1405740936.db2.gz GKNDOHAVIRHFPS-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001692121783 1405784027 /nfs/dbraw/zinc/78/40/27/1405784027.db2.gz YGNRZZNMBZYICU-GOSISDBHSA-N 2 0 335.536 3.166 10 0 EGAERP CC(C)C[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001692125627 1405785848 /nfs/dbraw/zinc/78/58/48/1405785848.db2.gz KMZYSGZFPWQPLO-SBHAEUEKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCCC1 ZINC001692188753 1405829764 /nfs/dbraw/zinc/82/97/64/1405829764.db2.gz KUFZOTUHZHNRTG-HSALFYBXSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001692332666 1405951866 /nfs/dbraw/zinc/95/18/66/1405951866.db2.gz BNZDJZSWJSYEOT-HXUWFJFHSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692333221 1405952929 /nfs/dbraw/zinc/95/29/29/1405952929.db2.gz LRPFTALEGVVBIS-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)c2ccccc2CC[NH+](C)C)[C@H]1C ZINC001692378936 1405986286 /nfs/dbraw/zinc/98/62/86/1405986286.db2.gz MKZUQTMDBJFBAK-XLIONFOSSA-N 2 0 345.531 3.174 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001692394368 1405995887 /nfs/dbraw/zinc/99/58/87/1405995887.db2.gz BLJIJRXIHNXDBN-QYZOEREBSA-N 2 0 337.552 3.410 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732024393 1428242597 /nfs/dbraw/zinc/24/25/97/1428242597.db2.gz KTGDUXAQLAUINY-RTBURBONSA-N 2 0 331.504 3.106 10 0 EGAERP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001732040441 1428268496 /nfs/dbraw/zinc/26/84/96/1428268496.db2.gz YUHIXKIIDABHBV-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001732084771 1428343651 /nfs/dbraw/zinc/34/36/51/1428343651.db2.gz UWJPLQFEIOFIMF-SJORKVTESA-N 2 0 349.494 3.007 10 0 EGAERP CC(C)CCC[N@H+](C)CC1CCN(C(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001732086102 1428346447 /nfs/dbraw/zinc/34/64/47/1428346447.db2.gz GBHSIIUXZXTYED-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201901 1428452567 /nfs/dbraw/zinc/45/25/67/1428452567.db2.gz SCUJFXPVBICKMW-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001732230892 1428477821 /nfs/dbraw/zinc/47/78/21/1428477821.db2.gz MGFLUYLSNZBFMR-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H](CC[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001732272103 1428508387 /nfs/dbraw/zinc/50/83/87/1428508387.db2.gz NJJXJVXYEYJFCK-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCC2)CC1 ZINC001732311318 1428524384 /nfs/dbraw/zinc/52/43/84/1428524384.db2.gz ZUKACJZIHVWNOJ-UFYCRDLUSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001732330312 1428536444 /nfs/dbraw/zinc/53/64/44/1428536444.db2.gz YQZHUHAWUUZUDU-KPDZFXRVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001732400284 1428566351 /nfs/dbraw/zinc/56/63/51/1428566351.db2.gz YURGHEHDECJYRI-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001732474202 1428601102 /nfs/dbraw/zinc/60/11/02/1428601102.db2.gz YQQHTDPJBYFIBD-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@H](C)C1 ZINC001732497623 1428618896 /nfs/dbraw/zinc/61/88/96/1428618896.db2.gz CGQWTEBNZLAJBP-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001732517735 1428636339 /nfs/dbraw/zinc/63/63/39/1428636339.db2.gz MTFGMKBPOZPUSD-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699114027 1412516525 /nfs/dbraw/zinc/51/65/25/1412516525.db2.gz YSTJWMAYHRJPSO-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H](CC[NH2+]Cc1cccc(F)c1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699140587 1412531338 /nfs/dbraw/zinc/53/13/38/1412531338.db2.gz LUGBMXDIKDOFMT-IRXDYDNUSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699162862 1412545688 /nfs/dbraw/zinc/54/56/88/1412545688.db2.gz ZUUJPELSAGXHHN-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C\C[NH2+]CC2CCC(C)CC2)C1 ZINC001699302080 1412625930 /nfs/dbraw/zinc/62/59/30/1412625930.db2.gz LGASPOCFEHNSPH-OYFNKTHYSA-N 2 0 349.563 3.197 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001699345923 1412654475 /nfs/dbraw/zinc/65/44/75/1412654475.db2.gz RKMHTIJEWUUTFE-QULHZPMSSA-N 2 0 333.520 3.013 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699425738 1412741323 /nfs/dbraw/zinc/74/13/23/1412741323.db2.gz UDBBERWLIYMLFI-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001699451060 1412790865 /nfs/dbraw/zinc/79/08/65/1412790865.db2.gz OGLSONFBJWXVTA-INIZCTEOSA-N 2 0 325.541 3.122 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001699531011 1412908599 /nfs/dbraw/zinc/90/85/99/1412908599.db2.gz SQBTTZSWTJKAMM-PKOBYXMFSA-N 2 0 333.520 3.080 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001699623141 1412987892 /nfs/dbraw/zinc/98/78/92/1412987892.db2.gz YPIYMUPZHZNHEH-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCC2([NH2+]CC3CC(C)(C)C3)CC2)c1 ZINC001699676860 1413071001 /nfs/dbraw/zinc/07/10/01/1413071001.db2.gz WZIQZNVETVAXTL-UHFFFAOYSA-N 2 0 343.515 3.036 10 0 EGAERP C[NH+](C)CCC(=O)NCC[N@H+](Cc1ccccc1)C1CCCCCC1 ZINC001699683933 1413079412 /nfs/dbraw/zinc/07/94/12/1413079412.db2.gz UVXDDFHBAJWPOY-UHFFFAOYSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001699687877 1413088337 /nfs/dbraw/zinc/08/83/37/1413088337.db2.gz KNXBXDOPRMALRN-PMACEKPBSA-N 2 0 347.547 3.116 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699743640 1413154517 /nfs/dbraw/zinc/15/45/17/1413154517.db2.gz PNQUWSHJFHZTPD-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699744469 1413155382 /nfs/dbraw/zinc/15/53/82/1413155382.db2.gz VROZEGAUWINOAI-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001699749365 1413157733 /nfs/dbraw/zinc/15/77/33/1413157733.db2.gz HZXVPOLODITLSA-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001699797273 1413206989 /nfs/dbraw/zinc/20/69/89/1413206989.db2.gz ZCNGURAMGRTALR-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP CC1(C)CC(C[N@@H+]2CC[C@@](C)(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001699823011 1413246255 /nfs/dbraw/zinc/24/62/55/1413246255.db2.gz BYXVXDDYPMNXMC-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699874772 1413329275 /nfs/dbraw/zinc/32/92/75/1413329275.db2.gz QTIPNTDIFNTCQY-GHOSXJJBSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001699937834 1413381230 /nfs/dbraw/zinc/38/12/30/1413381230.db2.gz VDEFNFKOIWRJNG-YQJUVHNHSA-N 2 0 335.536 3.044 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCC1)C2 ZINC001699976626 1413418905 /nfs/dbraw/zinc/41/89/05/1413418905.db2.gz RIHUYZRPOYHLDS-ZCNNSNEGSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001700015340 1413461293 /nfs/dbraw/zinc/46/12/93/1413461293.db2.gz BEUQZTOEVRODSW-AQNXPRMDSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)CC[N@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001700091930 1413505699 /nfs/dbraw/zinc/50/56/99/1413505699.db2.gz UBSUUUJMTPZVIS-SFHVURJKSA-N 2 0 345.531 3.123 10 0 EGAERP O=C(N[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001700101520 1413519093 /nfs/dbraw/zinc/51/90/93/1413519093.db2.gz IDMQAQVQTRHJKL-MUGJNUQGSA-N 2 0 347.547 3.068 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1 ZINC001700102946 1413520760 /nfs/dbraw/zinc/52/07/60/1413520760.db2.gz HMRUYIICTOKYKZ-WGSAOQKQSA-N 2 0 335.536 3.093 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001700187315 1413610358 /nfs/dbraw/zinc/61/03/58/1413610358.db2.gz OSLNPTMHJRXZNT-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001700225135 1413675890 /nfs/dbraw/zinc/67/58/90/1413675890.db2.gz XGBKSYHQDDXEBE-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001700263629 1413710243 /nfs/dbraw/zinc/71/02/43/1413710243.db2.gz LKNOMRBDKPTJHW-CFPAGDMOSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CCC3(CC3)CC2)[C@@H](C)C1 ZINC001700272547 1413718110 /nfs/dbraw/zinc/71/81/10/1413718110.db2.gz CJCRHVXWPPVPLP-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001700280452 1413725481 /nfs/dbraw/zinc/72/54/81/1413725481.db2.gz LNCZJNKHVXUGDY-VOFKWLDRSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)C(C)(C)C1 ZINC001700291598 1413744668 /nfs/dbraw/zinc/74/46/68/1413744668.db2.gz IMVGBNHDWXKTFQ-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001700293364 1413750005 /nfs/dbraw/zinc/75/00/05/1413750005.db2.gz QBXDYZGKTYLDQK-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001700398043 1413930698 /nfs/dbraw/zinc/93/06/98/1413930698.db2.gz SQFWAXWULDWSKR-ROUUACIJSA-N 2 0 345.531 3.242 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCCC1CCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001700442995 1414016018 /nfs/dbraw/zinc/01/60/18/1414016018.db2.gz PLTHBFXPQUGXBK-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001700460391 1414056033 /nfs/dbraw/zinc/05/60/33/1414056033.db2.gz JDJHDKUTFZBYQL-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)CC1=CCCCC1 ZINC001700460056 1414056695 /nfs/dbraw/zinc/05/66/95/1414056695.db2.gz KIMSDAZYVJFMES-OAHLLOKOSA-N 2 0 349.544 3.360 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C/c1ccccc1 ZINC001700461653 1414061100 /nfs/dbraw/zinc/06/11/00/1414061100.db2.gz AJABRHZILJSWKV-MRDYICJFSA-N 2 0 343.515 3.009 10 0 EGAERP Cc1cccc(C[NH+]2CCCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c1 ZINC001700532068 1414199062 /nfs/dbraw/zinc/19/90/62/1414199062.db2.gz SOWWJNNFQIKSEN-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001700665422 1414324355 /nfs/dbraw/zinc/32/43/55/1414324355.db2.gz OKGNVRZSIFWHJE-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700750327 1414419643 /nfs/dbraw/zinc/41/96/43/1414419643.db2.gz AXKAXWKSHQWKBD-UXRNRCMTSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001700750710 1414420437 /nfs/dbraw/zinc/42/04/37/1414420437.db2.gz DJLUMWVIQMIFKN-PXNSSMCTSA-N 2 0 343.515 3.030 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCCCCC1)CC2)[NH+](C)C ZINC001700867944 1414520980 /nfs/dbraw/zinc/52/09/80/1414520980.db2.gz PKOOOPIGYADMFF-DYXWJJEUSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001700918126 1414570119 /nfs/dbraw/zinc/57/01/19/1414570119.db2.gz ZNYKNGCPMRRJNW-XUVXKRRUSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC[NH+](C)CC=C(C)C)C(C)C)C1 ZINC001700972866 1414599802 /nfs/dbraw/zinc/59/98/02/1414599802.db2.gz XDSSDJBEVIDSCI-IBGZPJMESA-N 2 0 337.552 3.243 10 0 EGAERP CCCCC[NH+]1CCC([C@H](C)NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001701011471 1414671099 /nfs/dbraw/zinc/67/10/99/1414671099.db2.gz PUTBNGMWZQXWBA-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1)[NH+](C)C ZINC001701032283 1414695698 /nfs/dbraw/zinc/69/56/98/1414695698.db2.gz SNTODDPJZLWRIK-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2CC(C)C)CC1 ZINC001701052301 1414707901 /nfs/dbraw/zinc/70/79/01/1414707901.db2.gz YYDXVACREKVOBC-RRFGBZISSA-N 2 0 347.547 3.211 10 0 EGAERP C[N@H+](CCC(=O)NCC1=CC[NH+](CCC2CC2)CC1)C1CCCCC1 ZINC001701053478 1414709996 /nfs/dbraw/zinc/70/99/96/1414709996.db2.gz JTWNXGJUOCPEBU-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CCCC1CCCC1 ZINC001732597662 1428838194 /nfs/dbraw/zinc/83/81/94/1428838194.db2.gz QBTBZCOKNSAUFS-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC[NH+](C)CCCC1CCCC1 ZINC001732597660 1428839030 /nfs/dbraw/zinc/83/90/30/1428839030.db2.gz QBTBZCOKNSAUFS-HDICACEKSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@@H]21 ZINC001732606680 1428861497 /nfs/dbraw/zinc/86/14/97/1428861497.db2.gz RJKHYMMFLIDJJN-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732689214 1428910934 /nfs/dbraw/zinc/91/09/34/1428910934.db2.gz DPIXCRPADUKYMD-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(CC)CC[NH2+]CC1CCC(C)CC1 ZINC001732774778 1428961868 /nfs/dbraw/zinc/96/18/68/1428961868.db2.gz FEAMMXXPUMPXIA-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001732793092 1428974776 /nfs/dbraw/zinc/97/47/76/1428974776.db2.gz ARZXSNDFARMFLO-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732812595 1428990757 /nfs/dbraw/zinc/99/07/57/1428990757.db2.gz QOAQSRUWHFTPPY-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001732812001 1428990298 /nfs/dbraw/zinc/99/02/98/1428990298.db2.gz IIUBOHJORFQDQW-ROUUACIJSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001732904033 1429038554 /nfs/dbraw/zinc/03/85/54/1429038554.db2.gz XULRUIVGBWBMIU-LXQCCHTASA-N 2 0 337.895 3.003 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001732984694 1429112483 /nfs/dbraw/zinc/11/24/83/1429112483.db2.gz XVJWMHQNJUFEHN-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001707065429 1417180275 /nfs/dbraw/zinc/18/02/75/1417180275.db2.gz XKLZVIZLKVTWGF-SCTDSRPQSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039070 1429166428 /nfs/dbraw/zinc/16/64/28/1429166428.db2.gz RQAFRVGTOLVKDF-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[NH+]1CCCC1 ZINC001707168769 1417227832 /nfs/dbraw/zinc/22/78/32/1417227832.db2.gz RSKPSRWUGKJJQN-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCCC3CCC3)[C@@H]2C1(C)C ZINC001707186256 1417235806 /nfs/dbraw/zinc/23/58/06/1417235806.db2.gz MYCWMXPXCRDZHU-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)[C@H]1CC ZINC001707204049 1417243830 /nfs/dbraw/zinc/24/38/30/1417243830.db2.gz HQYBKURPIAFMII-OZHPBFKBSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CC/C=C\c1ccccc1 ZINC001707257209 1417268837 /nfs/dbraw/zinc/26/88/37/1417268837.db2.gz BRIUCIKSDLBAEK-QJWLNXOLSA-N 2 0 343.515 3.011 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001707279308 1417287461 /nfs/dbraw/zinc/28/74/61/1417287461.db2.gz CTLCTXBXQLTMBC-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC001707375123 1417300325 /nfs/dbraw/zinc/30/03/25/1417300325.db2.gz LUZMKQPXNOUZLC-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001707419978 1417327529 /nfs/dbraw/zinc/32/75/29/1417327529.db2.gz ZTQCQHWELRAMNX-VQTJNVASSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001707419977 1417327684 /nfs/dbraw/zinc/32/76/84/1417327684.db2.gz ZTQCQHWELRAMNX-UXHICEINSA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001707424895 1417331393 /nfs/dbraw/zinc/33/13/93/1417331393.db2.gz ZGASKGNINMZDGM-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707434442 1417338716 /nfs/dbraw/zinc/33/87/16/1417338716.db2.gz KLPDWKIXSXYZSZ-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707434440 1417338832 /nfs/dbraw/zinc/33/88/32/1417338832.db2.gz KLPDWKIXSXYZSZ-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@H](C)c2ccccc2)CC[N@@H+]1C ZINC001707450579 1417354595 /nfs/dbraw/zinc/35/45/95/1417354595.db2.gz AZWDDRYLVWTDLB-YZGWKJHDSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CCC1=CCCCC1 ZINC001707461464 1417362648 /nfs/dbraw/zinc/36/26/48/1417362648.db2.gz QAIWTPPUMRYYND-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP C[N@H+](CCCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CCC2(CC2)CC1 ZINC001712952830 1417509956 /nfs/dbraw/zinc/50/99/56/1417509956.db2.gz UZPHWPWBSZYDRR-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001712999947 1417552954 /nfs/dbraw/zinc/55/29/54/1417552954.db2.gz PFZALDOQGWFKSE-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713004710 1417558431 /nfs/dbraw/zinc/55/84/31/1417558431.db2.gz RYQWQNXDYXNDKI-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)Cc1ccccc1 ZINC001713016419 1417569977 /nfs/dbraw/zinc/56/99/77/1417569977.db2.gz YMURYSBXKXZJRK-WOJBJXKFSA-N 2 0 343.515 3.032 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001713052347 1417604582 /nfs/dbraw/zinc/60/45/82/1417604582.db2.gz BWXRUQZVVDJCQY-LJQANCHMSA-N 2 0 347.547 3.284 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713094519 1417642795 /nfs/dbraw/zinc/64/27/95/1417642795.db2.gz HVGUEJQTJBRIEQ-YSKLNCTFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713096441 1417646189 /nfs/dbraw/zinc/64/61/89/1417646189.db2.gz YMENPJVBFCEPFG-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)C12CCC[NH+](CCC1)C2 ZINC001713162350 1417737616 /nfs/dbraw/zinc/73/76/16/1417737616.db2.gz BUQLOODNTMYMOP-WGSAOQKQSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)C1 ZINC001713224623 1417812856 /nfs/dbraw/zinc/81/28/56/1417812856.db2.gz YUVVECXWCTYVBR-DLBZAZTESA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001713245322 1417831720 /nfs/dbraw/zinc/83/17/20/1417831720.db2.gz AQFDFDZRIKLBJE-ZRHASKPBSA-N 2 0 335.536 3.047 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001713256452 1417857187 /nfs/dbraw/zinc/85/71/87/1417857187.db2.gz GVSGVHMWIQNPEJ-XJDXJNMNSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCC(C)C ZINC001713272522 1417888130 /nfs/dbraw/zinc/88/81/30/1417888130.db2.gz WMVMKNXEOPRCAI-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001713279712 1417905903 /nfs/dbraw/zinc/90/59/03/1417905903.db2.gz SQBMOPRWUNUPRY-AZUAARDMSA-N 2 0 347.547 3.189 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713289665 1417917355 /nfs/dbraw/zinc/91/73/55/1417917355.db2.gz PHZAFWJEHJRDDF-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001713311324 1417935943 /nfs/dbraw/zinc/93/59/43/1417935943.db2.gz NETHLUTXMBIVCD-UBZMYNMCSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001713316399 1417941558 /nfs/dbraw/zinc/94/15/58/1417941558.db2.gz QBGUVHSFISCLNP-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713373323 1417984026 /nfs/dbraw/zinc/98/40/26/1417984026.db2.gz BRVHWGVZQGZBER-XOIGSVRCSA-N 2 0 347.547 3.378 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713375958 1417986082 /nfs/dbraw/zinc/98/60/82/1417986082.db2.gz YGUDWIUFGLJMJF-ZWKOTPCHSA-N 2 0 335.536 3.212 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001713379017 1417989425 /nfs/dbraw/zinc/98/94/25/1417989425.db2.gz MTUZOIZCMKRYBP-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713401667 1418024367 /nfs/dbraw/zinc/02/43/67/1418024367.db2.gz SFRUWKHUTDDISX-IBGZPJMESA-N 2 0 337.552 3.366 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456652 1418108338 /nfs/dbraw/zinc/10/83/38/1418108338.db2.gz WOFXIGCXBKYYAA-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713505582 1418227542 /nfs/dbraw/zinc/22/75/42/1418227542.db2.gz FYBLJUNGSHJKPK-QWNKOJSDSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@@H+]2CC2CCC3(CC3)CC2)CCC1 ZINC001713508892 1418234077 /nfs/dbraw/zinc/23/40/77/1418234077.db2.gz SMDLWMFCJVEETL-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713531302 1418279482 /nfs/dbraw/zinc/27/94/82/1418279482.db2.gz XKXQVUFJSSYRHJ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]2CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001713540264 1418300681 /nfs/dbraw/zinc/30/06/81/1418300681.db2.gz WENJKKRMDULQRZ-FQEVSTJZSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1ccc(C2CCCC2)cc1 ZINC001713666752 1418422482 /nfs/dbraw/zinc/42/24/82/1418422482.db2.gz BFOOTNCPTVBPPI-UHFFFAOYSA-N 2 0 345.531 3.232 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001713678191 1418430267 /nfs/dbraw/zinc/43/02/67/1418430267.db2.gz UKKUCGCCCHPDIB-YKMDAGRBSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+][C@H](C)c2ccccc2)CC1 ZINC001713683993 1418437071 /nfs/dbraw/zinc/43/70/71/1418437071.db2.gz GNYUAGXMNSHGBP-MSOLQXFVSA-N 2 0 345.531 3.305 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)c1ccccc1)[NH+](C)C ZINC001713700092 1418456915 /nfs/dbraw/zinc/45/69/15/1418456915.db2.gz AYCKCGFPXCDMOO-PMACEKPBSA-N 2 0 343.515 3.274 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)[NH+]1CCCCCC1 ZINC001713705047 1418464823 /nfs/dbraw/zinc/46/48/23/1418464823.db2.gz QJSPMXYHIYEOAO-FXAWDEMLSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001713899335 1418699009 /nfs/dbraw/zinc/69/90/09/1418699009.db2.gz BLSQUQMSXYYZHV-HXUWFJFHSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713977949 1418759320 /nfs/dbraw/zinc/75/93/20/1418759320.db2.gz KTBXLXVKNQFJMV-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714005432 1418785388 /nfs/dbraw/zinc/78/53/88/1418785388.db2.gz GAJWBZGYERIWLF-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCC3CCCCC3)C2)C1 ZINC001714043780 1418835304 /nfs/dbraw/zinc/83/53/04/1418835304.db2.gz ZAZZVAPWKJHATP-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714052815 1418851786 /nfs/dbraw/zinc/85/17/86/1418851786.db2.gz DBCHKYIPPFVVDT-FQEVSTJZSA-N 2 0 347.547 3.286 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001714080153 1418874183 /nfs/dbraw/zinc/87/41/83/1418874183.db2.gz LVUVKRXCMLVBJS-AZUAARDMSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1c(C)cccc1C ZINC001714095646 1418889411 /nfs/dbraw/zinc/88/94/11/1418889411.db2.gz KZTMKXCVSZEEEJ-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001714099436 1418895727 /nfs/dbraw/zinc/89/57/27/1418895727.db2.gz OHHHYHHKYWEHNV-WDSOQIARSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001714142642 1418944971 /nfs/dbraw/zinc/94/49/71/1418944971.db2.gz XGLOMXOJIYPKFA-WOJBJXKFSA-N 2 0 343.515 3.204 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CCCC1 ZINC001714152729 1418959567 /nfs/dbraw/zinc/95/95/67/1418959567.db2.gz ZNFUQKPLRXCOLL-IAGOWNOFSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001714192805 1418998637 /nfs/dbraw/zinc/99/86/37/1418998637.db2.gz GUHRVMDHQMNBOM-ABHNRTSZSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714228164 1419021567 /nfs/dbraw/zinc/02/15/67/1419021567.db2.gz BZPDLOZVYTUXOP-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001714234936 1419025770 /nfs/dbraw/zinc/02/57/70/1419025770.db2.gz JRVWWJWARPXVHA-PMACEKPBSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@H]([NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001714247554 1419034102 /nfs/dbraw/zinc/03/41/02/1419034102.db2.gz ZLQZFVKWQDZPTK-MJGOQNOKSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001714247552 1419034414 /nfs/dbraw/zinc/03/44/14/1419034414.db2.gz ZLQZFVKWQDZPTK-HKUYNNGSSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001714282395 1419062265 /nfs/dbraw/zinc/06/22/65/1419062265.db2.gz PFFLBAFWDZAHPK-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714403307 1419145405 /nfs/dbraw/zinc/14/54/05/1419145405.db2.gz LNVIZIHGXXFNNI-IFEVLTCRSA-N 2 0 347.547 3.236 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714409771 1419149399 /nfs/dbraw/zinc/14/93/99/1419149399.db2.gz BYCWVWAGIUKBJR-RTBURBONSA-N 2 0 331.504 3.179 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001714417777 1419154893 /nfs/dbraw/zinc/15/48/93/1419154893.db2.gz QGDOODZRXXSWJX-MOPGFXCFSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714448345 1419180733 /nfs/dbraw/zinc/18/07/33/1419180733.db2.gz PTCKYWVIASVRAW-HXUWFJFHSA-N 2 0 345.531 3.331 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714542822 1419268230 /nfs/dbraw/zinc/26/82/30/1419268230.db2.gz SOQIDQOCIBHTGH-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)Cc1ccc(C)cc1C ZINC001714583113 1419322807 /nfs/dbraw/zinc/32/28/07/1419322807.db2.gz LAJUGFDMPFUYCX-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)CC1CC(C)(C)C1 ZINC001714592214 1419339700 /nfs/dbraw/zinc/33/97/00/1419339700.db2.gz CNOMTGJBYCMFGH-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP CN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714713409 1419481188 /nfs/dbraw/zinc/48/11/88/1419481188.db2.gz DUQALAFUEOOSBL-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001714717735 1419482699 /nfs/dbraw/zinc/48/26/99/1419482699.db2.gz RFERADMQPCMTAK-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714754007 1419495194 /nfs/dbraw/zinc/49/51/94/1419495194.db2.gz WWTKCZIECNUSBY-LPHOPBHVSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001714814074 1419524689 /nfs/dbraw/zinc/52/46/89/1419524689.db2.gz UBGICGYEPNEBNU-HKUYNNGSSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1CC1 ZINC001714827734 1419537836 /nfs/dbraw/zinc/53/78/36/1419537836.db2.gz HPVZUTQQIQOTHV-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001714884485 1419623784 /nfs/dbraw/zinc/62/37/84/1419623784.db2.gz NDHLPCXVPDSBQC-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1c(C(=O)N[C@H](C[NH2+]CC[C@H](C)F)CC(C)C)ccc2c[nH+]cn21 ZINC001714917390 1419668854 /nfs/dbraw/zinc/66/88/54/1419668854.db2.gz CUSBNRSPYJTWJN-HOCLYGCPSA-N 2 0 348.466 3.125 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001714924711 1419677799 /nfs/dbraw/zinc/67/77/99/1419677799.db2.gz COEKGAGNVLWFSI-IBGZPJMESA-N 2 0 337.552 3.029 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC1C[NH+](CCC2CCCCC2)C1 ZINC001714961587 1419701448 /nfs/dbraw/zinc/70/14/48/1419701448.db2.gz SAXSEBOYCIJGSH-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]Cc2cccc(C)c2)C1 ZINC001715076800 1419811689 /nfs/dbraw/zinc/81/16/89/1419811689.db2.gz VGVKAEJHPJUKAK-VQTJNVASSA-N 2 0 345.531 3.101 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]CC2CC(C)(C)C2)C1 ZINC001715077316 1419812079 /nfs/dbraw/zinc/81/20/79/1419812079.db2.gz XBBNGKKCXSQGHS-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)[C@H](C)C1 ZINC001715077849 1419812664 /nfs/dbraw/zinc/81/26/64/1419812664.db2.gz WNAKLHUMBFITBF-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001715094491 1419835332 /nfs/dbraw/zinc/83/53/32/1419835332.db2.gz PMZAPCYKRZLJMN-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CC2CCCCC2)CCCC1 ZINC001715096814 1419837097 /nfs/dbraw/zinc/83/70/97/1419837097.db2.gz BSEOCLQQZGVJOS-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001715143296 1419889992 /nfs/dbraw/zinc/88/99/92/1419889992.db2.gz UVXSOZZZTTYXGK-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCC3)C2)C1 ZINC001715157639 1419899706 /nfs/dbraw/zinc/89/97/06/1419899706.db2.gz ZANRHCVYFPSBNY-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F ZINC001715213378 1419945619 /nfs/dbraw/zinc/94/56/19/1419945619.db2.gz BNTUESKPEPORIP-GOSISDBHSA-N 2 0 349.494 3.028 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCC2)C1 ZINC001715214326 1419946021 /nfs/dbraw/zinc/94/60/21/1419946021.db2.gz IRWIYFGQERLRLT-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001715304609 1420013005 /nfs/dbraw/zinc/01/30/05/1420013005.db2.gz CDQVQUMKUXTFCP-RDJZCZTQSA-N 2 0 342.487 3.273 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001715342638 1420045128 /nfs/dbraw/zinc/04/51/28/1420045128.db2.gz ZXWOTFUMLRCRKE-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715353869 1420053933 /nfs/dbraw/zinc/05/39/33/1420053933.db2.gz KQGJOKFICOIIPC-QZTJIDSGSA-N 2 0 345.531 3.367 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001715358114 1420057152 /nfs/dbraw/zinc/05/71/52/1420057152.db2.gz UYLPHMBIKHAGGV-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715447466 1420131202 /nfs/dbraw/zinc/13/12/02/1420131202.db2.gz SSGGPTRFIGZJAK-PHWHVTFISA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001715491714 1420173063 /nfs/dbraw/zinc/17/30/63/1420173063.db2.gz UDXSNFIPZNVWAI-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CC[NH+](C)CC3CCCC3)CC2)C1 ZINC001715498699 1420180594 /nfs/dbraw/zinc/18/05/94/1420180594.db2.gz OUIVMLRLLQESHB-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001715674382 1420288998 /nfs/dbraw/zinc/28/89/98/1420288998.db2.gz KGQFAOFKQHGNQD-QYZOEREBSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)(C)CCC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001715888418 1420384146 /nfs/dbraw/zinc/38/41/46/1420384146.db2.gz ZKTPBRBMMYBXQA-ZLKFPQNLSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001715911666 1420394261 /nfs/dbraw/zinc/39/42/61/1420394261.db2.gz JFKRKRFSLOGTEY-OVKVCFKUSA-N 2 0 343.515 3.194 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001716040439 1420501805 /nfs/dbraw/zinc/50/18/05/1420501805.db2.gz HYUDSSXQYZHWRA-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001716145017 1420541072 /nfs/dbraw/zinc/54/10/72/1420541072.db2.gz CAMNEOMEUUOIBN-QZTJIDSGSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@H](CC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716164372 1420547628 /nfs/dbraw/zinc/54/76/28/1420547628.db2.gz RTTTWMQMBVINCX-CVEARBPZSA-N 2 0 349.494 3.246 10 0 EGAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716224282 1420571493 /nfs/dbraw/zinc/57/14/93/1420571493.db2.gz OXHKTFROYDBEBB-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001716243476 1420579214 /nfs/dbraw/zinc/57/92/14/1420579214.db2.gz HAOOAADFQYHNQN-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001716329988 1420606444 /nfs/dbraw/zinc/60/64/44/1420606444.db2.gz NBPCCSDAXBQQBR-HKVCONOFSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001716483075 1420701647 /nfs/dbraw/zinc/70/16/47/1420701647.db2.gz YJMYTCMURXNFQL-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001716494091 1420716226 /nfs/dbraw/zinc/71/62/26/1420716226.db2.gz XTOPCKGFESDXKX-DLBZAZTESA-N 2 0 341.499 3.289 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716513403 1420743760 /nfs/dbraw/zinc/74/37/60/1420743760.db2.gz BIXBQJYJWPZQML-MOPGFXCFSA-N 2 0 347.547 3.093 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001716549886 1420757881 /nfs/dbraw/zinc/75/78/81/1420757881.db2.gz MAEVCXZYBGYCJW-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001716691419 1420844006 /nfs/dbraw/zinc/84/40/06/1420844006.db2.gz JTGUGFSBIGDLQG-LLHWWHOWSA-N 2 0 347.547 3.378 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001716691420 1420844098 /nfs/dbraw/zinc/84/40/98/1420844098.db2.gz JTGUGFSBIGDLQG-RTLBZRNLSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733276700 1429441706 /nfs/dbraw/zinc/44/17/06/1429441706.db2.gz KZVPXVIWQFVGCI-UHFFFAOYSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)CC3CC[NH+](C)CC3)C2)C1 ZINC001716723612 1420880989 /nfs/dbraw/zinc/88/09/89/1420880989.db2.gz MZLCHUYBUWDRFE-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001716728005 1420886539 /nfs/dbraw/zinc/88/65/39/1420886539.db2.gz MHLLEMZKFZIDSA-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001716782398 1420919730 /nfs/dbraw/zinc/91/97/30/1420919730.db2.gz DGUUHJGCWBPXDS-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CCCC1 ZINC001716819089 1420945468 /nfs/dbraw/zinc/94/54/68/1420945468.db2.gz QOLQSAQHMRSJBT-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001716820811 1420946869 /nfs/dbraw/zinc/94/68/69/1420946869.db2.gz JGOQWSAKYGXIDB-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001716844469 1420971097 /nfs/dbraw/zinc/97/10/97/1420971097.db2.gz UFQBGRDJYGXOPR-XLIONFOSSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716864101 1420993458 /nfs/dbraw/zinc/99/34/58/1420993458.db2.gz AFPXWZLXRQDJCC-PZJWPPBQSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716867726 1420996318 /nfs/dbraw/zinc/99/63/18/1420996318.db2.gz WARDIHHYWMDFBA-SGSXCFNPSA-N 2 0 347.547 3.047 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001716952607 1421048491 /nfs/dbraw/zinc/04/84/91/1421048491.db2.gz IMMWHMKZULJAJC-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCCC2)CC1 ZINC001717002557 1421072045 /nfs/dbraw/zinc/07/20/45/1421072045.db2.gz UUNDHRGBQBQNPV-WGSAOQKQSA-N 2 0 337.552 3.031 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@@H](C)C1 ZINC001717038080 1421092491 /nfs/dbraw/zinc/09/24/91/1421092491.db2.gz NKUHQEZLSVVXBM-UEIMZRGPSA-N 2 0 347.547 3.140 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+](C)C)CC2)CC1 ZINC001717199826 1421166817 /nfs/dbraw/zinc/16/68/17/1421166817.db2.gz UGYKJRIIXUDZDU-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717201418 1421169056 /nfs/dbraw/zinc/16/90/56/1421169056.db2.gz BLBZIUJABJSYGJ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001717239151 1421207048 /nfs/dbraw/zinc/20/70/48/1421207048.db2.gz AMEGNKRRLXEZSX-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CCC1([NH2+]CC2CCCCC2)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001717240490 1421208791 /nfs/dbraw/zinc/20/87/91/1421208791.db2.gz ZWNQNJYRKJOYSW-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C1(C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001717301569 1421243700 /nfs/dbraw/zinc/24/37/00/1421243700.db2.gz WARWLQGXSOPQSX-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310198 1421253233 /nfs/dbraw/zinc/25/32/33/1421253233.db2.gz CPYDODWVNDNSFN-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717313088 1421258508 /nfs/dbraw/zinc/25/85/08/1421258508.db2.gz KMRFKZPEOBEZHI-SFFCAUCYSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1CC ZINC001717375888 1421317511 /nfs/dbraw/zinc/31/75/11/1421317511.db2.gz FXKYDMUUFQQJEC-MOPGFXCFSA-N 2 0 337.552 3.364 10 0 EGAERP Cc1c(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001717414324 1421345539 /nfs/dbraw/zinc/34/55/39/1421345539.db2.gz BUOJOMFGNVJYAD-HUUCEWRRSA-N 2 0 342.487 3.319 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001717423426 1421353073 /nfs/dbraw/zinc/35/30/73/1421353073.db2.gz SIQMTXHGBSZJCG-JKSUJKDBSA-N 2 0 349.494 3.013 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001717526318 1421462083 /nfs/dbraw/zinc/46/20/83/1421462083.db2.gz YGCXSIPKYQNLPC-SNAWJCMRSA-N 2 0 349.563 3.483 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CC2=CCCCC2)C1 ZINC001717541219 1421481587 /nfs/dbraw/zinc/48/15/87/1421481587.db2.gz WDKPZUDQCUSXFO-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001717542893 1421483571 /nfs/dbraw/zinc/48/35/71/1421483571.db2.gz NUZBJYLVXMXAFQ-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)CCC[N@@H+]1C[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001717582651 1421509084 /nfs/dbraw/zinc/50/90/84/1421509084.db2.gz NLSNEFXCIYLEQT-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585267 1421512087 /nfs/dbraw/zinc/51/20/87/1421512087.db2.gz NKQRVZFNQOFGIA-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C3CCC3)C[C@@]2(C)C1 ZINC001717631185 1421541249 /nfs/dbraw/zinc/54/12/49/1421541249.db2.gz OXVJBAXIHOTSKT-OYRHEFFESA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001717743041 1421606449 /nfs/dbraw/zinc/60/64/49/1421606449.db2.gz WQGHTNVGIIMSMT-DLBZAZTESA-N 2 0 333.520 3.259 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758680 1421621374 /nfs/dbraw/zinc/62/13/74/1421621374.db2.gz ZNLWCXHXWKPSBZ-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001717842702 1421657862 /nfs/dbraw/zinc/65/78/62/1421657862.db2.gz TZTWTZVFFKHPCP-NLWGTHIKSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[C@@H](C[NH2+]CC2CCC2)C1 ZINC001717874224 1421681834 /nfs/dbraw/zinc/68/18/34/1421681834.db2.gz AEOAYGAQOMZGNP-QZTJIDSGSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001733327317 1429512630 /nfs/dbraw/zinc/51/26/30/1429512630.db2.gz NCKCDMBBRYPCNS-IAGOWNOFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733345682 1429527475 /nfs/dbraw/zinc/52/74/75/1429527475.db2.gz RAUUONPPUHOPEO-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001733387206 1429575310 /nfs/dbraw/zinc/57/53/10/1429575310.db2.gz MNSYKWIZIMEOGE-OALUTQOASA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC/C=C/c2ccccc2)C1 ZINC001733418148 1429623593 /nfs/dbraw/zinc/62/35/93/1429623593.db2.gz UYUQFBJFMAEDIS-HSRJRILOSA-N 2 0 343.515 3.011 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@](C)(CNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001733466971 1429701039 /nfs/dbraw/zinc/70/10/39/1429701039.db2.gz BZNIFHXYDJFZCP-GRERDSQWSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]Cc1c(C)cccc1C ZINC001723202337 1424320235 /nfs/dbraw/zinc/32/02/35/1424320235.db2.gz CBTWQIAAJDNDEU-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CC2)cc1 ZINC001723554303 1424462558 /nfs/dbraw/zinc/46/25/58/1424462558.db2.gz QDVOWIAGOYRRPX-INIZCTEOSA-N 2 0 331.504 3.061 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+][C@H](C)c2cccc(C)c2)CC1 ZINC001723594540 1424480769 /nfs/dbraw/zinc/48/07/69/1424480769.db2.gz GCOXGUWAROFEJO-IEBWSBKVSA-N 2 0 343.515 3.169 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001723608858 1424490076 /nfs/dbraw/zinc/49/00/76/1424490076.db2.gz SCPRFKWNIFHVQL-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723680883 1424528407 /nfs/dbraw/zinc/52/84/07/1424528407.db2.gz SCRGPELOXNFYEL-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001723738194 1424553233 /nfs/dbraw/zinc/55/32/33/1424553233.db2.gz AGBNJWRGGAMPSV-RMUOZIPVSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001723738195 1424553561 /nfs/dbraw/zinc/55/35/61/1424553561.db2.gz AGBNJWRGGAMPSV-YAQIIAKESA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CCC[NH+]1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001723781733 1424565207 /nfs/dbraw/zinc/56/52/07/1424565207.db2.gz KKUPCTJNTSQWDG-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723854402 1424585931 /nfs/dbraw/zinc/58/59/31/1424585931.db2.gz AWDVEQLGWHDKGL-FUHWJXTLSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001723872777 1424593098 /nfs/dbraw/zinc/59/30/98/1424593098.db2.gz GJABZLBNBKEBCG-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001723906123 1424603059 /nfs/dbraw/zinc/60/30/59/1424603059.db2.gz LAJPVOGWNZVTOA-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001723964925 1424613363 /nfs/dbraw/zinc/61/33/63/1424613363.db2.gz VTYRYTHSSYMHRG-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533231 1429739888 /nfs/dbraw/zinc/73/98/88/1429739888.db2.gz ITBRWSIYYUKIGJ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537835 1429744279 /nfs/dbraw/zinc/74/42/79/1429744279.db2.gz IHUWUCSPKQIUJF-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001724176685 1424712664 /nfs/dbraw/zinc/71/26/64/1424712664.db2.gz XTFANXAKNIXAQG-YZKSSJSGSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001724176682 1424713546 /nfs/dbraw/zinc/71/35/46/1424713546.db2.gz XTFANXAKNIXAQG-OANMOWAGSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H]([NH2+]C[C@@]1(C)CCN(C(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001724266369 1424764224 /nfs/dbraw/zinc/76/42/24/1424764224.db2.gz FASLCRSVNQGFFN-PZJWPPBQSA-N 2 0 343.515 3.062 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@]1(C)CCC[N@@H+](C(C)C)C1)[NH+]1CCCCC1 ZINC001724342917 1424841144 /nfs/dbraw/zinc/84/11/44/1424841144.db2.gz FMNVBMPTPPXPES-UYAOXDASSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CC[C@H](C[NH2+]CC3CCCC3)CC2)C1 ZINC001724614527 1424960836 /nfs/dbraw/zinc/96/08/36/1424960836.db2.gz SPRHCJRDNKITFN-UFYCRDLUSA-N 2 0 349.563 3.031 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@@H](CC[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001724711654 1425067255 /nfs/dbraw/zinc/06/72/55/1425067255.db2.gz HKBXWSIUOGUPCC-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001724719300 1425072330 /nfs/dbraw/zinc/07/23/30/1425072330.db2.gz ZUTGXGNVVYFMRM-QUCCMNQESA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](CC(=O)NCc1ccccc1C[N@H+](C)CC1CC1)CC(C)(C)C ZINC001724737883 1425098686 /nfs/dbraw/zinc/09/86/86/1425098686.db2.gz FUGADGXBVACEII-UHFFFAOYSA-N 2 0 345.531 3.123 10 0 EGAERP CCCCC[N@H+](C)Cc1ccccc1CNC(=O)C12CC[NH+](CC1)C2 ZINC001724743428 1425111857 /nfs/dbraw/zinc/11/18/57/1425111857.db2.gz VUKIZTVHXCHXTC-UHFFFAOYSA-N 2 0 343.515 3.021 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001724754551 1425125201 /nfs/dbraw/zinc/12/52/01/1425125201.db2.gz HUDTWHFFDACVHK-MXVIHJGJSA-N 2 0 347.547 3.237 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001724760287 1425131102 /nfs/dbraw/zinc/13/11/02/1425131102.db2.gz WCWRHGJKVDQBJX-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCC1 ZINC001724798155 1425166742 /nfs/dbraw/zinc/16/67/42/1425166742.db2.gz UULWJLVSJPNGFE-SQNIBIBYSA-N 2 0 337.552 3.027 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001724839276 1425187858 /nfs/dbraw/zinc/18/78/58/1425187858.db2.gz AKZUCUZOMMQMFZ-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC2CC2)CC1 ZINC001724860153 1425242955 /nfs/dbraw/zinc/24/29/55/1425242955.db2.gz GZMMKELZMOORMM-BGYRXZFFSA-N 2 0 347.547 3.116 10 0 EGAERP CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001724967801 1425362523 /nfs/dbraw/zinc/36/25/23/1425362523.db2.gz WJVDLLKSHOPNHI-KRWDZBQOSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001724970024 1425368096 /nfs/dbraw/zinc/36/80/96/1425368096.db2.gz KIIXUMBGWXCFDW-HPFMTEOYSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C1 ZINC001724970026 1425369013 /nfs/dbraw/zinc/36/90/13/1425369013.db2.gz KIIXUMBGWXCFDW-IPLHWJFFSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001725000843 1425409576 /nfs/dbraw/zinc/40/95/76/1425409576.db2.gz HDHUDYMDJMEXAI-UYAOXDASSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@H]([NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001725076555 1425516278 /nfs/dbraw/zinc/51/62/78/1425516278.db2.gz RJFBGPFLZFRQOX-PPSBMQLTSA-N 2 0 349.494 3.101 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001725094460 1425537468 /nfs/dbraw/zinc/53/74/68/1425537468.db2.gz PDEFTGXFWRJKRE-HZPDHXFCSA-N 2 0 343.515 3.031 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001725171867 1425681573 /nfs/dbraw/zinc/68/15/73/1425681573.db2.gz NUHNGTRMRZWNEB-UZLBHIALSA-N 2 0 345.531 3.087 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725191502 1425736952 /nfs/dbraw/zinc/73/69/52/1425736952.db2.gz ZINYIKPSIUCSOO-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001725263642 1425895524 /nfs/dbraw/zinc/89/55/24/1425895524.db2.gz ILBCEGZCIKLISA-MSOLQXFVSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001725288893 1425930480 /nfs/dbraw/zinc/93/04/80/1425930480.db2.gz KATLGBIKXGOYQY-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1C[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C(C)(C)C1 ZINC001725288896 1425930530 /nfs/dbraw/zinc/93/05/30/1425930530.db2.gz KATLGBIKXGOYQY-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001725299286 1425947912 /nfs/dbraw/zinc/94/79/12/1425947912.db2.gz QVCVSQAXUYAMAU-GHOSXJJBSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@H]2C1 ZINC001725335414 1425980854 /nfs/dbraw/zinc/98/08/54/1425980854.db2.gz PZTSAUMEKFLLBD-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001725362807 1426013473 /nfs/dbraw/zinc/01/34/73/1426013473.db2.gz AUCYDEMQASXDSQ-WGSAOQKQSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001725366903 1426017001 /nfs/dbraw/zinc/01/70/01/1426017001.db2.gz MIQQPCWXRAXQIK-MKXGPGLRSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCC2=CCCCC2)CC1 ZINC001725428249 1426093678 /nfs/dbraw/zinc/09/36/78/1426093678.db2.gz ZZHSFXVYLNZOPV-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001725470368 1426140484 /nfs/dbraw/zinc/14/04/84/1426140484.db2.gz ZMROLUOHBPUNGS-HXUWFJFHSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001725492951 1426170239 /nfs/dbraw/zinc/17/02/39/1426170239.db2.gz PIKXCDMWXNVYEJ-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCC(C)CC1 ZINC001725508898 1426194746 /nfs/dbraw/zinc/19/47/46/1426194746.db2.gz YKTDUGUGRDHQOX-ADKAHSJRSA-N 2 0 339.568 3.227 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001725510833 1426198129 /nfs/dbraw/zinc/19/81/29/1426198129.db2.gz KADJVHUUAIJDNT-ZWKOTPCHSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001725519112 1426210142 /nfs/dbraw/zinc/21/01/42/1426210142.db2.gz AAKQGCSGALLYSK-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+]1CCCCC1)[NH2+]CCCC(C)(C)C ZINC001725519179 1426210360 /nfs/dbraw/zinc/21/03/60/1426210360.db2.gz BCUHMQTZVQCTLO-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@H]21 ZINC001725623008 1426289196 /nfs/dbraw/zinc/28/91/96/1426289196.db2.gz LHAGFAGNENTSMM-CEXWTWQISA-N 2 0 349.563 3.147 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001725667351 1426350532 /nfs/dbraw/zinc/35/05/32/1426350532.db2.gz DXUYQUDSEWYNTC-QZTJIDSGSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@H](C)c2ccccc2C)C(C)(C)C1 ZINC001725678007 1426364893 /nfs/dbraw/zinc/36/48/93/1426364893.db2.gz OUGXBSOPNUTEGF-MJGOQNOKSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@H+](CC(=O)N1C[C@@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)CC(C)(C)C ZINC001725678240 1426365077 /nfs/dbraw/zinc/36/50/77/1426365077.db2.gz QUFLVXLGGMKLMB-GOSISDBHSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)CC1 ZINC001725680768 1426368866 /nfs/dbraw/zinc/36/88/66/1426368866.db2.gz XTHMBOYOZDBAQX-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC001725762326 1426443159 /nfs/dbraw/zinc/44/31/59/1426443159.db2.gz AHFRUFALKIFUCG-FUHIMQAGSA-N 2 0 345.531 3.305 10 0 EGAERP CCC[NH+]1CCC(C2(NC(=O)[C@@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001725795539 1426481111 /nfs/dbraw/zinc/48/11/11/1426481111.db2.gz YCKKFADRFDAYEU-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@H](CC)c2ccccc2)CC1 ZINC001725834111 1426512977 /nfs/dbraw/zinc/51/29/77/1426512977.db2.gz PLLXGNANCLSNIE-HXUWFJFHSA-N 2 0 343.515 3.228 10 0 EGAERP CC1CCC(C[NH+]2CCC(N(C)C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001731349012 1427286574 /nfs/dbraw/zinc/28/65/74/1427286574.db2.gz CNOOHKXKVFTSHC-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001731423807 1427403676 /nfs/dbraw/zinc/40/36/76/1427403676.db2.gz CCCOXMXQOQMWSE-OALUTQOASA-N 2 0 339.568 3.179 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)C1CCCCC1 ZINC001731482282 1427457360 /nfs/dbraw/zinc/45/73/60/1427457360.db2.gz XJEAOEMPQHOBOA-HDICACEKSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731488222 1427462839 /nfs/dbraw/zinc/46/28/39/1427462839.db2.gz RKJYXVLKVVZCJR-OKYOBFRVSA-N 2 0 337.552 3.168 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731528382 1427518015 /nfs/dbraw/zinc/51/80/15/1427518015.db2.gz ZQGXTMXHGFAPOK-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)[NH+]1CCCC1 ZINC001731537452 1427537452 /nfs/dbraw/zinc/53/74/52/1427537452.db2.gz GWYTUBVWHIKTRU-IBGZPJMESA-N 2 0 343.515 3.032 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001731569029 1427608534 /nfs/dbraw/zinc/60/85/34/1427608534.db2.gz NDIYLAOZJQFBKT-BKBBAENRSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001731569137 1427609083 /nfs/dbraw/zinc/60/90/83/1427609083.db2.gz RAEYDSDNWCVVEM-CTWPCTMYSA-N 2 0 337.552 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(C)ccc2C)C1 ZINC001731615600 1427662954 /nfs/dbraw/zinc/66/29/54/1427662954.db2.gz JICDJMVBFHSFPQ-OALUTQOASA-N 2 0 345.531 3.020 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+][C@H](C)CNC(=O)C[N@@H+](C)C(C)C)c(C)c1C ZINC001731640973 1427700509 /nfs/dbraw/zinc/70/05/09/1427700509.db2.gz RLMOPBNCIMKUAS-CQSZACIVSA-N 2 0 347.547 3.163 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731705643 1427758462 /nfs/dbraw/zinc/75/84/62/1427758462.db2.gz WNTDUXHMTDDLHB-MOPGFXCFSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@H](CCNC(=O)CC[NH+](C)C)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731732775 1427810276 /nfs/dbraw/zinc/81/02/76/1427810276.db2.gz CDVQFGAQCSCCGA-WWDZGPRUSA-N 2 0 339.568 3.275 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731746730 1427837669 /nfs/dbraw/zinc/83/76/69/1427837669.db2.gz JAPYHHZBGGTUHZ-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001731832364 1428043895 /nfs/dbraw/zinc/04/38/95/1428043895.db2.gz BFWNJQGWRXBEPF-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001731854216 1428086515 /nfs/dbraw/zinc/08/65/15/1428086515.db2.gz MBBMCKGTGXLHBQ-PMACEKPBSA-N 2 0 345.531 3.054 10 0 EGAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001733661242 1429853067 /nfs/dbraw/zinc/85/30/67/1429853067.db2.gz PCWJAHCZBGGUBR-ICSRJNTNSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)(C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001733661431 1429854739 /nfs/dbraw/zinc/85/47/39/1429854739.db2.gz OZDUJCLPQAFPJO-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733673393 1429868597 /nfs/dbraw/zinc/86/85/97/1429868597.db2.gz QUIKAPGEUAEERZ-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCCC3)C2)C1 ZINC001733676131 1429871191 /nfs/dbraw/zinc/87/11/91/1429871191.db2.gz GVQPHJSRVHQVNF-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676474 1429871821 /nfs/dbraw/zinc/87/18/21/1429871821.db2.gz NDFNMFOTLQLWBT-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001733678857 1429879277 /nfs/dbraw/zinc/87/92/77/1429879277.db2.gz SWYOLVUXOVKIBV-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCCF)cc1 ZINC001733682757 1429896503 /nfs/dbraw/zinc/89/65/03/1429896503.db2.gz VRVQJIQNNOTMTA-APWZRJJASA-N 2 0 349.494 3.186 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733690488 1429907051 /nfs/dbraw/zinc/90/70/51/1429907051.db2.gz LKZNNVJANIKQQK-WGSAOQKQSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001733724467 1429948799 /nfs/dbraw/zinc/94/87/99/1429948799.db2.gz INQXYHACHUCHMV-SFHVURJKSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCC1)[NH+]1CCCCCC1 ZINC001733724710 1429949176 /nfs/dbraw/zinc/94/91/76/1429949176.db2.gz LUCAJWBNFHVYQL-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001733783055 1430049895 /nfs/dbraw/zinc/04/98/95/1430049895.db2.gz VQOFPEMPROHPAA-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001733861583 1437691265 /nfs/dbraw/zinc/69/12/65/1437691265.db2.gz OZYYYVANUWYFHW-QFBILLFUSA-N 2 0 345.531 3.235 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001733864885 1437692980 /nfs/dbraw/zinc/69/29/80/1437692980.db2.gz ZLLQELCINMEBIU-ZWKOTPCHSA-N 2 0 335.536 3.164 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001733864882 1437693020 /nfs/dbraw/zinc/69/30/20/1437693020.db2.gz ZLLQELCINMEBIU-MSOLQXFVSA-N 2 0 335.536 3.164 10 0 EGAERP CC[C@H](C(=O)N1CCC(C)([NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001733867976 1437694941 /nfs/dbraw/zinc/69/49/41/1437694941.db2.gz SJCMSQOLAPQBQD-LJQANCHMSA-N 2 0 345.531 3.278 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C1 ZINC001733879765 1437706704 /nfs/dbraw/zinc/70/67/04/1437706704.db2.gz UPAOXLLYZCZNCT-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733974229 1437773953 /nfs/dbraw/zinc/77/39/53/1437773953.db2.gz UDALGOAMZTXZEG-DLBZAZTESA-N 2 0 325.541 3.170 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006575 1437798569 /nfs/dbraw/zinc/79/85/69/1437798569.db2.gz PYXGNZZFICUOLO-SJORKVTESA-N 2 0 347.547 3.307 10 0 EGAERP CN(C(=O)C[N@H+](C)C1CCC1)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001734010422 1437802016 /nfs/dbraw/zinc/80/20/16/1437802016.db2.gz AYOXYCIMRAMZIY-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001734067336 1437862556 /nfs/dbraw/zinc/86/25/56/1437862556.db2.gz XVEMWWDOGXDUFM-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734093908 1437878092 /nfs/dbraw/zinc/87/80/92/1437878092.db2.gz OMBDHZFZGOYGIG-IEBWSBKVSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)C[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001734094693 1437878899 /nfs/dbraw/zinc/87/88/99/1437878899.db2.gz FIQIVFVQQGLYQB-SFHVURJKSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CC1=CCCCC1)C1CCC1 ZINC001734103698 1437889321 /nfs/dbraw/zinc/88/93/21/1437889321.db2.gz LSGFIQSWZWLUOK-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001734123738 1437903718 /nfs/dbraw/zinc/90/37/18/1437903718.db2.gz IDQAORYFQDCEHC-IRXDYDNUSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001734250638 1437964274 /nfs/dbraw/zinc/96/42/74/1437964274.db2.gz MJNPNHYYMPERRW-RYRKJORJSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734288572 1438018431 /nfs/dbraw/zinc/01/84/31/1438018431.db2.gz VPTUFZCUAUBGQF-YSIASYRMSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001734460088 1438117440 /nfs/dbraw/zinc/11/74/40/1438117440.db2.gz OEURNIYYNFAASZ-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)[C@@H]1C ZINC001734460618 1438117654 /nfs/dbraw/zinc/11/76/54/1438117654.db2.gz QQSVEMYWSZYCDJ-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734482340 1438127569 /nfs/dbraw/zinc/12/75/69/1438127569.db2.gz OBRDYLCOUIJWKI-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001734494744 1438131900 /nfs/dbraw/zinc/13/19/00/1438131900.db2.gz BYIXSONJXDACAQ-TYFAACHXSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001734547471 1438143417 /nfs/dbraw/zinc/14/34/17/1438143417.db2.gz KTEQVDVQHVUDGS-QZTJIDSGSA-N 2 0 325.541 3.074 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)C[NH+]1CCCC1 ZINC001734555072 1438154248 /nfs/dbraw/zinc/15/42/48/1438154248.db2.gz ZBLQJHLXXNEMAF-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001734632660 1438194068 /nfs/dbraw/zinc/19/40/68/1438194068.db2.gz OCYNESZSHFRYFB-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CCC(C)(C)C)C1 ZINC001750933130 1440114159 /nfs/dbraw/zinc/11/41/59/1440114159.db2.gz YVAXLUZCBFUOPB-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP Brc1ccsc1C[NH+]1CCC(C[NH2+]C2CC2)CC1 ZINC000053660301 214192923 /nfs/dbraw/zinc/19/29/23/214192923.db2.gz YEKBRTKGRFZXPK-UHFFFAOYSA-N 2 0 329.307 3.475 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CCCCc2ccccc2)CC1 ZINC000187005801 530052489 /nfs/dbraw/zinc/05/24/89/530052489.db2.gz YDENXESOMLKELW-OAQYLSRUSA-N 2 0 329.532 3.111 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H]2CCC[C@@H]21 ZINC000353432398 283138623 /nfs/dbraw/zinc/13/86/23/283138623.db2.gz BRFDELLZBVGYFZ-XLAORIBOSA-N 2 0 333.545 3.347 10 0 EGAERP COc1cccc(C[NH+]2CCC(c3c[nH]cn3)CC2)c1OC(F)F ZINC000371335743 242035529 /nfs/dbraw/zinc/03/55/29/242035529.db2.gz LQGAEONOZKCRBI-UHFFFAOYSA-N 2 0 337.370 3.399 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000081363186 217388357 /nfs/dbraw/zinc/38/83/57/217388357.db2.gz RCSBIPHRRZIKTF-LJQANCHMSA-N 2 0 343.515 3.086 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000268746466 252196678 /nfs/dbraw/zinc/19/66/78/252196678.db2.gz HUBNJVKMOBLGEZ-UTKZUKDTSA-N 3 0 327.516 3.113 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000268834071 252283704 /nfs/dbraw/zinc/28/37/04/252283704.db2.gz LGMWCZCUIBLQND-KKSFZXQISA-N 2 0 342.458 3.318 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000118772693 221180059 /nfs/dbraw/zinc/18/00/59/221180059.db2.gz LYHLFXLIVPYLEH-HNNXBMFYSA-N 2 0 343.471 3.099 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)OC(C)(C)C ZINC000352962575 141278569 /nfs/dbraw/zinc/27/85/69/141278569.db2.gz DCQWLMFRWQXSFU-FUHWJXTLSA-N 2 0 332.488 3.218 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CCC(=O)OC(C)(C)C ZINC000352962576 141278733 /nfs/dbraw/zinc/27/87/33/141278733.db2.gz DCQWLMFRWQXSFU-SJLPKXTDSA-N 2 0 332.488 3.218 10 0 EGAERP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000353461594 141301826 /nfs/dbraw/zinc/30/18/26/141301826.db2.gz MLHSYYADBNYZKM-KURKYZTESA-N 2 0 332.488 3.446 10 0 EGAERP CC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CCOC(C)(C)C1 ZINC000356238495 141325716 /nfs/dbraw/zinc/32/57/16/141325716.db2.gz MPFQSMNCRZNVNN-SFHVURJKSA-N 2 0 328.460 3.355 10 0 EGAERP C[C@@H](c1ccc(F)c(F)c1)N1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000171921356 144012840 /nfs/dbraw/zinc/01/28/40/144012840.db2.gz ZTYCLPSJFOETKR-RDJZCZTQSA-N 2 0 337.458 3.128 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCC[C@H]2Cc2cccc(F)c2)CC1 ZINC000191464006 153198191 /nfs/dbraw/zinc/19/81/91/153198191.db2.gz WDIOTLHIVCRUBR-NRFANRHFSA-N 2 0 347.522 3.249 10 0 EGAERP CC(C)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)cn1 ZINC000310831692 154145069 /nfs/dbraw/zinc/14/50/69/154145069.db2.gz LXJSWIJKOOAYNK-QHAWAJNXSA-N 2 0 338.499 3.464 10 0 EGAERP CCOC(=O)[C@H](CC(C)C)[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000337486063 154377150 /nfs/dbraw/zinc/37/71/50/154377150.db2.gz IEKMUGMAGPJOOB-WMZOPIPTSA-N 2 0 347.503 3.377 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000349079167 156345813 /nfs/dbraw/zinc/34/58/13/156345813.db2.gz IOUZRZFQLQZZSK-HXUWFJFHSA-N 2 0 343.515 3.163 10 0 EGAERP CCCN(C(=O)CC[C@H](C)[NH3+])[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000248887689 163043366 /nfs/dbraw/zinc/04/33/66/163043366.db2.gz VENSOCLBRHWLJY-PKOBYXMFSA-N 2 0 331.504 3.017 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCOCC2 ZINC000249016675 163051599 /nfs/dbraw/zinc/05/15/99/163051599.db2.gz PTRYSTZFFWGUDH-VQTJNVASSA-N 2 0 346.515 3.202 10 0 EGAERP OCC[C@@H]1CCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249037903 163051999 /nfs/dbraw/zinc/05/19/99/163051999.db2.gz TXDABKQBUXVBSV-FCMAGTKHSA-N 2 0 328.500 3.323 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CNCC[N@H+](CC)C(C)C)CC1 ZINC000343923566 164067162 /nfs/dbraw/zinc/06/71/62/164067162.db2.gz WJGLHCKZLQAHJJ-UHFFFAOYSA-N 2 0 346.563 3.039 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc2ccccc2n1 ZINC000344121925 164108460 /nfs/dbraw/zinc/10/84/60/164108460.db2.gz FIKBHKUKFRGYED-UHFFFAOYSA-N 2 0 343.434 3.456 10 0 EGAERP CCCn1cc(C[NH2+]CC2(N3CCOC(C)(C)C3)CCCCC2)cn1 ZINC000344410454 164171761 /nfs/dbraw/zinc/17/17/61/164171761.db2.gz PHSRIPUCWLESMX-UHFFFAOYSA-N 2 0 348.535 3.196 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000355762728 166300381 /nfs/dbraw/zinc/30/03/81/166300381.db2.gz DZUVUQNKERLAPX-UHFFFAOYSA-N 2 0 330.394 3.449 10 0 EGAERP CCCN(CC[NH+](CC)CC)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000359854264 167249767 /nfs/dbraw/zinc/24/97/67/167249767.db2.gz VENOBENOXCIZHA-UHFFFAOYSA-N 2 0 345.531 3.476 10 0 EGAERP CCCCCCNC(=O)CN1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000367230012 168196330 /nfs/dbraw/zinc/19/63/30/168196330.db2.gz HJFIBJHKNNRNNY-QGZVFWFLSA-N 2 0 346.519 3.095 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000123407650 222272828 /nfs/dbraw/zinc/27/28/28/222272828.db2.gz LNKPSNUFJLEIOI-SZMVWBNQSA-N 2 0 347.503 3.325 10 0 EGAERP CO[C@]1(C)C[C@@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346181826 274087091 /nfs/dbraw/zinc/08/70/91/274087091.db2.gz VBHCDXDVTCORID-IEBWSBKVSA-N 2 0 328.460 3.211 10 0 EGAERP c1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)n(-c2ccccc2)n1 ZINC000279080479 275302108 /nfs/dbraw/zinc/30/21/08/275302108.db2.gz HCORSPPVWNSTOQ-UHFFFAOYSA-N 2 0 347.466 3.274 10 0 EGAERP CC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)C)CC2)c2ccc(F)cc2C1 ZINC000184522854 277009580 /nfs/dbraw/zinc/00/95/80/277009580.db2.gz UZHSYCBLWOPBIU-FQEVSTJZSA-N 2 0 347.478 3.081 10 0 EGAERP Cc1nn(-c2ccccc2)cc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000134191764 307682861 /nfs/dbraw/zinc/68/28/61/307682861.db2.gz KXUBSRRINYGAKW-UHFFFAOYSA-N 2 0 338.499 3.489 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000293728547 308156677 /nfs/dbraw/zinc/15/66/77/308156677.db2.gz MVBLFTCBLWILSM-ZYHUDNBSSA-N 2 0 329.307 3.429 10 0 EGAERP C[C@@H]1C[C@@H](C[N@@H+]2CCO[C@H](c3cccc(C(F)(F)F)c3)C2)CC[NH2+]1 ZINC000414715129 309096918 /nfs/dbraw/zinc/09/69/18/309096918.db2.gz YEIAAXWJFKZKSR-KEYYUXOJSA-N 2 0 342.405 3.467 10 0 EGAERP CCCCC[N@@H+](Cc1ccc(F)cc1)C[C@H]1CCCN(C(=O)C[NH3+])C1 ZINC000414674387 309094970 /nfs/dbraw/zinc/09/49/70/309094970.db2.gz DVTODNRDGQYFQI-GOSISDBHSA-N 2 0 349.494 3.015 10 0 EGAERP Cc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c1C ZINC000297666637 308554714 /nfs/dbraw/zinc/55/47/14/308554714.db2.gz ZJGBDZAKNKXTBW-OAHLLOKOSA-N 2 0 336.439 3.458 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1OC ZINC000414809152 309102658 /nfs/dbraw/zinc/10/26/58/309102658.db2.gz GFXHBYHZHMCQBR-HUUCEWRRSA-N 2 0 328.456 3.444 10 0 EGAERP Cc1nn(Cc2ccccc2Cl)c(C)c1C[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414825998 309103963 /nfs/dbraw/zinc/10/39/63/309103963.db2.gz DNFUHXJCCVEILM-MRXNPFEDSA-N 2 0 346.906 3.291 10 0 EGAERP C[C@H]1CCC[C@H](C)C1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397564711 308904539 /nfs/dbraw/zinc/90/45/39/308904539.db2.gz UZRZPPZXBVGJJW-ROUUACIJSA-N 2 0 330.516 3.428 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400588638 308907717 /nfs/dbraw/zinc/90/77/17/308907717.db2.gz SWPKFSLFHALBPW-CVEARBPZSA-N 2 0 339.524 3.096 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CNc2ccc(C[NH3+])cc2)CC1 ZINC000414916012 309109045 /nfs/dbraw/zinc/10/90/45/309109045.db2.gz RUBLMJFAUMMGKD-UHFFFAOYSA-N 2 0 338.499 3.289 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)ccc1OCc1cccs1 ZINC000414947530 309110834 /nfs/dbraw/zinc/11/08/34/309110834.db2.gz WLFFNOCPRZVKNN-RHSMWYFYSA-N 2 0 346.496 3.423 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414954293 309111037 /nfs/dbraw/zinc/11/10/37/309111037.db2.gz KIVCXZDAWWIYKI-BXKDBHETSA-N 2 0 349.219 3.138 10 0 EGAERP c1c(C[NH2+]CCC[NH2+]C2CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000415068321 309118082 /nfs/dbraw/zinc/11/80/82/309118082.db2.gz MOFPLOXYFAFRMD-UHFFFAOYSA-N 2 0 339.487 3.292 10 0 EGAERP C[C@@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415075317 309118437 /nfs/dbraw/zinc/11/84/37/309118437.db2.gz BIHMTMHOUUYFSS-FXAWDEMLSA-N 2 0 326.488 3.332 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCCC[NH+]1CCC(C)CC1 ZINC000415898451 309146665 /nfs/dbraw/zinc/14/66/65/309146665.db2.gz HKZWHHLCRBXBBN-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000415941182 309150157 /nfs/dbraw/zinc/15/01/57/309150157.db2.gz FLKCSEGARQWVCS-HZPDHXFCSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000415957806 309151250 /nfs/dbraw/zinc/15/12/50/309151250.db2.gz PVISPDHJTANLEE-MRXNPFEDSA-N 2 0 332.492 3.038 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@H]([NH3+])c2ccccc2)cc1 ZINC000417816316 309223767 /nfs/dbraw/zinc/22/37/67/309223767.db2.gz PUHYMMHNQNCFFO-RDTXWAMCSA-N 2 0 325.456 3.049 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418443510 309246342 /nfs/dbraw/zinc/24/63/42/309246342.db2.gz AKGCDHYDPWHLEX-KRWDZBQOSA-N 2 0 348.535 3.216 10 0 EGAERP C[C@@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+](C)C ZINC000419751452 309271499 /nfs/dbraw/zinc/27/14/99/309271499.db2.gz URDVXQWKCMWMDG-INIZCTEOSA-N 2 0 341.503 3.348 10 0 EGAERP C[C@H](C[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1)C[NH+](C)C ZINC000419751453 309271558 /nfs/dbraw/zinc/27/15/58/309271558.db2.gz URDVXQWKCMWMDG-MRXNPFEDSA-N 2 0 341.503 3.348 10 0 EGAERP FC(F)(F)c1cccc([C@H]2C[N@H+](CC[C@@H]3CC[NH2+]C3)CCO2)c1 ZINC000420308117 309280878 /nfs/dbraw/zinc/28/08/78/309280878.db2.gz SAOUXZDXYKPMND-XJKSGUPXSA-N 2 0 328.378 3.078 10 0 EGAERP C[NH+]1CCN(c2cc(C[NH2+]C3CC4(C3)CCCCC4)ccn2)CC1 ZINC000421331537 309318641 /nfs/dbraw/zinc/31/86/41/309318641.db2.gz KBAOIJNVFFDPNB-UHFFFAOYSA-N 2 0 328.504 3.036 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000421342671 309319254 /nfs/dbraw/zinc/31/92/54/309319254.db2.gz OIGLJXZRZHDOQU-QRWLVFNGSA-N 2 0 342.487 3.243 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249115 309392154 /nfs/dbraw/zinc/39/21/54/309392154.db2.gz OGFGFBFNFVKBIS-QMTHXVAHSA-N 2 0 327.241 3.165 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744293 309366328 /nfs/dbraw/zinc/36/63/28/309366328.db2.gz JVKZSQFQDUKXBF-ICSRJNTNSA-N 2 0 327.472 3.017 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000422862388 309372630 /nfs/dbraw/zinc/37/26/30/309372630.db2.gz NRXCTJQRWUYHHB-ZDUSSCGKSA-N 2 0 344.425 3.176 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H](C2CC2)[C@@H]2C[NH2+]CCO2)cc1 ZINC000422921670 309376205 /nfs/dbraw/zinc/37/62/05/309376205.db2.gz OOMKFVXBMVBTNF-TYCQWZJGSA-N 2 0 343.515 3.240 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCCC[C@H]3C[NH3+])c2)C[C@@H](C)O1 ZINC000422953401 309377922 /nfs/dbraw/zinc/37/79/22/309377922.db2.gz FFQPGJLGMQUELV-ZTRFORPCSA-N 2 0 331.504 3.225 10 0 EGAERP C[C@H]1C[NH+](Cc2cccc(NC3CCC(C[NH3+])CC3)c2)C[C@H](C)O1 ZINC000422955744 309378157 /nfs/dbraw/zinc/37/81/57/309378157.db2.gz NFNYRHXAQKZONS-XNYRCJLNSA-N 2 0 331.504 3.225 10 0 EGAERP COc1cccc([C@@H]2[C@H]([NH2+][C@@H](C)CCCC[NH3+])CCN2C2CC2)c1 ZINC000423037408 309382375 /nfs/dbraw/zinc/38/23/75/309382375.db2.gz BMQXVURLQYBSGQ-CWFSZBLJSA-N 2 0 331.504 3.080 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CN(Cc2ccccc2)C[C@H]1C ZINC000423045226 309382875 /nfs/dbraw/zinc/38/28/75/309382875.db2.gz CPILCEMDVJTKDB-LDBYXDLTSA-N 2 0 338.499 3.020 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082316 309385003 /nfs/dbraw/zinc/38/50/03/309385003.db2.gz DDXHKISXMIRORD-AVRDEDQJSA-N 2 0 337.511 3.451 10 0 EGAERP Cc1cc(C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc(N2CCCC2)n1 ZINC000423120525 309386806 /nfs/dbraw/zinc/38/68/06/309386806.db2.gz HARSTDHIIZVRPB-OAHLLOKOSA-N 2 0 339.487 3.003 10 0 EGAERP COCC(C)(C)CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121035 309386924 /nfs/dbraw/zinc/38/69/24/309386924.db2.gz HUFFIXKLIKYAQL-PXNSSMCTSA-N 2 0 332.488 3.285 10 0 EGAERP Cc1ccc(C[C@H](CO)[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc1C ZINC000423158223 309388709 /nfs/dbraw/zinc/38/87/09/309388709.db2.gz CMJFLXGZMGKSLS-IVAOSVALSA-N 2 0 330.516 3.107 10 0 EGAERP COCCOc1ccc([C@H](C)[NH2+]C[C@@H](N)c2ccccc2)cc1OC ZINC000423233006 309391526 /nfs/dbraw/zinc/39/15/26/309391526.db2.gz DBRYLUWZLYKXLQ-MAUKXSAKSA-N 2 0 344.455 3.071 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@H](C)[NH2+]CC[C@H]2CCC[NH2+]C2)cc1 ZINC000423260346 309392789 /nfs/dbraw/zinc/39/27/89/309392789.db2.gz QCBVQGSHSDQHRS-JKSUJKDBSA-N 2 0 332.492 3.257 10 0 EGAERP COc1cccc2c1CC[C@H]2[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423529671 309405000 /nfs/dbraw/zinc/40/50/00/309405000.db2.gz QGPZNCHLTAQVDR-WWDNHLEVSA-N 2 0 326.484 3.426 10 0 EGAERP COc1ccc(CC[C@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cc1O ZINC000426353806 309504991 /nfs/dbraw/zinc/50/49/91/309504991.db2.gz QRRREKXOUWAMHR-ZLPCBKJTSA-N 2 0 334.504 3.432 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H](C)Cc3ccoc3)cc2)CC1 ZINC000449083352 310035613 /nfs/dbraw/zinc/03/56/13/310035613.db2.gz SZHNSEHTNQTITI-SFHVURJKSA-N 2 0 341.499 3.138 10 0 EGAERP C[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C[NH+]1CCCC1 ZINC000449086587 310036015 /nfs/dbraw/zinc/03/60/15/310036015.db2.gz CTENPTOORDHJMR-PMACEKPBSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](C[NH2+]Cc1cc(Cl)sc1Cl)CN1CC[NH+](C)CC1 ZINC000449130520 310039041 /nfs/dbraw/zinc/03/90/41/310039041.db2.gz GWUHSFIYLPUXHA-LLVKDONJSA-N 2 0 336.332 3.028 10 0 EGAERP CC[C@H](C)[C@@](C)(O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449136817 310039542 /nfs/dbraw/zinc/03/95/42/310039542.db2.gz CIYUQLOHRJGEQD-WFXMLNOXSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCCC[C@@H]2O)CC1 ZINC000449160358 310041252 /nfs/dbraw/zinc/04/12/52/310041252.db2.gz LRNSVYZLKWKNOH-QFUCXCTJSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@H]3CCO[C@@H]3C2(C)C)CC1 ZINC000449165190 310041533 /nfs/dbraw/zinc/04/15/33/310041533.db2.gz UMBPEVZFOTUAPM-OTNPHJDUSA-N 2 0 342.527 3.485 10 0 EGAERP CCC[C@@H](CCO)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449168440 310041824 /nfs/dbraw/zinc/04/18/24/310041824.db2.gz ASEROLGQWWCIHW-ICSRJNTNSA-N 2 0 332.532 3.470 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)CCCO)CC1 ZINC000449199111 310044026 /nfs/dbraw/zinc/04/40/26/310044026.db2.gz BBTBYKFKVTUMNX-GOSISDBHSA-N 2 0 332.532 3.470 10 0 EGAERP C[C@@H](CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[S@@](C)=O ZINC000449219168 310045406 /nfs/dbraw/zinc/04/54/06/310045406.db2.gz CLCYWIHTUJUBTH-OYHNWAKOSA-N 2 0 330.582 3.412 10 0 EGAERP C[C@H](CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[S@](C)=O ZINC000449219169 310045515 /nfs/dbraw/zinc/04/55/15/310045515.db2.gz CLCYWIHTUJUBTH-QRQCRPRQSA-N 2 0 330.582 3.412 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cc(Cl)sc1Cl ZINC000449251087 310047671 /nfs/dbraw/zinc/04/76/71/310047671.db2.gz QRTFUWIBKYGJER-NSHDSACASA-N 2 0 336.332 3.171 10 0 EGAERP CO[C@](C)(C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449334708 310054391 /nfs/dbraw/zinc/05/43/91/310054391.db2.gz GJXIPBMOKGHLAV-LAUBAEHRSA-N 2 0 330.516 3.487 10 0 EGAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000449853651 310090697 /nfs/dbraw/zinc/09/06/97/310090697.db2.gz WGAUWUQZIHNCGC-PMACEKPBSA-N 2 0 347.547 3.260 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561315 310130221 /nfs/dbraw/zinc/13/02/21/310130221.db2.gz HCICJNDNRWZBEG-NQIIRXRSSA-N 2 0 340.515 3.288 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000450744186 310140514 /nfs/dbraw/zinc/14/05/14/310140514.db2.gz LGKMUVQWZLPBKI-QGZVFWFLSA-N 2 0 343.506 3.161 10 0 EGAERP C[C@@H]([NH2+]CC1(CF)CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000453316405 310270700 /nfs/dbraw/zinc/27/07/00/310270700.db2.gz WJYHWZMNHDWADR-MRXNPFEDSA-N 2 0 338.467 3.044 10 0 EGAERP C[NH+]1CCC(C[NH2+]CCc2ccc(Cl)cc2)(N2CCCCC2)CC1 ZINC000459425833 310551825 /nfs/dbraw/zinc/55/18/25/310551825.db2.gz SLHFIPXGNWSEDC-UHFFFAOYSA-N 2 0 349.950 3.422 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cccc(N3CCOCC3)c2)CC1 ZINC000482504457 310933083 /nfs/dbraw/zinc/93/30/83/310933083.db2.gz DSBIKLCHMMMWRA-GOSISDBHSA-N 2 0 345.531 3.296 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCSC[C@H](C)C2)CC1 ZINC000488376149 311062769 /nfs/dbraw/zinc/06/27/69/311062769.db2.gz DLWOOTXFQIMNRF-GOSISDBHSA-N 2 0 347.572 3.404 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC(CC[NH+]3CCOCC3)CC2)cc1C ZINC000512450022 312186076 /nfs/dbraw/zinc/18/60/76/312186076.db2.gz NSOBEJMHLONZHD-UHFFFAOYSA-N 2 0 346.515 3.246 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC[C@@H]2CCCOC2)CC1 ZINC000527741085 312929642 /nfs/dbraw/zinc/92/96/42/312929642.db2.gz XVTAXFNGYQIBKF-IBGZPJMESA-N 2 0 345.531 3.125 10 0 EGAERP COc1ccc([C@H]([NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)C2CC2)cn1 ZINC000527841055 312955107 /nfs/dbraw/zinc/95/51/07/312955107.db2.gz MKLLQKKYZQHEQP-HXUWFJFHSA-N 2 0 349.438 3.220 10 0 EGAERP OCc1ccc(F)c(C[NH+]2CCC(CCC[NH+]3CCCC3)CC2)c1 ZINC000528417880 313088334 /nfs/dbraw/zinc/08/83/34/313088334.db2.gz AECVSCJTKFNVIX-UHFFFAOYSA-N 2 0 334.479 3.406 10 0 EGAERP CCOc1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)c(F)cc1OC ZINC000529525786 313342684 /nfs/dbraw/zinc/34/26/84/313342684.db2.gz BVEYGVVAYWYHSL-UHFFFAOYSA-N 2 0 338.467 3.397 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)COc2ccccc2O1 ZINC000530208609 313497038 /nfs/dbraw/zinc/49/70/38/313497038.db2.gz FXXQBWRVDNIIPI-VIPLHTEESA-N 2 0 330.472 3.117 10 0 EGAERP C[C@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000530224832 313500719 /nfs/dbraw/zinc/50/07/19/313500719.db2.gz MNQCZWQTLSJSKO-UVBJJODRSA-N 2 0 330.303 3.326 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824378 314147649 /nfs/dbraw/zinc/14/76/49/314147649.db2.gz BBXCXJFHHUOCPT-DBQGFPOUSA-N 2 0 341.543 3.359 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+]C3CC[NH+](CC4CC4)CC3)co2)cc1 ZINC000540409190 314378720 /nfs/dbraw/zinc/37/87/20/314378720.db2.gz ADQYAFJTFIPJBN-UHFFFAOYSA-N 2 0 343.446 3.487 10 0 EGAERP Cc1nccn1CCC[N@@H+](C)C[C@H](O)COc1ccccc1C(C)C ZINC000551898334 315176100 /nfs/dbraw/zinc/17/61/00/315176100.db2.gz BVQXQXMCXAGXPA-SFHVURJKSA-N 2 0 345.487 3.077 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2ccc(Br)cc2)[C@@H]2CCC[C@@H]21 ZINC000552043272 315192263 /nfs/dbraw/zinc/19/22/63/315192263.db2.gz FPOGKGCBFKNTAN-ULQDDVLXSA-N 2 0 337.305 3.454 10 0 EGAERP COCC[NH2+]C1CC[NH+](CCCc2cccc3ccccc32)CC1 ZINC000570974143 317134336 /nfs/dbraw/zinc/13/43/36/317134336.db2.gz MRAHISWUDMBVPR-UHFFFAOYSA-N 2 0 326.484 3.473 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000572632889 317367846 /nfs/dbraw/zinc/36/78/46/317367846.db2.gz YBFORRZWOUJKCW-RTBURBONSA-N 2 0 348.531 3.404 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(Br)c(F)c2)CC1 ZINC000227330231 456113094 /nfs/dbraw/zinc/11/30/94/456113094.db2.gz QXFJLPXJDRZEFQ-UHFFFAOYSA-N 2 0 329.257 3.410 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182830637 323578020 /nfs/dbraw/zinc/57/80/20/323578020.db2.gz ANXHGSAFLGNRMC-GOSISDBHSA-N 2 0 326.431 3.364 10 0 EGAERP C[C@H]([NH3+])[C@@H]1CC[N@@H+]([C@@H](C)Cc2ccc(Br)cc2F)C1 ZINC000241287482 455266674 /nfs/dbraw/zinc/26/66/74/455266674.db2.gz LLULCWNESNCMDO-GMXVVIOVSA-N 2 0 329.257 3.188 10 0 EGAERP COc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1OC1CC1 ZINC000623470166 460565523 /nfs/dbraw/zinc/56/55/23/460565523.db2.gz BOSFSUMDKXREQM-UHFFFAOYSA-N 2 0 332.488 3.446 10 0 EGAERP c1cncc(COc2ccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@H]43)cc2)c1 ZINC000631889247 460589269 /nfs/dbraw/zinc/58/92/69/460589269.db2.gz GIKXONZJSRPYHR-PZJWPPBQSA-N 2 0 337.467 3.235 10 0 EGAERP O[C@@H]1CCC[C@@H](C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245694751 455357628 /nfs/dbraw/zinc/35/76/28/455357628.db2.gz KVOBSRGMDJXRRA-YMQHIKHWSA-N 2 0 328.500 3.323 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)Nc2cc(C[NH+]3CCCC3)ccc2C)CC[N@@H+]1C ZINC000631947795 460601001 /nfs/dbraw/zinc/60/10/01/460601001.db2.gz MOINLBYUEBJLPG-PKOBYXMFSA-N 2 0 329.488 3.260 10 0 EGAERP CCn1c(C[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)nc2ccccc21 ZINC000067452618 453931996 /nfs/dbraw/zinc/93/19/96/453931996.db2.gz BVZAPLZFVRDXBW-CALCHBBNSA-N 2 0 344.503 3.035 10 0 EGAERP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC(OCC[NH+](C)C)CC2)c1C ZINC000072280918 454282242 /nfs/dbraw/zinc/28/22/42/454282242.db2.gz KEJHOGULCJZOAR-UHFFFAOYSA-N 2 0 346.515 3.357 10 0 EGAERP CC(C)[C@H](O)C(C)(C)C[NH2+]C1CC[NH+](CCc2ccccc2)CC1 ZINC000090811120 454342816 /nfs/dbraw/zinc/34/28/16/454342816.db2.gz FBOSRAONCCYIFL-FQEVSTJZSA-N 2 0 332.532 3.326 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000122647014 454556095 /nfs/dbraw/zinc/55/60/95/454556095.db2.gz INIFNQGZMQAJNA-GOSISDBHSA-N 3 0 347.547 3.400 10 0 EGAERP Cc1c([C@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1-c1ccccn1 ZINC000126490513 454898042 /nfs/dbraw/zinc/89/80/42/454898042.db2.gz YKANUMIKQBISCQ-MIGBEJBISA-N 2 0 339.487 3.242 10 0 EGAERP CC1CC[NH+]([C@H](CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c2ccccc2)CC1 ZINC000165727414 454903307 /nfs/dbraw/zinc/90/33/07/454903307.db2.gz DDTJFXDWMALJOV-SLFFLAALSA-N 2 0 343.515 3.093 10 0 EGAERP COC(=O)c1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)s1 ZINC000151011316 454925479 /nfs/dbraw/zinc/92/54/79/454925479.db2.gz OKKQNYHKRZOVFP-UHFFFAOYSA-N 2 0 336.501 3.151 10 0 EGAERP Cc1ccccc1C[N@H+]1CCCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC1 ZINC000114473523 454955662 /nfs/dbraw/zinc/95/56/62/454955662.db2.gz IIMDXXSILNUHLC-GOSISDBHSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](CCc1ccc(Cl)s1)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000128254063 455039868 /nfs/dbraw/zinc/03/98/68/455039868.db2.gz FAWQVQQGKZRBEK-OAHLLOKOSA-N 2 0 343.968 3.340 10 0 EGAERP Fc1ccc(-c2nc(C[NH2+]CCCC[NH+]3CCOCC3)cs2)cc1 ZINC000237696581 455208440 /nfs/dbraw/zinc/20/84/40/455208440.db2.gz GMCCMIAXHVRMMM-UHFFFAOYSA-N 2 0 349.475 3.151 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245639574 455345697 /nfs/dbraw/zinc/34/56/97/455345697.db2.gz ALJBVAXOOVHTPK-WOZUAGRISA-N 2 0 327.516 3.256 10 0 EGAERP Cc1cc(N2CC[C@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)nc(-c2ccncc2)n1 ZINC000246328775 455471952 /nfs/dbraw/zinc/47/19/52/455471952.db2.gz LACGCYKYHFKBRA-HKUYNNGSSA-N 2 0 349.482 3.300 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(F)c(F)c2)CC1 ZINC000192785084 455692132 /nfs/dbraw/zinc/69/21/32/455692132.db2.gz LNSBDXINGKFSCM-OAHLLOKOSA-N 2 0 325.447 3.032 10 0 EGAERP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)c1ccc(F)c(F)c1 ZINC000248439381 455715581 /nfs/dbraw/zinc/71/55/81/455715581.db2.gz IQOUCWUAHQKQIF-QFBILLFUSA-N 2 0 340.458 3.488 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271692895 455725126 /nfs/dbraw/zinc/72/51/26/455725126.db2.gz KPINZGCCIVOFKJ-UZLBHIALSA-N 2 0 333.495 3.140 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1cn(-c2ccc(Cl)cc2Cl)nn1 ZINC000270181005 455895530 /nfs/dbraw/zinc/89/55/30/455895530.db2.gz FPZBYMKSYLXMAX-UHFFFAOYSA-N 2 0 342.274 3.006 10 0 EGAERP CCC(CC)(CNC(=O)[C@@H]1CCC[C@@H]1C[NH3+])[NH2+][C@@H](C)c1ccccc1 ZINC000261860925 455960699 /nfs/dbraw/zinc/96/06/99/455960699.db2.gz WXOOLPCXLARZCL-QXAKKESOSA-N 2 0 345.531 3.387 10 0 EGAERP CCN(Cc1cc(Br)ccc1F)C[C@]1(C)CC[NH2+]C1 ZINC000261893654 455966549 /nfs/dbraw/zinc/96/65/49/455966549.db2.gz UNUGBWYOFBQYOF-OAHLLOKOSA-N 2 0 329.257 3.410 10 0 EGAERP C[C@]1(CN2CCC[C@@H](c3nc(C(F)(F)F)cs3)C2)CC[NH2+]C1 ZINC000261951916 455977794 /nfs/dbraw/zinc/97/77/94/455977794.db2.gz GBOUFJNMSRBUDJ-RISCZKNCSA-N 2 0 333.423 3.341 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000286304031 456020200 /nfs/dbraw/zinc/02/02/00/456020200.db2.gz ILNUOPCWBRVDNS-PBWFPOADSA-N 2 0 329.419 3.444 10 0 EGAERP [NH3+]Cc1cc(NC(=O)[C@@H]2C[C@H]3CCCC[C@@H]3[NH2+]2)cc(C(F)(F)F)c1 ZINC000263035811 456082727 /nfs/dbraw/zinc/08/27/27/456082727.db2.gz VBBFPGAOEGGURI-UGFHNGPFSA-N 2 0 341.377 3.023 10 0 EGAERP CC[C@@H]([NH2+]C1CCN(C)CC1)[C@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648665 456103804 /nfs/dbraw/zinc/10/38/04/456103804.db2.gz ISNYFQDBYHKOQW-IAGOWNOFSA-N 2 0 339.524 3.238 10 0 EGAERP c1ccc(C[NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)cc1 ZINC000236698347 456171769 /nfs/dbraw/zinc/17/17/69/456171769.db2.gz FSXSNHXSDIHLKG-UHFFFAOYSA-N 2 0 337.511 3.374 10 0 EGAERP Cc1cccc2c(N3CCC[C@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301651726 456174580 /nfs/dbraw/zinc/17/45/80/456174580.db2.gz GJMVQEYIJPBHCI-QGZVFWFLSA-N 2 0 325.456 3.092 10 0 EGAERP OC[C@@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCCC1 ZINC000290240269 456272968 /nfs/dbraw/zinc/27/29/68/456272968.db2.gz SOXGHUXQXZFDSG-PLACYPQZSA-N 2 0 328.500 3.323 10 0 EGAERP C[NH+]1CCC(N(Cc2cnn3ccccc23)Cc2ccccc2)CC1 ZINC000290337079 456296664 /nfs/dbraw/zinc/29/66/64/456296664.db2.gz FEKPPBLRYTXQSM-UHFFFAOYSA-N 2 0 334.467 3.431 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccccc1C[NH+]1CCC(C)CC1 ZINC000340517487 456503636 /nfs/dbraw/zinc/50/36/36/456503636.db2.gz QTPFYWIQMVSWBG-FQEVSTJZSA-N 2 0 341.503 3.078 10 0 EGAERP Clc1ccc2ncc(CN3CCCC[C@@H]([NH+]4CCCC4)C3)n2c1 ZINC000353139677 456515784 /nfs/dbraw/zinc/51/57/84/456515784.db2.gz NXMHAXANRQMWLJ-MRXNPFEDSA-N 2 0 332.879 3.438 10 0 EGAERP C[C@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319829 462477302 /nfs/dbraw/zinc/47/73/02/462477302.db2.gz JGXAOARRBXIUPD-QUCCMNQESA-N 2 0 338.499 3.164 10 0 EGAERP Cn1nnc2cc(CN3CCC[C@H](C[NH+]4CCCCCC4)C3)ccc21 ZINC000353283726 456609916 /nfs/dbraw/zinc/60/99/16/456609916.db2.gz BAIDQDMELUUZAX-GOSISDBHSA-N 2 0 341.503 3.056 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CCC[C@@H]3CCCF)cn2)CC1 ZINC000337991550 456641560 /nfs/dbraw/zinc/64/15/60/456641560.db2.gz XBZRBEAERASEPC-RTBURBONSA-N 2 0 348.510 3.232 10 0 EGAERP Clc1cc(CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)cc2c1OCCO2 ZINC000322112979 456644233 /nfs/dbraw/zinc/64/42/33/456644233.db2.gz PFVSOFPEFMCRIJ-GDBMZVCRSA-N 2 0 336.863 3.075 10 0 EGAERP COc1cc2cc[nH+]c(NC[C@H]3CC[N@@H+](C(C)C)C3)c2cc1OC ZINC000325993670 456689994 /nfs/dbraw/zinc/68/99/94/456689994.db2.gz LBUVZYXPFSAHHO-CQSZACIVSA-N 2 0 329.444 3.394 10 0 EGAERP C[N@@H+]1CCCC(C)(C)[C@@H]1CNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000344643732 456843562 /nfs/dbraw/zinc/84/35/62/456843562.db2.gz NJYWNJCOCMDMAO-IBGZPJMESA-N 2 0 343.515 3.133 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccc(-c2cc[nH]n2)o1)Cc1ccco1 ZINC000348813264 456867652 /nfs/dbraw/zinc/86/76/52/456867652.db2.gz GDPSLKHDJWLXKZ-UHFFFAOYSA-N 2 0 328.416 3.217 10 0 EGAERP CO[C@H](CC[NH2+][C@H]1CCN([C@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866371 456868139 /nfs/dbraw/zinc/86/81/39/456868139.db2.gz OFSSDRXVPYRRHJ-VNQPRFMTSA-N 2 0 330.394 3.379 10 0 EGAERP Cc1ccc(CCC[NH2+][C@H](C)c2ncc(Br)cn2)cn1 ZINC000353902536 456958280 /nfs/dbraw/zinc/95/82/80/456958280.db2.gz TZXDAUNANFCCLI-GFCCVEGCSA-N 2 0 335.249 3.226 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@@H](c1ccccc1)N(C)C ZINC000349601170 456994228 /nfs/dbraw/zinc/99/42/28/456994228.db2.gz RQPMAWCZUXDQFI-UTKZUKDTSA-N 2 0 349.482 3.357 10 0 EGAERP C/C(=C/c1cccc(C(F)(F)F)c1)C[NH2+]CC1(O)CC[NH+](C)CC1 ZINC000342164874 457145573 /nfs/dbraw/zinc/14/55/73/457145573.db2.gz NFESMQRWUOTXQA-UVTDQMKNSA-N 2 0 342.405 3.155 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000357222210 457382426 /nfs/dbraw/zinc/38/24/26/457382426.db2.gz PWNUVFBDWBZBAH-JZXOWHBKSA-N 2 0 349.544 3.122 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000356304596 457563066 /nfs/dbraw/zinc/56/30/66/457563066.db2.gz JGPTYQQTURTUNB-RTBURBONSA-N 2 0 345.531 3.123 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3nc(-c4cccs4)no3)CC[C@H]21 ZINC000361669305 457815657 /nfs/dbraw/zinc/81/56/57/457815657.db2.gz AHHVISZZASQLSJ-LSDHHAIUSA-N 2 0 346.500 3.147 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)C[C@H](C)O1 ZINC000361889984 457933681 /nfs/dbraw/zinc/93/36/81/457933681.db2.gz RZQAUBPIBRHZND-PXTPFGJHSA-N 2 0 338.536 3.061 10 0 EGAERP O=c1[nH]ccc2c1C[N@H+](Cc1cccc(C[NH+]3CCCCC3)c1)CC2 ZINC000411629897 457934117 /nfs/dbraw/zinc/93/41/17/457934117.db2.gz FZFLBXIEXFKETD-UHFFFAOYSA-N 2 0 337.467 3.331 10 0 EGAERP NC1(C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518962 458450064 /nfs/dbraw/zinc/45/00/64/458450064.db2.gz CVOCRPNTHMLEAK-WOJBJXKFSA-N 2 0 327.516 3.148 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+]CCC2=CC[NH2+]CC2)C3)cc1 ZINC000423536649 458454906 /nfs/dbraw/zinc/45/49/06/458454906.db2.gz IBIOWYWESXDUIP-WKCHPHFGSA-N 3 0 325.500 3.081 10 0 EGAERP C[C@@H]1C[C@@H](NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)C[N@@H+]1C1CC1 ZINC000373490623 458509208 /nfs/dbraw/zinc/50/92/08/458509208.db2.gz QPFZKVJOEBVASV-ZCYLDUCGSA-N 2 0 345.453 3.007 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000431572597 458590141 /nfs/dbraw/zinc/59/01/41/458590141.db2.gz XECZKFMBRLBSQH-DLBZAZTESA-N 2 0 349.544 3.266 10 0 EGAERP CCN(CCCNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431632310 458598309 /nfs/dbraw/zinc/59/83/09/458598309.db2.gz XBRPPSVMSBKMFS-GOSISDBHSA-N 2 0 331.504 3.284 10 0 EGAERP Cc1nc(C(F)(F)F)c(C[N@H+]2CC3(C[C@@H]2C)CC[NH2+]CC3)s1 ZINC000424286162 458603783 /nfs/dbraw/zinc/60/37/83/458603783.db2.gz HCYDHPFOKJFUAL-JTQLQIEISA-N 2 0 333.423 3.434 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC12CCCCC2 ZINC000462467684 458622434 /nfs/dbraw/zinc/62/24/34/458622434.db2.gz JYSBWWZLRHAVBO-KRWDZBQOSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000431896894 458643130 /nfs/dbraw/zinc/64/31/30/458643130.db2.gz VBOUZWLPPPAOHD-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1 ZINC000494881710 458760892 /nfs/dbraw/zinc/76/08/92/458760892.db2.gz WYWCABNYSLJTHJ-IBGZPJMESA-N 2 0 343.515 3.209 10 0 EGAERP Cc1cccc2c(NCCC[N@@H+]3CCCO[C@@H](C)C3)c(C)c[nH+]c12 ZINC000432875547 458805127 /nfs/dbraw/zinc/80/51/27/458805127.db2.gz XFGLTOVDYVRIDF-KRWDZBQOSA-N 2 0 327.472 3.186 10 0 EGAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682937 458959672 /nfs/dbraw/zinc/95/96/72/458959672.db2.gz KLINKZLOOSXYJR-IIMDRIAPSA-N 2 0 329.532 3.204 10 0 EGAERP Cc1ccc([C@@H](C)[N@H+](C)CC(=O)NC2CC[NH+](C3CC3)CC2)c(C)c1 ZINC000519940970 459024343 /nfs/dbraw/zinc/02/43/43/459024343.db2.gz ICFGJEQEWOQFQK-QGZVFWFLSA-N 2 0 343.515 3.039 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+](C)[C@H]2CCC[C@H]21)C1CC1 ZINC000556890675 459028346 /nfs/dbraw/zinc/02/83/46/459028346.db2.gz VCZZXIGKBOMGEK-LNRXMEIDSA-N 2 0 341.543 3.359 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](CC)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000520174614 459036030 /nfs/dbraw/zinc/03/60/30/459036030.db2.gz RBQBJVPKRMXXGN-FQEVSTJZSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000532232519 459050910 /nfs/dbraw/zinc/05/09/10/459050910.db2.gz KVYSUWLNHOXGQP-UTKZUKDTSA-N 2 0 342.527 3.149 10 0 EGAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514660 459103727 /nfs/dbraw/zinc/10/37/27/459103727.db2.gz MTLAZMIZKIKUSG-BEFAXECRSA-N 2 0 335.923 3.092 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595055075 459229084 /nfs/dbraw/zinc/22/90/84/459229084.db2.gz QUOMBPSBIMGOAY-PKOBYXMFSA-N 2 0 346.515 3.466 10 0 EGAERP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000481048327 459229483 /nfs/dbraw/zinc/22/94/83/459229483.db2.gz LPCSAANOQABQKD-WOSRLPQWSA-N 2 0 325.294 3.310 10 0 EGAERP O=C(CC[N@@H+]1CC[C@@]2(C1)CCC[NH2+]C2)Nc1cccc2ccccc21 ZINC000583025426 459469123 /nfs/dbraw/zinc/46/91/23/459469123.db2.gz ZZXMHTPTMGSHQD-NRFANRHFSA-N 2 0 337.467 3.244 10 0 EGAERP C[C@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cn2ccccc2n1 ZINC000583035924 459471778 /nfs/dbraw/zinc/47/17/78/459471778.db2.gz YBMHWBSAPYEKPW-INIZCTEOSA-N 2 0 335.455 3.297 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CCO[C@H](C(C)C)C1 ZINC000583184602 459496040 /nfs/dbraw/zinc/49/60/40/459496040.db2.gz MQWRJJKUQUYGGC-LPHOPBHVSA-N 2 0 328.460 3.117 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000525833916 459501918 /nfs/dbraw/zinc/50/19/18/459501918.db2.gz UAXYHDOOULUOJM-UHFFFAOYSA-N 2 0 340.515 3.484 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](C)Cc1ccc(O)cc1 ZINC000542466768 459559778 /nfs/dbraw/zinc/55/97/78/459559778.db2.gz IUODJISESBDINL-HNNXBMFYSA-N 2 0 336.439 3.344 10 0 EGAERP Cc1cc2ncn(C[C@H](O)C[NH2+]CCCC(C)(F)F)c2cc1C ZINC000572870249 459589226 /nfs/dbraw/zinc/58/92/26/459589226.db2.gz IFJSDLFGWUMXHO-CQSZACIVSA-N 2 0 325.403 3.039 10 0 EGAERP COC1(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)CCC(C)CC1 ZINC000527240161 459614703 /nfs/dbraw/zinc/61/47/03/459614703.db2.gz HVCLSGXLUDXDKS-UHFFFAOYSA-N 2 0 328.460 3.261 10 0 EGAERP CCOc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)cc(Cl)c1OC ZINC000583934680 459621423 /nfs/dbraw/zinc/62/14/23/459621423.db2.gz QONMZMLUKKVENP-GOSISDBHSA-N 2 0 338.879 3.323 10 0 EGAERP O[C@H]1CCCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000584172638 459672895 /nfs/dbraw/zinc/67/28/95/459672895.db2.gz YSQJXTUGSUDMMU-AQNXPRMDSA-N 2 0 328.500 3.324 10 0 EGAERP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)cc1 ZINC000562987343 459687494 /nfs/dbraw/zinc/68/74/94/459687494.db2.gz HKJQYKQPWJZJJC-SLFFLAALSA-N 2 0 348.531 3.082 10 0 EGAERP CN(c1ccccc1C[NH2+]CC[C@H]1CCCOC1)C1CC[NH+](C)CC1 ZINC000527739363 459720024 /nfs/dbraw/zinc/72/00/24/459720024.db2.gz MQESTIHNHHBEDD-GOSISDBHSA-N 2 0 345.531 3.123 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000584409322 459730621 /nfs/dbraw/zinc/73/06/21/459730621.db2.gz BRSHGXKKXBRVBF-WOJBJXKFSA-N 2 0 327.516 3.115 10 0 EGAERP C[C@H]1C[C@H]([N@H+](C)CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000625222654 460078108 /nfs/dbraw/zinc/07/81/08/460078108.db2.gz OQWQOCFIGDVBPI-AZUAARDMSA-N 2 0 346.515 3.167 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983004 460115467 /nfs/dbraw/zinc/11/54/67/460115467.db2.gz WYHYDPRWOGFNOT-JKSUJKDBSA-N 2 0 326.525 3.453 10 0 EGAERP CC[C@@H]1c2ccccc2CC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000603968496 460365703 /nfs/dbraw/zinc/36/57/03/460365703.db2.gz XATBXPLCXSJRKY-RBBKRZOGSA-N 2 0 338.495 3.489 10 0 EGAERP CC[C@H]1c2ccccc2CC[N@H+]1C[C@@H](O)CN(C)Cc1ccccc1 ZINC000603968498 460366066 /nfs/dbraw/zinc/36/60/66/460366066.db2.gz XATBXPLCXSJRKY-UNMCSNQZSA-N 2 0 338.495 3.489 10 0 EGAERP F[C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)[C@@H]1CC[NH2+]C1 ZINC000634553716 460417646 /nfs/dbraw/zinc/41/76/46/460417646.db2.gz FRTSNFISVQFZLA-IAGOWNOFSA-N 2 0 344.434 3.343 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]CC(C)(C)C2)cc(Cl)c1OC ZINC000634733213 460498514 /nfs/dbraw/zinc/49/85/14/460498514.db2.gz ZTQVSDLIABZPEP-ZDUSSCGKSA-N 2 0 326.868 3.225 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1csc(-c2csc(C)n2)c1 ZINC000629528964 460797059 /nfs/dbraw/zinc/79/70/59/460797059.db2.gz OBELQYRQRHEPJX-NSHDSACASA-N 2 0 325.503 3.067 10 0 EGAERP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1)CCC2 ZINC000629550031 460803839 /nfs/dbraw/zinc/80/38/39/460803839.db2.gz WWXOWCJMHHYPDA-CADBVGFASA-N 2 0 334.891 3.464 10 0 EGAERP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000629550030 460804006 /nfs/dbraw/zinc/80/40/06/460804006.db2.gz WWXOWCJMHHYPDA-AKHDSKFASA-N 2 0 334.891 3.464 10 0 EGAERP CC[C@H](c1ccc(Br)cc1)[N@H+](C)CCOCC[NH2+]C ZINC000629572208 460812712 /nfs/dbraw/zinc/81/27/12/460812712.db2.gz XXGTVVUBAIMDCG-OAHLLOKOSA-N 2 0 329.282 3.068 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)Cc1ccc(-c2ccccc2)cc1OC ZINC000629653176 460846951 /nfs/dbraw/zinc/84/69/51/460846951.db2.gz HNNDXGTXJUUMRM-UHFFFAOYSA-N 2 0 328.456 3.030 10 0 EGAERP C[C@H]([NH2+][C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CC[NH+](C)CC1 ZINC000624078765 460849768 /nfs/dbraw/zinc/84/97/68/460849768.db2.gz TXFMSATYACHNLY-XGWLTEMNSA-N 2 0 342.405 3.241 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629665602 460855497 /nfs/dbraw/zinc/85/54/97/460855497.db2.gz NREQHQZUJMRUHU-OYRHEFFESA-N 2 0 329.532 3.076 10 0 EGAERP C[N@H+](CCCO)C1CC[NH+](CCCCc2cccc(Cl)c2)CC1 ZINC000621258058 460964169 /nfs/dbraw/zinc/96/41/69/460964169.db2.gz WHWDVRCXCKYUTM-UHFFFAOYSA-N 2 0 338.923 3.441 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@H](C(F)F)C2CCCCC2)CC1 ZINC000621402123 461022798 /nfs/dbraw/zinc/02/27/98/461022798.db2.gz UCYGJUDXZUYXQG-KRWDZBQOSA-N 2 0 331.495 3.206 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(OC)c(OC3CC3)c2)[C@@H](C)C1 ZINC000628182661 461035674 /nfs/dbraw/zinc/03/56/74/461035674.db2.gz CPROKZJPSDQRKG-YJBOKZPZSA-N 2 0 332.488 3.399 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@@H](c2ccc(F)cc2)O1 ZINC000662254999 461143222 /nfs/dbraw/zinc/14/32/22/461143222.db2.gz CKMRFRMBMLLQOS-VFNWGFHPSA-N 2 0 340.442 3.433 10 0 EGAERP c1cc(CN2CCC[C@@H](C[NH+]3CCCCCC3)C2)c2c(c1)C[NH2+]CC2 ZINC000662260765 461146923 /nfs/dbraw/zinc/14/69/23/461146923.db2.gz CFAHHVFCWHCCAP-IBGZPJMESA-N 2 0 341.543 3.420 10 0 EGAERP Cc1ccccc1OCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652363036 461157795 /nfs/dbraw/zinc/15/77/95/461157795.db2.gz VZMDAJWVHHHSJC-QWFCFKBJSA-N 2 0 332.488 3.125 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(-n2cccn2)c1 ZINC000662284704 461165100 /nfs/dbraw/zinc/16/51/00/461165100.db2.gz ZLUIPBAXYUWZKD-MRXNPFEDSA-N 2 0 332.451 3.369 10 0 EGAERP COc1cccc(SCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662296402 461175181 /nfs/dbraw/zinc/17/51/81/461175181.db2.gz ZOLHVZUBVMWHSD-KRWDZBQOSA-N 2 0 334.529 3.499 10 0 EGAERP C[NH+](C)CC[C@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C(C)(C)C ZINC000659292435 461278475 /nfs/dbraw/zinc/27/84/75/461278475.db2.gz PKDCYIYOUXTVGB-MJGOQNOKSA-N 2 0 345.531 3.161 10 0 EGAERP O=C(C[C@@H]1[NH2+]Cc2ccccc21)Nc1cccc(CC[NH+]2CCCC2)c1 ZINC000659321519 461292924 /nfs/dbraw/zinc/29/29/24/461292924.db2.gz WBARLCMZVWXERQ-NRFANRHFSA-N 2 0 349.478 3.498 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CO[C@@H](C4CC4)C3)C3(CCC3)C2)cc1 ZINC000668713325 461391982 /nfs/dbraw/zinc/39/19/82/461391982.db2.gz MQESQTKLGUAKAU-PWRODBHTSA-N 2 0 340.511 3.446 10 0 EGAERP Cn1ccc([C@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccc(Cl)cc2)n1 ZINC000655805481 461465455 /nfs/dbraw/zinc/46/54/55/461465455.db2.gz OGRZELBOKHGRGV-RPVQJOFSSA-N 2 0 332.879 3.093 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000655806030 461465781 /nfs/dbraw/zinc/46/57/81/461465781.db2.gz XDKYXLROMFKKRH-VNXMGFANSA-N 3 0 341.543 3.217 10 0 EGAERP Cc1ccccc1-n1cc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cn1 ZINC000647196312 461559399 /nfs/dbraw/zinc/55/93/99/461559399.db2.gz XHSRDXHSJLIGDE-UHFFFAOYSA-N 2 0 326.488 3.391 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1oc2ccccc2c1Cl ZINC000631113760 461562458 /nfs/dbraw/zinc/56/24/58/461562458.db2.gz LESXFPDEEOEQRQ-CQSZACIVSA-N 2 0 335.879 3.202 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@H]2Sc3ccccc3NC2=O)[C@@H](C)C1 ZINC000660080826 461573361 /nfs/dbraw/zinc/57/33/61/461573361.db2.gz AZCNGBYYJQGBDE-QILLFSRXSA-N 2 0 347.528 3.152 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@@H]2CCC[C@@H]21 ZINC000647321368 461631738 /nfs/dbraw/zinc/63/17/38/461631738.db2.gz LEOFTZQCLZVPPJ-QZWWFDLISA-N 2 0 332.513 3.392 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000647344752 461647211 /nfs/dbraw/zinc/64/72/11/461647211.db2.gz YMPKJINWQNQZKE-LZQZEXGQSA-N 2 0 340.467 3.397 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000647343185 461647603 /nfs/dbraw/zinc/64/76/03/461647603.db2.gz HFWWVZVMNXYTTA-BDXSIMOUSA-N 2 0 326.525 3.059 10 0 EGAERP CCC[C@H](C[NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000663503776 461676171 /nfs/dbraw/zinc/67/61/71/461676171.db2.gz MDRCBKROJQMHBA-LJQANCHMSA-N 2 0 345.531 3.151 10 0 EGAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@@H](CC2CC2)c2ccccc2)CC1 ZINC000663598549 461720832 /nfs/dbraw/zinc/72/08/32/461720832.db2.gz VBJYZVVKKATRQT-FQEVSTJZSA-N 2 0 343.515 3.106 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCCO2)cc1 ZINC000656402404 461734128 /nfs/dbraw/zinc/73/41/28/461734128.db2.gz FYDOOAHZTSFSQQ-POHUPDAJSA-N 2 0 340.511 3.398 10 0 EGAERP CC(C)(C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000643466584 461736521 /nfs/dbraw/zinc/73/65/21/461736521.db2.gz CZSIIIYYOXNKRF-QFUCXCTJSA-N 2 0 344.499 3.427 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc23)[C@H](C)C1 ZINC000653619961 461765832 /nfs/dbraw/zinc/76/58/32/461765832.db2.gz JYGILSFFHTXCJA-AEFFLSMTSA-N 2 0 345.487 3.097 10 0 EGAERP c1c(C[NH2+][C@@H]2CCC[NH2+]CC2)c(-c2ccccn2)nn1C1CCCC1 ZINC000666857803 461838747 /nfs/dbraw/zinc/83/87/47/461838747.db2.gz JRZHMNOHZRWOLE-QGZVFWFLSA-N 2 0 339.487 3.292 10 0 EGAERP C[N@H+](CCc1ccc2c(c1)OC(F)(F)O2)C1C[C@H]2CC[C@@H](C1)[NH+]2C ZINC000660542510 461843161 /nfs/dbraw/zinc/84/31/61/461843161.db2.gz SDQIXIZXTXYNCS-YIONKMFJSA-N 2 0 338.398 3.108 10 0 EGAERP CC1CCC(N(C(=O)CN2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)C2CC2)CC1 ZINC000647901000 461876749 /nfs/dbraw/zinc/87/67/49/461876749.db2.gz INNSGRSDNUYPEL-CBJHCWRLSA-N 2 0 347.547 3.020 10 0 EGAERP COc1cc2c(c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)O[C@@H](C)C2 ZINC000656785502 461895126 /nfs/dbraw/zinc/89/51/26/461895126.db2.gz KXKNDZXSGJXQRL-DOTOQJQBSA-N 2 0 344.499 3.230 10 0 EGAERP C[C@@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713309 461906472 /nfs/dbraw/zinc/90/64/72/461906472.db2.gz NQDJXUUIFVWESB-LBPRGKRZSA-N 2 0 343.393 3.141 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2cc3ccccc3nc2N2CCCCC2)CC1 ZINC000650713672 461906766 /nfs/dbraw/zinc/90/67/66/461906766.db2.gz ZNPYKDYCDUVXMG-UHFFFAOYSA-N 2 0 338.499 3.444 10 0 EGAERP Cc1cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc2cccnc12 ZINC000650723515 461916787 /nfs/dbraw/zinc/91/67/87/461916787.db2.gz PMTPGQLSJMLUIM-AQNXPRMDSA-N 2 0 339.483 3.404 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000650757976 461938449 /nfs/dbraw/zinc/93/84/49/461938449.db2.gz FWLMNWFNOUBHKH-CQSZACIVSA-N 2 0 337.467 3.487 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(N2CCOCC2)c1 ZINC000650758026 461938534 /nfs/dbraw/zinc/93/85/34/461938534.db2.gz HEPCKJJLBBQICD-KRWDZBQOSA-N 2 0 339.483 3.093 10 0 EGAERP Cc1ccc2[nH+]ccc(NCc3ccc(C[N@@H+]4CC[C@H](O)C4)cc3)c2c1 ZINC000664238110 461993025 /nfs/dbraw/zinc/99/30/25/461993025.db2.gz WFQMDBDQCBUYBO-IBGZPJMESA-N 2 0 347.462 3.144 10 0 EGAERP C[C@@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347981 462062049 /nfs/dbraw/zinc/06/20/49/462062049.db2.gz INOALSOEDIDRFV-PKOBYXMFSA-N 2 0 347.466 3.192 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657347977 462063054 /nfs/dbraw/zinc/06/30/54/462063054.db2.gz INOALSOEDIDRFV-IEBWSBKVSA-N 2 0 347.466 3.192 10 0 EGAERP C[C@H](C[C@@H]1CCOC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648479105 462138721 /nfs/dbraw/zinc/13/87/21/462138721.db2.gz VWWATGMNTQVZLO-HBFSDRIKSA-N 2 0 330.516 3.487 10 0 EGAERP CC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000657463581 462139403 /nfs/dbraw/zinc/13/94/03/462139403.db2.gz OSXFTSOCBBIBJY-JKHFOPOESA-N 2 0 335.536 3.019 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1nc(-c2ccccc2)cs1 ZINC000657572877 462186694 /nfs/dbraw/zinc/18/66/94/462186694.db2.gz FDWUULJQZUFLPG-INIZCTEOSA-N 2 0 346.544 3.172 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4[nH]ccc4c3)cc2)C1 ZINC000657594856 462196085 /nfs/dbraw/zinc/19/60/85/462196085.db2.gz DOWQKHWEDJKKRD-HXUWFJFHSA-N 2 0 335.451 3.024 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3coc4ccccc34)cc2)C1 ZINC000657594876 462196638 /nfs/dbraw/zinc/19/66/38/462196638.db2.gz DZOIUNRGINJSGJ-LJQANCHMSA-N 2 0 336.435 3.289 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)C1 ZINC000657594622 462197900 /nfs/dbraw/zinc/19/79/00/462197900.db2.gz CIBPFXZDLNPZAJ-ZLGUVYLKSA-N 2 0 328.500 3.335 10 0 EGAERP Cc1c(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cnn1C ZINC000657772380 462259860 /nfs/dbraw/zinc/25/98/60/462259860.db2.gz MKRLMMHWPKKZKD-HXUWFJFHSA-N 2 0 338.499 3.120 10 0 EGAERP Cc1ncc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)n1C ZINC000657773570 462261928 /nfs/dbraw/zinc/26/19/28/462261928.db2.gz SIFZNRKDSFBCOQ-IBGZPJMESA-N 2 0 338.499 3.120 10 0 EGAERP c1nnn(-c2ccccc2)c1C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000651669644 462297623 /nfs/dbraw/zinc/29/76/23/462297623.db2.gz DABYBSKFHHEZSG-UHFFFAOYSA-N 2 0 347.466 3.153 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]C1CC[NH+](CC2CCCC2)CC1 ZINC000657859956 462300760 /nfs/dbraw/zinc/30/07/60/462300760.db2.gz ZRIPLVNINHETTH-HXUWFJFHSA-N 2 0 338.536 3.062 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)C(C)(C)C(F)F ZINC000657872869 462304115 /nfs/dbraw/zinc/30/41/15/462304115.db2.gz JBLZRLISBPJCJQ-AWEZNQCLSA-N 2 0 340.458 3.413 10 0 EGAERP CC[C@@]1(C)CCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651728167 462317781 /nfs/dbraw/zinc/31/77/81/462317781.db2.gz NFCBXWLHXRREJO-PXNSSMCTSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@]1(C)CCC[C@@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752580 462325728 /nfs/dbraw/zinc/32/57/28/462325728.db2.gz LQFBKLGQUVXRLS-ICSRJNTNSA-N 2 0 331.504 3.036 10 0 EGAERP Cc1ccc(C[NH2+]CCC[N@@H+](C)CC(C)C)c(-c2cnn(C)c2)c1 ZINC000651864827 462360244 /nfs/dbraw/zinc/36/02/44/462360244.db2.gz GBRZKLYOASWLKO-UHFFFAOYSA-N 2 0 328.504 3.463 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057169 462362047 /nfs/dbraw/zinc/36/20/47/462362047.db2.gz NODVTNJUFBGGDQ-SJLPKXTDSA-N 2 0 333.520 3.150 10 0 EGAERP Cc1nc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C)s1 ZINC000658066708 462364360 /nfs/dbraw/zinc/36/43/60/462364360.db2.gz DAUJHFYSVWBWSH-ZDUSSCGKSA-N 2 0 337.533 3.302 10 0 EGAERP CCC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC000658069259 462365841 /nfs/dbraw/zinc/36/58/41/462365841.db2.gz DZNKUYYUQGETKL-HXUWFJFHSA-N 2 0 331.504 3.403 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccncc1Cl ZINC000658069500 462366722 /nfs/dbraw/zinc/36/67/22/462366722.db2.gz GBKUSDYUECULBQ-AWEZNQCLSA-N 2 0 337.895 3.277 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc2cnccc2o1 ZINC000658071075 462367682 /nfs/dbraw/zinc/36/76/82/462367682.db2.gz SSRVIIYGXYUFAO-OAHLLOKOSA-N 2 0 343.471 3.369 10 0 EGAERP COC[C@@H](CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000658083499 462377191 /nfs/dbraw/zinc/37/71/91/462377191.db2.gz RCWLYISZCFRWFV-SOAGJPPSSA-N 2 0 334.504 3.071 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000658093647 462379647 /nfs/dbraw/zinc/37/96/47/462379647.db2.gz CLORBDYNWJTILZ-VDGAXYAQSA-N 2 0 338.536 3.061 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2C)CC1)C1CCOCC1 ZINC000658093638 462379679 /nfs/dbraw/zinc/37/96/79/462379679.db2.gz CLORBDYNWJTILZ-FFZOFVMBSA-N 2 0 338.536 3.061 10 0 EGAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277268 462381545 /nfs/dbraw/zinc/38/15/45/462381545.db2.gz XWUWDBWZBWHBRH-JBACZVJFSA-N 2 0 341.543 3.409 10 0 EGAERP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCC[NH2+]1 ZINC000665277265 462381981 /nfs/dbraw/zinc/38/19/81/462381981.db2.gz XWUWDBWZBWHBRH-GIVPXCGWSA-N 2 0 341.543 3.409 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000658136396 462400651 /nfs/dbraw/zinc/40/06/51/462400651.db2.gz HBSBNLUINTWGHP-JXFKEZNVSA-N 2 0 339.483 3.116 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cn1 ZINC000658138864 462403104 /nfs/dbraw/zinc/40/31/04/462403104.db2.gz OQDGDCQCJSSKSH-RDTXWAMCSA-N 2 0 345.874 3.152 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCO[C@@H]2CC2(F)F)CC1 ZINC000658169599 462418299 /nfs/dbraw/zinc/41/82/99/462418299.db2.gz HJMNJBOXIMAUOM-MAUKXSAKSA-N 2 0 338.442 3.096 10 0 EGAERP CN(c1ccccc1C[N@@H+]1CC[C@]2(CC2(F)F)C1)C1CC[NH+](C)CC1 ZINC000652063710 462422562 /nfs/dbraw/zinc/42/25/62/462422562.db2.gz SQBTZSXBXXELIZ-IBGZPJMESA-N 2 0 349.469 3.448 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CCCOCC3)C3(CCC3)C2)cc1 ZINC000658319512 462475446 /nfs/dbraw/zinc/47/54/46/462475446.db2.gz DQPXJZBNCAPXPH-VQTJNVASSA-N 2 0 328.500 3.447 10 0 EGAERP Cc1ccc(SCC[N@@H+]2CCOC3(CC[NH+](C)CC3)C2)cc1C ZINC000646106205 462518895 /nfs/dbraw/zinc/51/88/95/462518895.db2.gz RXLMQJJDYLWYQG-UHFFFAOYSA-N 2 0 334.529 3.192 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183675667 528970427 /nfs/dbraw/zinc/97/04/27/528970427.db2.gz LPJWDMPYIWIQSJ-MRXNPFEDSA-N 2 0 348.487 3.011 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000130483823 529143396 /nfs/dbraw/zinc/14/33/96/529143396.db2.gz HFNOPCVMNUXISO-LEWJYISDSA-N 2 0 329.532 3.330 10 0 EGAERP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@H]1CC[NH+](CC)C[C@@H]1C ZINC000246972473 535517406 /nfs/dbraw/zinc/51/74/06/535517406.db2.gz OPMQCNUBUFDGFL-WMZOPIPTSA-N 2 0 347.503 3.076 10 0 EGAERP COc1cc2cc[nH+]c(N[C@@H]3CC[N@@H+]4CCC[C@H]4C3)c2cc1OC ZINC000392426812 547832607 /nfs/dbraw/zinc/83/26/07/547832607.db2.gz WYZCINONKJSYNO-CABCVRRESA-N 2 0 327.428 3.291 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCC[C@@H]21 ZINC000671743360 548349878 /nfs/dbraw/zinc/34/98/78/548349878.db2.gz SDFFIWCQRQCOFM-QHERXFFYSA-N 2 0 349.469 3.254 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCN(C)[C@H]1c1cccs1)C1CC[NH+](C)CC1 ZINC000675902656 549001628 /nfs/dbraw/zinc/00/16/28/549001628.db2.gz XNKDSJXIXQALPX-VDZJLULYSA-N 2 0 335.561 3.451 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@H]2CCN(C)[C@@H]2c2ccc(F)c(F)c2)CC1 ZINC000678774116 549558647 /nfs/dbraw/zinc/55/86/47/549558647.db2.gz DUHBKNDKEFTBJT-RBUKOAKNSA-N 2 0 337.458 3.174 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1F ZINC000679357788 549695107 /nfs/dbraw/zinc/69/51/07/549695107.db2.gz BCWRAGUAVCAGGF-VQIMIIECSA-N 2 0 333.495 3.397 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C ZINC000681303070 549980191 /nfs/dbraw/zinc/98/01/91/549980191.db2.gz YHYSOIPYEZIPLY-MSOLQXFVSA-N 2 0 345.531 3.276 10 0 EGAERP C[NH2+]CC1CC[NH+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000063159105 1292002275 /nfs/dbraw/zinc/00/22/75/1292002275.db2.gz VYWAWIBPZYGDGJ-UHFFFAOYSA-N 2 0 336.277 3.362 10 0 EGAERP C[NH+]1CCC(N2CCC([NH2+]Cc3ccc(F)cc3Cl)CC2)CC1 ZINC000135990404 1293806359 /nfs/dbraw/zinc/80/63/59/1293806359.db2.gz HJDNVKGIHTVQJK-UHFFFAOYSA-N 2 0 339.886 3.127 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000870990765 1296168750 /nfs/dbraw/zinc/16/87/50/1296168750.db2.gz BHVNWJUZIVLSIJ-XLIONFOSSA-N 2 0 337.552 3.288 10 0 EGAERP C[NH+](C)CCC[NH2+][C@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872016854 1296657194 /nfs/dbraw/zinc/65/71/94/1296657194.db2.gz PMBOPOFHPSPLBM-GOEBONIOSA-N 2 0 341.293 3.068 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)C[C@@H](C)O1 ZINC000872044533 1296694274 /nfs/dbraw/zinc/69/42/74/1296694274.db2.gz BZJNMNRUPMTYJG-BRSBDYLESA-N 2 0 326.525 3.059 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000872068561 1296714994 /nfs/dbraw/zinc/71/49/94/1296714994.db2.gz IBUFRXIBSVIUJT-RXVVDRJESA-N 2 0 346.515 3.454 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCOC1 ZINC000872068556 1296715175 /nfs/dbraw/zinc/71/51/75/1296715175.db2.gz IBUFRXIBSVIUJT-GHTZIAJQSA-N 2 0 346.515 3.454 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CC2(OC(C)C)CCC2)[C@H](C)C1 ZINC000872117574 1296743627 /nfs/dbraw/zinc/74/36/27/1296743627.db2.gz SOUSRGGDIRTYHF-QZTJIDSGSA-N 2 0 326.525 3.061 10 0 EGAERP CC[C@@]1(C[NH2+][C@@H]2CCC[N@H+](C)CC2)CCCN1C(=O)OC(C)(C)C ZINC000383983102 1297576081 /nfs/dbraw/zinc/57/60/81/1297576081.db2.gz KKQVLGICFSJKKZ-APWZRJJASA-N 2 0 339.524 3.240 10 0 EGAERP c1cn2cc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)sc2n1 ZINC000893333972 1305836297 /nfs/dbraw/zinc/83/62/97/1305836297.db2.gz XBADCZSJBBZIOC-UHFFFAOYSA-N 2 0 326.469 3.281 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]Cc1ccc(C[N@H+]2CCC[C@@H](C)C2)cc1 ZINC000894177087 1306263573 /nfs/dbraw/zinc/26/35/73/1306263573.db2.gz ZBIRVLFEYZVEAL-MRXNPFEDSA-N 2 0 338.499 3.494 10 0 EGAERP Cc1ccc(C2=NO[C@@H](CN[C@@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc1C ZINC000895501640 1309375861 /nfs/dbraw/zinc/37/58/61/1309375861.db2.gz INXJYOHNIXXDQO-QZTJIDSGSA-N 2 0 329.488 3.259 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000899205031 1310978677 /nfs/dbraw/zinc/97/86/77/1310978677.db2.gz JSGCAPGINRQALO-KRWDZBQOSA-N 2 0 335.536 3.116 10 0 EGAERP C[NH+](C)Cc1ccc(NC(=O)C[C@@H]2CC[N@H+](C)C2)cc1C(F)(F)F ZINC000899671850 1317128549 /nfs/dbraw/zinc/12/85/49/1317128549.db2.gz FSBULIVUJOOZHL-LBPRGKRZSA-N 2 0 343.393 3.047 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000858164236 1328700612 /nfs/dbraw/zinc/70/06/12/1328700612.db2.gz UOKRGPLFVBKMJO-CABCVRRESA-N 2 0 330.394 3.201 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533894 1328790677 /nfs/dbraw/zinc/79/06/77/1328790677.db2.gz YDBIGJCBRNKKKR-DNVCBOLYSA-N 2 0 343.471 3.311 10 0 EGAERP C[NH+]1CCC2(CCC[N@H+](C[C@H]3CCC[C@@H](C(F)(F)F)O3)C2)CC1 ZINC000930310476 1328831059 /nfs/dbraw/zinc/83/10/59/1328831059.db2.gz ZVBLWYXXXMFZFD-CABCVRRESA-N 2 0 334.426 3.294 10 0 EGAERP O=c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCCC3)cc2)cc[nH]1 ZINC000921620124 1322364886 /nfs/dbraw/zinc/36/48/86/1322364886.db2.gz GTGHPZYFWWIUBT-UHFFFAOYSA-N 2 0 325.456 3.453 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@@H]4C3)C2)cc1 ZINC000921670523 1322376106 /nfs/dbraw/zinc/37/61/06/1322376106.db2.gz GNIWDMIWBBSLND-GXRSIYKFSA-N 2 0 342.527 3.346 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H](NCc2cc(C)cnc2Cl)[C@@H](C)C1 ZINC000921747341 1322390743 /nfs/dbraw/zinc/39/07/43/1322390743.db2.gz NKZILUNPIUUHAK-DOTOQJQBSA-N 2 0 339.911 3.270 10 0 EGAERP CS[C@@H]1CCC[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000921792370 1322398663 /nfs/dbraw/zinc/39/86/63/1322398663.db2.gz WYIGTFBPGXRMJU-QZTJIDSGSA-N 2 0 339.593 3.201 10 0 EGAERP O=c1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259234 1322489291 /nfs/dbraw/zinc/48/92/91/1322489291.db2.gz CHPZWWZIBOPEAQ-LJQANCHMSA-N 2 0 337.467 3.179 10 0 EGAERP CCCC[N@H+](C[C@@H](O)CC1(O)CCC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033859 1329034137 /nfs/dbraw/zinc/03/41/37/1329034137.db2.gz KZMVGWAEVLCJBJ-KRWDZBQOSA-N 2 0 340.552 3.064 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922847759 1322631800 /nfs/dbraw/zinc/63/18/00/1322631800.db2.gz DUQXCYKMQSWPCU-UHFFFAOYSA-N 3 0 345.531 3.124 10 0 EGAERP C[NH+](C)CCC[C@H]1CN(C[C@@H]2[C@@H](c3ccccc3)C2(F)F)CCO1 ZINC000931076868 1329043165 /nfs/dbraw/zinc/04/31/65/1329043165.db2.gz YMSPRJAWIILGRS-RCCFBDPRSA-N 2 0 338.442 3.078 10 0 EGAERP O[C@H](Cc1ccc2ccccc2c1)C[N@@H+]1CCCC[C@@H]1[C@H]1CC[NH2+]C1 ZINC000923364338 1322740739 /nfs/dbraw/zinc/74/07/39/1322740739.db2.gz MJHDJPDKNNQLEG-BHDDXSALSA-N 2 0 338.495 3.207 10 0 EGAERP CC1(C)C[NH2+]CC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923370750 1322742114 /nfs/dbraw/zinc/74/21/14/1322742114.db2.gz QVQCMZZKVKKWEB-NUEKZKHPSA-N 2 0 342.405 3.146 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)cc1F ZINC000923378714 1322743084 /nfs/dbraw/zinc/74/30/84/1322743084.db2.gz LQCNBAAIKRFEEX-CJNGLKHVSA-N 2 0 326.843 3.144 10 0 EGAERP [NH3+][C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F ZINC000923380624 1322743204 /nfs/dbraw/zinc/74/32/04/1322743204.db2.gz AFUPGKJKQGGRPM-DSJMHWKBSA-N 2 0 328.378 3.028 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923495940 1322761835 /nfs/dbraw/zinc/76/18/35/1322761835.db2.gz GFYSKOAKIOFEAA-VQIMIIECSA-N 2 0 337.467 3.356 10 0 EGAERP CCSc1ccccc1C[C@@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924656572 1323097120 /nfs/dbraw/zinc/09/71/20/1323097120.db2.gz AVSBVIQCYQFQAW-GOSISDBHSA-N 2 0 349.588 3.347 10 0 EGAERP CC[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(OC)n1 ZINC000924704001 1323123129 /nfs/dbraw/zinc/12/31/29/1323123129.db2.gz JRCZZNMZAQDOAS-SFHVURJKSA-N 2 0 343.471 3.272 10 0 EGAERP C[C@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccnn1C1CCC1 ZINC000924705582 1323124034 /nfs/dbraw/zinc/12/40/34/1323124034.db2.gz XIPQKTYKHNGTCN-INIZCTEOSA-N 2 0 342.487 3.399 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+]C1CC2(C1)COC(C)(C)C2 ZINC000924861957 1323190362 /nfs/dbraw/zinc/19/03/62/1323190362.db2.gz MRYYNMPGXLXUTE-UHFFFAOYSA-N 2 0 332.488 3.064 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)C2)cc1 ZINC000924941572 1323222286 /nfs/dbraw/zinc/22/22/86/1323222286.db2.gz YJEYORUAJFPFQU-BAGYTPMASA-N 2 0 342.527 3.346 10 0 EGAERP Cn1cc(C[C@H]2CCC[C@H]2[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cn1 ZINC000925076000 1323268283 /nfs/dbraw/zinc/26/82/83/1323268283.db2.gz VKLAXVRHAYNPQZ-YLJYHZDGSA-N 2 0 344.478 3.122 10 0 EGAERP C[NH+](C)C1(C)CC[NH+](CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000931356447 1329101001 /nfs/dbraw/zinc/10/10/01/1329101001.db2.gz XQZAQEOSZCQXOY-MRXNPFEDSA-N 2 0 339.524 3.050 10 0 EGAERP Fc1ccc(C2(C[NH2+][C@H]3CC[NH2+]C34CCCC4)CCOCC2)cc1 ZINC000925501738 1325179526 /nfs/dbraw/zinc/17/95/26/1325179526.db2.gz CZBPYEOAGCXIRO-SFHVURJKSA-N 2 0 332.463 3.138 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000925519782 1325187961 /nfs/dbraw/zinc/18/79/61/1325187961.db2.gz JTLJHHSCJBNFPN-VAMGGRTRSA-N 2 0 329.532 3.394 10 0 EGAERP Cc1cccc2oc(CC[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)nc21 ZINC000925525323 1325191142 /nfs/dbraw/zinc/19/11/42/1325191142.db2.gz BRLVHEYKUYGMKZ-DLBZAZTESA-N 2 0 327.472 3.437 10 0 EGAERP CC1(C)[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925530072 1325193835 /nfs/dbraw/zinc/19/38/35/1325193835.db2.gz BESKLWRAUJXXED-QYZOEREBSA-N 3 0 347.572 3.326 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000925568355 1325214243 /nfs/dbraw/zinc/21/42/43/1325214243.db2.gz JXFPNKOPBSWGGR-LSDHHAIUSA-N 2 0 330.501 3.243 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C[C@@H]([NH3+])C1 ZINC000925568352 1325214590 /nfs/dbraw/zinc/21/45/90/1325214590.db2.gz JXFPNKOPBSWGGR-CABCVRRESA-N 2 0 330.501 3.243 10 0 EGAERP c1ccc2sc(N3CCC([NH2+][C@@H]4CC[NH2+]C45CCC5)CC3)nc2c1 ZINC000925582679 1325220735 /nfs/dbraw/zinc/22/07/35/1325220735.db2.gz AQMJAOUVSANHOW-QGZVFWFLSA-N 2 0 342.512 3.139 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925615152 1325230803 /nfs/dbraw/zinc/23/08/03/1325230803.db2.gz MQNFMAWPYVATND-NEWSRXKRSA-N 2 0 332.488 3.028 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@@H](OC1CCOCC1)c1ccccc1 ZINC000925616263 1325231671 /nfs/dbraw/zinc/23/16/71/1325231671.db2.gz LIGLVTYVBQSOPI-YGWPLHOASA-N 2 0 344.499 3.171 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H](O)c1c(F)cccc1Cl ZINC000925619069 1325232856 /nfs/dbraw/zinc/23/28/56/1325232856.db2.gz KUTCKSYXAWNYLG-XSUJLISDSA-N 2 0 328.859 3.397 10 0 EGAERP [NH3+][C@@H]1C[C@H](N[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C12CCC2 ZINC000925637882 1325242461 /nfs/dbraw/zinc/24/24/61/1325242461.db2.gz UKUNSDOHBGYIIW-XNTOXWQXSA-N 2 0 339.527 3.147 10 0 EGAERP C[C@](O)(C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639195 1325242749 /nfs/dbraw/zinc/24/27/49/1325242749.db2.gz KDGMJJUITSFPNC-QRVBRYPASA-N 2 0 336.907 3.305 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]CC[C@H]1CCC2(CCOCC2)CO1 ZINC000925772698 1325294264 /nfs/dbraw/zinc/29/42/64/1325294264.db2.gz JFIWECFJPCAMAX-GUDVDZBRSA-N 2 0 338.536 3.253 10 0 EGAERP COc1cc([C@@H](C)NC[C@@H]2C[NH2+]CCC2(F)F)ccc1SC ZINC000925781180 1325299208 /nfs/dbraw/zinc/29/92/08/1325299208.db2.gz HNBWFHIBOIFVRZ-YPMHNXCESA-N 2 0 330.444 3.313 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925793699 1325303840 /nfs/dbraw/zinc/30/38/40/1325303840.db2.gz AJDABUHVVSMGLQ-MLZLACJZSA-N 3 0 327.516 3.017 10 0 EGAERP CC[C@H](CSc1ccc(Cl)cc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808645 1325310184 /nfs/dbraw/zinc/31/01/84/1325310184.db2.gz BXNJZSYGISPSRM-MRXNPFEDSA-N 2 0 341.952 3.223 10 0 EGAERP Cc1cc(F)ccc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816124 1325314111 /nfs/dbraw/zinc/31/41/11/1325314111.db2.gz FZEJEGUOPAPIJT-KRWDZBQOSA-N 2 0 341.474 3.390 10 0 EGAERP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925839347 1325322961 /nfs/dbraw/zinc/32/29/61/1325322961.db2.gz AYQPQVAZXIMUAB-CWJKEVGVSA-N 2 0 327.516 3.019 10 0 EGAERP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842555 1325325233 /nfs/dbraw/zinc/32/52/33/1325325233.db2.gz AGOJCVBAHKGMAA-OAHLLOKOSA-N 2 0 338.565 3.301 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844066 1325325375 /nfs/dbraw/zinc/32/53/75/1325325375.db2.gz VBXFXGYEYYWIQA-OYNPSCLESA-N 2 0 327.516 3.019 10 0 EGAERP CC(C)C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925854329 1325331336 /nfs/dbraw/zinc/33/13/36/1325331336.db2.gz RINVVLWZQQFRLC-QZTJIDSGSA-N 2 0 330.472 3.049 10 0 EGAERP O=C1O[C@H](C[NH2+]C2CCC(C3CCCCC3)CC2)CC12CC[NH2+]CC2 ZINC000925853481 1325331900 /nfs/dbraw/zinc/33/19/00/1325331900.db2.gz ZEHHRPNXYLZIFM-ACBHZAAOSA-N 2 0 348.531 3.400 10 0 EGAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)n1 ZINC000925872640 1325337142 /nfs/dbraw/zinc/33/71/42/1325337142.db2.gz IMZIHNOGZMVCFE-BPKGMFCQSA-N 2 0 332.492 3.169 10 0 EGAERP Cc1c([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1cccc(Cl)c1 ZINC000925875400 1325338227 /nfs/dbraw/zinc/33/82/27/1325338227.db2.gz GNOVFBBOITXPTC-KYOSRNDESA-N 2 0 333.867 3.007 10 0 EGAERP c1ccc2c(c1)CCO[C@@H]2CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925880993 1325340471 /nfs/dbraw/zinc/34/04/71/1325340471.db2.gz PFGSRJUWJUTKQG-PWRODBHTSA-N 2 0 328.500 3.448 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H]2CC[C@@H]3SCCS[C@@H]23)C1 ZINC000925886955 1325342975 /nfs/dbraw/zinc/34/29/75/1325342975.db2.gz OBUYQNCGGRTVCS-ZBRFXRBCSA-N 2 0 334.554 3.015 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C[C@@H]1C ZINC000925887217 1325344438 /nfs/dbraw/zinc/34/44/38/1325344438.db2.gz VOHSSDVWAOVWLE-LIALQNRZSA-N 2 0 344.499 3.003 10 0 EGAERP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926209122 1325472023 /nfs/dbraw/zinc/47/20/23/1325472023.db2.gz COSZIIITHXEUOG-GJYPPUQNSA-N 2 0 347.503 3.266 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]C2CC([NH+]3CCCCC3)C2)n(C)n1 ZINC000926337464 1325519708 /nfs/dbraw/zinc/51/97/08/1325519708.db2.gz PFNFBXHOFMFVTN-OYGLOCFBSA-N 2 0 330.520 3.046 10 0 EGAERP CNC(=O)C[C@@H]([NH2+][C@H](C)c1cccc(C[NH+](C)C)c1)c1ccccc1 ZINC000926347301 1325523217 /nfs/dbraw/zinc/52/32/17/1325523217.db2.gz YPXPJDGOWATPIE-OXQOHEQNSA-N 2 0 339.483 3.276 10 0 EGAERP OC[C@@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000926681019 1327663945 /nfs/dbraw/zinc/66/39/45/1327663945.db2.gz UOUVEFYVXRXSBL-OTYNDTSQSA-N 2 0 328.500 3.323 10 0 EGAERP O[C@@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000926712706 1327679488 /nfs/dbraw/zinc/67/94/88/1327679488.db2.gz IIIHDPDWGCXBHP-JAGQDSLRSA-N 2 0 340.511 3.465 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@H]1C ZINC000926776750 1327711745 /nfs/dbraw/zinc/71/17/45/1327711745.db2.gz FSTNRIFEFUFALZ-HZEGPAAWSA-N 2 0 330.516 3.405 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C(F)(F)F)c1cccc(OCC[NH+](C)C)c1 ZINC000926949247 1327791001 /nfs/dbraw/zinc/79/10/01/1327791001.db2.gz MFYRHITWMGZWPP-IVMMDQJWSA-N 2 0 330.394 3.476 10 0 EGAERP CN(C)[C@H](CC[NH2+]C1CCC(C)([NH+]2CCCC2)CC1)C(F)(F)F ZINC000926962287 1327800787 /nfs/dbraw/zinc/80/07/87/1327800787.db2.gz ZHOOSDVODRFMCK-HWOWSKLDSA-N 2 0 335.458 3.256 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@H]2CC[NH+](C[C@]3(C)CCCS3)C2)ccn1 ZINC000862423153 1329485110 /nfs/dbraw/zinc/48/51/10/1329485110.db2.gz QKCMKXVAPVXCHY-OALUTQOASA-N 2 0 349.544 3.272 10 0 EGAERP CC(=O)NCC1CCC([NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000865481037 1329703624 /nfs/dbraw/zinc/70/36/24/1329703624.db2.gz SUEQJBUPWCVSQU-OCDPCBSRSA-N 2 0 345.531 3.182 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@@H](C2CCC2)[C@@H]2CCOC2)cc1 ZINC000865762868 1329736021 /nfs/dbraw/zinc/73/60/21/1329736021.db2.gz XYPBSGJMROYKEY-CTNGQTDRSA-N 2 0 346.515 3.312 10 0 EGAERP COc1cc2c(cc1C[NH2+]C1CCC(C)([NH+](C)C)CC1)O[C@@H](C)C2 ZINC000865765850 1329736481 /nfs/dbraw/zinc/73/64/81/1329736481.db2.gz OUYJXMIOHWONSB-JTOQLSFASA-N 2 0 332.488 3.371 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccnn2CC2CC2)(c2ccccc2)CC1 ZINC000865775056 1329737252 /nfs/dbraw/zinc/73/72/52/1329737252.db2.gz PUQDVIUBXKRVLR-UHFFFAOYSA-N 2 0 338.499 3.046 10 0 EGAERP c1ccc(CC[NH+]2CCC([NH2+]C[C@@H]3CCC34CCOCC4)CC2)cc1 ZINC000865778283 1329737355 /nfs/dbraw/zinc/73/73/55/1329737355.db2.gz SHBDBVVUKXIGDX-FQEVSTJZSA-N 2 0 342.527 3.490 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1 ZINC000866266174 1330087330 /nfs/dbraw/zinc/08/73/30/1330087330.db2.gz XSFPPJGINSOROU-FYINFDKHSA-N 2 0 345.506 3.207 10 0 EGAERP CC(C)[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000866274250 1330089331 /nfs/dbraw/zinc/08/93/31/1330089331.db2.gz IDSJRRGEYKFKHM-HXUWFJFHSA-N 2 0 344.547 3.319 10 0 EGAERP [NH3+]Cc1cc(F)cc(NC(=O)C2CC[NH+](Cc3ccccc3)CC2)c1 ZINC000868067912 1330245824 /nfs/dbraw/zinc/24/58/24/1330245824.db2.gz BARVDXTYEAITBL-UHFFFAOYSA-N 2 0 341.430 3.135 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CN2C[C@H](c3ccccc3)CC2=O)CC1 ZINC001322962113 1387256993 /nfs/dbraw/zinc/25/69/93/1387256993.db2.gz PAAUATCIAUCQST-HXUWFJFHSA-N 2 0 343.515 3.014 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001323111634 1387293339 /nfs/dbraw/zinc/29/33/39/1387293339.db2.gz CPTPXFDDHYGHIE-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001323520226 1387381427 /nfs/dbraw/zinc/38/14/27/1387381427.db2.gz STZNXWWGSOGORA-SFHVURJKSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001323644741 1387416543 /nfs/dbraw/zinc/41/65/43/1387416543.db2.gz WNILTONSSPPEID-WOJBJXKFSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](C)C)CC2)C1 ZINC001323637841 1387414106 /nfs/dbraw/zinc/41/41/06/1387414106.db2.gz NHPKTKUVBXHARB-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1nccn1CCCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001323641429 1387415652 /nfs/dbraw/zinc/41/56/52/1387415652.db2.gz IZDMKPLXMSCFOM-MOPGFXCFSA-N 2 0 346.519 3.083 10 0 EGAERP CCC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001323641813 1387415830 /nfs/dbraw/zinc/41/58/30/1387415830.db2.gz KMLDJJHFZGVVOV-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001324175803 1387550762 /nfs/dbraw/zinc/55/07/62/1387550762.db2.gz OSWSNWUAWBALJP-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324466173 1387632012 /nfs/dbraw/zinc/63/20/12/1387632012.db2.gz CSNZIUMBIZNJQL-OALUTQOASA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324557727 1387673520 /nfs/dbraw/zinc/67/35/20/1387673520.db2.gz TZHMBJCSQWOLAI-AZUAARDMSA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001324727251 1387753921 /nfs/dbraw/zinc/75/39/21/1387753921.db2.gz GLKAFIRARVSDKR-UECNCYPVSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001324772413 1387766015 /nfs/dbraw/zinc/76/60/15/1387766015.db2.gz SEXSDOAHAMRTLK-GIWCCYDRSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001324935512 1387831625 /nfs/dbraw/zinc/83/16/25/1387831625.db2.gz FQIYGFIJLJPDMV-ICSRJNTNSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CCCC[C@H]1N(C)C(=O)C[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001197285347 1368780489 /nfs/dbraw/zinc/78/04/89/1368780489.db2.gz PAQDTABYJPQSGZ-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001325402971 1387961692 /nfs/dbraw/zinc/96/16/92/1387961692.db2.gz AADNTVOHXLDDGG-HZPDHXFCSA-N 2 0 349.544 3.216 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001325529285 1387998093 /nfs/dbraw/zinc/99/80/93/1387998093.db2.gz CDTCIGHERVGHIG-OBNUAKFSSA-N 2 0 347.547 3.045 10 0 EGAERP C([NH2+]C1CCC2(CSC2)CC1)C1CC[NH+](C2CCOCC2)CC1 ZINC001206636753 1371115371 /nfs/dbraw/zinc/11/53/71/1371115371.db2.gz RLQOEQALGHHCMS-UHFFFAOYSA-N 2 0 338.561 3.143 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4ccoc43)cc2)C1 ZINC001118423040 1371179422 /nfs/dbraw/zinc/17/94/22/1371179422.db2.gz BXDNOIHBZHCAEI-FQEVSTJZSA-N 2 0 336.435 3.289 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)CCC2)C1 ZINC001326844429 1388327040 /nfs/dbraw/zinc/32/70/40/1388327040.db2.gz PPMGYYXOTOBCHS-ZWKOTPCHSA-N 2 0 347.547 3.068 10 0 EGAERP CC1CC[NH+](CCc2cccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC001327106438 1388382099 /nfs/dbraw/zinc/38/20/99/1388382099.db2.gz BJNONDKFJJBZNV-VQTJNVASSA-N 2 0 343.515 3.417 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001327128851 1388393357 /nfs/dbraw/zinc/39/33/57/1388393357.db2.gz CXVGCJZCMAAZTF-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264121992 1377140183 /nfs/dbraw/zinc/14/01/83/1377140183.db2.gz DQNWDHPKTRJERL-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265627599 1377155637 /nfs/dbraw/zinc/15/56/37/1377155637.db2.gz FFWWPPISVKQEAP-XJDXJNMNSA-N 2 0 349.563 3.293 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001265630941 1377156697 /nfs/dbraw/zinc/15/66/97/1377156697.db2.gz SUGMKMXXNUIEIE-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1C[NH2+]Cc1ccccc1F ZINC001265688058 1377159563 /nfs/dbraw/zinc/15/95/63/1377159563.db2.gz LQQVIZHGDHAKNG-GOSISDBHSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001266174626 1377216815 /nfs/dbraw/zinc/21/68/15/1377216815.db2.gz OKNQKMYLEUVXCR-IAGOWNOFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001266224650 1377236262 /nfs/dbraw/zinc/23/62/62/1377236262.db2.gz BVMWKATWUGADRA-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@@H]1CCC[C@@H](C)C1 ZINC001266575467 1377335859 /nfs/dbraw/zinc/33/58/59/1377335859.db2.gz PUEIBNDMTMGYHC-MOPGFXCFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001267182215 1377428493 /nfs/dbraw/zinc/42/84/93/1377428493.db2.gz WYWAITFYGNSXNY-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001267841141 1377473798 /nfs/dbraw/zinc/47/37/98/1377473798.db2.gz LLJZOPOQIOGMQT-UHFFFAOYSA-N 2 0 325.541 3.029 10 0 EGAERP CCC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001268045272 1377483649 /nfs/dbraw/zinc/48/36/49/1377483649.db2.gz XHEWYOJHCHTBSN-AATRIKPKSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[N@H+](CCCCCF)C2)c1 ZINC001268236357 1377500229 /nfs/dbraw/zinc/50/02/29/1377500229.db2.gz GADWZBRDWCGTFV-IBGZPJMESA-N 2 0 349.494 3.082 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001269447479 1377554258 /nfs/dbraw/zinc/55/42/58/1377554258.db2.gz CADIAEDFJDAHKJ-QTJNJRLBSA-N 2 0 343.515 3.059 10 0 EGAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001270650777 1377609029 /nfs/dbraw/zinc/60/90/29/1377609029.db2.gz YFXNDDRNDGWBNL-TZIWHRDSSA-N 2 0 345.531 3.231 10 0 EGAERP CC[C@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001271575908 1377639079 /nfs/dbraw/zinc/63/90/79/1377639079.db2.gz KBYQCSXGKDESCH-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP CCCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)Cn1ccnc1C(C)C ZINC001271740651 1377648565 /nfs/dbraw/zinc/64/85/65/1377648565.db2.gz UDXTZULRYMPQIB-MSOLQXFVSA-N 2 0 348.535 3.413 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001274340340 1378123658 /nfs/dbraw/zinc/12/36/58/1378123658.db2.gz WVWXQUXCXQBBON-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C/C=C/CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001274414201 1378124015 /nfs/dbraw/zinc/12/40/15/1378124015.db2.gz RLHNMRVKKWWNCQ-DUFJLWIISA-N 2 0 349.563 3.197 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCCCF)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001277764518 1378248371 /nfs/dbraw/zinc/24/83/71/1378248371.db2.gz VQQJFSHFKXAHHC-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)CCC[N@H+](C)CCN(C(=O)[C@@H]1CCn2ccnc2C1)C(C)C ZINC001278911761 1378290498 /nfs/dbraw/zinc/29/04/98/1378290498.db2.gz DOFBXEBBNQCSCJ-GOSISDBHSA-N 2 0 348.535 3.051 10 0 EGAERP CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001278911546 1378290527 /nfs/dbraw/zinc/29/05/27/1378290527.db2.gz CNAXYGVGGTZAQY-FQEVSTJZSA-N 2 0 345.531 3.230 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001280262908 1378337657 /nfs/dbraw/zinc/33/76/57/1378337657.db2.gz AJMXQHNJCVDNIH-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001281021701 1378393449 /nfs/dbraw/zinc/39/34/49/1378393449.db2.gz QOQMWAYUTCIXHK-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@]2(CC[NH+](CC3CCC3)C2)C1)CC(C)(C)C ZINC001327529487 1388550507 /nfs/dbraw/zinc/55/05/07/1388550507.db2.gz IGVCQDKCAYVHMJ-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1)c1ccccc1F ZINC001282619439 1378518562 /nfs/dbraw/zinc/51/85/62/1378518562.db2.gz UQKGIIUWDFSXPJ-MRXNPFEDSA-N 2 0 349.494 3.247 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC[C@@]2(CC[N@H+](CC)C2)C1 ZINC001327540572 1388555809 /nfs/dbraw/zinc/55/58/09/1388555809.db2.gz JJGWFMIDMOHSPJ-FQEVSTJZSA-N 2 0 337.552 3.223 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1Cc1cccc(F)c1)[NH+](C)C ZINC001282667850 1378540712 /nfs/dbraw/zinc/54/07/12/1378540712.db2.gz ZQTLOWYRJJRLSJ-RTBURBONSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1C[NH+](CCC2CCCC2)CC1(C)C ZINC001282810337 1378621702 /nfs/dbraw/zinc/62/17/02/1378621702.db2.gz IJCCGPZZCNUDDB-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001282820798 1378626919 /nfs/dbraw/zinc/62/69/19/1378626919.db2.gz MTEKYOOJWXMQQK-KAGICYHLSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001283111078 1378735396 /nfs/dbraw/zinc/73/53/96/1378735396.db2.gz NGHGBLXNZAOWNT-BRSBDYLESA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C1CC[NH+](C)CC1 ZINC001283233285 1378767925 /nfs/dbraw/zinc/76/79/25/1378767925.db2.gz RUXQHGOFBGADLO-HZPDHXFCSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001283334250 1378817472 /nfs/dbraw/zinc/81/74/72/1378817472.db2.gz HYMVKBVWSOQWBA-UHFFFAOYSA-N 2 0 345.531 3.331 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001147198226 1378984847 /nfs/dbraw/zinc/98/48/47/1378984847.db2.gz FKQLXIDBJOLSIN-WSTZPKSXSA-N 2 0 345.531 3.086 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC001147198224 1378985124 /nfs/dbraw/zinc/98/51/24/1378985124.db2.gz FKQLXIDBJOLSIN-HBFSDRIKSA-N 2 0 345.531 3.086 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001283531270 1379003721 /nfs/dbraw/zinc/00/37/21/1379003721.db2.gz WJJLWEAPRLRNBC-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001283619127 1379057876 /nfs/dbraw/zinc/05/78/76/1379057876.db2.gz YOOFRAJZTNRWMU-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CC3)CCC[C@@H]12 ZINC001284066157 1379422558 /nfs/dbraw/zinc/42/25/58/1379422558.db2.gz FFPGBSMQOVBOHC-UEXGIBASSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]12CCC[C@@H]1[N@H+](CCCC1CCCC1)CC2 ZINC001284071193 1379434059 /nfs/dbraw/zinc/43/40/59/1379434059.db2.gz WQNRYEMSGNFZRA-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCCC3)[C@H]2C1 ZINC001284095626 1379461437 /nfs/dbraw/zinc/46/14/37/1379461437.db2.gz IFAJVZWFEVCPIZ-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001284187573 1379579706 /nfs/dbraw/zinc/57/97/06/1379579706.db2.gz DFNRNTBEAAWEGK-SJORKVTESA-N 2 0 337.552 3.170 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH2+]CC=C(C)C)[C@@H](C)C2)o1 ZINC001327958080 1388633219 /nfs/dbraw/zinc/63/32/19/1388633219.db2.gz KHOGBCPHFQCAAU-WMZOPIPTSA-N 2 0 347.503 3.138 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284589325 1379990209 /nfs/dbraw/zinc/99/02/09/1379990209.db2.gz IGNVYKHBPRTHBP-XSAZBNQGSA-N 2 0 349.563 3.195 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001284614541 1380013762 /nfs/dbraw/zinc/01/37/62/1380013762.db2.gz SWTOAHYISOHZGT-INIZCTEOSA-N 2 0 339.568 3.418 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001284683940 1380094084 /nfs/dbraw/zinc/09/40/84/1380094084.db2.gz IKVVGYCVBXOQJX-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1)[NH+]1CCCCC1 ZINC001154078588 1380200719 /nfs/dbraw/zinc/20/07/19/1380200719.db2.gz OIZZSKNBASRAAV-INIZCTEOSA-N 2 0 342.487 3.285 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001284946415 1380325025 /nfs/dbraw/zinc/32/50/25/1380325025.db2.gz GEPWZDYIVZGUSJ-GOSISDBHSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001284946416 1380325051 /nfs/dbraw/zinc/32/50/51/1380325051.db2.gz GEPWZDYIVZGUSJ-SFHVURJKSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001328266330 1388704391 /nfs/dbraw/zinc/70/43/91/1388704391.db2.gz IQRWWQKHSUNKJT-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1F ZINC001328281404 1388712134 /nfs/dbraw/zinc/71/21/34/1388712134.db2.gz COGUBGMHEUTBBT-AEFFLSMTSA-N 2 0 349.494 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001328736248 1388833760 /nfs/dbraw/zinc/83/37/60/1388833760.db2.gz HYGLUFKGWZHDNB-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP c1cc(N2CCC[N@@H+](C[C@@H]3CC4(CO3)CCCCC4)CC2)cc[nH+]1 ZINC001307875506 1384048231 /nfs/dbraw/zinc/04/82/31/1384048231.db2.gz NOMUFDSWMUCAQC-IBGZPJMESA-N 2 0 329.488 3.333 10 0 EGAERP CCN(CCC[N@@H+]1C[C@@]23C[NH+](C)C[C@]2(C1)CCCC3)CC(F)(F)F ZINC001308170158 1384105290 /nfs/dbraw/zinc/10/52/90/1384105290.db2.gz JAKPLGJPDGLNBM-CALCHBBNSA-N 2 0 347.469 3.069 10 0 EGAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001328929555 1388904695 /nfs/dbraw/zinc/90/46/95/1388904695.db2.gz YXILFKPLJMBKFJ-ACBHZAAOSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1c(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001316618807 1384485134 /nfs/dbraw/zinc/48/51/34/1384485134.db2.gz RMYWIYQEIBCKHE-IYBDPMFKSA-N 2 0 342.487 3.177 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001316620939 1384486519 /nfs/dbraw/zinc/48/65/19/1384486519.db2.gz WHOHLHCVOBPQPO-HLIPFELVSA-N 2 0 345.531 3.307 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1C[C@@H]([NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001316624832 1384489972 /nfs/dbraw/zinc/48/99/72/1384489972.db2.gz OSXGSQMYLHITJZ-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)C)[C@@H]1CC ZINC001316732270 1384550016 /nfs/dbraw/zinc/55/00/16/1384550016.db2.gz HALVMNHECORIFN-OTWHNJEPSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](C/C=C\c2ccccc2)[C@@H]1CC)[NH+](C)C ZINC001316739825 1384554171 /nfs/dbraw/zinc/55/41/71/1384554171.db2.gz VGOZVUITPREQBW-PCTGILETSA-N 2 0 343.515 3.009 10 0 EGAERP CC[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1)[NH+](CC)CC ZINC001316772179 1384570561 /nfs/dbraw/zinc/57/05/61/1384570561.db2.gz IKXHDXXNSLHRTN-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316774258 1384572918 /nfs/dbraw/zinc/57/29/18/1384572918.db2.gz QAXAPVBOPOGWCT-PRPIBZDOSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCC1CCCCCC1 ZINC001316786881 1384581538 /nfs/dbraw/zinc/58/15/38/1384581538.db2.gz NMFITWCVYJWCPD-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001316811341 1384607887 /nfs/dbraw/zinc/60/78/87/1384607887.db2.gz MKNMPXVYZFGOGA-MGBKSAOESA-N 2 0 349.563 3.291 10 0 EGAERP Cc1cccc([C@H](C)[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001316825838 1384619796 /nfs/dbraw/zinc/61/97/96/1384619796.db2.gz VYGYTVXMZMMATP-AZUAARDMSA-N 2 0 345.531 3.367 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001316891103 1384672769 /nfs/dbraw/zinc/67/27/69/1384672769.db2.gz UWIIZFNHQNOPAV-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCCC2)CC1 ZINC001316932862 1384703461 /nfs/dbraw/zinc/70/34/61/1384703461.db2.gz BLRVFCJQNTUEGU-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CC3CCCCCC3)CC[C@@H]21 ZINC001317106212 1384870581 /nfs/dbraw/zinc/87/05/81/1384870581.db2.gz SNSPYVNIUSXLQF-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)CCCCC1 ZINC001317117892 1384877636 /nfs/dbraw/zinc/87/76/36/1384877636.db2.gz XONCAZYMBWIPLQ-KDURUIRLSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+](CC2CCCCC2)C1 ZINC001317140784 1384908953 /nfs/dbraw/zinc/90/89/53/1384908953.db2.gz QYBZYKGZAUSHAB-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001317157928 1384921793 /nfs/dbraw/zinc/92/17/93/1384921793.db2.gz MZQCNRVBYBIFHU-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001317199516 1384974282 /nfs/dbraw/zinc/97/42/82/1384974282.db2.gz MFSNCYXQOHNSMR-GNAXCBTBSA-N 2 0 335.536 3.189 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001317217906 1384997859 /nfs/dbraw/zinc/99/78/59/1384997859.db2.gz XEPGWEIRQRVNSM-MHJFOBGBSA-N 2 0 349.563 3.458 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CCC3=CCCCC3)CC2)CC1 ZINC001317219916 1384999852 /nfs/dbraw/zinc/99/98/52/1384999852.db2.gz BPSRINLUNPJRDF-UHFFFAOYSA-N 2 0 347.547 3.236 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001317295052 1385067758 /nfs/dbraw/zinc/06/77/58/1385067758.db2.gz UMDXCBCGHLQBHX-RBUKOAKNSA-N 2 0 345.531 3.335 10 0 EGAERP Cc1cccc(C[NH2+][C@H]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317356995 1385102536 /nfs/dbraw/zinc/10/25/36/1385102536.db2.gz HAYOKWCAXCENGL-PMACEKPBSA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001317360783 1385104015 /nfs/dbraw/zinc/10/40/15/1385104015.db2.gz ZHQPVVPWWBTFCG-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317397882 1385114168 /nfs/dbraw/zinc/11/41/68/1385114168.db2.gz YIURVGFSEBZCQW-ZWKOTPCHSA-N 2 0 345.531 3.333 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001317513849 1385227362 /nfs/dbraw/zinc/22/73/62/1385227362.db2.gz ZQEPHTCXPKFGNJ-AZUAARDMSA-N 2 0 345.531 3.033 10 0 EGAERP O=C(NCC[N@H+](CCC1CCCC1)C1CC1)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001317558297 1385331410 /nfs/dbraw/zinc/33/14/10/1385331410.db2.gz RZUGFBMDHIXHEB-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCCC1 ZINC001329125653 1388979461 /nfs/dbraw/zinc/97/94/61/1388979461.db2.gz JIUWBVFPLHIDKP-DLBZAZTESA-N 2 0 345.531 3.077 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)CC1 ZINC001317672822 1385379176 /nfs/dbraw/zinc/37/91/76/1385379176.db2.gz VJMZOEOBCLRIAC-PKOBYXMFSA-N 2 0 335.536 3.042 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC([C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317678651 1385385846 /nfs/dbraw/zinc/38/58/46/1385385846.db2.gz GSEYIAPXQMMHPX-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001317717843 1385419785 /nfs/dbraw/zinc/41/97/85/1385419785.db2.gz JAOCJHLJTKOHDN-NSISKUIASA-N 2 0 345.531 3.210 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001317808347 1385505824 /nfs/dbraw/zinc/50/58/24/1385505824.db2.gz GANAXXVOVNFNDP-NQIIRXRSSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317854379 1385538648 /nfs/dbraw/zinc/53/86/48/1385538648.db2.gz PXDUFGITMDEZFT-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001317881008 1385559203 /nfs/dbraw/zinc/55/92/03/1385559203.db2.gz CECGYYXNXQNLHL-WOJBJXKFSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC(C)(C)C ZINC001318214448 1385629977 /nfs/dbraw/zinc/62/99/77/1385629977.db2.gz FTYPOZKNMRBFNJ-GBESFXJTSA-N 2 0 349.563 3.361 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2c(C)cccc2C)C1)[NH+](CC)CC ZINC001318276774 1385640515 /nfs/dbraw/zinc/64/05/15/1385640515.db2.gz SIIHHRFMNAPHDC-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001318492500 1385721781 /nfs/dbraw/zinc/72/17/81/1385721781.db2.gz QPFRTGCOVFSAHD-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C[C@@H](C)CC(C)C ZINC001318539259 1385743277 /nfs/dbraw/zinc/74/32/77/1385743277.db2.gz CFSBJOQVSLXJNX-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001318728357 1385847111 /nfs/dbraw/zinc/84/71/11/1385847111.db2.gz NGQSQIMHTHYQMW-NQIIRXRSSA-N 2 0 347.547 3.093 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001318854667 1385862823 /nfs/dbraw/zinc/86/28/23/1385862823.db2.gz LOTIIXSQDCAOOL-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1)[NH+]1CCCC1 ZINC001318860720 1385864017 /nfs/dbraw/zinc/86/40/17/1385864017.db2.gz NZXDWNGVAIXBPW-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001318979929 1385908001 /nfs/dbraw/zinc/90/80/01/1385908001.db2.gz XPSIBDGUXOYZNZ-CADBVGFASA-N 2 0 337.552 3.314 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001318983227 1385908640 /nfs/dbraw/zinc/90/86/40/1385908640.db2.gz GUAXYTBZXHKDCN-FHWLQOOXSA-N 2 0 337.552 3.458 10 0 EGAERP CC/C=C/CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001319046033 1385944519 /nfs/dbraw/zinc/94/45/19/1385944519.db2.gz XSWRELJMZTVPBT-ASIGSXEYSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+][C@H](C)c1ccccc1F ZINC001319224505 1386013643 /nfs/dbraw/zinc/01/36/43/1386013643.db2.gz IITDCAQVPFNYSS-JKSUJKDBSA-N 2 0 349.494 3.103 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001319224504 1386014192 /nfs/dbraw/zinc/01/41/92/1386014192.db2.gz IITDCAQVPFNYSS-HZPDHXFCSA-N 2 0 349.494 3.103 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001319351757 1386074527 /nfs/dbraw/zinc/07/45/27/1386074527.db2.gz NMUDLHJYQNVSLN-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001319410212 1386108715 /nfs/dbraw/zinc/10/87/15/1386108715.db2.gz ADKBWUOOZJBFBW-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001319477373 1386139233 /nfs/dbraw/zinc/13/92/33/1386139233.db2.gz WTUYJCMREJYFKW-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(F)cc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001319512937 1386154575 /nfs/dbraw/zinc/15/45/75/1386154575.db2.gz XKGJDTGKEVDJKO-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP CCCCC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001319516473 1386157147 /nfs/dbraw/zinc/15/71/47/1386157147.db2.gz XXENYSGIBHJCCK-HKUYNNGSSA-N 2 0 337.552 3.410 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001319683531 1386250414 /nfs/dbraw/zinc/25/04/14/1386250414.db2.gz PTOZDHLEYMCMMJ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319759360 1386284272 /nfs/dbraw/zinc/28/42/72/1386284272.db2.gz WQKCLXZZWPJHAK-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001319809421 1386308152 /nfs/dbraw/zinc/30/81/52/1386308152.db2.gz NHJMWNGPXDPFOX-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001320034241 1386465772 /nfs/dbraw/zinc/46/57/72/1386465772.db2.gz QNQMHAICBAPELQ-UHFFFAOYSA-N 2 0 345.531 3.014 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001320463012 1386616041 /nfs/dbraw/zinc/61/60/41/1386616041.db2.gz CUJDQWPAAWFESP-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@@H](CC[NH2+]C/C=C\c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320516397 1386634283 /nfs/dbraw/zinc/63/42/83/1386634283.db2.gz HQKDGGISEHLFJO-DVESRUBUSA-N 2 0 343.515 3.059 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C/C[NH2+]CC1=CCCCC1 ZINC001321127696 1386817780 /nfs/dbraw/zinc/81/77/80/1386817780.db2.gz VSGDXDHSCQSXKP-MDZDMXLPSA-N 2 0 347.547 3.402 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1 ZINC001321134354 1386818583 /nfs/dbraw/zinc/81/85/83/1386818583.db2.gz CJDCFRCTIISWTI-HTJOGQSXSA-N 2 0 343.515 3.130 10 0 EGAERP CC[C@@H]([NH2+]C/C=C/CNC(=O)c1cccc2nccn21)c1ccccc1 ZINC001321155405 1386824734 /nfs/dbraw/zinc/82/47/34/1386824734.db2.gz LPUZYVSMKGGHAU-IPLHWJFFSA-N 2 0 348.450 3.361 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001321287063 1386866651 /nfs/dbraw/zinc/86/66/51/1386866651.db2.gz RKUODCWYFKLDED-XSXCZSQGSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H](CC[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001698679290 1406326556 /nfs/dbraw/zinc/32/65/56/1406326556.db2.gz LHNZRBHVANIDEO-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2cc(C)ccc2C)C1 ZINC001321627432 1386943742 /nfs/dbraw/zinc/94/37/42/1386943742.db2.gz IAPBSQRIIXWCLQ-RTBURBONSA-N 2 0 345.531 3.020 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001698695344 1406338902 /nfs/dbraw/zinc/33/89/02/1406338902.db2.gz JQBMREJLAXJBDH-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1 ZINC001322354987 1387168148 /nfs/dbraw/zinc/16/81/48/1387168148.db2.gz UXHJDXHOZLUHLN-OALUTQOASA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001322512593 1387198829 /nfs/dbraw/zinc/19/88/29/1387198829.db2.gz XQCJYVCHXNCVBT-YLJYHZDGSA-N 2 0 345.531 3.088 10 0 EGAERP CN(CCC[NH2+]CCCC1CCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001322592926 1387210340 /nfs/dbraw/zinc/21/03/40/1387210340.db2.gz TYLAGPAKGAXSTA-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001698718987 1406363762 /nfs/dbraw/zinc/36/37/62/1406363762.db2.gz ZESITLTWTGWSFL-UHFFFAOYSA-N 2 0 345.531 3.457 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329861465 1389238884 /nfs/dbraw/zinc/23/88/84/1389238884.db2.gz SOQVYUUCPXJUIJ-XFHJGTJQSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001329940220 1389268965 /nfs/dbraw/zinc/26/89/65/1389268965.db2.gz XQAZFAUYFHUSDN-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CCCCC[NH+]2CC2=CCCCC2)C1 ZINC001329940608 1389269126 /nfs/dbraw/zinc/26/91/26/1389269126.db2.gz ZEDYCRODKBQELB-UYAOXDASSA-N 2 0 347.547 3.189 10 0 EGAERP CO[C@H](C(=O)Nc1c[nH+]ccc1-n1ccnc1C)C1CCCCC1 ZINC001330411139 1389405552 /nfs/dbraw/zinc/40/55/52/1389405552.db2.gz GMZDIOTWHJKCFL-KRWDZBQOSA-N 2 0 328.416 3.110 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001330474126 1389425102 /nfs/dbraw/zinc/42/51/02/1389425102.db2.gz CUHXWCYHUYNZIZ-UFYCRDLUSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001330512342 1389437654 /nfs/dbraw/zinc/43/76/54/1389437654.db2.gz SASGWTQPXAOBAH-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001330512143 1389438376 /nfs/dbraw/zinc/43/83/76/1389438376.db2.gz LRFAVPIQVLIUEN-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)=CC[NH+]1C[C@@]2(C)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@@]2(C)C1 ZINC001330528048 1389445445 /nfs/dbraw/zinc/44/54/45/1389445445.db2.gz FAZVODVIKZYEID-OYRHEFFESA-N 2 0 349.563 3.101 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001698727214 1406378262 /nfs/dbraw/zinc/37/82/62/1406378262.db2.gz XGBNEZHTNZXIMO-GOSISDBHSA-N 2 0 345.531 3.306 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001330667084 1389490241 /nfs/dbraw/zinc/49/02/41/1389490241.db2.gz LAVCSCMTPDVSTK-MXVIHJGJSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](CCC[NH2+]CC1CCC1)c1ccccc1 ZINC001331176063 1389643526 /nfs/dbraw/zinc/64/35/26/1389643526.db2.gz GOKFPENOQGYBPF-WOJBJXKFSA-N 2 0 343.515 3.108 10 0 EGAERP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001331296247 1389690241 /nfs/dbraw/zinc/69/02/41/1389690241.db2.gz NKULNMPKZXXJHX-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001331457931 1389756708 /nfs/dbraw/zinc/75/67/08/1389756708.db2.gz IGMQSWMIFDZYNL-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1 ZINC001331576942 1389811135 /nfs/dbraw/zinc/81/11/35/1389811135.db2.gz YCRCPFQPLWEWGR-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001332110681 1389989164 /nfs/dbraw/zinc/98/91/64/1389989164.db2.gz KBIRDUHBNIZFQZ-OPYAIIAOSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH+]1CC[C@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@H]12 ZINC001332111811 1389990181 /nfs/dbraw/zinc/99/01/81/1389990181.db2.gz OCWMYXQDGRCVKQ-FXAWDEMLSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001332113806 1389991305 /nfs/dbraw/zinc/99/13/05/1389991305.db2.gz UDLKKZXABQGOOR-GGPKGHCWSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]21 ZINC001332141964 1390005564 /nfs/dbraw/zinc/00/55/64/1390005564.db2.gz UDEJRMCFPINWSE-GBESFXJTSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001332187090 1390030064 /nfs/dbraw/zinc/03/00/64/1390030064.db2.gz WCTFXVHPZBWIFT-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1=CCCCC1 ZINC001332216713 1390047403 /nfs/dbraw/zinc/04/74/03/1390047403.db2.gz FLAZMZPJXHLBBS-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339612 1390091380 /nfs/dbraw/zinc/09/13/80/1390091380.db2.gz GQVKJWQWDIRTRZ-RBUKOAKNSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CC(CC)CC)C(C)(C)C1 ZINC001332386948 1390103078 /nfs/dbraw/zinc/10/30/78/1390103078.db2.gz IBNPTEDFYOWFHM-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC(C)C1)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001332707507 1390161715 /nfs/dbraw/zinc/16/17/15/1390161715.db2.gz MTFREZUQWNGXDN-ACBHZAAOSA-N 2 0 337.552 3.074 10 0 EGAERP CC(C)C[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001332708378 1390162619 /nfs/dbraw/zinc/16/26/19/1390162619.db2.gz YSRYNPGIZLNWHY-IPMKNSEASA-N 2 0 339.568 3.178 10 0 EGAERP CCCC[N@H+](C)CCN(C(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001332710946 1390163897 /nfs/dbraw/zinc/16/38/97/1390163897.db2.gz NEFQOVCYZKXBRW-UHFFFAOYSA-N 2 0 330.476 3.225 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CC2CC3(CCC3)C2)C(C)(C)C)CCC1 ZINC001332810164 1390192580 /nfs/dbraw/zinc/19/25/80/1390192580.db2.gz ZPJOFHHEOCDFSE-KRWDZBQOSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1c(C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C)ccc2c[nH+]cn21 ZINC001332822923 1390194102 /nfs/dbraw/zinc/19/41/02/1390194102.db2.gz FTPYAMNRUCGWTQ-SFHVURJKSA-N 2 0 344.503 3.423 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001333417403 1390299305 /nfs/dbraw/zinc/29/93/05/1390299305.db2.gz OLLKSLZJEXYPNL-HXUWFJFHSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC001334946068 1390625019 /nfs/dbraw/zinc/62/50/19/1390625019.db2.gz ZTHJIVBIIFQAKZ-BBWFWOEESA-N 2 0 337.552 3.074 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001698797178 1406467673 /nfs/dbraw/zinc/46/76/73/1406467673.db2.gz FUZZKHLCMUBHOA-MSOLQXFVSA-N 2 0 335.536 3.212 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001698829862 1406523215 /nfs/dbraw/zinc/52/32/15/1406523215.db2.gz VCCYBTJSPMCQDM-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C)[C@H]1CCC[NH2+]CC1CC1 ZINC001479592419 1392283535 /nfs/dbraw/zinc/28/35/35/1392283535.db2.gz BVQOFXQFKFINNJ-RLLQIKCJSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@@H]21 ZINC001479609845 1392285650 /nfs/dbraw/zinc/28/56/50/1392285650.db2.gz AWCIQAIMILNNBM-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCC3)[C@@H]2C1(C)C ZINC001479613580 1392287530 /nfs/dbraw/zinc/28/75/30/1392287530.db2.gz NHDXKTJZEXXWAJ-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CC3CCCC3)[C@H]2C1(C)C ZINC001479613576 1392287805 /nfs/dbraw/zinc/28/78/05/1392287805.db2.gz NHDXKTJZEXXWAJ-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C1CC[NH+](C)CC1 ZINC001479614946 1392289311 /nfs/dbraw/zinc/28/93/11/1392289311.db2.gz UGZCFHHDRJEOII-CEXWTWQISA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CCC(C)CC1 ZINC001479636699 1392300364 /nfs/dbraw/zinc/30/03/64/1392300364.db2.gz BNKBWINSIHUMEN-ZYKFHVCXSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC(C)(C)C1 ZINC001479748132 1392365392 /nfs/dbraw/zinc/36/53/92/1392365392.db2.gz OFRCRAUVVIGHFK-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cncn2C)CC(C)(C)C1 ZINC001479748480 1392366279 /nfs/dbraw/zinc/36/62/79/1392366279.db2.gz WMBCGIWJRQRMEM-QGZVFWFLSA-N 2 0 348.535 3.006 10 0 EGAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCCC1CCCC1 ZINC001479782241 1392385125 /nfs/dbraw/zinc/38/51/25/1392385125.db2.gz PDOCSXIHJRGRPJ-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001698857068 1406564232 /nfs/dbraw/zinc/56/42/32/1406564232.db2.gz YRCUGCKHAKITAM-ZWKOTPCHSA-N 2 0 333.520 3.143 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C(C)C)cc1 ZINC001479839076 1392423382 /nfs/dbraw/zinc/42/33/82/1392423382.db2.gz LNFZVLDUZCSENO-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CCCC1 ZINC001479846668 1392428845 /nfs/dbraw/zinc/42/88/45/1392428845.db2.gz OQDZJCSIKDBVEQ-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](CC)[C@@H]1CCCc2ccccc21)[NH+](C)C ZINC001479854168 1392434528 /nfs/dbraw/zinc/43/45/28/1392434528.db2.gz BXWSQBJSUGVZBB-VQTJNVASSA-N 2 0 345.531 3.232 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](CCC1CCCCC1)C1CC1 ZINC001479874476 1392450810 /nfs/dbraw/zinc/45/08/10/1392450810.db2.gz SRAYFIZZKSKJHE-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001479894891 1392464237 /nfs/dbraw/zinc/46/42/37/1392464237.db2.gz IORPOMWRADAMMG-HDICACEKSA-N 2 0 337.552 3.218 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC(CC)CC)CC1 ZINC001479996988 1392528929 /nfs/dbraw/zinc/52/89/29/1392528929.db2.gz YYJNHMICHGSBMY-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC001480188103 1392618411 /nfs/dbraw/zinc/61/84/11/1392618411.db2.gz FMDOTGSHBBCGMV-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001480266254 1392650195 /nfs/dbraw/zinc/65/01/95/1392650195.db2.gz WFZTZYBDUCRVFY-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480282489 1392658462 /nfs/dbraw/zinc/65/84/62/1392658462.db2.gz AQVMCIMIGCVNPM-OAHLLOKOSA-N 2 0 337.533 3.052 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001480318656 1392679407 /nfs/dbraw/zinc/67/94/07/1392679407.db2.gz CLGHXUAOLICUFF-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001480332984 1392691875 /nfs/dbraw/zinc/69/18/75/1392691875.db2.gz VRPCKLNKGXZKRM-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001480332978 1392692133 /nfs/dbraw/zinc/69/21/33/1392692133.db2.gz VRPCKLNKGXZKRM-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001480350496 1392699458 /nfs/dbraw/zinc/69/94/58/1392699458.db2.gz VJGXJMBYIIFBQE-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001480352076 1392700643 /nfs/dbraw/zinc/70/06/43/1392700643.db2.gz QJWJCIAVCNKNOG-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)(C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001480357155 1392703060 /nfs/dbraw/zinc/70/30/60/1392703060.db2.gz NZRUCKCDXACQCR-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(N1CCCC[C@@H]1C[NH2+]CCC1CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001480366057 1392709737 /nfs/dbraw/zinc/70/97/37/1392709737.db2.gz RHYYNGSRZGSSRS-CTNGQTDRSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001480384566 1392728304 /nfs/dbraw/zinc/72/83/04/1392728304.db2.gz WVUZHQIXOYUJNI-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001480729017 1392891568 /nfs/dbraw/zinc/89/15/68/1392891568.db2.gz BZNWLJZBRIMWOA-HEVSSNLLSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001480753346 1392914520 /nfs/dbraw/zinc/91/45/20/1392914520.db2.gz FGIATBPRGJJPOK-UZLBHIALSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001480784052 1392931093 /nfs/dbraw/zinc/93/10/93/1392931093.db2.gz QJOYZGKTZICPDR-ZVBPTUHVSA-N 2 0 343.515 3.059 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@@H]2CCCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480832382 1392973590 /nfs/dbraw/zinc/97/35/90/1392973590.db2.gz XMBAUEBSQHSXEF-MHJFOBGBSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1cccc(F)c1 ZINC001480996529 1393075707 /nfs/dbraw/zinc/07/57/07/1393075707.db2.gz ZZYPOFJRFPMAIO-JZXOWHBKSA-N 2 0 349.494 3.055 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001481043789 1393104792 /nfs/dbraw/zinc/10/47/92/1393104792.db2.gz FPDTZIUWQXJBCS-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001481071750 1393113440 /nfs/dbraw/zinc/11/34/40/1393113440.db2.gz RYXRBEGFXNDZJZ-FQEVSTJZSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001481118844 1393124435 /nfs/dbraw/zinc/12/44/35/1393124435.db2.gz NEFQIEHCKBIRFP-YLJYHZDGSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001481317513 1393162604 /nfs/dbraw/zinc/16/26/04/1393162604.db2.gz HNXQMHNVLDMBQR-HDICACEKSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001481319500 1393163113 /nfs/dbraw/zinc/16/31/13/1393163113.db2.gz GSUPIYDBQFNIGT-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001481319499 1393163131 /nfs/dbraw/zinc/16/31/31/1393163131.db2.gz GSUPIYDBQFNIGT-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001481337050 1393166569 /nfs/dbraw/zinc/16/65/69/1393166569.db2.gz ZDDXAKFIBOUZOD-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481336995 1393166657 /nfs/dbraw/zinc/16/66/57/1393166657.db2.gz NXKWJLOXLQYVHE-HGFKVBKKSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001490376169 1394205894 /nfs/dbraw/zinc/20/58/94/1394205894.db2.gz IRVFAZCPORNFFG-FQEVSTJZSA-N 2 0 347.547 3.330 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001481372592 1394214188 /nfs/dbraw/zinc/21/41/88/1394214188.db2.gz JDIZZEIJKOFWMP-FQEVSTJZSA-N 2 0 345.531 3.354 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001490549849 1394252050 /nfs/dbraw/zinc/25/20/50/1394252050.db2.gz KYHQWEOTRWFYGD-SFHVURJKSA-N 2 0 349.563 3.410 10 0 EGAERP O=C(NCC[C@@H]1CC[N@H+](CC2CC2)C1)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001481445308 1394298025 /nfs/dbraw/zinc/29/80/25/1394298025.db2.gz HCFJSNIBJAUZGC-QUCCMNQESA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001698946995 1406686809 /nfs/dbraw/zinc/68/68/09/1406686809.db2.gz RCVDHHNAQJBLMQ-IBMJZYDUSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001490768430 1394330557 /nfs/dbraw/zinc/33/05/57/1394330557.db2.gz NHYPUFYVHVTKCS-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001698949705 1406689639 /nfs/dbraw/zinc/68/96/39/1406689639.db2.gz JLGIDTQXKRVLEY-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCCCCC1)[NH+](CC)CC ZINC001481678674 1394444207 /nfs/dbraw/zinc/44/42/07/1394444207.db2.gz VVGPKGMRDHCWSM-SLFFLAALSA-N 2 0 349.563 3.362 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001491185007 1394462287 /nfs/dbraw/zinc/46/22/87/1394462287.db2.gz OHPJMQJWMFMCDI-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001491229562 1394485502 /nfs/dbraw/zinc/48/55/02/1394485502.db2.gz IHTMMHWJRLOABR-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001491683304 1394526109 /nfs/dbraw/zinc/52/61/09/1394526109.db2.gz RYFHCXWCRZGCJF-FXAWDEMLSA-N 2 0 345.531 3.108 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CCC1CCCCC1 ZINC001481880502 1394574710 /nfs/dbraw/zinc/57/47/10/1394574710.db2.gz FXJPASGNFJVNOO-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CCC1CCCCC1 ZINC001481880501 1394574766 /nfs/dbraw/zinc/57/47/66/1394574766.db2.gz FXJPASGNFJVNOO-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001481897124 1394584906 /nfs/dbraw/zinc/58/49/06/1394584906.db2.gz OWAMDROVUPWEBQ-KRWDZBQOSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481964092 1394625649 /nfs/dbraw/zinc/62/56/49/1394625649.db2.gz OGISXPBJOXRSTG-GHTZIAJQSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481981198 1394642428 /nfs/dbraw/zinc/64/24/28/1394642428.db2.gz LMVSAWXYZQLOBW-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001481989608 1394650660 /nfs/dbraw/zinc/65/06/60/1394650660.db2.gz MHKILBKOAABPEE-AJEASFTHSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCCC2CCC2)CC1)[NH+](C)C ZINC001482017357 1394674554 /nfs/dbraw/zinc/67/45/54/1394674554.db2.gz YCGRZDGKDLOEOJ-FHWLQOOXSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1cccc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)c1 ZINC001482027160 1394685831 /nfs/dbraw/zinc/68/58/31/1394685831.db2.gz ZLTHGDQGFCUAIX-MXVIHJGJSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)CC[NH2+]Cc1ccc(CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001482035704 1394696277 /nfs/dbraw/zinc/69/62/77/1394696277.db2.gz LAQGHKQXSVQGDI-QZTJIDSGSA-N 2 0 345.531 3.311 10 0 EGAERP CC/C=C/CC[NH+]1CCC(CCNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001482049970 1394712582 /nfs/dbraw/zinc/71/25/82/1394712582.db2.gz IUUFCCSDABBMJG-SHTLVRLNSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001482422749 1394984892 /nfs/dbraw/zinc/98/48/92/1394984892.db2.gz GSCKPGBIQRYVFN-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001482436628 1394997541 /nfs/dbraw/zinc/99/75/41/1394997541.db2.gz KXTKGWDYSBSQOE-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001482459046 1395017104 /nfs/dbraw/zinc/01/71/04/1395017104.db2.gz SBHZTSOYRDCXFQ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007297 1395181551 /nfs/dbraw/zinc/18/15/51/1395181551.db2.gz BGCYYNCNLXHOFG-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001484138647 1395275412 /nfs/dbraw/zinc/27/54/12/1395275412.db2.gz ICAVABFSXYNKPK-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCC2CCCC2)C1 ZINC001484151937 1395288244 /nfs/dbraw/zinc/28/82/44/1395288244.db2.gz HTBGLYVYNBOPGC-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170392 1395309059 /nfs/dbraw/zinc/30/90/59/1395309059.db2.gz PGFZQRBACAMEDX-ICSRJNTNSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484170835 1395311681 /nfs/dbraw/zinc/31/16/81/1395311681.db2.gz ZMHMXTLTZBTMPS-RMUOZIPVSA-N 2 0 349.563 3.293 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484358988 1395345190 /nfs/dbraw/zinc/34/51/90/1395345190.db2.gz QKBMWVQFTMPVOZ-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484811969 1395547528 /nfs/dbraw/zinc/54/75/28/1395547528.db2.gz GAFHVLNPFUGVDQ-IEBWSBKVSA-N 2 0 347.547 3.188 10 0 EGAERP CC[NH2+]C1(CC)CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001484818958 1395552662 /nfs/dbraw/zinc/55/26/62/1395552662.db2.gz FDFWVMNLFRKBOS-SFHVURJKSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001484832672 1395569881 /nfs/dbraw/zinc/56/98/81/1395569881.db2.gz XZQYGEYCVJOYHC-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001484874551 1395576983 /nfs/dbraw/zinc/57/69/83/1395576983.db2.gz SYULPFVKYVZZQL-JXFKEZNVSA-N 2 0 345.531 3.251 10 0 EGAERP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001485211975 1395707955 /nfs/dbraw/zinc/70/79/55/1395707955.db2.gz MMDSFJNNXYHIHV-HOTGVXAUSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+](C)CC1=CCCCC1 ZINC001485332854 1395804692 /nfs/dbraw/zinc/80/46/92/1395804692.db2.gz UAPZKCQYUQVSOO-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)[N@H+](C)CC1=CCCCC1 ZINC001485332853 1395805460 /nfs/dbraw/zinc/80/54/60/1395805460.db2.gz UAPZKCQYUQVSOO-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC001485667399 1396096962 /nfs/dbraw/zinc/09/69/62/1396096962.db2.gz HSJKFRFENYJZAR-SESVDKBCSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCCC3CCC3)C[C@]2(C)C1 ZINC001485669592 1396098427 /nfs/dbraw/zinc/09/84/27/1396098427.db2.gz GPIJVNTUSSQIHH-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC(C)C1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001485722485 1396117650 /nfs/dbraw/zinc/11/76/50/1396117650.db2.gz KWFSVVXOLASOCO-LXPRWKDFSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H]([NH2+]CCC[C@@H](C)NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001485736009 1396122813 /nfs/dbraw/zinc/12/28/13/1396122813.db2.gz MUFGZSSITKLMPS-YLJYHZDGSA-N 2 0 345.531 3.354 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001485960202 1396174085 /nfs/dbraw/zinc/17/40/85/1396174085.db2.gz BKQLVNLDUPEHMD-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001486208231 1396182299 /nfs/dbraw/zinc/18/22/99/1396182299.db2.gz OPTXMQXILRATQH-SJORKVTESA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486248576 1396188953 /nfs/dbraw/zinc/18/89/53/1396188953.db2.gz XIGUQXTVJQINFX-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001501390015 1396192459 /nfs/dbraw/zinc/19/24/59/1396192459.db2.gz DZHSNSRZXBYOSA-OTWHNJEPSA-N 2 0 349.563 3.218 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001501390012 1396192930 /nfs/dbraw/zinc/19/29/30/1396192930.db2.gz DZHSNSRZXBYOSA-FHWLQOOXSA-N 2 0 349.563 3.218 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1[NH2+]CCCC1CCCC1 ZINC001502734809 1396223404 /nfs/dbraw/zinc/22/34/04/1396223404.db2.gz LDKMPPUMZHZIRO-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1=CCCCC1 ZINC001492098091 1396304080 /nfs/dbraw/zinc/30/40/80/1396304080.db2.gz FZQJXJFIZICNHS-QGZVFWFLSA-N 2 0 343.515 3.347 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC1CCCC1 ZINC001492144311 1396308844 /nfs/dbraw/zinc/30/88/44/1396308844.db2.gz VDLZGQYKBYLDDT-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492369508 1396321543 /nfs/dbraw/zinc/32/15/43/1396321543.db2.gz HWTLMUUSOAJRLU-SFHVURJKSA-N 2 0 331.504 3.060 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001494081742 1396356248 /nfs/dbraw/zinc/35/62/48/1396356248.db2.gz BZMLKLSSZYPCOO-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494148320 1396383729 /nfs/dbraw/zinc/38/37/29/1396383729.db2.gz CFJSETZZPDEHSB-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001494925279 1396509140 /nfs/dbraw/zinc/50/91/40/1396509140.db2.gz PSOIDVIRWYEPHP-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001495481732 1396536616 /nfs/dbraw/zinc/53/66/16/1396536616.db2.gz LUHGUYWOCYAPLN-VAMGGRTRSA-N 2 0 349.563 3.480 10 0 EGAERP C[C@H](C[NH2+]CC1CCC2(CC2)CC1)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC001496104863 1396601475 /nfs/dbraw/zinc/60/14/75/1396601475.db2.gz YUJPUXCIDHGYGD-QGZVFWFLSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C/Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001496294261 1396636824 /nfs/dbraw/zinc/63/68/24/1396636824.db2.gz LKIHJEFGDJPWDF-DGEHHSODSA-N 2 0 343.943 3.122 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001496312332 1396643975 /nfs/dbraw/zinc/64/39/75/1396643975.db2.gz PKFQZMCPDFXNTJ-WOJBJXKFSA-N 2 0 349.563 3.457 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001496366162 1396670037 /nfs/dbraw/zinc/67/00/37/1396670037.db2.gz AJTIGFHFONVJOU-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CCCCC1 ZINC001496560428 1396715369 /nfs/dbraw/zinc/71/53/69/1396715369.db2.gz BXBDDXOYSQJVTC-QRQLOZEOSA-N 2 0 337.552 3.027 10 0 EGAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)c1sccc1C[NH+](C)C ZINC001496713516 1396722815 /nfs/dbraw/zinc/72/28/15/1396722815.db2.gz FBCLPVKECDSIPW-UHFFFAOYSA-N 2 0 339.549 3.250 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C)C1 ZINC001497255906 1396739589 /nfs/dbraw/zinc/73/95/89/1396739589.db2.gz OFNDRVMTAKNFQB-SJORKVTESA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[N@H+](C)CCC(C)(C)C)[NH+]1CCCCC1 ZINC001699011308 1406842552 /nfs/dbraw/zinc/84/25/52/1406842552.db2.gz UWIIPIGPAVLAPR-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585871 1396771055 /nfs/dbraw/zinc/77/10/55/1396771055.db2.gz NOKSHUMYPOVXJX-YBHDSAFLSA-N 2 0 349.906 3.003 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCCCCC1 ZINC001497761990 1396831689 /nfs/dbraw/zinc/83/16/89/1396831689.db2.gz DOHRMYUHVCBUPD-CSHXORCISA-N 2 0 335.536 3.093 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001497993003 1396906888 /nfs/dbraw/zinc/90/68/88/1396906888.db2.gz LXWFOOXUYDWDSY-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001498129921 1396923295 /nfs/dbraw/zinc/92/32/95/1396923295.db2.gz IUVOQKDRQLZDDO-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCCC3)[C@@H]2C1(C)C ZINC001689146798 1396947745 /nfs/dbraw/zinc/94/77/45/1396947745.db2.gz NOIZVCMWXUNTLE-SXLOBPIMSA-N 2 0 349.563 3.124 10 0 EGAERP CCCC[N@@H+]1CC[C@H](c2ccccc2)[C@H](NC(=O)C[NH+](C)C(C)C)C1 ZINC001689153020 1396952095 /nfs/dbraw/zinc/95/20/95/1396952095.db2.gz GWYUBAGVVRJFCK-WOJBJXKFSA-N 2 0 345.531 3.101 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1CCCC(C)(C)C ZINC001689176808 1396960036 /nfs/dbraw/zinc/96/00/36/1396960036.db2.gz LUDYTWYKQZPKBL-KSZLIROESA-N 2 0 339.568 3.368 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1cccc(C)c1 ZINC001689186531 1396962934 /nfs/dbraw/zinc/96/29/34/1396962934.db2.gz OJQMILZZTDDLLE-XUVXKRRUSA-N 2 0 345.531 3.050 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@@H]([NH2+]C/C=C/Cl)C1)[NH+](CC)CC ZINC001689267397 1396998680 /nfs/dbraw/zinc/99/86/80/1396998680.db2.gz JDUOJPCXUWJLPO-NUKLPVDDSA-N 2 0 343.943 3.220 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCF)C1)c1ccccc1 ZINC001689272195 1397008697 /nfs/dbraw/zinc/00/86/97/1397008697.db2.gz XRUQJBRKEGNXDU-RBUKOAKNSA-N 2 0 349.494 3.010 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCC1CCCC1 ZINC001689318395 1397035197 /nfs/dbraw/zinc/03/51/97/1397035197.db2.gz IADLAJWOAQDAEY-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2c(C)cc(C)cc2C)[C@@H]1C)[NH+](C)C ZINC001689318857 1397035938 /nfs/dbraw/zinc/03/59/38/1397035938.db2.gz SIQOTOXGOOWTKN-HOJAQTOUSA-N 2 0 345.531 3.031 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001689363260 1403701517 /nfs/dbraw/zinc/70/15/17/1403701517.db2.gz QBZRVRBLXZLIIL-LKGOPFMKSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](F)C[N@@H+]1CC[C@@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365348 1403705092 /nfs/dbraw/zinc/70/50/92/1403705092.db2.gz DJWSSNISXSUQPT-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC1CCCCCC1 ZINC001689813557 1404152450 /nfs/dbraw/zinc/15/24/50/1404152450.db2.gz VNBZYGGTWJLUMS-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001690193282 1404399359 /nfs/dbraw/zinc/39/93/59/1404399359.db2.gz XPPFZBSRRFBAHZ-RGOVZJGCSA-N 2 0 349.563 3.243 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690436977 1404559997 /nfs/dbraw/zinc/55/99/97/1404559997.db2.gz UKAGVILNZNTUNM-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001690457898 1404587058 /nfs/dbraw/zinc/58/70/58/1404587058.db2.gz ULQQERXRDDFYGH-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]Cc1ccsc1 ZINC001690487575 1404602281 /nfs/dbraw/zinc/60/22/81/1404602281.db2.gz YJHIDDSOXQKDGF-GOSISDBHSA-N 2 0 349.544 3.095 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001690498791 1404611560 /nfs/dbraw/zinc/61/15/60/1404611560.db2.gz LYUWBNUHBDLESH-DHJFXDNESA-N 2 0 347.547 3.188 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001690772068 1404721517 /nfs/dbraw/zinc/72/15/17/1404721517.db2.gz NNGUJVVAEGFIPP-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCC1 ZINC001725493487 1426171515 /nfs/dbraw/zinc/17/15/15/1426171515.db2.gz FOOHRCNHKGQHJQ-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001691037099 1404945662 /nfs/dbraw/zinc/94/56/62/1404945662.db2.gz CBOARUPBQHFPJP-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691082348 1405015937 /nfs/dbraw/zinc/01/59/37/1405015937.db2.gz IJMDWQNVMKZSPD-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691304840 1405199007 /nfs/dbraw/zinc/19/90/07/1405199007.db2.gz GQHXXIODRBAZRT-YHTLKTDXSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001691402550 1405239975 /nfs/dbraw/zinc/23/99/75/1405239975.db2.gz NBWQABXWVJYYTG-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[N@@H+](C)CCC ZINC001691429082 1405263122 /nfs/dbraw/zinc/26/31/22/1405263122.db2.gz UTYFDMKUKQFKQJ-MNFUMMEQSA-N 2 0 349.563 3.290 10 0 EGAERP CC1CCC(C[NH2+][C@H]2C[C@@H](CNC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001691481497 1405295632 /nfs/dbraw/zinc/29/56/32/1405295632.db2.gz MMUFMGZVLHLJNC-KHSMEXAKSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691500976 1405306161 /nfs/dbraw/zinc/30/61/61/1405306161.db2.gz ARHYHBJPGXWBGT-BZSNNMDCSA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691541020 1405330951 /nfs/dbraw/zinc/33/09/51/1405330951.db2.gz LEKBHSHXSMLLPA-MKXGPGLRSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001691629287 1405367414 /nfs/dbraw/zinc/36/74/14/1405367414.db2.gz KXOHTMJEUOZGOV-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001731416226 1427386023 /nfs/dbraw/zinc/38/60/23/1427386023.db2.gz KJCUOYALJFBPDJ-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@@H](CC)[NH+](CC)CC)C2)CC1 ZINC001691960143 1405677562 /nfs/dbraw/zinc/67/75/62/1405677562.db2.gz LOVYWJVMEPBOEL-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001691976206 1405691142 /nfs/dbraw/zinc/69/11/42/1405691142.db2.gz PBGGWPNOSGUWHZ-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP C[N@H+](CCC(=O)N1CCCCC[C@@H]([NH2+]CC2CC2)C1)C1CCCCC1 ZINC001692123988 1405785264 /nfs/dbraw/zinc/78/52/64/1405785264.db2.gz HAQUNDCLMWTWGQ-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCCC1 ZINC001692257555 1405885440 /nfs/dbraw/zinc/88/54/40/1405885440.db2.gz IJQVIBADNOVCTI-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2C[NH+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001692286011 1405920413 /nfs/dbraw/zinc/92/04/13/1405920413.db2.gz JTSGMMQBAWBHES-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CN(CC[NH2+]C/C=C\c1ccccc1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731911998 1428168126 /nfs/dbraw/zinc/16/81/26/1428168126.db2.gz XOLQBQKQSHQCRR-RAXLEYEMSA-N 2 0 343.515 3.012 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001698573391 1406179209 /nfs/dbraw/zinc/17/92/09/1406179209.db2.gz CVDKAUZICCKLIA-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001698581819 1406194387 /nfs/dbraw/zinc/19/43/87/1406194387.db2.gz OLBBRWGTAWMTCI-PXEQJPNCSA-N 2 0 335.536 3.138 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698585142 1406200548 /nfs/dbraw/zinc/20/05/48/1406200548.db2.gz KZPGXDZELZAVAL-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698601980 1406227642 /nfs/dbraw/zinc/22/76/42/1406227642.db2.gz XZTMABDXTPHVRT-IEBWSBKVSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001732021128 1428238575 /nfs/dbraw/zinc/23/85/75/1428238575.db2.gz BLEMTWKFUQMVIP-LJQANCHMSA-N 2 0 345.531 3.495 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732022469 1428239923 /nfs/dbraw/zinc/23/99/23/1428239923.db2.gz KGHZGUIAYODHSE-LJQANCHMSA-N 2 0 341.499 3.028 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001732060943 1428310166 /nfs/dbraw/zinc/31/01/66/1428310166.db2.gz JGRWZAVESFKLAY-WLMAVBAVSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CCCC2CCCC2)C1 ZINC001732082675 1428339369 /nfs/dbraw/zinc/33/93/69/1428339369.db2.gz DYUMAWYSEJCGCT-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001732088453 1428351569 /nfs/dbraw/zinc/35/15/69/1428351569.db2.gz LZBXTZQKVLDWRR-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732149955 1428392945 /nfs/dbraw/zinc/39/29/45/1428392945.db2.gz QNZRKUMWQCPWLQ-GUKTUGNZSA-N 2 0 347.547 3.282 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001732166063 1428408709 /nfs/dbraw/zinc/40/87/09/1428408709.db2.gz UKTAJFBBGJNMCR-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001732224535 1428473118 /nfs/dbraw/zinc/47/31/18/1428473118.db2.gz TWNXRSKKEPXUBC-LJQANCHMSA-N 2 0 345.531 3.282 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732287222 1428514992 /nfs/dbraw/zinc/51/49/92/1428514992.db2.gz VNRRHDLNWBLHEN-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001732302738 1428520250 /nfs/dbraw/zinc/52/02/50/1428520250.db2.gz CZXPYTIGBSVUPP-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001732307648 1428522596 /nfs/dbraw/zinc/52/25/96/1428522596.db2.gz INCPXFBEQIFMTO-RDSHDKLTSA-N 2 0 347.547 3.092 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)C2(C[NH+](C)C)CCCCC2)cc1 ZINC001732317691 1428528512 /nfs/dbraw/zinc/52/85/12/1428528512.db2.gz OLYFBSGBAAPRNB-UHFFFAOYSA-N 2 0 345.531 3.315 10 0 EGAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CC1=CCCCC1 ZINC001732372011 1428553052 /nfs/dbraw/zinc/55/30/52/1428553052.db2.gz KRLSAPCLWNSARN-QGZVFWFLSA-N 2 0 343.515 3.204 10 0 EGAERP CC[C@H](F)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001732396097 1428563672 /nfs/dbraw/zinc/56/36/72/1428563672.db2.gz GRZORSWZCRGAOM-IRXDYDNUSA-N 2 0 341.515 3.016 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001732423115 1428575025 /nfs/dbraw/zinc/57/50/25/1428575025.db2.gz OOHRVPQUIWXZRG-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C)c(C)c1 ZINC001732423116 1428575100 /nfs/dbraw/zinc/57/51/00/1428575100.db2.gz OOHRVPQUIWXZRG-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001732424046 1428575266 /nfs/dbraw/zinc/57/52/66/1428575266.db2.gz XGQREZNLUSKYRO-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001732469664 1428598496 /nfs/dbraw/zinc/59/84/96/1428598496.db2.gz LSZRUOQMEXNEQN-HXUWFJFHSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001732490591 1428613616 /nfs/dbraw/zinc/61/36/16/1428613616.db2.gz NQUDSPNWVITBKB-MJGOQNOKSA-N 2 0 349.563 3.432 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001732514581 1428633941 /nfs/dbraw/zinc/63/39/41/1428633941.db2.gz MNFWLZGAIPKZIQ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001732516224 1428635107 /nfs/dbraw/zinc/63/51/07/1428635107.db2.gz IPNCZDQDRKUAOX-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]CC2CCCCC2)ccc2c[nH+]cn21 ZINC001699113115 1412515696 /nfs/dbraw/zinc/51/56/96/1412515696.db2.gz QVIFXRYYDXVVQR-OAHLLOKOSA-N 2 0 342.487 3.321 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001699273613 1412608662 /nfs/dbraw/zinc/60/86/62/1412608662.db2.gz YCRIUTVNDCWDAA-PHWHVTFISA-N 2 0 349.563 3.339 10 0 EGAERP C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001699443821 1412775070 /nfs/dbraw/zinc/77/50/70/1412775070.db2.gz BCYWHUOSTVWWJO-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001699449644 1412786897 /nfs/dbraw/zinc/78/68/97/1412786897.db2.gz GGAGZCICTILBGX-AQFXKWCLSA-N 2 0 337.552 3.122 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001699453397 1412795654 /nfs/dbraw/zinc/79/56/54/1412795654.db2.gz LPZBXIHMFZLRRG-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)N(C)CCC[NH2+]CCC2CCCCC2)CC1 ZINC001699542792 1412914894 /nfs/dbraw/zinc/91/48/94/1412914894.db2.gz WERNURZICOSMSJ-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001699545634 1412916347 /nfs/dbraw/zinc/91/63/47/1412916347.db2.gz XSFVVSGCWFIQAZ-SFHVURJKSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001699581094 1412937294 /nfs/dbraw/zinc/93/72/94/1412937294.db2.gz UVMNKNXBCCEWPI-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001699605349 1412968687 /nfs/dbraw/zinc/96/86/87/1412968687.db2.gz IJFAGNCOLJWTJQ-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([C@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001699677684 1413073077 /nfs/dbraw/zinc/07/30/77/1413073077.db2.gz XVFROGUBQSDHCZ-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@H+](CC1CC1)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001699690103 1413093899 /nfs/dbraw/zinc/09/38/99/1413093899.db2.gz ZYQXCWMTKQRAOF-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001699695105 1413103864 /nfs/dbraw/zinc/10/38/64/1413103864.db2.gz LAKUYOPAYGYZFR-AZUAARDMSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001699738974 1413150090 /nfs/dbraw/zinc/15/00/90/1413150090.db2.gz SFBDYMJHMXRUQB-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@H](C)C1 ZINC001699741983 1413152831 /nfs/dbraw/zinc/15/28/31/1413152831.db2.gz DOPMTYNQZCHAAT-VQIMIIECSA-N 2 0 331.504 3.131 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(C)c1)[NH+](CC)CC ZINC001699759323 1413165456 /nfs/dbraw/zinc/16/54/56/1413165456.db2.gz UYWUCSXRBBCTMR-VQTJNVASSA-N 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C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CCC[N@H+](C)CC1=CCCCC1 ZINC001700195479 1413634746 /nfs/dbraw/zinc/63/47/46/1413634746.db2.gz NXYABTCXFYLTIX-ROUUACIJSA-N 2 0 335.536 3.140 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001700221250 1413667888 /nfs/dbraw/zinc/66/78/88/1413667888.db2.gz LCOFQHZFXGUFHP-UCFODXPJSA-N 2 0 349.563 3.435 10 0 EGAERP CCC1([NH2+]Cc2ccc(C)cc2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001700224397 1413675103 /nfs/dbraw/zinc/67/51/03/1413675103.db2.gz DNHJYBRERFSOAA-UHFFFAOYSA-N 2 0 345.531 3.196 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001700280939 1413726319 /nfs/dbraw/zinc/72/63/19/1413726319.db2.gz DCZXZIZCFFLHCL-AATRIKPKSA-N 2 0 332.492 3.059 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001700362965 1413880712 /nfs/dbraw/zinc/88/07/12/1413880712.db2.gz NKEAROQILZAILJ-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCCC1 ZINC001732571403 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335.536 3.044 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700575749 1414250578 /nfs/dbraw/zinc/25/05/78/1414250578.db2.gz YVRZTEUFPSJAIN-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@]2(C)C1 ZINC001700623487 1414295063 /nfs/dbraw/zinc/29/50/63/1414295063.db2.gz ITDVWHBZJXCIIN-SESVDKBCSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CC(C[NH2+]C[C@H]2C[C@H](NC(=O)CC[N@H+](C)C3CCCCC3)C2)C1 ZINC001700636478 1414303476 /nfs/dbraw/zinc/30/34/76/1414303476.db2.gz LSTNGUJLLHZAAW-NZKYNAJMSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001700662505 1414322325 /nfs/dbraw/zinc/32/23/25/1414322325.db2.gz UEBZBQIPHZFZHF-YQVWRLOYSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001700769865 1414447593 /nfs/dbraw/zinc/44/75/93/1414447593.db2.gz FMHXXWCEXPWBQA-ZWKOTPCHSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001700781010 1414463172 /nfs/dbraw/zinc/46/31/72/1414463172.db2.gz QZRBMGSRCQWNOU-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2C[C@H]([NH2+]CCCC3CCC3)C[C@H]2C)CC1 ZINC001700850760 1414499259 /nfs/dbraw/zinc/49/92/59/1414499259.db2.gz SRYHWOVWCPDXSJ-YLJYHZDGSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001700869888 1414523515 /nfs/dbraw/zinc/52/35/15/1414523515.db2.gz WSHHOHWBNJPBLX-GHTZIAJQSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001700926537 1414579734 /nfs/dbraw/zinc/57/97/34/1414579734.db2.gz MSCQJVBQCWLLST-MZIIKBMYSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CCC1 ZINC001700986718 1414628685 /nfs/dbraw/zinc/62/86/85/1414628685.db2.gz BUGMFXRDYCOCOA-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001700999615 1414651334 /nfs/dbraw/zinc/65/13/34/1414651334.db2.gz ZAXYXNOJHIOXOD-MJGOQNOKSA-N 2 0 347.547 3.437 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001732604849 1428858240 /nfs/dbraw/zinc/85/82/40/1428858240.db2.gz GJFSFLROTDVUDY-JNVNVXKGSA-N 2 0 349.563 3.243 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732735067 1428935796 /nfs/dbraw/zinc/93/57/96/1428935796.db2.gz USQXCGAAKGNHCC-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@H](C)CC[NH2+]Cc1cc2ccccc2s1 ZINC001732754633 1428949633 /nfs/dbraw/zinc/94/96/33/1428949633.db2.gz OMLVMRKIACBZPN-OAHLLOKOSA-N 2 0 347.528 3.226 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)C12CCC[NH+]1CCC2 ZINC001732784187 1428968899 /nfs/dbraw/zinc/96/88/99/1428968899.db2.gz XEVKUZMRCZOFOA-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001733003005 1429124314 /nfs/dbraw/zinc/12/43/14/1429124314.db2.gz NKLWLCAESXUCNU-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001733009375 1429129339 /nfs/dbraw/zinc/12/93/39/1429129339.db2.gz IBPLFMMRUUSELB-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001707113778 1417206512 /nfs/dbraw/zinc/20/65/12/1417206512.db2.gz BZOYBTUKGVPLFD-YSIASYRMSA-N 2 0 349.563 3.173 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)(C)C)C2)CC1 ZINC001707116121 1417207963 /nfs/dbraw/zinc/20/79/63/1417207963.db2.gz HVNPHBAWECECRC-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC(C)CC2)C1 ZINC001707119581 1417208939 /nfs/dbraw/zinc/20/89/39/1417208939.db2.gz KXQRBEQCNSVRQK-WZOJCFFYSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001707146725 1417221744 /nfs/dbraw/zinc/22/17/44/1417221744.db2.gz VXCFBZSDQPTYBK-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001707182514 1417233196 /nfs/dbraw/zinc/23/31/96/1417233196.db2.gz AYERMIZZMQGXEQ-WMMLAINDSA-N 2 0 349.563 3.290 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001707231870 1417253785 /nfs/dbraw/zinc/25/37/85/1417253785.db2.gz ASRGPINBZHXQRD-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CCC[C@H](CC[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001707381527 1417303800 /nfs/dbraw/zinc/30/38/00/1417303800.db2.gz QHHCDEUOKQYSFL-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001707410313 1417321594 /nfs/dbraw/zinc/32/15/94/1417321594.db2.gz UISFKWOSJCIHMV-GOSISDBHSA-N 2 0 347.547 3.472 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCC2CCCC2)C1 ZINC001733049189 1429184464 /nfs/dbraw/zinc/18/44/64/1429184464.db2.gz ILDUEUSVDJYINA-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCC2=CCCCC2)C1 ZINC001733049763 1429186670 /nfs/dbraw/zinc/18/66/70/1429186670.db2.gz MUUJWENUKUYKGU-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cc(C)cc(C[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001712952033 1417510503 /nfs/dbraw/zinc/51/05/03/1417510503.db2.gz GPWYWXBBJOGJBZ-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)(C)CC[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001713039129 1417589748 /nfs/dbraw/zinc/58/97/48/1417589748.db2.gz RSKZPWBQWZQYIN-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001713101884 1417655962 /nfs/dbraw/zinc/65/59/62/1417655962.db2.gz FBJZHKFSBSEHJK-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001713102165 1417656884 /nfs/dbraw/zinc/65/68/84/1417656884.db2.gz OFJDCKDEPKIEBX-IEBWSBKVSA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001713113014 1417675569 /nfs/dbraw/zinc/67/55/69/1417675569.db2.gz ULZBYSXIYPPGKE-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713143956 1417725924 /nfs/dbraw/zinc/72/59/24/1417725924.db2.gz QHRDPRBGLOODQD-VGIQHARFSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001713144532 1417727694 /nfs/dbraw/zinc/72/76/94/1417727694.db2.gz ZVCNCUXGDXIPKI-CEXWTWQISA-N 2 0 335.536 3.115 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001713174746 1417747841 /nfs/dbraw/zinc/74/78/41/1417747841.db2.gz DXOHPUAHFADYQM-IYARVYRRSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001713201458 1417771964 /nfs/dbraw/zinc/77/19/64/1417771964.db2.gz UABCROADFGVBMX-FZDIXFNVSA-N 2 0 349.494 3.244 10 0 EGAERP CC[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001713208229 1417778753 /nfs/dbraw/zinc/77/87/53/1417778753.db2.gz GAYSLTGDBKHYSY-HSALFYBXSA-N 2 0 343.515 3.251 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713240277 1417826112 /nfs/dbraw/zinc/82/61/12/1417826112.db2.gz GHGSIYRAOQJPHC-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001713256451 1417856920 /nfs/dbraw/zinc/85/69/20/1417856920.db2.gz GVSGVHMWIQNPEJ-RRFGBZISSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CCC(C)C ZINC001713271562 1417884694 /nfs/dbraw/zinc/88/46/94/1417884694.db2.gz KVISTPFIMUAXRK-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382161 1417992456 /nfs/dbraw/zinc/99/24/56/1417992456.db2.gz OLRDUEHKXZOSBI-IAGOWNOFSA-N 2 0 325.541 3.170 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713396202 1418012325 /nfs/dbraw/zinc/01/23/25/1418012325.db2.gz XGTMWONYAYDTLD-HPFMTEOYSA-N 2 0 335.536 3.140 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001713437959 1418070586 /nfs/dbraw/zinc/07/05/86/1418070586.db2.gz RSLSXZCFGFWHTD-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001733101916 1429242915 /nfs/dbraw/zinc/24/29/15/1429242915.db2.gz UMFLLEZDWLOXGR-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001713666847 1418422430 /nfs/dbraw/zinc/42/24/30/1418422430.db2.gz FTMSQHAOZUIDJE-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP CCCC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001713677956 1418429749 /nfs/dbraw/zinc/42/97/49/1418429749.db2.gz RECDZQAWRJELOK-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001713719760 1418490225 /nfs/dbraw/zinc/49/02/25/1418490225.db2.gz HDGNJULBUHSUFS-MJGOQNOKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001713738716 1418537650 /nfs/dbraw/zinc/53/76/50/1418537650.db2.gz KMAQCNRFVSZVGS-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001713765975 1418578724 /nfs/dbraw/zinc/57/87/24/1418578724.db2.gz IIKNXPZZBOWSDI-INIZCTEOSA-N 2 0 349.494 3.009 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CCCC2CCCC2)CC1 ZINC001713765752 1418579167 /nfs/dbraw/zinc/57/91/67/1418579167.db2.gz CZBCWVYAIIQDPQ-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC2CCCCCC2)CC1 ZINC001713766127 1418579872 /nfs/dbraw/zinc/57/98/72/1418579872.db2.gz NXKVPXCPBKXCGI-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001713849222 1418645199 /nfs/dbraw/zinc/64/51/99/1418645199.db2.gz FCCFDQMIIBOYFX-VOFKWLDRSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713868813 1418665918 /nfs/dbraw/zinc/66/59/18/1418665918.db2.gz UXWXNNZDPPRPSQ-RBUKOAKNSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001713897312 1418695805 /nfs/dbraw/zinc/69/58/05/1418695805.db2.gz QHWCLJMTDYLVET-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001713951515 1418735292 /nfs/dbraw/zinc/73/52/92/1418735292.db2.gz YTCYMVBIYUQLCF-BJLQDIEVSA-N 2 0 347.547 3.211 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714005431 1418785046 /nfs/dbraw/zinc/78/50/46/1418785046.db2.gz GAJWBZGYERIWLF-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001714063938 1418860921 /nfs/dbraw/zinc/86/09/21/1418860921.db2.gz IXOJKEMJQVQIES-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001714144988 1418948517 /nfs/dbraw/zinc/94/85/17/1418948517.db2.gz OGPPFXLKNPEPIW-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](F)C[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001714145486 1418949652 /nfs/dbraw/zinc/94/96/52/1418949652.db2.gz XDPMZUWOEIGEST-SFHVURJKSA-N 2 0 349.494 3.129 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001733195531 1429297739 /nfs/dbraw/zinc/29/77/39/1429297739.db2.gz CJBZSNQIWBVSAO-AZUAARDMSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001714167173 1418976265 /nfs/dbraw/zinc/97/62/65/1418976265.db2.gz MYTMMHDONAWJKH-VBKZILBWSA-N 2 0 342.487 3.177 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714240388 1419029165 /nfs/dbraw/zinc/02/91/65/1419029165.db2.gz KQQWSHVHFNJIJJ-FXAWDEMLSA-N 2 0 345.531 3.279 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001714313946 1419094492 /nfs/dbraw/zinc/09/44/92/1419094492.db2.gz YPNPORMHNHFWSU-OUUBHVDSSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001714319740 1419098291 /nfs/dbraw/zinc/09/82/91/1419098291.db2.gz QKEFVCVWANKPKC-DEEXUGAQSA-N 2 0 343.515 3.089 10 0 EGAERP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@H]1[NH2+]CCCC(C)C ZINC001733202924 1429308468 /nfs/dbraw/zinc/30/84/68/1429308468.db2.gz TXLJEVZLNBHLFD-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001714346783 1419117135 /nfs/dbraw/zinc/11/71/35/1419117135.db2.gz NVLBPCJYDFPEPM-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001714390158 1419139111 /nfs/dbraw/zinc/13/91/11/1419139111.db2.gz BYPOMYSYUWPCKF-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001714406238 1419147875 /nfs/dbraw/zinc/14/78/75/1419147875.db2.gz GFYDVJINJSLJIC-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418378 1419155424 /nfs/dbraw/zinc/15/54/24/1419155424.db2.gz YYTYDOVHZIBEPY-OALUTQOASA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714442220 1419173890 /nfs/dbraw/zinc/17/38/90/1419173890.db2.gz SSWYGNOELVLDLP-ASIGSXEYSA-N 2 0 335.536 3.140 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001714806753 1419519246 /nfs/dbraw/zinc/51/92/46/1419519246.db2.gz LKPYVSRKTROZSZ-FUTAKVPZSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1)[NH+](C)C ZINC001714849279 1419561145 /nfs/dbraw/zinc/56/11/45/1419561145.db2.gz VKUJCUULIDPJDR-ZWKOTPCHSA-N 2 0 333.520 3.210 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001714862248 1419585729 /nfs/dbraw/zinc/58/57/29/1419585729.db2.gz LSFQONUTXSLQGX-SFHVURJKSA-N 2 0 337.552 3.076 10 0 EGAERP CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001714867851 1419595787 /nfs/dbraw/zinc/59/57/87/1419595787.db2.gz XELOXFQJYOJXST-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001714915178 1419665096 /nfs/dbraw/zinc/66/50/96/1419665096.db2.gz RWFWAIQPDNQEEA-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001714995962 1419728483 /nfs/dbraw/zinc/72/84/83/1419728483.db2.gz CLFSMVLPCHTHMZ-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001715029881 1419762585 /nfs/dbraw/zinc/76/25/85/1419762585.db2.gz RZMDQUKBQLNOQG-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCN(C(=O)C[NH+]1CCC(C)CC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001715044866 1419784878 /nfs/dbraw/zinc/78/48/78/1419784878.db2.gz NSQIHKLDIHMEGU-LJQANCHMSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1F ZINC001715076645 1419811327 /nfs/dbraw/zinc/81/13/27/1419811327.db2.gz VZWMGFLLTUIXSC-FUHWJXTLSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)CCC[NH2+]C[C@]1(NC(=O)C23CC[NH+](CC2)C3)CCCC[C@@H]1C ZINC001715149772 1419894981 /nfs/dbraw/zinc/89/49/81/1419894981.db2.gz WPAQUIBEWKRWQJ-GHTZIAJQSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715190502 1419922588 /nfs/dbraw/zinc/92/25/88/1419922588.db2.gz MMRQODUOLNWRPP-AZUAARDMSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001715204841 1419938904 /nfs/dbraw/zinc/93/89/04/1419938904.db2.gz JOHDITRXUUEYDQ-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001715211148 1419944265 /nfs/dbraw/zinc/94/42/65/1419944265.db2.gz VPEBYXUMOPKNEV-OALUTQOASA-N 2 0 345.531 3.369 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001715349875 1420051080 /nfs/dbraw/zinc/05/10/80/1420051080.db2.gz ACMBBYATLMWVGI-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001715385612 1420082738 /nfs/dbraw/zinc/08/27/38/1420082738.db2.gz KPPAMUXROWREJR-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445563 1420129872 /nfs/dbraw/zinc/12/98/72/1420129872.db2.gz JNZGIUQQFBGZRZ-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445564 1420130120 /nfs/dbraw/zinc/13/01/20/1420130120.db2.gz JNZGIUQQFBGZRZ-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715447469 1420131288 /nfs/dbraw/zinc/13/12/88/1420131288.db2.gz SSGGPTRFIGZJAK-PXPVJAHISA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001715478466 1420157284 /nfs/dbraw/zinc/15/72/84/1420157284.db2.gz DSDXDQWCZKABDE-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@H+](C)CCC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001715484057 1420164061 /nfs/dbraw/zinc/16/40/61/1420164061.db2.gz YDYVYDBAVAPXLI-VOTSOKGWSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](CNC(=O)CC[NH+](C)C)C(C)C)c1 ZINC001715622136 1420268687 /nfs/dbraw/zinc/26/86/87/1420268687.db2.gz QKPXVCPBSVLCOI-HKUYNNGSSA-N 2 0 333.520 3.047 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001715708742 1420304430 /nfs/dbraw/zinc/30/44/30/1420304430.db2.gz PLXSCWSZEOKFMH-INIZCTEOSA-N 2 0 331.504 3.036 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001715730783 1420314713 /nfs/dbraw/zinc/31/47/13/1420314713.db2.gz SAPDBRQTBSSEMS-ICSRJNTNSA-N 2 0 345.531 3.191 10 0 EGAERP CCN(CC[NH2+]CCCC1CCC1)C(=O)c1ccc2c[nH+]cn2c1C ZINC001715748389 1420323321 /nfs/dbraw/zinc/32/33/21/1420323321.db2.gz VLHQXHCRMVJGLZ-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001733259889 1429413116 /nfs/dbraw/zinc/41/31/16/1429413116.db2.gz FHTYPLOKOXCXLJ-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@H]21 ZINC001716051761 1420515725 /nfs/dbraw/zinc/51/57/25/1420515725.db2.gz RGHNHDFGAVNMRP-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001716063180 1420523000 /nfs/dbraw/zinc/52/30/00/1420523000.db2.gz KARMAPVLOLMMBB-MOPGFXCFSA-N 2 0 347.547 3.070 10 0 EGAERP C[C@@H](CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)CC[NH+](C)C ZINC001716172896 1420550907 /nfs/dbraw/zinc/55/09/07/1420550907.db2.gz VUCLJFMYXCVXGA-IRXDYDNUSA-N 2 0 347.547 3.481 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001716178540 1420553362 /nfs/dbraw/zinc/55/33/62/1420553362.db2.gz AVFAZPBEOQASGK-DLBZAZTESA-N 2 0 349.494 3.075 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716235890 1420576180 /nfs/dbraw/zinc/57/61/80/1420576180.db2.gz VGVMAKKRTWRHCY-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001716344137 1420611669 /nfs/dbraw/zinc/61/16/69/1420611669.db2.gz QHGMBGJRGXHCOA-GMMSVRSPSA-N 2 0 337.895 3.003 10 0 EGAERP Cc1ccc(C[NH2+]C/C=C\CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001716351017 1420614147 /nfs/dbraw/zinc/61/41/47/1420614147.db2.gz RKAZXOIJWGRTAZ-PRPIBZDOSA-N 2 0 343.515 3.020 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001716414523 1420644028 /nfs/dbraw/zinc/64/40/28/1420644028.db2.gz IBQZYGBCBBDPPQ-IEBWSBKVSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001716482526 1420700223 /nfs/dbraw/zinc/70/02/23/1420700223.db2.gz LWPXRSLRXXYRSV-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C[N@H+](C)CC1CC(C)(C)C1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716496974 1420722168 /nfs/dbraw/zinc/72/21/68/1420722168.db2.gz HAACWNHZAGGUCG-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001716520646 1420749374 /nfs/dbraw/zinc/74/93/74/1420749374.db2.gz FDNBXQNCRWUIIL-UVEXCMSLSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001716706395 1420860595 /nfs/dbraw/zinc/86/05/95/1420860595.db2.gz OPQNACZFAMQKBH-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001716734263 1420892544 /nfs/dbraw/zinc/89/25/44/1420892544.db2.gz QRKCSJHBKWXHQO-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H](C)C1 ZINC001716763518 1420910253 /nfs/dbraw/zinc/91/02/53/1420910253.db2.gz FQZOZPGEZWHXOW-DOTOQJQBSA-N 2 0 340.471 3.192 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001716787249 1420922540 /nfs/dbraw/zinc/92/25/40/1420922540.db2.gz RXCPCRXSISPTOD-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001716848294 1420976159 /nfs/dbraw/zinc/97/61/59/1420976159.db2.gz ARTMQDUHDTZQDI-WIYYLYMNSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001716876329 1421002035 /nfs/dbraw/zinc/00/20/35/1421002035.db2.gz VFLFRLNQOTUVDM-CTNGQTDRSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CC3CCCC3)C2)CC1 ZINC001716879370 1421004095 /nfs/dbraw/zinc/00/40/95/1421004095.db2.gz XNIZEHYLUHAATP-OAQYLSRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]C(C)C ZINC001716955963 1421050941 /nfs/dbraw/zinc/05/09/41/1421050941.db2.gz UFNIESNKRZPRHB-UXHICEINSA-N 2 0 345.531 3.279 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC001716956388 1421051254 /nfs/dbraw/zinc/05/12/54/1421051254.db2.gz ZXXVEWDEFWERAO-FQEVSTJZSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCCCCC2)C1 ZINC001716975954 1421059294 /nfs/dbraw/zinc/05/92/94/1421059294.db2.gz VIBOUUZKQIHURD-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001716999003 1421068583 /nfs/dbraw/zinc/06/85/83/1421068583.db2.gz NRTYAMBIGUBUTM-BCDXTJNWSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C/CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001716999390 1421069025 /nfs/dbraw/zinc/06/90/25/1421069025.db2.gz CDHFHFKMSMOVGQ-WPNHUXKJSA-N 2 0 347.547 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2C[N@H+](CC3CC(C)(C)C3)C[C@H]21 ZINC001717042677 1421097213 /nfs/dbraw/zinc/09/72/13/1421097213.db2.gz BODQFLZLPTXVNX-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCCC[NH+]1CCC2(CN(C(=O)C3(C[NH+](C)C)CCCCC3)C2)CC1 ZINC001717129367 1421130657 /nfs/dbraw/zinc/13/06/57/1421130657.db2.gz IFNIPOUJPSGPSL-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCC1)CC(C)(C)C ZINC001717157537 1421146709 /nfs/dbraw/zinc/14/67/09/1421146709.db2.gz PCOYJQOXMVVHPU-FGTMMUONSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CCCC2)CC1)[NH+]1CCCC1 ZINC001717201752 1421169964 /nfs/dbraw/zinc/16/99/64/1421169964.db2.gz GLWHIIXIOWHQTA-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC001717202153 1421170317 /nfs/dbraw/zinc/17/03/17/1421170317.db2.gz NNIBBKICCARLPK-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001717238251 1421206308 /nfs/dbraw/zinc/20/63/08/1421206308.db2.gz OPNKVSJPLBXFLH-SFHVURJKSA-N 2 0 335.536 3.164 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001717241828 1421210359 /nfs/dbraw/zinc/21/03/59/1421210359.db2.gz AVAWIDHXMQNJLZ-HDICACEKSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001717297796 1421240987 /nfs/dbraw/zinc/24/09/87/1421240987.db2.gz IVEPCFDJHDABGK-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CCCCCC1 ZINC001717338093 1421275061 /nfs/dbraw/zinc/27/50/61/1421275061.db2.gz QCNVXILPBIMKEZ-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001717341455 1421279220 /nfs/dbraw/zinc/27/92/20/1421279220.db2.gz AQSSWWIRZFAVDS-OVWQWFNUSA-N 2 0 349.494 3.101 10 0 EGAERP CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001717344783 1421284469 /nfs/dbraw/zinc/28/44/69/1421284469.db2.gz YKIJPQJXMHPXIE-PMACEKPBSA-N 2 0 345.531 3.232 10 0 EGAERP CCC/C=C\CC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001717354597 1421288726 /nfs/dbraw/zinc/28/87/26/1421288726.db2.gz HFJZLWDAJOODMY-WHXUGTBJSA-N 2 0 349.563 3.388 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001717366960 1421302184 /nfs/dbraw/zinc/30/21/84/1421302184.db2.gz AFGKORHIKZZESO-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC001717430629 1421359373 /nfs/dbraw/zinc/35/93/73/1421359373.db2.gz INDOVDBRJOPUJI-RBUKOAKNSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717447102 1421376924 /nfs/dbraw/zinc/37/69/24/1421376924.db2.gz OIWYJGGXCSXDRK-AOCRQIFASA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[NH+](CC2=CCCCC2)CC1(C)C ZINC001717582351 1421508124 /nfs/dbraw/zinc/50/81/24/1421508124.db2.gz HHCXXFWOZFOYEX-OALUTQOASA-N 2 0 347.547 3.188 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1C[NH+](CC2=CCCCC2)CC1(C)C ZINC001717582352 1421508336 /nfs/dbraw/zinc/50/83/36/1421508336.db2.gz HHCXXFWOZFOYEX-RBUKOAKNSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717640800 1421546274 /nfs/dbraw/zinc/54/62/74/1421546274.db2.gz KWEFFLDEZNLOHI-QAQDUYKDSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001717796207 1421627165 /nfs/dbraw/zinc/62/71/65/1421627165.db2.gz OYCIEJSUNMQLHC-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717818668 1421637267 /nfs/dbraw/zinc/63/72/67/1421637267.db2.gz OXUGPDGREGHBPL-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001717836249 1421649417 /nfs/dbraw/zinc/64/94/17/1421649417.db2.gz GZCVFQNMLIEQIV-XLIONFOSSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001717837381 1421650749 /nfs/dbraw/zinc/65/07/49/1421650749.db2.gz NEJOJQXADDPYKS-TZIWHRDSSA-N 2 0 347.547 3.164 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCC1CCC1)CC2)C1CCC1 ZINC001717837379 1421651122 /nfs/dbraw/zinc/65/11/22/1421651122.db2.gz NEJOJQXADDPYKS-PZJWPPBQSA-N 2 0 347.547 3.164 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001717840815 1421655543 /nfs/dbraw/zinc/65/55/43/1421655543.db2.gz LIMOPABAKDNCKS-AOIWGVFYSA-N 2 0 349.544 3.010 10 0 EGAERP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001717856638 1421668817 /nfs/dbraw/zinc/66/88/17/1421668817.db2.gz VZXYKLWIJBPJLC-PKOBYXMFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001717861113 1421673651 /nfs/dbraw/zinc/67/36/51/1421673651.db2.gz TYHOAQOJXJXDSI-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001717903650 1421699653 /nfs/dbraw/zinc/69/96/53/1421699653.db2.gz WQZGECAPPUGCHO-FQQSSWHASA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001717950470 1421719463 /nfs/dbraw/zinc/71/94/63/1421719463.db2.gz UTWAZBDHLOPNIU-MOPGFXCFSA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@H]1CC[NH+](C)C1 ZINC001717953112 1421724444 /nfs/dbraw/zinc/72/44/44/1421724444.db2.gz XRBCAUWFHYMNOC-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001717964884 1421736627 /nfs/dbraw/zinc/73/66/27/1421736627.db2.gz GHLHOLQUWIATMR-MSOLQXFVSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001717970782 1421742880 /nfs/dbraw/zinc/74/28/80/1421742880.db2.gz BMAAYMOEMYXBSD-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001717972047 1421743633 /nfs/dbraw/zinc/74/36/33/1421743633.db2.gz YHAAZUUVNHZXBO-SFHVURJKSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)[NH+]1CCC(C2(NC(=O)CC[N@H+](C)C3CCCCC3)CC2)CC1 ZINC001718003910 1421770428 /nfs/dbraw/zinc/77/04/28/1421770428.db2.gz VWEZSJHBCSYHLK-UHFFFAOYSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001718022662 1421777026 /nfs/dbraw/zinc/77/70/26/1421777026.db2.gz CJJYOWAVEMUKHB-UHFFFAOYSA-N 2 0 340.471 3.195 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001733359303 1429541912 /nfs/dbraw/zinc/54/19/12/1429541912.db2.gz AZQMKRWASGFYOP-DKFQHHCZSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733363001 1429548161 /nfs/dbraw/zinc/54/81/61/1429548161.db2.gz ZXTIWPZQLVPAJK-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@](C)(NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001733416268 1429620607 /nfs/dbraw/zinc/62/06/07/1429620607.db2.gz JBORYOIMKKTWSV-NRFANRHFSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001733422634 1429630282 /nfs/dbraw/zinc/63/02/82/1429630282.db2.gz LHYXYQIJYALHGJ-CTNGQTDRSA-N 2 0 349.563 3.268 10 0 EGAERP CC1CCC(C[NH2+]C[C@@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001733427174 1429634391 /nfs/dbraw/zinc/63/43/91/1429634391.db2.gz NLEZNBJCIIICDG-AFMYVXGZSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@](C)(C[NH2+]CCC2CC2)C1 ZINC001733429475 1429637094 /nfs/dbraw/zinc/63/70/94/1429637094.db2.gz PLAYPRDWOOCMSH-OAQYLSRUSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001733438924 1429646731 /nfs/dbraw/zinc/64/67/31/1429646731.db2.gz YDQQUYIUAOTKCS-AZUAARDMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001733451112 1429662985 /nfs/dbraw/zinc/66/29/85/1429662985.db2.gz GNDJZGQMUFLMQA-QGZVFWFLSA-N 2 0 339.568 3.229 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001733457676 1429677378 /nfs/dbraw/zinc/67/73/78/1429677378.db2.gz ACRHOIGUNNJAAX-AZUAARDMSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733458536 1429679747 /nfs/dbraw/zinc/67/97/47/1429679747.db2.gz MLMQHFMCEFGGAW-GHTZIAJQSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001722957634 1424279638 /nfs/dbraw/zinc/27/96/38/1424279638.db2.gz ZWRTZBCCLLEHHM-RTBURBONSA-N 2 0 335.536 3.093 10 0 EGAERP CN(CCC[NH2+]CCCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001723087535 1424298838 /nfs/dbraw/zinc/29/88/38/1424298838.db2.gz KWEZTLPPPYIGBS-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001733512764 1429721020 /nfs/dbraw/zinc/72/10/20/1429721020.db2.gz HRWUCOSFHIZMSV-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1CC ZINC001723371436 1424374690 /nfs/dbraw/zinc/37/46/90/1424374690.db2.gz MHMUIEXUWBZUPM-RTBURBONSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CC2)C1 ZINC001723580353 1424473716 /nfs/dbraw/zinc/47/37/16/1424473716.db2.gz BLCZJPXGFPBLGV-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001723609433 1424490635 /nfs/dbraw/zinc/49/06/35/1424490635.db2.gz PNOAOWAKAUHMAS-PXDRNWIDSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001723615315 1424494029 /nfs/dbraw/zinc/49/40/29/1424494029.db2.gz TYXBSWJPWRRWHJ-YQQQUEKLSA-N 2 0 347.547 3.307 10 0 EGAERP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001723649866 1424516022 /nfs/dbraw/zinc/51/60/22/1424516022.db2.gz YOJMLJMRVUZPTL-QGZVFWFLSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723720794 1424545625 /nfs/dbraw/zinc/54/56/25/1424545625.db2.gz DYONNEJOGQIZSC-GIWCCYDRSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001723920468 1424604661 /nfs/dbraw/zinc/60/46/61/1424604661.db2.gz HLZFCITZSGGUHQ-QGZVFWFLSA-N 2 0 342.487 3.417 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCC2CCCC2)C1 ZINC001724161804 1424698783 /nfs/dbraw/zinc/69/87/83/1424698783.db2.gz KTMGRQIKAXJZJP-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001733562827 1429760628 /nfs/dbraw/zinc/76/06/28/1429760628.db2.gz BOGVJOVQSAJAKD-YSTOQKLRSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001724532028 1424896295 /nfs/dbraw/zinc/89/62/95/1424896295.db2.gz MYBDZYLLXOPAKK-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001724655828 1425021942 /nfs/dbraw/zinc/02/19/42/1425021942.db2.gz MTKHGPOCEHKVIP-FHWLQOOXSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)C[C@H]21)[NH+](CC)CC ZINC001724660015 1425038893 /nfs/dbraw/zinc/03/88/93/1425038893.db2.gz WIWSGTWSRJMSBE-XUVXKRRUSA-N 2 0 349.563 3.220 10 0 EGAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001733573321 1429776510 /nfs/dbraw/zinc/77/65/10/1429776510.db2.gz XXDOGVDWXYEWMI-UHFFFAOYSA-N 2 0 339.483 3.000 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749465 1425119010 /nfs/dbraw/zinc/11/90/10/1425119010.db2.gz MYAMDJHMCTVQPF-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(NCC1([NH2+]CC2=CCCCC2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001724797068 1425165348 /nfs/dbraw/zinc/16/53/48/1425165348.db2.gz PZURJRUIUQANDV-MOPGFXCFSA-N 2 0 345.531 3.132 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001724800582 1425169399 /nfs/dbraw/zinc/16/93/99/1425169399.db2.gz NXTROSVVPDITHE-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)CC1 ZINC001724841922 1425191547 /nfs/dbraw/zinc/19/15/47/1425191547.db2.gz FYZRLQAXSTXJKL-RXVVDRJESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001724890824 1425277171 /nfs/dbraw/zinc/27/71/71/1425277171.db2.gz HCJINTKCKYPQBI-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001724901927 1425296719 /nfs/dbraw/zinc/29/67/19/1425296719.db2.gz ZNFOXPQEWUCICM-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001724954554 1425340639 /nfs/dbraw/zinc/34/06/39/1425340639.db2.gz NVBSOVINWCVXCD-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)C[C@@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001725060245 1425500475 /nfs/dbraw/zinc/50/04/75/1425500475.db2.gz SNYPIHMSULSKCJ-OALUTQOASA-N 2 0 345.531 3.319 10 0 EGAERP CCCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001725130288 1425599403 /nfs/dbraw/zinc/59/94/03/1425599403.db2.gz IEGCHMAGSFULOC-CTWPCTMYSA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725135249 1425608699 /nfs/dbraw/zinc/60/86/99/1425608699.db2.gz QBAKUUPWATXXQI-IUQNVBDQSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1CCC([NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001725137507 1425613614 /nfs/dbraw/zinc/61/36/14/1425613614.db2.gz SUFUVBXASFLTLH-MHJFOBGBSA-N 2 0 349.563 3.266 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001725150850 1425635772 /nfs/dbraw/zinc/63/57/72/1425635772.db2.gz RELKGMHNUVZXJB-UHFFFAOYSA-N 2 0 341.584 3.475 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+](C)[C@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001725167160 1425672460 /nfs/dbraw/zinc/67/24/60/1425672460.db2.gz USNUNTNUPHTKIO-QZTJIDSGSA-N 2 0 345.531 3.285 10 0 EGAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001725178296 1425698852 /nfs/dbraw/zinc/69/88/52/1425698852.db2.gz RFAPNJLGKNWADO-QFBILLFUSA-N 2 0 347.547 3.261 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCC2)CCCCC1 ZINC001725223832 1425792650 /nfs/dbraw/zinc/79/26/50/1425792650.db2.gz NOXCSNFIDBEZHH-GOSISDBHSA-N 2 0 335.536 3.068 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccc(F)cc2)CC1(C)C ZINC001725290401 1425934024 /nfs/dbraw/zinc/93/40/24/1425934024.db2.gz FTGBTIQXGVKOHZ-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001725415690 1426060355 /nfs/dbraw/zinc/06/03/55/1426060355.db2.gz HCNUKOTVPVYYJQ-ROUUACIJSA-N 2 0 331.504 3.026 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001725425219 1426084306 /nfs/dbraw/zinc/08/43/06/1426084306.db2.gz KDQATHXENRHLDH-RBUKOAKNSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001725437849 1426098984 /nfs/dbraw/zinc/09/89/84/1426098984.db2.gz DPCPJICRAWDTFP-UXHICEINSA-N 2 0 345.531 3.495 10 0 EGAERP Cc1c(C(=O)N2C[C@@H]([NH2+]CCCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001725585328 1426241373 /nfs/dbraw/zinc/24/13/73/1426241373.db2.gz DPOVXXPJZVWVIP-WBVHZDCISA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001725590153 1426245768 /nfs/dbraw/zinc/24/57/68/1426245768.db2.gz LPMGIYAIFNORNO-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@]3(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]23)C1 ZINC001725612247 1426271392 /nfs/dbraw/zinc/27/13/92/1426271392.db2.gz TYRUHDUXDKGBBT-YMPMHWPESA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001725611900 1426271505 /nfs/dbraw/zinc/27/15/05/1426271505.db2.gz QSJZTNMPJUUBLX-QFUCXCTJSA-N 2 0 343.515 3.203 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001725615501 1426277437 /nfs/dbraw/zinc/27/74/37/1426277437.db2.gz BDEGMVPNDGXAHJ-YLJYHZDGSA-N 2 0 347.547 3.330 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001725622652 1426287798 /nfs/dbraw/zinc/28/77/98/1426287798.db2.gz HVYUAEIKHNETNI-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001725624344 1426290904 /nfs/dbraw/zinc/29/09/04/1426290904.db2.gz INLFJMFIVMDLCR-AZUAARDMSA-N 2 0 335.536 3.166 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3=CCCCC3)[C@H]2C1 ZINC001725642132 1426320997 /nfs/dbraw/zinc/32/09/97/1426320997.db2.gz ZRSFLAMSSUZEEC-UFYCRDLUSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001725763601 1426445104 /nfs/dbraw/zinc/44/51/04/1426445104.db2.gz YKQNLTLHDGJGHD-IBMJZYDUSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001725763886 1426445780 /nfs/dbraw/zinc/44/57/80/1426445780.db2.gz LDDIMGJIIFJGPF-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)(C)CCC[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001725834187 1426513376 /nfs/dbraw/zinc/51/33/76/1426513376.db2.gz WHQRXAHZNOTOIE-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[N@H+](C)[C@@H](C)c2ccccc2)CC1 ZINC001731275797 1427220761 /nfs/dbraw/zinc/22/07/61/1427220761.db2.gz WTOCPOINABXTJO-SFHVURJKSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@]12CC[NH+](C1)CCC2)CC1CCCCCC1 ZINC001731323055 1427262963 /nfs/dbraw/zinc/26/29/63/1427262963.db2.gz XXPBTQRIDPWCGD-NRFANRHFSA-N 2 0 349.563 3.271 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccc(C)cc1 ZINC001731324055 1427263965 /nfs/dbraw/zinc/26/39/65/1427263965.db2.gz OXFMWMBZEZTDEB-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH]cn2)CC1 ZINC001731376086 1427309326 /nfs/dbraw/zinc/30/93/26/1427309326.db2.gz ATZSCMXTMIGFEH-PYTPGESOSA-N 2 0 344.503 3.059 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731457542 1427433537 /nfs/dbraw/zinc/43/35/37/1427433537.db2.gz NBHSDTIMMJTLIG-RTLRUIJZSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731504871 1427488961 /nfs/dbraw/zinc/48/89/61/1427488961.db2.gz XYQLJKPMIBPQKO-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001731639315 1427697346 /nfs/dbraw/zinc/69/73/46/1427697346.db2.gz FWMCNRJEGFTTLF-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC[N@H+](C)CC2CC3(CCC3)C2)CCCCC1 ZINC001731779180 1427901018 /nfs/dbraw/zinc/90/10/18/1427901018.db2.gz SAHADJUYSZJNGM-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CCC2=CCCCC2)C1 ZINC001731792442 1427937561 /nfs/dbraw/zinc/93/75/61/1427937561.db2.gz YUTIDZICEHSFQW-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@H]2CNC(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001731829780 1428038143 /nfs/dbraw/zinc/03/81/43/1428038143.db2.gz SIFDWUMWCISIQZ-ROUUACIJSA-N 2 0 349.544 3.012 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001731834876 1428048538 /nfs/dbraw/zinc/04/85/38/1428048538.db2.gz SECZMWOHWHTPHK-YADGQWAMSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001731855625 1428088873 /nfs/dbraw/zinc/08/88/73/1428088873.db2.gz WLCLQIKKPPBQNQ-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001731859430 1428097921 /nfs/dbraw/zinc/09/79/21/1428097921.db2.gz DZTCUWNJNFZHOJ-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)NCC[N@H+](CC1=CCCCC1)C1CC1)[NH+]1CCCCC1 ZINC001731877507 1428143853 /nfs/dbraw/zinc/14/38/53/1428143853.db2.gz UWJPINLZRJOTTC-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001731994612 1428203181 /nfs/dbraw/zinc/20/31/81/1428203181.db2.gz AZUWRYVCAQPCHI-PVTFFILZSA-N 2 0 349.563 3.434 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001731996735 1428205497 /nfs/dbraw/zinc/20/54/97/1428205497.db2.gz OBEOKCBTEOHSHC-VQIMIIECSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001731996732 1428205631 /nfs/dbraw/zinc/20/56/31/1428205631.db2.gz OBEOKCBTEOHSHC-QFBILLFUSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733651206 1429843245 /nfs/dbraw/zinc/84/32/45/1429843245.db2.gz DBIHOZOORQPZJH-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCC3CCCCC3)CCC2)CC1 ZINC001733723910 1429947717 /nfs/dbraw/zinc/94/77/17/1429947717.db2.gz AZUZPHGETMTASE-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CCC[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001733781736 1430047089 /nfs/dbraw/zinc/04/70/89/1430047089.db2.gz QFEHNTYFBBCMQQ-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001733808980 1430084083 /nfs/dbraw/zinc/08/40/83/1430084083.db2.gz CRWLVKRENGFCTA-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001733855391 1437688627 /nfs/dbraw/zinc/68/86/27/1437688627.db2.gz UBBQDPDODKKOGZ-PXNSSMCTSA-N 2 0 345.531 3.235 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCC(C)C)C2)o1 ZINC001733862155 1437691384 /nfs/dbraw/zinc/69/13/84/1437691384.db2.gz WAXQZNLUWDICKW-AEFFLSMTSA-N 2 0 349.519 3.218 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001733907102 1437725251 /nfs/dbraw/zinc/72/52/51/1437725251.db2.gz KUDJLJNIOHULFN-YLJYHZDGSA-N 2 0 345.531 3.090 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH+](C)C(C)C)c1ccccc1 ZINC001733937432 1437752238 /nfs/dbraw/zinc/75/22/38/1437752238.db2.gz IXKMXHVVUVSRNC-MOPGFXCFSA-N 2 0 331.504 3.011 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]CC1CCCC1 ZINC001733992326 1437786963 /nfs/dbraw/zinc/78/69/63/1437786963.db2.gz IUYWMYZHRYZHMD-JKSUJKDBSA-N 2 0 331.504 3.035 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009085 1437800910 /nfs/dbraw/zinc/80/09/10/1437800910.db2.gz QMQRVPFAPCZAEN-CVEARBPZSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1Cc1cccc(F)c1 ZINC001734105430 1437891753 /nfs/dbraw/zinc/89/17/53/1437891753.db2.gz FTSVNUIBJNGXKT-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001734105641 1437891831 /nfs/dbraw/zinc/89/18/31/1437891831.db2.gz GQFUFLMOIKQZFO-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CC2CCCCCC2)CC1(C)C ZINC001734156402 1437922786 /nfs/dbraw/zinc/92/27/86/1437922786.db2.gz XDHGIJSISLLDOH-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734234724 1437951776 /nfs/dbraw/zinc/95/17/76/1437951776.db2.gz RRVBOAVHZDTSCN-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001734256509 1437971815 /nfs/dbraw/zinc/97/18/15/1437971815.db2.gz KXZUSOFFOLTKCH-MOPGFXCFSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CCC1 ZINC001734286531 1438014933 /nfs/dbraw/zinc/01/49/33/1438014933.db2.gz QSLHCFWNEFHWKV-GOSISDBHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)cc1 ZINC001734355183 1438072588 /nfs/dbraw/zinc/07/25/88/1438072588.db2.gz BHKNYIDZMAPPNH-QGZVFWFLSA-N 2 0 333.520 3.087 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)cc1 ZINC001734355182 1438072621 /nfs/dbraw/zinc/07/26/21/1438072621.db2.gz BHKNYIDZMAPPNH-KRWDZBQOSA-N 2 0 333.520 3.087 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@H]21 ZINC001734441281 1438103512 /nfs/dbraw/zinc/10/35/12/1438103512.db2.gz CKMULXSZKNZUMM-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001734547469 1438143064 /nfs/dbraw/zinc/14/30/64/1438143064.db2.gz KTEQVDVQHVUDGS-MSOLQXFVSA-N 2 0 325.541 3.074 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001734626058 1438190929 /nfs/dbraw/zinc/19/09/29/1438190929.db2.gz OOBCWRXBWRWJMI-IBGZPJMESA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001750943943 1440117447 /nfs/dbraw/zinc/11/74/47/1440117447.db2.gz IQMDUCJYHXFOKR-ZWKOTPCHSA-N 2 0 337.552 3.146 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000178560246 232259128 /nfs/dbraw/zinc/25/91/28/232259128.db2.gz IGJWGOIUNZDADO-OAHLLOKOSA-N 2 0 346.446 3.109 10 0 EGAERP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1ccccc1OCc1ccccn1)CC2 ZINC000377722614 169068712 /nfs/dbraw/zinc/06/87/12/169068712.db2.gz MGPYWYFXFZYHSA-INIZCTEOSA-N 2 0 334.423 3.031 10 0 EGAERP CC[C@H]1CCC[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000377714566 169067005 /nfs/dbraw/zinc/06/70/05/169067005.db2.gz ICHPNJHQCZPVFR-JFROBXPVSA-N 2 0 333.564 3.446 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccsc1 ZINC000262088627 284820788 /nfs/dbraw/zinc/82/07/88/284820788.db2.gz CFFXQRBBPZKHHY-LAVFITLUSA-N 2 0 349.544 3.168 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000353621484 296312731 /nfs/dbraw/zinc/31/27/31/296312731.db2.gz WEWSZQJOLHNCSK-AABGKKOBSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764288 252214602 /nfs/dbraw/zinc/21/46/02/252214602.db2.gz ITZFULSWKYMDNP-JKSUJKDBSA-N 2 0 332.492 3.209 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)co2)cc1 ZINC000246547584 141014847 /nfs/dbraw/zinc/01/48/47/141014847.db2.gz WKAFACBYOVWXRF-AEFFLSMTSA-N 2 0 329.419 3.240 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000246921012 141043801 /nfs/dbraw/zinc/04/38/01/141043801.db2.gz GSWKFFZBYFURQP-ZBFHGGJFSA-N 2 0 330.451 3.312 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OC(C)(C)C)CC1 ZINC000346189732 141176053 /nfs/dbraw/zinc/17/60/53/141176053.db2.gz ZEERNTIVAIGUHI-UHFFFAOYSA-N 2 0 328.460 3.355 10 0 EGAERP CCO[C@@H]1C[C@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346205017 141179967 /nfs/dbraw/zinc/17/99/67/141179967.db2.gz PZBSGMOYBQWJQO-ZWKOTPCHSA-N 2 0 328.460 3.211 10 0 EGAERP C[C@@H]([NH2+]CCOCCOc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923766 141217478 /nfs/dbraw/zinc/21/74/78/141217478.db2.gz DOKPAUVUJPRSRF-MOPGFXCFSA-N 2 0 346.515 3.325 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@H]2CCC[C@H]21 ZINC000353463421 141302421 /nfs/dbraw/zinc/30/24/21/141302421.db2.gz RMCNZSDPOLYGHS-MXEMCNAFSA-N 2 0 327.516 3.113 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222599 144127749 /nfs/dbraw/zinc/12/77/49/144127749.db2.gz LBUSXWKGMCUJEJ-OALUTQOASA-N 2 0 338.536 3.205 10 0 EGAERP Cc1c[nH+]ccc1NCC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000192569152 144177145 /nfs/dbraw/zinc/17/71/45/144177145.db2.gz PKODDGYYTKSVQS-HXUWFJFHSA-N 2 0 325.456 3.248 10 0 EGAERP C[NH+](C)Cc1cccc(NC(=O)N2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000194801925 153359191 /nfs/dbraw/zinc/35/91/91/153359191.db2.gz IFZLWXVRFWJOJK-UHFFFAOYSA-N 2 0 344.503 3.088 10 0 EGAERP C[C@@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]C[C@@H](O)Cc2ccccc2)CC1 ZINC000305137614 154083998 /nfs/dbraw/zinc/08/39/98/154083998.db2.gz PBENTIOYUNJYRK-QMMLZNLJSA-N 2 0 330.516 3.223 10 0 EGAERP CC(C)n1cc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cn1 ZINC000310831689 154144825 /nfs/dbraw/zinc/14/48/25/154144825.db2.gz LXJSWIJKOOAYNK-NJDAHSKKSA-N 2 0 338.499 3.464 10 0 EGAERP Fc1cccc(OC(F)(F)F)c1C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000368689064 157265353 /nfs/dbraw/zinc/26/53/53/157265353.db2.gz SBLCYTPRQOUROA-SECBINFHSA-N 2 0 329.297 3.095 10 0 EGAERP C[N@H+](CCN1CC[C@@H](C[NH+]2CCCCC2)C1)Cc1ccc(F)cc1 ZINC000248580664 163017248 /nfs/dbraw/zinc/01/72/48/163017248.db2.gz VTJNQKPEGKMEIC-IBGZPJMESA-N 2 0 333.495 3.065 10 0 EGAERP CC[C@H](C(=O)NCc1ccccc1C[NH+]1CCCCC1)[NH+](CC)CC ZINC000345806608 164269869 /nfs/dbraw/zinc/26/98/69/164269869.db2.gz ZNNSASZETVCPLH-HXUWFJFHSA-N 2 0 345.531 3.409 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccccc2-c2ccnn2C)[C@H](C)C1 ZINC000351659024 165119245 /nfs/dbraw/zinc/11/92/45/165119245.db2.gz NYYMTTGDFPYJNN-VQIMIIECSA-N 2 0 326.488 3.249 10 0 EGAERP c1[nH]nc2c1CC[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731284 168040046 /nfs/dbraw/zinc/04/00/46/168040046.db2.gz CCGPNDHPMLDRAH-WTGUMLROSA-N 2 0 336.483 3.052 10 0 EGAERP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367584802 168245467 /nfs/dbraw/zinc/24/54/67/168245467.db2.gz BTDHZMVTMFESKN-OTWHNJEPSA-N 2 0 329.488 3.388 10 0 EGAERP C[C@H]1C[C@H]([NH2+]C[C@H](NC(=O)OC(C)(C)C)c2ccccc2)CC[N@@H+]1C ZINC000123407171 222273238 /nfs/dbraw/zinc/27/32/38/222273238.db2.gz LNKPSNUFJLEIOI-JQHSSLGASA-N 2 0 347.503 3.325 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(C)ccc(C)c2C)[C@H](C)C1 ZINC000174770533 265070382 /nfs/dbraw/zinc/07/03/82/265070382.db2.gz UQZJVRILSPNCGC-HOJAQTOUSA-N 2 0 348.531 3.014 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]Cc2cccc(OCC(F)(F)F)c2)CC1 ZINC000272580916 266874261 /nfs/dbraw/zinc/87/42/61/266874261.db2.gz PTKNTEDGASRHSY-UHFFFAOYSA-N 2 0 330.394 3.449 10 0 EGAERP Fc1ccc(C2=CC[C@@H]([NH2+]CCCC[NH+]3CCOCC3)CC2)cc1 ZINC000272589754 266875984 /nfs/dbraw/zinc/87/59/84/266875984.db2.gz WHZGENQWNFDTPC-HXUWFJFHSA-N 2 0 332.463 3.464 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504302 275641394 /nfs/dbraw/zinc/64/13/94/275641394.db2.gz SDXVCEBXAMUBOW-DNVCBOLYSA-N 2 0 342.487 3.089 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[C@@H]21 ZINC000353456980 277169471 /nfs/dbraw/zinc/16/94/71/277169471.db2.gz XOVRBXDNPYNCBT-ACRUOGEOSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000414168792 309064407 /nfs/dbraw/zinc/06/44/07/309064407.db2.gz ALRNNKINRNAPNV-HLAWJBBLSA-N 3 0 329.532 3.219 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CCC[C@H](CO)C2)CC1 ZINC000414330063 309073255 /nfs/dbraw/zinc/07/32/55/309073255.db2.gz DMVYXKYZWWLHFE-SLYNCCJLSA-N 2 0 330.516 3.223 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)[C@@H](C)C1 ZINC000248979041 308016428 /nfs/dbraw/zinc/01/64/28/308016428.db2.gz IKIYYJQLNJNNKN-MAUKXSAKSA-N 2 0 332.488 3.494 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]Cc1ccccc1C[NH2+][C@H]1CCOC1(C)C ZINC000295236755 308305975 /nfs/dbraw/zinc/30/59/75/308305975.db2.gz OYLUEYNZGOHJAF-HDICACEKSA-N 2 0 332.488 3.001 10 0 EGAERP CSc1cc(Br)ccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414826293 309103983 /nfs/dbraw/zinc/10/39/83/309103983.db2.gz FJFSIQPVKXYXLP-NSHDSACASA-N 2 0 329.307 3.260 10 0 EGAERP C[NH2+]C[C@@H](C)C[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)o1 ZINC000414841421 309104932 /nfs/dbraw/zinc/10/49/32/309104932.db2.gz OAWXDKCGRMRJHM-OAHLLOKOSA-N 2 0 338.455 3.386 10 0 EGAERP C[C@@H]1CC([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@@H](C)C1 ZINC000397625314 308904599 /nfs/dbraw/zinc/90/45/99/308904599.db2.gz XSNTZMOWQMFNIZ-ROUUACIJSA-N 2 0 330.516 3.428 10 0 EGAERP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000414865614 309106283 /nfs/dbraw/zinc/10/62/83/309106283.db2.gz ZHHCWZLLMOOVTF-AHSZXGJYSA-N 2 0 327.516 3.160 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414943868 309110560 /nfs/dbraw/zinc/11/05/60/309110560.db2.gz OMAITMRQSKWKJV-KXBFYZLASA-N 2 0 340.467 3.458 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[NH2+][C@H](C)C1 ZINC000414952145 309111136 /nfs/dbraw/zinc/11/11/36/309111136.db2.gz QNZLDPZFTZFASL-JTNHKYCSSA-N 2 0 329.257 3.249 10 0 EGAERP FC1(F)CNCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(Cl)cc1 ZINC000414993236 309113179 /nfs/dbraw/zinc/11/31/79/309113179.db2.gz CGZUNVYCJBILBY-ZDUSSCGKSA-N 2 0 340.805 3.065 10 0 EGAERP Cc1cc(Cl)cc(C)c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415054498 309116911 /nfs/dbraw/zinc/11/69/11/309116911.db2.gz NPCRNYPERMZTLY-UHFFFAOYSA-N 2 0 335.923 3.263 10 0 EGAERP C[C@@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055323 309117001 /nfs/dbraw/zinc/11/70/01/309117001.db2.gz OJNIHHRBJHRQJJ-MNNVXMFVSA-N 2 0 335.923 3.077 10 0 EGAERP Fc1cccc(Cl)c1CN1CCC([NH2+][C@@H]2CCCC[NH2+]C2)CC1 ZINC000415071988 309118389 /nfs/dbraw/zinc/11/83/89/309118389.db2.gz UZRSKKDOYOCVPS-OAHLLOKOSA-N 2 0 339.886 3.175 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415075320 309118559 /nfs/dbraw/zinc/11/85/59/309118559.db2.gz BIHMTMHOUUYFSS-YLJYHZDGSA-N 2 0 326.488 3.332 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1C[C@H](C)[NH2+]Cc2ccccc21 ZINC000415081084 309118833 /nfs/dbraw/zinc/11/88/33/309118833.db2.gz BOCSFVHOALREBE-HNNXBMFYSA-N 2 0 333.439 3.074 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@H](C(C)C)[NH+]1CCC(C)CC1 ZINC000415898132 309146776 /nfs/dbraw/zinc/14/67/76/309146776.db2.gz HEUJJJNPXYMDBB-LJQANCHMSA-N 2 0 346.519 3.284 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[NH+](C(C)C)C(C)C ZINC000415939515 309150158 /nfs/dbraw/zinc/15/01/58/309150158.db2.gz BYUABKKVVXYBQX-UHFFFAOYSA-N 2 0 334.508 3.427 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[NH2+][C@H](c2ccccc2)[C@H]2CCOC2)cc1 ZINC000420405436 309286746 /nfs/dbraw/zinc/28/67/46/309286746.db2.gz MVXFZVUSFSFVHP-QKNQBKEWSA-N 2 0 340.467 3.105 10 0 EGAERP C[N@H+](CCN[C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422709008 309364091 /nfs/dbraw/zinc/36/40/91/309364091.db2.gz YGUPBEBLNAYNBW-TZIWHRDSSA-N 2 0 343.515 3.096 10 0 EGAERP COc1ccc([C@@H](NCCC[NH+]2CCC(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422794722 309368751 /nfs/dbraw/zinc/36/87/51/309368751.db2.gz ZEMPTRYXEJDVOU-LEWJYISDSA-N 2 0 345.531 3.200 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422802300 309369196 /nfs/dbraw/zinc/36/91/96/309369196.db2.gz HBJBHHCLCPPDPA-UTKZUKDTSA-N 2 0 338.499 3.336 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2nc3ccccc3s2)o1 ZINC000422858139 309372451 /nfs/dbraw/zinc/37/24/51/309372451.db2.gz INFYFNBKSCQSNL-ZDUSSCGKSA-N 2 0 345.468 3.400 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866355 309372690 /nfs/dbraw/zinc/37/26/90/309372690.db2.gz QGFZBZJQSGZPCZ-JBBXEZCESA-N 2 0 329.394 3.278 10 0 EGAERP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422875485 309373302 /nfs/dbraw/zinc/37/33/02/309373302.db2.gz CTTPEUJOSIZOEF-XUVXKRRUSA-N 2 0 342.531 3.472 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422889138 309374415 /nfs/dbraw/zinc/37/44/15/309374415.db2.gz FGNLLSUOOPOQPU-UHFFFAOYSA-N 3 0 333.520 3.014 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CC[NH2+]CC[C@@H]2C)CCOCC1 ZINC000422901265 309375122 /nfs/dbraw/zinc/37/51/22/309375122.db2.gz RTZKWCBDAQQVEI-HKUYNNGSSA-N 2 0 346.515 3.030 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(Br)c1 ZINC000422932417 309376845 /nfs/dbraw/zinc/37/68/45/309376845.db2.gz FROVZZXIKGTUMK-LLVKDONJSA-N 2 0 334.261 3.462 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422937620 309377215 /nfs/dbraw/zinc/37/72/15/309377215.db2.gz OKJKLIQQFWNYOO-FFZOFVMBSA-N 2 0 340.467 3.108 10 0 EGAERP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(F)c(F)c1 ZINC000423043651 309382701 /nfs/dbraw/zinc/38/27/01/309382701.db2.gz PLWKRCPYMBTYIX-BXWZPQSNSA-N 2 0 349.469 3.361 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092672 309385516 /nfs/dbraw/zinc/38/55/16/309385516.db2.gz CXVXOWZRRIMWBP-PPQZLUMUSA-N 2 0 326.843 3.009 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423134298 309387595 /nfs/dbraw/zinc/38/75/95/309387595.db2.gz LTXNZGYRBHDTBA-RBSFLKMASA-N 2 0 327.394 3.153 10 0 EGAERP Cn1ccc([C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)c2ccc(Cl)cc2)n1 ZINC000423259822 309392876 /nfs/dbraw/zinc/39/28/76/309392876.db2.gz PCHFYDBZRNPUDI-RDTXWAMCSA-N 2 0 332.879 3.142 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423276930 309393469 /nfs/dbraw/zinc/39/34/69/309393469.db2.gz NPQDGOPZYPZXQW-FCMAGTKHSA-N 2 0 327.516 3.289 10 0 EGAERP CC1(C[NH2+][C@@H]2CCc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000423318095 309394999 /nfs/dbraw/zinc/39/49/99/309394999.db2.gz CBDGFOBVDJYTSI-CQSZACIVSA-N 2 0 337.305 3.286 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400347 309398701 /nfs/dbraw/zinc/39/87/01/309398701.db2.gz VBJDDRMOGVXLAW-XBFCOCLRSA-N 2 0 347.450 3.112 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)[C@H](C)C1 ZINC000449032295 310031033 /nfs/dbraw/zinc/03/10/33/310031033.db2.gz WXXMQCOQHMPYHL-AEFFLSMTSA-N 2 0 332.488 3.400 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+]Cc3csc(C)c3)cc2)CC1 ZINC000449081066 310035444 /nfs/dbraw/zinc/03/54/44/310035444.db2.gz BLKSPFYSJNTPTH-UHFFFAOYSA-N 2 0 343.540 3.484 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCc2cnn(C)c2)CC1 ZINC000449113430 310037981 /nfs/dbraw/zinc/03/79/81/310037981.db2.gz VZGOQBAREACNKO-GOSISDBHSA-N 2 0 340.515 3.038 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(F)cc2)CC1 ZINC000449128812 310039020 /nfs/dbraw/zinc/03/90/20/310039020.db2.gz AWQDWMQPTSYKSQ-UHFFFAOYSA-N 2 0 344.478 3.438 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@@H](O)C2)CC1 ZINC000449165454 310041577 /nfs/dbraw/zinc/04/15/77/310041577.db2.gz WCYLNPFHVKKCAX-YFVAEKQCSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC(=O)OC(C)(C)C)CC1 ZINC000449165070 310041581 /nfs/dbraw/zinc/04/15/81/310041581.db2.gz SUGOIRRWKXSKIW-QGZVFWFLSA-N 2 0 346.515 3.403 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccc3c(c2)OCCCCO3)CC1 ZINC000449172658 310042174 /nfs/dbraw/zinc/04/21/74/310042174.db2.gz WDDLCHHCRFRHBA-UHFFFAOYSA-N 2 0 332.488 3.450 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[C@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000449184819 310042936 /nfs/dbraw/zinc/04/29/36/310042936.db2.gz IJGSJUMHRXJBOS-LQWHRVPQSA-N 2 0 341.543 3.297 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449223294 310045773 /nfs/dbraw/zinc/04/57/73/310045773.db2.gz XNNMIEATUJYDQC-UHFFFAOYSA-N 2 0 336.332 3.172 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@@H]1CCCO1 ZINC000449294220 310051016 /nfs/dbraw/zinc/05/10/16/310051016.db2.gz YHUKDQKIKJMHMZ-ROUUACIJSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCOC[C@H]2C)CC1 ZINC000449319791 310053186 /nfs/dbraw/zinc/05/31/86/310053186.db2.gz HGYYKRXKONQWEB-WSTZPKSXSA-N 2 0 330.516 3.344 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CF)CCOCC2)CC1 ZINC000449490172 310066257 /nfs/dbraw/zinc/06/62/57/310066257.db2.gz WHHIDGAIVXCBJG-GOSISDBHSA-N 2 0 348.506 3.438 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560267 310072235 /nfs/dbraw/zinc/07/22/35/310072235.db2.gz ITEPSBSHZHRDIM-IRFPFTSISA-N 2 0 341.543 3.297 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C3CC3)C3CCCC3)cn2)CC1 ZINC000453063529 310255492 /nfs/dbraw/zinc/25/54/92/310255492.db2.gz NTFOJVQUFDEXDE-OAQYLSRUSA-N 2 0 342.531 3.282 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453317750 310270745 /nfs/dbraw/zinc/27/07/45/310270745.db2.gz YRGMZWBZPASCNT-MJGOQNOKSA-N 2 0 334.479 3.253 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccccc1Cl ZINC000514097872 312225096 /nfs/dbraw/zinc/22/50/96/312225096.db2.gz BXEVWUZBRLRTNG-WZGPROSRSA-N 2 0 335.923 3.405 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCCC[C@H]34)CC23CC3)cc1 ZINC000514602633 312233867 /nfs/dbraw/zinc/23/38/67/312233867.db2.gz IANQUPNKARATHT-PCCBWWKXSA-N 2 0 339.527 3.400 10 0 EGAERP Cc1c[nH+]ccc1N1CCC(c2nc([C@H]([NH3+])CC(C)C)no2)CC1 ZINC000515060362 312263445 /nfs/dbraw/zinc/26/34/45/312263445.db2.gz ZQCIMGGGPMTIRC-OAHLLOKOSA-N 2 0 329.448 3.203 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cncn2Cc2ccccc2)CC1 ZINC000525834245 312758794 /nfs/dbraw/zinc/75/87/94/312758794.db2.gz RFORANCFKYARHU-UHFFFAOYSA-N 2 0 340.515 3.485 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000565719487 316360904 /nfs/dbraw/zinc/36/09/04/316360904.db2.gz XPUPMFVQEIOEGR-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)CC1 ZINC000567138219 316573601 /nfs/dbraw/zinc/57/36/01/316573601.db2.gz HXVNFAGTTOYABW-INIZCTEOSA-N 2 0 341.499 3.355 10 0 EGAERP [NH3+]C[C@@H]1c2ccccc2CCN1C(=O)CC[C@H]([NH3+])CC1CCCCC1 ZINC000570281875 317033480 /nfs/dbraw/zinc/03/34/80/317033480.db2.gz PAPWJADKAMHISA-AZUAARDMSA-N 2 0 343.515 3.149 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)OCO2 ZINC000398182574 324295977 /nfs/dbraw/zinc/29/59/77/324295977.db2.gz XIVXLCTXTCYHAD-VQIMIIECSA-N 2 0 338.451 3.416 10 0 EGAERP [NH3+][C@@H](CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000576211979 324568286 /nfs/dbraw/zinc/56/82/86/324568286.db2.gz URZZMQFVWQYFSZ-HNNXBMFYSA-N 2 0 344.484 3.029 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CCC2 ZINC000580250152 325223319 /nfs/dbraw/zinc/22/33/19/325223319.db2.gz YTHNQLABGOQCDA-FZMZJTMJSA-N 2 0 336.361 3.348 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[NH+]2CCC(Cc3nccs3)CC2)cc1 ZINC000631836675 460577141 /nfs/dbraw/zinc/57/71/41/460577141.db2.gz DXNVXTJOWFYIOY-QGZVFWFLSA-N 2 0 345.512 3.149 10 0 EGAERP Cc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](C)C2)nc(-c2ccc(Cl)cc2)n1 ZINC000631838705 460577821 /nfs/dbraw/zinc/57/78/21/460577821.db2.gz TVQSUUBOQJGJSJ-IUODEOHRSA-N 2 0 330.863 3.132 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+]3CCCC[C@@H]3C)CC2)CC[N@@H+]1C ZINC000631838911 460577867 /nfs/dbraw/zinc/57/78/67/460577867.db2.gz WYAJIRHBYOVSDA-YSIASYRMSA-N 2 0 349.563 3.220 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[NH+]2CCC(Cc3nccs3)CC2)cc1 ZINC000631836674 460578246 /nfs/dbraw/zinc/57/82/46/460578246.db2.gz DXNVXTJOWFYIOY-KRWDZBQOSA-N 2 0 345.512 3.149 10 0 EGAERP Cc1ncc([C@H](C)[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)s1 ZINC000245573571 455333783 /nfs/dbraw/zinc/33/37/83/455333783.db2.gz DBTLTLVSUFRGAS-KEYYUXOJSA-N 2 0 330.501 3.408 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623496019 460581394 /nfs/dbraw/zinc/58/13/94/460581394.db2.gz DXJFUIDQBKMLJN-WOJBJXKFSA-N 2 0 329.532 3.359 10 0 EGAERP CCOc1c(OC)cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)cc1OC ZINC000245774732 455377492 /nfs/dbraw/zinc/37/74/92/455377492.db2.gz SLWVFPQCAQDYQJ-GOEBONIOSA-N 2 0 336.476 3.017 10 0 EGAERP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[C@H](c4ccccc4)C3)CC2)CC1 ZINC000130942702 454226969 /nfs/dbraw/zinc/22/69/69/454226969.db2.gz GTNXWZYYLHVYLC-FPOVZHCZSA-N 2 0 341.543 3.471 10 0 EGAERP C[NH+]1CCC(N2CCC([NH2+][C@@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000130942926 454227441 /nfs/dbraw/zinc/22/74/41/454227441.db2.gz GTNXWZYYLHVYLC-TZIWHRDSSA-N 2 0 341.543 3.471 10 0 EGAERP C[C@@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000133603700 454444457 /nfs/dbraw/zinc/44/44/57/454444457.db2.gz YYTCJTYRSUNDNQ-GOSISDBHSA-N 2 0 329.532 3.013 10 0 EGAERP COc1cc2c(c(C[NH+]3CCC(C[NH+]4CCCC4)CC3)c1)O[C@H](C)C2 ZINC000134185698 454513846 /nfs/dbraw/zinc/51/38/46/454513846.db2.gz GNPSDKPMNOAZSA-MRXNPFEDSA-N 2 0 344.499 3.326 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2SC)[C@H](C)C1 ZINC000081096959 454686959 /nfs/dbraw/zinc/68/69/59/454686959.db2.gz OXLCYMLNNXVYFV-NVXWUHKLSA-N 2 0 349.544 3.399 10 0 EGAERP C[C@@]1(C[NH2+]C2CCC3(CC2)OCCO3)CCCN1Cc1ccccc1 ZINC000152977136 454749770 /nfs/dbraw/zinc/74/97/70/454749770.db2.gz AWKCPKXIDDOXSP-FQEVSTJZSA-N 2 0 344.499 3.316 10 0 EGAERP CCC[C@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000162370647 454771034 /nfs/dbraw/zinc/77/10/34/454771034.db2.gz OVSKHBACKXAWAN-WOJBJXKFSA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000125796259 454848071 /nfs/dbraw/zinc/84/80/71/454848071.db2.gz HONZRWZYMGTZSC-OAQYLSRUSA-N 3 0 343.559 3.404 10 0 EGAERP Clc1ccc2nc(C[N@@H+]3CC[C@H](CNc4ccccn4)C3)cn2c1 ZINC000170872100 454991735 /nfs/dbraw/zinc/99/17/35/454991735.db2.gz HPORQFAQRHSDLR-CQSZACIVSA-N 2 0 341.846 3.317 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc3ccccc3s2)CC1 ZINC000179515706 455054136 /nfs/dbraw/zinc/05/41/36/455054136.db2.gz BEAMLDDKOYYTAC-OAHLLOKOSA-N 2 0 332.513 3.426 10 0 EGAERP Cn1cc([C@@H]2CC[N@H+](CC(C)(C)C[NH+](C)Cc3ccccc3)C2)cn1 ZINC000128479933 455059921 /nfs/dbraw/zinc/05/99/21/455059921.db2.gz YIEWUHCNDPJWCK-LJQANCHMSA-N 2 0 340.515 3.368 10 0 EGAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NC3C4CC5CC(C4)CC3C5)c2)C1 ZINC000116601865 455062128 /nfs/dbraw/zinc/06/21/28/455062128.db2.gz OCOWXBTWSNLBIN-ITNKIWFMSA-N 2 0 326.488 3.116 10 0 EGAERP Cc1ccc(C[N@H+]2CCCN(C(=O)C[NH2+][C@H](C)C(C)(C)C)CC2)cc1 ZINC000172263681 455141268 /nfs/dbraw/zinc/14/12/68/455141268.db2.gz FINBKSAPPJKAMF-GOSISDBHSA-N 2 0 345.531 3.054 10 0 EGAERP OC[C@@H]1CCCC[C@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245669385 455351757 /nfs/dbraw/zinc/35/17/57/455351757.db2.gz HFORQWFBEHVEQY-JRSUCEMESA-N 2 0 328.500 3.323 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2c(C3CC3)nc3sccn23)[C@@H](C)C1 ZINC000245869924 455389258 /nfs/dbraw/zinc/38/92/58/455389258.db2.gz RFCXGZNWEKWERE-DZGCQCFKSA-N 2 0 332.517 3.435 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266977 455613046 /nfs/dbraw/zinc/61/30/46/455613046.db2.gz ZDXJBJPAKACJMJ-UWJYYQICSA-N 2 0 343.515 3.473 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1cccs1 ZINC000269052873 455777063 /nfs/dbraw/zinc/77/70/63/455777063.db2.gz RNXKPUALALHIOC-IMFGXOCKSA-N 2 0 344.524 3.456 10 0 EGAERP CC(C)[C@@H](Cn1cccn1)[NH2+]C[C@H]1CCCN1CCc1ccccc1 ZINC000253416033 455840827 /nfs/dbraw/zinc/84/08/27/455840827.db2.gz NSBLRDUUYODXFV-NHCUHLMSSA-N 2 0 340.515 3.204 10 0 EGAERP [NH3+]CCCCCCC(=O)N(Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262915248 456067819 /nfs/dbraw/zinc/06/78/19/456067819.db2.gz KGETZJYWBBLFOC-KRWDZBQOSA-N 2 0 349.544 3.128 10 0 EGAERP COc1cnccc1[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188769830 456132565 /nfs/dbraw/zinc/13/25/65/456132565.db2.gz VTVMUZIBWMNDKK-HZPDHXFCSA-N 2 0 343.471 3.442 10 0 EGAERP C[C@@H]1C[C@@H](C[N@@H+]2CC[C@@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC000352817117 456333678 /nfs/dbraw/zinc/33/36/78/456333678.db2.gz PSMKWAFRXPRFPE-HLAWJBBLSA-N 2 0 328.500 3.400 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000352821877 456336480 /nfs/dbraw/zinc/33/64/80/456336480.db2.gz BLEOZKOURKHEAG-QFBILLFUSA-N 2 0 343.515 3.060 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@H]2CCC[C@@H]21 ZINC000340424188 456452604 /nfs/dbraw/zinc/45/26/04/456452604.db2.gz BVVSUAQOIOSWML-ILXRZTDVSA-N 2 0 327.394 3.105 10 0 EGAERP CSC1(C[NH2+]Cc2cnc(-c3ccncc3)s2)CC[NH+](C)CC1 ZINC000353194230 456550253 /nfs/dbraw/zinc/55/02/53/456550253.db2.gz OZQOGPHKUCSVTP-UHFFFAOYSA-N 2 0 348.541 3.122 10 0 EGAERP COC[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658319730 462477444 /nfs/dbraw/zinc/47/74/44/462477444.db2.gz HMBVQOYQFVIFQO-PMACEKPBSA-N 2 0 328.500 3.303 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337984126 456638136 /nfs/dbraw/zinc/63/81/36/456638136.db2.gz ATENYSAMIGOVAU-RTWAWAEBSA-N 2 0 328.500 3.312 10 0 EGAERP C[C@H](CC(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1CCC[NH2+]C1 ZINC000325315069 456681231 /nfs/dbraw/zinc/68/12/31/456681231.db2.gz BKEVTJMXUWCXRO-AEFFLSMTSA-N 2 0 329.488 3.247 10 0 EGAERP COC1(C[C@@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)CCC1 ZINC000277217596 456729208 /nfs/dbraw/zinc/72/92/08/456729208.db2.gz XEKSRXLRPAAAHD-YLJYHZDGSA-N 2 0 346.515 3.081 10 0 EGAERP CC[C@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1cccc(C)c1 ZINC000353648072 456827527 /nfs/dbraw/zinc/82/75/27/456827527.db2.gz OGHRQNMKGXTAGJ-OALUTQOASA-N 2 0 333.520 3.128 10 0 EGAERP CCc1cccc(F)c1C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000354653120 457299370 /nfs/dbraw/zinc/29/93/70/457299370.db2.gz DKTZQEQRLRVKPV-IBGZPJMESA-N 2 0 342.458 3.245 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012968 457511099 /nfs/dbraw/zinc/51/10/99/457511099.db2.gz LMHWJAZNXXPLAD-HIFRSBDPSA-N 2 0 346.393 3.347 10 0 EGAERP C[N@H+](CCN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1)Cc1ccccc1 ZINC000361295343 457683008 /nfs/dbraw/zinc/68/30/08/457683008.db2.gz JGSJSHAIIGSEAS-DHIUTWEWSA-N 2 0 349.522 3.292 10 0 EGAERP Cc1nc(CC[NH2+][C@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)c(C)o1 ZINC000357788864 457689659 /nfs/dbraw/zinc/68/96/59/457689659.db2.gz DFFWJBCIBKXNDL-KXBFYZLASA-N 2 0 327.472 3.334 10 0 EGAERP COC1(C[C@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)CCC1 ZINC000365376978 457752010 /nfs/dbraw/zinc/75/20/10/457752010.db2.gz FYXLMORKXHOONJ-HNNXBMFYSA-N 2 0 349.519 3.441 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2c2ccccc2)CCCCC1 ZINC000426977602 457932180 /nfs/dbraw/zinc/93/21/80/457932180.db2.gz LYMPRCDAKCSRTB-MOPGFXCFSA-N 2 0 343.515 3.060 10 0 EGAERP CC1CCN(c2ccc(C[NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)cn2)CC1 ZINC000367638812 457969770 /nfs/dbraw/zinc/96/97/70/457969770.db2.gz QUUXCKAXLLMCPG-VAMGGRTRSA-N 2 0 342.531 3.280 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000358555412 458073482 /nfs/dbraw/zinc/07/34/82/458073482.db2.gz AEOZPMFTVMAZMT-PCCBWWKXSA-N 2 0 342.527 3.429 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)c1ccco1 ZINC000358624153 458114783 /nfs/dbraw/zinc/11/47/83/458114783.db2.gz FGPHXDGURUHWNB-KRWDZBQOSA-N 2 0 349.519 3.291 10 0 EGAERP COc1ccc(OC)c([C@@H]2CCC[N@@H+]2CCCn2ccnc2C)c1 ZINC000372024560 458163665 /nfs/dbraw/zinc/16/36/65/458163665.db2.gz AAECZSHCIMWNPQ-SFHVURJKSA-N 2 0 329.444 3.436 10 0 EGAERP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CC[C@@](C)(c4ccccc4)C3)CC2)C1 ZINC000372670864 458314313 /nfs/dbraw/zinc/31/43/13/458314313.db2.gz BJAGOJMZCVTYGX-BHIFYINESA-N 2 0 341.543 3.209 10 0 EGAERP C[NH+](C)[C@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000429535086 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341.455 3.036 10 0 EGAERP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1cccc2c1CC[NH2+]C2 ZINC000662279840 461162338 /nfs/dbraw/zinc/16/23/38/461162338.db2.gz MGFHMGXAIWEBIP-LJQANCHMSA-N 2 0 346.478 3.347 10 0 EGAERP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284039 461164751 /nfs/dbraw/zinc/16/47/51/461164751.db2.gz WUJIRAXLZCJYFD-MSOLQXFVSA-N 2 0 342.508 3.451 10 0 EGAERP CCc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662293249 461170613 /nfs/dbraw/zinc/17/06/13/461170613.db2.gz FAOBRXVMQRLIDT-QFBILLFUSA-N 2 0 343.515 3.288 10 0 EGAERP C[C@@H](CC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1)OCc1ccccc1 ZINC000662321897 461192402 /nfs/dbraw/zinc/19/24/02/461192402.db2.gz FTFYAEMMHURLMU-ICSRJNTNSA-N 2 0 334.504 3.024 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662387987 461225780 /nfs/dbraw/zinc/22/57/80/461225780.db2.gz YFRQQLVRUPWHEJ-FUHIMQAGSA-N 2 0 343.515 3.095 10 0 EGAERP 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ZINC000655803723 461463213 /nfs/dbraw/zinc/46/32/13/461463213.db2.gz XBMKETQZYAWQRE-VNQPRFMTSA-N 2 0 336.476 3.093 10 0 EGAERP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000653108076 461505402 /nfs/dbraw/zinc/50/54/02/461505402.db2.gz HOPXSWGLVZRDLX-WOJBJXKFSA-N 2 0 341.499 3.388 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CCC3(CCCC3)O2)cc1 ZINC000655862261 461510516 /nfs/dbraw/zinc/51/05/16/461510516.db2.gz ZAIMDOODANKAMC-LJQANCHMSA-N 2 0 332.488 3.208 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000647167675 461538548 /nfs/dbraw/zinc/53/85/48/461538548.db2.gz OGIPRTKWIMUEQL-UXHICEINSA-N 2 0 327.516 3.258 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647180397 461548435 /nfs/dbraw/zinc/54/84/35/461548435.db2.gz WFBWLTKEFYDPQF-FQEVSTJZSA-N 2 0 327.516 3.115 10 0 EGAERP CC[C@H](C)C[C@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000647336717 461641403 /nfs/dbraw/zinc/64/14/03/461641403.db2.gz FIHAEGVRICUAKM-BBTUJRGHSA-N 2 0 332.532 3.469 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000663499323 461673655 /nfs/dbraw/zinc/67/36/55/461673655.db2.gz IZVXNVUKHJADJO-IAGOWNOFSA-N 2 0 340.895 3.361 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1cccc(C(F)(F)F)c1 ZINC000663503060 461676513 /nfs/dbraw/zinc/67/65/13/461676513.db2.gz NCFJWEQMPNCZPL-SWLSCSKDSA-N 2 0 345.409 3.386 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C(C)C)[C@@H](C)C2)CC1 ZINC000663504880 461676531 /nfs/dbraw/zinc/67/65/31/461676531.db2.gz BGQIYBWWIMWMHJ-UHOSZYNNSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)c(Cl)c1 ZINC000663503938 461676833 /nfs/dbraw/zinc/67/68/33/461676833.db2.gz VGQFRZHOCYOJGT-DZGCQCFKSA-N 2 0 325.884 3.329 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]CCO[C@@H]1CC1(F)F ZINC000660271491 461677272 /nfs/dbraw/zinc/67/72/72/461677272.db2.gz YMFZLORNYLJLAX-ATLSCFEFSA-N 2 0 338.442 3.157 10 0 EGAERP Cc1ccc(C[N@@H+]2CCC[C@@H]([C@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479368 461725371 /nfs/dbraw/zinc/72/53/71/461725371.db2.gz DMJFOLVUZJNDBC-WIYYLYMNSA-N 2 0 338.499 3.360 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC000663671242 461747341 /nfs/dbraw/zinc/74/73/41/461747341.db2.gz PXVABGYZSHZZLA-OAHLLOKOSA-N 2 0 343.471 3.420 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+][C@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522511 461753240 /nfs/dbraw/zinc/75/32/40/461753240.db2.gz OJMDYUHVOUWPRG-DZGCQCFKSA-N 2 0 339.277 3.395 10 0 EGAERP COc1ccc(-c2cnc(C[N@@H+]3CC4(C[C@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000643895296 461832905 /nfs/dbraw/zinc/83/29/05/461832905.db2.gz RXGVRZARUJLIKZ-OAHLLOKOSA-N 2 0 341.455 3.314 10 0 EGAERP c1ccc(N2CC[C@@H](C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000639337733 461868361 /nfs/dbraw/zinc/86/83/61/461868361.db2.gz OKVPDLVUBLFFGO-UXHICEINSA-N 2 0 327.516 3.225 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC(F)F)c(OC)c1 ZINC000650718281 461909844 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C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311957 462036829 /nfs/dbraw/zinc/03/68/29/462036829.db2.gz ACGHOVAROIIGMS-ROUUACIJSA-N 3 0 341.503 3.115 10 0 EGAERP c1cc(C[NH2+]CCCCOCc2ccccc2)n(-c2cc[nH+]cc2)n1 ZINC000657337591 462057113 /nfs/dbraw/zinc/05/71/13/462057113.db2.gz AMNBZSZAMVLBEK-UHFFFAOYSA-N 2 0 336.439 3.354 10 0 EGAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)CC1 ZINC000657391684 462092718 /nfs/dbraw/zinc/09/27/18/462092718.db2.gz WTHMSUUGBVLRLG-UHFFFAOYSA-N 3 0 341.503 3.115 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+]Cc2cc3n(n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414552 462107769 /nfs/dbraw/zinc/10/77/69/462107769.db2.gz BDQKTOWEFZIUPS-MJGOQNOKSA-N 2 0 338.499 3.220 10 0 EGAERP Cc1ccc2cc(CNc3c[nH+]ccc3N3CC[NH+](C)CC3)[nH]c2c1 ZINC000657417000 462108879 /nfs/dbraw/zinc/10/88/79/462108879.db2.gz RLSRDXUBAKBWBK-UHFFFAOYSA-N 2 0 335.455 3.235 10 0 EGAERP CCC(C)(C)[C@H](C)[NH2+]CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000661233345 462161832 /nfs/dbraw/zinc/16/18/32/462161832.db2.gz YCPXEBXPUUAOSE-KRWDZBQOSA-N 2 0 345.531 3.313 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657527339 462167761 /nfs/dbraw/zinc/16/77/61/462167761.db2.gz TVPKXHIOZFDFQH-FQEVSTJZSA-N 2 0 347.522 3.295 10 0 EGAERP CCOc1ccccc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657536876 462171872 /nfs/dbraw/zinc/17/18/72/462171872.db2.gz SAZMATOIUGYACH-UHFFFAOYSA-N 2 0 332.488 3.066 10 0 EGAERP CCCOc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657536708 462172282 /nfs/dbraw/zinc/17/22/82/462172282.db2.gz OGOAGWKDLCORSR-UHFFFAOYSA-N 2 0 346.515 3.456 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)s1 ZINC000657595831 462196935 /nfs/dbraw/zinc/19/69/35/462196935.db2.gz KPKQHKIYYDOKHU-LJQANCHMSA-N 2 0 330.497 3.221 10 0 EGAERP C[C@H]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664185 462221169 /nfs/dbraw/zinc/22/11/69/462221169.db2.gz IFCVVTFBFAXLHG-FXAWDEMLSA-N 2 0 345.531 3.264 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657663947 462221599 /nfs/dbraw/zinc/22/15/99/462221599.db2.gz GTYZNNUDKBKMPB-GOSISDBHSA-N 2 0 337.458 3.354 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@H](C)O1 ZINC000657773398 462261717 /nfs/dbraw/zinc/26/17/17/462261717.db2.gz RHVIWQPYXGZRBU-BWPNAZKDSA-N 2 0 328.500 3.444 10 0 EGAERP CC[C@]1(C)CCC[C@@H]1[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000651728166 462317193 /nfs/dbraw/zinc/31/71/93/462317193.db2.gz NFCBXWLHXRREJO-FXAWDEMLSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cc2cnccc2o1 ZINC000657919965 462318105 /nfs/dbraw/zinc/31/81/05/462318105.db2.gz SKGDMMGWDBQBLY-XHSDSOJGSA-N 2 0 331.460 3.368 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C(C)(C)C(F)F ZINC000657970187 462332298 /nfs/dbraw/zinc/33/22/98/462332298.db2.gz YZRMRCLBLFBSBL-PBHICJAKSA-N 2 0 340.458 3.413 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000658012650 462346916 /nfs/dbraw/zinc/34/69/16/462346916.db2.gz HLNSPOQSPBCYIH-YYWHXJBOSA-N 2 0 346.515 3.071 10 0 EGAERP c1ccc2c(CC[NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)noc2c1 ZINC000665232893 462362100 /nfs/dbraw/zinc/36/21/00/462362100.db2.gz XGMSEDFKNYXKDA-WIYYLYMNSA-N 2 0 349.434 3.216 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1ccc(OCC[NH+](C)C)cc1 ZINC000658063176 462362831 /nfs/dbraw/zinc/36/28/31/462362831.db2.gz JMJUJJBFMZHMAK-DLBZAZTESA-N 2 0 327.472 3.476 10 0 EGAERP COC1([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)CCCCC1 ZINC000658069517 462365819 /nfs/dbraw/zinc/36/58/19/462365819.db2.gz GMRNJXVYDNEPMG-QGZVFWFLSA-N 2 0 338.536 3.205 10 0 EGAERP CO[C@@H](c1ccccc1)[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069236 462366244 /nfs/dbraw/zinc/36/62/44/462366244.db2.gz DRCSSWHHMIWUPH-LAUBAEHRSA-N 2 0 346.515 3.243 10 0 EGAERP CCCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000665287132 462386089 /nfs/dbraw/zinc/38/60/89/462386089.db2.gz CHRCMISDEPBJKI-FQEVSTJZSA-N 2 0 345.531 3.498 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(F)c(F)c(F)c1 ZINC000658106299 462386919 /nfs/dbraw/zinc/38/69/19/462386919.db2.gz AZIFHWNPFXKWHC-STQMWFEESA-N 2 0 331.426 3.027 10 0 EGAERP Cc1nc(C(C)C)sc1[C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C ZINC000658109793 462390353 /nfs/dbraw/zinc/39/03/53/462390353.db2.gz XOQKTZMKEJECQM-LSDHHAIUSA-N 2 0 340.581 3.498 10 0 EGAERP C[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137438 462400713 /nfs/dbraw/zinc/40/07/13/462400713.db2.gz GRESMZXLXUMEIL-YJBOKZPZSA-N 2 0 330.497 3.036 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143180 462407711 /nfs/dbraw/zinc/40/77/11/462407711.db2.gz XIOABCVOYZHPQV-VBKZILBWSA-N 2 0 346.421 3.382 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139953 462447046 /nfs/dbraw/zinc/44/70/46/462447046.db2.gz ZTHPEHXOHGMPPG-GHTZIAJQSA-N 2 0 344.547 3.319 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319090 462474704 /nfs/dbraw/zinc/47/47/04/462474704.db2.gz WWHGBLTWLHAXLT-RTBURBONSA-N 2 0 328.500 3.446 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H](OC)C2CCCCC2)[C@@H](C)C1 ZINC000658329846 462479966 /nfs/dbraw/zinc/47/99/66/462479966.db2.gz OLPFAKJOYLDBHB-IHPCNDPISA-N 2 0 340.552 3.308 10 0 EGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(CC(N)=O)CCCCC2)CC1 ZINC000658339161 462480680 /nfs/dbraw/zinc/48/06/80/462480680.db2.gz QTNZHIJCBZBLIG-HKUYNNGSSA-N 2 0 349.563 3.445 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339079 462481200 /nfs/dbraw/zinc/48/12/00/462481200.db2.gz PUOBONVYCNWFPJ-IEBWSBKVSA-N 2 0 349.563 3.445 10 0 EGAERP Cc1cc(C)n(-c2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)cc2)n1 ZINC000649415312 462503611 /nfs/dbraw/zinc/50/36/11/462503611.db2.gz UPMCDRGFFQUXIQ-CTNGQTDRSA-N 2 0 338.499 3.453 10 0 EGAERP C[C@@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093324592 546684969 /nfs/dbraw/zinc/68/49/69/546684969.db2.gz OQUNBHWVBRBKED-KRWDZBQOSA-N 2 0 342.483 3.396 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCc3ccc(F)cc32)(N2CCCCC2)CC1 ZINC000175016118 547009447 /nfs/dbraw/zinc/00/94/47/547009447.db2.gz COPGNCRCUAIJMP-FQEVSTJZSA-N 2 0 345.506 3.353 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCOC1 ZINC000310183647 547461368 /nfs/dbraw/zinc/46/13/68/547461368.db2.gz WYIYTMJUSHPQQO-SSSFQFABSA-N 2 0 328.500 3.302 10 0 EGAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1C(=O)c1ccc2c[nH+]cn2c1 ZINC000670801986 548237907 /nfs/dbraw/zinc/23/79/07/548237907.db2.gz JZKOPYVWUPDMGV-KRWDZBQOSA-N 2 0 348.450 3.071 10 0 EGAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871241 548995117 /nfs/dbraw/zinc/99/51/17/548995117.db2.gz CGNNWRWZXKQJPM-HOCLYGCPSA-N 2 0 333.545 3.056 10 0 EGAERP C[C@H]([NH2+][C@H]1CCN(C)[C@H]1c1ccc(F)c(F)c1)C1CC[NH+](C)CC1 ZINC000678609190 549531218 /nfs/dbraw/zinc/53/12/18/549531218.db2.gz HQANRLFNOVKKCA-AGRHKRQWSA-N 2 0 337.458 3.030 10 0 EGAERP CO[C@H]1CCCC[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000685045170 550396484 /nfs/dbraw/zinc/39/64/84/550396484.db2.gz YUXPBMIVMNDWTI-PMACEKPBSA-N 2 0 332.488 3.208 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@H](C[C@H]2CCOC2)C1 ZINC000685463955 550420160 /nfs/dbraw/zinc/42/01/60/550420160.db2.gz HQEXKSMEJXETRS-ZWKOTPCHSA-N 2 0 340.471 3.214 10 0 EGAERP C[N@H+](Cc1ccncc1)C1CC2(C1)CC[NH+](Cc1ccncc1)CC2 ZINC000096063164 1292946067 /nfs/dbraw/zinc/94/60/67/1292946067.db2.gz XCGOQFDQCOKFMZ-UHFFFAOYSA-N 2 0 336.483 3.353 10 0 EGAERP C[C@@H]1C[C@@H](N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119370240 1293267852 /nfs/dbraw/zinc/26/78/52/1293267852.db2.gz DQULKTWGRDDRJW-CTNGQTDRSA-N 2 0 329.532 3.457 10 0 EGAERP CCC[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000227655642 1296145026 /nfs/dbraw/zinc/14/50/26/1296145026.db2.gz NNFIRNIEYLNZMW-UHFFFAOYSA-N 2 0 327.513 3.096 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH+]1CCC(CC[NH3+])CC1 ZINC000235129560 1296183010 /nfs/dbraw/zinc/18/30/10/1296183010.db2.gz BMGZGVCFIWTJBO-ZDUSSCGKSA-N 2 0 325.294 3.441 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000871358554 1296367102 /nfs/dbraw/zinc/36/71/02/1296367102.db2.gz XMKXZKRCRCJGPT-FDYSRKEFSA-N 2 0 331.504 3.059 10 0 EGAERP Cc1cc(CON=C(N)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)c2ccccc2n1 ZINC000871785042 1296531149 /nfs/dbraw/zinc/53/11/49/1296531149.db2.gz FKFJRVOEVSMYQL-ZXFUBFMLSA-N 2 0 338.455 3.414 10 0 EGAERP CC(C)OC[C@@H](Cc1ccc(F)cc1)[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000872021001 1296663155 /nfs/dbraw/zinc/66/31/55/1296663155.db2.gz MLURMNPDZHZDTG-IEBWSBKVSA-N 2 0 334.479 3.236 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155628 1296772570 /nfs/dbraw/zinc/77/25/70/1296772570.db2.gz WZBFNLYKQKJYTB-CQSZACIVSA-N 2 0 325.884 3.426 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)c1ccccc1 ZINC000305880299 1297063532 /nfs/dbraw/zinc/06/35/32/1297063532.db2.gz UIRBTLCSRJPKEI-CIAFKFPVSA-N 2 0 336.479 3.220 10 0 EGAERP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000305884423 1297064019 /nfs/dbraw/zinc/06/40/19/1297064019.db2.gz HJAXLDCLTDVGNX-YNBOMUFVSA-N 2 0 339.524 3.141 10 0 EGAERP Brc1cnc(C[NH2+][C@@H]2CCCCC23CC[NH2+]CC3)s1 ZINC000873232202 1297371950 /nfs/dbraw/zinc/37/19/50/1297371950.db2.gz BSPQQYXPSNPHNB-LLVKDONJSA-N 2 0 344.322 3.308 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CCN1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000382730302 1297563209 /nfs/dbraw/zinc/56/32/09/1297563209.db2.gz AAGZYBXQFSUJTM-GOSISDBHSA-N 2 0 335.495 3.039 10 0 EGAERP C[C@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659129 1297572632 /nfs/dbraw/zinc/57/26/32/1297572632.db2.gz IWXXWKQPKJYGLB-CVEARBPZSA-N 2 0 339.524 3.273 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@@H+]1CCCC[C@H](C[NH3+])C1 ZINC000388476681 1297601751 /nfs/dbraw/zinc/60/17/51/1297601751.db2.gz RZHWVULMNLNGNE-DZGCQCFKSA-N 2 0 325.294 3.441 10 0 EGAERP C[NH+](C)C1CCC([NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000715273745 1298279618 /nfs/dbraw/zinc/27/96/18/1298279618.db2.gz DNPQIKIVZOWONV-AQFXKWCLSA-N 2 0 339.524 3.238 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)C2CC[NH+](C3CC3)CC2)CC1 ZINC000881628677 1301651949 /nfs/dbraw/zinc/65/19/49/1301651949.db2.gz ZWMSACJEVWLIBM-UHFFFAOYSA-N 2 0 347.547 3.118 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000886868205 1303620200 /nfs/dbraw/zinc/62/02/00/1303620200.db2.gz YDVMNHXWGURYFL-HXUWFJFHSA-N 2 0 340.471 3.135 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]CC[C@@H]1C[C@@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000894359460 1306359207 /nfs/dbraw/zinc/35/92/07/1306359207.db2.gz PKZRSDHIHFHSPP-IEBWSBKVSA-N 2 0 338.499 3.363 10 0 EGAERP Cc1noc2ncc(C[NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)cc12 ZINC000894598268 1308972730 /nfs/dbraw/zinc/97/27/30/1308972730.db2.gz XVGISYDYLPTEOC-KRWDZBQOSA-N 2 0 336.439 3.143 10 0 EGAERP COC(=O)CCCCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894762718 1309055564 /nfs/dbraw/zinc/05/55/64/1309055564.db2.gz YILZCQBGXJKEMH-UFYCRDLUSA-N 2 0 344.499 3.363 10 0 EGAERP CN(Cc1ccns1)Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000895453320 1309345398 /nfs/dbraw/zinc/34/53/98/1309345398.db2.gz IYSYOBXOZNHJAP-UHFFFAOYSA-N 2 0 331.485 3.250 10 0 EGAERP c1ccc([C@@]2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CCCO2)cc1 ZINC000897236538 1310237314 /nfs/dbraw/zinc/23/73/14/1310237314.db2.gz MPCOOLUQPHAIEI-NRFANRHFSA-N 2 0 337.467 3.346 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000929274984 1328554558 /nfs/dbraw/zinc/55/45/58/1328554558.db2.gz DGRVXKYSUMCOHJ-HOTGVXAUSA-N 2 0 334.426 3.294 10 0 EGAERP C[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000929274837 1328554909 /nfs/dbraw/zinc/55/49/09/1328554909.db2.gz BUSNZGPBQUCMFK-MRXNPFEDSA-N 2 0 330.472 3.019 10 0 EGAERP CC(=O)NCCCCC[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000929485217 1328612755 /nfs/dbraw/zinc/61/27/55/1328612755.db2.gz DTMDVWSVVKCUBI-UHFFFAOYSA-N 2 0 345.531 3.137 10 0 EGAERP Cc1cn(C)nc1C[NH+]1CCC(C[N@H+](C)Cc2ccccc2)CC1 ZINC000929486206 1328612860 /nfs/dbraw/zinc/61/28/60/1328612860.db2.gz SBXHJIDZOKNEGD-UHFFFAOYSA-N 2 0 326.488 3.073 10 0 EGAERP c1cc(C[NH+]2CCCCC2)cc(-c2noc(C3=CCC[NH2+]CC3)n2)c1 ZINC000899998730 1317215160 /nfs/dbraw/zinc/21/51/60/1317215160.db2.gz HAUWOXHBXJDHSU-UHFFFAOYSA-N 2 0 338.455 3.489 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCCN(C(=O)OC(C)(C)C)C2CC2)CC1(C)C ZINC000858126032 1328689798 /nfs/dbraw/zinc/68/97/98/1328689798.db2.gz QGUQVHJCFWFMAB-OAHLLOKOSA-N 2 0 339.524 3.238 10 0 EGAERP CC1CC[NH+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)CC1 ZINC000921529899 1322341070 /nfs/dbraw/zinc/34/10/70/1322341070.db2.gz AFNYRBRCJKIXPP-UHFFFAOYSA-N 2 0 344.478 3.374 10 0 EGAERP C[N@H+](C[C@@H]1Cc2ccccc2O[C@H]1C(F)(F)F)C1CCC([NH3+])CC1 ZINC000923294431 1322727030 /nfs/dbraw/zinc/72/70/30/1322727030.db2.gz LRZCOYGKCZTXPE-PBMMVSLJSA-N 2 0 342.405 3.370 10 0 EGAERP c1ccc2c(c1)COC21CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923316241 1322732261 /nfs/dbraw/zinc/73/22/61/1322732261.db2.gz FPWFZQMKPDICRB-JLYLLQBASA-N 2 0 326.484 3.429 10 0 EGAERP Fc1ccccc1[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923380003 1322743191 /nfs/dbraw/zinc/74/31/91/1322743191.db2.gz UFJRLLRLOCRHOZ-FXAWDEMLSA-N 2 0 340.442 3.078 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc(Cl)cc3cccnc31)CC2 ZINC000923451476 1322754257 /nfs/dbraw/zinc/75/42/57/1322754257.db2.gz OCQIJUGAYKMBJN-KRWDZBQOSA-N 2 0 345.874 3.218 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cc3ccccc3nc1Cl)CC2 ZINC000923456023 1322754370 /nfs/dbraw/zinc/75/43/70/1322754370.db2.gz NSFLUXQPRQBYLC-INIZCTEOSA-N 2 0 345.874 3.218 10 0 EGAERP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)n2)cc1F ZINC000923498106 1322762547 /nfs/dbraw/zinc/76/25/47/1322762547.db2.gz JFYXWLLMOJXJMY-IPYPFGDCSA-N 2 0 332.423 3.162 10 0 EGAERP Cc1nn(-c2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923498607 1322762857 /nfs/dbraw/zinc/76/28/57/1322762857.db2.gz HTZYILPUEIVJEZ-ZFWWWQNUSA-N 2 0 332.879 3.251 10 0 EGAERP c1ccc(C[C@@H](Cc2cccnc2)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000924647997 1323092399 /nfs/dbraw/zinc/09/23/99/1323092399.db2.gz JYFHJCPOVJPABU-RTWAWAEBSA-N 2 0 335.495 3.309 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(C)CC1)c1csc(C(F)(F)F)c1 ZINC000924658880 1323098956 /nfs/dbraw/zinc/09/89/56/1323098956.db2.gz NITHEKJFUNMKGB-CYBMUJFWSA-N 2 0 349.466 3.445 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1 ZINC000924941759 1323222531 /nfs/dbraw/zinc/22/25/31/1323222531.db2.gz YLWMMTHAKMNTIC-UHFFFAOYSA-N 2 0 346.515 3.454 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CC4CCC3CC4)cc2)CC1 ZINC000924970488 1323233483 /nfs/dbraw/zinc/23/34/83/1323233483.db2.gz OVWMEMCWYLNUMD-IOYBJCICSA-N 2 0 328.500 3.312 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000924970994 1323234205 /nfs/dbraw/zinc/23/42/05/1323234205.db2.gz REKIHDODSHWECK-LDQXTDLNSA-N 2 0 326.484 3.088 10 0 EGAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@@H]2CCCc3ncc(Br)cc32)C1 ZINC000925013127 1323244632 /nfs/dbraw/zinc/24/46/32/1323244632.db2.gz YPGRWTIVHHPNBD-SWLSCSKDSA-N 2 0 338.293 3.153 10 0 EGAERP CC(C)C[N@H+](C[C@@H]1CC[C@@H](C(F)(F)F)O1)CC1CC[NH+](C)CC1 ZINC000931565544 1329145622 /nfs/dbraw/zinc/14/56/22/1329145622.db2.gz QPHHAUJCBYWAMU-HOTGVXAUSA-N 2 0 336.442 3.396 10 0 EGAERP CC(C)C[N@H+](C[C@H]1CC[C@H](C(F)(F)F)O1)CC1CC[NH+](C)CC1 ZINC000931565545 1329145905 /nfs/dbraw/zinc/14/59/05/1329145905.db2.gz QPHHAUJCBYWAMU-HZPDHXFCSA-N 2 0 336.442 3.396 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCC[C@H]2Cc2cc(C)nn2C)CC1 ZINC000925152213 1325067295 /nfs/dbraw/zinc/06/72/95/1325067295.db2.gz QZCMCOLKSGLMPP-ICSRJNTNSA-N 2 0 332.536 3.151 10 0 EGAERP COc1ccc(CCC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1OC ZINC000925482976 1325170091 /nfs/dbraw/zinc/17/00/91/1325170091.db2.gz VMDHGNURNMTXMR-MOPGFXCFSA-N 2 0 346.515 3.394 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]C[C@@H](c2ccccc2Cl)N2CCCC2)C12CCC2 ZINC000925506441 1325182179 /nfs/dbraw/zinc/18/21/79/1325182179.db2.gz RGTIBIATBDMJFU-KSZLIROESA-N 2 0 333.907 3.336 10 0 EGAERP Cc1nc2ccccc2n1CC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925516567 1325187334 /nfs/dbraw/zinc/18/73/34/1325187334.db2.gz DQSTYWNSBANNFF-QZTJIDSGSA-N 2 0 326.488 3.103 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533165 1325194584 /nfs/dbraw/zinc/19/45/84/1325194584.db2.gz KKZZAOQZQYHDKM-MSOLQXFVSA-N 2 0 331.504 3.164 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C12CCC2 ZINC000925586920 1325221981 /nfs/dbraw/zinc/22/19/81/1325221981.db2.gz VVSGIIZUOMOMKX-SJORKVTESA-N 2 0 342.512 3.125 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCc2nc(-c3ccc(Cl)cc3)no2)C1 ZINC000925597850 1325227854 /nfs/dbraw/zinc/22/78/54/1325227854.db2.gz OJQYPMPXSIBDEH-HUUCEWRRSA-N 2 0 348.878 3.428 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000925599780 1325228320 /nfs/dbraw/zinc/22/83/20/1325228320.db2.gz UGCGKSHWUBQXBX-IRXDYDNUSA-N 2 0 327.472 3.499 10 0 EGAERP C[N@H+](Cc1ccco1)Cc1ccccc1CN[C@@H]1CC[NH2+]C12CCC2 ZINC000925622998 1325234655 /nfs/dbraw/zinc/23/46/55/1325234655.db2.gz NZOZOYHLDCQMBC-HXUWFJFHSA-N 2 0 339.483 3.286 10 0 EGAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000925629989 1325237595 /nfs/dbraw/zinc/23/75/95/1325237595.db2.gz OXNRFJFSKAYKAE-BMFZPTHFSA-N 2 0 328.460 3.336 10 0 EGAERP COc1cccc2[nH]cc(CC[NH2+][C@@H]3CC[NH2+]C[C@H]3C3CCCC3)c21 ZINC000925627176 1325237605 /nfs/dbraw/zinc/23/76/05/1325237605.db2.gz AAAUQKPWMWKZPH-ZWKOTPCHSA-N 2 0 341.499 3.477 10 0 EGAERP Fc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c(F)c1F ZINC000925638241 1325242828 /nfs/dbraw/zinc/24/28/28/1325242828.db2.gz YXYZEHSCSBNBGY-HOCLYGCPSA-N 2 0 326.406 3.404 10 0 EGAERP CC1(C)C[C@@H]([NH2+]C[C@@]2(Cc3ccc(F)cc3)CCC[C@H]2O)C[C@@H]([NH3+])C1 ZINC000925651604 1325246999 /nfs/dbraw/zinc/24/69/99/1325246999.db2.gz HKEVPYBYBIHGIQ-HDAAZOAOSA-N 2 0 348.506 3.395 10 0 EGAERP COCCOCc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925675487 1325258189 /nfs/dbraw/zinc/25/81/89/1325258189.db2.gz HWKMRAGUPQHJHC-SFTDATJTSA-N 2 0 346.515 3.108 10 0 EGAERP C[C@H]1[C@H]2CC[C@@H](C[C@H]1[NH2+][C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725702 1325270725 /nfs/dbraw/zinc/27/07/25/1325270725.db2.gz NCBBRPASHRLAFV-CDCDMVGVSA-N 2 0 347.300 3.206 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925773239 1325293804 /nfs/dbraw/zinc/29/38/04/1325293804.db2.gz ANMRBUQAOIPADD-PLMTUMEDSA-N 2 0 342.483 3.181 10 0 EGAERP COCCC[C@H](N[C@@H]1C[NH2+]C[C@H]1C)c1ccc(Br)cc1 ZINC000925780483 1325299055 /nfs/dbraw/zinc/29/90/55/1325299055.db2.gz ANMNAIDKAABCFM-UHOFOFEASA-N 2 0 341.293 3.114 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1nccc2c1CCCC2 ZINC000925804702 1325307489 /nfs/dbraw/zinc/30/74/89/1325307489.db2.gz BMRJOKAGIOEYBN-KNQAVFIVSA-N 2 0 349.478 3.306 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)c2ccccc12 ZINC000925807392 1325310261 /nfs/dbraw/zinc/31/02/61/1325310261.db2.gz AIMIGHUVJHXRDM-GBESFXJTSA-N 2 0 325.456 3.341 10 0 EGAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]C1CCC(C)([NH+]2CCCC2)CC1 ZINC000925822228 1325317612 /nfs/dbraw/zinc/31/76/12/1325317612.db2.gz KKPNOYRMPLTKEW-MAKTXDPSSA-N 3 0 329.532 3.332 10 0 EGAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c1C ZINC000925840168 1325323682 /nfs/dbraw/zinc/32/36/82/1325323682.db2.gz HPIPDCGLSXIIDQ-QKYXUNIQSA-N 2 0 329.488 3.142 10 0 EGAERP CC(C)Oc1ccc([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925844339 1325326606 /nfs/dbraw/zinc/32/66/06/1325326606.db2.gz JTKYYLCZSJSLBI-SFHVURJKSA-N 2 0 333.520 3.200 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2ccccc2s1 ZINC000925850001 1325329387 /nfs/dbraw/zinc/32/93/87/1325329387.db2.gz LKJHXJCXEQDMQP-HIFRSBDPSA-N 2 0 344.480 3.237 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)s1 ZINC000925852813 1325330166 /nfs/dbraw/zinc/33/01/66/1325330166.db2.gz IIUQMANDXUWSMQ-VXGBXAGGSA-N 2 0 342.892 3.128 10 0 EGAERP O=C1O[C@@H](C[NH2+]C2CCC(C3CCCCC3)CC2)CC12CC[NH2+]CC2 ZINC000925853485 1325331546 /nfs/dbraw/zinc/33/15/46/1325331546.db2.gz ZEHHRPNXYLZIFM-CTWPCTMYSA-N 2 0 348.531 3.400 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)ccn1 ZINC000926694205 1327669698 /nfs/dbraw/zinc/66/96/98/1327669698.db2.gz REIFLZLJABJCDL-RTWAWAEBSA-N 2 0 343.515 3.088 10 0 EGAERP O[C@H]1C[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000926712709 1327679973 /nfs/dbraw/zinc/67/99/73/1327679973.db2.gz IIIHDPDWGCXBHP-VKQJQLINSA-N 2 0 340.511 3.465 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@]3(CO[C@H](C)[C@@H]3C)O2)CC1 ZINC000926879770 1327753514 /nfs/dbraw/zinc/75/35/14/1327753514.db2.gz WJCIZERZITXLEL-KVPLUYHFSA-N 2 0 338.536 3.059 10 0 EGAERP C[C@@H]1[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000926893421 1327761140 /nfs/dbraw/zinc/76/11/40/1327761140.db2.gz QHPVQFGSIHMGCD-FWZVCBSNSA-N 2 0 327.516 3.254 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[C@@H]3SCCS[C@H]23)CC1 ZINC000927039917 1327827516 /nfs/dbraw/zinc/82/75/16/1327827516.db2.gz XOEFEYRGJHHXAK-ILZRDFNYSA-N 2 0 326.575 3.363 10 0 EGAERP CCc1noc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](CCC(C)C)CC3)C2)n1 ZINC000927052007 1327830637 /nfs/dbraw/zinc/83/06/37/1327830637.db2.gz IPFUTBGNYAVMNV-NVXWUHKLSA-N 2 0 334.508 3.368 10 0 EGAERP COc1ccc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)cc1C[NH+]1CCCCC1 ZINC000863548476 1329562160 /nfs/dbraw/zinc/56/21/60/1329562160.db2.gz XQNXHFHXQOVGIA-UWVAXJGDSA-N 2 0 345.531 3.472 10 0 EGAERP C[N@@H+]1C[C@@H]2C[NH+](CCC(=O)Nc3cccc4ccccc43)C[C@]2(C)C1 ZINC000933738133 1329918565 /nfs/dbraw/zinc/91/85/65/1329918565.db2.gz GUBPSJUZIDCSSN-UTKZUKDTSA-N 2 0 337.467 3.052 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866230923 1330081448 /nfs/dbraw/zinc/08/14/48/1330081448.db2.gz IJDBJRQKDPDPKX-UZLBHIALSA-N 2 0 333.495 3.066 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468117 1330116209 /nfs/dbraw/zinc/11/62/09/1330116209.db2.gz AZOVJAYYHVREKM-MRXNPFEDSA-N 2 0 326.525 3.454 10 0 EGAERP CCOC(=O)C(F)(F)[C@H]1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000866515830 1330120528 /nfs/dbraw/zinc/12/05/28/1330120528.db2.gz JQMJCZIAHNXBDK-BOLLXYOYSA-N 2 0 346.462 3.206 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1cccc(-n2ccnn2)c1 ZINC000866517598 1330121150 /nfs/dbraw/zinc/12/11/50/1330121150.db2.gz JRQJHVQGGMBOLH-DMKPSLHHSA-N 2 0 327.476 3.181 10 0 EGAERP C(NC1CC[NH+](C[C@@H]2CCCO2)CC1)[C@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562451 1330126936 /nfs/dbraw/zinc/12/69/36/1330126936.db2.gz SFMFJPVDXVRTTM-RTWAWAEBSA-N 2 0 349.563 3.017 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCCC2)CC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001323565566 1387390921 /nfs/dbraw/zinc/39/09/21/1387390921.db2.gz CPELPANGBSREDZ-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001323641016 1387415844 /nfs/dbraw/zinc/41/58/44/1387415844.db2.gz GRAKKCKNPWKJIG-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001323694414 1387422900 /nfs/dbraw/zinc/42/29/00/1387422900.db2.gz YEEMGFRKBBINJK-MOPGFXCFSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001323813943 1387466062 /nfs/dbraw/zinc/46/60/62/1387466062.db2.gz VTIPOYRVQSREGN-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001324091254 1387537957 /nfs/dbraw/zinc/53/79/57/1387537957.db2.gz UJEUVELSPISVAL-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)CCCC[NH+](C)C ZINC001324097603 1387540515 /nfs/dbraw/zinc/54/05/15/1387540515.db2.gz LNHBZXAXWCLNDB-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C)C1 ZINC001324098164 1387540924 /nfs/dbraw/zinc/54/09/24/1387540924.db2.gz PRNXLTXLDKKCSK-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001324236969 1387564691 /nfs/dbraw/zinc/56/46/91/1387564691.db2.gz RSBMKRBHRPDLMV-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001324335089 1387596139 /nfs/dbraw/zinc/59/61/39/1387596139.db2.gz PBUMIZBJNXOQAT-JLAWEPINSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](Cc2ccc(F)cc2)CC1 ZINC001324339531 1387598145 /nfs/dbraw/zinc/59/81/45/1387598145.db2.gz ISLWAOYXYXATCR-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CC=C(C)C)C2CCCC2)C1 ZINC001324495799 1387648587 /nfs/dbraw/zinc/64/85/87/1387648587.db2.gz QRDHBHXBYGQCFY-WOJBJXKFSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1)[NH+](C)C ZINC001324511108 1387657326 /nfs/dbraw/zinc/65/73/26/1387657326.db2.gz YAJQHAXCWCSNKK-MSOLQXFVSA-N 2 0 339.568 3.273 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001324752149 1387760381 /nfs/dbraw/zinc/76/03/81/1387760381.db2.gz OYLFYYPDUWEOHH-CTNGQTDRSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001324892664 1387808006 /nfs/dbraw/zinc/80/80/06/1387808006.db2.gz MNNMLNFOLOEJNV-OALUTQOASA-N 2 0 347.547 3.188 10 0 EGAERP Cn1cncc1C1CCN(Cc2ccn(-c3ccccc3F)n2)CC1 ZINC001198772034 1369109447 /nfs/dbraw/zinc/10/94/47/1369109447.db2.gz XNACQPSXWWDXOC-UHFFFAOYSA-N 2 0 339.418 3.125 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1=CCCCC1 ZINC001325628896 1388015284 /nfs/dbraw/zinc/01/52/84/1388015284.db2.gz GJHVTBXCHSQJCL-ACDBMABISA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@@H]2C[N@@H+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778126 1388045016 /nfs/dbraw/zinc/04/50/16/1388045016.db2.gz CBPAHXRLVGFACJ-CADBVGFASA-N 2 0 349.563 3.076 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001325896064 1388069045 /nfs/dbraw/zinc/06/90/45/1388069045.db2.gz BUMWUSZEBWNNCM-LXORQPIJSA-N 2 0 347.547 3.282 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001118804793 1371232951 /nfs/dbraw/zinc/23/29/51/1371232951.db2.gz QBFKSADRAHVXKI-PMPSAXMXSA-N 2 0 339.524 3.237 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(-c3cnn(C)c3)cc2)CCN1c1cc[nH+]cc1 ZINC001119516241 1371360646 /nfs/dbraw/zinc/36/06/46/1371360646.db2.gz SETZZAGLSLFERT-QGZVFWFLSA-N 2 0 347.466 3.193 10 0 EGAERP CC(C)=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC001326457628 1388196320 /nfs/dbraw/zinc/19/63/20/1388196320.db2.gz CXQVVJIGDJTOSK-GOSISDBHSA-N 2 0 343.515 3.043 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326479566 1388208695 /nfs/dbraw/zinc/20/86/95/1388208695.db2.gz IOBRJUOIYACXGF-HOQHSMRBSA-N 2 0 343.515 3.404 10 0 EGAERP CC[C@H](C(=O)NCc1cccc2c1CC[N@@H+](C[C@@H](C)CC)C2)[NH+](C)C ZINC001326675711 1388279115 /nfs/dbraw/zinc/27/91/15/1388279115.db2.gz RFPZPPAQSYFDCV-OXJNMPFZSA-N 2 0 345.531 3.047 10 0 EGAERP CCc1ccc(C[N@H+]2CCC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2)cc1 ZINC001327132360 1388395579 /nfs/dbraw/zinc/39/55/79/1388395579.db2.gz YHZVTVWJKMDTQE-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC(C)(C)C)C1)[NH+](C)C ZINC001266103023 1377187052 /nfs/dbraw/zinc/18/70/52/1377187052.db2.gz NYTRCPDPCRFWDN-IAGOWNOFSA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001266113140 1377190336 /nfs/dbraw/zinc/19/03/36/1377190336.db2.gz IHSFULRLRZHDIM-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001266116904 1377194299 /nfs/dbraw/zinc/19/42/99/1377194299.db2.gz OJFLTXJOCKZVLV-PSUNPMBVSA-N 2 0 337.552 3.242 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266144165 1377205872 /nfs/dbraw/zinc/20/58/72/1377205872.db2.gz MKCBZHRZILFMCE-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1ccc(C)cc1 ZINC001266579284 1377337090 /nfs/dbraw/zinc/33/70/90/1377337090.db2.gz LVCHJPWTCYAJGJ-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1C[C@H]([NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001266616581 1377346365 /nfs/dbraw/zinc/34/63/65/1377346365.db2.gz DBEFKPCUOVERPL-VNGAXPGBSA-N 2 0 337.552 3.027 10 0 EGAERP O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001136342756 1377379945 /nfs/dbraw/zinc/37/99/45/1377379945.db2.gz BXJGKDIMVZLNNO-GOSISDBHSA-N 2 0 347.478 3.087 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001136715512 1377417779 /nfs/dbraw/zinc/41/77/79/1377417779.db2.gz RFBSQHSSQKTUBY-SJLPKXTDSA-N 2 0 347.503 3.076 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001267180372 1377426173 /nfs/dbraw/zinc/42/61/73/1377426173.db2.gz ZJFVLPDTBUOLOQ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@@H]2CCCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001267180859 1377427135 /nfs/dbraw/zinc/42/71/35/1377427135.db2.gz DAWRDBAKKGOMJY-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456410 1377445672 /nfs/dbraw/zinc/44/56/72/1377445672.db2.gz WLNUHLFJZFLCKT-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267807469 1377470855 /nfs/dbraw/zinc/47/08/55/1377470855.db2.gz XFYVWZULAOEETK-PMACEKPBSA-N 2 0 345.531 3.162 10 0 EGAERP CC/C=C\CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001268197613 1377492215 /nfs/dbraw/zinc/49/22/15/1377492215.db2.gz IUFGNSFPJACFAW-CWHLKURSSA-N 2 0 349.563 3.243 10 0 EGAERP CCN(C(=O)[C@@H](CC(C)C)n1ccnc1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001269331928 1377550834 /nfs/dbraw/zinc/55/08/34/1377550834.db2.gz PKVODUNPKLCCKM-RBUKOAKNSA-N 2 0 346.519 3.193 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2CC)CC1)c1ccccc1 ZINC001269544917 1377557884 /nfs/dbraw/zinc/55/78/84/1377557884.db2.gz XKOGZRUFSYRBOW-RBUKOAKNSA-N 2 0 343.515 3.251 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001270830922 1377615455 /nfs/dbraw/zinc/61/54/55/1377615455.db2.gz UUINGSMMHGSHLQ-QUCCMNQESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC001271591827 1377642422 /nfs/dbraw/zinc/64/24/22/1377642422.db2.gz NLUOGHHAQBTCPQ-LJQANCHMSA-N 2 0 346.519 3.299 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001271939472 1377653576 /nfs/dbraw/zinc/65/35/76/1377653576.db2.gz FQCNDMMRPINQFS-VQTJNVASSA-N 2 0 345.531 3.037 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272782806 1378081278 /nfs/dbraw/zinc/08/12/78/1378081278.db2.gz PEQAXWSVNBAKNU-LPHOPBHVSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001277473310 1378225996 /nfs/dbraw/zinc/22/59/96/1378225996.db2.gz BXUBPIPOHLJCKJ-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001278664548 1378286466 /nfs/dbraw/zinc/28/64/66/1378286466.db2.gz ZAEODTKBWYWEGF-TZIWHRDSSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001280262907 1378337537 /nfs/dbraw/zinc/33/75/37/1378337537.db2.gz AJMXQHNJCVDNIH-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP O=C([C@H]1CC[C@@H]2CCCC[N@H+]12)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001141669458 1378360591 /nfs/dbraw/zinc/36/05/91/1378360591.db2.gz RQDNQRNTSSMGKK-VQTJNVASSA-N 2 0 347.547 3.260 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001282240402 1378492479 /nfs/dbraw/zinc/49/24/79/1378492479.db2.gz DDQYSMKJELNBNB-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP C[NH+](C)C1(C(=O)NC2CC[NH+](CC3CCCCC3)CC2)CCCC1 ZINC001142880280 1378503057 /nfs/dbraw/zinc/50/30/57/1378503057.db2.gz ISEVPHGCDRAXIJ-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001282647012 1378521553 /nfs/dbraw/zinc/52/15/53/1378521553.db2.gz GUHJTBPGJSQWSC-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001282741447 1378592901 /nfs/dbraw/zinc/59/29/01/1378592901.db2.gz SKIFCKOMHVXFFW-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834335 1378635677 /nfs/dbraw/zinc/63/56/77/1378635677.db2.gz QELJELYZMIFMQC-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001282947473 1378680683 /nfs/dbraw/zinc/68/06/83/1378680683.db2.gz LBHFNNORSHZQGR-OTWHNJEPSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001283531271 1379003900 /nfs/dbraw/zinc/00/39/00/1379003900.db2.gz WJJLWEAPRLRNBC-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001327696442 1388586193 /nfs/dbraw/zinc/58/61/93/1388586193.db2.gz SPZFCYXIIDLHTR-IRXDYDNUSA-N 2 0 343.515 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1cccc(CC)c1 ZINC001283623934 1379061983 /nfs/dbraw/zinc/06/19/83/1379061983.db2.gz XRKLRIADZUBSOH-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001283724702 1379146996 /nfs/dbraw/zinc/14/69/96/1379146996.db2.gz VDQHUDIRSNORCR-JLAWEPINSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001284071822 1379435438 /nfs/dbraw/zinc/43/54/38/1379435438.db2.gz ZYSKCSNLXUMWIK-DAHFBQOPSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@@H]21 ZINC001284104902 1379477906 /nfs/dbraw/zinc/47/79/06/1379477906.db2.gz ZVZWUKRLOFPVTD-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001284131666 1379513510 /nfs/dbraw/zinc/51/35/10/1379513510.db2.gz NJGCVOVWROTWKC-HEVSSNLLSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297482 1379685182 /nfs/dbraw/zinc/68/51/82/1379685182.db2.gz URLGYJUXLJDDOI-IAGOWNOFSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001284334786 1379729755 /nfs/dbraw/zinc/72/97/55/1379729755.db2.gz HFJPQYIAJMQDBL-HKUYNNGSSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1nc[nH]c1CC(=O)N(CC[N@H+](C)CC1CCCCCC1)C(C)C ZINC001284558181 1379967646 /nfs/dbraw/zinc/96/76/46/1379967646.db2.gz JZRJJYVVLVASQI-UHFFFAOYSA-N 2 0 348.535 3.400 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)CCc1c[nH]cn1 ZINC001284596624 1379997525 /nfs/dbraw/zinc/99/75/25/1379997525.db2.gz ACDNRHGSEVOCAU-GOSISDBHSA-N 2 0 348.535 3.433 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@H]1CCc2ccccc21)C(C)(C)C ZINC001284653593 1380069729 /nfs/dbraw/zinc/06/97/29/1380069729.db2.gz SSOOYSUUEGGKKK-RBUKOAKNSA-N 2 0 345.531 3.135 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001328039257 1388651107 /nfs/dbraw/zinc/65/11/07/1388651107.db2.gz OYTAIINEQUBINU-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CN(C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21)C(C)(C)C[NH+]1CCCCCC1 ZINC001154825622 1380359317 /nfs/dbraw/zinc/35/93/17/1380359317.db2.gz VDKLWETYNTWQID-ROUUACIJSA-N 2 0 335.536 3.116 10 0 EGAERP CC[N@H+](CCC(C)(C)C)CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001328588393 1388783585 /nfs/dbraw/zinc/78/35/85/1388783585.db2.gz DVMCOGCAIRAWNU-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001328589331 1388785323 /nfs/dbraw/zinc/78/53/23/1388785323.db2.gz YWDSIIOXTJQXAN-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001328733972 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ZINC001317414975 1385125280 /nfs/dbraw/zinc/12/52/80/1385125280.db2.gz GIPZRYCCGQXLKV-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416173 1385125818 /nfs/dbraw/zinc/12/58/18/1385125818.db2.gz SOAYCPIXQCLMLO-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001317478816 1385175043 /nfs/dbraw/zinc/17/50/43/1385175043.db2.gz XZEKCDARZWQDRX-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317507001 1385214645 /nfs/dbraw/zinc/21/46/45/1385214645.db2.gz AYBVNYDDZFZJBO-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CN(CC[NH2+]Cc1ccccc1F)C(=O)CC[N@H+](C)C1CCCCC1 ZINC001317614029 1385354569 /nfs/dbraw/zinc/35/45/69/1385354569.db2.gz BCXYDPHAWGCWMS-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001317676676 1385383482 /nfs/dbraw/zinc/38/34/82/1385383482.db2.gz MTPMJSWAGNSWGS-QGZVFWFLSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([C@H](C)[NH2+]CCC3CC3)CC2)C1 ZINC001317678743 1385386973 /nfs/dbraw/zinc/38/69/73/1385386973.db2.gz ULYUWCVAOQZDKB-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]([NH2+]CC1CCCC1)c1ccccc1)C1CCC1 ZINC001317721349 1385421827 /nfs/dbraw/zinc/42/18/27/1385421827.db2.gz ULMWSUGJVYJXGX-FQEVSTJZSA-N 2 0 343.515 3.108 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001317770878 1385462036 /nfs/dbraw/zinc/46/20/36/1385462036.db2.gz WUWUHUVRRBZINT-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[NH2+]CC1(NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001318636119 1385808633 /nfs/dbraw/zinc/80/86/33/1385808633.db2.gz LVBPTJATZDWYCB-KRWDZBQOSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001318655285 1385819574 /nfs/dbraw/zinc/81/95/74/1385819574.db2.gz CIDYDNYXGKHEJJ-SFHVURJKSA-N 2 0 335.536 3.236 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001318999841 1385918326 /nfs/dbraw/zinc/91/83/26/1385918326.db2.gz DQXLAXJKMQIIAS-IBGZPJMESA-N 2 0 331.504 3.065 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1)CC(C)(C)C ZINC001319374107 1386087646 /nfs/dbraw/zinc/08/76/46/1386087646.db2.gz DFIPQCXTVDAPJD-UHFFFAOYSA-N 2 0 339.568 3.419 10 0 EGAERP CC[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC001319385042 1386094672 /nfs/dbraw/zinc/09/46/72/1386094672.db2.gz YXWSCVKTEXBMDN-CEWLAPEOSA-N 3 0 329.532 3.219 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CCC3=CCCCC3)C2)CC1 ZINC001319412233 1386109636 /nfs/dbraw/zinc/10/96/36/1386109636.db2.gz MPKYXWLTLOSZIE-UHFFFAOYSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001319589505 1386192856 /nfs/dbraw/zinc/19/28/56/1386192856.db2.gz KMJWWXRRZQBKLS-ADYPVZHUSA-N 2 0 343.515 3.012 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001319649114 1386231605 /nfs/dbraw/zinc/23/16/05/1386231605.db2.gz VWIDHTFCMIZKII-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CCCCC2)C1 ZINC001319663803 1386242392 /nfs/dbraw/zinc/24/23/92/1386242392.db2.gz PESNMMCJWFQZGY-ICSRJNTNSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001319759362 1386284285 /nfs/dbraw/zinc/28/42/85/1386284285.db2.gz WQKCLXZZWPJHAK-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001319887620 1386362422 /nfs/dbraw/zinc/36/24/22/1386362422.db2.gz HHLYLTRJXFPLCW-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C(C)C)C1 ZINC001319934943 1386401620 /nfs/dbraw/zinc/40/16/20/1386401620.db2.gz GTJVPHFIBFVEIQ-QZTJIDSGSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CCC2=CCCCC2)C1 ZINC001320117059 1386523824 /nfs/dbraw/zinc/52/38/24/1386523824.db2.gz WEVBVLIJCVJALN-VQTJNVASSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320145995 1386534945 /nfs/dbraw/zinc/53/49/45/1386534945.db2.gz JRGMPCRHOPFBNV-OALUTQOASA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[NH2+]C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CCCC[C@@H]1C ZINC001698659493 1406310241 /nfs/dbraw/zinc/31/02/41/1406310241.db2.gz GXCWXJZPCLSAHZ-ICSRJNTNSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@H]1CCC[N@@H+]1CC(C)C ZINC001320778961 1386715778 /nfs/dbraw/zinc/71/57/78/1386715778.db2.gz ZYCYCFCXFDSRLU-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001698670200 1406319815 /nfs/dbraw/zinc/31/98/15/1406319815.db2.gz ATBNBEBNXLBSTI-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C/C=C/CNC(=O)CC2CC[NH+](C)CC2)c1 ZINC001321281414 1386865545 /nfs/dbraw/zinc/86/55/45/1386865545.db2.gz QIJPWQDBXBUKAP-SHCNBLLESA-N 2 0 343.515 3.050 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001321958628 1387018430 /nfs/dbraw/zinc/01/84/30/1387018430.db2.gz PYHGTJPFCNCIJE-OKYOBFRVSA-N 2 0 345.531 3.189 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001321958629 1387018812 /nfs/dbraw/zinc/01/88/12/1387018812.db2.gz PYHGTJPFCNCIJE-VJANTYMQSA-N 2 0 345.531 3.189 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001322003959 1387028863 /nfs/dbraw/zinc/02/88/63/1387028863.db2.gz IBQZYGBCBBDPPQ-PKOBYXMFSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCCCC1 ZINC001322003993 1387028879 /nfs/dbraw/zinc/02/88/79/1387028879.db2.gz JLMGFJQTRWROKL-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001322544246 1387203253 /nfs/dbraw/zinc/20/32/53/1387203253.db2.gz UHRFJBAIWXXMPC-HXUWFJFHSA-N 2 0 343.515 3.032 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001322852435 1387247176 /nfs/dbraw/zinc/24/71/76/1387247176.db2.gz OLQSMQMASDTJJD-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[N@H+](C)CC1CCCC1 ZINC001329450324 1389115185 /nfs/dbraw/zinc/11/51/85/1389115185.db2.gz MCSSRNIKUWTBAC-AWEZNQCLSA-N 2 0 337.533 3.050 10 0 EGAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001329591578 1389170669 /nfs/dbraw/zinc/17/06/69/1389170669.db2.gz CKCKINPJUIUQHE-OXJNMPFZSA-N 2 0 341.499 3.117 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCCCC2)CC1 ZINC001698717356 1406360982 /nfs/dbraw/zinc/36/09/82/1406360982.db2.gz MBSUIZOUGDBRBE-WGSAOQKQSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[NH2+][C@H]1CC[NH2+]CC(C)(C)C1 ZINC001329701055 1389204718 /nfs/dbraw/zinc/20/47/18/1389204718.db2.gz FVEUEDQMPWJAGW-HNNXBMFYSA-N 2 0 336.549 3.310 10 0 EGAERP CC[C@H](C)C[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@@H+]2C)CCCCC1 ZINC001329825164 1389232309 /nfs/dbraw/zinc/23/23/09/1389232309.db2.gz NCZDHUGSEDXOEN-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045740 1389293647 /nfs/dbraw/zinc/29/36/47/1389293647.db2.gz DPZOBRGYHCQFKO-YLJYHZDGSA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001330086392 1389305367 /nfs/dbraw/zinc/30/53/67/1389305367.db2.gz QEIRTQLVUAVXPN-AQIYZVDXSA-N 2 0 349.563 3.290 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001698726068 1406376424 /nfs/dbraw/zinc/37/64/24/1406376424.db2.gz KOKHMJLGWLPJNP-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001330515445 1389441874 /nfs/dbraw/zinc/44/18/74/1389441874.db2.gz YAXUZQDVNAYLIH-ARJAWSKDSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001698727130 1406377854 /nfs/dbraw/zinc/37/78/54/1406377854.db2.gz SWHMLPSSLPCTFO-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001330709497 1389505429 /nfs/dbraw/zinc/50/54/29/1389505429.db2.gz VJWDHZSRVGZMBZ-BHIYHBOVSA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001331030250 1389602568 /nfs/dbraw/zinc/60/25/68/1389602568.db2.gz VRCNPBWYFORVLZ-YLJYHZDGSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748722 1406398996 /nfs/dbraw/zinc/39/89/96/1406398996.db2.gz PALFMNDWTAUXPK-MJGOQNOKSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)C[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001331601745 1389823368 /nfs/dbraw/zinc/82/33/68/1389823368.db2.gz UTMMSAHSHSRHRC-QGZVFWFLSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001331642691 1389841287 /nfs/dbraw/zinc/84/12/87/1389841287.db2.gz BSWOVRSBZDZKHK-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331651346 1389847875 /nfs/dbraw/zinc/84/78/75/1389847875.db2.gz XBQITSPPCSUNJS-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCCCC1)CC2 ZINC001332109287 1389988129 /nfs/dbraw/zinc/98/81/29/1389988129.db2.gz FSUUIHYJUUXBCA-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001332183694 1390026540 /nfs/dbraw/zinc/02/65/40/1390026540.db2.gz FEUYHZDIQUXLKW-LPHOPBHVSA-N 2 0 342.487 3.416 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001332221649 1390054530 /nfs/dbraw/zinc/05/45/30/1390054530.db2.gz ZNBRWPPMBSDVHA-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C(=O)C2CC[NH+](C)CC2)C(C)C)c1 ZINC001332722158 1390168429 /nfs/dbraw/zinc/16/84/29/1390168429.db2.gz GBRPYTVFLCJWPW-UHFFFAOYSA-N 2 0 345.531 3.006 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786687 1390188245 /nfs/dbraw/zinc/18/82/45/1390188245.db2.gz CWLMXTYFKVMSSY-RTBURBONSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332788902 1390188853 /nfs/dbraw/zinc/18/88/53/1390188853.db2.gz KDXWMRJGDUZLDD-ROUUACIJSA-N 2 0 339.568 3.416 10 0 EGAERP C[C@H](c1cccc(F)c1)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001332999269 1390233909 /nfs/dbraw/zinc/23/39/09/1390233909.db2.gz SQBBQYDVCDCITQ-JKSUJKDBSA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001333075196 1390245832 /nfs/dbraw/zinc/24/58/32/1390245832.db2.gz HZGDQQAPWGKOTR-DAWZGUTISA-N 2 0 337.552 3.266 10 0 EGAERP c1ccc2c(c1)[nH]c1c2CCC[C@H]1[NH2+]CCCCCN1CC[NH2+]CC1 ZINC001334389434 1390530162 /nfs/dbraw/zinc/53/01/62/1390530162.db2.gz GSYOVOKVUHGNMI-HXUWFJFHSA-N 2 0 340.515 3.210 10 0 EGAERP Cc1ccc(C[NH+]2CC[C@@H](C[N@@H+](C)CC3CCC(O)CC3)C2)s1 ZINC001347113525 1391002107 /nfs/dbraw/zinc/00/21/07/1391002107.db2.gz HHTORFNWCWDZSS-ADKAHSJRSA-N 2 0 336.545 3.361 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CCCC1 ZINC001698804512 1406484576 /nfs/dbraw/zinc/48/45/76/1406484576.db2.gz VQZKAMLPVLWEFY-ROUUACIJSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001488642530 1391693070 /nfs/dbraw/zinc/69/30/70/1391693070.db2.gz UAPAMXVCFCIOMN-SFHVURJKSA-N 2 0 337.552 3.218 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827689 1406520782 /nfs/dbraw/zinc/52/07/82/1406520782.db2.gz HGHLGUNBHYSRNI-PXNSSMCTSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001479397844 1392233377 /nfs/dbraw/zinc/23/33/77/1392233377.db2.gz DSSQGBXBWAJGPR-KZNAEPCWSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001479487059 1392254381 /nfs/dbraw/zinc/25/43/81/1392254381.db2.gz QEUTVBZOACALMJ-IPMKNSEASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479523516 1392268144 /nfs/dbraw/zinc/26/81/44/1392268144.db2.gz FQSYGJYGQLIXBF-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001479565817 1392277166 /nfs/dbraw/zinc/27/71/66/1392277166.db2.gz VPKBPJSYNNEZRM-BNLAEDIXSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1)[NH+](C)C ZINC001479573342 1392279144 /nfs/dbraw/zinc/27/91/44/1392279144.db2.gz XHRWEOHZTAUMII-NEWSRXKRSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCC2CC2)C1)[NH+](CC)CC ZINC001479691596 1392322979 /nfs/dbraw/zinc/32/29/79/1392322979.db2.gz CQRLTCMWTDPQJJ-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1)C12CC[NH+](CC1)C2 ZINC001479694694 1392325536 /nfs/dbraw/zinc/32/55/36/1392325536.db2.gz QWSFRLBTERTZDN-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001479735250 1392346635 /nfs/dbraw/zinc/34/66/35/1392346635.db2.gz OODAYKIHKNAWDB-IEVDXQOXSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCCC1CCC1)[NH+](C)C ZINC001479738199 1392350221 /nfs/dbraw/zinc/35/02/21/1392350221.db2.gz XZEROAZGHGGURI-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cc(C)ccc1C ZINC001698857066 1406564494 /nfs/dbraw/zinc/56/44/94/1406564494.db2.gz YRCUGCKHAKITAM-QZTJIDSGSA-N 2 0 333.520 3.143 10 0 EGAERP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)C1)C1CCCCC1 ZINC001479959090 1392495786 /nfs/dbraw/zinc/49/57/86/1392495786.db2.gz ABMKJVFJCOOZCQ-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001479984071 1392516915 /nfs/dbraw/zinc/51/69/15/1392516915.db2.gz NWWYPVNQKRVWLZ-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001479984373 1392516994 /nfs/dbraw/zinc/51/69/94/1392516994.db2.gz BCASLODZGNEBOM-JTHGQSKGSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480042930 1392548241 /nfs/dbraw/zinc/54/82/41/1392548241.db2.gz LLEFBMLHZORGGI-VQTJNVASSA-N 2 0 347.547 3.234 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001480060463 1392556380 /nfs/dbraw/zinc/55/63/80/1392556380.db2.gz QTBFFRKJMCPRTA-IEBWSBKVSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@H+](CC1CCC1)C[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480088703 1392579338 /nfs/dbraw/zinc/57/93/38/1392579338.db2.gz CHALOGXPNLDHPR-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@@H]([NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001480208345 1392623177 /nfs/dbraw/zinc/62/31/77/1392623177.db2.gz SHPIAGSBJYXUJS-HDICACEKSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001480283333 1392658756 /nfs/dbraw/zinc/65/87/56/1392658756.db2.gz IXEXLRRCBIVKGC-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480305263 1392668513 /nfs/dbraw/zinc/66/85/13/1392668513.db2.gz QVBWKQLLUKXDHC-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP CC[C@@H](F)C[NH2+]C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001480367733 1392710620 /nfs/dbraw/zinc/71/06/20/1392710620.db2.gz LVLMFDMJVZYLGS-MOPGFXCFSA-N 2 0 349.494 3.081 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001480411803 1392747085 /nfs/dbraw/zinc/74/70/85/1392747085.db2.gz UQVIMJGSSIQGCP-ARJAWSKDSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460627 1392759681 /nfs/dbraw/zinc/75/96/81/1392759681.db2.gz WXRBTNSJWAFMQG-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001480597275 1392812370 /nfs/dbraw/zinc/81/23/70/1392812370.db2.gz OIBOUFNQEBRQCL-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)CCCCC1 ZINC001480617847 1392822344 /nfs/dbraw/zinc/82/23/44/1392822344.db2.gz GZELUJGHKAJKBV-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001480623084 1392825823 /nfs/dbraw/zinc/82/58/23/1392825823.db2.gz NHSLYXFZZAJJMI-IBGZPJMESA-N 2 0 345.531 3.232 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480697900 1392861590 /nfs/dbraw/zinc/86/15/90/1392861590.db2.gz JAGAYOFJQXVOJZ-WIJVFFIESA-N 2 0 335.536 3.234 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001480705245 1392867823 /nfs/dbraw/zinc/86/78/23/1392867823.db2.gz OLEDTUJHDZEOFX-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)cc1 ZINC001480742567 1392909004 /nfs/dbraw/zinc/90/90/04/1392909004.db2.gz NPXHCOJIIASNPP-HXUWFJFHSA-N 2 0 345.531 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001480786031 1392932623 /nfs/dbraw/zinc/93/26/23/1392932623.db2.gz KMUKKZMFTFXMEW-MJGOQNOKSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001698875806 1406599971 /nfs/dbraw/zinc/59/99/71/1406599971.db2.gz PVUJHUJTLYAYDI-KRWDZBQOSA-N 2 0 342.487 3.343 10 0 EGAERP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001480812823 1392950854 /nfs/dbraw/zinc/95/08/54/1392950854.db2.gz CXVULPZRXJSNTN-YLJYHZDGSA-N 2 0 343.515 3.034 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCC1CCCCC1 ZINC001480996073 1393075400 /nfs/dbraw/zinc/07/54/00/1393075400.db2.gz LPWDLMJFBOTITL-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481095841 1393118811 /nfs/dbraw/zinc/11/88/11/1393118811.db2.gz NQRTWDGJJYJZGA-QUOWSDGJSA-N 2 0 347.547 3.188 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001481108126 1393121590 /nfs/dbraw/zinc/12/15/90/1393121590.db2.gz PPYHFGNSXRSUKE-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1ccccc1F ZINC001481143500 1393132275 /nfs/dbraw/zinc/13/22/75/1393132275.db2.gz FCROAWBSAVMRNR-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCCC2)C1 ZINC001698883011 1406614321 /nfs/dbraw/zinc/61/43/21/1406614321.db2.gz NZNUNVVCDVIGTE-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccsc1 ZINC001698918359 1406652404 /nfs/dbraw/zinc/65/24/04/1406652404.db2.gz XRGKPKPXSDBTQS-ROUUACIJSA-N 2 0 349.544 3.093 10 0 EGAERP CC/C=C\CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001481365789 1394205022 /nfs/dbraw/zinc/20/50/22/1394205022.db2.gz ALRHHQPCKHMCOY-MVSSULDISA-N 2 0 343.515 3.130 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001481406033 1394260162 /nfs/dbraw/zinc/26/01/62/1394260162.db2.gz OEYQHNAUDOXILX-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001698946234 1406686071 /nfs/dbraw/zinc/68/60/71/1406686071.db2.gz OFDGSETUGLWRRO-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH+]1CCC(N(CCC)C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001490619187 1394285898 /nfs/dbraw/zinc/28/58/98/1394285898.db2.gz VXJQREDCWHVBTN-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772481 1394334201 /nfs/dbraw/zinc/33/42/01/1394334201.db2.gz NNIHKZSZSFCUNG-UYAOXDASSA-N 2 0 345.531 3.260 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490827149 1394355815 /nfs/dbraw/zinc/35/58/15/1394355815.db2.gz WSLIIIDJKIVMLJ-LJGXYGFNSA-N 2 0 347.547 3.330 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001490901704 1394370149 /nfs/dbraw/zinc/37/01/49/1394370149.db2.gz GMGOIFFXJOIRJG-GUDVDZBRSA-N 2 0 335.536 3.068 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481527835 1394381237 /nfs/dbraw/zinc/38/12/37/1394381237.db2.gz NBGZUJGUDJCCIU-NHQAVIFJSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481530022 1394385353 /nfs/dbraw/zinc/38/53/53/1394385353.db2.gz CNCKLBTXJAQBHO-ROUKRRSUSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481537511 1394396900 /nfs/dbraw/zinc/39/69/00/1394396900.db2.gz IRDDZJMVLOXZBS-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491048239 1394411161 /nfs/dbraw/zinc/41/11/61/1394411161.db2.gz RMXNNHWUKPQXBW-OLNOKYHNSA-N 2 0 347.547 3.377 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001491251988 1394492096 /nfs/dbraw/zinc/49/20/96/1394492096.db2.gz HAZFDIHCHGCUFD-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001491259255 1394494588 /nfs/dbraw/zinc/49/45/88/1394494588.db2.gz RILZBOWMQKRXLJ-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001491771160 1394533787 /nfs/dbraw/zinc/53/37/87/1394533787.db2.gz ZCOHCVJAJFBNTB-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CCCCC1 ZINC001481827689 1394548126 /nfs/dbraw/zinc/54/81/26/1394548126.db2.gz HLIGBQKZZWFKPD-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CC1CCCCC1 ZINC001481827688 1394548246 /nfs/dbraw/zinc/54/82/46/1394548246.db2.gz HLIGBQKZZWFKPD-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001481838777 1394553045 /nfs/dbraw/zinc/55/30/45/1394553045.db2.gz HAFGGMWDRCPSDY-SFHVURJKSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481883212 1394577204 /nfs/dbraw/zinc/57/72/04/1394577204.db2.gz WYSGFEXMUYREAX-VQTJNVASSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001481981196 1394642536 /nfs/dbraw/zinc/64/25/36/1394642536.db2.gz LMVSAWXYZQLOBW-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001482035504 1394696525 /nfs/dbraw/zinc/69/65/25/1394696525.db2.gz CJRJFIXIUAXPAB-MOPGFXCFSA-N 2 0 349.494 3.015 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001482173452 1394786591 /nfs/dbraw/zinc/78/65/91/1394786591.db2.gz LTGDQKNJCKXPAT-HNNXBMFYSA-N 2 0 347.528 3.083 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)C[N@H+](C)C3CCC3)CCCC2)CC1 ZINC001482221735 1394815693 /nfs/dbraw/zinc/81/56/93/1394815693.db2.gz PYPIMMOFMLPALI-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001482317077 1394888682 /nfs/dbraw/zinc/88/86/82/1394888682.db2.gz NWBJFWKQLUQLLR-KRWDZBQOSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482331833 1394901142 /nfs/dbraw/zinc/90/11/42/1394901142.db2.gz VDOMASHVWSNDJO-MRXNPFEDSA-N 2 0 327.557 3.227 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001482405876 1394969018 /nfs/dbraw/zinc/96/90/18/1394969018.db2.gz JZZWPZRHLDXHKR-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001482406530 1394969723 /nfs/dbraw/zinc/96/97/23/1394969723.db2.gz QZBNUDPQJDTTII-LJQANCHMSA-N 2 0 349.563 3.460 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001482455962 1395014244 /nfs/dbraw/zinc/01/42/44/1395014244.db2.gz ODWCFCWTXRMUJN-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001482469153 1395024588 /nfs/dbraw/zinc/02/45/88/1395024588.db2.gz CQRKMTSOZZXBSN-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001483932576 1395150148 /nfs/dbraw/zinc/15/01/48/1395150148.db2.gz KHDSUAPWTXIJQQ-ZBFHGGJFSA-N 2 0 337.533 3.050 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCC1 ZINC001484006845 1395181463 /nfs/dbraw/zinc/18/14/63/1395181463.db2.gz NSDILNPYHVNRAR-OJBOGMDESA-N 2 0 335.536 3.092 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C2CCCC2)CC1 ZINC001484011222 1395184750 /nfs/dbraw/zinc/18/47/50/1395184750.db2.gz BSGQLBUUPUDFOJ-AFMYVXGZSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001484022622 1395194837 /nfs/dbraw/zinc/19/48/37/1395194837.db2.gz XEJJZYZYEJCHDJ-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001484098730 1395249877 /nfs/dbraw/zinc/24/98/77/1395249877.db2.gz ZBLAZZWUKUETNZ-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@](C)(C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001484111730 1395257015 /nfs/dbraw/zinc/25/70/15/1395257015.db2.gz JBPIEZIHQIYGKP-OAQYLSRUSA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001484115321 1395259858 /nfs/dbraw/zinc/25/98/58/1395259858.db2.gz RXBQXCMZMMTZQY-BXKJMJEDSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115965 1395260173 /nfs/dbraw/zinc/26/01/73/1395260173.db2.gz YPUKMYBQVURRSH-FPOVZHCZSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCC1)[NH+](C)C ZINC001484389113 1395356484 /nfs/dbraw/zinc/35/64/84/1395356484.db2.gz WWEXVKSHYPNJIE-YRPNKDGESA-N 2 0 349.563 3.122 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@H](CC[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001484522993 1395415165 /nfs/dbraw/zinc/41/51/65/1395415165.db2.gz OCVXVXHEQKYXGW-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001484654413 1395463728 /nfs/dbraw/zinc/46/37/28/1395463728.db2.gz JUZOAYTZLBHLNS-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001484728119 1395491702 /nfs/dbraw/zinc/49/17/02/1395491702.db2.gz JWUUFXLQBHYMDS-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001484977352 1395616771 /nfs/dbraw/zinc/61/67/71/1395616771.db2.gz IOERCOXXMFBLEC-MSOLQXFVSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H]2CC[NH+](CC)C2)C1 ZINC001485082132 1395652198 /nfs/dbraw/zinc/65/21/98/1395652198.db2.gz MJFIUXIKVKSMCJ-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CC[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001485435529 1395903182 /nfs/dbraw/zinc/90/31/82/1395903182.db2.gz TTXGSPUNKZKNQY-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)CCn2ccnc2)CCCCC1 ZINC001485454179 1395923136 /nfs/dbraw/zinc/92/31/36/1395923136.db2.gz PFHQBFRUKYQNPS-UHFFFAOYSA-N 2 0 334.508 3.118 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2ccccc2F)CCCCC1 ZINC001485458714 1395931605 /nfs/dbraw/zinc/93/16/05/1395931605.db2.gz FGBGRAQHUUPQGR-UHFFFAOYSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC=C(C)C)[NH+](CC)CC ZINC001485482104 1395966508 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CC[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691226641 1405166237 /nfs/dbraw/zinc/16/62/37/1405166237.db2.gz ZPKXPYSIMLMNMQ-OKZBNKHCSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691226257 1405166317 /nfs/dbraw/zinc/16/63/17/1405166317.db2.gz OFCADCZRUMBOFA-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001691402300 1405239004 /nfs/dbraw/zinc/23/90/04/1405239004.db2.gz JINFZPAQXXDGKZ-PMACEKPBSA-N 2 0 345.531 3.148 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001691470501 1405288886 /nfs/dbraw/zinc/28/88/86/1405288886.db2.gz KHSQDZOLZRDGJN-FCGDIQPGSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691506638 1405309869 /nfs/dbraw/zinc/30/98/69/1405309869.db2.gz VEEARIBTQKLRPY-IYARVYRRSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2cccc(F)c2)[C@@H]1CC ZINC001691510803 1405311928 /nfs/dbraw/zinc/31/19/28/1405311928.db2.gz XGMRHZQSOQNKMH-RBUKOAKNSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001691679399 1405414060 /nfs/dbraw/zinc/41/40/60/1405414060.db2.gz URUYCJFCGIZCAL-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691693103 1405427760 /nfs/dbraw/zinc/42/77/60/1405427760.db2.gz ZCUJWLLYXNSERU-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)CC)[C@H]2C)cc1 ZINC001691740659 1405462620 /nfs/dbraw/zinc/46/26/20/1405462620.db2.gz AQSUKZDLKWZBHQ-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC2CCCCCC2)[C@@H]1C ZINC001691740869 1405463332 /nfs/dbraw/zinc/46/33/32/1405463332.db2.gz GDOIHPYQEUQDJN-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)CC(C)(C)C1 ZINC001691823423 1405539477 /nfs/dbraw/zinc/53/94/77/1405539477.db2.gz ORMHKJZKUPUDPR-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CC(C)(C)C3)C2)CC1 ZINC001691932722 1405660994 /nfs/dbraw/zinc/66/09/94/1405660994.db2.gz NGTUMGKWLNJMHY-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001691951570 1405670842 /nfs/dbraw/zinc/67/08/42/1405670842.db2.gz OONZZMGNZZARGM-SXLOBPIMSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)CCC[N@H+](C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001692014106 1405733749 /nfs/dbraw/zinc/73/37/49/1405733749.db2.gz QIYQWJNTMQRCGX-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001692121265 1405783314 /nfs/dbraw/zinc/78/33/14/1405783314.db2.gz QXTVKWQGXUXYSV-PXEQJPNCSA-N 2 0 337.552 3.290 10 0 EGAERP CCc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001692127706 1405786607 /nfs/dbraw/zinc/78/66/07/1405786607.db2.gz BFKGERGKICIBJH-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001692132225 1405789413 /nfs/dbraw/zinc/78/94/13/1405789413.db2.gz RVTXYMXAQOJRAZ-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001692162416 1405814059 /nfs/dbraw/zinc/81/40/59/1405814059.db2.gz WOBIFMBBVOPCLK-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccccc2CC)[C@@H]1C ZINC001692224094 1405855299 /nfs/dbraw/zinc/85/52/99/1405855299.db2.gz LCSVZOZJYNBZKF-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001692280149 1405914900 /nfs/dbraw/zinc/91/49/00/1405914900.db2.gz PWPNZKQLTSGIML-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H](c1ccc(C(C)(C)C)cc1)[NH+]1CC(CNC(=O)CC[NH+](C)C)C1 ZINC001692330920 1405949530 /nfs/dbraw/zinc/94/95/30/1405949530.db2.gz CAMRGISDQSZICX-MRXNPFEDSA-N 2 0 345.531 3.045 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CCCC1 ZINC001732012120 1428226385 /nfs/dbraw/zinc/22/63/85/1428226385.db2.gz DDMOPXBPRULCCB-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698577515 1406187789 /nfs/dbraw/zinc/18/77/89/1406187789.db2.gz PRPMBKHGNTXNOU-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598802 1406223767 /nfs/dbraw/zinc/22/37/67/1406223767.db2.gz ZVQXRSCMTNADSF-WOJBJXKFSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698601974 1406227839 /nfs/dbraw/zinc/22/78/39/1406227839.db2.gz XZTMABDXTPHVRT-HKUYNNGSSA-N 2 0 349.563 3.314 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001732038149 1428261781 /nfs/dbraw/zinc/26/17/81/1428261781.db2.gz DNMGQCRIASUFRR-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001733600388 1429804367 /nfs/dbraw/zinc/80/43/67/1429804367.db2.gz NIEAYCMPGLEVDL-PWBPZBFBSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C(=O)N1CCC(C[N@H+](C)CC=C(C)C)CC1)[NH+](CC)CC ZINC001732087033 1428348552 /nfs/dbraw/zinc/34/85/52/1428348552.db2.gz IHLQEBZFQJHJHL-IBGZPJMESA-N 2 0 337.552 3.243 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NCC1C[NH+](CCC(C)(C)C)C1)c1ccccc1 ZINC001732137645 1428383330 /nfs/dbraw/zinc/38/33/30/1428383330.db2.gz KCDQIFKJPMYCJG-LJQANCHMSA-N 2 0 345.531 3.164 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)c1 ZINC001732154553 1428397702 /nfs/dbraw/zinc/39/77/02/1428397702.db2.gz HTNWSXAYWQHODO-NLWGTHIKSA-N 2 0 345.531 3.141 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001732174751 1428419581 /nfs/dbraw/zinc/41/95/81/1428419581.db2.gz WIELYUUMYCZPIR-DLBZAZTESA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001732174889 1428420876 /nfs/dbraw/zinc/42/08/76/1428420876.db2.gz DGWSUOZICDYQAZ-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@]2(NC(=O)CC[NH+](C)C)CCCC[C@H]2C)cc1 ZINC001732260819 1428500946 /nfs/dbraw/zinc/50/09/46/1428500946.db2.gz XNONONWYSTXSCA-NQIIRXRSSA-N 2 0 345.531 3.101 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001732271112 1428507238 /nfs/dbraw/zinc/50/72/38/1428507238.db2.gz DWQQAWFAAVQNKV-WFRZBGSESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001732325480 1428534064 /nfs/dbraw/zinc/53/40/64/1428534064.db2.gz TUXFFJQHPZFRRT-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001732358488 1428547201 /nfs/dbraw/zinc/54/72/01/1428547201.db2.gz QFOKEXTZXVMOFG-SJLPKXTDSA-N 2 0 345.531 3.048 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCCC2)CCCC1)C12CC[NH+](CC1)C2 ZINC001732399925 1428566084 /nfs/dbraw/zinc/56/60/84/1428566084.db2.gz QXLVPRJEZNLJBN-UHFFFAOYSA-N 2 0 347.547 3.071 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc(CC)c1 ZINC001732424044 1428575400 /nfs/dbraw/zinc/57/54/00/1428575400.db2.gz XGQREZNLUSKYRO-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732528467 1428648457 /nfs/dbraw/zinc/64/84/57/1428648457.db2.gz JXAGAJFEQOSCOE-AZUAARDMSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732532377 1428653361 /nfs/dbraw/zinc/65/33/61/1428653361.db2.gz OUHZRFHLQVANDP-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CC[NH2+]CC1CC(C)C1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699121699 1412520466 /nfs/dbraw/zinc/52/04/66/1412520466.db2.gz AIIMGQQYBJYRFR-ADKAHSJRSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001699307424 1412629832 /nfs/dbraw/zinc/62/98/32/1412629832.db2.gz GEHTUTCDHJGAPR-PALPZSCYSA-N 2 0 337.895 3.003 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001699375828 1412682338 /nfs/dbraw/zinc/68/23/38/1412682338.db2.gz NKEKWNACFFRGBA-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)C[N@H+](C)CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001699449246 1412786369 /nfs/dbraw/zinc/78/63/69/1412786369.db2.gz FEOCMVDSOPCOKQ-HNNXBMFYSA-N 2 0 340.471 3.193 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001699451854 1412792214 /nfs/dbraw/zinc/79/22/14/1412792214.db2.gz AOVTWUPCLMMQMW-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CC[NH+](C)C)cc1 ZINC001699459641 1412811205 /nfs/dbraw/zinc/81/12/05/1412811205.db2.gz MCMQYIRWLMNDQD-IAGOWNOFSA-N 2 0 333.520 3.259 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483310 1412878127 /nfs/dbraw/zinc/87/81/27/1412878127.db2.gz NISRWYJOXDPVMS-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001699624548 1412990048 /nfs/dbraw/zinc/99/00/48/1412990048.db2.gz UVXHYPDULKTVOT-UHDDOPSISA-N 2 0 347.547 3.330 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001699677378 1413072067 /nfs/dbraw/zinc/07/20/67/1413072067.db2.gz RIZCEDIYSJPEDR-MISYRCLQSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001699694692 1413102958 /nfs/dbraw/zinc/10/29/58/1413102958.db2.gz HAJALWCCJVCOSZ-HXUWFJFHSA-N 2 0 347.547 3.120 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3C)C2)C1 ZINC001699695769 1413105203 /nfs/dbraw/zinc/10/52/03/1413105203.db2.gz UCXNROMXJSHAFX-TZIWHRDSSA-N 2 0 349.563 3.366 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001699751557 1413159413 /nfs/dbraw/zinc/15/94/13/1413159413.db2.gz YTXGDYVQOPQNCW-FNYRVFDFSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001699824389 1413249378 /nfs/dbraw/zinc/24/93/78/1413249378.db2.gz DMWDSLBZDOOXGL-OAQYLSRUSA-N 2 0 345.531 3.232 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001699861436 1413295656 /nfs/dbraw/zinc/29/56/56/1413295656.db2.gz IJRWBZLLAUTTEK-GIFJBRJJSA-N 2 0 337.552 3.147 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001699867639 1413308131 /nfs/dbraw/zinc/30/81/31/1413308131.db2.gz CDBXVPDBFJDLTN-FPOVZHCZSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001699867898 1413310001 /nfs/dbraw/zinc/31/00/01/1413310001.db2.gz GMYHHQZUPPKVCB-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CCC1CCCCC1 ZINC001732546919 1428723439 /nfs/dbraw/zinc/72/34/39/1428723439.db2.gz XFEQMRBDVWLXPP-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC(C)(C)C)C2 ZINC001699929253 1413370656 /nfs/dbraw/zinc/37/06/56/1413370656.db2.gz MDXJTNSTJZQZHC-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]C(C)C ZINC001699934751 1413377672 /nfs/dbraw/zinc/37/76/72/1413377672.db2.gz PGSCETYVODJHNE-XUVXKRRUSA-N 2 0 345.531 3.135 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001699978712 1413423220 /nfs/dbraw/zinc/42/32/20/1413423220.db2.gz HXTFBJWHEHPYGX-MUGJNUQGSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001732546917 1428723957 /nfs/dbraw/zinc/72/39/57/1428723957.db2.gz XFEQMRBDVWLXPP-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@@H]3[C@@H]2CCCN3C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001700012248 1413455633 /nfs/dbraw/zinc/45/56/33/1413455633.db2.gz LYWLWXASOBJQIC-WZOJCFFYSA-N 2 0 349.563 3.076 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001700094189 1413508705 /nfs/dbraw/zinc/50/87/05/1413508705.db2.gz GZDXVZVAHHMSLP-IAGOWNOFSA-N 2 0 345.531 3.341 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700097842 1413514410 /nfs/dbraw/zinc/51/44/10/1413514410.db2.gz NNRZWZZKRVFEKP-BHIYHBOVSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001700101781 1413519587 /nfs/dbraw/zinc/51/95/87/1413519587.db2.gz QYEUFSRYAAAJPZ-GUDVDZBRSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700181159 1413594402 /nfs/dbraw/zinc/59/44/02/1413594402.db2.gz PUHPCYAYZCXGDK-DVBCCOPCSA-N 2 0 337.552 3.291 10 0 EGAERP CCC1([NH2+]CC2CCCCCC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001700225052 1413675740 /nfs/dbraw/zinc/67/57/40/1413675740.db2.gz SZZZAUJGSAHSHA-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CCC1([NH2+]C[C@@H](C)CC(C)C)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001700224945 1413675953 /nfs/dbraw/zinc/67/59/53/1413675953.db2.gz ORBXLKYMGQFIIA-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001700231075 1413688613 /nfs/dbraw/zinc/68/86/13/1413688613.db2.gz YCCWLTKBXYTCTN-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001700354822 1413854127 /nfs/dbraw/zinc/85/41/27/1413854127.db2.gz WIUOZGOTOUHJOC-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCCC1CCCC1 ZINC001700405626 1413943113 /nfs/dbraw/zinc/94/31/13/1413943113.db2.gz REJWMLDLSVISDD-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)[C@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700406662 1413943872 /nfs/dbraw/zinc/94/38/72/1413943872.db2.gz YCDMTBOSSOFLDF-KGLIPLIRSA-N 2 0 330.476 3.175 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700421672 1413972275 /nfs/dbraw/zinc/97/22/75/1413972275.db2.gz KBBWQHKCTKACGZ-IAGOWNOFSA-N 2 0 325.541 3.026 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCC1)[C@H](C)NC(=O)CCC[NH+]1CCCCC1 ZINC001700428702 1413988268 /nfs/dbraw/zinc/98/82/68/1413988268.db2.gz AFILZTCHKVPVIZ-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001700465398 1414071741 /nfs/dbraw/zinc/07/17/41/1414071741.db2.gz DJEPNRALWBVETD-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001700475709 1414101879 /nfs/dbraw/zinc/10/18/79/1414101879.db2.gz FWAZRLKHSXDUGO-ICSRJNTNSA-N 2 0 345.531 3.194 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001700501472 1414149369 /nfs/dbraw/zinc/14/93/69/1414149369.db2.gz CTLVPDRXMITEJQ-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C)CCCCC1 ZINC001700510675 1414159450 /nfs/dbraw/zinc/15/94/50/1414159450.db2.gz HMQFQNRBYBBCMH-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700550922 1414221109 /nfs/dbraw/zinc/22/11/09/1414221109.db2.gz PZNVIFHBZQTOTO-LXXRFIIISA-N 2 0 343.515 3.155 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CC3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC001700623222 1414294374 /nfs/dbraw/zinc/29/43/74/1414294374.db2.gz HKYQZRXOIRDLQY-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@@H](CC)[NH+](CC)CC)C[C@@]2(C)C1 ZINC001700624601 1414296172 /nfs/dbraw/zinc/29/61/72/1414296172.db2.gz WTAGFBYSDDOUKI-RLLQIKCJSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700630752 1414300119 /nfs/dbraw/zinc/30/01/19/1414300119.db2.gz BQHNFRLBHPUKEF-WNOVQSLWSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001700644690 1414309734 /nfs/dbraw/zinc/30/97/34/1414309734.db2.gz ZUPWGMBEABQHSI-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001700696681 1414354194 /nfs/dbraw/zinc/35/41/94/1414354194.db2.gz OTHATQQJKLCVND-KRWDZBQOSA-N 2 0 345.531 3.331 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001700769001 1414445968 /nfs/dbraw/zinc/44/59/68/1414445968.db2.gz UORPWRMRIXVSTM-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCCCCC2)C1 ZINC001700913430 1414566504 /nfs/dbraw/zinc/56/65/04/1414566504.db2.gz UAVCOZIAKXNMAI-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1(C)C ZINC001700920092 1414572126 /nfs/dbraw/zinc/57/21/26/1414572126.db2.gz RWTSWKRFUIGTEP-GOSISDBHSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001700986141 1414627939 /nfs/dbraw/zinc/62/79/39/1414627939.db2.gz ADGCVPMJCYLCJV-SJORKVTESA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700987076 1414629416 /nfs/dbraw/zinc/62/94/16/1414629416.db2.gz FZTQZFNNKVFWSG-QZTJIDSGSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC2=CC[NH+](CCCC3CCCC3)CC2)C1 ZINC001701058040 1414713837 /nfs/dbraw/zinc/71/38/37/1414713837.db2.gz OMONAANABUSDHJ-SFHVURJKSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001701058936 1414715023 /nfs/dbraw/zinc/71/50/23/1414715023.db2.gz NHRHTAVZQTZEON-XSXCZSQGSA-N 2 0 347.547 3.211 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001701061293 1414717853 /nfs/dbraw/zinc/71/78/53/1414717853.db2.gz HQRWFUUMHWIQHK-MOPGFXCFSA-N 2 0 349.563 3.293 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001732689213 1428910681 /nfs/dbraw/zinc/91/06/81/1428910681.db2.gz DPIXCRPADUKYMD-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001732695530 1428913879 /nfs/dbraw/zinc/91/38/79/1428913879.db2.gz SRENIBDJXCNCIB-NZSAHSFTSA-N 2 0 337.552 3.172 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001732806611 1428984970 /nfs/dbraw/zinc/98/49/70/1428984970.db2.gz HJZXQCGPQWZFNV-CQSZACIVSA-N 2 0 346.450 3.026 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1Cl ZINC001732863238 1429016226 /nfs/dbraw/zinc/01/62/26/1429016226.db2.gz QKSBTXMTGMCJGY-LLYBFZRZSA-N 2 0 349.906 3.147 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001732941930 1429066817 /nfs/dbraw/zinc/06/68/17/1429066817.db2.gz HYQISBWNJPONJP-KDCRJJDASA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001733028472 1429148030 /nfs/dbraw/zinc/14/80/30/1429148030.db2.gz ZRNHSUOPQADMMK-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001707078023 1417188472 /nfs/dbraw/zinc/18/84/72/1417188472.db2.gz RNMONUMERXOAPH-AKHDSKFASA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCCC3)[C@@H]2C1(C)C ZINC001707184697 1417234357 /nfs/dbraw/zinc/23/43/57/1417234357.db2.gz IJKRIVQNFFWKBU-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001707240862 1417260797 /nfs/dbraw/zinc/26/07/97/1417260797.db2.gz LSQNWFKTYDFAPY-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CC=C(C)C)C1 ZINC001707242835 1417262409 /nfs/dbraw/zinc/26/24/09/1417262409.db2.gz XAVUCJRGPIRNEX-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001707247409 1417264821 /nfs/dbraw/zinc/26/48/21/1417264821.db2.gz PTPOCLDEUKXOHD-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001707444046 1417347951 /nfs/dbraw/zinc/34/79/51/1417347951.db2.gz KRXVCWALZZGPMT-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001707481928 1417378618 /nfs/dbraw/zinc/37/86/18/1417378618.db2.gz XINVIONFNNDDQP-LJQANCHMSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001713002429 1417556435 /nfs/dbraw/zinc/55/64/35/1417556435.db2.gz LACMZJIQVPVTAW-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001713038582 1417590296 /nfs/dbraw/zinc/59/02/96/1417590296.db2.gz JJDAXDKMKZYHLK-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(N(C)C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713055793 1417608354 /nfs/dbraw/zinc/60/83/54/1417608354.db2.gz DIICJZJTOUOEMK-SREVYHEPSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001713057145 1417611323 /nfs/dbraw/zinc/61/13/23/1417611323.db2.gz YUFKJIWMKIRAFS-XXCOWLKOSA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)(C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCCC1 ZINC001713110166 1417671608 /nfs/dbraw/zinc/67/16/08/1417671608.db2.gz ZRHHMDXLXSLPEZ-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121514 1417687783 /nfs/dbraw/zinc/68/77/83/1417687783.db2.gz LASYHACWBZJZEY-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H](C[NH+](C)C(C)C)C1)c1ccccc1 ZINC001713136003 1417716722 /nfs/dbraw/zinc/71/67/22/1417716722.db2.gz VSISLZJVFUKLRF-UYAOXDASSA-N 2 0 345.531 3.258 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](C(C)C)CC[C@@H]21 ZINC001713182508 1417757010 /nfs/dbraw/zinc/75/70/10/1417757010.db2.gz OGGMSIPEKKBRDR-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224595 1417812882 /nfs/dbraw/zinc/81/28/82/1417812882.db2.gz YELHFYMUNAIHRL-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224596 1417812980 /nfs/dbraw/zinc/81/29/80/1417812980.db2.gz YELHFYMUNAIHRL-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001713239897 1417825392 /nfs/dbraw/zinc/82/53/92/1417825392.db2.gz ZWDHQPSCTBTNEI-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001713257721 1417860473 /nfs/dbraw/zinc/86/04/73/1417860473.db2.gz ISHLQYPPTQALQO-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001713332666 1417956079 /nfs/dbraw/zinc/95/60/79/1417956079.db2.gz RCOZXGORVVCJHI-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713344568 1417965834 /nfs/dbraw/zinc/96/58/34/1417965834.db2.gz SIBICBIKAYLEKH-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001713438626 1418071450 /nfs/dbraw/zinc/07/14/50/1418071450.db2.gz GQLXWOCLURKQEZ-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH+](C)CCNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001713477744 1418159818 /nfs/dbraw/zinc/15/98/18/1418159818.db2.gz BLROLLRDOGMTEQ-QGZVFWFLSA-N 2 0 333.520 3.259 10 0 EGAERP CC[N@H+](CCNC(=O)c1ccc(C[NH+](C)C)cc1)Cc1ccsc1 ZINC001713494264 1418198021 /nfs/dbraw/zinc/19/80/21/1418198021.db2.gz OIEBUHNALOKQRP-UHFFFAOYSA-N 2 0 345.512 3.062 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001733100925 1429242808 /nfs/dbraw/zinc/24/28/08/1429242808.db2.gz MIEPGTCNZHGRBM-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713531304 1418279148 /nfs/dbraw/zinc/27/91/48/1418279148.db2.gz XKXQVUFJSSYRHJ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713558456 1418353384 /nfs/dbraw/zinc/35/33/84/1418353384.db2.gz KKSXEHZXRVQDNQ-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CN(CCC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733131419 1429255800 /nfs/dbraw/zinc/25/58/00/1429255800.db2.gz SRJCSUNJGKQCIG-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713674096 1418426304 /nfs/dbraw/zinc/42/63/04/1418426304.db2.gz QJJUKBNMXBEWKW-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001713720384 1418492412 /nfs/dbraw/zinc/49/24/12/1418492412.db2.gz VEROSFRVWQRTHP-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)c(C)c1 ZINC001733146795 1429262582 /nfs/dbraw/zinc/26/25/82/1429262582.db2.gz PDCFXRIZHWSEST-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@@H](C[N@H+](C)CCC2CCCCCC2)C1 ZINC001713756250 1418560130 /nfs/dbraw/zinc/56/01/30/1418560130.db2.gz RDHAHZOOIPXIHN-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H](C(=O)NCCC[N@H+](CC1CCC1)C1CC1)[NH+]1CCCCCC1 ZINC001713773263 1418588265 /nfs/dbraw/zinc/58/82/65/1418588265.db2.gz PJZKYCNDZOXCBV-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[NH+](CCC2CC2)C1 ZINC001713790265 1418607851 /nfs/dbraw/zinc/60/78/51/1418607851.db2.gz VOKIGOOPSPZWDV-KRWDZBQOSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713896846 1418695116 /nfs/dbraw/zinc/69/51/16/1418695116.db2.gz LBSJXIBGRNBMCF-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713938266 1418727313 /nfs/dbraw/zinc/72/73/13/1418727313.db2.gz SWQCASNSJPLUST-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CC3CCCC3)CC[C@H]21 ZINC001713977653 1418758393 /nfs/dbraw/zinc/75/83/93/1418758393.db2.gz ILLVNFIEPNQFHI-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CC(C)(C)C3)CC[C@H]21 ZINC001713978384 1418760078 /nfs/dbraw/zinc/76/00/78/1418760078.db2.gz UTKHIYYQTJFDHA-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@H](C[NH2+]CCC2CC2)C1 ZINC001714064693 1418861285 /nfs/dbraw/zinc/86/12/85/1418861285.db2.gz MZBQFDJCKBYASK-MRXNPFEDSA-N 2 0 349.544 3.052 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001714080156 1418874002 /nfs/dbraw/zinc/87/40/02/1418874002.db2.gz LVUVKRXCMLVBJS-UYAOXDASSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001714080154 1418874279 /nfs/dbraw/zinc/87/42/79/1418874279.db2.gz LVUVKRXCMLVBJS-ICSRJNTNSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC1CCCC1 ZINC001714082435 1418876381 /nfs/dbraw/zinc/87/63/81/1418876381.db2.gz MXUPCDZVPRUQCH-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714085360 1418879271 /nfs/dbraw/zinc/87/92/71/1418879271.db2.gz UZFONGHZYAOKFW-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001714104744 1418903501 /nfs/dbraw/zinc/90/35/01/1418903501.db2.gz UJZPJLYKNBEWNH-MOPGFXCFSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccc(C)cc1 ZINC001714107553 1418907438 /nfs/dbraw/zinc/90/74/38/1418907438.db2.gz RSVQQCPSIMUUFG-AZUAARDMSA-N 2 0 345.531 3.244 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)CC1 ZINC001714140550 1418942811 /nfs/dbraw/zinc/94/28/11/1418942811.db2.gz NYTUNFIUTMDPHO-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC1CCCC1 ZINC001714146577 1418951793 /nfs/dbraw/zinc/95/17/93/1418951793.db2.gz YLOGWIXSKJAIHF-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1c(C(=O)NC2CCC([NH2+]CC[C@H](C)F)CC2)ccc2c[nH+]cn21 ZINC001714190570 1418997261 /nfs/dbraw/zinc/99/72/61/1418997261.db2.gz BOQYVXIQBYVUSY-JEYLPNPQSA-N 2 0 346.450 3.021 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)C1 ZINC001714217054 1419014128 /nfs/dbraw/zinc/01/41/28/1419014128.db2.gz UFAMRQZEQGFLDT-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2CC2)C1)[NH+]1CCCCC1 ZINC001714239946 1419028924 /nfs/dbraw/zinc/02/89/24/1419028924.db2.gz YVEIZGNUQWGJJQ-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001714268367 1419049987 /nfs/dbraw/zinc/04/99/87/1419049987.db2.gz POTPJHVATBYLFM-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001714277315 1419057399 /nfs/dbraw/zinc/05/73/99/1419057399.db2.gz VHYLPPNCSBMLBG-HOHWPDKRSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1 ZINC001714291373 1419070403 /nfs/dbraw/zinc/07/04/03/1419070403.db2.gz SFXHFSHNAMXVSY-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)CC2)C1 ZINC001714317117 1419095573 /nfs/dbraw/zinc/09/55/73/1419095573.db2.gz PAXZUEHUFJRCTF-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC001714319617 1419098704 /nfs/dbraw/zinc/09/87/04/1419098704.db2.gz LUKYTESAHOEKET-MUFCHLESSA-N 2 0 349.906 3.019 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001714346780 1419116971 /nfs/dbraw/zinc/11/69/71/1419116971.db2.gz NVLBPCJYDFPEPM-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001714359442 1419121769 /nfs/dbraw/zinc/12/17/69/1419121769.db2.gz ZZXKWTGKVUJUEL-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001714407773 1419148408 /nfs/dbraw/zinc/14/84/08/1419148408.db2.gz NEUVTHIAHQLVPM-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001714416703 1419153724 /nfs/dbraw/zinc/15/37/24/1419153724.db2.gz CHWFYLUDRIYSGH-VQTJNVASSA-N 2 0 349.563 3.460 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001714484292 1419207817 /nfs/dbraw/zinc/20/78/17/1419207817.db2.gz FGDDKQOUQIMKKN-KRWDZBQOSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccc(C[N@H+](C)CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)cc1 ZINC001714553784 1419281528 /nfs/dbraw/zinc/28/15/28/1419281528.db2.gz BZRCFJWEDDTGFE-UHFFFAOYSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CC(C)(C)C1 ZINC001714554884 1419282632 /nfs/dbraw/zinc/28/26/32/1419282632.db2.gz CWOJIIPBYOGOQC-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714637027 1419408222 /nfs/dbraw/zinc/40/82/22/1419408222.db2.gz KOZJIIDILNCTGG-VGOKWCNXSA-N 2 0 340.471 3.051 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001714637943 1419409635 /nfs/dbraw/zinc/40/96/35/1419409635.db2.gz ZQRNXQAGZUEEMT-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](CC1CCCC1)C1CC1 ZINC001714673710 1419465196 /nfs/dbraw/zinc/46/51/96/1419465196.db2.gz NZJDCMKBHXYWRE-LJQANCHMSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714728917 1419485609 /nfs/dbraw/zinc/48/56/09/1419485609.db2.gz DTTBWNZASWEKSX-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001714754414 1419495301 /nfs/dbraw/zinc/49/53/01/1419495301.db2.gz ZBFRTJYLARZGLW-MRXNPFEDSA-N 2 0 333.520 3.045 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1)[NH+](C)C ZINC001714849278 1419561081 /nfs/dbraw/zinc/56/10/81/1419561081.db2.gz VKUJCUULIDPJDR-QZTJIDSGSA-N 2 0 333.520 3.210 10 0 EGAERP CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714861172 1419583230 /nfs/dbraw/zinc/58/32/30/1419583230.db2.gz JABDPDYWFYATAT-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCC1 ZINC001714991418 1419724004 /nfs/dbraw/zinc/72/40/04/1419724004.db2.gz FWLCXSOPVLNKIR-PMACEKPBSA-N 2 0 347.547 3.118 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001715031418 1419763741 /nfs/dbraw/zinc/76/37/41/1419763741.db2.gz UEBUUFPYURNFSW-LJQANCHMSA-N 2 0 337.552 3.364 10 0 EGAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001715042707 1419782173 /nfs/dbraw/zinc/78/21/73/1419782173.db2.gz FRCMTTDVOCQCNR-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CCN(C(=O)CC1CC[NH+](C)CC1)[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001715049557 1419790930 /nfs/dbraw/zinc/79/09/30/1419790930.db2.gz YRDSFWKREDQHEL-LJQANCHMSA-N 2 0 349.563 3.077 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCC2CCCCC2)CCCC1 ZINC001715104224 1419845741 /nfs/dbraw/zinc/84/57/41/1419845741.db2.gz OMHZMHVHPQLMGW-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001715177978 1419913422 /nfs/dbraw/zinc/91/34/22/1419913422.db2.gz KRQOMVZJXFDSOG-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001715188136 1419920636 /nfs/dbraw/zinc/92/06/36/1419920636.db2.gz DOVHLCNQKFTKJW-GUDVDZBRSA-N 2 0 337.552 3.458 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715192144 1419924067 /nfs/dbraw/zinc/92/40/67/1419924067.db2.gz RDTVLDNLQONQEX-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001715251612 1419976539 /nfs/dbraw/zinc/97/65/39/1419976539.db2.gz RMWSKZMUHCGSQO-IRXDYDNUSA-N 2 0 341.499 3.194 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001715306741 1420015551 /nfs/dbraw/zinc/01/55/51/1420015551.db2.gz FMNBJELASBQEJH-GOSISDBHSA-N 2 0 337.552 3.458 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H](C)Cc1c[nH]cn1)C1CCCCC1 ZINC001715400688 1420099345 /nfs/dbraw/zinc/09/93/45/1420099345.db2.gz CNDVFBPCWJVWFA-LPHOPBHVSA-N 2 0 346.519 3.209 10 0 EGAERP CCCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001715480294 1420159310 /nfs/dbraw/zinc/15/93/10/1420159310.db2.gz AUFFDFFEQNTBRU-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1c(C(=O)NC[C@H]([NH2+]CC2CCCC2)C(C)C)ccc2c[nH+]cn21 ZINC001715491375 1420172454 /nfs/dbraw/zinc/17/24/54/1420172454.db2.gz DVNKRUZHZUHDEZ-IBGZPJMESA-N 2 0 342.487 3.177 10 0 EGAERP C[N@H+](CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1)CCC(C)(C)C ZINC001715499112 1420181040 /nfs/dbraw/zinc/18/10/40/1420181040.db2.gz RIBAKJURHVZCCV-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001715505467 1420188492 /nfs/dbraw/zinc/18/84/92/1420188492.db2.gz SZQNZILADJRNTD-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001715547764 1420244650 /nfs/dbraw/zinc/24/46/50/1420244650.db2.gz AGAWMMXQYCHXFT-ZWKOTPCHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)[C@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCC(C)CC1 ZINC001715592849 1420262559 /nfs/dbraw/zinc/26/25/59/1420262559.db2.gz MHDLIWDZBBQXLR-ACBHZAAOSA-N 2 0 349.563 3.172 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715738089 1420319212 /nfs/dbraw/zinc/31/92/12/1420319212.db2.gz PUKLEHPTSYGVIW-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715750705 1420324369 /nfs/dbraw/zinc/32/43/69/1420324369.db2.gz ZGDGYMGXQFYLQO-SFHVURJKSA-N 2 0 345.531 3.369 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715930312 1420402680 /nfs/dbraw/zinc/40/26/80/1420402680.db2.gz TYQFDZDYGDAMHV-KKSLTYSGSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccc(C2CC2)cc1 ZINC001715978637 1420438655 /nfs/dbraw/zinc/43/86/55/1420438655.db2.gz KZJTTWAQCWSJBW-JXFKEZNVSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715984159 1420443030 /nfs/dbraw/zinc/44/30/30/1420443030.db2.gz BFINWJJPSUBNEK-DLBZAZTESA-N 2 0 331.504 3.025 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)cc1C ZINC001716023233 1420478413 /nfs/dbraw/zinc/47/84/13/1420478413.db2.gz IVJVOYKIMMCKJP-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001716025856 1420482843 /nfs/dbraw/zinc/48/28/43/1420482843.db2.gz PQYRAXSNJSGZFM-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](C[N@H+](C)CC/C=C/c1ccccc1)NC(=O)[C@H]1CCCC[NH+]1C ZINC001716031172 1420489807 /nfs/dbraw/zinc/48/98/07/1420489807.db2.gz ZWUDCERHXMEKMA-YWZKXWNWSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001716069147 1420526318 /nfs/dbraw/zinc/52/63/18/1420526318.db2.gz JFGMMOCZOSUADF-WOJBJXKFSA-N 2 0 345.531 3.136 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCC2CC2)c1 ZINC001716076115 1420530323 /nfs/dbraw/zinc/53/03/23/1420530323.db2.gz WGACRUICWIMSQT-WOJBJXKFSA-N 2 0 343.515 3.036 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001716255354 1420584705 /nfs/dbraw/zinc/58/47/05/1420584705.db2.gz PMVYISGDHUZGRP-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001716444103 1420662650 /nfs/dbraw/zinc/66/26/50/1420662650.db2.gz XBBLTOGFAHHDCC-AWEZNQCLSA-N 2 0 330.476 3.177 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001716481574 1420698464 /nfs/dbraw/zinc/69/84/64/1420698464.db2.gz SXRXECWLCZNFGM-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001716508830 1420740630 /nfs/dbraw/zinc/74/06/30/1420740630.db2.gz QSHGDWVNRVFXDJ-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001716508735 1420740655 /nfs/dbraw/zinc/74/06/55/1420740655.db2.gz OWAOTWHUYUCAIP-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1 ZINC001716509128 1420741476 /nfs/dbraw/zinc/74/14/76/1420741476.db2.gz WROFWPWFNDMVKT-QGZVFWFLSA-N 2 0 341.499 3.117 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658188 1420812048 /nfs/dbraw/zinc/81/20/48/1420812048.db2.gz BHXZRYPPUHIDIC-QZTJIDSGSA-N 2 0 343.515 3.121 10 0 EGAERP C[NH+](C)CCC(=O)NCC1([NH2+]CC2CCC(C(C)(C)C)CC2)CC1 ZINC001716692473 1420845270 /nfs/dbraw/zinc/84/52/70/1420845270.db2.gz VLEXTTIAZMGHNC-UHFFFAOYSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001716704052 1420858448 /nfs/dbraw/zinc/85/84/48/1420858448.db2.gz LHNFVXCCCHJREA-ROUKRRSUSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)C[N@H+](CC1CC1)C1CCN(C(=O)CC[C@H]2CCC[NH+]2C)CC1 ZINC001716715481 1420871844 /nfs/dbraw/zinc/87/18/44/1420871844.db2.gz DTKFDIOPHYOIJQ-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001716798475 1420931203 /nfs/dbraw/zinc/93/12/03/1420931203.db2.gz VYKOWDFUTAHJKJ-SREVYHEPSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CCC(C)(NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001716799347 1420932154 /nfs/dbraw/zinc/93/21/54/1420932154.db2.gz UBGUKWYKDJWOLE-UHFFFAOYSA-N 2 0 345.531 3.114 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1 ZINC001716828727 1420954871 /nfs/dbraw/zinc/95/48/71/1420954871.db2.gz BBYZZDSKADLHHL-UXHICEINSA-N 2 0 347.547 3.118 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001716889058 1421012818 /nfs/dbraw/zinc/01/28/18/1421012818.db2.gz VNBQRVWLTFWBIL-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716972668 1421057687 /nfs/dbraw/zinc/05/76/87/1421057687.db2.gz CUWRFEJUANQJGY-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001716987729 1421062387 /nfs/dbraw/zinc/06/23/87/1421062387.db2.gz OHUXIYRKYGEIAH-RBUKOAKNSA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001717159396 1421148917 /nfs/dbraw/zinc/14/89/17/1421148917.db2.gz GKQHHMKFNSLRSQ-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP CCC1([NH2+]CC2CCC(C)CC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001717235891 1421204339 /nfs/dbraw/zinc/20/43/39/1421204339.db2.gz CBNSAVGMGBSPPX-CTWPCTMYSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1Cc2ccc(CNC(=O)C(C)(C)[NH+](C)C3CCCC3)cc2C1 ZINC001717270463 1421226874 /nfs/dbraw/zinc/22/68/74/1421226874.db2.gz YLYCTGDGENIOLD-UHFFFAOYSA-N 2 0 343.515 3.291 10 0 EGAERP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001717299086 1421242013 /nfs/dbraw/zinc/24/20/13/1421242013.db2.gz HRWJWKJBVXYMEP-HNNXBMFYSA-N 2 0 342.487 3.273 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001717309466 1421251723 /nfs/dbraw/zinc/25/17/23/1421251723.db2.gz NGSLHXBRKWLPOX-FQQSSWHASA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310917 1421254702 /nfs/dbraw/zinc/25/47/02/1421254702.db2.gz QAMFPNFCWCGIMJ-OALUTQOASA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001717339229 1421277471 /nfs/dbraw/zinc/27/74/71/1421277471.db2.gz QTDHULATMCARFY-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CC=C(C)C ZINC001717361221 1421296157 /nfs/dbraw/zinc/29/61/57/1421296157.db2.gz ISLDJBUXJBYJMP-TZIWHRDSSA-N 2 0 343.515 3.056 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001717367711 1421304386 /nfs/dbraw/zinc/30/43/86/1421304386.db2.gz PIDGFQKCOGQSKW-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001717376513 1421319114 /nfs/dbraw/zinc/31/91/14/1421319114.db2.gz SOECEFMSDXSRAM-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001717424127 1421353778 /nfs/dbraw/zinc/35/37/78/1421353778.db2.gz BMZLSFWIZVLWDT-DLBZAZTESA-N 2 0 347.547 3.309 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CC(C)(C)C2)CC1 ZINC001717433015 1421360855 /nfs/dbraw/zinc/36/08/55/1421360855.db2.gz OFLBUIJJRHRKGP-CVEARBPZSA-N 2 0 337.552 3.026 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CC1CCC(C)CC1 ZINC001717476976 1421410935 /nfs/dbraw/zinc/41/09/35/1421410935.db2.gz VKDXWVXTLQOZHU-XBMUEBEBSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CC(C)(C)C1 ZINC001717490030 1421428368 /nfs/dbraw/zinc/42/83/68/1421428368.db2.gz DNAAXRUVZVJMOV-FUHWJXTLSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1=CCCCC1 ZINC001717516801 1421453933 /nfs/dbraw/zinc/45/39/33/1421453933.db2.gz QCYKGADDKFMYEJ-IBGZPJMESA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001717516895 1421454235 /nfs/dbraw/zinc/45/42/35/1421454235.db2.gz SCUBETRWMRYLFE-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717531496 1421468087 /nfs/dbraw/zinc/46/80/87/1421468087.db2.gz LYDVWFGEXVJFFU-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](NC(=O)CCCC[NH+]1CCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001717564302 1421499247 /nfs/dbraw/zinc/49/92/47/1421499247.db2.gz FGRQMQJLSQYYKF-SFHVURJKSA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C ZINC001717587703 1421516177 /nfs/dbraw/zinc/51/61/77/1421516177.db2.gz KKQCXJJMBLXESO-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001717625802 1421534719 /nfs/dbraw/zinc/53/47/19/1421534719.db2.gz VEXWPZNESISSLX-GBESFXJTSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC2CC3(CCC3)C2)CC[N@@H+]1C ZINC001717668972 1421558955 /nfs/dbraw/zinc/55/89/55/1421558955.db2.gz MQGMVLFFDMMPTQ-YTQUADARSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](CCC[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717673193 1421560762 /nfs/dbraw/zinc/56/07/62/1421560762.db2.gz SAYCRUWLMCPKEU-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001717738459 1421602584 /nfs/dbraw/zinc/60/25/84/1421602584.db2.gz KBWXTZYSHOBOGB-MSOLQXFVSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCC2CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001717804778 1421631559 /nfs/dbraw/zinc/63/15/59/1421631559.db2.gz IGTKJCWQBHAZPU-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001717839623 1421654195 /nfs/dbraw/zinc/65/41/95/1421654195.db2.gz BNNAYIHGHWZXKS-CTNGQTDRSA-N 2 0 347.547 3.166 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001717840816 1421655630 /nfs/dbraw/zinc/65/56/30/1421655630.db2.gz LIMOPABAKDNCKS-LMMKCTJWSA-N 2 0 349.544 3.010 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001717840997 1421656172 /nfs/dbraw/zinc/65/61/72/1421656172.db2.gz MSFGVNGLWUOHEC-NLWGTHIKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001717895482 1421693342 /nfs/dbraw/zinc/69/33/42/1421693342.db2.gz MTQZZFZPIJIHCQ-JJEJIETFSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001717905274 1421701184 /nfs/dbraw/zinc/70/11/84/1421701184.db2.gz OTYWDAFUEUVJSR-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)[NH+](C)C ZINC001717972023 1421743658 /nfs/dbraw/zinc/74/36/58/1421743658.db2.gz YAINEQYFNHWVQW-IAGOWNOFSA-N 2 0 339.568 3.129 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717979855 1421751148 /nfs/dbraw/zinc/75/11/48/1421751148.db2.gz KTYYJWXOEAKBHY-QGZVFWFLSA-N 2 0 337.552 3.147 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001717985327 1421758191 /nfs/dbraw/zinc/75/81/91/1421758191.db2.gz FYNITZWCEYBBQB-RNBODJDXSA-N 2 0 337.552 3.146 10 0 EGAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001717994184 1421762912 /nfs/dbraw/zinc/76/29/12/1421762912.db2.gz VFCDLWBXVPQLIZ-UHFFFAOYSA-N 2 0 335.536 3.185 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001717996419 1421764265 /nfs/dbraw/zinc/76/42/65/1421764265.db2.gz CXINFMNECJYABR-MHJFOBGBSA-N 2 0 345.531 3.229 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C1CC([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001717999013 1421766551 /nfs/dbraw/zinc/76/65/51/1421766551.db2.gz TXKPSIJOPPGOHH-LMDPOFIKSA-N 2 0 345.531 3.285 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1=CC[NH+](CCCC(C)C)CC1 ZINC001718033513 1421785448 /nfs/dbraw/zinc/78/54/48/1421785448.db2.gz MLIUEYOVVMYWTD-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001733765336 1429986280 /nfs/dbraw/zinc/98/62/80/1429986280.db2.gz UBYJOXZDBPISDN-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C1 ZINC001733409651 1429608807 /nfs/dbraw/zinc/60/88/07/1429608807.db2.gz BSSXNBTUHSLLKW-WIYYLYMNSA-N 2 0 345.531 3.369 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001733416260 1429620509 /nfs/dbraw/zinc/62/05/09/1429620509.db2.gz IZFAOCNHWHDTTR-GHTZIAJQSA-N 2 0 345.531 3.285 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001733419163 1429624158 /nfs/dbraw/zinc/62/41/58/1429624158.db2.gz TYLGGYGPLGFUOS-NQIIRXRSSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC001723039109 1424291886 /nfs/dbraw/zinc/29/18/86/1424291886.db2.gz JXARXNGLMGPCJD-UHFFFAOYSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001723202343 1424320129 /nfs/dbraw/zinc/32/01/29/1424320129.db2.gz CEPAZSDJPGTJNY-HDICACEKSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC2(C1)CC[NH+](CCC1CCCCC1)CC2 ZINC001723698178 1424534968 /nfs/dbraw/zinc/53/49/68/1424534968.db2.gz ITMYBZFKAOHMOS-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001723855173 1424585885 /nfs/dbraw/zinc/58/58/85/1424585885.db2.gz DXJRWCCLSOJMPB-PKOBYXMFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)[C@H](C)C1 ZINC001723859247 1424588227 /nfs/dbraw/zinc/58/82/27/1424588227.db2.gz FTXOYWIQTJDXSN-YLJYHZDGSA-N 2 0 345.531 3.377 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001723906082 1424602088 /nfs/dbraw/zinc/60/20/88/1424602088.db2.gz JRVVDMYWXRXELF-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001733541326 1429747228 /nfs/dbraw/zinc/74/72/28/1429747228.db2.gz YBZUWQVIFKCFIT-FXAWDEMLSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@]1(C[NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001724222868 1424741411 /nfs/dbraw/zinc/74/14/11/1424741411.db2.gz MFVGBRFVTRJFGU-PZJWPPBQSA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724239876 1424750527 /nfs/dbraw/zinc/75/05/27/1424750527.db2.gz OCDOMTZPEXHQIF-KYSHAVLXSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001724300993 1424784566 /nfs/dbraw/zinc/78/45/66/1424784566.db2.gz MAZNOUMGOALCIG-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724302728 1424787033 /nfs/dbraw/zinc/78/70/33/1424787033.db2.gz NMSZGWIACBHWGK-WAYWQWQTSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001724343606 1424843505 /nfs/dbraw/zinc/84/35/05/1424843505.db2.gz MYVVTCFXZINLPP-FQEVSTJZSA-N 2 0 335.536 3.047 10 0 EGAERP CCCC[NH+]1CCC([C@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001724507756 1424884002 /nfs/dbraw/zinc/88/40/02/1424884002.db2.gz FZODFDDIPUHGBC-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C(C)C ZINC001724511065 1424887535 /nfs/dbraw/zinc/88/75/35/1424887535.db2.gz DYOYSICPNJXUFA-IBGZPJMESA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C1([NH+](C)C)CCC1)C2 ZINC001733563579 1429762792 /nfs/dbraw/zinc/76/27/92/1429762792.db2.gz SPHGBOGFPSBTGU-REPLKXPHSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564952 1424916179 /nfs/dbraw/zinc/91/61/79/1424916179.db2.gz VTNSLURYGFLPDI-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724564955 1424916497 /nfs/dbraw/zinc/91/64/97/1424916497.db2.gz VTNSLURYGFLPDI-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724655460 1425019913 /nfs/dbraw/zinc/01/99/13/1425019913.db2.gz LYBZAKVHOZOMAB-LXORQPIJSA-N 2 0 335.536 3.140 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001724659461 1425033708 /nfs/dbraw/zinc/03/37/08/1425033708.db2.gz YUPWOLYVLWZDEV-UVRCQCPESA-N 2 0 347.547 3.140 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001724712008 1425067325 /nfs/dbraw/zinc/06/73/25/1425067325.db2.gz PWIDRWLVWUKDEX-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001724728430 1425079834 /nfs/dbraw/zinc/07/98/34/1425079834.db2.gz NTSAQUWQJRDXHY-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C ZINC001724738907 1425099788 /nfs/dbraw/zinc/09/97/88/1425099788.db2.gz RSFJPMKKHOTIOP-LJQANCHMSA-N 2 0 331.504 3.019 10 0 EGAERP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001724745412 1425114033 /nfs/dbraw/zinc/11/40/33/1425114033.db2.gz ICGJTUVJGSRDRD-PXNSSMCTSA-N 2 0 345.531 3.484 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CC[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001724753126 1425123898 /nfs/dbraw/zinc/12/38/98/1425123898.db2.gz YFVKBZXTZNEWDM-MOPGFXCFSA-N 2 0 345.531 3.224 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001724787466 1425153651 /nfs/dbraw/zinc/15/36/51/1425153651.db2.gz FFXMBDQDJFRINI-SNAWJCMRSA-N 2 0 347.547 3.237 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001724857910 1425235286 /nfs/dbraw/zinc/23/52/86/1425235286.db2.gz OZQJRGSAAKGCHY-DLBZAZTESA-N 2 0 349.494 3.009 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H](CC)[NH+](CC)CC)C2 ZINC001724901936 1425295876 /nfs/dbraw/zinc/29/58/76/1425295876.db2.gz ZPBQBFICYMHQSO-ICSRJNTNSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001724924261 1425315208 /nfs/dbraw/zinc/31/52/08/1425315208.db2.gz XOFSRWQNQZRWEZ-INIZCTEOSA-N 2 0 331.504 3.005 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001724957887 1425345004 /nfs/dbraw/zinc/34/50/04/1425345004.db2.gz ZNYURLGEKKJEPI-HKVCONOFSA-N 2 0 347.547 3.330 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C)([NH2+]CC2CCCCC2)CC1 ZINC001724962331 1425351602 /nfs/dbraw/zinc/35/16/02/1425351602.db2.gz VUMDYSSHBUCADH-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@H]1C ZINC001724991285 1425394259 /nfs/dbraw/zinc/39/42/59/1425394259.db2.gz CDERVXADWFBNED-IIFCEKJISA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001724997472 1425404806 /nfs/dbraw/zinc/40/48/06/1425404806.db2.gz SMMHAPHIMNJXCF-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724999039 1425407166 /nfs/dbraw/zinc/40/71/66/1425407166.db2.gz RHMRWALFYLNOLY-ZBWOGFRMSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725092536 1425535621 /nfs/dbraw/zinc/53/56/21/1425535621.db2.gz DAJWWYFSERZCAX-LSDHHAIUSA-N 2 0 330.476 3.319 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725097353 1425541745 /nfs/dbraw/zinc/54/17/45/1425541745.db2.gz OWTPBSOHKBTMNO-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)CC[NH+]1CCCCC1 ZINC001725148847 1425632705 /nfs/dbraw/zinc/63/27/05/1425632705.db2.gz VIWZJHBFNFWFEX-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001725173438 1425684780 /nfs/dbraw/zinc/68/47/80/1425684780.db2.gz BPLAVSOKNJWIQR-KRWDZBQOSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1CCCC1 ZINC001725174316 1425687149 /nfs/dbraw/zinc/68/71/49/1425687149.db2.gz QKPIGICWXQCNQT-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCC[C@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001725415692 1426060143 /nfs/dbraw/zinc/06/01/43/1426060143.db2.gz HCNUKOTVPVYYJQ-ZWKOTPCHSA-N 2 0 331.504 3.026 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001725441874 1426102671 /nfs/dbraw/zinc/10/26/71/1426102671.db2.gz YVHIZMCDTYOZSQ-RBUKOAKNSA-N 2 0 331.504 3.106 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725455106 1426120984 /nfs/dbraw/zinc/12/09/84/1426120984.db2.gz MROGFNWRHHSMNT-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001725505890 1426188253 /nfs/dbraw/zinc/18/82/53/1426188253.db2.gz NYSMOGLPRDRBND-SJORKVTESA-N 2 0 347.547 3.433 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001725629623 1426297402 /nfs/dbraw/zinc/29/74/02/1426297402.db2.gz NCAITGSFSCSWGA-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCC3)C[C@H]21 ZINC001725635088 1426305975 /nfs/dbraw/zinc/30/59/75/1426305975.db2.gz VCCAVUFJYXKTKM-GUDVDZBRSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001725669152 1426352850 /nfs/dbraw/zinc/35/28/50/1426352850.db2.gz IMLYIYAOUVFIDW-JTHGQSKGSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001725730154 1426399463 /nfs/dbraw/zinc/39/94/63/1426399463.db2.gz CCEXKDYNEXTBPH-GOSISDBHSA-N 2 0 345.531 3.258 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001731240875 1427196572 /nfs/dbraw/zinc/19/65/72/1427196572.db2.gz UCCRFWLSPXOXCU-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)C2CC[NH+](CCCC(C)C)CC2)CC[N@@H+]1C ZINC001731347596 1427285203 /nfs/dbraw/zinc/28/52/03/1427285203.db2.gz NIWXCINFPLWCHO-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001731388045 1427337759 /nfs/dbraw/zinc/33/77/59/1427337759.db2.gz RISKEPLGHGFUPQ-AATRIKPKSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001731486072 1427460697 /nfs/dbraw/zinc/46/06/97/1427460697.db2.gz GGQXNYYQVBOESA-HSALFYBXSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731558837 1427589846 /nfs/dbraw/zinc/58/98/46/1427589846.db2.gz MLXNBBYIFOSLBI-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001731569800 1427609787 /nfs/dbraw/zinc/60/97/87/1427609787.db2.gz FQKHOZXAMDCIHE-VDDXMMDCSA-N 2 0 335.536 3.090 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CCC(C)CC1)CC1CCC2(CC2)CC1 ZINC001731812472 1427997896 /nfs/dbraw/zinc/99/78/96/1427997896.db2.gz FCAVGJSXYNLJTK-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@@H]2CNC(=O)CC[C@@H]2CCC[N@H+]2C)cs1 ZINC001731829781 1428037448 /nfs/dbraw/zinc/03/74/48/1428037448.db2.gz SIFDWUMWCISIQZ-ZWKOTPCHSA-N 2 0 349.544 3.012 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CCC1=CCCCC1 ZINC001733603341 1429810966 /nfs/dbraw/zinc/81/09/66/1429810966.db2.gz SYSZIEAEBJVVDX-VQTJNVASSA-N 2 0 347.547 3.284 10 0 EGAERP CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001733681570 1429892077 /nfs/dbraw/zinc/89/20/77/1429892077.db2.gz FOQRYUGJOCVUHI-YLJYHZDGSA-N 2 0 345.531 3.484 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC2([NH2+]CCCC3CCC3)CCC2)C1 ZINC001733725504 1429950571 /nfs/dbraw/zinc/95/05/71/1429950571.db2.gz APNQBCRGYSRPBO-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CCC1([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001733808873 1430082292 /nfs/dbraw/zinc/08/22/92/1430082292.db2.gz ATQUBUDMCYOUIN-CEXWTWQISA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001733853733 1437688024 /nfs/dbraw/zinc/68/80/24/1437688024.db2.gz NXTNMGPVPTYGLM-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)CCCCC1 ZINC001733866393 1437694077 /nfs/dbraw/zinc/69/40/77/1437694077.db2.gz BEXWHSSUPKHHOU-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001733870197 1437696354 /nfs/dbraw/zinc/69/63/54/1437696354.db2.gz ZUVZIMVYBISRQJ-CALCHBBNSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C)c(C)c2)CC1 ZINC001733870239 1437696383 /nfs/dbraw/zinc/69/63/83/1437696383.db2.gz QAGLCQAVFJSDIW-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CC[NH+](C)CC ZINC001733907100 1437725518 /nfs/dbraw/zinc/72/55/18/1437725518.db2.gz KUDJLJNIOHULFN-XLIONFOSSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001733974231 1437774135 /nfs/dbraw/zinc/77/41/35/1437774135.db2.gz UDALGOAMZTXZEG-IAGOWNOFSA-N 2 0 325.541 3.170 10 0 EGAERP C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)[C@H](C)[NH2+]CCC(C)(C)C ZINC001733981903 1437779145 /nfs/dbraw/zinc/77/91/45/1437779145.db2.gz IVSRNWGFLIKUGV-DLBZAZTESA-N 2 0 347.547 3.323 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001734003072 1437795445 /nfs/dbraw/zinc/79/54/45/1437795445.db2.gz NJGFNSQDXWBFOT-ZWKOTPCHSA-N 2 0 345.531 3.108 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCC2)CC1 ZINC001734010456 1437801888 /nfs/dbraw/zinc/80/18/88/1437801888.db2.gz CCYNMLOGMWKCKN-XBMUEBEBSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001734011757 1437802957 /nfs/dbraw/zinc/80/29/57/1437802957.db2.gz XZHATECDNHDMHD-UHFFFAOYSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001734020577 1437809689 /nfs/dbraw/zinc/80/96/89/1437809689.db2.gz VHZWAZJRXUGZMG-SFHVURJKSA-N 2 0 337.552 3.147 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH+](C)CCC1CCCCCC1 ZINC001734048261 1437837599 /nfs/dbraw/zinc/83/75/99/1437837599.db2.gz UDMCEIZLLPPGSR-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001734089370 1437874168 /nfs/dbraw/zinc/87/41/68/1437874168.db2.gz ZZGQSQSHCRBLDG-LXORQPIJSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734261610 1437978317 /nfs/dbraw/zinc/97/83/17/1437978317.db2.gz OZBHJBDVGFXBES-IEBWSBKVSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262027 1437979414 /nfs/dbraw/zinc/97/94/14/1437979414.db2.gz HQUCFFFVSHHCHP-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734338876 1438059889 /nfs/dbraw/zinc/05/98/89/1438059889.db2.gz JGKOSSSCHWNQIW-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001734339236 1438060248 /nfs/dbraw/zinc/06/02/48/1438060248.db2.gz LSJOZKPOZNBGPP-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001734339803 1438060783 /nfs/dbraw/zinc/06/07/83/1438060783.db2.gz PSNGTDPTHVFUJZ-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001734341045 1438061453 /nfs/dbraw/zinc/06/14/53/1438061453.db2.gz ZDSMRHOKIVUPHC-LPHOPBHVSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001734350910 1438068735 /nfs/dbraw/zinc/06/87/35/1438068735.db2.gz LFDTXPFCXMXRMG-MJGOQNOKSA-N 2 0 345.531 3.088 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001734498386 1438133468 /nfs/dbraw/zinc/13/34/68/1438133468.db2.gz IDBXCNCIQFWKGC-VUOWKATKSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734546672 1438142667 /nfs/dbraw/zinc/14/26/67/1438142667.db2.gz BJCCNYWWLCVXCY-HXUWFJFHSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001734564652 1438160892 /nfs/dbraw/zinc/16/08/92/1438160892.db2.gz RBIQNPJHTKRJKO-SFHVURJKSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001734578192 1438170780 /nfs/dbraw/zinc/17/07/80/1438170780.db2.gz RSEABXCQHMRSFH-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001734583610 1438174311 /nfs/dbraw/zinc/17/43/11/1438174311.db2.gz CIUWXQDXPZPRFM-INIZCTEOSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](C(=O)N(C)C1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001734600983 1438182843 /nfs/dbraw/zinc/18/28/43/1438182843.db2.gz UPVLSXKFQUYXPA-WWDZGPRUSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001734605125 1438185271 /nfs/dbraw/zinc/18/52/71/1438185271.db2.gz VWYICFIPKLVTCT-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@@H]2CCC[C@H](C)C2)CC1 ZINC001734637140 1438196683 /nfs/dbraw/zinc/19/66/83/1438196683.db2.gz NSDIVPUNETXGBM-OALUTQOASA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CCC(C)(C)C ZINC001750936318 1440114992 /nfs/dbraw/zinc/11/49/92/1440114992.db2.gz ZDQOWADTCHOBJT-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP Cc1nc2cc(NC(=O)c3cccc(C[NH+]4CC=CC4)c3)ccc2[nH]1 ZINC000101980996 219177266 /nfs/dbraw/zinc/17/72/66/219177266.db2.gz BVQISWRMWFPNAX-UHFFFAOYSA-N 2 0 332.407 3.495 10 0 EGAERP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562059 296122578 /nfs/dbraw/zinc/12/25/78/296122578.db2.gz TZEGYJBNWOOEFH-SJORKVTESA-N 2 0 339.524 3.240 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cccc(OCCCOC)c2)[C@H](C)C1 ZINC000093639767 218236070 /nfs/dbraw/zinc/23/60/70/218236070.db2.gz IJUCOTPTYZIGLZ-YLJYHZDGSA-N 2 0 334.504 3.264 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC(F)F)c(OC)c2)[C@@H](C)C1 ZINC000246506926 141012984 /nfs/dbraw/zinc/01/29/84/141012984.db2.gz IAKWDFGPTBNSNS-DZGCQCFKSA-N 2 0 342.430 3.459 10 0 EGAERP c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)c[nH]1 ZINC000339488491 141122209 /nfs/dbraw/zinc/12/22/09/141122209.db2.gz PHXUQIZSKNZAFA-FQEVSTJZSA-N 2 0 339.483 3.033 10 0 EGAERP Cc1ccc2[nH+]ccc(NCc3cccnc3N3CC[NH+](C)CC3)c2c1 ZINC000185544266 144114715 /nfs/dbraw/zinc/11/47/15/144114715.db2.gz HVHKYRFWDFKFNU-UHFFFAOYSA-N 2 0 347.466 3.302 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCCC[C@@H]2c2nccs2)CC1 ZINC000192728834 153256781 /nfs/dbraw/zinc/25/67/81/153256781.db2.gz HCLGGXWBRCTNBL-QGZVFWFLSA-N 2 0 336.549 3.086 10 0 EGAERP OCCCCCC[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000248410802 163001758 /nfs/dbraw/zinc/00/17/58/163001758.db2.gz YIPJPIDFGNKIBG-PCCBWWKXSA-N 2 0 330.516 3.429 10 0 EGAERP C[C@@H]1CC[N@H+](CCC(=O)c2ccc(F)cc2F)C[C@H]1n1ccnc1 ZINC000248564515 163015025 /nfs/dbraw/zinc/01/50/25/163015025.db2.gz OGGUPHAYAGJDGV-CXAGYDPISA-N 2 0 333.382 3.317 10 0 EGAERP C[C@@H](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000354370748 166010860 /nfs/dbraw/zinc/01/08/60/166010860.db2.gz BPLBSMJAZOSKJU-ICSRJNTNSA-N 2 0 345.531 3.278 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC([NH+]2CCCCC2)CC1 ZINC000346142293 164347825 /nfs/dbraw/zinc/34/78/25/164347825.db2.gz AHKLDGKDJBVJEG-UHFFFAOYSA-N 2 0 339.487 3.026 10 0 EGAERP C[C@@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350945734 165084200 /nfs/dbraw/zinc/08/42/00/165084200.db2.gz AGQQZDOWQRSLPI-IRXDYDNUSA-N 2 0 343.515 3.016 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccccc2-c2ccnn2C)CC1 ZINC000352442175 165409394 /nfs/dbraw/zinc/40/93/94/165409394.db2.gz LNIIIOISTGSRLO-UHFFFAOYSA-N 2 0 326.488 3.299 10 0 EGAERP CN1CCC[C@H]1C[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000365973318 168066171 /nfs/dbraw/zinc/06/61/71/168066171.db2.gz VJGVAQSYZXALOM-HNNXBMFYSA-N 2 0 338.377 3.279 10 0 EGAERP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366886816 168152737 /nfs/dbraw/zinc/15/27/37/168152737.db2.gz OYPPRKXRIKLYQC-HDYDNRTBSA-N 2 0 334.479 3.380 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1)NC(=O)OC(C)(C)C ZINC000367975430 168291779 /nfs/dbraw/zinc/29/17/79/168291779.db2.gz YHIPTDFNLJLNMK-BRWVUGGUSA-N 2 0 339.524 3.142 10 0 EGAERP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]CCCC[NH+]1CCOCC1 ZINC000158788237 225086368 /nfs/dbraw/zinc/08/63/68/225086368.db2.gz NYRKENIRCNVTCP-CVEARBPZSA-N 2 0 347.528 3.490 10 0 EGAERP Cc1ccncc1C[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000280658321 275478631 /nfs/dbraw/zinc/47/86/31/275478631.db2.gz BKWOWEKKMZBAGO-MRXNPFEDSA-N 2 0 342.462 3.132 10 0 EGAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(F)c2ccccc21 ZINC000289349140 276325965 /nfs/dbraw/zinc/32/59/65/276325965.db2.gz FXBXDKUIPGWKCL-MRXNPFEDSA-N 2 0 329.463 3.267 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]CCc1ccc(C(C)(C)C)cc1 ZINC000290932282 276562448 /nfs/dbraw/zinc/56/24/48/276562448.db2.gz SDZZQBFRWGEKLY-GOSISDBHSA-N 2 0 331.548 3.142 10 0 EGAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]3C[C@]32C)c1 ZINC000337384392 277213829 /nfs/dbraw/zinc/21/38/29/277213829.db2.gz KKDVTJQALGKERE-CEWLAPEOSA-N 2 0 346.515 3.312 10 0 EGAERP COc1cccc([C@@H]2[C@H](NCC[C@@H]3CCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000338634252 278020822 /nfs/dbraw/zinc/02/08/22/278020822.db2.gz UZVWZGVPPVQVFG-IOMROCGXSA-N 2 0 343.515 3.047 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000164973745 288103508 /nfs/dbraw/zinc/10/35/08/288103508.db2.gz NEGMABQUABPCEO-GJGATLCTSA-N 2 0 335.561 3.449 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@@H]1C ZINC000354425573 279397670 /nfs/dbraw/zinc/39/76/70/279397670.db2.gz JTCYXLKBCGXYQR-FXAWDEMLSA-N 2 0 343.515 3.227 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@H](O)C(C)C ZINC000414302784 309071590 /nfs/dbraw/zinc/07/15/90/309071590.db2.gz BWIHVTOZNXVCBA-JRGCBEDISA-N 2 0 332.532 3.467 10 0 EGAERP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1)Cc1ccccc1 ZINC000248586008 308006242 /nfs/dbraw/zinc/00/62/42/308006242.db2.gz QBIGUAHQWJDYHH-IOMROCGXSA-N 2 0 330.516 3.223 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000249627068 308026965 /nfs/dbraw/zinc/02/69/65/308026965.db2.gz QBBJLDWBEZKANO-HIFRSBDPSA-N 2 0 325.294 3.312 10 0 EGAERP CC1(C)OCC[C@@H]1[NH2+]Cc1ccccc1C[NH2+][C@H]1CCOC1(C)C ZINC000295236774 308306004 /nfs/dbraw/zinc/30/60/04/308306004.db2.gz OYLUEYNZGOHJAF-ROUUACIJSA-N 2 0 332.488 3.001 10 0 EGAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414816612 309103489 /nfs/dbraw/zinc/10/34/89/309103489.db2.gz QEZISLDLYWNXBH-HUUCEWRRSA-N 2 0 341.455 3.222 10 0 EGAERP Cc1cccc2c(NC3CC[NH+](C[C@H]4CCOC4)CC3)cc[nH+]c12 ZINC000301642612 308708691 /nfs/dbraw/zinc/70/86/91/308708691.db2.gz BTQZBWUFLGYSRR-MRXNPFEDSA-N 2 0 325.456 3.456 10 0 EGAERP CCCc1cc(N2CC[NH+](C[C@@H](O)CC)CC2)c2ccccc2[nH+]1 ZINC000301769062 308714554 /nfs/dbraw/zinc/71/45/54/308714554.db2.gz CQSNWMMWXDLXDM-KRWDZBQOSA-N 2 0 327.472 3.080 10 0 EGAERP CC(C)COc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415048826 309116505 /nfs/dbraw/zinc/11/65/05/309116505.db2.gz GGLDIPPACQZJQF-UHFFFAOYSA-N 2 0 345.531 3.027 10 0 EGAERP Clc1oc2ccccc2c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415050583 309116647 /nfs/dbraw/zinc/11/66/47/309116647.db2.gz IPKROVXHTUARPI-UHFFFAOYSA-N 2 0 347.890 3.392 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCC[NH2+]2)cc1OC ZINC000415081091 309118794 /nfs/dbraw/zinc/11/87/94/309118794.db2.gz JZWGKBAINPRMAU-KURKYZTESA-N 2 0 332.488 3.147 10 0 EGAERP [NH3+][C@H]1CCO[C@H](C2CC[NH+](CCCCOc3ccccc3)CC2)C1 ZINC000415127296 309122317 /nfs/dbraw/zinc/12/23/17/309122317.db2.gz QVYCZPCHWSZHLJ-ICSRJNTNSA-N 2 0 332.488 3.064 10 0 EGAERP [NH3+][C@H]1CCO[C@@H](C2CC[NH+](CCCCOc3ccccc3)CC2)C1 ZINC000415127295 309122409 /nfs/dbraw/zinc/12/24/09/309122409.db2.gz QVYCZPCHWSZHLJ-AZUAARDMSA-N 2 0 332.488 3.064 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccccc1C[NH2+]C)c1ccco1 ZINC000415898625 309146792 /nfs/dbraw/zinc/14/67/92/309146792.db2.gz HYNZLMYSXNNMLS-KRWDZBQOSA-N 2 0 344.459 3.204 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000415940700 309150236 /nfs/dbraw/zinc/15/02/36/309150236.db2.gz FMGFMGFAKLFAAE-HZPDHXFCSA-N 2 0 332.492 3.038 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416147774 309160854 /nfs/dbraw/zinc/16/08/54/309160854.db2.gz BUKSPJMGMCLSAB-SCTDSRPQSA-N 2 0 331.504 3.059 10 0 EGAERP FC(F)(F)c1cccc([C@H]2C[N@H+](CC[C@H]3CCC[NH2+]C3)CCO2)c1 ZINC000420296834 309279812 /nfs/dbraw/zinc/27/98/12/309279812.db2.gz FERSZZRTTLPVNX-RHSMWYFYSA-N 2 0 342.405 3.468 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420376497 309284971 /nfs/dbraw/zinc/28/49/71/309284971.db2.gz PDKBWUUSFSVSFZ-NRFANRHFSA-N 2 0 337.467 3.244 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000420986802 309305890 /nfs/dbraw/zinc/30/58/90/309305890.db2.gz ZBQRIQOTDQUGEO-NHCUHLMSSA-N 2 0 327.516 3.035 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1ccc(Oc2ccc(F)cc2)cc1 ZINC000422795571 309368850 /nfs/dbraw/zinc/36/88/50/309368850.db2.gz HPKHFRPEYNXFBE-QGZVFWFLSA-N 2 0 332.419 3.462 10 0 EGAERP C[C@@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833444 309370958 /nfs/dbraw/zinc/37/09/58/309370958.db2.gz GWTXBPQLARHAGI-CABCVRRESA-N 2 0 330.501 3.118 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422871923 309373073 /nfs/dbraw/zinc/37/30/73/309373073.db2.gz DXKLWOUAZVJTCN-KSZLIROESA-N 2 0 331.504 3.174 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)c1ccccc1-n1cccn1 ZINC000422886477 309374319 /nfs/dbraw/zinc/37/43/19/309374319.db2.gz JDRAIYJRNLUJEH-HOCLYGCPSA-N 2 0 335.455 3.446 10 0 EGAERP COc1ccc(CC[NH2+][C@@H](Cc2ccccc2)[C@@H](C)[NH3+])c(Cl)c1 ZINC000422892393 309374633 /nfs/dbraw/zinc/37/46/33/309374633.db2.gz YGLMHCPOSWAAFO-KUHUBIRLSA-N 2 0 332.875 3.439 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422947303 309377573 /nfs/dbraw/zinc/37/75/73/309377573.db2.gz YEPUUURCSLFSQX-NDXORKPFSA-N 2 0 340.467 3.108 10 0 EGAERP COc1ccc([C@H](NC[C@H](C(C)C)[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422962170 309378407 /nfs/dbraw/zinc/37/84/07/309378407.db2.gz FDVAQYDIVBKSDV-HBMCJLEFSA-N 2 0 345.531 3.198 10 0 EGAERP CO[C@H](c1ccccc1F)[C@@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423022811 309381664 /nfs/dbraw/zinc/38/16/64/309381664.db2.gz FYPLVSFUELMQSJ-CFZJUORYSA-N 2 0 331.435 3.415 10 0 EGAERP CC(C)N1CC[C@@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423039858 309382336 /nfs/dbraw/zinc/38/23/36/309382336.db2.gz GBIXAICHDLYVRD-RZAIGCCYSA-N 2 0 339.886 3.200 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2ccc(C(F)F)cc2)CC[NH2+]CC1 ZINC000423052954 309383224 /nfs/dbraw/zinc/38/32/24/309383224.db2.gz ROEXLLGQASBICY-ZDUSSCGKSA-N 2 0 340.414 3.035 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000423052186 309383236 /nfs/dbraw/zinc/38/32/36/309383236.db2.gz PZDNCNOFDPFPBP-QGZVFWFLSA-N 2 0 330.472 3.471 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1c(OC(C)C)ccc2ccccc21 ZINC000423052185 309383269 /nfs/dbraw/zinc/38/32/69/309383269.db2.gz PZDNCNOFDPFPBP-KRWDZBQOSA-N 2 0 330.472 3.471 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1 ZINC000423069310 309384231 /nfs/dbraw/zinc/38/42/31/309384231.db2.gz DQQULAQYQQQHRU-DJIMGWMZSA-N 2 0 340.458 3.016 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423084364 309385227 /nfs/dbraw/zinc/38/52/27/309385227.db2.gz HVDQFRYEPYYAJP-QFBILLFUSA-N 2 0 338.499 3.021 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000423084362 309385231 /nfs/dbraw/zinc/38/52/31/309385231.db2.gz HVDQFRYEPYYAJP-APWZRJJASA-N 2 0 338.499 3.021 10 0 EGAERP c1csc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000423093694 309385587 /nfs/dbraw/zinc/38/55/87/309385587.db2.gz ABGPZQMYERGUMT-GVDBMIGSSA-N 2 0 334.533 3.012 10 0 EGAERP [NH3+]C1(CN[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000423185341 309389512 /nfs/dbraw/zinc/38/95/12/309389512.db2.gz VGEJOEYIEMZNJX-OWZKRDHZSA-N 2 0 327.516 3.433 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CC2 ZINC000423284952 309393983 /nfs/dbraw/zinc/39/39/83/309393983.db2.gz ZAGAQGVOSWKMKV-DZGCQCFKSA-N 2 0 337.305 3.286 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423390767 309398292 /nfs/dbraw/zinc/39/82/92/309398292.db2.gz KKGDORYAFIBZQP-RVKKMQEKSA-N 2 0 332.492 3.209 10 0 EGAERP CC(C)n1cncc1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000424142004 309430716 /nfs/dbraw/zinc/43/07/16/309430716.db2.gz HPZPCWUPIDYZMC-UHFFFAOYSA-N 2 0 342.487 3.228 10 0 EGAERP CC[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+](CC)CC ZINC000447722219 309986756 /nfs/dbraw/zinc/98/67/56/309986756.db2.gz IWIBAUJCKSAFIS-SJORKVTESA-N 2 0 333.476 3.131 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCOCC2CC2)CC1 ZINC000449067790 310034357 /nfs/dbraw/zinc/03/43/57/310034357.db2.gz OGOJITRFRALSGB-SFHVURJKSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[NH+]2CCC(C)CC2)CC1 ZINC000449081890 310035440 /nfs/dbraw/zinc/03/54/40/310035440.db2.gz IVURDBRQUNAVBC-FQEVSTJZSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H](C)C[NH+]2CCCC2)CC1 ZINC000449086589 310035999 /nfs/dbraw/zinc/03/59/99/310035999.db2.gz CTENPTOORDHJMR-VQTJNVASSA-N 2 0 343.559 3.404 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](O)COCC2CC2)CC1 ZINC000449116923 310038331 /nfs/dbraw/zinc/03/83/31/310038331.db2.gz MVJKAGQSDXKIQK-GOSISDBHSA-N 2 0 340.552 3.043 10 0 EGAERP CC[C@@H](C)[N@H+](C)CCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449119438 310038534 /nfs/dbraw/zinc/03/85/34/310038534.db2.gz ZDUPNORMDYPTOG-RTBURBONSA-N 2 0 331.548 3.402 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2cccc(CO)c2)CC1 ZINC000449130336 310039119 /nfs/dbraw/zinc/03/91/19/310039119.db2.gz YKNLZFHVGNVMKK-SFHVURJKSA-N 2 0 338.495 3.364 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[C@@H](C)[N@@H+](C3CC3)C2)CC1 ZINC000449184823 310042976 /nfs/dbraw/zinc/04/29/76/310042976.db2.gz IJGSJUMHRXJBOS-OPYAIIAOSA-N 2 0 341.543 3.297 10 0 EGAERP COC(=O)[C@@H]1CCCCC[C@@H]1[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000449413474 310059881 /nfs/dbraw/zinc/05/98/81/310059881.db2.gz HGQIAULNUPKQDX-MOPGFXCFSA-N 2 0 336.520 3.495 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000453070777 310255787 /nfs/dbraw/zinc/25/57/87/310255787.db2.gz CCEVMADPVZCLNN-KRWDZBQOSA-N 2 0 334.504 3.202 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H](C2CC2)C2CCCC2)(N2CCCCC2)CC1 ZINC000453118243 310259173 /nfs/dbraw/zinc/25/91/73/310259173.db2.gz KXGBFCHNOSSVED-HXUWFJFHSA-N 2 0 333.564 3.495 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453137007 310260233 /nfs/dbraw/zinc/26/02/33/310260233.db2.gz UTMVCTYYGMLMHV-SJLPKXTDSA-N 2 0 344.503 3.095 10 0 EGAERP C[C@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)C[NH+](C)C ZINC000453227057 310265297 /nfs/dbraw/zinc/26/52/97/310265297.db2.gz CGCSSCQTJQWDAI-YGRLFVJLSA-N 2 0 329.257 3.363 10 0 EGAERP Cn1ccc([C@@H]([NH2+]CCCC[N@H+](C)C2CC2)c2ccc(F)cc2)n1 ZINC000453389308 310274374 /nfs/dbraw/zinc/27/43/74/310274374.db2.gz CBGXELKTHRXVBH-IBGZPJMESA-N 2 0 330.451 3.113 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@H]3CCOC3)C2)c1 ZINC000462791715 310605645 /nfs/dbraw/zinc/60/56/45/310605645.db2.gz LYXHISJITRNEOY-SLFFLAALSA-N 2 0 346.515 3.312 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@@H]3C(C)=CCC[C@H]3C)cn2)CC1 ZINC000479571333 310878010 /nfs/dbraw/zinc/87/80/10/310878010.db2.gz YUIHZTSRQKLJQV-UYAOXDASSA-N 2 0 342.531 3.306 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)NCCC2CCCCC2)CC1 ZINC000488276393 311059248 /nfs/dbraw/zinc/05/92/48/311059248.db2.gz BGGZTBKJZOFTQY-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2conc2Cc2ccccc2)[C@@H](C)C1 ZINC000508727630 312101388 /nfs/dbraw/zinc/10/13/88/312101388.db2.gz SXTZXEDMJZUYLQ-OXJNMPFZSA-N 2 0 327.472 3.428 10 0 EGAERP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1C(=O)N[C@H](C)c1ncc[nH]1 ZINC000529413711 313315331 /nfs/dbraw/zinc/31/53/31/313315331.db2.gz OWHJNBCVSSCLLA-KBAYOESNSA-N 2 0 340.471 3.135 10 0 EGAERP COc1cc2c(cc1C[NH+]1CCC(C[NH+]3CCCC3)CC1)O[C@@H](C)C2 ZINC000535067712 314022922 /nfs/dbraw/zinc/02/29/22/314022922.db2.gz CRFPMIOHUKLZIS-INIZCTEOSA-N 2 0 344.499 3.326 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824427 314147874 /nfs/dbraw/zinc/14/78/74/314147874.db2.gz BBXCXJFHHUOCPT-VFSLUADLSA-N 2 0 341.543 3.359 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCOC2(CCCC2)C1 ZINC000542307698 314534158 /nfs/dbraw/zinc/53/41/58/314534158.db2.gz SRJYEXCPIWRYRT-KRWDZBQOSA-N 2 0 326.444 3.157 10 0 EGAERP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000552040963 315192010 /nfs/dbraw/zinc/19/20/10/315192010.db2.gz PHNTXZQNGJDZEL-QRVBRYPASA-N 2 0 329.488 3.388 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@@H]2CCC[C@H]21 ZINC000552066908 315194868 /nfs/dbraw/zinc/19/48/68/315194868.db2.gz UIHOGEBNLIFBQE-YSIASYRMSA-N 2 0 347.934 3.161 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](Cc2ccccc2C[NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000562984402 315934811 /nfs/dbraw/zinc/93/48/11/315934811.db2.gz HFUBGYNQGPIXDS-CPUCHLNUSA-N 2 0 344.421 3.177 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CCC([NH+](C)C)CC1 ZINC000563618176 316047171 /nfs/dbraw/zinc/04/71/71/316047171.db2.gz OKYRAEOXIMPSRP-DAWZGUTISA-N 2 0 334.504 3.012 10 0 EGAERP COc1cc2c(cc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1)O[C@H](C)C2 ZINC000572129217 317295634 /nfs/dbraw/zinc/29/56/34/317295634.db2.gz COJATTDOLUGVEC-ZIAGYGMSSA-N 2 0 326.440 3.328 10 0 EGAERP Cc1cnc(CC[N@H+]2C[C@@H]3C[NH+](Cc4ccccc4)C[C@@H]3C2)c(C)c1 ZINC000572635663 317368008 /nfs/dbraw/zinc/36/80/08/317368008.db2.gz BWHICFAEMWRLKS-OYRHEFFESA-N 2 0 335.495 3.305 10 0 EGAERP [NH3+]C[C@@H]1CC[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000575894972 324504990 /nfs/dbraw/zinc/50/49/90/324504990.db2.gz UPDIRLZPKGGXPT-WBVHZDCISA-N 2 0 339.487 3.277 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000582056809 325410079 /nfs/dbraw/zinc/41/00/79/325410079.db2.gz NXGASLXZLVZYPS-RYRKJORJSA-N 2 0 327.476 3.229 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181310244 455316311 /nfs/dbraw/zinc/31/63/11/455316311.db2.gz QTLAUGANNLLRBE-ZWKOTPCHSA-N 2 0 339.487 3.135 10 0 EGAERP C[C@H](N[C@@H]1CC[N@H+](C)C(C)(C)C1)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000623487252 460576313 /nfs/dbraw/zinc/57/63/13/460576313.db2.gz YTHPIUVALGNPLZ-DFQSSKMNSA-N 2 0 329.532 3.359 10 0 EGAERP CCOC(=O)[C@H](c1ccccc1)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000245570116 455332787 /nfs/dbraw/zinc/33/27/87/455332787.db2.gz GLQONWXDUZYGPY-NXHRZFHOSA-N 2 0 327.428 3.070 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076148994 453971268 /nfs/dbraw/zinc/97/12/68/453971268.db2.gz RFFPGVHNTJYSSO-MSOLQXFVSA-N 2 0 343.515 3.019 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1(C)C ZINC000623575129 460621768 /nfs/dbraw/zinc/62/17/68/460621768.db2.gz LWLQTEQFFRWHFM-PMACEKPBSA-N 2 0 346.515 3.345 10 0 EGAERP CC[C@@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000042385771 454009417 /nfs/dbraw/zinc/00/94/17/454009417.db2.gz DMTSJUSGLFEHOY-QGZVFWFLSA-N 2 0 343.515 3.030 10 0 EGAERP CC[C@H](C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)Cc1ccccc1 ZINC000042385773 454009612 /nfs/dbraw/zinc/00/96/12/454009612.db2.gz DMTSJUSGLFEHOY-KRWDZBQOSA-N 2 0 343.515 3.030 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2cccc3ccccc32)CC1 ZINC000078594356 454282716 /nfs/dbraw/zinc/28/27/16/454282716.db2.gz AHACMMACJLRJGC-NRFANRHFSA-N 2 0 337.511 3.442 10 0 EGAERP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000090564492 454323129 /nfs/dbraw/zinc/32/31/29/454323129.db2.gz YAGPPIWMVITSLL-DENIHFKCSA-N 2 0 339.527 3.388 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000132592819 454350685 /nfs/dbraw/zinc/35/06/85/454350685.db2.gz AFPVNCVCVIVGRR-MGPUTAFESA-N 2 0 334.479 3.228 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1ccccn1 ZINC000090937043 454351397 /nfs/dbraw/zinc/35/13/97/454351397.db2.gz OSIKKTYRVRTCRS-KRWDZBQOSA-N 2 0 328.460 3.048 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N[C@H](C)c2ccc(F)cc2)CC1 ZINC000047978617 454428088 /nfs/dbraw/zinc/42/80/88/454428088.db2.gz VMPUXGMJFRIAFW-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000122806762 454571000 /nfs/dbraw/zinc/57/10/00/454571000.db2.gz WICXLAJLSCEUGP-MRXNPFEDSA-N 2 0 327.476 3.040 10 0 EGAERP C[C@H]1C[C@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CCN1C ZINC000123330060 454625720 /nfs/dbraw/zinc/62/57/20/454625720.db2.gz IPYFOXMBTKSSAH-GXTWGEPZSA-N 2 0 341.858 3.222 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2cc(F)ccc2F)CC1 ZINC000105862661 454662098 /nfs/dbraw/zinc/66/20/98/454662098.db2.gz OEOPJRVCOSJLPA-KBPBESRZSA-N 2 0 326.431 3.050 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)[C@H](C)C1 ZINC000081096393 454685630 /nfs/dbraw/zinc/68/56/30/454685630.db2.gz YRGPWSKTVAFRLC-PBHICJAKSA-N 2 0 337.895 3.331 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3C)C1 ZINC000107515653 454760346 /nfs/dbraw/zinc/76/03/46/454760346.db2.gz UFSQYAYYNFJFMZ-AHSZXGJYSA-N 2 0 327.516 3.427 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2C[C@@H]3CCC[NH+]3C[C@@H]2C)cc1)C(C)C ZINC000113222531 454918066 /nfs/dbraw/zinc/91/80/66/454918066.db2.gz VRAUUTCHVUVRDW-PXNSSMCTSA-N 2 0 343.515 3.226 10 0 EGAERP C[C@@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cc1 ZINC000127992126 455016200 /nfs/dbraw/zinc/01/62/00/455016200.db2.gz PWLXJJBEKLUIRA-SFHVURJKSA-N 2 0 347.522 3.469 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180642255 455216021 /nfs/dbraw/zinc/21/60/21/455216021.db2.gz PYWFMBZEJBLEEA-HXUWFJFHSA-N 2 0 344.478 3.360 10 0 EGAERP Clc1nc2ccccn2c1CN1CC[C@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000245720467 455363998 /nfs/dbraw/zinc/36/39/98/455363998.db2.gz DHCZQZXOXXWHOB-HOCLYGCPSA-N 2 0 344.890 3.436 10 0 EGAERP CCOCc1cc(C[N@H+](C)[C@@H]2CC[NH+](CC)C[C@@H]2C)ccc1OC ZINC000245728746 455366312 /nfs/dbraw/zinc/36/63/12/455366312.db2.gz JIJKPEBTUPABFJ-QFBILLFUSA-N 2 0 334.504 3.394 10 0 EGAERP CCN(CCCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC000246396957 455482652 /nfs/dbraw/zinc/48/26/52/455482652.db2.gz RIMJYHZSNSXTKW-HKUYNNGSSA-N 2 0 346.519 3.027 10 0 EGAERP C[C@H](NC(=O)[C@H](C)N(C)CC[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000247478143 455607858 /nfs/dbraw/zinc/60/78/58/455607858.db2.gz JWRWLMWVVWUTSE-JENIJYKNSA-N 2 0 331.504 3.059 10 0 EGAERP Cc1nc(F)ccc1C[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000284204127 455650461 /nfs/dbraw/zinc/65/04/61/455650461.db2.gz ZCBABGSLQVISFB-UHFFFAOYSA-N 2 0 343.446 3.292 10 0 EGAERP CC[N@@H+]1CC[C@@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000192692203 455669778 /nfs/dbraw/zinc/66/97/78/455669778.db2.gz NHVHKZNIZXBPMF-UDEWTMQYSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)c1ccsc1 ZINC000268973580 455750634 /nfs/dbraw/zinc/75/06/34/455750634.db2.gz IQFDSKBTIGZFPO-UXPWSPDFSA-N 2 0 344.524 3.456 10 0 EGAERP C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623724082 460691551 /nfs/dbraw/zinc/69/15/51/460691551.db2.gz SLSCIYRPICWQNE-LJCCNALRSA-N 2 0 332.488 3.063 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)cc1Br ZINC000261627406 455915719 /nfs/dbraw/zinc/91/57/19/455915719.db2.gz VKVQJJSQXMALRJ-COPLHBTASA-N 2 0 327.266 3.106 10 0 EGAERP [NH3+]CC1CC[NH+](Cc2c[nH]nc2-c2ccc(C(F)(F)F)cc2)CC1 ZINC000261753690 455940814 /nfs/dbraw/zinc/94/08/14/455940814.db2.gz CJXRVLSIUXVSOH-UHFFFAOYSA-N 2 0 338.377 3.266 10 0 EGAERP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)cc1 ZINC000261953327 455977532 /nfs/dbraw/zinc/97/75/32/455977532.db2.gz OPPKJKGSRFYMRS-AQNXPRMDSA-N 2 0 330.516 3.273 10 0 EGAERP CC(C)Oc1ccncc1COC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000290337288 456297443 /nfs/dbraw/zinc/29/74/43/456297443.db2.gz KADNEJRKFJFOBZ-SFHVURJKSA-N 2 0 338.423 3.125 10 0 EGAERP CC1CC([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)C1 ZINC000340458837 456473032 /nfs/dbraw/zinc/47/30/32/456473032.db2.gz AXLPCCIRRAROEH-SKINQDTJSA-N 2 0 328.500 3.303 10 0 EGAERP CSC1(C[NH2+]Cc2cnc(-c3ccccn3)s2)CC[NH+](C)CC1 ZINC000353214787 456565648 /nfs/dbraw/zinc/56/56/48/456565648.db2.gz DHPWSJMMQFVELH-UHFFFAOYSA-N 2 0 348.541 3.122 10 0 EGAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000337986500 456639368 /nfs/dbraw/zinc/63/93/68/456639368.db2.gz DJJDWHIOTHMHRP-SFTDATJTSA-N 2 0 327.516 3.102 10 0 EGAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)CC1 ZINC000349189604 456907866 /nfs/dbraw/zinc/90/78/66/456907866.db2.gz MCRGXABCVVCOEG-INIZCTEOSA-N 2 0 330.501 3.098 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccc3ccccc3n2)C1 ZINC000354078336 457047104 /nfs/dbraw/zinc/04/71/04/457047104.db2.gz QBMQWPYLMDMGEC-LJQANCHMSA-N 2 0 327.472 3.168 10 0 EGAERP Fc1cc(CC[NH2+]C2CCN(Cc3ccccn3)CC2)cc(F)c1F ZINC000356787478 457167068 /nfs/dbraw/zinc/16/70/68/457167068.db2.gz OUFPUPKFKNEHAF-UHFFFAOYSA-N 2 0 349.400 3.296 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccccc1Cl)C(=O)NCC[NH+](C)C ZINC000347204128 457288110 /nfs/dbraw/zinc/28/81/10/457288110.db2.gz GYLWHOOBYVRDCN-PBHICJAKSA-N 2 0 339.911 3.083 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000397571578 457488128 /nfs/dbraw/zinc/48/81/28/457488128.db2.gz YVCUWUXNKYSJQI-HBFSDRIKSA-N 2 0 330.516 3.428 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)c1 ZINC000397656688 457490129 /nfs/dbraw/zinc/49/01/29/457490129.db2.gz YOHQHENURMMRJO-UHFFFAOYSA-N 2 0 338.495 3.420 10 0 EGAERP C[C@@]1(C[NH2+]Cc2cnn3ccccc23)CCCN1Cc1ccccc1 ZINC000397849541 457492727 /nfs/dbraw/zinc/49/27/27/457492727.db2.gz GNJFJBBVPYHXQV-NRFANRHFSA-N 2 0 334.467 3.479 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517676 457647035 /nfs/dbraw/zinc/64/70/35/457647035.db2.gz DFESLMWSHSBTOJ-MOPGFXCFSA-N 2 0 339.543 3.445 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000361221304 457651378 /nfs/dbraw/zinc/65/13/78/457651378.db2.gz REOGEJIUNZNUQQ-BNDYYXHWSA-N 2 0 344.547 3.145 10 0 EGAERP COc1cccc([C@@H](C)[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)c1 ZINC000375236997 457845241 /nfs/dbraw/zinc/84/52/41/457845241.db2.gz LMAMDKWMSASLME-GOSISDBHSA-N 2 0 345.531 3.106 10 0 EGAERP Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396693 457977298 /nfs/dbraw/zinc/97/72/98/457977298.db2.gz JAZFIOFHONWRCZ-MAUKXSAKSA-N 2 0 348.512 3.381 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(N3CCCCC3)c2)[C@H]2CCC[C@@H]21 ZINC000375794888 458069444 /nfs/dbraw/zinc/06/94/44/458069444.db2.gz WELHMYDXUBYXJX-QYZOEREBSA-N 2 0 328.504 3.034 10 0 EGAERP Cc1nc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cs1 ZINC000362485149 458209502 /nfs/dbraw/zinc/20/95/02/458209502.db2.gz JYPJOYVAZMPWEJ-OAHLLOKOSA-N 2 0 336.549 3.052 10 0 EGAERP c1nc(-c2ccccn2)sc1C[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000446891338 458242787 /nfs/dbraw/zinc/24/27/87/458242787.db2.gz XEOGQYKUCIFHRE-UHFFFAOYSA-N 2 0 328.485 3.169 10 0 EGAERP CC1CC[NH+](CCCC[NH2+]Cc2ccnn2-c2ccccc2)CC1 ZINC000447935797 458368060 /nfs/dbraw/zinc/36/80/60/458368060.db2.gz JUXUOTBATSAZOV-UHFFFAOYSA-N 2 0 326.488 3.474 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+](Cc3ccc(C4CC4)cc3)CC2)CC1 ZINC000459474236 458383914 /nfs/dbraw/zinc/38/39/14/458383914.db2.gz CRCBKULSNHCBHM-UHFFFAOYSA-N 2 0 341.543 3.414 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@@H]2CCC[NH2+]2)CC1 ZINC000423476582 458438041 /nfs/dbraw/zinc/43/80/41/458438041.db2.gz JBDMYMQUPZAEOR-QUCCMNQESA-N 3 0 329.532 3.204 10 0 EGAERP Cc1cccc(C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)c1 ZINC000423523128 458450850 /nfs/dbraw/zinc/45/08/50/458450850.db2.gz VPMSXSPTVBWILL-HRTMPFAESA-N 2 0 341.543 3.122 10 0 EGAERP CCCOc1ccc([C@@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423523435 458451480 /nfs/dbraw/zinc/45/14/80/458451480.db2.gz VUTUWHCUHPWEEO-QHGAOEGBSA-N 2 0 345.531 3.342 10 0 EGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000431612324 458595984 /nfs/dbraw/zinc/59/59/84/458595984.db2.gz WXHKDUUGNPXBII-FQEVSTJZSA-N 2 0 345.531 3.409 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]C[C@@H]3CC[N@H+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273029 458600845 /nfs/dbraw/zinc/60/08/45/458600845.db2.gz RXSYZDQPMHPSQD-VNXMGFANSA-N 2 0 342.527 3.344 10 0 EGAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000424427989 458640409 /nfs/dbraw/zinc/64/04/09/458640409.db2.gz RAVUDYFNDANJCC-RTBURBONSA-N 2 0 338.455 3.021 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)OC)c1 ZINC000530206322 458716883 /nfs/dbraw/zinc/71/68/83/458716883.db2.gz ANJISLHSVTYRQZ-WCIQWLHISA-N 2 0 332.488 3.283 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000503927933 458730411 /nfs/dbraw/zinc/73/04/11/458730411.db2.gz KUMLEIYWLJBUSN-FXAWDEMLSA-N 2 0 343.515 3.437 10 0 EGAERP CCCCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530248756 458730899 /nfs/dbraw/zinc/73/08/99/458730899.db2.gz OUCQROHGTHVZAW-OAQYLSRUSA-N 2 0 346.515 3.456 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(OCC[N@H+](C)C3CCOCC3)c2)[C@@H]1C ZINC000495067023 458791722 /nfs/dbraw/zinc/79/17/22/458791722.db2.gz HQNCFMPUAWAJTN-CBGDNZLLSA-N 2 0 346.515 3.310 10 0 EGAERP Cc1cccc2c(NCCC[N@@H+]3CCCO[C@H](C)C3)c(C)c[nH+]c12 ZINC000432875552 458805426 /nfs/dbraw/zinc/80/54/26/458805426.db2.gz XFGLTOVDYVRIDF-QGZVFWFLSA-N 2 0 327.472 3.186 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000474729935 458899487 /nfs/dbraw/zinc/89/94/87/458899487.db2.gz NRXHFROSFUQASB-UHFFFAOYSA-N 2 0 326.488 3.392 10 0 EGAERP CC(C)[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000475146831 458924159 /nfs/dbraw/zinc/92/41/59/458924159.db2.gz ZEYAYXWNMMXKKR-SLFFLAALSA-N 2 0 345.531 3.210 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCOC2CCCC2)CC1 ZINC000531532293 458930843 /nfs/dbraw/zinc/93/08/43/458930843.db2.gz WOIOJRDGQNBETN-UHFFFAOYSA-N 2 0 345.531 3.267 10 0 EGAERP C[C@H](CCc1n[nH]c2ccccc21)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000475555415 458951770 /nfs/dbraw/zinc/95/17/70/458951770.db2.gz LWKBCEJIDSKEKB-KLAILNCOSA-N 2 0 326.488 3.491 10 0 EGAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)c1 ZINC000475577310 458953302 /nfs/dbraw/zinc/95/33/02/458953302.db2.gz XUVBGGZTZIWOSM-FAEJEUNOSA-N 2 0 345.487 3.019 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)c1 ZINC000566735741 458992069 /nfs/dbraw/zinc/99/20/69/458992069.db2.gz OFSDRGKONOZVLQ-UFIJLVKWSA-N 2 0 341.499 3.442 10 0 EGAERP COC(=O)c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c(C)o1 ZINC000594598639 459105117 /nfs/dbraw/zinc/10/51/17/459105117.db2.gz AIBKTERTQGUZGO-UHFFFAOYSA-N 2 0 342.439 3.260 10 0 EGAERP Cc1c(F)cccc1NC(=O)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000567689689 459145987 /nfs/dbraw/zinc/14/59/87/459145987.db2.gz PDUFHOZEQZIVFS-MQVJKMGUSA-N 2 0 333.451 3.068 10 0 EGAERP Clc1cccc2c1CC[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000521424376 459151235 /nfs/dbraw/zinc/15/12/35/459151235.db2.gz WYGMRIBNZNFYGV-JFIBYHEFSA-N 2 0 333.907 3.133 10 0 EGAERP CCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000568050756 459214647 /nfs/dbraw/zinc/21/46/47/459214647.db2.gz DVRHGIGYACLHBQ-VAMGGRTRSA-N 2 0 328.500 3.358 10 0 EGAERP CC[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480794395 459219334 /nfs/dbraw/zinc/21/93/34/459219334.db2.gz JALCZYSETDFXLA-NRSPTQNISA-N 2 0 329.532 3.361 10 0 EGAERP CC[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)[NH+]1CCCC1 ZINC000480794393 459219576 /nfs/dbraw/zinc/21/95/76/459219576.db2.gz JALCZYSETDFXLA-HMXCVIKNSA-N 2 0 329.532 3.361 10 0 EGAERP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)C[NH+]1CCCC1 ZINC000481325075 459245845 /nfs/dbraw/zinc/24/58/45/459245845.db2.gz SKUPPPFYJGWPMN-SVFBPWRDSA-N 2 0 329.532 3.219 10 0 EGAERP C[NH+](C)C1CC(NCc2cc(Cl)ccc2OCc2cccnc2)C1 ZINC000582856345 459440403 /nfs/dbraw/zinc/44/04/03/459440403.db2.gz NYECLRCHBPHKEV-UHFFFAOYSA-N 2 0 345.874 3.496 10 0 EGAERP CN(Cc1nc(-c2ccccc2)c[nH]1)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000569492015 459461575 /nfs/dbraw/zinc/46/15/75/459461575.db2.gz HGTRVOJQJLNJIM-UHFFFAOYSA-N 2 0 332.451 3.354 10 0 EGAERP COC(=O)c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c(C)s1 ZINC000595901262 459481836 /nfs/dbraw/zinc/48/18/36/459481836.db2.gz UBVIXDPNMYXCKL-HNNXBMFYSA-N 2 0 336.501 3.055 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302902 459534216 /nfs/dbraw/zinc/53/42/16/459534216.db2.gz PJHXYRYZEYHRMV-DOTOQJQBSA-N 2 0 328.460 3.207 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCCn2ccnc2)CC1 ZINC000574268248 459798589 /nfs/dbraw/zinc/79/85/89/459798589.db2.gz UQHUXTSJSZSZJZ-LJQANCHMSA-N 2 0 340.515 3.349 10 0 EGAERP CC(C)OC[C@H](O)C[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000566118178 459808479 /nfs/dbraw/zinc/80/84/79/459808479.db2.gz XPJJHKJZDCDYEF-IEBWSBKVSA-N 2 0 334.504 3.026 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CC(OCc2ccccc2)C1 ZINC000545918496 459870625 /nfs/dbraw/zinc/87/06/25/459870625.db2.gz IYRCNCYZIOYZMU-UHFFFAOYSA-N 2 0 348.450 3.413 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H](C[NH2+]C1CC[NH+](C(C)C)CC1)CCC2 ZINC000597200249 459874320 /nfs/dbraw/zinc/87/43/20/459874320.db2.gz HSEPHXHDWLGSFL-SFHVURJKSA-N 2 0 344.499 3.356 10 0 EGAERP Cc1ncsc1-c1ccc(C[NH2+]CCCN(C)CC[NH+](C)C)cc1 ZINC000623087425 460407180 /nfs/dbraw/zinc/40/71/80/460407180.db2.gz QUDMDCKKWQPCEQ-UHFFFAOYSA-N 2 0 346.544 3.092 10 0 EGAERP CCOc1cc2c(cc1CN[C@H]1CC[N@H+](C)C(C)(C)C1)O[C@@H](C)C2 ZINC000623342479 460499079 /nfs/dbraw/zinc/49/90/79/460499079.db2.gz BPFWKMMZCZFMSJ-YOEHRIQHSA-N 2 0 332.488 3.371 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CC1(C)C ZINC000623427016 460542407 /nfs/dbraw/zinc/54/24/07/460542407.db2.gz JDIWFEKOAXNECN-LJQANCHMSA-N 2 0 343.515 3.001 10 0 EGAERP O=C(Nc1ccc(CC[NH+]2CCCCC2)cc1)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635403309 460769334 /nfs/dbraw/zinc/76/93/34/460769334.db2.gz IYTXIALYZSJBMX-QZTJIDSGSA-N 2 0 338.455 3.180 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000629518917 460792301 /nfs/dbraw/zinc/79/23/01/460792301.db2.gz COEFXIAOZPMPPD-GOEBONIOSA-N 2 0 342.405 3.439 10 0 EGAERP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc(OC(F)(F)F)cc1 ZINC000629522326 460794310 /nfs/dbraw/zinc/79/43/10/460794310.db2.gz ZWCMMGDRSUYEBJ-AWEZNQCLSA-N 2 0 332.366 3.134 10 0 EGAERP CC[C@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc2cc(OC)ccc2c1 ZINC000629523257 460794844 /nfs/dbraw/zinc/79/48/44/460794844.db2.gz COYLQYKRPYFTRJ-IBGZPJMESA-N 2 0 328.456 3.397 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000629530474 460797284 /nfs/dbraw/zinc/79/72/84/460797284.db2.gz HTXRDQDDLNLPBP-HOTGVXAUSA-N 2 0 330.394 3.167 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccc(F)cc3)sc21 ZINC000629529205 460797914 /nfs/dbraw/zinc/79/79/14/460797914.db2.gz VFJSLSAYAFEOFQ-OAHLLOKOSA-N 2 0 349.475 3.152 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc(Cc3cccc4c3CC[NH2+]C4)n2)cc1 ZINC000629678073 460864169 /nfs/dbraw/zinc/86/41/69/460864169.db2.gz HJUNFYHPQLPVNB-UHFFFAOYSA-N 2 0 348.450 3.035 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CO[C@H](C3CC3)C2)CC1 ZINC000624224099 460917650 /nfs/dbraw/zinc/91/76/50/460917650.db2.gz MNWSWKRMVOSBBF-HBGVWJBISA-N 2 0 328.500 3.239 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@]2(C)CCCS2)CC1 ZINC000628186916 461039792 /nfs/dbraw/zinc/03/97/92/461039792.db2.gz ZPUAHVGFGMENDA-SFHVURJKSA-N 2 0 328.566 3.343 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@H]3C[NH+](C)CC[C@H]32)cc1OC1CC1 ZINC000628280668 461071217 /nfs/dbraw/zinc/07/12/17/461071217.db2.gz BMDRJDRPWYXBRB-FUHWJXTLSA-N 2 0 330.472 3.153 10 0 EGAERP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000668109569 461108775 /nfs/dbraw/zinc/10/87/75/461108775.db2.gz GTTWTLUEQULSDB-ZCNNSNEGSA-N 2 0 328.500 3.444 10 0 EGAERP c1csc(C[NH+](Cc2cccs2)C[C@H]2CCC3(C[NH2+]C3)O2)c1 ZINC000662249005 461142665 /nfs/dbraw/zinc/14/26/65/461142665.db2.gz NDFXXSOZBDTZBV-CQSZACIVSA-N 2 0 334.510 3.333 10 0 EGAERP Clc1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1Cl ZINC000662252510 461143271 /nfs/dbraw/zinc/14/32/71/461143271.db2.gz NMNYROFMLMVZOM-AWEZNQCLSA-N 2 0 341.282 3.479 10 0 EGAERP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360644 461154560 /nfs/dbraw/zinc/15/45/60/461154560.db2.gz NKMZXGPLVMIUIC-NLWGTHIKSA-N 2 0 332.488 3.043 10 0 EGAERP Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@H]([NH3+])CCO1 ZINC000652362733 461155509 /nfs/dbraw/zinc/15/55/09/461155509.db2.gz NQYOURAHMUFFLA-VAMGGRTRSA-N 2 0 346.515 3.433 10 0 EGAERP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293671 461170706 /nfs/dbraw/zinc/17/07/06/461170706.db2.gz HXKCJAUZUYONPD-INIZCTEOSA-N 2 0 347.528 3.059 10 0 EGAERP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1C ZINC000662298710 461177048 /nfs/dbraw/zinc/17/70/48/461177048.db2.gz XFXBWYZUXOFCFA-PKOBYXMFSA-N 2 0 343.515 3.342 10 0 EGAERP Cc1cccc(-c2noc(C[N@H+]3CCC[C@@H](C)[C@H]3CCC[NH3+])n2)c1 ZINC000662316989 461187781 /nfs/dbraw/zinc/18/77/81/461187781.db2.gz YUHJNMPRFLYEOE-NVXWUHKLSA-N 2 0 328.460 3.384 10 0 EGAERP Cc1ccc(OCCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)cc1C ZINC000662322276 461192902 /nfs/dbraw/zinc/19/29/02/461192902.db2.gz LGXZCAKMBNDQOG-HXUWFJFHSA-N 2 0 334.504 3.115 10 0 EGAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000646697065 461374862 /nfs/dbraw/zinc/37/48/62/461374862.db2.gz SSXRTFGVIZKFNF-GBESFXJTSA-N 2 0 331.504 3.224 10 0 EGAERP CC(C)[C@H](O)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000668690113 461384353 /nfs/dbraw/zinc/38/43/53/461384353.db2.gz STOIZNXXYQUYDQ-PMACEKPBSA-N 2 0 336.439 3.115 10 0 EGAERP COc1cc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccn1 ZINC000655779479 461443783 /nfs/dbraw/zinc/44/37/83/461443783.db2.gz MFDOVKYSVXMENE-IPELMVKDSA-N 2 0 325.456 3.086 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000655907733 461529556 /nfs/dbraw/zinc/52/95/56/461529556.db2.gz NGFXYPYFRVTLDO-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP Cc1cc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)on1 ZINC000631084085 461533840 /nfs/dbraw/zinc/53/38/40/461533840.db2.gz RMSQIWPPNPRXPH-UHFFFAOYSA-N 2 0 343.471 3.144 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCc1ccccc1C[NH2+]C)c1ccccc1 ZINC000653214318 461566025 /nfs/dbraw/zinc/56/60/25/461566025.db2.gz PQZUAHJODMQAME-FQEVSTJZSA-N 2 0 339.483 3.105 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCN(c3ccccc3)C2)[C@H](c2ccccc2)C1 ZINC000647248919 461589591 /nfs/dbraw/zinc/58/95/91/461589591.db2.gz OYNKBKQGSNSYQR-URVUXULASA-N 2 0 335.495 3.200 10 0 EGAERP CC(C)C[C@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)c1ccncc1 ZINC000647290036 461614889 /nfs/dbraw/zinc/61/48/89/461614889.db2.gz TZDBDFKGMLSBGR-PXNSSMCTSA-N 2 0 331.504 3.259 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000656200587 461646445 /nfs/dbraw/zinc/64/64/45/461646445.db2.gz AOVUSFVJGCGWJB-CUDHKJQZSA-N 2 0 330.472 3.180 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC23CCSCC3)cc1 ZINC000643294041 461671742 /nfs/dbraw/zinc/67/17/42/461671742.db2.gz GOTGVSQWYRFUCZ-QGZVFWFLSA-N 2 0 334.529 3.250 10 0 EGAERP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480309 461728512 /nfs/dbraw/zinc/72/85/12/461728512.db2.gz JFZUPPNODXCHSC-JBACZVJFSA-N 2 0 344.499 3.208 10 0 EGAERP Cc1noc(C2CCC([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)CC2)n1 ZINC000643466209 461736341 /nfs/dbraw/zinc/73/63/41/461736341.db2.gz CWLGKAOEOJAGDI-YXYCDRMUSA-N 2 0 332.492 3.305 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCO2)cc1 ZINC000656405401 461736478 /nfs/dbraw/zinc/73/64/78/461736478.db2.gz PVVKKVHAZDSPHX-QSUVIHHLSA-N 2 0 326.484 3.008 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000647548799 461761451 /nfs/dbraw/zinc/76/14/51/461761451.db2.gz VAAZWXFTRVZARI-JENIJYKNSA-N 2 0 338.499 3.473 10 0 EGAERP c1ccc(N2CC[C@@H](C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000639337732 461869124 /nfs/dbraw/zinc/86/91/24/461869124.db2.gz OKVPDLVUBLFFGO-PMACEKPBSA-N 2 0 327.516 3.225 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000666953599 461886504 /nfs/dbraw/zinc/88/65/04/461886504.db2.gz BSUNXLTZMVRKDS-ABAIWWIYSA-N 2 0 341.268 3.251 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCC[C@H]([C@H]3C[C@H]([NH3+])CCO3)C2)cc1C ZINC000650706409 461899380 /nfs/dbraw/zinc/89/93/80/461899380.db2.gz JUAWWQZJGWKMTL-IPMKNSEASA-N 2 0 332.488 3.030 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(OC)cc2c1O[C@H](C)C2 ZINC000650718248 461909437 /nfs/dbraw/zinc/90/94/37/461909437.db2.gz DRTOXUIEYQKQIQ-CQSZACIVSA-N 2 0 326.440 3.028 10 0 EGAERP Cc1cc(C(F)(F)F)cc(N2CCC([N@@H+]3CCCOCC3)CC2)n1 ZINC000664009037 461911334 /nfs/dbraw/zinc/91/13/34/461911334.db2.gz QJAYGDXQIIRPKT-UHFFFAOYSA-N 2 0 343.393 3.100 10 0 EGAERP Cc1c([C@H](C)[NH2+]CCC2(C[NH3+])CC2)nnn1-c1ccc(Cl)cc1 ZINC000650744810 461929028 /nfs/dbraw/zinc/92/90/28/461929028.db2.gz WDOZUZQBLOTUNW-LBPRGKRZSA-N 2 0 333.867 3.009 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)c(OC)c1 ZINC000650760057 461940799 /nfs/dbraw/zinc/94/07/99/461940799.db2.gz WEFLTQWKOAOTCU-AWEZNQCLSA-N 2 0 344.455 3.283 10 0 EGAERP CC(C)CCOc1ccc(CN2CCOC3(CC[NH+](C)CC3)C2)cc1 ZINC000648071626 461968378 /nfs/dbraw/zinc/96/83/78/461968378.db2.gz LSQHWHFXWWTULV-UHFFFAOYSA-N 2 0 346.515 3.408 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1 ZINC000657311956 462035826 /nfs/dbraw/zinc/03/58/26/462035826.db2.gz ACGHOVAROIIGMS-QZTJIDSGSA-N 3 0 341.503 3.115 10 0 EGAERP CCCCO[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(C)C ZINC000657387158 462089993 /nfs/dbraw/zinc/08/99/93/462089993.db2.gz RWVQRHMGPIDKRU-QZTJIDSGSA-N 2 0 328.460 3.341 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C1(CC)CC ZINC000657390496 462092173 /nfs/dbraw/zinc/09/21/73/462092173.db2.gz WSDZLEIDSFJWPS-QZTJIDSGSA-N 2 0 328.460 3.341 10 0 EGAERP CC(C)(C)N1CC[C@H]1C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000657524459 462167418 /nfs/dbraw/zinc/16/74/18/462167418.db2.gz OZBARRCTSRQKPD-IBGZPJMESA-N 2 0 345.531 3.124 10 0 EGAERP CCCc1cccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c1 ZINC000657598099 462198734 /nfs/dbraw/zinc/19/87/34/462198734.db2.gz YESYRDHQTMDXHD-JOCHJYFZSA-N 2 0 338.495 3.496 10 0 EGAERP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657597681 462198908 /nfs/dbraw/zinc/19/89/08/462198908.db2.gz WLGZZXYWYWNLBT-IERDGZPVSA-N 2 0 342.458 3.113 10 0 EGAERP c1cc(C[N@H+]2CC[C@@H](COCc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667671734 462204281 /nfs/dbraw/zinc/20/42/81/462204281.db2.gz ZVDMISDXTUXRNI-LJQANCHMSA-N 2 0 348.450 3.306 10 0 EGAERP CCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000648745127 462258196 /nfs/dbraw/zinc/25/81/96/462258196.db2.gz IRUJTZJZJSTOGA-KVPLUYHFSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCO1 ZINC000657771548 462259706 /nfs/dbraw/zinc/25/97/06/462259706.db2.gz CVZPVLRGIPITQM-MISYRCLQSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@H]2CO[C@H](C3CC3)C2)C[N@@H+]1Cc1ccccc1 ZINC000667914462 462319628 /nfs/dbraw/zinc/31/96/28/462319628.db2.gz HVMNIDVKQCKBPT-PLWAMTLXSA-N 2 0 328.500 3.444 10 0 EGAERP C[NH+]1CCC(Oc2ccc(C[NH2+]C3CC(CF)(CF)C3)cc2)CC1 ZINC000658008020 462345643 /nfs/dbraw/zinc/34/56/43/462345643.db2.gz YQNXTGVEEIQUMS-UHFFFAOYSA-N 2 0 338.442 3.337 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658070110 462367113 /nfs/dbraw/zinc/36/71/13/462367113.db2.gz UTNZPXFSOKAXJC-QGZVFWFLSA-N 2 0 346.515 3.107 10 0 EGAERP COc1ccc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1Cl ZINC000658106329 462386461 /nfs/dbraw/zinc/38/64/61/462386461.db2.gz BNYKKALROLGEAJ-LSDHHAIUSA-N 2 0 341.927 3.271 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCc4c3cccc4F)cc2)C1 ZINC000658143126 462404556 /nfs/dbraw/zinc/40/45/56/462404556.db2.gz WSZXKIPRODJPJI-UWJYYQICSA-N 2 0 340.442 3.169 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4cc(F)ccc43)cc2)C1 ZINC000658142194 462405366 /nfs/dbraw/zinc/40/53/66/462405366.db2.gz VDCDQPPRVIWVFR-PZJWPPBQSA-N 2 0 340.442 3.169 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142169 462405597 /nfs/dbraw/zinc/40/55/97/462405597.db2.gz YYZHSOAEUZEZJW-XJKSGUPXSA-N 2 0 326.431 3.023 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCc4ccc(F)cc43)cc2)C1 ZINC000658142712 462405618 /nfs/dbraw/zinc/40/56/18/462405618.db2.gz WDVLGFTYMHKIHZ-PZJWPPBQSA-N 2 0 340.442 3.169 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316828 462473854 /nfs/dbraw/zinc/47/38/54/462473854.db2.gz HKSZLBBBOLEEDM-RTBURBONSA-N 2 0 328.500 3.446 10 0 EGAERP CCN(C(=O)CCC(C)(C)[NH3+])[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000649305787 462474759 /nfs/dbraw/zinc/47/47/59/462474759.db2.gz ARUBBNMTQXTXGL-SJLPKXTDSA-N 2 0 331.504 3.188 10 0 EGAERP C[C@@H](O)[C@H]([NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1)c1ccccc1 ZINC000658360286 462490093 /nfs/dbraw/zinc/49/00/93/462490093.db2.gz HSHBVRAEIVAFBV-FVJLSDCUSA-N 2 0 342.483 3.400 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1)C(C)C ZINC000649372649 462491027 /nfs/dbraw/zinc/49/10/27/462491027.db2.gz FCODNKVEMDDJNS-LJQANCHMSA-N 2 0 343.515 3.321 10 0 EGAERP CCN(CC)C(=O)C[C@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000170676783 528035032 /nfs/dbraw/zinc/03/50/32/528035032.db2.gz WOGQICDMYVOJLF-KRWDZBQOSA-N 2 0 331.504 3.019 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000353458613 535612325 /nfs/dbraw/zinc/61/23/25/535612325.db2.gz CYPLKNHOWMPCPB-NJYVYQBISA-N 3 0 329.532 3.491 10 0 EGAERP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(OCC[NH+]3CCCC3)cc2)CCN1C ZINC000093645045 546686520 /nfs/dbraw/zinc/68/65/20/546686520.db2.gz YVWGNEWGSUPQPX-QUCCMNQESA-N 2 0 345.531 3.076 10 0 EGAERP C[C@H]1C[NH+](CCCC[NH2+]Cc2cccc3cnccc32)C[C@H](C)O1 ZINC000181505901 547068986 /nfs/dbraw/zinc/06/89/86/547068986.db2.gz DJJSBLZENQRTRD-IRXDYDNUSA-N 2 0 327.472 3.214 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000383697007 547821465 /nfs/dbraw/zinc/82/14/65/547821465.db2.gz ROXMITOBUIGQHZ-WRTQPQOASA-N 2 0 328.500 3.444 10 0 EGAERP CC(C)[C@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000679768901 549774254 /nfs/dbraw/zinc/77/42/54/549774254.db2.gz WNSZJZSXDQZZKL-SFHVURJKSA-N 2 0 339.474 3.278 10 0 EGAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000680145066 549827173 /nfs/dbraw/zinc/82/71/73/549827173.db2.gz QEJMIIOCIYXMJO-PCCBWWKXSA-N 2 0 336.483 3.175 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)C1 ZINC000684367943 550320242 /nfs/dbraw/zinc/32/02/42/550320242.db2.gz JECNJCMDUMDUKB-IDPBPBMLSA-N 2 0 346.515 3.343 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CCC[C@@H](OC)C2)cc1 ZINC000684370275 550320606 /nfs/dbraw/zinc/32/06/06/550320606.db2.gz RLRTZFJULFLDSV-AZUAARDMSA-N 2 0 334.504 3.454 10 0 EGAERP c1cc(-c2ccc(N3CC[NH2+]CC3)nc2)ccc1C[NH+]1CCCCC1 ZINC000204321013 574700540 /nfs/dbraw/zinc/70/05/40/574700540.db2.gz QNMNAHZGKHVCPQ-UHFFFAOYSA-N 2 0 336.483 3.144 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](CC(F)(F)F)C2)cc1 ZINC000683721021 576190592 /nfs/dbraw/zinc/19/05/92/576190592.db2.gz NYBZQLBZAGERNP-HNNXBMFYSA-N 2 0 330.394 3.401 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]C[C@@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000129950690 1293639970 /nfs/dbraw/zinc/63/99/70/1293639970.db2.gz ZEVKNEYRUHVYAL-INIZCTEOSA-N 2 0 339.524 3.096 10 0 EGAERP FC(F)(F)COc1cccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000237696514 1296259088 /nfs/dbraw/zinc/25/90/88/1296259088.db2.gz CKXZVLHHTPKBTR-AWEZNQCLSA-N 2 0 328.378 3.202 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H]2CCCCc3ccccc3C2)CC1 ZINC000872023793 1296665037 /nfs/dbraw/zinc/66/50/37/1296665037.db2.gz VPOONYKHECFEEK-QFIPXVFZSA-N 2 0 343.559 3.331 10 0 EGAERP CC[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)[C@@H]1CCCOC1 ZINC000872084016 1296723870 /nfs/dbraw/zinc/72/38/70/1296723870.db2.gz CMZVJERTJRJAIT-WOJBJXKFSA-N 2 0 331.504 3.088 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(O)c1F ZINC000872085078 1296726206 /nfs/dbraw/zinc/72/62/06/1296726206.db2.gz NIUFXHLPARFYHU-CQSZACIVSA-N 2 0 336.451 3.073 10 0 EGAERP C[C@@H]1CCN(C(=O)C[N@H+](C)CCCCCC[NH3+])c2ccccc2S1 ZINC000872155648 1296772837 /nfs/dbraw/zinc/77/28/37/1296772837.db2.gz XMCYWMJJAVVWMX-MRXNPFEDSA-N 2 0 349.544 3.355 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CCC(=O)N[C@H]1CCCc2ccccc21 ZINC000872155295 1296773245 /nfs/dbraw/zinc/77/32/45/1296773245.db2.gz QTEMCWJHHHHMBL-IBGZPJMESA-N 2 0 331.504 3.021 10 0 EGAERP C[C@@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155188 1296773526 /nfs/dbraw/zinc/77/35/26/1296773526.db2.gz GMLHRFZHBFGAAT-HNNXBMFYSA-N 2 0 339.911 3.310 10 0 EGAERP [NH3+]CCN(Cc1ccccc1)C1CC[NH+](CCc2ccccc2)CC1 ZINC000305826383 1297057616 /nfs/dbraw/zinc/05/76/16/1297057616.db2.gz RRKFNUNURMQQAB-UHFFFAOYSA-N 2 0 337.511 3.154 10 0 EGAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310105078 1297090046 /nfs/dbraw/zinc/09/00/46/1297090046.db2.gz ZUZZKKLRCJAINX-WVVQBRDUSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CCCC[C@@H](C[NH3+])C1 ZINC000388476682 1297602109 /nfs/dbraw/zinc/60/21/09/1297602109.db2.gz RZHWVULMNLNGNE-HIFRSBDPSA-N 2 0 325.294 3.441 10 0 EGAERP CN(C[C@H]([NH3+])Cc1ccccc1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388348713 1297602530 /nfs/dbraw/zinc/60/25/30/1297602530.db2.gz PFPLSGYEAKOILR-FGZHOGPDSA-N 2 0 337.511 3.153 10 0 EGAERP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)CC[N@@H+]1Cc1ccccc1 ZINC000396657331 1297690815 /nfs/dbraw/zinc/69/08/15/1297690815.db2.gz WUXFHUITZDHTFW-SFHVURJKSA-N 2 0 335.495 3.039 10 0 EGAERP C(CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879563957 1300604636 /nfs/dbraw/zinc/60/46/36/1300604636.db2.gz WURZTMHFRZMCKL-TVFCKZIOSA-N 2 0 340.602 3.136 10 0 EGAERP C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783396 1309069628 /nfs/dbraw/zinc/06/96/28/1309069628.db2.gz SZUBALMNONPXJR-HIFRSBDPSA-N 2 0 338.517 3.475 10 0 EGAERP COC(=O)c1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)[nH]c1C(C)C ZINC000895352876 1309295635 /nfs/dbraw/zinc/29/56/35/1309295635.db2.gz SFGLJQRYFPRNFD-UHFFFAOYSA-N 2 0 347.503 3.136 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cn(C)nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895556575 1309400737 /nfs/dbraw/zinc/40/07/37/1309400737.db2.gz KQPFGSGIAZSUGN-QGZVFWFLSA-N 2 0 347.466 3.193 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000895846578 1309555060 /nfs/dbraw/zinc/55/50/60/1309555060.db2.gz QOLINTRCGUOZAB-CTNGQTDRSA-N 2 0 344.499 3.162 10 0 EGAERP CC(C)C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+][C@H](C)c1ccccc1 ZINC000896296021 1309792067 /nfs/dbraw/zinc/79/20/67/1309792067.db2.gz VVIPENWGKNXCMY-WSTZPKSXSA-N 2 0 345.531 3.210 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@H]4CO[C@H](C5CC5)C4)C[C@@H]3C2)cc1 ZINC000898519633 1310774873 /nfs/dbraw/zinc/77/48/73/1310774873.db2.gz PYWOCXORDUPICM-POHUPDAJSA-N 2 0 340.511 3.444 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110690 1328685380 /nfs/dbraw/zinc/68/53/80/1328685380.db2.gz YCRUXRLAOXNTJD-SWLSCSKDSA-N 2 0 330.394 3.201 10 0 EGAERP Cc1cc(C)c(N2CC[C@@H](N[C@H]3CC[N@@H+](C)C(C)(C)C3)C2=O)c(C)c1 ZINC000858159705 1328699243 /nfs/dbraw/zinc/69/92/43/1328699243.db2.gz CDXASKZBGNSVMW-ZWKOTPCHSA-N 2 0 343.515 3.180 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(N2CCOC2=O)c1 ZINC000858533896 1328790563 /nfs/dbraw/zinc/79/05/63/1328790563.db2.gz YDBIGJCBRNKKKR-HNAYVOBHSA-N 2 0 343.471 3.311 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC(C)([NH+](C)C)CC2)cc1 ZINC000913399359 1319027722 /nfs/dbraw/zinc/02/77/22/1319027722.db2.gz ZPHDWXKWIUSKAM-UHFFFAOYSA-N 2 0 345.531 3.475 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+]Cc2ccnn2C2CCC2)cc1 ZINC000921670961 1322376051 /nfs/dbraw/zinc/37/60/51/1322376051.db2.gz JWYIYLCNBGFLFZ-UHFFFAOYSA-N 2 0 342.487 3.228 10 0 EGAERP CC(C)(C)OC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000922178772 1322472630 /nfs/dbraw/zinc/47/26/30/1322472630.db2.gz QXSLUAJNGNCKIY-GOEBONIOSA-N 2 0 344.459 3.117 10 0 EGAERP COCCOc1ccccc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922846290 1322631856 /nfs/dbraw/zinc/63/18/56/1322631856.db2.gz BGUKNCFYVWFIHC-UHFFFAOYSA-N 2 0 332.488 3.208 10 0 EGAERP CC[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1[NH3+] ZINC000923346269 1322738751 /nfs/dbraw/zinc/73/87/51/1322738751.db2.gz WMAJTMZHTZLHFR-MKVSYHDVSA-N 2 0 342.405 3.228 10 0 EGAERP C(CC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)C[NH+]1CCCC1 ZINC000923371721 1322742507 /nfs/dbraw/zinc/74/25/07/1322742507.db2.gz SPOGDFRROUNNBK-SEJPIABJSA-N 3 0 333.564 3.495 10 0 EGAERP CC(=O)c1c(C)cc(C)c(C[NH+]2CCC3(CO[C@H](C[NH3+])C3)CC2)c1C ZINC000923455377 1322754279 /nfs/dbraw/zinc/75/42/79/1322754279.db2.gz LIEQKLPMSQJFAB-SFHVURJKSA-N 2 0 344.499 3.144 10 0 EGAERP C[C@@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498112 1322762863 /nfs/dbraw/zinc/76/28/63/1322762863.db2.gz JIHDZEZETQMZHB-MBNYWOFBSA-N 2 0 334.851 3.368 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1)CN1CC[NH+](C)CC1 ZINC000924954022 1323227680 /nfs/dbraw/zinc/22/76/80/1323227680.db2.gz SQYICOMKDZRFJN-OLZOCXBDSA-N 2 0 349.466 3.301 10 0 EGAERP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccnn1CC1CCC1 ZINC000925439572 1325150398 /nfs/dbraw/zinc/15/03/98/1325150398.db2.gz MTXMWYBEERQBHU-KSZLIROESA-N 2 0 348.535 3.223 10 0 EGAERP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccc(F)cc1 ZINC000925480526 1325168947 /nfs/dbraw/zinc/16/89/47/1325168947.db2.gz FVNGIAUVQNKQSA-SLFFLAALSA-N 2 0 333.495 3.186 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925487831 1325174420 /nfs/dbraw/zinc/17/44/20/1325174420.db2.gz XORGSFHPWJXGOC-ARKSPBFVSA-N 2 0 349.469 3.157 10 0 EGAERP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500493 1325179590 /nfs/dbraw/zinc/17/95/90/1325179590.db2.gz CYLQJWLIMOYAQM-AOIWGVFYSA-N 2 0 345.531 3.328 10 0 EGAERP CC(C)C(=O)Nc1ccc(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)cc1 ZINC000925512693 1325185389 /nfs/dbraw/zinc/18/53/89/1325185389.db2.gz ALZNGXCHDHAHIY-SQNIBIBYSA-N 2 0 329.488 3.147 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)C1 ZINC000925529836 1325192327 /nfs/dbraw/zinc/19/23/27/1325192327.db2.gz IBAMUBREYDQHQO-LSDHHAIUSA-N 2 0 335.458 3.146 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000925543034 1325200719 /nfs/dbraw/zinc/20/07/19/1325200719.db2.gz KKVHFZFNEUCARO-UYAOXDASSA-N 2 0 329.532 3.189 10 0 EGAERP C[C@H](Cc1ccc(F)c(Br)c1)[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2 ZINC000925584036 1325220574 /nfs/dbraw/zinc/22/05/74/1325220574.db2.gz OWCVXJZYJBWENB-VCTAVGKDSA-N 2 0 341.268 3.379 10 0 EGAERP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925600373 1325228558 /nfs/dbraw/zinc/22/85/58/1325228558.db2.gz VNUSWSZIAFWBPB-CVEARBPZSA-N 2 0 333.545 3.322 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000925605291 1325230109 /nfs/dbraw/zinc/23/01/09/1325230109.db2.gz DYDPMIUHCBFMBL-OALUTQOASA-N 2 0 346.515 3.378 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H](O)c1c(F)cccc1Cl ZINC000925619065 1325232417 /nfs/dbraw/zinc/23/24/17/1325232417.db2.gz KUTCKSYXAWNYLG-OVZMXSCWSA-N 2 0 328.859 3.397 10 0 EGAERP C[C@@H](C[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nc(-c2ccccc2)no1 ZINC000925630289 1325239831 /nfs/dbraw/zinc/23/98/31/1325239831.db2.gz QNLYLBZHBCJSSA-PQEBFOHHSA-N 2 0 340.471 3.206 10 0 EGAERP C[C@H](O)[C@](C)(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925659533 1325253751 /nfs/dbraw/zinc/25/37/51/1325253751.db2.gz WAHJYWNJGOJTKO-MQGJPIDWSA-N 2 0 344.543 3.374 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H](c2cncc(Br)c2)C2CC2)C12CCC2 ZINC000925665358 1325254523 /nfs/dbraw/zinc/25/45/23/1325254523.db2.gz DPQCJKHGQYFKDW-RBSFLKMASA-N 2 0 336.277 3.155 10 0 EGAERP COc1ccc(-c2cc(C[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)on2)cc1 ZINC000925710014 1325267710 /nfs/dbraw/zinc/26/77/10/1325267710.db2.gz PVQPMFUYWUIDJT-GJZGRUSLSA-N 2 0 329.444 3.346 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925723441 1325270996 /nfs/dbraw/zinc/27/09/96/1325270996.db2.gz VPYBDBQQUWIUET-VQTJNVASSA-N 3 0 327.516 3.148 10 0 EGAERP Cc1nc(-c2cccnc2)sc1[C@@H](C)[NH2+]CC[C@@H]1C[NH2+]C[C@H]1C ZINC000925799176 1325306370 /nfs/dbraw/zinc/30/63/70/1325306370.db2.gz NIQYBMIJCQVJNM-UMVBOHGHSA-N 2 0 330.501 3.410 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806862 1325309227 /nfs/dbraw/zinc/30/92/27/1325309227.db2.gz BSAWTYNOHFWVBJ-VGSWGCGISA-N 2 0 335.495 3.115 10 0 EGAERP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)s1 ZINC000925808547 1325310425 /nfs/dbraw/zinc/31/04/25/1325310425.db2.gz MEBIIGCWFRGKOI-CQSZACIVSA-N 2 0 344.528 3.016 10 0 EGAERP C[C@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925809017 1325311025 /nfs/dbraw/zinc/31/10/25/1325311025.db2.gz GWSZLIRFIFXNMJ-CQSZACIVSA-N 2 0 343.437 3.039 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H](Cc2ccccc2F)c2ccccc2)CC1 ZINC000925813240 1325312134 /nfs/dbraw/zinc/31/21/34/1325312134.db2.gz UAXHBGRQDCFPHT-NRFANRHFSA-N 2 0 341.474 3.122 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)O1 ZINC000925834267 1325320900 /nfs/dbraw/zinc/32/09/00/1325320900.db2.gz MEIYZFIIZJNOBX-QCODTGAPSA-N 2 0 334.426 3.387 10 0 EGAERP Cc1c2ccccc2oc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846444 1325327008 /nfs/dbraw/zinc/32/70/08/1325327008.db2.gz SRYFODNRHVIONX-KRWDZBQOSA-N 2 0 329.488 3.467 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(OC(F)F)cc1 ZINC000925848155 1325327978 /nfs/dbraw/zinc/32/79/78/1325327978.db2.gz BAIHBXJNJJJQQZ-OAHLLOKOSA-N 2 0 341.446 3.014 10 0 EGAERP CCSc1ccccc1[C@@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850043 1325329475 /nfs/dbraw/zinc/32/94/75/1325329475.db2.gz GTDPABUKEFPTOZ-CABCVRRESA-N 2 0 348.512 3.135 10 0 EGAERP CC1(C)CC[C@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925850435 1325329808 /nfs/dbraw/zinc/32/98/08/1325329808.db2.gz OQECALZMECYLMY-YJBOKZPZSA-N 2 0 342.483 3.074 10 0 EGAERP Cc1ccc([C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858509 1325332715 /nfs/dbraw/zinc/33/27/15/1325332715.db2.gz UIHJZQSLXBZCEE-AEFFLSMTSA-N 2 0 346.471 3.094 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000925880158 1325340566 /nfs/dbraw/zinc/34/05/66/1325340566.db2.gz PBJREIUKNQYNMU-IMSIIYSGSA-N 2 0 327.241 3.293 10 0 EGAERP Cc1c([C@@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cnn1C(C)C ZINC000925887234 1325344420 /nfs/dbraw/zinc/34/44/20/1325344420.db2.gz VWOBHGIOPLHYKL-ZTNFWEORSA-N 2 0 326.488 3.482 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CC2(C[NH+](C)C)CCCC2)n(C)n1 ZINC000926168995 1325455491 /nfs/dbraw/zinc/45/54/91/1325455491.db2.gz CDIXJSXZTMDGLR-IEBWSBKVSA-N 2 0 332.536 3.151 10 0 EGAERP CSC1(C[NH2+][C@@H]2COCc3cccc(Cl)c32)CC[NH+](C)CC1 ZINC000926449962 1325559876 /nfs/dbraw/zinc/55/98/76/1325559876.db2.gz YONDRLKFGZXDLF-OAHLLOKOSA-N 2 0 340.920 3.328 10 0 EGAERP c1ccc([C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CCC2)nc1 ZINC000926676483 1327662193 /nfs/dbraw/zinc/66/21/93/1327662193.db2.gz MIWVWMMTNCCLOA-NRFANRHFSA-N 2 0 343.515 3.403 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)CC2)ccn1 ZINC000926692697 1327670809 /nfs/dbraw/zinc/67/08/09/1327670809.db2.gz IWDDMSNAQZHKMT-RTWAWAEBSA-N 2 0 343.515 3.088 10 0 EGAERP CC[C@@H](C[C@](C)(O)CC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693776 1327670827 /nfs/dbraw/zinc/67/08/27/1327670827.db2.gz PXILMCZQKMFEFO-VQTJNVASSA-N 2 0 333.520 3.213 10 0 EGAERP C[C@H]([NH2+]C[C@@]1(c2ccccc2)C[C@@H](O)C1)c1cccc(C[NH+](C)C)c1 ZINC000926890139 1327759506 /nfs/dbraw/zinc/75/95/06/1327759506.db2.gz RFYXXPYEOPULMI-HSQYWUDLSA-N 2 0 338.495 3.492 10 0 EGAERP [NH3+]CCCCCC[N@@H+]1CC[C@@H](O)[C@H]1c1ccc(Br)cc1 ZINC000863564200 1329563642 /nfs/dbraw/zinc/56/36/42/1329563642.db2.gz TZJGMKSFNYJHIM-HZPDHXFCSA-N 2 0 341.293 3.076 10 0 EGAERP COc1cc(OC)c(OC)cc1C[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000865765591 1329736532 /nfs/dbraw/zinc/73/65/32/1329736532.db2.gz BSWVCZUWQDCOLR-UHFFFAOYSA-N 2 0 336.476 3.065 10 0 EGAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000866515832 1330120673 /nfs/dbraw/zinc/12/06/73/1330120673.db2.gz JQMJCZIAHNXBDK-HCEZTOJASA-N 2 0 346.462 3.206 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1CC ZINC001323147988 1387303012 /nfs/dbraw/zinc/30/30/12/1387303012.db2.gz IPASJDNATORLOE-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+](C)C)C1 ZINC001323642520 1387415954 /nfs/dbraw/zinc/41/59/54/1387415954.db2.gz NHBRJYJVVDTJMN-MNVMYWNISA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001323860703 1387481724 /nfs/dbraw/zinc/48/17/24/1387481724.db2.gz UKFRUWGVJHTXLM-BVUSGXHMSA-N 2 0 349.563 3.243 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)CC1 ZINC001324090958 1387537996 /nfs/dbraw/zinc/53/79/96/1387537996.db2.gz SBYWRAGLBYFFJR-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1)[NH+](CC)CC ZINC001324224685 1387561720 /nfs/dbraw/zinc/56/17/20/1387561720.db2.gz DMTWQTAZADTNNH-RBUKOAKNSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001324752151 1387760231 /nfs/dbraw/zinc/76/02/31/1387760231.db2.gz OYLFYYPDUWEOHH-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](O)CC[N@@H+]1CC[C@@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358899 1367483586 /nfs/dbraw/zinc/48/35/86/1367483586.db2.gz QZFCLBIRBHQBRD-LEWJYISDSA-N 2 0 330.516 3.382 10 0 EGAERP C[C@H]1C[N@H+](C[C@H](O)c2cccc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001197368933 1368799814 /nfs/dbraw/zinc/79/98/14/1368799814.db2.gz PLHYBIUXOMACLN-JTSKRJEESA-N 2 0 347.462 3.479 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3CCC(C)(C)C)C1 ZINC001325628273 1388014339 /nfs/dbraw/zinc/01/43/39/1388014339.db2.gz BCXDYTRYPHUDBB-OKYOBFRVSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](C)C ZINC001325628905 1388015083 /nfs/dbraw/zinc/01/50/83/1388015083.db2.gz GNEIJVAVGCSJKV-YRPNKDGESA-N 2 0 347.547 3.186 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]3[C@H]2CC[NH+]3CCCC(C)(C)C)C1 ZINC001325921019 1388085502 /nfs/dbraw/zinc/08/55/02/1388085502.db2.gz NDRRNXNDFHNMEY-CEXWTWQISA-N 2 0 349.563 3.220 10 0 EGAERP Cc1c[nH+]c2ccccc2c1N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001118597540 1371204239 /nfs/dbraw/zinc/20/42/39/1371204239.db2.gz ZSSZTODJHHZYMM-UHFFFAOYSA-N 2 0 325.456 3.234 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001326307054 1388149004 /nfs/dbraw/zinc/14/90/04/1388149004.db2.gz YRHZWQPYPKJKGW-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2CCCC[C@H]2[NH3+])CC1 ZINC001326370827 1388169160 /nfs/dbraw/zinc/16/91/60/1388169160.db2.gz JERQALZZEXDEOM-NZSAHSFTSA-N 2 0 335.536 3.007 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001327146145 1388404577 /nfs/dbraw/zinc/40/45/77/1388404577.db2.gz IPXGPZMYTNUCSJ-VXOKQSJXSA-N 2 0 337.552 3.290 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001327157807 1388413394 /nfs/dbraw/zinc/41/33/94/1388413394.db2.gz VCNVLDFELBZECV-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001327164798 1388417752 /nfs/dbraw/zinc/41/77/52/1388417752.db2.gz WLYRGDBZSCCZEA-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001327172661 1388421346 /nfs/dbraw/zinc/42/13/46/1388421346.db2.gz LWONUJSKHFZEPP-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(CC)cc2)[C@@H]1C ZINC001264169877 1377140367 /nfs/dbraw/zinc/14/03/67/1377140367.db2.gz ZFILHNSNKXIYAG-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCC1 ZINC001265136923 1377149576 /nfs/dbraw/zinc/14/95/76/1377149576.db2.gz KFXXCHWPUSSORU-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001265167740 1377151108 /nfs/dbraw/zinc/15/11/08/1377151108.db2.gz ZQWNBPCARPKSMB-OAHLLOKOSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]CCC2=CCCCC2)CC[N@@H+]1C ZINC001266145682 1377207093 /nfs/dbraw/zinc/20/70/93/1377207093.db2.gz AUGVVCYDDIUIPV-NZSAHSFTSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC(C)(C)C ZINC001266204053 1377227389 /nfs/dbraw/zinc/22/73/89/1377227389.db2.gz PGASWGBPZJHPCW-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCC1CCCCC1 ZINC001266467954 1377314008 /nfs/dbraw/zinc/31/40/08/1377314008.db2.gz HARLNXMVDUCXRS-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266614216 1377344096 /nfs/dbraw/zinc/34/40/96/1377344096.db2.gz XGJVIGGNHDRTEF-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP CC[C@H](C(=O)N(C)CC[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001266741481 1377371412 /nfs/dbraw/zinc/37/14/12/1377371412.db2.gz WAKPFTAELBXDDF-HXUWFJFHSA-N 2 0 341.499 3.036 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001267182292 1377428031 /nfs/dbraw/zinc/42/80/31/1377428031.db2.gz YQDZMBNETBEHDS-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CC1=CCCCC1 ZINC001267182214 1377428271 /nfs/dbraw/zinc/42/82/71/1377428271.db2.gz WYWAITFYGNSXNY-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001267807472 1377470740 /nfs/dbraw/zinc/47/07/40/1377470740.db2.gz XFYVWZULAOEETK-WOJBJXKFSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(NC(=O)C[NH+]2CCC(C)CC2)CCCC[C@@H]1C ZINC001267873870 1377476063 /nfs/dbraw/zinc/47/60/63/1377476063.db2.gz MRGWDWOFFZZYHD-PZJWPPBQSA-N 2 0 349.563 3.339 10 0 EGAERP CCN(C(=O)[C@@H](CC(C)C)n1ccnc1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001269331929 1377550896 /nfs/dbraw/zinc/55/08/96/1377550896.db2.gz PKVODUNPKLCCKM-RTBURBONSA-N 2 0 346.519 3.193 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001269447480 1377554394 /nfs/dbraw/zinc/55/43/94/1377554394.db2.gz CADIAEDFJDAHKJ-XGCMIMOYSA-N 2 0 343.515 3.059 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCCC2)CC[N@@H+]1C ZINC001270966603 1377619992 /nfs/dbraw/zinc/61/99/92/1377619992.db2.gz DOOBVJCGLFRTDL-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c1 ZINC001272152604 1377658398 /nfs/dbraw/zinc/65/83/98/1377658398.db2.gz YVOBOABMXUQNON-VQTJNVASSA-N 2 0 345.531 3.006 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275768383 1378156226 /nfs/dbraw/zinc/15/62/26/1378156226.db2.gz OFVBWLUJEOHXCM-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC(C)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001277209873 1378210774 /nfs/dbraw/zinc/21/07/74/1378210774.db2.gz HPIPGQYFBXGFBA-ADKAHSJRSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001277346909 1378218462 /nfs/dbraw/zinc/21/84/62/1378218462.db2.gz YSXSXNMEXAYQCE-QRVBRYPASA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1CCC[N@@H+]1CC(C)C)C(C)(C)C ZINC001278979360 1378294826 /nfs/dbraw/zinc/29/48/26/1378294826.db2.gz ZALHALICOVGUAN-QZTJIDSGSA-N 2 0 339.568 3.273 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C1CC[NH+](C)CC1 ZINC001282647014 1378521253 /nfs/dbraw/zinc/52/12/53/1378521253.db2.gz GUHJTBPGJSQWSC-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CC(CC)CC)C2)C1 ZINC001327542602 1388556686 /nfs/dbraw/zinc/55/66/86/1388556686.db2.gz XQCSKKATMMIBSH-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001282977542 1378695128 /nfs/dbraw/zinc/69/51/28/1378695128.db2.gz JZCYRHMNUXTSSV-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001283344479 1378829610 /nfs/dbraw/zinc/82/96/10/1378829610.db2.gz RUHKSJUYVNLLPK-KRWDZBQOSA-N 2 0 331.504 3.011 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001283349716 1378834820 /nfs/dbraw/zinc/83/48/20/1378834820.db2.gz BPBOWFIMGNAQPX-IBGZPJMESA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C3CCC3)cc2C1 ZINC001327685182 1388581494 /nfs/dbraw/zinc/58/14/94/1388581494.db2.gz KWXBPTVDGTWMNB-UHFFFAOYSA-N 2 0 343.515 3.149 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001283617986 1379056231 /nfs/dbraw/zinc/05/62/31/1379056231.db2.gz OIXAWGOYBLMBAA-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001283677442 1379105702 /nfs/dbraw/zinc/10/57/02/1379105702.db2.gz KTQHLXACZWRAOW-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)[N@H+](C)Cc1ccccc1 ZINC001149140445 1379333035 /nfs/dbraw/zinc/33/30/35/1379333035.db2.gz VWTSWEKHZDJTEK-YZGWKJHDSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCCC[NH+](C)C ZINC001284024924 1379373523 /nfs/dbraw/zinc/37/35/23/1379373523.db2.gz FPVQWVZJIMQHMX-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001284088130 1379454598 /nfs/dbraw/zinc/45/45/98/1379454598.db2.gz UGUWYEPMFGQXPO-CEXWTWQISA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CCCCC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC001151359503 1379705188 /nfs/dbraw/zinc/70/51/88/1379705188.db2.gz NZQOLTXSVJFWEO-WOJBJXKFSA-N 2 0 345.531 3.134 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCCCC2)CC1 ZINC001327971057 1388636611 /nfs/dbraw/zinc/63/66/11/1388636611.db2.gz WVCURXQUVZXCJM-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C(C)(C)C ZINC001284604613 1380004530 /nfs/dbraw/zinc/00/45/30/1380004530.db2.gz RTGVVAXKZJPHCY-KRWDZBQOSA-N 2 0 330.476 3.177 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001284684045 1380094090 /nfs/dbraw/zinc/09/40/90/1380094090.db2.gz KCPAUSPQASYQTF-CWHLKURSSA-N 2 0 349.563 3.432 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001284724330 1380145188 /nfs/dbraw/zinc/14/51/88/1380145188.db2.gz VHYBPIQEFFYPQI-MGBKSAOESA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001284725730 1380146309 /nfs/dbraw/zinc/14/63/09/1380146309.db2.gz DJXOXCFCSCVXBH-PKOBYXMFSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001284765136 1380189100 /nfs/dbraw/zinc/18/91/00/1380189100.db2.gz PGFLRBCITINXIJ-LPSYBHCKSA-N 2 0 335.536 3.042 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001328112209 1388676385 /nfs/dbraw/zinc/67/63/85/1388676385.db2.gz CGTUMWJRJWITQJ-HKUYNNGSSA-N 2 0 345.531 3.305 10 0 EGAERP CC[C@@H](CC(=O)N(CC[NH+](C)C)C[C@@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC001292582851 1382204345 /nfs/dbraw/zinc/20/43/45/1382204345.db2.gz POMRXZJEWIUCTK-ROUUACIJSA-N 2 0 339.568 3.323 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC(C)C ZINC001328736245 1388833840 /nfs/dbraw/zinc/83/38/40/1388833840.db2.gz HYGLUFKGWZHDNB-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001298899592 1383442960 /nfs/dbraw/zinc/44/29/60/1383442960.db2.gz XAQAADCPGVFXCJ-OALUTQOASA-N 2 0 335.536 3.118 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001328781405 1388859221 /nfs/dbraw/zinc/85/92/21/1388859221.db2.gz SKJQLJQPRIKHKS-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001167393478 1383621209 /nfs/dbraw/zinc/62/12/09/1383621209.db2.gz TZDOXQWCHODJNE-IAGOWNOFSA-N 2 0 347.503 3.210 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N1C[C@H](C)[N@H+](Cc2ccccc2)[C@H](C)[C@H]1C ZINC001300230498 1383654389 /nfs/dbraw/zinc/65/43/89/1383654389.db2.gz ZOBWCPKMYQSFSN-FCGDIQPGSA-N 2 0 345.531 3.084 10 0 EGAERP CN(C[C@H]1CCN1Cc1ccsc1)C(=O)CCC[NH+]1CCCCC1 ZINC001316609465 1384478925 /nfs/dbraw/zinc/47/89/25/1384478925.db2.gz MCSRAYSODKUFHP-GOSISDBHSA-N 2 0 349.544 3.047 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)cc2C)C1)[NH+](C)C ZINC001316663898 1384510626 /nfs/dbraw/zinc/51/06/26/1384510626.db2.gz KDYLXRSGBOLOBL-SXLOBPIMSA-N 2 0 345.531 3.018 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CC3)C(C)(C)[C@@H]21 ZINC001316725361 1384545870 /nfs/dbraw/zinc/54/58/70/1384545870.db2.gz YKGHLCFXARJWFI-KZNAEPCWSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1)CC(C)(C)C ZINC001316772883 1384571177 /nfs/dbraw/zinc/57/11/77/1384571177.db2.gz LWBZDKCGMLHEKJ-YHWKNFMLSA-N 2 0 343.943 3.078 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001316774054 1384572628 /nfs/dbraw/zinc/57/26/28/1384572628.db2.gz IQSPRLXOBQPZHX-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316774259 1384573159 /nfs/dbraw/zinc/57/31/59/1384573159.db2.gz QAXAPVBOPOGWCT-RRFGBZISSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1cccc(F)c1 ZINC001316774922 1384573494 /nfs/dbraw/zinc/57/34/94/1384573494.db2.gz WCVZLSXDYYSGEX-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[NH2+][C@H]1CCCCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001316775610 1384574763 /nfs/dbraw/zinc/57/47/63/1384574763.db2.gz SORDUCGDTREOIM-SFHVURJKSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2F)[C@@H]1C)[NH+](CC)CC ZINC001316793222 1384586292 /nfs/dbraw/zinc/58/62/92/1384586292.db2.gz SYBWDQCUHBUJLH-MNEFBYGVSA-N 2 0 349.494 3.025 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001316802143 1384590312 /nfs/dbraw/zinc/59/03/12/1384590312.db2.gz FLMFSCBXBQSVDQ-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C/C=C/Cl)[NH+](CC)CC ZINC001316804440 1384593755 /nfs/dbraw/zinc/59/37/55/1384593755.db2.gz LCNBRVMQCNTLDY-QHLFFQLOSA-N 2 0 343.943 3.172 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[N@H+](CC2CCCC2)CC(C)(C)C1 ZINC001316810815 1384606875 /nfs/dbraw/zinc/60/68/75/1384606875.db2.gz IZHLRSQDTHOACF-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc([C@@H](C)[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001316825848 1384619670 /nfs/dbraw/zinc/61/96/70/1384619670.db2.gz VYGYTVXMZMMATP-QUCCMNQESA-N 2 0 345.531 3.367 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001316933525 1384704535 /nfs/dbraw/zinc/70/45/35/1384704535.db2.gz HSQWBQAJPNRZKC-ROUKRRSUSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001316936911 1384708671 /nfs/dbraw/zinc/70/86/71/1384708671.db2.gz IJPXAWKBPVSLBH-QGZVFWFLSA-N 2 0 331.504 3.011 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCC1)C1CC[NH+](Cc2ccsc2)CC1 ZINC001316937277 1384708733 /nfs/dbraw/zinc/70/87/33/1384708733.db2.gz MNQILPMRQMEGSC-UHFFFAOYSA-N 2 0 349.544 3.047 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001316951674 1384726367 /nfs/dbraw/zinc/72/63/67/1384726367.db2.gz CHGJROAXTMUFRR-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001316982968 1384740476 /nfs/dbraw/zinc/74/04/76/1384740476.db2.gz MJTMVDAKAVVLKJ-QZTJIDSGSA-N 2 0 343.515 3.039 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317033130 1384802195 /nfs/dbraw/zinc/80/21/95/1384802195.db2.gz FTTBDPMJXPDWNE-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001317037597 1384808446 /nfs/dbraw/zinc/80/84/46/1384808446.db2.gz WJLLCIKVMGJZJF-AZUAARDMSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH+](C)CCCC3CCC3)C2)C1 ZINC001317042944 1384816583 /nfs/dbraw/zinc/81/65/83/1384816583.db2.gz LNVUGHCUYCRVDM-AZUAARDMSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001317059551 1384832597 /nfs/dbraw/zinc/83/25/97/1384832597.db2.gz UVYKXNQBIQVFRV-SFHVURJKSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317069262 1384838223 /nfs/dbraw/zinc/83/82/23/1384838223.db2.gz HXTJNOIGUZJIAX-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1Cc1c(C)cccc1C)[NH+](C)C ZINC001317174010 1384942930 /nfs/dbraw/zinc/94/29/30/1384942930.db2.gz RMOVDPGGLBDGPP-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N1CCCC[C@H]1C[NH2+]CCC(C)(C)C ZINC001317186108 1384960939 /nfs/dbraw/zinc/96/09/39/1384960939.db2.gz HZOCHYYKJSZUKS-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001317191239 1384965532 /nfs/dbraw/zinc/96/55/32/1384965532.db2.gz YOVVUGODASXBIZ-PMACEKPBSA-N 2 0 347.547 3.330 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001317192997 1384967374 /nfs/dbraw/zinc/96/73/74/1384967374.db2.gz RDMKXEWJABJMHE-UXCKKACVSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001317255183 1385026025 /nfs/dbraw/zinc/02/60/25/1385026025.db2.gz IWVSMOFWIXJSPQ-MJGOQNOKSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)[NH2+][C@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001317255666 1385026138 /nfs/dbraw/zinc/02/61/38/1385026138.db2.gz BFBYNXXMQQLJFH-VLIAUNLRSA-N 2 0 348.450 3.038 10 0 EGAERP C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001317289859 1385063536 /nfs/dbraw/zinc/06/35/36/1385063536.db2.gz PRZWXQKTIUHQMV-PXNSSMCTSA-N 2 0 343.515 3.034 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001317362696 1385104879 /nfs/dbraw/zinc/10/48/79/1385104879.db2.gz HBFXFDAXJHNBKE-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001317411150 1385122215 /nfs/dbraw/zinc/12/22/15/1385122215.db2.gz BSECYTKFPFBUAU-DOTOQJQBSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@H+](CC(=O)NCCC[C@@H]1CCC[NH+]1CCC(C)(C)C)C1CCC1 ZINC001317422247 1385129944 /nfs/dbraw/zinc/12/99/44/1385129944.db2.gz GWOAEOZERNATOB-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCC1 ZINC001317426984 1385132130 /nfs/dbraw/zinc/13/21/30/1385132130.db2.gz ORBZXISVQHRUKG-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001317504945 1385210404 /nfs/dbraw/zinc/21/04/04/1385210404.db2.gz KTQAHJHUMBIXDE-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001317672819 1385378951 /nfs/dbraw/zinc/37/89/51/1385378951.db2.gz VJMZOEOBCLRIAC-HKUYNNGSSA-N 2 0 335.536 3.042 10 0 EGAERP C[C@@H]1C[N@H+](C[C@H]2CCCC23CCOCC3)CCN1c1cc[nH+]cc1 ZINC001175774463 1385400506 /nfs/dbraw/zinc/40/05/06/1385400506.db2.gz CZLYGZBJSKKGAC-QZTJIDSGSA-N 2 0 329.488 3.189 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001317688749 1385401127 /nfs/dbraw/zinc/40/11/27/1385401127.db2.gz ZLDKFVBOJJRCMU-AEFFLSMTSA-N 2 0 339.568 3.226 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1 ZINC001317723355 1385423899 /nfs/dbraw/zinc/42/38/99/1385423899.db2.gz GBEWVQNYTIGTQK-WOJBJXKFSA-N 2 0 343.515 3.106 10 0 EGAERP C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001175882577 1385429541 /nfs/dbraw/zinc/42/95/41/1385429541.db2.gz JIYKTTSZOZKVLG-LEWJYISDSA-N 2 0 327.516 3.341 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317802714 1385497747 /nfs/dbraw/zinc/49/77/47/1385497747.db2.gz YONOQZKCGYIUGI-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329154119 1388993855 /nfs/dbraw/zinc/99/38/55/1388993855.db2.gz WIYUQWWXOKUBLA-JKSUJKDBSA-N 2 0 325.541 3.026 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854530 1385537763 /nfs/dbraw/zinc/53/77/63/1385537763.db2.gz OYDHGJLDHYAZCB-LPHOPBHVSA-N 2 0 349.494 3.009 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH+](C)CC2CCC3(CC3)CC2)C1 ZINC001317863880 1385548843 /nfs/dbraw/zinc/54/88/43/1385548843.db2.gz QKIQFRBXZMJPBZ-IBGZPJMESA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317917254 1385567542 /nfs/dbraw/zinc/56/75/42/1385567542.db2.gz YUELVVVTEAIRFF-MNVMYWNISA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001317934420 1385574740 /nfs/dbraw/zinc/57/47/40/1385574740.db2.gz XSHKXKZAXWLFHA-LXORQPIJSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)CC1(C)C ZINC001329155452 1388994785 /nfs/dbraw/zinc/99/47/85/1388994785.db2.gz ALJJGINLZXMPDQ-GOSISDBHSA-N 2 0 332.488 3.363 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001318406413 1385675292 /nfs/dbraw/zinc/67/52/92/1385675292.db2.gz GHODAWYCISIUGM-INPAECQJSA-N 2 0 347.547 3.282 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001318452669 1385698039 /nfs/dbraw/zinc/69/80/39/1385698039.db2.gz IBEICZKNKHQPNG-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCC(C)C ZINC001318568622 1385761977 /nfs/dbraw/zinc/76/19/77/1385761977.db2.gz BEFQNIXBLUOQEM-QFBILLFUSA-N 2 0 343.531 3.120 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)[C@H]1CCCC[N@@H+]1CC ZINC001318608169 1385792672 /nfs/dbraw/zinc/79/26/72/1385792672.db2.gz UXGCSQSFIKSRAO-VQTJNVASSA-N 2 0 345.531 3.108 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCC(C)C)CC2)CC[N@@H+]1C ZINC001318952581 1385894879 /nfs/dbraw/zinc/89/48/79/1385894879.db2.gz FETOZRLFMOHUPR-CADBVGFASA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCCC2CCC2)CCCC1)[NH+]1CCCC1 ZINC001319369502 1386085315 /nfs/dbraw/zinc/08/53/15/1386085315.db2.gz QFZSAUJPVXAATB-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC2(C[NH+](CCCC(C)C)C2)CC1 ZINC001319402688 1386104993 /nfs/dbraw/zinc/10/49/93/1386104993.db2.gz NANHZHNYTKEWQR-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319622650 1386217062 /nfs/dbraw/zinc/21/70/62/1386217062.db2.gz ZDVBVQZHDFQDHD-WOJBJXKFSA-N 2 0 349.563 3.482 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001319690158 1386253260 /nfs/dbraw/zinc/25/32/60/1386253260.db2.gz ICHZBWHJOHEXOD-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001698636382 1406282372 /nfs/dbraw/zinc/28/23/72/1406282372.db2.gz ZPFRVRISWCPXCR-WAYWQWQTSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698636943 1406282888 /nfs/dbraw/zinc/28/28/88/1406282888.db2.gz YZAGYTCMCWDJNF-CALCHBBNSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698636944 1406283188 /nfs/dbraw/zinc/28/31/88/1406283188.db2.gz YZAGYTCMCWDJNF-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CC2(CCC2)C1 ZINC001319936944 1386403274 /nfs/dbraw/zinc/40/32/74/1386403274.db2.gz SFAZSCYGWHEPEJ-WDSOQIARSA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@@H](C(=O)N(C)CC[N@H+](C)Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001320049100 1386475156 /nfs/dbraw/zinc/47/51/56/1386475156.db2.gz COYFETQQEZPXCS-IBGZPJMESA-N 2 0 333.520 3.040 10 0 EGAERP CN(CC[N@H+](C)Cc1ccsc1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001320062552 1386484118 /nfs/dbraw/zinc/48/41/18/1386484118.db2.gz YJXAEVUVFMIRPE-UHFFFAOYSA-N 2 0 345.512 3.014 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC2CC(C)(C)C2)C1 ZINC001320111570 1386519248 /nfs/dbraw/zinc/51/92/48/1386519248.db2.gz PLCOELYJAQGSRS-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001320113050 1386521792 /nfs/dbraw/zinc/52/17/92/1386521792.db2.gz FWFXXTYVIZROPL-WOJBJXKFSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320369789 1386589999 /nfs/dbraw/zinc/58/99/99/1386589999.db2.gz BIPRLZJZWQASCX-VQIMIIECSA-N 2 0 345.531 3.063 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001320515243 1386633671 /nfs/dbraw/zinc/63/36/71/1386633671.db2.gz DQVIBYGJIMQKNU-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001320562669 1386651508 /nfs/dbraw/zinc/65/15/08/1386651508.db2.gz LAKMGDACGUFOAA-MOPGFXCFSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@H](CC[NH2+][C@H]1CCc2ccccc21)NC(=O)CCC[NH+]1CCCC1 ZINC001320645152 1386678209 /nfs/dbraw/zinc/67/82/09/1386678209.db2.gz PQMPCDUZGWCVQT-XLIONFOSSA-N 2 0 343.515 3.034 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001698670203 1406319940 /nfs/dbraw/zinc/31/99/40/1406319940.db2.gz AVGZNWAAOFYJDA-MNVMYWNISA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(CF)cc1 ZINC001321662766 1386952234 /nfs/dbraw/zinc/95/22/34/1386952234.db2.gz JLXOGXGUNIPUMZ-VQIMIIECSA-N 2 0 349.494 3.013 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001321756586 1386976403 /nfs/dbraw/zinc/97/64/03/1386976403.db2.gz OEGUGAZNXAXPOU-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC001322035041 1387035791 /nfs/dbraw/zinc/03/57/91/1387035791.db2.gz SDLHIEQTOBUTGP-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CN(CCC[NH2+]CC1CCC(C)(C)CC1)C(=O)C12CCC[NH+]1CCC2 ZINC001322589858 1387210694 /nfs/dbraw/zinc/21/06/94/1387210694.db2.gz BLPLMSUMZRDKEC-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001322793330 1387238579 /nfs/dbraw/zinc/23/85/79/1387238579.db2.gz RUOLIPIGYWXCNE-QGZVFWFLSA-N 2 0 347.528 3.180 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)cc1C ZINC001322843616 1387244923 /nfs/dbraw/zinc/24/49/23/1387244923.db2.gz DMGHAVZWGSFVKR-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CCC1CCCCC1 ZINC001322852355 1387246876 /nfs/dbraw/zinc/24/68/76/1387246876.db2.gz MYWWQTVOPUNJAC-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CCC[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001322852671 1387247169 /nfs/dbraw/zinc/24/71/69/1387247169.db2.gz VIOLSOACVPSUPC-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CCCC1 ZINC001329458749 1389116570 /nfs/dbraw/zinc/11/65/70/1389116570.db2.gz BWOXZGIPYPRVCI-QFBILLFUSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCCC1 ZINC001329460231 1389118098 /nfs/dbraw/zinc/11/80/98/1389118098.db2.gz PKLAOIDBDVMVON-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP Fc1ccc(-c2nc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)co2)cc1 ZINC001329490838 1389131008 /nfs/dbraw/zinc/13/10/08/1389131008.db2.gz OJCUXUUITHKGSQ-UHFFFAOYSA-N 2 0 329.419 3.446 10 0 EGAERP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001329612589 1389183953 /nfs/dbraw/zinc/18/39/53/1389183953.db2.gz FMUDKHKFWDBBDL-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCOC3(CCCC3)C2)CC1 ZINC001329644135 1389196230 /nfs/dbraw/zinc/19/62/30/1389196230.db2.gz TWDCWFDPVFEBAJ-LJQANCHMSA-N 2 0 343.515 3.020 10 0 EGAERP C[C@@H]1CCN(C(=O)OC(C)(C)C)C[C@@H]1[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC001329731777 1389210984 /nfs/dbraw/zinc/21/09/84/1389210984.db2.gz OBRVLAJJEUNDKH-PMPSAXMXSA-N 2 0 339.524 3.094 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001329861004 1389238419 /nfs/dbraw/zinc/23/84/19/1389238419.db2.gz MFMJOVZLQSLNHS-RBUKOAKNSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001329923856 1389260896 /nfs/dbraw/zinc/26/08/96/1389260896.db2.gz PVQFYHMVWLJYGF-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001329998689 1389282254 /nfs/dbraw/zinc/28/22/54/1389282254.db2.gz UWLVNBVROFIDCV-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[N@H+]2C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)cc1 ZINC001330245683 1389364368 /nfs/dbraw/zinc/36/43/68/1389364368.db2.gz WUZJPJJPKOWLEE-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001330642817 1389480778 /nfs/dbraw/zinc/48/07/78/1389480778.db2.gz BKTOKBWZEHKKIW-XSLAGTTESA-N 2 0 337.552 3.027 10 0 EGAERP FC1(F)CC12CC([NH2+]Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC001330768463 1389522021 /nfs/dbraw/zinc/52/20/21/1389522021.db2.gz XKJQSOIMVQJIDQ-UHFFFAOYSA-N 2 0 336.426 3.439 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001331069535 1389618714 /nfs/dbraw/zinc/61/87/14/1389618714.db2.gz YDQWDPVGAPLLOJ-QGZVFWFLSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001331358174 1389717516 /nfs/dbraw/zinc/71/75/16/1389717516.db2.gz AOTQPMGMCZDNAJ-IBGZPJMESA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CC(C)(C)C1 ZINC001331597519 1389820453 /nfs/dbraw/zinc/82/04/53/1389820453.db2.gz SOBHSIGQIQCWOS-MRXNPFEDSA-N 2 0 345.531 3.235 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001331617458 1389831970 /nfs/dbraw/zinc/83/19/70/1389831970.db2.gz UKIGACDLDQWRDQ-WMLDXEAASA-N 2 0 347.528 3.178 10 0 EGAERP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001331642692 1389840940 /nfs/dbraw/zinc/84/09/40/1389840940.db2.gz BSWOVRSBZDZKHK-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001331643529 1389842410 /nfs/dbraw/zinc/84/24/10/1389842410.db2.gz IOEWEXGAZHFRMJ-QGZVFWFLSA-N 2 0 333.520 3.087 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001331645375 1389845060 /nfs/dbraw/zinc/84/50/60/1389845060.db2.gz ACCRDDONIQURSR-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001332031169 1389952845 /nfs/dbraw/zinc/95/28/45/1389952845.db2.gz JNOZCUHVMONLFE-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1C[NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C ZINC001332435909 1390116667 /nfs/dbraw/zinc/11/66/67/1390116667.db2.gz BVZGVZCMYHTZCB-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2=CCCCC2)C(C)(C)C1 ZINC001332438349 1390117757 /nfs/dbraw/zinc/11/77/57/1390117757.db2.gz REHLURLLPCVIJQ-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1 ZINC001698766276 1406423014 /nfs/dbraw/zinc/42/30/14/1406423014.db2.gz VGULGXADSCYCEX-DLBZAZTESA-N 2 0 347.547 3.339 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001332740319 1390177052 /nfs/dbraw/zinc/17/70/52/1390177052.db2.gz HODJESJAQPEBLP-UHFFFAOYSA-N 2 0 347.547 3.312 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C[NH2+]CC(C)C)C(C)(C)C)c1ccccc1 ZINC001332881474 1390207775 /nfs/dbraw/zinc/20/77/75/1390207775.db2.gz JWVCRPVONIZTRI-MOPGFXCFSA-N 2 0 347.547 3.456 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c(C)c1 ZINC001332898584 1390212479 /nfs/dbraw/zinc/21/24/79/1390212479.db2.gz KALFWWMRPQUMCP-IBGZPJMESA-N 2 0 345.531 3.020 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC001333179698 1390261901 /nfs/dbraw/zinc/26/19/01/1390261901.db2.gz KFTKMGOPYDCHCG-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001698801546 1406478563 /nfs/dbraw/zinc/47/85/63/1406478563.db2.gz URIDRJIHZUNOFG-KRWDZBQOSA-N 2 0 331.504 3.026 10 0 EGAERP CC1(C)CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)CC(C)(C)[NH2+]1 ZINC001348213111 1391186737 /nfs/dbraw/zinc/18/67/37/1391186737.db2.gz OKBZBNHGINLXRA-UHFFFAOYSA-N 2 0 343.515 3.275 10 0 EGAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001349869843 1391378247 /nfs/dbraw/zinc/37/82/47/1391378247.db2.gz PEYAGDUXULSUGN-UYAOXDASSA-N 2 0 345.531 3.278 10 0 EGAERP c1ccc(N2CCCC2)c(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC001350006795 1391397231 /nfs/dbraw/zinc/39/72/31/1391397231.db2.gz QIBMSUPKZJAIHX-LJQANCHMSA-N 2 0 327.516 3.498 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001479259804 1392199990 /nfs/dbraw/zinc/19/99/90/1392199990.db2.gz CLYCDXGXKGXWSU-HKUYNNGSSA-N 2 0 331.504 3.012 10 0 EGAERP CN(C[C@@H]1CC[NH+]1CCC(C)(C)C)C(=O)CCC[NH+]1CCCCC1 ZINC001479272644 1392203041 /nfs/dbraw/zinc/20/30/41/1392203041.db2.gz XNPMPVHUMMLBDN-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2C[C@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001479408439 1392237150 /nfs/dbraw/zinc/23/71/50/1392237150.db2.gz LIGIIRCEEGTGJA-FHWLQOOXSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H](CC)[NH+](C)C)C2)CC1 ZINC001479500464 1392257843 /nfs/dbraw/zinc/25/78/43/1392257843.db2.gz FWOQWIJVYHBFLT-IDPBEMBBSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001479557024 1392274811 /nfs/dbraw/zinc/27/48/11/1392274811.db2.gz HVARRWIUQKSFJP-YZGWKJHDSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001479693737 1392325060 /nfs/dbraw/zinc/32/50/60/1392325060.db2.gz DDFNYLINYKATKQ-UYAOXDASSA-N 2 0 345.531 3.450 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001479718134 1392335855 /nfs/dbraw/zinc/33/58/55/1392335855.db2.gz PUKKJACKWLQTPF-KURKYZTESA-N 2 0 339.568 3.226 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)[C@@H]1C)[NH+](C)C ZINC001479718291 1392336653 /nfs/dbraw/zinc/33/66/53/1392336653.db2.gz GBDHNGMLGAXNQE-NZSAHSFTSA-N 2 0 349.563 3.122 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001479735154 1392346416 /nfs/dbraw/zinc/34/64/16/1392346416.db2.gz NMWXTMJEJOTBCX-PMACEKPBSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001479747987 1392365639 /nfs/dbraw/zinc/36/56/39/1392365639.db2.gz KNCBYGGFQFUMSV-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CC(C)(C)C1 ZINC001479847211 1392428970 /nfs/dbraw/zinc/42/89/70/1392428970.db2.gz YBNWRJXUWUTFAW-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)CC1CCC2(CC2)CC1 ZINC001479853277 1392433374 /nfs/dbraw/zinc/43/33/74/1392433374.db2.gz IBGDBRYEDSTZOH-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001479987127 1392519300 /nfs/dbraw/zinc/51/93/00/1392519300.db2.gz CLNKRVZWDBTSOR-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001480045636 1392549381 /nfs/dbraw/zinc/54/93/81/1392549381.db2.gz ZBTKDDFGCYQWFC-RTBURBONSA-N 2 0 349.563 3.027 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]([NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001480055095 1392553641 /nfs/dbraw/zinc/55/36/41/1392553641.db2.gz JXVMPJYJFUQNOK-HXUWFJFHSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001480143501 1392600405 /nfs/dbraw/zinc/60/04/05/1392600405.db2.gz BCMDZCQZZLUJIP-UFYCRDLUSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480283415 1392658763 /nfs/dbraw/zinc/65/87/63/1392658763.db2.gz JOFGQVKGFFAZRK-ZYHOBAKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1cc(C)cc(C)c1)[NH+](C)C ZINC001480318363 1392678339 /nfs/dbraw/zinc/67/83/39/1392678339.db2.gz BATAKOUPFXEACP-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCCC[NH+]1CCCC(C)(C)C ZINC001480320682 1392681268 /nfs/dbraw/zinc/68/12/68/1392681268.db2.gz YDJYXSRYBRDXDP-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C[NH+]2CCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001480332936 1392691779 /nfs/dbraw/zinc/69/17/79/1392691779.db2.gz UVYUPFLEMDDLBF-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001480335332 1392693988 /nfs/dbraw/zinc/69/39/88/1392693988.db2.gz QNKZXJCQOXPUGP-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)CCC1 ZINC001480350119 1392699684 /nfs/dbraw/zinc/69/96/84/1392699684.db2.gz PUKIPHAPMMDALN-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001480352078 1392700661 /nfs/dbraw/zinc/70/06/61/1392700661.db2.gz QJWJCIAVCNKNOG-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001480410126 1392746201 /nfs/dbraw/zinc/74/62/01/1392746201.db2.gz WQOTXILGUSOJGJ-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001480530434 1392781092 /nfs/dbraw/zinc/78/10/92/1392781092.db2.gz GUWGCGOIRBDNTN-KRWDZBQOSA-N 2 0 345.531 3.280 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481095839 1393118591 /nfs/dbraw/zinc/11/85/91/1393118591.db2.gz NQRTWDGJJYJZGA-PEPAHJGKSA-N 2 0 347.547 3.188 10 0 EGAERP Cc1cccc(C[NH2+]CCN(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001481319443 1393163068 /nfs/dbraw/zinc/16/30/68/1393163068.db2.gz DWVCOPNQPIXKOB-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001481340613 1393167946 /nfs/dbraw/zinc/16/79/46/1393167946.db2.gz SPTKEWPKDYJJDQ-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001490311048 1393174060 /nfs/dbraw/zinc/17/40/60/1393174060.db2.gz GMBRUBHXJDSFPQ-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)c1ccc([C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C)[NH2+]CC2CC2)cc1 ZINC001481357703 1393179172 /nfs/dbraw/zinc/17/91/72/1393179172.db2.gz IRTZKVAAKRSBNF-PMACEKPBSA-N 2 0 343.515 3.061 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001698882624 1406613723 /nfs/dbraw/zinc/61/37/23/1406613723.db2.gz GCDMCWXBXVTQPY-MOPGFXCFSA-N 2 0 337.552 3.314 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)C[C@@H]1C ZINC001698900719 1406634008 /nfs/dbraw/zinc/63/40/08/1406634008.db2.gz UCDBLQXPMYCTSW-LOYZYROESA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481434460 1394290358 /nfs/dbraw/zinc/29/03/58/1394290358.db2.gz OGHWUJVVSXDTLH-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481434457 1394290457 /nfs/dbraw/zinc/29/04/57/1394290457.db2.gz OGHWUJVVSXDTLH-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(NC[C@@H]([NH2+]CC1CCC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001490698570 1394298568 /nfs/dbraw/zinc/29/85/68/1394298568.db2.gz HRSJPSUSSLFSCX-UXHICEINSA-N 2 0 347.547 3.068 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490827147 1394355972 /nfs/dbraw/zinc/35/59/72/1394355972.db2.gz WSLIIIDJKIVMLJ-BJUCQYRTSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001490838247 1394359404 /nfs/dbraw/zinc/35/94/04/1394359404.db2.gz QCEHFAVILPQWDW-XCJDPYLSSA-N 2 0 347.547 3.330 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950595 1406691262 /nfs/dbraw/zinc/69/12/62/1406691262.db2.gz ADWNIFHAAVNJST-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2CC[NH+](C)CC2)C1 ZINC001490980004 1394390879 /nfs/dbraw/zinc/39/08/79/1394390879.db2.gz AYYHHQXCZFYXAM-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001490981731 1394391539 /nfs/dbraw/zinc/39/15/39/1394391539.db2.gz JRQSCUYEOYBLBV-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481732131 1394481705 /nfs/dbraw/zinc/48/17/05/1394481705.db2.gz HRKMWBSBRAPLGY-SFHVURJKSA-N 2 0 335.536 3.138 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC001491231877 1394486149 /nfs/dbraw/zinc/48/61/49/1394486149.db2.gz VIWXPBJOUMWLFP-GOSISDBHSA-N 2 0 349.494 3.028 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1CC ZINC001491236387 1394489211 /nfs/dbraw/zinc/48/92/11/1394489211.db2.gz KYKLFZKMSUSHEW-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CC2CCC(C)(C)CC2)CC1 ZINC001491360769 1394511925 /nfs/dbraw/zinc/51/19/25/1394511925.db2.gz JMQDTUMGNCGPOR-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2CCC([NH2+]CCC(C)C)CC2)C1 ZINC001491360593 1394512043 /nfs/dbraw/zinc/51/20/43/1394512043.db2.gz GWUDWUXVWWXFKI-VIQWUECVSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001491818186 1394535683 /nfs/dbraw/zinc/53/56/83/1394535683.db2.gz ZIXUXWMRYQDQIY-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001481998696 1394657812 /nfs/dbraw/zinc/65/78/12/1394657812.db2.gz GOKMJYLGKZNWKJ-IBGZPJMESA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001482005191 1394665476 /nfs/dbraw/zinc/66/54/76/1394665476.db2.gz DVGYOLIZVCZTGG-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(CC[NH2+]CC2CCCC2)CC1 ZINC001482008340 1394668061 /nfs/dbraw/zinc/66/80/61/1394668061.db2.gz OYAQEEJMJBQTFK-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)C2CC[NH+](C)CC2)CCCC1 ZINC001482228171 1394823214 /nfs/dbraw/zinc/82/32/14/1394823214.db2.gz NIRLXIYYIVKITK-WAYWQWQTSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H](C[NH2+]CC1CCC1)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482325394 1394895188 /nfs/dbraw/zinc/89/51/88/1394895188.db2.gz WTHCGGAKGPOWEB-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001482405714 1394968857 /nfs/dbraw/zinc/96/88/57/1394968857.db2.gz HNRCITHESWVLSN-MOPGFXCFSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001482430418 1394990845 /nfs/dbraw/zinc/99/08/45/1394990845.db2.gz AHFDUFXYSBRPFF-PXNSSMCTSA-N 2 0 343.515 3.155 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C)cc1)[NH+](C)C ZINC001482452342 1395011184 /nfs/dbraw/zinc/01/11/84/1395011184.db2.gz ILOZRJRBAPSKJL-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001482471195 1395025930 /nfs/dbraw/zinc/02/59/30/1395025930.db2.gz IUINCRMXSFJXSP-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC2(C1)CC[NH+](CCC(C)(C)C)CC2 ZINC001483836476 1395104292 /nfs/dbraw/zinc/10/42/92/1395104292.db2.gz AEJSBMJLQZODOT-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001483974220 1395170799 /nfs/dbraw/zinc/17/07/99/1395170799.db2.gz VYNLGERFQAEWBN-SREVYHEPSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001484111729 1395257147 /nfs/dbraw/zinc/25/71/47/1395257147.db2.gz JBPIEZIHQIYGKP-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2(C)CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001484144868 1395280376 /nfs/dbraw/zinc/28/03/76/1395280376.db2.gz LXZYKESRUQUBJZ-IBGZPJMESA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001484168327 1395305873 /nfs/dbraw/zinc/30/58/73/1395305873.db2.gz MRTHLNLRMQJQKJ-PZJWPPBQSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001484326070 1395342807 /nfs/dbraw/zinc/34/28/07/1395342807.db2.gz ZTAZXGHKNTYJFI-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCC2)CC1 ZINC001484395416 1395365697 /nfs/dbraw/zinc/36/56/97/1395365697.db2.gz WRCKDMAWPJRVDL-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001484561951 1395447546 /nfs/dbraw/zinc/44/75/46/1395447546.db2.gz UDPBHJSQHIADJT-INIZCTEOSA-N 2 0 331.504 3.095 10 0 EGAERP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001484561922 1395447628 /nfs/dbraw/zinc/44/76/28/1395447628.db2.gz SKPVBDGOZNPNQX-YWZLYKJASA-N 2 0 349.494 3.186 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001484618805 1395452532 /nfs/dbraw/zinc/45/25/32/1395452532.db2.gz ZKVGIDNOINPUJG-LJQANCHMSA-N 2 0 331.504 3.133 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001484638200 1395457955 /nfs/dbraw/zinc/45/79/55/1395457955.db2.gz HMQIASKDMBCGGM-GOSISDBHSA-N 2 0 347.547 3.070 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001484637583 1395458296 /nfs/dbraw/zinc/45/82/96/1395458296.db2.gz JIKABVRVWQOQGI-SFHVURJKSA-N 2 0 335.536 3.212 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[N@H+](CC2CCC(C)(C)CC2)CC1 ZINC001484721659 1395484806 /nfs/dbraw/zinc/48/48/06/1395484806.db2.gz AYNAMIVXWLPZQS-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001484728410 1395491851 /nfs/dbraw/zinc/49/18/51/1395491851.db2.gz OBXSLIXCTDYXFI-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C[C@H]1C ZINC001484983932 1395625142 /nfs/dbraw/zinc/62/51/42/1395625142.db2.gz ROGXBLMSVTZXPN-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001485229344 1395722869 /nfs/dbraw/zinc/72/28/69/1395722869.db2.gz IWDXLMJDFOUIBO-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001485229233 1395723183 /nfs/dbraw/zinc/72/31/83/1395723183.db2.gz HQGLMVDFHAZKOZ-SJORKVTESA-N 2 0 333.520 3.133 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001485238548 1395731095 /nfs/dbraw/zinc/73/10/95/1395731095.db2.gz FWMUCGCUDQEUDM-JYPHPWERSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CCC([NH2+]CC=C(C)C)CC1 ZINC001485238951 1395731976 /nfs/dbraw/zinc/73/19/76/1395731976.db2.gz UELYMYRMBGRGIP-ACBHZAAOSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001485262477 1395748361 /nfs/dbraw/zinc/74/83/61/1395748361.db2.gz QKRGARJIMULGSI-UHFFFAOYSA-N 2 0 345.531 3.402 10 0 EGAERP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)CC1CCCC1 ZINC001485332191 1395805755 /nfs/dbraw/zinc/80/57/55/1395805755.db2.gz MICQBHHRZYOVHH-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001485450597 1395918495 /nfs/dbraw/zinc/91/84/95/1395918495.db2.gz KLMVQPAEDZQANR-GOSISDBHSA-N 2 0 337.552 3.458 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001485454924 1395924592 /nfs/dbraw/zinc/92/45/92/1395924592.db2.gz PJVPCFCAOMUMMX-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC1CC(C[NH2+]CC2(NC(=O)C[NH+]3CCC(C)CC3)CCCCC2)C1 ZINC001485457308 1395930249 /nfs/dbraw/zinc/93/02/49/1395930249.db2.gz NNPRCQZSYVNPSK-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001485476629 1395954423 /nfs/dbraw/zinc/95/44/23/1395954423.db2.gz MRLJSBBTAOAIAT-GUDVDZBRSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001485484883 1395970230 /nfs/dbraw/zinc/97/02/30/1395970230.db2.gz NMCXYQQFBADGRJ-CTNGQTDRSA-N 2 0 349.563 3.413 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[NH+](CC2CCCCC2)CC1(C)C ZINC001485571317 1396038520 /nfs/dbraw/zinc/03/85/20/1396038520.db2.gz JHGFACSJIKNWGH-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001485714209 1396114214 /nfs/dbraw/zinc/11/42/14/1396114214.db2.gz BVSZHDBQNPATRN-PXNSSMCTSA-N 2 0 345.531 3.279 10 0 EGAERP CC[C@@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001486240848 1396187660 /nfs/dbraw/zinc/18/76/60/1396187660.db2.gz QHBRNLPCDADHSQ-MOPGFXCFSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001486241943 1396187857 /nfs/dbraw/zinc/18/78/57/1396187857.db2.gz ZRUJIODZHNBURR-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2CCCCC2)C(C)(C)C1 ZINC001486248590 1396189144 /nfs/dbraw/zinc/18/91/44/1396189144.db2.gz XPONUROOAVWPFY-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001501232610 1396190271 /nfs/dbraw/zinc/19/02/71/1396190271.db2.gz KVPDKEDCJTUGDX-AQNXPRMDSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C[C@@H]1C ZINC001502987186 1396237780 /nfs/dbraw/zinc/23/77/80/1396237780.db2.gz LPFNVIKEFNEKDP-GGVAOPBYSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccsc1 ZINC001503525816 1396258107 /nfs/dbraw/zinc/25/81/07/1396258107.db2.gz RWEUBDIRRIEUQF-HNNXBMFYSA-N 2 0 345.512 3.108 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001505410607 1396294506 /nfs/dbraw/zinc/29/45/06/1396294506.db2.gz GFABJWLIJUJOMM-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CC1)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001492156621 1396309388 /nfs/dbraw/zinc/30/93/88/1396309388.db2.gz HTJPYIJXXDHMRP-QUCCMNQESA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)(C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCC1 ZINC001492163945 1396310392 /nfs/dbraw/zinc/31/03/92/1396310392.db2.gz NNYKYQYAZSQJHV-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001493140074 1396338141 /nfs/dbraw/zinc/33/81/41/1396338141.db2.gz NFFKEAJOUYTCPA-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001493831338 1396343399 /nfs/dbraw/zinc/34/33/99/1396343399.db2.gz NITNEDHMTFUVOM-PYTPGESOSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493830754 1396343492 /nfs/dbraw/zinc/34/34/92/1396343492.db2.gz PISPNUSTCMMWSP-DVBCCOPCSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCCC1)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001699002254 1406815904 /nfs/dbraw/zinc/81/59/04/1406815904.db2.gz RSVGZNONTVDZBJ-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699004288 1406823013 /nfs/dbraw/zinc/82/30/13/1406823013.db2.gz QXVWHNZGAQYTRL-UHFFFAOYSA-N 2 0 345.531 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001495918521 1396571888 /nfs/dbraw/zinc/57/18/88/1396571888.db2.gz MMCPZRUMJMOECC-GOSISDBHSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001495947094 1396573985 /nfs/dbraw/zinc/57/39/85/1396573985.db2.gz DCTUDSYZLLGVLW-ZWKOTPCHSA-N 2 0 335.536 3.212 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1 ZINC001496417125 1396700459 /nfs/dbraw/zinc/70/04/59/1396700459.db2.gz YUFDRGMMWBAHFM-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001496417743 1396701105 /nfs/dbraw/zinc/70/11/05/1396701105.db2.gz UMFMLYCAUFJFRR-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001496575267 1396717002 /nfs/dbraw/zinc/71/70/02/1396717002.db2.gz OSTZVHJMZRYTNG-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001689052212 1396847358 /nfs/dbraw/zinc/84/73/58/1396847358.db2.gz JZTZDKWTRGPUPR-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001689055889 1396855678 /nfs/dbraw/zinc/85/56/78/1396855678.db2.gz MVEPAWHFAYEQGW-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1=CCCCC1 ZINC001689184905 1396963208 /nfs/dbraw/zinc/96/32/08/1396963208.db2.gz XSTBGYZCMOFOBI-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001689198027 1396968420 /nfs/dbraw/zinc/96/84/20/1396968420.db2.gz MJWXVFSXMZREBD-OTWHNJEPSA-N 2 0 335.536 3.042 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC[N@@H+]1CC=C(C)C ZINC001689198026 1396968967 /nfs/dbraw/zinc/96/89/67/1396968967.db2.gz MJWXVFSXMZREBD-IPMKNSEASA-N 2 0 335.536 3.042 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001498454993 1397001076 /nfs/dbraw/zinc/00/10/76/1397001076.db2.gz HBCQHTNFBMWTBK-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001689336381 1397041048 /nfs/dbraw/zinc/04/10/48/1397041048.db2.gz LXCHNRMNZQKESU-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](F)C[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001689365350 1403705202 /nfs/dbraw/zinc/70/52/02/1403705202.db2.gz DJWSSNISXSUQPT-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001689807675 1404148027 /nfs/dbraw/zinc/14/80/27/1404148027.db2.gz DRMXECQAOBZGQH-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCC1 ZINC001689809796 1404150099 /nfs/dbraw/zinc/15/00/99/1404150099.db2.gz GWJPFQMVUGAMRX-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001689825012 1404161637 /nfs/dbraw/zinc/16/16/37/1404161637.db2.gz FMNDSQDNMPFOMY-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)CC1=CCCCC1 ZINC001689970083 1404235029 /nfs/dbraw/zinc/23/50/29/1404235029.db2.gz DQYZLHZAJZSDTJ-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[NH+]1CCC(CC(=O)NCCC[N@H+](CC2CC(C)(C)C2)C2CC2)CC1 ZINC001690007700 1404252812 /nfs/dbraw/zinc/25/28/12/1404252812.db2.gz ZALKBDGYGMDZOA-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001690029779 1404268730 /nfs/dbraw/zinc/26/87/30/1404268730.db2.gz KTYXZUBIHBVQHF-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001690164874 1404363272 /nfs/dbraw/zinc/36/32/72/1404363272.db2.gz OSOAQJOUXDYDGN-FFZOFVMBSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001690487385 1404601856 /nfs/dbraw/zinc/60/18/56/1404601856.db2.gz RHRWYMATMQTWBG-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001690504620 1404616938 /nfs/dbraw/zinc/61/69/38/1404616938.db2.gz GFZYZBGBOSXSHJ-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001690746090 1404706479 /nfs/dbraw/zinc/70/64/79/1404706479.db2.gz SKVQKPRVUCOOHJ-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690778328 1404727296 /nfs/dbraw/zinc/72/72/96/1404727296.db2.gz XYYCORHULHDURZ-ROUUACIJSA-N 2 0 337.552 3.314 10 0 EGAERP O=C(N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001690785727 1404733247 /nfs/dbraw/zinc/73/32/47/1404733247.db2.gz XSNQAYJQZZMZTB-RTBURBONSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CC2CCCCCC2)C1 ZINC001690826384 1404764015 /nfs/dbraw/zinc/76/40/15/1404764015.db2.gz FPHYGGJJHDBDAQ-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001690988460 1404905110 /nfs/dbraw/zinc/90/51/10/1404905110.db2.gz IHEAOMYKFYJFSC-QGZVFWFLSA-N 2 0 343.515 3.015 10 0 EGAERP CCc1ccccc1C[N@H+](CC)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001691034292 1404943226 /nfs/dbraw/zinc/94/32/26/1404943226.db2.gz LKYDUBFJSSSHBJ-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001691107809 1405047331 /nfs/dbraw/zinc/04/73/31/1405047331.db2.gz QIRHAPGFHDVIMM-HDICACEKSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001691147856 1405081223 /nfs/dbraw/zinc/08/12/23/1405081223.db2.gz HAIXCYMNFZWXOX-KRWDZBQOSA-N 2 0 342.487 3.275 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1)c1ccccc1 ZINC001691165933 1405100933 /nfs/dbraw/zinc/10/09/33/1405100933.db2.gz JDBJELIQHHEUNZ-ICSRJNTNSA-N 2 0 345.531 3.164 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691225613 1405165515 /nfs/dbraw/zinc/16/55/15/1405165515.db2.gz CGLHJJSNICPEPV-IPMKNSEASA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691304996 1405199182 /nfs/dbraw/zinc/19/91/82/1405199182.db2.gz IUJCMDKELQCCBV-UYAOXDASSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001691352367 1405211448 /nfs/dbraw/zinc/21/14/48/1405211448.db2.gz UGDXKUDUFPPTJR-IBGZPJMESA-N 2 0 345.531 3.232 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@H]21 ZINC001691427948 1405260724 /nfs/dbraw/zinc/26/07/24/1405260724.db2.gz HAVTZHNULMSZGY-QRQLOZEOSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CC[NH+](C)C)C(C)(C)[C@H]21 ZINC001691428511 1405262381 /nfs/dbraw/zinc/26/23/81/1405262381.db2.gz NZEKZRPJZBQIIL-QQEKUCNNSA-N 2 0 349.563 3.290 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001691478859 1405294038 /nfs/dbraw/zinc/29/40/38/1405294038.db2.gz QLNIZKIMQOTNSX-BGYRXZFFSA-N 2 0 347.547 3.237 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001691628723 1405365711 /nfs/dbraw/zinc/36/57/11/1405365711.db2.gz BCIGVYOQHCFGPQ-QUCCMNQESA-N 2 0 345.531 3.450 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001691629909 1405367881 /nfs/dbraw/zinc/36/78/81/1405367881.db2.gz YGABYHXIIGGFAX-RBUKOAKNSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001691636628 1405372350 /nfs/dbraw/zinc/37/23/50/1405372350.db2.gz JTCOEJYLQYPQFU-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001691683116 1405418359 /nfs/dbraw/zinc/41/83/59/1405418359.db2.gz OTBRLPLTPNZDLV-PKOBYXMFSA-N 2 0 339.568 3.226 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001691691688 1405425776 /nfs/dbraw/zinc/42/57/76/1405425776.db2.gz CFHPXQNODQXNHT-SFHVURJKSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001691691754 1405426323 /nfs/dbraw/zinc/42/63/23/1405426323.db2.gz DNRLBUPQXCNWAR-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001691796764 1405507748 /nfs/dbraw/zinc/50/77/48/1405507748.db2.gz NMBGNRSTZMTOLO-PKOBYXMFSA-N 2 0 331.504 3.108 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001691823226 1405539493 /nfs/dbraw/zinc/53/94/93/1405539493.db2.gz LDUVPFDXNLIWJI-CNZFZVQHSA-N 2 0 337.552 3.290 10 0 EGAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001731306793 1427248851 /nfs/dbraw/zinc/24/88/51/1427248851.db2.gz JILQCTKRKDRXEO-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)C(C)C)CC(C)(C)C1 ZINC001691823868 1405539982 /nfs/dbraw/zinc/53/99/82/1405539982.db2.gz ZDUAJMGDLVSECU-SFHVURJKSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001691891111 1405614224 /nfs/dbraw/zinc/61/42/24/1405614224.db2.gz LABVYTLBCSXQOB-RLLQIKCJSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691924092 1405655162 /nfs/dbraw/zinc/65/51/62/1405655162.db2.gz HGLQGYIEVXJFEZ-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692129422 1405787722 /nfs/dbraw/zinc/78/77/22/1405787722.db2.gz UEJWAMOEZAFPLV-WFRZBGSESA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001731770981 1427882135 /nfs/dbraw/zinc/88/21/35/1427882135.db2.gz FPXMIOQAANMHIQ-WRFKIARRSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001692257413 1405883220 /nfs/dbraw/zinc/88/32/20/1405883220.db2.gz BYKICPCJFPSZCT-VQTJNVASSA-N 2 0 345.531 3.402 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001692279375 1405912517 /nfs/dbraw/zinc/91/25/17/1405912517.db2.gz DQBIKQQFYQQIBJ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001692318705 1405937756 /nfs/dbraw/zinc/93/77/56/1405937756.db2.gz GVTWOGIFZRIPLO-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001692330064 1405948502 /nfs/dbraw/zinc/94/85/02/1405948502.db2.gz UCUGAGFEZRNXAT-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001692334614 1405954704 /nfs/dbraw/zinc/95/47/04/1405954704.db2.gz XCHNTWMJBCSHKX-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001692336393 1405957344 /nfs/dbraw/zinc/95/73/44/1405957344.db2.gz OJIVLXKCAGFFIO-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)CCCC[NH+](C)C ZINC001692382219 1405987269 /nfs/dbraw/zinc/98/72/69/1405987269.db2.gz DVNVKRGJUBIIIG-FHWLQOOXSA-N 2 0 343.515 3.073 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)[C@H]2C)C1 ZINC001692381490 1405987595 /nfs/dbraw/zinc/98/75/95/1405987595.db2.gz YJWDGJNVNFBZHS-MKQGEQSTSA-N 2 0 349.563 3.266 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001698570418 1406174559 /nfs/dbraw/zinc/17/45/59/1406174559.db2.gz UKCRBMISUQDIGD-QZTJIDSGSA-N 2 0 339.568 3.466 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001698582679 1406196031 /nfs/dbraw/zinc/19/60/31/1406196031.db2.gz TXMKNYQRYGBGKB-PMACEKPBSA-N 2 0 347.547 3.284 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCC1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001698588032 1406207588 /nfs/dbraw/zinc/20/75/88/1406207588.db2.gz SOTMMNVUSJLCPE-GOSISDBHSA-N 2 0 349.544 3.047 10 0 EGAERP CCc1cccc(C[N@H+]2CC[C@H](N(CC)C(=O)[C@@H](CC)[NH+](C)C)C2)c1 ZINC001698588681 1406208872 /nfs/dbraw/zinc/20/88/72/1406208872.db2.gz RXYHHJQLNPHPQO-VQTJNVASSA-N 2 0 345.531 3.012 10 0 EGAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001698602682 1406229258 /nfs/dbraw/zinc/22/92/58/1406229258.db2.gz NATSHWASMJXNDM-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)c1ccccc1 ZINC001732019790 1428236978 /nfs/dbraw/zinc/23/69/78/1428236978.db2.gz SWZKDZFRAUZXCU-PMACEKPBSA-N 2 0 341.499 3.028 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001732030509 1428248435 /nfs/dbraw/zinc/24/84/35/1428248435.db2.gz OCEOLEQFWPMWQX-ZCNNSNEGSA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1)[NH+](CC)CC ZINC001732030508 1428248504 /nfs/dbraw/zinc/24/85/04/1428248504.db2.gz OCEOLEQFWPMWQX-HSALFYBXSA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](CC)CC ZINC001732030674 1428248571 /nfs/dbraw/zinc/24/85/71/1428248571.db2.gz UMKRNWVJXDMGSD-OTWHNJEPSA-N 2 0 349.563 3.218 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001732038895 1428263453 /nfs/dbraw/zinc/26/34/53/1428263453.db2.gz MVWJBTWWPQZSOW-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2CC)CC1 ZINC001732085934 1428345469 /nfs/dbraw/zinc/34/54/69/1428345469.db2.gz BZSMMOBZMYVMHQ-ROUKRRSUSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)CC2CCCC2)CC1 ZINC001732085945 1428345528 /nfs/dbraw/zinc/34/55/28/1428345528.db2.gz CNRPJZUQPZTHQH-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732154509 1428397983 /nfs/dbraw/zinc/39/79/83/1428397983.db2.gz ROQHXEGGRGGDPS-QUOWSDGJSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001732167712 1428411057 /nfs/dbraw/zinc/41/10/57/1428411057.db2.gz ZGQGAMZHNGYXPV-LJQANCHMSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001732174758 1428419780 /nfs/dbraw/zinc/41/97/80/1428419780.db2.gz WIELYUUMYCZPIR-IAGOWNOFSA-N 2 0 325.541 3.076 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1c(C)cccc1C ZINC001732200367 1428450727 /nfs/dbraw/zinc/45/07/27/1428450727.db2.gz YIRULYFHHSXABX-CMKODMSKSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001732200307 1428450833 /nfs/dbraw/zinc/45/08/33/1428450833.db2.gz XKGAUAOBFBEMLA-OALUTQOASA-N 2 0 349.563 3.314 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](CC)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001732206207 1428455529 /nfs/dbraw/zinc/45/55/29/1428455529.db2.gz NAVJPJCNTWAORY-WOJBJXKFSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCC1CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001732258047 1428498686 /nfs/dbraw/zinc/49/86/86/1428498686.db2.gz BLSORWZEEQAGKJ-RXVVDRJESA-N 2 0 349.563 3.317 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001732317077 1428527964 /nfs/dbraw/zinc/52/79/64/1428527964.db2.gz NEDRTRMLAGTMSP-WOJBJXKFSA-N 2 0 345.531 3.313 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C[NH2+]CC1CCC(C)CC1 ZINC001732354107 1428545583 /nfs/dbraw/zinc/54/55/83/1428545583.db2.gz DUSMEIXREZAFTE-ADKAHSJRSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732418778 1428573596 /nfs/dbraw/zinc/57/35/96/1428573596.db2.gz IWLKWFXJSJAIGR-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCCC1)C1CCC1 ZINC001732471794 1428599860 /nfs/dbraw/zinc/59/98/60/1428599860.db2.gz CBEVSSJCTXRRAK-HXUWFJFHSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001732481398 1428606092 /nfs/dbraw/zinc/60/60/92/1428606092.db2.gz ZVGKWXXJXGWCOG-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001732515638 1428634757 /nfs/dbraw/zinc/63/47/57/1428634757.db2.gz SSIYBFXXEBBTQB-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158526 1412542489 /nfs/dbraw/zinc/54/24/89/1412542489.db2.gz FTHLHAZTZXYCAN-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1Cl ZINC001699273392 1412608638 /nfs/dbraw/zinc/60/86/38/1412608638.db2.gz FTOSLSNXOSLUCX-ZNUVNQELSA-N 2 0 349.906 3.147 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]CCC(C)(C)C)cc1 ZINC001699322212 1412638342 /nfs/dbraw/zinc/63/83/42/1412638342.db2.gz VWWDASINCKEQBN-VOTSOKGWSA-N 2 0 331.504 3.060 10 0 EGAERP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)C[C@H](C)NC(=O)CC[NH+](C)C ZINC001699459112 1412809394 /nfs/dbraw/zinc/80/93/94/1412809394.db2.gz IGFGJKMXBMRZEV-WMLDXEAASA-N 2 0 339.911 3.179 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699513882 1412900657 /nfs/dbraw/zinc/90/06/57/1412900657.db2.gz YEDJFMSCJDMBKH-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CN(CCC[NH2+][C@H]1CCc2ccccc21)C(=O)C[N@H+](C)CC(C)(C)C ZINC001699533196 1412909275 /nfs/dbraw/zinc/90/92/75/1412909275.db2.gz FMWQHCGSJLDCEM-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699539624 1412913060 /nfs/dbraw/zinc/91/30/60/1412913060.db2.gz RJTRCQAMBFPATO-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001699587917 1412945947 /nfs/dbraw/zinc/94/59/47/1412945947.db2.gz IWMXEZJFMXQOQV-WOJBJXKFSA-N 2 0 347.547 3.234 10 0 EGAERP CC[C@@H]1CN(C(=O)C23CC[NH+](CC2)C3)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001699604094 1412967220 /nfs/dbraw/zinc/96/72/20/1412967220.db2.gz CYLUYAXYOVXHDP-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001699758488 1413164719 /nfs/dbraw/zinc/16/47/19/1413164719.db2.gz PVYISOHYBYMKBJ-IBGZPJMESA-N 2 0 345.531 3.016 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)CC[NH+]2CCCCC2)C1 ZINC001699825554 1413251196 /nfs/dbraw/zinc/25/11/96/1413251196.db2.gz NSUOHYQVPZUHCW-KKHYBRAUSA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@H](c1ccccc1)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001699864811 1413301462 /nfs/dbraw/zinc/30/14/62/1413301462.db2.gz FEAXXSZRASVCHD-LJQANCHMSA-N 2 0 345.531 3.308 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCCC1CCC1 ZINC001732545142 1428719981 /nfs/dbraw/zinc/71/99/81/1428719981.db2.gz SPGBQBWAZMVMKK-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@H+](C)CCC1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001732547047 1428723704 /nfs/dbraw/zinc/72/37/04/1428723704.db2.gz JGAOFFIBKBSZTL-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001700079189 1413492459 /nfs/dbraw/zinc/49/24/59/1413492459.db2.gz FEGYLPJWNPGYOU-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[NH+](CCCCCF)CC1)CC(C)(C)C ZINC001700181201 1413594805 /nfs/dbraw/zinc/59/48/05/1413594805.db2.gz QKZZROUHDBHEEN-KRWDZBQOSA-N 2 0 343.531 3.075 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](C/C=C/c2ccccc2)CC1 ZINC001700183424 1413599455 /nfs/dbraw/zinc/59/94/55/1413599455.db2.gz DLDMIEGCKBMZCM-WUTDNEBXSA-N 2 0 343.515 3.011 10 0 EGAERP CCC1([NH2+]CCCC2CCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700217532 1413660999 /nfs/dbraw/zinc/66/09/99/1413660999.db2.gz OJOVGQCRQWHYAH-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001700230271 1413688872 /nfs/dbraw/zinc/68/88/72/1413688872.db2.gz QOSSYFABFIXRNX-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001700326194 1413795911 /nfs/dbraw/zinc/79/59/11/1413795911.db2.gz LQAIHAJYTUUALA-IRXDYDNUSA-N 2 0 325.541 3.029 10 0 EGAERP CC(C)=CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001700359293 1413866812 /nfs/dbraw/zinc/86/68/12/1413866812.db2.gz KSZYVMDTKHXRMV-RBUKOAKNSA-N 2 0 335.536 3.138 10 0 EGAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CC3CCC(C)(C)CC3)C2)CCC1 ZINC001700374098 1413901622 /nfs/dbraw/zinc/90/16/22/1413901622.db2.gz WPQZZSJGOPIWFF-UHFFFAOYSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCCC1 ZINC001732571404 1428766927 /nfs/dbraw/zinc/76/69/27/1428766927.db2.gz CZQMFRKRGZTSPV-OALUTQOASA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001700462544 1414064409 /nfs/dbraw/zinc/06/44/09/1414064409.db2.gz WSQJFRDATNBUTB-UCHJRYNZSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)CC1CCCC1 ZINC001700464121 1414066600 /nfs/dbraw/zinc/06/66/00/1414066600.db2.gz PPSBXWNJTOJGGZ-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001700474428 1414097208 /nfs/dbraw/zinc/09/72/08/1414097208.db2.gz OOOYDBDGCXCLRY-ROUUACIJSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CCC1CCCCC1 ZINC001700479808 1414112290 /nfs/dbraw/zinc/11/22/90/1414112290.db2.gz CIUWJZCUOGRFCR-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001700515772 1414166972 /nfs/dbraw/zinc/16/69/72/1414166972.db2.gz LFJVREYMUDJOMR-SNAWJCMRSA-N 2 0 349.563 3.483 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1cccc(C)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700518843 1414173508 /nfs/dbraw/zinc/17/35/08/1414173508.db2.gz GMNGGUNWLCNAET-WOJBJXKFSA-N 2 0 345.531 3.244 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700524316 1414182859 /nfs/dbraw/zinc/18/28/59/1414182859.db2.gz GGVRHJPFBANNRN-FMEUAVTJSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2CCCCC[N@@H+]2CC2CCCC2)CC1 ZINC001700525937 1414186949 /nfs/dbraw/zinc/18/69/49/1414186949.db2.gz IKSSRPQFMWVMGX-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC1(C)C)n1ccnc1 ZINC001700577028 1414251974 /nfs/dbraw/zinc/25/19/74/1414251974.db2.gz UZNPMOCQDLTKSS-HZPDHXFCSA-N 2 0 334.508 3.097 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@H]2C1 ZINC001700615395 1414280970 /nfs/dbraw/zinc/28/09/70/1414280970.db2.gz JBGDDMJXXICFEB-FHWLQOOXSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(CCC[NH2+]C(C)C)Cc1ccccc1 ZINC001700702174 1414361082 /nfs/dbraw/zinc/36/10/82/1414361082.db2.gz MOCQSUVYMXNMCJ-FQEVSTJZSA-N 2 0 345.531 3.278 10 0 EGAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001700732746 1414397607 /nfs/dbraw/zinc/39/76/07/1414397607.db2.gz QGOSXLWEHGHNGB-AZUAARDMSA-N 2 0 349.563 3.125 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001700754084 1414424491 /nfs/dbraw/zinc/42/44/91/1414424491.db2.gz MCXBFXJCUFDKCU-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1F ZINC001700766475 1414441979 /nfs/dbraw/zinc/44/19/79/1414441979.db2.gz GDPCIYKGIAFLBB-VQIMIIECSA-N 2 0 349.494 3.025 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001700830393 1414484516 /nfs/dbraw/zinc/48/45/16/1414484516.db2.gz ULFAQEJPHAYVEX-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001700851470 1414499082 /nfs/dbraw/zinc/49/90/82/1414499082.db2.gz MOSHFTCOMXCHCG-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]23CCC[C@@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001700863880 1414514310 /nfs/dbraw/zinc/51/43/10/1414514310.db2.gz CWVHEPNNJKUKKA-LVCYWYKZSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001700891706 1414551054 /nfs/dbraw/zinc/55/10/54/1414551054.db2.gz NMWYALLEIJEHCH-DOTOQJQBSA-N 2 0 349.544 3.098 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CC3)C2)cc1 ZINC001700906022 1414560792 /nfs/dbraw/zinc/56/07/92/1414560792.db2.gz IKZJFTNOEYVXJV-AZUAARDMSA-N 2 0 343.515 3.036 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]Cc2ccc(C)cc2)C(C)(C)C1 ZINC001700945588 1414585876 /nfs/dbraw/zinc/58/58/76/1414585876.db2.gz JTVSVSKXMBOBJN-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001700946614 1414586274 /nfs/dbraw/zinc/58/62/74/1414586274.db2.gz ZEOBRHWYNHQJSU-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001700986139 1414627695 /nfs/dbraw/zinc/62/76/95/1414627695.db2.gz ADGCVPMJCYLCJV-IAGOWNOFSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001701000142 1414652080 /nfs/dbraw/zinc/65/20/80/1414652080.db2.gz JYXZATLGNXXTLF-LJQANCHMSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)C(C)(C)C ZINC001701001263 1414653954 /nfs/dbraw/zinc/65/39/54/1414653954.db2.gz NUOFUEVALJHBCF-WMZOPIPTSA-N 2 0 333.520 3.208 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001701008560 1414666642 /nfs/dbraw/zinc/66/66/42/1414666642.db2.gz RDBXJGRKXNLESX-MSOLQXFVSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCCC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001701030058 1414691961 /nfs/dbraw/zinc/69/19/61/1414691961.db2.gz IMQOBNVKPVVJNA-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001701052956 1414708368 /nfs/dbraw/zinc/70/83/68/1414708368.db2.gz UQDBGQASASGBQI-UHFFFAOYSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CC(=O)NCC1=CC[NH+](CC2CC(C)(C)C2)CC1)CC(C)(C)C ZINC001701057513 1414714109 /nfs/dbraw/zinc/71/41/09/1414714109.db2.gz IFLNXJMJPGDFSY-UHFFFAOYSA-N 2 0 349.563 3.149 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001733014002 1429134024 /nfs/dbraw/zinc/13/40/24/1429134024.db2.gz VDHDSLOQXLZKLC-CQOFWLJFSA-N 2 0 343.515 3.057 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001733037532 1429163978 /nfs/dbraw/zinc/16/39/78/1429163978.db2.gz IVNNWILMGUUDKF-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCCCC3)C2)CC1 ZINC001707117444 1417208437 /nfs/dbraw/zinc/20/84/37/1417208437.db2.gz RDOYJPKXHUJZSW-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@H](C[NH2+]CCC2CC2)C1 ZINC001707165984 1417227194 /nfs/dbraw/zinc/22/71/94/1417227194.db2.gz PLPLIXZFWXMYQE-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001707175609 1417229638 /nfs/dbraw/zinc/22/96/38/1417229638.db2.gz REENFQVPPZENBV-UAFMIMERSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001707253948 1417268213 /nfs/dbraw/zinc/26/82/13/1417268213.db2.gz ZPGLEMCFSHFOAT-QAPCUYQASA-N 2 0 335.536 3.019 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC[C@H](C)F)CC(C)(C)C1 ZINC001707280081 1417289114 /nfs/dbraw/zinc/28/91/14/1417289114.db2.gz IERYUNLXPXFKPS-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@@H](C)F)CC(C)(C)C1 ZINC001707280079 1417289435 /nfs/dbraw/zinc/28/94/35/1417289435.db2.gz IERYUNLXPXFKPS-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)CC2=CCCCC2)C1 ZINC001707399806 1417313930 /nfs/dbraw/zinc/31/39/30/1417313930.db2.gz IUZWIBOUIKKPOS-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)[C@H](C)c1cc(C)ccc1C ZINC001707443743 1417348044 /nfs/dbraw/zinc/34/80/44/1417348044.db2.gz VMMGZBCEVOOJOU-QUCCMNQESA-N 2 0 345.531 3.287 10 0 EGAERP CC1CCC(C[N@H+](CCCNC(=O)[C@@H]2CCCC[NH+]2C)C2CC2)CC1 ZINC001707480513 1417377098 /nfs/dbraw/zinc/37/70/98/1417377098.db2.gz FWSACDYMFVIJBZ-QLOJAFMTSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cc(C)cc(C[N@H+](C)CCCNC(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001712952034 1417510411 /nfs/dbraw/zinc/51/04/11/1417510411.db2.gz GPWYWXBBJOGJBZ-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001713002431 1417556386 /nfs/dbraw/zinc/55/63/86/1417556386.db2.gz LACMZJIQVPVTAW-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713136236 1417716955 /nfs/dbraw/zinc/71/69/55/1417716955.db2.gz BCXDGCQJLKOENR-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001713137122 1417719822 /nfs/dbraw/zinc/71/98/22/1417719822.db2.gz UZGFJQXUMXCRJY-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001713140621 1417722574 /nfs/dbraw/zinc/72/25/74/1417722574.db2.gz ISMBXJGUTZUTNX-OTWHNJEPSA-N 2 0 335.536 3.116 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001713141177 1417723229 /nfs/dbraw/zinc/72/32/29/1417723229.db2.gz CEZLPAYECGIDQP-KDURUIRLSA-N 2 0 347.547 3.118 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713169952 1417743148 /nfs/dbraw/zinc/74/31/48/1417743148.db2.gz PHZSIQRPHVFUOP-IOIJZZRGSA-N 2 0 335.536 3.233 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713240743 1417827110 /nfs/dbraw/zinc/82/71/10/1417827110.db2.gz PFPORWBQAKDJDK-UNQUKWGNSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713241641 1417827389 /nfs/dbraw/zinc/82/73/89/1417827389.db2.gz IPPMWFDEHBSUEZ-QUCCMNQESA-N 2 0 345.531 3.308 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1cc(C)ccc1C ZINC001733063635 1429215171 /nfs/dbraw/zinc/21/51/71/1429215171.db2.gz XNIABJMGHPJUNL-ROUUACIJSA-N 2 0 333.520 3.143 10 0 EGAERP CCCCCC[NH2+]C1CCC(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001713288813 1417915962 /nfs/dbraw/zinc/91/59/62/1417915962.db2.gz HYFMYGLCCJTBJY-YXWAVELNSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C ZINC001713321139 1417945615 /nfs/dbraw/zinc/94/56/15/1417945615.db2.gz IXNJFCHVBBVRAA-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001713365514 1417978356 /nfs/dbraw/zinc/97/83/56/1417978356.db2.gz KPEQATGCGURGIC-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713375955 1417986070 /nfs/dbraw/zinc/98/60/70/1417986070.db2.gz YGUDWIUFGLJMJF-MSOLQXFVSA-N 2 0 335.536 3.212 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001713382164 1417992575 /nfs/dbraw/zinc/99/25/75/1417992575.db2.gz OLRDUEHKXZOSBI-SJORKVTESA-N 2 0 325.541 3.170 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001713397960 1418016160 /nfs/dbraw/zinc/01/61/60/1418016160.db2.gz SQAZUOYTYXOQES-HXUWFJFHSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001713407345 1418030233 /nfs/dbraw/zinc/03/02/33/1418030233.db2.gz ATQNWSQDVOLBSF-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1 ZINC001713433237 1418062906 /nfs/dbraw/zinc/06/29/06/1418062906.db2.gz UGSOQOQSOXDYFI-KRWDZBQOSA-N 2 0 349.544 3.194 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CCC1=CCCCC1 ZINC001713496230 1418204715 /nfs/dbraw/zinc/20/47/15/1418204715.db2.gz NLGSVXGZLBLMKC-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713677650 1418429821 /nfs/dbraw/zinc/42/98/21/1418429821.db2.gz QACSDJAFQYUSQS-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001713693142 1418447535 /nfs/dbraw/zinc/44/75/35/1418447535.db2.gz XXWOZTQCXYAVHA-IBGZPJMESA-N 2 0 337.552 3.434 10 0 EGAERP CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001713719684 1418489778 /nfs/dbraw/zinc/48/97/78/1418489778.db2.gz FXRRUMQAZXSHAG-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713804931 1418617731 /nfs/dbraw/zinc/61/77/31/1418617731.db2.gz UENRHNCUKVTCMU-ZYHOBAKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001713930490 1418721087 /nfs/dbraw/zinc/72/10/87/1418721087.db2.gz DBZREUFUMTVCOZ-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001713935159 1418724734 /nfs/dbraw/zinc/72/47/34/1418724734.db2.gz IJVNCVGDFUVTDD-MOPGFXCFSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CC[NH+](C)C)cc1 ZINC001713936134 1418725234 /nfs/dbraw/zinc/72/52/34/1418725234.db2.gz PTTOTCSUWSWPGA-UXPWSPDFSA-N 2 0 343.515 3.108 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713953231 1418736670 /nfs/dbraw/zinc/73/66/70/1418736670.db2.gz YBGPFJLQZFICCQ-WROLPWGZSA-N 2 0 340.471 3.240 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713963763 1418743840 /nfs/dbraw/zinc/74/38/40/1418743840.db2.gz KSOMXCSGCHKCQP-OMNRABITSA-N 2 0 335.536 3.090 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)C1CCCCC1 ZINC001713998836 1418778493 /nfs/dbraw/zinc/77/84/93/1418778493.db2.gz WZBFCJCBDQEZMJ-KDURUIRLSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001714081773 1418875565 /nfs/dbraw/zinc/87/55/65/1418875565.db2.gz BVXIFVNISFMKMB-AZUAARDMSA-N 2 0 341.499 3.164 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001714106814 1418906769 /nfs/dbraw/zinc/90/67/69/1418906769.db2.gz MBRUHFZTEYLPMM-RTBURBONSA-N 2 0 349.494 3.073 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001714116552 1418919531 /nfs/dbraw/zinc/91/95/31/1418919531.db2.gz OLKJXXFZUAHYCU-PXPVJAHISA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001714155194 1418965182 /nfs/dbraw/zinc/96/51/82/1418965182.db2.gz FBIWRASFOXHEOJ-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH2+]C[C@](C)(NC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001714167436 1418976240 /nfs/dbraw/zinc/97/62/40/1418976240.db2.gz SAJNQZWPHBOEGE-FQEVSTJZSA-N 2 0 340.471 3.097 10 0 EGAERP CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001733197664 1429299980 /nfs/dbraw/zinc/29/99/80/1429299980.db2.gz IUOYGFICQAAIBM-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001714310478 1419090902 /nfs/dbraw/zinc/09/09/02/1419090902.db2.gz UNELLKCLEZJPJI-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001714313408 1419094045 /nfs/dbraw/zinc/09/40/45/1419094045.db2.gz JEHMRNJWOFFLHZ-CADBVGFASA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001714313411 1419094087 /nfs/dbraw/zinc/09/40/87/1419094087.db2.gz JEHMRNJWOFFLHZ-VJANTYMQSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]C/C=C\Cl)cc1 ZINC001714319616 1419098020 /nfs/dbraw/zinc/09/80/20/1419098020.db2.gz LUKYTESAHOEKET-JDTSAYOFSA-N 2 0 349.906 3.019 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C[NH2+]CCCC3CCC3)C2)C1 ZINC001714362417 1419123466 /nfs/dbraw/zinc/12/34/66/1419123466.db2.gz VELLNFXUGRUNQB-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001714363906 1419124501 /nfs/dbraw/zinc/12/45/01/1419124501.db2.gz JIIPAKKRKMDITD-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CCCc1ccc(C[N@H+](C)[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001714446617 1419178909 /nfs/dbraw/zinc/17/89/09/1419178909.db2.gz VDLDBGMBJZZZIC-HXUWFJFHSA-N 2 0 345.531 3.014 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001714472762 1419197903 /nfs/dbraw/zinc/19/79/03/1419197903.db2.gz VPKIITPAXATDHK-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001714497264 1419221776 /nfs/dbraw/zinc/22/17/76/1419221776.db2.gz HEBFBKOYNDENEW-UHFFFAOYSA-N 2 0 335.536 3.214 10 0 EGAERP CC(C)c1ccc(C[NH+](C)CCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001714542497 1419268015 /nfs/dbraw/zinc/26/80/15/1419268015.db2.gz IXMBEDASOJERAC-FQEVSTJZSA-N 2 0 345.531 3.231 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)[C@H](C)c1cccc(C)c1 ZINC001714585108 1419326632 /nfs/dbraw/zinc/32/66/32/1419326632.db2.gz WCBGHDLPMISISF-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001714812148 1419523118 /nfs/dbraw/zinc/52/31/18/1419523118.db2.gz LDNZTSWPBZKQHI-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](CC[C@H](C)F)C(C)C)ccc2c[nH+]cn21 ZINC001714824913 1419534751 /nfs/dbraw/zinc/53/47/51/1419534751.db2.gz CXIGVDMHBSVNRU-HNNXBMFYSA-N 2 0 348.466 3.221 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714869334 1419598583 /nfs/dbraw/zinc/59/85/83/1419598583.db2.gz FBHPNNAHBIIQOC-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001714914551 1419663256 /nfs/dbraw/zinc/66/32/56/1419663256.db2.gz VJVVGPNCBCADIG-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001733226545 1429352927 /nfs/dbraw/zinc/35/29/27/1429352927.db2.gz OLZZQGLILBSSSK-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001714995959 1419728348 /nfs/dbraw/zinc/72/83/48/1419728348.db2.gz CLFSMVLPCHTHMZ-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001715031417 1419763995 /nfs/dbraw/zinc/76/39/95/1419763995.db2.gz UEBUUFPYURNFSW-IBGZPJMESA-N 2 0 337.552 3.364 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001715032846 1419765738 /nfs/dbraw/zinc/76/57/38/1419765738.db2.gz UCCJMWJFCWSTAR-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001715075614 1419810629 /nfs/dbraw/zinc/81/06/29/1419810629.db2.gz OYJJETSMFHOABH-DLBZAZTESA-N 2 0 325.541 3.172 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001715139844 1419887214 /nfs/dbraw/zinc/88/72/14/1419887214.db2.gz ACQIMPDZRNUMOA-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715157879 1419900338 /nfs/dbraw/zinc/90/03/38/1419900338.db2.gz LYCXUIXBPKKSRL-FQEVSTJZSA-N 2 0 349.563 3.437 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001715159844 1419901207 /nfs/dbraw/zinc/90/12/07/1419901207.db2.gz WBOUUGNYUYZFDK-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001715176561 1419912191 /nfs/dbraw/zinc/91/21/91/1419912191.db2.gz BORRBPLBZIVCSD-WOQGQJNTSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001715301135 1420008722 /nfs/dbraw/zinc/00/87/22/1420008722.db2.gz CRJKANYDSIAKTB-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CC2CC2)CCCC1 ZINC001715301604 1420008886 /nfs/dbraw/zinc/00/88/86/1420008886.db2.gz HFYRFZQJKLBFHN-UHFFFAOYSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001715303784 1420012244 /nfs/dbraw/zinc/01/22/44/1420012244.db2.gz SJYMMPVMNQVMAN-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H]1CCCC[N@@H+]1CC)CC2 ZINC001715315590 1420024542 /nfs/dbraw/zinc/02/45/42/1420024542.db2.gz BXSWSCAZXIWHCA-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715437506 1420123364 /nfs/dbraw/zinc/12/33/64/1420123364.db2.gz YPOPSLBZFZMJQJ-BHIYHBOVSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CCC(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)CC1 ZINC001715447330 1420131248 /nfs/dbraw/zinc/13/12/48/1420131248.db2.gz GNRZOBLEHWQDDG-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC(C)(C)C ZINC001715482110 1420161018 /nfs/dbraw/zinc/16/10/18/1420161018.db2.gz WMIKZAKYYJPZPI-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[N@H+](C)CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001715483029 1420162048 /nfs/dbraw/zinc/16/20/48/1420162048.db2.gz UVODLVIKHKUBTG-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+](C)CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001715484072 1420164048 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349.563 3.077 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1)c1cccc(F)c1 ZINC001733256076 1429407270 /nfs/dbraw/zinc/40/72/70/1429407270.db2.gz PCWDYBZOVQKVJC-HNNXBMFYSA-N 2 0 349.494 3.103 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001715828640 1420358766 /nfs/dbraw/zinc/35/87/66/1420358766.db2.gz XSGWHQVRKFBCTC-ASEMBFHNSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001715854329 1420368819 /nfs/dbraw/zinc/36/88/19/1420368819.db2.gz ROEXLBCHIFQVPW-WLMCBFPDSA-N 2 0 347.478 3.023 10 0 EGAERP Cc1cc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001715927470 1420401660 /nfs/dbraw/zinc/40/16/60/1420401660.db2.gz GUMOYQDVNTVWKB-UYAOXDASSA-N 2 0 345.531 3.079 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715930313 1420402920 /nfs/dbraw/zinc/40/29/20/1420402920.db2.gz TYQFDZDYGDAMHV-UBZMYNMCSA-N 2 0 335.536 3.092 10 0 EGAERP 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CC[C@@H](C(=O)N1CC[C@@](C)(C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001716876330 1421002036 /nfs/dbraw/zinc/00/20/36/1421002036.db2.gz VFLFRLNQOTUVDM-FPOVZHCZSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001716995202 1421064907 /nfs/dbraw/zinc/06/49/07/1421064907.db2.gz NVJNAXAEYVDHQC-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001716995203 1421065135 /nfs/dbraw/zinc/06/51/35/1421065135.db2.gz NVJNAXAEYVDHQC-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717002680 1421072143 /nfs/dbraw/zinc/07/21/43/1421072143.db2.gz ZJVWPHBJWYQBKJ-BZSNNMDCSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001733284121 1429456727 /nfs/dbraw/zinc/45/67/27/1429456727.db2.gz KKLDEDQDXHYRIK-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CCF)cc1 ZINC001717117074 1421121273 /nfs/dbraw/zinc/12/12/73/1421121273.db2.gz ZUXDIRUALPICFD-APWZRJJASA-N 2 0 349.494 3.186 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001717120458 1421124265 /nfs/dbraw/zinc/12/42/65/1421124265.db2.gz CXDUIMNDKVNLSC-BRSBDYLESA-N 2 0 337.552 3.027 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)CC3CC[NH+](C)CC3)CCC2)CC1 ZINC001717158665 1421148176 /nfs/dbraw/zinc/14/81/76/1421148176.db2.gz DVAKINQUFFONOS-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001717159555 1421149315 /nfs/dbraw/zinc/14/93/15/1421149315.db2.gz KHIUBSCJDGEXHY-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717162697 1421152965 /nfs/dbraw/zinc/15/29/65/1421152965.db2.gz FKEDFRONMDGXMD-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)Cc1cc2ccccc2o1 ZINC001717215516 1421193258 /nfs/dbraw/zinc/19/32/58/1421193258.db2.gz MENAJYBIHSJSSH-UHFFFAOYSA-N 2 0 345.487 3.053 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC1(C)C ZINC001717311907 1421256905 /nfs/dbraw/zinc/25/69/05/1421256905.db2.gz LHDAZORLZXHAII-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733289229 1429466958 /nfs/dbraw/zinc/46/69/58/1429466958.db2.gz OSXRDRBKAGFYEI-IZRJCCQOSA-N 2 0 349.563 3.389 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717332693 1421268097 /nfs/dbraw/zinc/26/80/97/1421268097.db2.gz YKBHXPHICVZCMH-MJGOQNOKSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001717337266 1421274894 /nfs/dbraw/zinc/27/48/94/1421274894.db2.gz VLJFVYHSWDNEIS-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CCC1CCCCCC1 ZINC001717338094 1421275045 /nfs/dbraw/zinc/27/50/45/1421275045.db2.gz QCNVXILPBIMKEZ-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001717341073 1421278670 /nfs/dbraw/zinc/27/86/70/1421278670.db2.gz KMKYJJPUDBBTOR-AWEZNQCLSA-N 2 0 339.549 3.344 10 0 EGAERP CC(C)CC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001717348097 1421286929 /nfs/dbraw/zinc/28/69/29/1421286929.db2.gz UNEORWYWPWMGQT-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001717370886 1421309839 /nfs/dbraw/zinc/30/98/39/1421309839.db2.gz KLFVCUFOHMPJSY-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)CC1CC1)c1ccccc1 ZINC001717374308 1421315493 /nfs/dbraw/zinc/31/54/93/1421315493.db2.gz NSGLSXBWTVGLPN-VQTJNVASSA-N 2 0 343.515 3.012 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC2(CCC2)C1 ZINC001717374845 1421315705 /nfs/dbraw/zinc/31/57/05/1421315705.db2.gz RICHGQLCBGMOND-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]CCC1CCCC1 ZINC001717411481 1421343416 /nfs/dbraw/zinc/34/34/16/1421343416.db2.gz SXUABRIUHQNYQF-IRXDYDNUSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001717432879 1421360945 /nfs/dbraw/zinc/36/09/45/1421360945.db2.gz MKOLCHGCHZWYAD-DLBZAZTESA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001733294861 1429476441 /nfs/dbraw/zinc/47/64/41/1429476441.db2.gz TYWBGEATUCZXNY-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001717474837 1421408176 /nfs/dbraw/zinc/40/81/76/1421408176.db2.gz UWVLMALGQUTFRQ-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485636 1421421958 /nfs/dbraw/zinc/42/19/58/1421421958.db2.gz PUIKKXIFBVFOCH-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1cccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001717490022 1421427661 /nfs/dbraw/zinc/42/76/61/1421427661.db2.gz DMAQKIOSDKBPNO-ICSRJNTNSA-N 2 0 345.531 3.194 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@H](C)c1cc(C)ccc1C ZINC001717494670 1421434600 /nfs/dbraw/zinc/43/46/00/1421434600.db2.gz NMFQDPTZCIDXQU-QZTJIDSGSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1=CCCCC1 ZINC001717511896 1421448482 /nfs/dbraw/zinc/44/84/82/1421448482.db2.gz NQZQSLAHQVUXFI-UXHICEINSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717547970 1421487042 /nfs/dbraw/zinc/48/70/42/1421487042.db2.gz CYESAKBMVILOLA-JTGQJZMRSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717547969 1421487259 /nfs/dbraw/zinc/48/72/59/1421487259.db2.gz CYESAKBMVILOLA-DKRLNXSXSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001717590109 1421518731 /nfs/dbraw/zinc/51/87/31/1421518731.db2.gz VWMYUWQZPMMXBV-IEBWSBKVSA-N 2 0 345.531 3.223 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CC3)C[C@@H]2C1 ZINC001717623168 1421532223 /nfs/dbraw/zinc/53/22/23/1421532223.db2.gz KTHKPIYHBIKJFY-OTWHNJEPSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+](C)C)C[C@@]2(C)C1 ZINC001717631148 1421540410 /nfs/dbraw/zinc/54/04/10/1421540410.db2.gz NVIZYVARYHRVPH-BGYRXZFFSA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)C(C)C)C[C@@]2(C)C1 ZINC001717632928 1421542934 /nfs/dbraw/zinc/54/29/34/1421542934.db2.gz WOJPXEDRWBHZDW-QIAVYIFCSA-N 2 0 349.563 3.243 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001717667688 1421558395 /nfs/dbraw/zinc/55/83/95/1421558395.db2.gz LHFVFFDQYTYIIR-UYAOXDASSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001717742613 1421606032 /nfs/dbraw/zinc/60/60/32/1421606032.db2.gz ZDMHHPQOKQOACW-VQTJNVASSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@]12CCC[C@@H]1[N@H+](CC1CCCC1)CC2 ZINC001717839625 1421654128 /nfs/dbraw/zinc/65/41/28/1421654128.db2.gz BNNAYIHGHWZXKS-PZJWPPBQSA-N 2 0 347.547 3.166 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001717875673 1421682643 /nfs/dbraw/zinc/68/26/43/1421682643.db2.gz TXMPGCNNWSUULF-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001717959768 1421731432 /nfs/dbraw/zinc/73/14/32/1421731432.db2.gz RFZFGHCJYGRWHW-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001733354139 1429534578 /nfs/dbraw/zinc/53/45/78/1429534578.db2.gz ZPYVSFSJTVKWBQ-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C[NH+]2CC[C@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406030 1429603276 /nfs/dbraw/zinc/60/32/76/1429603276.db2.gz LCDSXFJZVMHQCR-HKUYNNGSSA-N 2 0 349.544 3.012 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001733440685 1429647894 /nfs/dbraw/zinc/64/78/94/1429647894.db2.gz JGAPJYWLQVUSCM-TZIWHRDSSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001733453583 1429667743 /nfs/dbraw/zinc/66/77/43/1429667743.db2.gz MJEQWNRYGSKFBB-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001733469602 1429703638 /nfs/dbraw/zinc/70/36/38/1429703638.db2.gz XTJQNHMRYAAWPQ-QUCCMNQESA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C[NH+]1CCC(C)CC1 ZINC001722950450 1424273817 /nfs/dbraw/zinc/27/38/17/1424273817.db2.gz ADROTMXAGOCXCP-OALUTQOASA-N 2 0 337.552 3.173 10 0 EGAERP CN(CCC[NH2+]Cc1ccsc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001723040815 1424292269 /nfs/dbraw/zinc/29/22/69/1424292269.db2.gz YISXQLDIYJKIPK-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001723649860 1424515561 /nfs/dbraw/zinc/51/55/61/1424515561.db2.gz YOJMLJMRVUZPTL-KRWDZBQOSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[NH+]1CCC2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)CC1 ZINC001723699801 1424537725 /nfs/dbraw/zinc/53/77/25/1424537725.db2.gz RXHCQZLBLNXEDT-UHFFFAOYSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@@H](C)C1 ZINC001723859866 1424588381 /nfs/dbraw/zinc/58/83/81/1424588381.db2.gz HHGJIBHABDGONF-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733535504 1429742028 /nfs/dbraw/zinc/74/20/28/1429742028.db2.gz BPLXAWJUXILOQR-AZUAARDMSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001724094693 1424658556 /nfs/dbraw/zinc/65/85/56/1424658556.db2.gz JOJYMCCDQHKDFQ-WMZOPIPTSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@]2(C)CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001724174386 1424709489 /nfs/dbraw/zinc/70/94/89/1424709489.db2.gz HURMNQRCKUCFLG-NRFANRHFSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]1(C)CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001724180507 1424715558 /nfs/dbraw/zinc/71/55/58/1424715558.db2.gz WXQWOBKQUFKNHC-NRFANRHFSA-N 2 0 345.531 3.232 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724302726 1424786964 /nfs/dbraw/zinc/78/69/64/1424786964.db2.gz NMSZGWIACBHWGK-AATRIKPKSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001724532935 1424897726 /nfs/dbraw/zinc/89/77/26/1424897726.db2.gz GIZZYFHUNMDKJP-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724541138 1424902489 /nfs/dbraw/zinc/90/24/89/1424902489.db2.gz VBBDYUGRALWENJ-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001724555062 1424910596 /nfs/dbraw/zinc/91/05/96/1424910596.db2.gz PTTLNXBGULFOKG-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001724618449 1424968587 /nfs/dbraw/zinc/96/85/87/1424968587.db2.gz VQBGCOZAKKEPJT-FQEVSTJZSA-N 2 0 345.531 3.135 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001724653351 1425016751 /nfs/dbraw/zinc/01/67/51/1425016751.db2.gz QJEZWFCCDREJKY-SWCPTZIKSA-N 2 0 349.563 3.384 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001724741270 1425105714 /nfs/dbraw/zinc/10/57/14/1425105714.db2.gz IOBRJUOIYACXGF-PKKYDLFWSA-N 2 0 343.515 3.404 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001724849566 1425209938 /nfs/dbraw/zinc/20/99/38/1425209938.db2.gz VMDBEHZAZXTJAS-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001724867964 1425251453 /nfs/dbraw/zinc/25/14/53/1425251453.db2.gz OEJSEBVCQFMPFK-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001724893512 1425283092 /nfs/dbraw/zinc/28/30/92/1425283092.db2.gz WGMJYOKCEGLDEY-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724957557 1425344521 /nfs/dbraw/zinc/34/45/21/1425344521.db2.gz MKIQJTWYWJSOJK-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001724960371 1425348298 /nfs/dbraw/zinc/34/82/98/1425348298.db2.gz BKVLMBOSIDQIRR-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C)[NH+]1CCCCC1 ZINC001724979638 1425380928 /nfs/dbraw/zinc/38/09/28/1425380928.db2.gz NLMKKQLGWNVNTG-ZWKOTPCHSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@H](C)C1 ZINC001724997294 1425403459 /nfs/dbraw/zinc/40/34/59/1425403459.db2.gz AREZECCUTVHCQL-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001725089561 1425531328 /nfs/dbraw/zinc/53/13/28/1425531328.db2.gz LCBLBYOTZXOEMD-DLBZAZTESA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001725105618 1425555069 /nfs/dbraw/zinc/55/50/69/1425555069.db2.gz GTRBNMREJPSGEU-JKSUJKDBSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001725129961 1425598053 /nfs/dbraw/zinc/59/80/53/1425598053.db2.gz FKCCEIGEZGEXSJ-MHJFOBGBSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]([NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1)c1ccccc1F ZINC001725137694 1425613446 /nfs/dbraw/zinc/61/34/46/1425613446.db2.gz IJFRNJCAORZTLJ-GTPINHCMSA-N 2 0 349.494 3.198 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1)[NH+](CC)CC ZINC001725139367 1425616991 /nfs/dbraw/zinc/61/69/91/1425616991.db2.gz YDMLULSFJXAIAF-PPOUXDMQSA-N 2 0 343.943 3.219 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](CCN(C)C(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001725214628 1425779055 /nfs/dbraw/zinc/77/90/55/1425779055.db2.gz QTYBECQMHFYZAE-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001725238370 1425834004 /nfs/dbraw/zinc/83/40/04/1425834004.db2.gz HCWVNXNQMJMSFX-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247373 1425866429 /nfs/dbraw/zinc/86/64/29/1425866429.db2.gz IMUFGYQUHDZQRW-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725302211 1425951386 /nfs/dbraw/zinc/95/13/86/1425951386.db2.gz ZINASVKLCHSGDG-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3CC[NH+](C)CC3)C[C@H]2C1 ZINC001725339302 1425987519 /nfs/dbraw/zinc/98/75/19/1425987519.db2.gz SHBOOOHFFVYKQC-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001725362029 1426012346 /nfs/dbraw/zinc/01/23/46/1426012346.db2.gz XXGLBFVZIYVCBC-VJANTYMQSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CCC[NH2+]Cc2cccc(C)c2)CC[N@@H+]1C ZINC001725386473 1426033568 /nfs/dbraw/zinc/03/35/68/1426033568.db2.gz LMGUELKBFUMRSV-YZGWKJHDSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725395174 1426041362 /nfs/dbraw/zinc/04/13/62/1426041362.db2.gz POLALPNVZUBTDT-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001725420779 1426068832 /nfs/dbraw/zinc/06/88/32/1426068832.db2.gz PFMGHVSRMXNDGH-UNQUKWGNSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001725437843 1426099708 /nfs/dbraw/zinc/09/97/08/1426099708.db2.gz DPCPJICRAWDTFP-PMACEKPBSA-N 2 0 345.531 3.495 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725504844 1426186568 /nfs/dbraw/zinc/18/65/68/1426186568.db2.gz PHKPESZCMIKNOW-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@H](C)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001725510832 1426198144 /nfs/dbraw/zinc/19/81/44/1426198144.db2.gz KADJVHUUAIJDNT-ROUUACIJSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H]1[C@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001725574227 1426232551 /nfs/dbraw/zinc/23/25/51/1426232551.db2.gz JGGYKCISCZWLPS-JXYKKQOOSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1ccc(C)c(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c1 ZINC001725623868 1426290855 /nfs/dbraw/zinc/29/08/55/1426290855.db2.gz JJMPVRWSJACMGV-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP C[C@@H]([NH2+][C@H]1CN(C(=O)CCCC[NH+](C)C)CC1(C)C)c1ccccc1 ZINC001725680812 1426368579 /nfs/dbraw/zinc/36/85/79/1426368579.db2.gz WPAMKSRPUNATCU-MJGOQNOKSA-N 2 0 345.531 3.306 10 0 EGAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)c2cccc3nccn32)CC1 ZINC001725831786 1426510897 /nfs/dbraw/zinc/51/08/97/1426510897.db2.gz ICYCUUMKCZFACI-ONEGZZNKSA-N 2 0 338.455 3.053 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC1CC1 ZINC001731261417 1427209791 /nfs/dbraw/zinc/20/97/91/1427209791.db2.gz UPBHPDVOYQEBBC-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCCC[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001731263477 1427212083 /nfs/dbraw/zinc/21/20/83/1427212083.db2.gz UNAGAGRMDTVKFZ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1C[N@H+](C)CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731278469 1427222999 /nfs/dbraw/zinc/22/29/99/1427222999.db2.gz UZBRGVWLTOLLCT-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1ccc(C)c(C[NH+](C)CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001731284761 1427227842 /nfs/dbraw/zinc/22/78/42/1427227842.db2.gz NJMIPCUWSCFUHX-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)CCC1=CCCCC1 ZINC001731284956 1427228748 /nfs/dbraw/zinc/22/87/48/1427228748.db2.gz QHLKXJVMMNDRJB-QZTJIDSGSA-N 2 0 335.536 3.188 10 0 EGAERP CN(C(=O)[C@@H]1C[NH+]2CCC1CC2)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001731347399 1427285040 /nfs/dbraw/zinc/28/50/40/1427285040.db2.gz GWOCIZHCYIPPPA-LJQANCHMSA-N 2 0 349.563 3.077 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001731387473 1427335988 /nfs/dbraw/zinc/33/59/88/1427335988.db2.gz HTWDNMIBVGSJDA-QUCCMNQESA-N 2 0 349.563 3.362 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001731399727 1427358720 /nfs/dbraw/zinc/35/87/20/1427358720.db2.gz VMUIHIRGJMBGOG-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCC2)C1 ZINC001731424298 1427404360 /nfs/dbraw/zinc/40/43/60/1427404360.db2.gz ICGZAXIUXYQPSK-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001731435983 1427417659 /nfs/dbraw/zinc/41/76/59/1427417659.db2.gz NAJLUUBLNPUJGD-XOUUWWQPSA-N 2 0 343.515 3.226 10 0 EGAERP CCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731469321 1427449778 /nfs/dbraw/zinc/44/97/78/1427449778.db2.gz YJBJJMYZOKMLRC-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCC[C@@H](CNC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001731507609 1427495270 /nfs/dbraw/zinc/49/52/70/1427495270.db2.gz VVEKSFCQSSIFFR-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001731571390 1427612305 /nfs/dbraw/zinc/61/23/05/1427612305.db2.gz GEDKGEHLPHAYOL-SOAGJPPSSA-N 2 0 345.531 3.324 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594529 1427636497 /nfs/dbraw/zinc/63/64/97/1427636497.db2.gz IDLNXRMEVNJPCH-FXAWDEMLSA-N 2 0 345.531 3.279 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001731639316 1427697371 /nfs/dbraw/zinc/69/73/71/1427697371.db2.gz FWMCNRJEGFTTLF-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CCC(C)CC1 ZINC001731641602 1427702029 /nfs/dbraw/zinc/70/20/29/1427702029.db2.gz UIZALYHTJIARFJ-XBMUEBEBSA-N 2 0 337.552 3.173 10 0 EGAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731720599 1427789081 /nfs/dbraw/zinc/78/90/81/1427789081.db2.gz NOZBAMZDNZECOP-UXHICEINSA-N 2 0 345.531 3.402 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001731721605 1427791523 /nfs/dbraw/zinc/79/15/23/1427791523.db2.gz VLBOFDCUBKOSBQ-CTWPCTMYSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001731754888 1427853666 /nfs/dbraw/zinc/85/36/66/1427853666.db2.gz DVUZSVRBAIGESE-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CCC[NH+]2CCCC(C)C)C1 ZINC001731832229 1428043417 /nfs/dbraw/zinc/04/34/17/1428043417.db2.gz XBVRGAKUVCHXRK-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001731840977 1428062757 /nfs/dbraw/zinc/06/27/57/1428062757.db2.gz IANGUQRCKNGPNM-CQQBRXBZSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731853937 1428085574 /nfs/dbraw/zinc/08/55/74/1428085574.db2.gz ATXDAELJRBSJFS-XOIGSVRCSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731853934 1428085664 /nfs/dbraw/zinc/08/56/64/1428085664.db2.gz ATXDAELJRBSJFS-NYQZOWANSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccccc1C[NH+]1CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731861015 1428100003 /nfs/dbraw/zinc/10/00/03/1428100003.db2.gz PXZOVEIMAKJWAZ-SFHVURJKSA-N 2 0 345.531 3.088 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)CC1=CCCCC1 ZINC001731864164 1428108422 /nfs/dbraw/zinc/10/84/22/1428108422.db2.gz GBDXUWPJIMFIAD-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)(C(=O)NCC[N@H+](CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001731877798 1428144353 /nfs/dbraw/zinc/14/43/53/1428144353.db2.gz ZWRPBNHAYLOOCN-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)(C)CC[N@H+](CCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C1CC1 ZINC001731878200 1428145547 /nfs/dbraw/zinc/14/55/47/1428145547.db2.gz VFVANKJPUCSKKC-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001731882628 1428154169 /nfs/dbraw/zinc/15/41/69/1428154169.db2.gz PTZOEUWIKCVWIL-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC001731950424 1428180629 /nfs/dbraw/zinc/18/06/29/1428180629.db2.gz WGHSQDCYXVPIHQ-LBPRGKRZSA-N 2 0 346.302 3.054 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@H](CC[NH2+]CCC(C)(C)C)C1 ZINC001733651487 1429844464 /nfs/dbraw/zinc/84/44/64/1429844464.db2.gz ILDQPBXLTDLPPT-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001733661432 1429854163 /nfs/dbraw/zinc/85/41/63/1429854163.db2.gz OZDUJCLPQAFPJO-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664842 1429858283 /nfs/dbraw/zinc/85/82/83/1429858283.db2.gz CVPBPYOIDGHSGL-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001733691514 1429907884 /nfs/dbraw/zinc/90/78/84/1429907884.db2.gz IRIJTQRKMYYTFX-YJTGKBQXSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NCC1([NH2+]CCC2CC2)CCC1 ZINC001733718704 1429938605 /nfs/dbraw/zinc/93/86/05/1429938605.db2.gz GZXUEKYDFLHZRZ-UHFFFAOYSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001733781186 1430045453 /nfs/dbraw/zinc/04/54/53/1430045453.db2.gz DAIJQOOBKSHRSJ-RLLQIKCJSA-N 2 0 349.563 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(CC)([NH2+]CC(C)C)CC2)C1 ZINC001733804698 1430073959 /nfs/dbraw/zinc/07/39/59/1430073959.db2.gz FRSBYVXLYIWSBC-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001733809876 1430085745 /nfs/dbraw/zinc/08/57/45/1430085745.db2.gz YZNNOZYGQRSGHC-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1C[N@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]1C ZINC001733899279 1437717369 /nfs/dbraw/zinc/71/73/69/1437717369.db2.gz GJMKLTZYPDVVDW-QUCCMNQESA-N 2 0 345.531 3.196 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001733911062 1437729337 /nfs/dbraw/zinc/72/93/37/1437729337.db2.gz ITOAZLCOKIOTMC-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001733929796 1437743187 /nfs/dbraw/zinc/74/31/87/1437743187.db2.gz KBQHCWKVVOOBQY-OXUXSNCKSA-N 2 0 335.536 3.138 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC001733996263 1437789847 /nfs/dbraw/zinc/78/98/47/1437789847.db2.gz DKDNHEIFDQBFNX-RTBURBONSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH+](C)CCC1CCCCCC1 ZINC001734037921 1437826283 /nfs/dbraw/zinc/82/62/83/1437826283.db2.gz JJXGIQULZAOGTL-ZHALLVOQSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)[C@H]1CCc2ccccc21 ZINC001734053168 1437843659 /nfs/dbraw/zinc/84/36/59/1437843659.db2.gz JQJABECIDDGNRL-LPHOPBHVSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001734060480 1437853958 /nfs/dbraw/zinc/85/39/58/1437853958.db2.gz UUWDTNSGEJJRHT-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)C[NH2+][C@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734078663 1437866253 /nfs/dbraw/zinc/86/62/53/1437866253.db2.gz AUFOZTBHTGYRHO-RTBURBONSA-N 2 0 339.568 3.370 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC001734103714 1437888761 /nfs/dbraw/zinc/88/87/61/1437888761.db2.gz LTXUNYZNJJAQEG-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001734148754 1437916526 /nfs/dbraw/zinc/91/65/26/1437916526.db2.gz VFMPBNMJUONAEZ-MSOLQXFVSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001734155951 1437922652 /nfs/dbraw/zinc/92/26/52/1437922652.db2.gz ZSYDHYRTCZSCQK-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001734192277 1437933678 /nfs/dbraw/zinc/93/36/78/1437933678.db2.gz CHSBBJCIFWLKRX-XUVXKRRUSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001734299577 1438030726 /nfs/dbraw/zinc/03/07/26/1438030726.db2.gz CDTHKPZYPXBJHR-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC(C)(C)C ZINC001734336261 1438058417 /nfs/dbraw/zinc/05/84/17/1438058417.db2.gz ZJMXIJJOTRPYIA-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734338977 1438059870 /nfs/dbraw/zinc/05/98/70/1438059870.db2.gz JGKOSSSCHWNQIW-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001734438948 1438101227 /nfs/dbraw/zinc/10/12/27/1438101227.db2.gz OMKKSTVXAYDQEK-YLJYHZDGSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001734444436 1438105712 /nfs/dbraw/zinc/10/57/12/1438105712.db2.gz NVLJPWAEGSPPMB-KWOGNLBTSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001734455301 1438112946 /nfs/dbraw/zinc/11/29/46/1438112946.db2.gz DVGXYCSLEDITAD-IEBWSBKVSA-N 2 0 349.563 3.266 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001734482650 1438127788 /nfs/dbraw/zinc/12/77/88/1438127788.db2.gz JTZLRLQRYLVTMG-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001734494742 1438132000 /nfs/dbraw/zinc/13/20/00/1438132000.db2.gz BYIXSONJXDACAQ-FAPWYTRCSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC(C)(C)C)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734554301 1438153068 /nfs/dbraw/zinc/15/30/68/1438153068.db2.gz HRUYDQCUMHUXBY-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C(C)(C)C)c1ccccc1 ZINC001734575972 1438169240 /nfs/dbraw/zinc/16/92/40/1438169240.db2.gz XRMKKESQWHKXIU-MOPGFXCFSA-N 2 0 345.531 3.210 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)CC[NH+]1CCCCC1)C(C)(C)C ZINC001734576422 1438169428 /nfs/dbraw/zinc/16/94/28/1438169428.db2.gz OBBHMZZMWOYIRV-IAGOWNOFSA-N 2 0 325.541 3.029 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H](NC(=O)C[NH+]2CCCC2)C(C)(C)C)c1 ZINC001734577283 1438170053 /nfs/dbraw/zinc/17/00/53/1438170053.db2.gz XMOIBYNABUXCGV-LJQANCHMSA-N 2 0 345.531 3.020 10 0 EGAERP CCCCC[NH+]1CCC([C@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001734584090 1438174570 /nfs/dbraw/zinc/17/45/70/1438174570.db2.gz JJSJYJLBBHHEMK-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001734603694 1438184500 /nfs/dbraw/zinc/18/45/00/1438184500.db2.gz BQQGGLHVEMDBMK-CTWPCTMYSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CC2)CC1 ZINC001734603551 1438184516 /nfs/dbraw/zinc/18/45/16/1438184516.db2.gz GMMNDBIIVSYBMJ-ROUUACIJSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)CCC[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734604064 1438184860 /nfs/dbraw/zinc/18/48/60/1438184860.db2.gz MZANTBCGHYMKSC-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001734605172 1438185426 /nfs/dbraw/zinc/18/54/26/1438185426.db2.gz XSTHQKHWINPVFZ-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001750943942 1440117512 /nfs/dbraw/zinc/11/75/12/1440117512.db2.gz IQMDUCJYHXFOKR-QZTJIDSGSA-N 2 0 337.552 3.146 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001750944451 1440117636 /nfs/dbraw/zinc/11/76/36/1440117636.db2.gz LSVJCERTYBKIME-SFHVURJKSA-N 2 0 337.552 3.291 10 0 EGAERP Cc1cc(N2CCC[N@H+](Cc3ccc4cccc(O)c4n3)CC2)cc[nH+]1 ZINC000067894978 215243635 /nfs/dbraw/zinc/24/36/35/215243635.db2.gz ZPIRZMZAXAPFMB-UHFFFAOYSA-N 2 0 348.450 3.356 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530225469 313501246 /nfs/dbraw/zinc/50/12/46/313501246.db2.gz ZXEZFMYVRZDZML-XPTSAGLGSA-N 2 0 333.220 3.334 10 0 EGAERP C[NH+]1CCC(C[NH2+]C[C@@H]2C[C@@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000348258110 282694701 /nfs/dbraw/zinc/69/47/01/282694701.db2.gz KCAOMVMNRRCJJZ-LEWJYISDSA-N 2 0 341.543 3.330 10 0 EGAERP Cc1ccc(CCC[NH+]2CCN(C[C@H]3CCCC[N@H+]3C)CC2)cc1 ZINC000181861397 234356383 /nfs/dbraw/zinc/35/63/83/234356383.db2.gz WUSVQRNWMZCOIE-OAQYLSRUSA-N 2 0 329.532 3.030 10 0 EGAERP CCCOc1ccc(Br)cc1C[NH2+]CC1CC[NH2+]CC1 ZINC000020967830 212193681 /nfs/dbraw/zinc/19/36/81/212193681.db2.gz UQOVPAPISCLREP-UHFFFAOYSA-N 2 0 341.293 3.327 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cc(Cl)ccc2F)CC1 ZINC000179517178 533664948 /nfs/dbraw/zinc/66/49/48/533664948.db2.gz DZUVSYACDWIWFC-CYBMUJFWSA-N 2 0 328.859 3.004 10 0 EGAERP Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000246895117 141042541 /nfs/dbraw/zinc/04/25/41/141042541.db2.gz MDOZOZDUTIDDKM-ROUUACIJSA-N 2 0 331.504 3.437 10 0 EGAERP Cc1nnc([C@H](C)N2CCC[C@H](c3ncc4n3CCCC4)C2)s1 ZINC000338361044 141107277 /nfs/dbraw/zinc/10/72/77/141107277.db2.gz LJPKZKZOCSOKDR-JSGCOSHPSA-N 2 0 331.489 3.320 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000339500659 141123928 /nfs/dbraw/zinc/12/39/28/141123928.db2.gz RTXXPTLKVVNEFI-UHFFFAOYSA-N 2 0 326.488 3.443 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@@H](CCO)c1ccccc1 ZINC000346199078 141178734 /nfs/dbraw/zinc/17/87/34/141178734.db2.gz KSBKUGAXFDRMSC-FQEVSTJZSA-N 2 0 336.439 3.131 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[NH+](C3CC3)C2)cc1 ZINC000347904953 141213078 /nfs/dbraw/zinc/21/30/78/141213078.db2.gz XWYXUMWFMSWGCV-FQEVSTJZSA-N 2 0 343.515 3.227 10 0 EGAERP COC[C@H]([NH2+]C[C@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000187891983 144166214 /nfs/dbraw/zinc/16/62/14/144166214.db2.gz JANFSWHITRFNQT-RTWAWAEBSA-N 2 0 346.515 3.072 10 0 EGAERP CC(C)[C@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000115417306 152011803 /nfs/dbraw/zinc/01/18/03/152011803.db2.gz GNRFPJGRPSFXGC-LJQANCHMSA-N 2 0 349.494 3.014 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341557336 155352459 /nfs/dbraw/zinc/35/24/59/155352459.db2.gz DFDZJNHFYSOAFG-MSOLQXFVSA-N 2 0 349.544 3.002 10 0 EGAERP c1ccc(N2CCC([NH2+]CCCc3ccc4c(c3)CCO4)CC2)nc1 ZINC000193270464 153284897 /nfs/dbraw/zinc/28/48/97/153284897.db2.gz RUIPUCJGAGSCSG-UHFFFAOYSA-N 2 0 337.467 3.208 10 0 EGAERP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000195004990 153371690 /nfs/dbraw/zinc/37/16/90/153371690.db2.gz DLMDCHNLOWSKMP-SFHVURJKSA-N 2 0 326.440 3.013 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3CCC[C@H](C)C3)cn2)CC1 ZINC000350897118 165077930 /nfs/dbraw/zinc/07/79/30/165077930.db2.gz NXBCSTKRYOVTIH-ROUUACIJSA-N 2 0 330.520 3.139 10 0 EGAERP Cn1nccc1[C@H]1CCC[C@@H]([NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)C1 ZINC000366732345 168133581 /nfs/dbraw/zinc/13/35/81/168133581.db2.gz WKHISZKETOKOSM-FUHWJXTLSA-N 2 0 344.478 3.437 10 0 EGAERP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000367584798 168245771 /nfs/dbraw/zinc/24/57/71/168245771.db2.gz BTDHZMVTMFESKN-IPMKNSEASA-N 2 0 329.488 3.388 10 0 EGAERP C[C@H](C(=O)Nc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000175197259 265101152 /nfs/dbraw/zinc/10/11/52/265101152.db2.gz GTBAZNADMALTOE-QGZVFWFLSA-N 2 0 329.488 3.485 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@@H](C)c1cc(Br)cs1 ZINC000194020489 266084365 /nfs/dbraw/zinc/08/43/65/266084365.db2.gz DYONUIPBEWJDRT-AAEUAGOBSA-N 2 0 347.322 3.272 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2C[C@@H]2c2ccccc2)CC1 ZINC000274499539 267248008 /nfs/dbraw/zinc/24/80/08/267248008.db2.gz HPOILARRUWELBD-KOUHRCEDSA-N 2 0 327.516 3.033 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358942183 275063376 /nfs/dbraw/zinc/06/33/76/275063376.db2.gz MVIKVIFCAKJCET-OXJNMPFZSA-N 2 0 336.483 3.324 10 0 EGAERP CSCCCC[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000150946687 307726190 /nfs/dbraw/zinc/72/61/90/307726190.db2.gz YODPBIKGXJELMN-UHFFFAOYSA-N 2 0 335.561 3.450 10 0 EGAERP C[C@H](CCc1cccc(F)c1)[N@@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000248385536 308001317 /nfs/dbraw/zinc/00/13/17/308001317.db2.gz IXMMSUIXZQPJOP-SJORKVTESA-N 2 0 336.495 3.171 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000248413352 308002448 /nfs/dbraw/zinc/00/24/48/308002448.db2.gz GBELUUYWXJZPFY-HOTGVXAUSA-N 2 0 341.499 3.355 10 0 EGAERP C[N@H+](C[C@@H](O)CC1CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248971414 308015929 /nfs/dbraw/zinc/01/59/29/308015929.db2.gz CQMRQSCWKLOEDZ-RTWAWAEBSA-N 2 0 330.516 3.382 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3sc(Br)cc32)C1 ZINC000293728542 308156600 /nfs/dbraw/zinc/15/66/00/308156600.db2.gz MVBLFTCBLWILSM-PWSUYJOCSA-N 2 0 329.307 3.429 10 0 EGAERP CC(C)C[C@H]([NH3+])CN1CCC2(CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000414760986 309099293 /nfs/dbraw/zinc/09/92/93/309099293.db2.gz ZPYSXTZCGXGDGC-FQEVSTJZSA-N 2 0 329.532 3.348 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821664 309103774 /nfs/dbraw/zinc/10/37/74/309103774.db2.gz BJPWGLQOFKOUEV-ZEIJEMSESA-N 2 0 341.268 3.392 10 0 EGAERP [NH3+]C1(CNC2CC[NH+](CCc3ccc(F)cc3)CC2)CCCCCC1 ZINC000414862038 309106135 /nfs/dbraw/zinc/10/61/35/309106135.db2.gz UJXUDMYXZDJNGG-UHFFFAOYSA-N 2 0 347.522 3.474 10 0 EGAERP COC[C@]1(C[NH2+][C@@H]2CCC[C@@H]2c2ccc(OC(C)C)cc2)CCC[NH2+]1 ZINC000414942701 309110368 /nfs/dbraw/zinc/11/03/68/309110368.db2.gz KNMMXUTUHPLBGV-NJDAHSKKSA-N 2 0 346.515 3.468 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414943383 309110473 /nfs/dbraw/zinc/11/04/73/309110473.db2.gz NSTLDDUYVYGEJR-IAQYHMDHSA-N 2 0 338.377 3.183 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)c(-c2ccccc2)cc1OC ZINC000414943865 309110539 /nfs/dbraw/zinc/11/05/39/309110539.db2.gz OMAITMRQSKWKJV-HNAYVOBHSA-N 2 0 340.467 3.458 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000415040003 309115839 /nfs/dbraw/zinc/11/58/39/309115839.db2.gz JMFSOQOZTPIPAB-RDJZCZTQSA-N 2 0 328.485 3.169 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](CCC[NH3+])c1ccccc1 ZINC000415046531 309116280 /nfs/dbraw/zinc/11/62/80/309116280.db2.gz CRNIZDLLJULGCM-HXUWFJFHSA-N 3 0 335.455 3.146 10 0 EGAERP COc1cc(C[NH2+][C@@H](CCC[NH3+])c2ccccc2)cc2c1OCCO2 ZINC000415049995 309116553 /nfs/dbraw/zinc/11/65/53/309116553.db2.gz IALNHUMDGGLSSO-KRWDZBQOSA-N 2 0 342.439 3.036 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NC[C@@H](C2CCCCC2)[NH+](C)C)cc1 ZINC000417019814 309189922 /nfs/dbraw/zinc/18/99/22/309189922.db2.gz RGTDHVYMDVILFT-BEFAXECRSA-N 2 0 346.519 3.016 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@@H]1C1CCC1 ZINC000418126506 309236502 /nfs/dbraw/zinc/23/65/02/309236502.db2.gz LNFVTJLJHJSQBI-GOSISDBHSA-N 2 0 328.485 3.293 10 0 EGAERP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc([C@H](C)[NH3+])cc1 ZINC000418497274 309247460 /nfs/dbraw/zinc/24/74/60/309247460.db2.gz VYGZNESQHVGQPX-KRWDZBQOSA-N 2 0 346.519 3.114 10 0 EGAERP COCc1cccc(OCC2(C[NH2+][C@@H]3CC[NH2+]CC3(C)C)CCC2)c1 ZINC000420359185 309284112 /nfs/dbraw/zinc/28/41/12/309284112.db2.gz JMXNSJMHNPGTKV-LJQANCHMSA-N 2 0 346.515 3.360 10 0 EGAERP CCN1CC[C@H]([NH2+]CC[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000420413187 309287204 /nfs/dbraw/zinc/28/72/04/309287204.db2.gz SUEIOKRWOFELNS-JEBQAFNWSA-N 2 0 339.886 3.204 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccccc1Br ZINC000422992998 309379750 /nfs/dbraw/zinc/37/97/50/309379750.db2.gz DSFQKWAPGOZXTC-ZDUSSCGKSA-N 2 0 343.309 3.070 10 0 EGAERP Cc1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750896 309366483 /nfs/dbraw/zinc/36/64/83/309366483.db2.gz DVJUNEQZIZXOMT-PZJWPPBQSA-N 2 0 338.451 3.219 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)c2ccccc21 ZINC000422764346 309367170 /nfs/dbraw/zinc/36/71/70/309367170.db2.gz OITPHDKKEKWKIJ-LEWJYISDSA-N 2 0 349.478 3.273 10 0 EGAERP COc1ccc(OC)c([C@@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000422771368 309367472 /nfs/dbraw/zinc/36/74/72/309367472.db2.gz REBGAVFIRVGJBQ-TZMCWYRMSA-N 2 0 329.444 3.278 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)[NH+](C)C)cc1 ZINC000422776877 309367712 /nfs/dbraw/zinc/36/77/12/309367712.db2.gz FBVLOZMJCBMUDO-BURNTYAHSA-N 2 0 329.532 3.498 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+]C1CCN(c2ccc(C(F)(F)F)cn2)CC1 ZINC000422862387 309372589 /nfs/dbraw/zinc/37/25/89/309372589.db2.gz NRXCTJQRWUYHHB-CYBMUJFWSA-N 2 0 344.425 3.176 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422876106 309373361 /nfs/dbraw/zinc/37/33/61/309373361.db2.gz PUSWFMABSJUSJV-CADBVGFASA-N 2 0 343.515 3.174 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422888731 309374407 /nfs/dbraw/zinc/37/44/07/309374407.db2.gz NQDGBLVHVQQRQG-WMZOPIPTSA-N 2 0 333.863 3.168 10 0 EGAERP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422916357 309376051 /nfs/dbraw/zinc/37/60/51/309376051.db2.gz AEVHOQZBDAFTQG-GKBFQHABSA-N 2 0 344.499 3.283 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(F)cc1)c1ccc(OC)cc1 ZINC000422940555 309377111 /nfs/dbraw/zinc/37/71/11/309377111.db2.gz GZOFEARZKAAFAW-ICSRJNTNSA-N 2 0 346.446 3.267 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccccc1OC ZINC000422957344 309377975 /nfs/dbraw/zinc/37/79/75/309377975.db2.gz NJGPURKTPKVSHH-XLIONFOSSA-N 2 0 328.456 3.128 10 0 EGAERP COc1ccc([C@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422998225 309380209 /nfs/dbraw/zinc/38/02/09/309380209.db2.gz VZIGUNDPQUWGBX-UXHICEINSA-N 2 0 345.531 3.341 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423009756 309380761 /nfs/dbraw/zinc/38/07/61/309380761.db2.gz DTKHWAYZDBJMJT-CSMYWGQOSA-N 2 0 327.875 3.331 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000423020825 309381368 /nfs/dbraw/zinc/38/13/68/309381368.db2.gz AMEKMVIUHXGSOF-HZPDHXFCSA-N 2 0 326.488 3.020 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423039859 309382449 /nfs/dbraw/zinc/38/24/49/309382449.db2.gz GBIXAICHDLYVRD-UYHISHBKSA-N 2 0 339.886 3.200 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423042872 309382569 /nfs/dbraw/zinc/38/25/69/309382569.db2.gz MMPZKMVNQZTJTI-LUVWLHFXSA-N 2 0 325.447 3.204 10 0 EGAERP [NH3+][C@H]1CCCCC[C@@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423089535 309385446 /nfs/dbraw/zinc/38/54/46/309385446.db2.gz VIUWMESAIJEMQQ-CKUJCDMFSA-N 2 0 333.442 3.041 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000423092645 309385551 /nfs/dbraw/zinc/38/55/51/309385551.db2.gz CUOIFNHAOLKJIN-BPUTZDHNSA-N 2 0 330.394 3.295 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423153580 309388577 /nfs/dbraw/zinc/38/85/77/309388577.db2.gz HXOTYAYGCXPXIX-CYBMUJFWSA-N 2 0 339.418 3.024 10 0 EGAERP C[C@@H](NCCC[NH2+]Cc1cccnc1)c1cnn(Cc2ccccc2)c1 ZINC000423193132 309389998 /nfs/dbraw/zinc/38/99/98/309389998.db2.gz WPYUDQRSQDIMSD-GOSISDBHSA-N 2 0 349.482 3.157 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]C[C@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400340 309398601 /nfs/dbraw/zinc/39/86/01/309398601.db2.gz VBJDDRMOGVXLAW-BNOWGMLFSA-N 2 0 347.450 3.112 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000423405422 309398850 /nfs/dbraw/zinc/39/88/50/309398850.db2.gz TXPJYGXMSUDDAN-FIXISWKDSA-N 2 0 329.257 3.107 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000449131969 310039196 /nfs/dbraw/zinc/03/91/96/310039196.db2.gz QTGUOMRYMTVPGX-LJQANCHMSA-N 3 0 343.559 3.404 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)Cc1ccoc1)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449132738 310039233 /nfs/dbraw/zinc/03/92/33/310039233.db2.gz WAWPSIOLPIQTTQ-JKSUJKDBSA-N 2 0 345.462 3.452 10 0 EGAERP C[C@@H](CO[C@@H]1CCOC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449190111 310043280 /nfs/dbraw/zinc/04/32/80/310043280.db2.gz QIQAHPMDCSHIDI-FUHWJXTLSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@]2(O)CCC[C@H]2C)CC1 ZINC000449346335 310055685 /nfs/dbraw/zinc/05/56/85/310055685.db2.gz ZHGAFTNNQZBXKH-DBXWQHBBSA-N 2 0 330.516 3.223 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C)CC3 ZINC000449559574 310072210 /nfs/dbraw/zinc/07/22/10/310072210.db2.gz BZQLNLHOBCNAIL-WZYMTQMTSA-N 2 0 339.483 3.249 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449734805 310083183 /nfs/dbraw/zinc/08/31/83/310083183.db2.gz DTRXHLMVQDLFRY-WRTQPQOASA-N 2 0 328.500 3.038 10 0 EGAERP FC1(F)CCCC[C@@H]1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000450451068 310123510 /nfs/dbraw/zinc/12/35/10/310123510.db2.gz IMSWLJBAONIYBX-MRXNPFEDSA-N 2 0 330.463 3.389 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000453197094 310263520 /nfs/dbraw/zinc/26/35/20/310263520.db2.gz LGVJKVOFYAKOFE-ZCNNSNEGSA-N 2 0 328.500 3.182 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)CC1 ZINC000453196516 310263561 /nfs/dbraw/zinc/26/35/61/310263561.db2.gz LGVJKVOFYAKOFE-VAMGGRTRSA-N 2 0 328.500 3.182 10 0 EGAERP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000453273241 310268417 /nfs/dbraw/zinc/26/84/17/310268417.db2.gz VNGJIDWYDOTMMO-CABCVRRESA-N 2 0 342.430 3.094 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(F)c(F)c1 ZINC000453272814 310268476 /nfs/dbraw/zinc/26/84/76/310268476.db2.gz VIMAWLZIDJBMAW-YJBOKZPZSA-N 2 0 326.431 3.098 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453410054 310275456 /nfs/dbraw/zinc/27/54/56/310275456.db2.gz USHXQERDLYHVER-RXVVDRJESA-N 2 0 329.532 3.361 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)CC2CCCCC2)CC1 ZINC000488296072 311059568 /nfs/dbraw/zinc/05/95/68/311059568.db2.gz QMGOQKBQSYHMDA-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP [NH3+]C[C@H](NC(=O)[C@H]1CCCCCC[C@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165458 312268787 /nfs/dbraw/zinc/26/87/87/312268787.db2.gz HVSSCDAFPWUKRX-ZCNNSNEGSA-N 2 0 339.483 3.254 10 0 EGAERP Cc1cncn1CC(=O)Nc1ccccc1-c1ncc2n1CCCC2 ZINC000529229796 313278034 /nfs/dbraw/zinc/27/80/34/313278034.db2.gz BRRALINVTYJIEG-UHFFFAOYSA-N 2 0 335.411 3.030 10 0 EGAERP C[C@H]1C[C@@H](C[NH+]2CCC(Cc3nc(C4CCCC4)no3)CC2)CC[NH2+]1 ZINC000530244123 313504821 /nfs/dbraw/zinc/50/48/21/313504821.db2.gz XABIZAVSVCZJCC-RDJZCZTQSA-N 2 0 346.519 3.370 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000535777022 314073157 /nfs/dbraw/zinc/07/31/57/314073157.db2.gz DWCSEBRRCXLPEI-CYBMUJFWSA-N 2 0 327.875 3.156 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000536824424 314147544 /nfs/dbraw/zinc/14/75/44/314147544.db2.gz BBXCXJFHHUOCPT-MXKPZRPRSA-N 2 0 341.543 3.359 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1 ZINC000538548580 314253764 /nfs/dbraw/zinc/25/37/64/314253764.db2.gz NDMNUEHCVWMPDQ-HKUYNNGSSA-N 2 0 333.520 3.047 10 0 EGAERP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000549764400 315103707 /nfs/dbraw/zinc/10/37/07/315103707.db2.gz QVSJLQMKXVMBIS-VEHMJYNQSA-N 2 0 336.520 3.493 10 0 EGAERP FC1(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000550262678 315122463 /nfs/dbraw/zinc/12/24/63/315122463.db2.gz NQFFDDCSBWWWSL-SFHVURJKSA-N 2 0 332.463 3.007 10 0 EGAERP CC(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000552033079 315190934 /nfs/dbraw/zinc/19/09/34/315190934.db2.gz KOCJJBUEEDYMGP-ACRUOGEOSA-N 2 0 329.532 3.389 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@@H]2CCC[C@H]21 ZINC000552248425 315209245 /nfs/dbraw/zinc/20/92/45/315209245.db2.gz GWCANJYOYOVHKL-YESZJQIVSA-N 2 0 330.472 3.155 10 0 EGAERP COc1cc(Br)ccc1[C@H](C)[NH2+][C@H]1CCC[C@@H]([NH3+])C1 ZINC000565227324 316295084 /nfs/dbraw/zinc/29/50/84/316295084.db2.gz VCNATTKGTVKVFB-UHTWSYAYSA-N 2 0 327.266 3.378 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000565719470 316361045 /nfs/dbraw/zinc/36/10/45/316361045.db2.gz XPUPMFVQEIOEGR-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[NH2+]1 ZINC000573545481 317499524 /nfs/dbraw/zinc/49/95/24/317499524.db2.gz HWBINMAZZRHFQJ-WBVHZDCISA-N 2 0 339.487 3.290 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[NH2+]1 ZINC000573545478 317499886 /nfs/dbraw/zinc/49/98/86/317499886.db2.gz HWBINMAZZRHFQJ-DOTOQJQBSA-N 2 0 339.487 3.290 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@@H+](CC(=O)N(C)[C@@H](C)CC(C)C)C2)[nH+]1 ZINC000171649128 323244642 /nfs/dbraw/zinc/24/46/42/323244642.db2.gz NEKJUGVVMAMXRP-ZWKOTPCHSA-N 2 0 346.519 3.017 10 0 EGAERP CC(C)(C[C@@H]1CCC[N@H+](Cc2cc(-n3ccnc3)cs2)C1)C(N)=O ZINC000579434958 325107919 /nfs/dbraw/zinc/10/79/19/325107919.db2.gz HCLBJMZWEPNWNX-AWEZNQCLSA-N 2 0 346.500 3.047 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCCCC(=O)OC(C)(C)C ZINC000612188643 460563677 /nfs/dbraw/zinc/56/36/77/460563677.db2.gz CDZZAEMVDNXVNJ-UHFFFAOYSA-N 2 0 344.459 3.177 10 0 EGAERP CSc1cccc(NC(=O)CN2CC[C@H](C)[C@H](n3ccnc3)C2)c1 ZINC000245578750 455333811 /nfs/dbraw/zinc/33/38/11/455333811.db2.gz IHCHCUSUTSJOQY-WMLDXEAASA-N 2 0 344.484 3.127 10 0 EGAERP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887914 460589234 /nfs/dbraw/zinc/58/92/34/460589234.db2.gz RMXBAOZCOMOCOB-GDBMZVCRSA-N 2 0 328.378 3.202 10 0 EGAERP Cc1nccn1CC[C@H]1CCCC[N@@H+]1Cc1cccc(CC[NH3+])c1 ZINC000077394040 454101551 /nfs/dbraw/zinc/10/15/51/454101551.db2.gz SCEQJGHIHWWBGQ-HXUWFJFHSA-N 2 0 326.488 3.138 10 0 EGAERP CCN(CC)c1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)s1 ZINC000134180405 454512828 /nfs/dbraw/zinc/51/28/28/454512828.db2.gz DIHOZANCBWJFMV-UHFFFAOYSA-N 2 0 336.549 3.297 10 0 EGAERP c1ccc(CCOCCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000051907794 454641448 /nfs/dbraw/zinc/64/14/48/454641448.db2.gz WGMVHYSYPUYUMM-UHFFFAOYSA-N 2 0 330.516 3.444 10 0 EGAERP CCC[C@@H](C(=O)NC1CC[NH+]([C@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000162171728 454756859 /nfs/dbraw/zinc/75/68/59/454756859.db2.gz LAVVMBXEUYBFCH-APWZRJJASA-N 2 0 331.504 3.059 10 0 EGAERP O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000164007727 454871921 /nfs/dbraw/zinc/87/19/21/454871921.db2.gz VTWYFGVZDOFJSZ-GOSISDBHSA-N 2 0 329.488 3.139 10 0 EGAERP CC(C)[C@H](c1ccccc1)[N@H+](C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000112699139 454896610 /nfs/dbraw/zinc/89/66/10/454896610.db2.gz HYTJKSSXWWLFCF-OAQYLSRUSA-N 2 0 343.515 3.059 10 0 EGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)CCCO2 ZINC000150977050 454920917 /nfs/dbraw/zinc/92/09/17/454920917.db2.gz ZRUVVEMFVVXUKP-FQEVSTJZSA-N 2 0 345.531 3.133 10 0 EGAERP CN1CCC([NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178391156 454953790 /nfs/dbraw/zinc/95/37/90/454953790.db2.gz BCJDEXIIAOXAEO-HNNXBMFYSA-N 2 0 339.277 3.347 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc3ccccc3c2)CC1 ZINC000170941969 455002362 /nfs/dbraw/zinc/00/23/62/455002362.db2.gz BJPSRZMXVVJSJK-QGZVFWFLSA-N 2 0 326.484 3.364 10 0 EGAERP CCC[C@@H](C(=O)N1CCC(CC[N@@H+]2CCCC[C@@H]2C)CC1)[NH+](C)C ZINC000155989411 455069855 /nfs/dbraw/zinc/06/98/55/455069855.db2.gz CWVOXCSQZUGQPV-HKUYNNGSSA-N 2 0 337.552 3.220 10 0 EGAERP CCOCc1cc(C[N@H+](C)[C@H]2CC[NH+](CC)C[C@H]2C)ccc1OC ZINC000179882895 455093209 /nfs/dbraw/zinc/09/32/09/455093209.db2.gz JIJKPEBTUPABFJ-APWZRJJASA-N 2 0 334.504 3.394 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC[C@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000180107332 455132881 /nfs/dbraw/zinc/13/28/81/455132881.db2.gz SRDOTJUQADLQDH-CLORWUCXSA-N 2 0 339.527 3.256 10 0 EGAERP C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000156599607 455136958 /nfs/dbraw/zinc/13/69/58/455136958.db2.gz CDEVSQYGTGHRSV-MSOLQXFVSA-N 2 0 333.520 3.152 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccccc2Cl)[C@@H](C)C1 ZINC000245415639 455291614 /nfs/dbraw/zinc/29/16/14/455291614.db2.gz DKALSWSVNTVZHW-WMLDXEAASA-N 2 0 337.895 3.331 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H](NC[C@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000245746805 455371926 /nfs/dbraw/zinc/37/19/26/455371926.db2.gz SRDOTJUQADLQDH-CZAYHTPWSA-N 2 0 339.527 3.256 10 0 EGAERP COc1ccc(CN2CC[C@@H]3[C@H](CCC[N@@H+]3C)C2)cc1OC(F)F ZINC000245748309 455372030 /nfs/dbraw/zinc/37/20/30/455372030.db2.gz GXPXJOXKNUFHKT-HUUCEWRRSA-N 2 0 340.414 3.213 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@H](C)C1 ZINC000265942544 455411054 /nfs/dbraw/zinc/41/10/54/455411054.db2.gz IHAMQOFAZAPRMQ-XLIONFOSSA-N 2 0 343.515 3.085 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CCC[C@@H]2C[NH+](C)C)cc1)C(C)C ZINC000268079700 455589396 /nfs/dbraw/zinc/58/93/96/455589396.db2.gz CTFXFOWMTUVHRL-LJQANCHMSA-N 2 0 331.504 3.083 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186215593 455717806 /nfs/dbraw/zinc/71/78/06/455717806.db2.gz GZNLHQGUDZEIGM-UXHICEINSA-N 2 0 346.515 3.072 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271692889 455724981 /nfs/dbraw/zinc/72/49/81/455724981.db2.gz KPINZGCCIVOFKJ-OXJNMPFZSA-N 2 0 333.495 3.140 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000249484676 455757780 /nfs/dbraw/zinc/75/77/80/455757780.db2.gz UDGWEJPXQNOFDL-HOCLYGCPSA-N 2 0 336.442 3.276 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccccc1I ZINC000269056268 455777808 /nfs/dbraw/zinc/77/78/08/455777808.db2.gz WUHXXCVHOMVAAV-LBPRGKRZSA-N 2 0 346.256 3.284 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1C[C@@H]1CCCN(C(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)C1 ZINC000263293714 456120071 /nfs/dbraw/zinc/12/00/71/456120071.db2.gz XFQGHHPBVRKAOE-IVDHNXQLSA-N 2 0 347.547 3.020 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2N2CCO[C@@H](C)C2)[C@@H](C)C1 ZINC000297600042 456261608 /nfs/dbraw/zinc/26/16/08/456261608.db2.gz FSMRVDHCXXVJQI-BJLQDIEVSA-N 2 0 345.531 3.074 10 0 EGAERP C[C@@H]1C[C@H](C[N@@H+]2CC[C@]3(CC[NH+](Cc4ccccc4)C3)C2)CCO1 ZINC000352817119 456333337 /nfs/dbraw/zinc/33/33/37/456333337.db2.gz PSMKWAFRXPRFPE-NRSPTQNISA-N 2 0 328.500 3.400 10 0 EGAERP COCCC[C@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(F)cc1 ZINC000282114754 456415800 /nfs/dbraw/zinc/41/58/00/456415800.db2.gz ALRYIZPHLXERLQ-QAPCUYQASA-N 2 0 331.435 3.342 10 0 EGAERP COc1cccc(CC[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)n1 ZINC000348098441 456479004 /nfs/dbraw/zinc/47/90/04/456479004.db2.gz SLVQCIKCALWVJH-MJGOQNOKSA-N 2 0 339.483 3.133 10 0 EGAERP CCOC(CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)OCC ZINC000276516462 456504011 /nfs/dbraw/zinc/50/40/11/456504011.db2.gz LNGVRJNFZTZRLV-IEBWSBKVSA-N 2 0 334.504 3.276 10 0 EGAERP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000305156708 456530966 /nfs/dbraw/zinc/53/09/66/456530966.db2.gz VWLFNWNCQQHZCR-UYAOXDASSA-N 2 0 346.515 3.344 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21)c1ccc2c(c1)OCCO2 ZINC000353383582 456663661 /nfs/dbraw/zinc/66/36/61/456663661.db2.gz GEOUEESTZMQPEY-FJIDUMEYSA-N 2 0 330.472 3.371 10 0 EGAERP COC1(C[C@H](C)[NH2+]C[C@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000277057210 456666831 /nfs/dbraw/zinc/66/68/31/456666831.db2.gz HRXIMQXTPHKXEL-AZUAARDMSA-N 2 0 330.516 3.488 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NC2CCC(C[NH+](C)C)CC2)cc1 ZINC000338224321 456716655 /nfs/dbraw/zinc/71/66/55/456716655.db2.gz VXENOHWKRNREOK-UHFFFAOYSA-N 2 0 345.531 3.379 10 0 EGAERP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)cc1F ZINC000353522901 456734032 /nfs/dbraw/zinc/73/40/32/456734032.db2.gz SPFLJWJTTJKGQF-BHIYHBOVSA-N 2 0 342.462 3.282 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000353523224 456735418 /nfs/dbraw/zinc/73/54/18/456735418.db2.gz XMLAMSCEDAAYGG-VWEINGBSSA-N 2 0 329.532 3.359 10 0 EGAERP CCc1ccc(C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)nc1 ZINC000339059608 456920698 /nfs/dbraw/zinc/92/06/98/456920698.db2.gz GEAVHWNNUASWEY-UHFFFAOYSA-N 2 0 333.520 3.214 10 0 EGAERP CCc1nnc([C@H](C)NC2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]1 ZINC000354171044 457107187 /nfs/dbraw/zinc/10/71/87/457107187.db2.gz DWPNHCQZSSINEP-MIGBEJBISA-N 2 0 339.487 3.213 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CN2CCOCC2)cc1)c1ccc(Cl)cn1 ZINC000359711493 457123625 /nfs/dbraw/zinc/12/36/25/457123625.db2.gz JHYFBKDKFLBULZ-HNNXBMFYSA-N 2 0 345.874 3.418 10 0 EGAERP CCc1cccc(F)c1C[NH2+]Cc1ccnc(OCC[NH+](C)C)c1 ZINC000354651120 457297657 /nfs/dbraw/zinc/29/76/57/457297657.db2.gz QGJSGNHIXBTCBS-UHFFFAOYSA-N 2 0 331.435 3.013 10 0 EGAERP C[NH+]1CCC2(CCC[N@@H+]2Cc2cnc(-c3ccncc3)s2)CC1 ZINC000355032305 457338068 /nfs/dbraw/zinc/33/80/68/457338068.db2.gz AKAJGCQXJHTIJR-UHFFFAOYSA-N 2 0 328.485 3.265 10 0 EGAERP c1cc(-c2ccc(CNC[C@@H]3CC[N@H+](Cc4ccccc4)C3)o2)n[nH]1 ZINC000355221069 457348879 /nfs/dbraw/zinc/34/88/79/457348879.db2.gz NTRIVFRZGMPBEE-KRWDZBQOSA-N 2 0 336.439 3.281 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccccc2-c2ccnn2C)C1 ZINC000352448173 457376302 /nfs/dbraw/zinc/37/63/02/457376302.db2.gz FKHREPNBKJILQX-KRWDZBQOSA-N 2 0 326.488 3.297 10 0 EGAERP C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390700592 457440633 /nfs/dbraw/zinc/44/06/33/457440633.db2.gz SZBINCTUYIEEFZ-FWZVCBSNSA-N 2 0 327.516 3.302 10 0 EGAERP C[C@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374712509 457692737 /nfs/dbraw/zinc/69/27/37/457692737.db2.gz CZICHOIEDYAMOU-DBXWQHBBSA-N 2 0 347.522 3.105 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@H]2C)CC1 ZINC000358178641 457839375 /nfs/dbraw/zinc/83/93/75/457839375.db2.gz DKMUYKJBOOLOOS-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC000361929511 457962368 /nfs/dbraw/zinc/96/23/68/457962368.db2.gz NQWHWSNWOLDRJM-YLJYHZDGSA-N 2 0 339.483 3.133 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000427451240 457989945 /nfs/dbraw/zinc/98/99/45/457989945.db2.gz PEBYFWXRHCKKSO-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000375860047 458099660 /nfs/dbraw/zinc/09/96/60/458099660.db2.gz GJBZOVVSBONVJN-RCCFBDPRSA-N 2 0 332.488 3.099 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428337089 458123473 /nfs/dbraw/zinc/12/34/73/458123473.db2.gz GOWGJZXNTLHRIF-UTKZUKDTSA-N 2 0 345.531 3.324 10 0 EGAERP c1cn(Cc2ccc(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2)cn1 ZINC000436469057 458307670 /nfs/dbraw/zinc/30/76/70/458307670.db2.gz TWDAIHLWMNWASC-UHFFFAOYSA-N 3 0 347.466 3.085 10 0 EGAERP O=c1cc(CN2CCC[C@H](C[NH+]3CCCCCC3)C2)nc(C2CC2)[nH]1 ZINC000459335227 458333332 /nfs/dbraw/zinc/33/33/32/458333332.db2.gz HRTVXOMZTGUHRS-MRXNPFEDSA-N 2 0 344.503 3.148 10 0 EGAERP C[NH+](C)[C@@H]1CCC[N@H+](C[C@@H](O)Cc2ccccc2C(F)(F)F)CC1 ZINC000429535085 458341140 /nfs/dbraw/zinc/34/11/40/458341140.db2.gz HAMVNQHASYZHBQ-CVEARBPZSA-N 2 0 344.421 3.025 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+]Cc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438687 458370844 /nfs/dbraw/zinc/37/08/44/458370844.db2.gz JIDCZEJHZPQFMS-IEBWSBKVSA-N 2 0 349.482 3.120 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)[C@H](C)C1 ZINC000429801047 458373105 /nfs/dbraw/zinc/37/31/05/458373105.db2.gz GAZDQDBGOMLZCH-RDTXWAMCSA-N 2 0 335.467 3.125 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435474 458432365 /nfs/dbraw/zinc/43/23/65/458432365.db2.gz YYKRYQHCQQLDIA-ANTGDGSKSA-N 3 0 329.532 3.252 10 0 EGAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NCc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663283 458440063 /nfs/dbraw/zinc/44/00/63/458440063.db2.gz WTVWMGNUIKHCSQ-APWZRJJASA-N 2 0 326.488 3.467 10 0 EGAERP Clc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CC2 ZINC000423525081 458451063 /nfs/dbraw/zinc/45/10/63/458451063.db2.gz XVARBPDSBCIPKC-FAFZWHIHSA-N 2 0 333.907 3.133 10 0 EGAERP C[N@@H+]1CCC[C@@H](CC[NH2+]Cc2ccccc2OCC(F)(F)F)C1 ZINC000459740292 458464805 /nfs/dbraw/zinc/46/48/05/458464805.db2.gz UBYBNHCNXYYZDF-AWEZNQCLSA-N 2 0 330.394 3.449 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[NH+](Cc2ccccc2)[C@@H](C)C1 ZINC000430680407 458479604 /nfs/dbraw/zinc/47/96/04/458479604.db2.gz SKUMMXNLLISDOO-DFQSSKMNSA-N 2 0 343.515 3.030 10 0 EGAERP C[C@@H](CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[S@@](C)=O ZINC000438845347 458620839 /nfs/dbraw/zinc/62/08/39/458620839.db2.gz YOVQSPVMWSAKHQ-IGOTWKNGSA-N 2 0 336.545 3.176 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000431784218 458623497 /nfs/dbraw/zinc/62/34/97/458623497.db2.gz LOGYTEWDSRMWOU-DLBZAZTESA-N 2 0 335.492 3.043 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CCCC[C@H]1[NH3+] ZINC000424367732 458626274 /nfs/dbraw/zinc/62/62/74/458626274.db2.gz NOTAPZIWNVLEQO-VCTAVGKDSA-N 2 0 329.257 3.379 10 0 EGAERP C[C@@H]1CC2(C[N@@H+]1Cc1cnc(-c3ccccn3)s1)CC[NH2+]CC2 ZINC000424379293 458629096 /nfs/dbraw/zinc/62/90/96/458629096.db2.gz OJBBNUWIAWXCDZ-CQSZACIVSA-N 2 0 328.485 3.169 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@@H](OC(C)C)C1(C)C ZINC000547331837 458720696 /nfs/dbraw/zinc/72/06/96/458720696.db2.gz GNDOHCCJUYKZLY-ZWKOTPCHSA-N 2 0 328.460 3.257 10 0 EGAERP CCCOc1cccc(C[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530248723 458730179 /nfs/dbraw/zinc/73/01/79/458730179.db2.gz OOBLYSPJRJDGRS-FQEVSTJZSA-N 2 0 332.488 3.066 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@@H](CC(C)C)c2ccccc2)CC1 ZINC000474460185 458887006 /nfs/dbraw/zinc/88/70/06/458887006.db2.gz LOOJAJNANLDJGI-PZJWPPBQSA-N 2 0 331.548 3.432 10 0 EGAERP CCOc1ccccc1OCC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000441184645 458897378 /nfs/dbraw/zinc/89/73/78/458897378.db2.gz WISMCLVVTHNSHR-UHFFFAOYSA-N 2 0 332.488 3.272 10 0 EGAERP COc1ccc([C@H](C)[C@H](C)[NH2+]CCN2CC=C(C)CC2)cc1OC ZINC000474938856 458908932 /nfs/dbraw/zinc/90/89/32/458908932.db2.gz AEOJPFJTPUUOTP-SJORKVTESA-N 2 0 332.488 3.437 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)C1CCCCC1 ZINC000475336530 458937268 /nfs/dbraw/zinc/93/72/68/458937268.db2.gz SPJFOWNGUKCQAI-QMMLZNLJSA-N 2 0 330.516 3.428 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000566949536 459024803 /nfs/dbraw/zinc/02/48/03/459024803.db2.gz FYMQJOIFTJAYMB-NQIIRXRSSA-N 3 0 329.532 3.219 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000594495436 459060062 /nfs/dbraw/zinc/06/00/62/459060062.db2.gz SJDHLAGKJGXNLV-IBGZPJMESA-N 2 0 330.472 3.172 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C1CC[NH+](CC3CC3)CC1)CCC2 ZINC000594505665 459066190 /nfs/dbraw/zinc/06/61/90/459066190.db2.gz ZLNDXHNMOHPZCF-FQEVSTJZSA-N 2 0 342.483 3.315 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+](C)C)CC1)CCC2 ZINC000594522155 459078562 /nfs/dbraw/zinc/07/85/62/459078562.db2.gz YKVDSFJQZSVOPT-FAFZWHIHSA-N 2 0 330.472 3.313 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](C[NH2+]C[C@@H](O)COc2ccccc2C(C)C)C1 ZINC000567684358 459144519 /nfs/dbraw/zinc/14/45/19/459144519.db2.gz HLVKHNMLTZLDFN-RBUKOAKNSA-N 2 0 348.531 3.117 10 0 EGAERP CCC[C@@H](C)C[NH+]1CCN([C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000558412409 459154746 /nfs/dbraw/zinc/15/47/46/459154746.db2.gz YZMJIIREXJMILO-TZIWHRDSSA-N 2 0 329.532 3.315 10 0 EGAERP COc1ccc(Br)c(CN2CC[C@]3(C2)CCC[NH2+]C3)c1 ZINC000567871495 459181846 /nfs/dbraw/zinc/18/18/46/459181846.db2.gz GPBFCVFBDGQJRB-MRXNPFEDSA-N 2 0 339.277 3.033 10 0 EGAERP C[C@@H]1C[C@@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650977 459237834 /nfs/dbraw/zinc/23/78/34/459237834.db2.gz VHAFCACMMWQJAJ-YZGWKJHDSA-N 2 0 327.516 3.256 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)CC1 ZINC000560514260 459363302 /nfs/dbraw/zinc/36/33/02/459363302.db2.gz VLGDLKQTFDMQPA-BDTNDASRSA-N 2 0 341.543 3.422 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000560514264 459363755 /nfs/dbraw/zinc/36/37/55/459363755.db2.gz VLGDLKQTFDMQPA-BHDDXSALSA-N 2 0 341.543 3.422 10 0 EGAERP C[NH2+]Cc1ccc(NC(=O)c2ccccc2CC2CC[NH2+]CC2)cc1 ZINC000582894809 459447373 /nfs/dbraw/zinc/44/73/73/459447373.db2.gz JRHFNMNFMZVFCL-UHFFFAOYSA-N 2 0 337.467 3.200 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CCCCC[C@H]1C[C@H](C)O ZINC000582932134 459453332 /nfs/dbraw/zinc/45/33/32/459453332.db2.gz RDBAQWPKMFJHMI-KXBFYZLASA-N 2 0 328.460 3.091 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H](O)Cc1ccccc1 ZINC000562054568 459507234 /nfs/dbraw/zinc/50/72/34/459507234.db2.gz BNALISFYXXGUNB-VLCRHTCISA-N 2 0 338.495 3.090 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000542475001 459560410 /nfs/dbraw/zinc/56/04/10/459560410.db2.gz RBKIWLBJXCICMJ-HXUWFJFHSA-N 2 0 342.462 3.417 10 0 EGAERP CCC[N@H+](CC)C[C@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000583664026 459576909 /nfs/dbraw/zinc/57/69/09/459576909.db2.gz GOWDPFYEPSABFV-IBGZPJMESA-N 2 0 331.548 3.404 10 0 EGAERP COC(=O)[C@H](C)C[N@H+](CCCC1CC[NH2+]CC1)Cc1ccccc1 ZINC000592493895 459613388 /nfs/dbraw/zinc/61/33/88/459613388.db2.gz HRAPXJOWGLOCDY-QGZVFWFLSA-N 2 0 332.488 3.078 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCCC[NH2+]C1 ZINC000562748210 459640561 /nfs/dbraw/zinc/64/05/61/459640561.db2.gz ZUVDVRBHZKFQET-IUODEOHRSA-N 2 0 343.393 3.154 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@H]3C[C@@H]([NH3+])c4ccccc43)C2)c1 ZINC000584047356 459640732 /nfs/dbraw/zinc/64/07/32/459640732.db2.gz NBXHDBDNHGFFAP-RVHYNSKXSA-N 2 0 337.467 3.398 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3C[C@H]([NH3+])c4ccccc43)C2)c1 ZINC000584047355 459641100 /nfs/dbraw/zinc/64/11/00/459641100.db2.gz NBXHDBDNHGFFAP-ONGXBYRLSA-N 2 0 337.467 3.398 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@H]2CCCOC2)CC1 ZINC000527924196 459774022 /nfs/dbraw/zinc/77/40/22/459774022.db2.gz HOEJFJJFOCNOKG-AZUAARDMSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCN1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008523 459794849 /nfs/dbraw/zinc/79/48/49/459794849.db2.gz FKBSMTPVYJYVDG-FXAWDEMLSA-N 2 0 345.531 3.295 10 0 EGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011724 459796168 /nfs/dbraw/zinc/79/61/68/459796168.db2.gz IXJFMBOBIQRGFF-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)[C@@H]1CCN(C)[C@H](C)C1 ZINC000574529933 459830546 /nfs/dbraw/zinc/83/05/46/459830546.db2.gz NTNBYWSOGXJPKQ-NVXWUHKLSA-N 2 0 345.487 3.022 10 0 EGAERP C[C@H]1C[C@@H]([N@H+](C)CCOC2CCOCC2)CCN1Cc1ccccc1 ZINC000625222657 460078029 /nfs/dbraw/zinc/07/80/29/460078029.db2.gz OQWQOCFIGDVBPI-ICSRJNTNSA-N 2 0 346.515 3.167 10 0 EGAERP CC(C)C1CCC([NH+]2CCN(C(=O)C(C)(C)c3cnc[nH]3)CC2)CC1 ZINC000621906086 460109726 /nfs/dbraw/zinc/10/97/26/460109726.db2.gz XQWOCPUANIMAPG-UHFFFAOYSA-N 2 0 346.519 3.046 10 0 EGAERP CCO[C@H](C[N@@H+]1CC[C@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000625424385 460168849 /nfs/dbraw/zinc/16/88/49/460168849.db2.gz UVTSPDPPYYQRNB-RTWAWAEBSA-N 2 0 328.500 3.400 10 0 EGAERP FC1(F)C[C@H]2CC[C@@H](C1)[N@H+]2CCCN1CCN(c2ccccc2)CC1 ZINC000625680168 460235828 /nfs/dbraw/zinc/23/58/28/460235828.db2.gz ZRBXNIXZAJHUON-KDURUIRLSA-N 2 0 349.469 3.461 10 0 EGAERP Cc1nccn1CC[NH2+][C@@H](CN(C)C)c1ccc(Cl)c(Cl)c1 ZINC000625982849 460326233 /nfs/dbraw/zinc/32/62/33/460326233.db2.gz UTUHUQPVRFDSKP-INIZCTEOSA-N 2 0 341.286 3.391 10 0 EGAERP FCCC[NH+]1CCN(Cc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000626069593 460361646 /nfs/dbraw/zinc/36/16/46/460361646.db2.gz BSGMZNAUFNYOJN-UHFFFAOYSA-N 2 0 333.495 3.150 10 0 EGAERP C[C@@H]([NH2+][C@H](CCO)c1ccc(Cl)c(F)c1)C1CC[NH+](C)CC1 ZINC000631660698 460495563 /nfs/dbraw/zinc/49/55/63/460495563.db2.gz GEWZMJSZPJAVOA-SJKOYZFVSA-N 2 0 328.859 3.223 10 0 EGAERP CCc1noc(-c2ccc(CC[NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)cc2)n1 ZINC000623405371 460531069 /nfs/dbraw/zinc/53/10/69/460531069.db2.gz DSFVHFBIJNWJGN-QGZVFWFLSA-N 2 0 342.487 3.304 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2ccc(Br)cc2)CC1(C)C ZINC000623423513 460540972 /nfs/dbraw/zinc/54/09/72/460540972.db2.gz IURCPALEGOPIAI-OAHLLOKOSA-N 2 0 325.294 3.454 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+](CC)CC)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000617925103 461024384 /nfs/dbraw/zinc/02/43/84/461024384.db2.gz FIOHXFWDVPMKTE-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP C[C@]1(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCCS1 ZINC000628236643 461057289 /nfs/dbraw/zinc/05/72/89/461057289.db2.gz JPTVUFXGZFMRLJ-RBUKOAKNSA-N 2 0 334.529 3.019 10 0 EGAERP C[C@]1(C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCCS1 ZINC000628235956 461057601 /nfs/dbraw/zinc/05/76/01/461057601.db2.gz KLWBCEUGIMSFCR-GOSISDBHSA-N 2 0 326.550 3.097 10 0 EGAERP Cc1ccc2ccnc(NC[C@H]3CN(Cc4ccncc4)CCO3)c2c1 ZINC000624705516 461096613 /nfs/dbraw/zinc/09/66/13/461096613.db2.gz KHILTNYSPOALHU-IBGZPJMESA-N 2 0 348.450 3.251 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cccc3c2CC[NH2+]C3)C[C@H](c2ccc(F)cc2)O1 ZINC000662254994 461143563 /nfs/dbraw/zinc/14/35/63/461143563.db2.gz CKMRFRMBMLLQOS-QVKFZJNVSA-N 2 0 340.442 3.433 10 0 EGAERP CC(C)[C@H](CO)[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662253693 461145879 /nfs/dbraw/zinc/14/58/79/461145879.db2.gz BTABAKLIJBDZHR-QFIPXVFZSA-N 2 0 338.495 3.351 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC3(C2)CC[NH+](C)CC3)cc1 ZINC000646250127 461150275 /nfs/dbraw/zinc/15/02/75/461150275.db2.gz FBYADDLQRAGHBS-UHFFFAOYSA-N 2 0 343.515 3.086 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccc(Cl)cc2)C1 ZINC000652361195 461155524 /nfs/dbraw/zinc/15/55/24/461155524.db2.gz ZLWUHPNUHPUGSK-BPQIPLTHSA-N 2 0 338.879 3.080 10 0 EGAERP Cc1ccc(NC(=O)[C@H](C)[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299041 461177839 /nfs/dbraw/zinc/17/78/39/461177839.db2.gz ZIMPTFGUOUHPIR-DOTOQJQBSA-N 2 0 347.478 3.173 10 0 EGAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCOc2ccc(Cl)cc2)CCO1 ZINC000662321202 461189935 /nfs/dbraw/zinc/18/99/35/461189935.db2.gz ZIRZXZITVKIGFM-GOSISDBHSA-N 2 0 340.895 3.152 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)C[C@H]2[NH2+]Cc3ccccc32)C1 ZINC000662387993 461228379 /nfs/dbraw/zinc/22/83/79/461228379.db2.gz YFRQQLVRUPWHEJ-MBOZVWFJSA-N 2 0 343.515 3.095 10 0 EGAERP CC(C)(C)[C@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000668439889 461282429 /nfs/dbraw/zinc/28/24/29/461282429.db2.gz GEBBEZXYUKKIHB-FUHWJXTLSA-N 2 0 340.577 3.387 10 0 EGAERP COc1cccc([C@@]2(C)CC[N@H+](Cc3ccnn3-c3ccncc3)C2)c1 ZINC000668599712 461350499 /nfs/dbraw/zinc/35/04/99/461350499.db2.gz YEWWHKWCVVJPMX-NRFANRHFSA-N 2 0 348.450 3.440 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000655719660 461389627 /nfs/dbraw/zinc/38/96/27/461389627.db2.gz USUUXQCUTMPQLD-QAPCUYQASA-N 2 0 334.529 3.017 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H](Cc2ccccc2Cl)[C@@H]2CCCO2)C1 ZINC000655804559 461463291 /nfs/dbraw/zinc/46/32/91/461463291.db2.gz ZNMHZHLEBYTQIT-FXECBMLZSA-N 2 0 336.907 3.360 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)C1 ZINC000655806062 461466534 /nfs/dbraw/zinc/46/65/34/461466534.db2.gz OVRPYJJAINJCQX-UWUNEBHHSA-N 2 0 335.923 3.234 10 0 EGAERP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000653108075 461504474 /nfs/dbraw/zinc/50/44/74/461504474.db2.gz HOPXSWGLVZRDLX-VQTJNVASSA-N 2 0 341.499 3.388 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172459 461543082 /nfs/dbraw/zinc/54/30/82/461543082.db2.gz XPGLGXMZGABJPF-ACRUOGEOSA-N 2 0 339.527 3.400 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]Cc2cc3ccccc3[nH]c2=O)[C@H](c2ccccc2)C1 ZINC000647248843 461587996 /nfs/dbraw/zinc/58/79/96/461587996.db2.gz KEALVUDATZIXIB-UXHICEINSA-N 2 0 347.462 3.375 10 0 EGAERP CC(C)C[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccncc1 ZINC000647282291 461607687 /nfs/dbraw/zinc/60/76/87/461607687.db2.gz LXDHVYTXHNLZLJ-VQTJNVASSA-N 2 0 332.536 3.030 10 0 EGAERP [NH3+]C1CCC(C(=O)N[C@@H]2CCCCC[N@H+](Cc3ccccc3)C2)CC1 ZINC000638850403 461617121 /nfs/dbraw/zinc/61/71/21/461617121.db2.gz FQKTYYUEFARAFD-SOAGJPPSSA-N 2 0 343.515 3.065 10 0 EGAERP C[C@@H]([NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1)C1C[NH2+]C1 ZINC000656199892 461643888 /nfs/dbraw/zinc/64/38/88/461643888.db2.gz GEBRVHLPBBOYQO-GFCCVEGCSA-N 2 0 328.378 3.204 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2[C@H]3CCCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344501 461646692 /nfs/dbraw/zinc/64/66/92/461646692.db2.gz RUILRBGNIRJGDA-OUUBHVDSSA-N 2 0 328.500 3.125 10 0 EGAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000631223269 461653199 /nfs/dbraw/zinc/65/31/99/461653199.db2.gz ZOUSIVOGWNNYIJ-QYKUSJBESA-N 2 0 347.300 3.304 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)N(C)Cc1ccccc1Cl ZINC000663502142 461674618 /nfs/dbraw/zinc/67/46/18/461674618.db2.gz GMTITVQDUYCDLX-RHSMWYFYSA-N 2 0 339.911 3.040 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C(C)C)[C@@H](C)C2)CC1 ZINC000663504878 461676463 /nfs/dbraw/zinc/67/64/63/461676463.db2.gz BGQIYBWWIMWMHJ-QXAKKESOSA-N 2 0 337.552 3.027 10 0 EGAERP O=C(Nc1ccc2c(c1)C[NH2+]CC2)c1ccccc1CC1CC[NH2+]CC1 ZINC000669511041 461708041 /nfs/dbraw/zinc/70/80/41/461708041.db2.gz KYVYKTGHGIEEBT-UHFFFAOYSA-N 2 0 349.478 3.127 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489623 461745161 /nfs/dbraw/zinc/74/51/61/461745161.db2.gz HPVONWVZQJACNY-BOUXLOLZSA-N 2 0 325.456 3.420 10 0 EGAERP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1)CS2 ZINC000647800935 461843832 /nfs/dbraw/zinc/84/38/32/461843832.db2.gz MKPXEMMAEMVFHZ-VQHPVUNQSA-N 2 0 332.513 3.440 10 0 EGAERP COc1cc2cc[nH+]c(N(C)CCC[NH+]3CCCC3)c2cc1OC ZINC000663871336 461849947 /nfs/dbraw/zinc/84/99/47/461849947.db2.gz FHDZIWJTDLKSOR-UHFFFAOYSA-N 2 0 329.444 3.174 10 0 EGAERP COc1cc2c(cc1C[N@@H+]1CCC[C@H](C3CC[NH2+]CC3)C1)O[C@H](C)C2 ZINC000656785206 461894993 /nfs/dbraw/zinc/89/49/93/461894993.db2.gz KOUCCGCMMXKQFM-WBVHZDCISA-N 2 0 344.499 3.230 10 0 EGAERP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656786644 461897536 /nfs/dbraw/zinc/89/75/36/461897536.db2.gz VKNQWGSDTNFKDZ-MRXNPFEDSA-N 2 0 342.512 3.417 10 0 EGAERP CC(C)N1CC[C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000647992625 461926939 /nfs/dbraw/zinc/92/69/39/461926939.db2.gz SYUPRCZAGTXHSA-KKXDTOCCSA-N 2 0 339.886 3.202 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650757197 461936352 /nfs/dbraw/zinc/93/63/52/461936352.db2.gz RDLPTWUASLDILV-XMSQKQJNSA-N 3 0 337.511 3.406 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]C1CCN(c2ccc(F)cc2F)CC1 ZINC000650758431 461938424 /nfs/dbraw/zinc/93/84/24/461938424.db2.gz PJDJVVOLVUBZIW-UHFFFAOYSA-N 2 0 345.437 3.443 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cc(OC)c(OC)cc1F ZINC000650758079 461938748 /nfs/dbraw/zinc/93/87/48/461938748.db2.gz IETWLKDKPJOSCY-ZDUSSCGKSA-N 2 0 332.419 3.413 10 0 EGAERP Cc1cc(NCc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c2ccccc2[nH+]1 ZINC000664239884 461993143 /nfs/dbraw/zinc/99/31/43/461993143.db2.gz SHYJSWUZGWHGSG-IBGZPJMESA-N 2 0 347.462 3.144 10 0 EGAERP CCCC(=O)Nc1ccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657314242 462039968 /nfs/dbraw/zinc/03/99/68/462039968.db2.gz YQEZPWYKNGISGR-UHFFFAOYSA-N 2 0 349.438 3.296 10 0 EGAERP c1cc(C[NH2+]C2CCN(c3ccccc3)CC2)n(-c2cc[nH+]cc2)n1 ZINC000657325599 462048432 /nfs/dbraw/zinc/04/84/32/462048432.db2.gz NKUIQRCWOKQRAT-UHFFFAOYSA-N 2 0 333.439 3.026 10 0 EGAERP COC[C@@H](C)Oc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000667501741 462115562 /nfs/dbraw/zinc/11/55/62/462115562.db2.gz ISHNDUIWZGWQLK-GOSISDBHSA-N 2 0 346.515 3.408 10 0 EGAERP Fc1cncc(Br)c1C[NH2+]CCCCC[NH+]1CCCC1 ZINC000657474580 462146865 /nfs/dbraw/zinc/14/68/65/462146865.db2.gz NZWVHMKMWIMBFH-UHFFFAOYSA-N 2 0 344.272 3.339 10 0 EGAERP Clc1cscc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657534580 462170732 /nfs/dbraw/zinc/17/07/32/462170732.db2.gz BBOYGMLBIRFBPM-UHFFFAOYSA-N 2 0 328.909 3.382 10 0 EGAERP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536904 462171742 /nfs/dbraw/zinc/17/17/42/462171742.db2.gz TYCYKNUZNMFBFP-KXBFYZLASA-N 2 0 332.488 3.384 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1c(Cl)ccc2cccnc21 ZINC000657572640 462187630 /nfs/dbraw/zinc/18/76/30/462187630.db2.gz DRLHWXNEFUTMIG-HNNXBMFYSA-N 2 0 348.922 3.250 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(F)cc3Cl)cc2)C1 ZINC000657595516 462197231 /nfs/dbraw/zinc/19/72/31/462197231.db2.gz IFDSLWJEGZSBHX-SFHVURJKSA-N 2 0 348.849 3.336 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000657654951 462217656 /nfs/dbraw/zinc/21/76/56/462217656.db2.gz AKHPIGPTEFVZMA-RXVVDRJESA-N 2 0 348.450 3.238 10 0 EGAERP Cn1ncc(C2CCC2)c1CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1 ZINC000667708809 462226190 /nfs/dbraw/zinc/22/61/90/462226190.db2.gz LKROGRPOVBEDQJ-QFBILLFUSA-N 2 0 328.504 3.136 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@H]2CCC[C@H]2O)cc1 ZINC000648715016 462242479 /nfs/dbraw/zinc/24/24/79/462242479.db2.gz ZLOKLGXDWPXBQI-NJDAHSKKSA-N 2 0 346.515 3.143 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651750232 462323775 /nfs/dbraw/zinc/32/37/75/462323775.db2.gz ACAILSPHIJNTKJ-INIZCTEOSA-N 2 0 339.886 3.084 10 0 EGAERP c1ccc(C2CC([NH2+]CC3CC[NH+](C4CCOCC4)CC3)C2)cc1 ZINC000658066927 462365012 /nfs/dbraw/zinc/36/50/12/462365012.db2.gz GYQYSAABZVJNHB-UHFFFAOYSA-N 2 0 328.500 3.413 10 0 EGAERP CC[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277052 462380501 /nfs/dbraw/zinc/38/05/01/462380501.db2.gz RTDUMTRDGRLIDX-HKBOAZHASA-N 2 0 341.543 3.409 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1ccc2ccccc2n1 ZINC000658106232 462386254 /nfs/dbraw/zinc/38/62/54/462386254.db2.gz GQCBKTNHAUSVAX-IRXDYDNUSA-N 2 0 328.504 3.157 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000665289711 462387125 /nfs/dbraw/zinc/38/71/25/462387125.db2.gz VLLONPWSNWWTSA-PBHICJAKSA-N 2 0 349.544 3.267 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CC2(CCC2)Oc2ccccc21 ZINC000658109333 462389858 /nfs/dbraw/zinc/38/98/58/462389858.db2.gz WDBXVVBGFOEOTL-PKOBYXMFSA-N 2 0 345.531 3.295 10 0 EGAERP Cc1cccnc1[C@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000658109747 462390296 /nfs/dbraw/zinc/39/02/96/462390296.db2.gz WKXIHNWWFPLODJ-SLFFLAALSA-N 2 0 346.563 3.278 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)n1 ZINC000658136482 462400392 /nfs/dbraw/zinc/40/03/92/462400392.db2.gz HBSBNLUINTWGHP-UZLBHIALSA-N 2 0 339.483 3.116 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144513 462406403 /nfs/dbraw/zinc/40/64/03/462406403.db2.gz MMQSJUBTLZCPDZ-FOIQADDNSA-N 2 0 328.431 3.243 10 0 EGAERP OCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CCC1 ZINC000652037252 462412747 /nfs/dbraw/zinc/41/27/47/462412747.db2.gz KKZALUVHEUCRBT-PCCBWWKXSA-N 2 0 342.527 3.429 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2(CO)CCC2)CC1 ZINC000652038412 462414428 /nfs/dbraw/zinc/41/44/28/462414428.db2.gz SXWQXWWBAWJFSX-SFHVURJKSA-N 2 0 330.516 3.224 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652138539 462445875 /nfs/dbraw/zinc/44/58/75/462445875.db2.gz HZSNVOSYOGQXDT-HXUWFJFHSA-N 2 0 344.547 3.319 10 0 EGAERP CC1(C)C[C@H]([NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000658319087 462474955 /nfs/dbraw/zinc/47/49/55/462474955.db2.gz WWHGBLTWLHAXLT-MOPGFXCFSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(F)c(Cl)c2)CC1 ZINC000179515899 534076192 /nfs/dbraw/zinc/07/61/92/534076192.db2.gz DEZMFJLHXINRJZ-ZDUSSCGKSA-N 2 0 328.859 3.004 10 0 EGAERP C[C@H](Cc1ccc(O)cc1)[N@H+](C)Cc1ccc(OCC[NH+](C)C)cc1 ZINC000093324593 546684702 /nfs/dbraw/zinc/68/47/02/546684702.db2.gz OQUNBHWVBRBKED-QGZVFWFLSA-N 2 0 342.483 3.396 10 0 EGAERP C[C@@H]([NH2+]C[C@]1(C)CCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000152982949 546875403 /nfs/dbraw/zinc/87/54/03/546875403.db2.gz AXIAVFOABPQOMS-NQIIRXRSSA-N 2 0 329.532 3.361 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@H]2CCC[C@H]21 ZINC000671743162 548350412 /nfs/dbraw/zinc/35/04/12/548350412.db2.gz LPWJVKTZRADPCB-BHIFYINESA-N 3 0 341.543 3.361 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](OCC)C2)CC1 ZINC000676414311 549084987 /nfs/dbraw/zinc/08/49/87/549084987.db2.gz TYCAMROMZSURSU-HXUWFJFHSA-N 2 0 345.531 3.220 10 0 EGAERP CCC[NH+]1CCC([NH2+][C@@H]2CCN(C)[C@H]2c2ccc(F)c(F)c2)CC1 ZINC000678774110 549558588 /nfs/dbraw/zinc/55/85/88/549558588.db2.gz DUHBKNDKEFTBJT-MOPGFXCFSA-N 2 0 337.458 3.174 10 0 EGAERP COCC[C@@H]1CCCC[N@H+](Cc2ccc(OCC[NH+](C)C)cc2)C1 ZINC000681084502 549952360 /nfs/dbraw/zinc/95/23/60/549952360.db2.gz ILLYYPPUUXSGIF-SFHVURJKSA-N 2 0 334.504 3.266 10 0 EGAERP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897214 574980960 /nfs/dbraw/zinc/98/09/60/574980960.db2.gz LYSAQKNVCAZMLX-SJORKVTESA-N 2 0 339.524 3.098 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)c1ccc(N2CCCC2=O)cc1)C1CC[NH+](C)CC1 ZINC000156916680 1294163176 /nfs/dbraw/zinc/16/31/76/1294163176.db2.gz SWDWXRNGRNQDKT-JKSUJKDBSA-N 2 0 329.488 3.194 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000185059782 1295238242 /nfs/dbraw/zinc/23/82/42/1295238242.db2.gz KWOVQJCKYYYFBT-WDEREUQCSA-N 2 0 345.256 3.286 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235127581 1296182214 /nfs/dbraw/zinc/18/22/14/1296182214.db2.gz VSRGUFVTDASGHC-DZGCQCFKSA-N 2 0 325.294 3.312 10 0 EGAERP CC[N@@H+]1CCC[C@H](CNCC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000236864107 1296207420 /nfs/dbraw/zinc/20/74/20/1296207420.db2.gz AUHVSHFFQKXWJT-HXUWFJFHSA-N 2 0 331.548 3.466 10 0 EGAERP C[NH+](C)CCC[NH2+][C@@H](c1cccc(Br)c1)[C@H]1CCOC1 ZINC000872016855 1296658472 /nfs/dbraw/zinc/65/84/72/1296658472.db2.gz PMBOPOFHPSPLBM-HOCLYGCPSA-N 2 0 341.293 3.068 10 0 EGAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000872024708 1296669677 /nfs/dbraw/zinc/66/96/77/1296669677.db2.gz DEWCDPXYNLVSCO-UFYCRDLUSA-N 2 0 334.479 3.378 10 0 EGAERP [NH3+][C@H](C[C@H]1CCC[N@H+](CCC(=O)NC2CCCC2)C1)C1CCCC1 ZINC000872156196 1296775527 /nfs/dbraw/zinc/77/55/27/1296775527.db2.gz GCQLXPOTCPNKCH-VQIMIIECSA-N 2 0 335.536 3.055 10 0 EGAERP c1ccc(NC2CC([NH2+][C@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000873295200 1297417391 /nfs/dbraw/zinc/41/73/91/1297417391.db2.gz BSLFETFYGPHITM-IQDQWBFVSA-N 2 0 349.478 3.475 10 0 EGAERP CC(C)[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000381294304 1297551322 /nfs/dbraw/zinc/55/13/22/1297551322.db2.gz YIPMVCPQQRJLRM-ILWGZMRPSA-N 2 0 341.543 3.359 10 0 EGAERP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000386487416 1297590675 /nfs/dbraw/zinc/59/06/75/1297590675.db2.gz XAOWFYKEOHQOSZ-ZCNNSNEGSA-N 2 0 344.499 3.220 10 0 EGAERP Cc1ccc(C[NH+]2CCC3(CC[C@@H]3[NH+]3CCOCC3)CC2)cc1C ZINC000581804008 1298013117 /nfs/dbraw/zinc/01/31/17/1298013117.db2.gz ZDSZYWLNLGMDEV-FQEVSTJZSA-N 2 0 328.500 3.380 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3CN(CCC[NH2+]C4CCCCC4)C[C@@H]3C2)cc1 ZINC000706608058 1298223953 /nfs/dbraw/zinc/22/39/53/1298223953.db2.gz LHEIEZZOIHMEFS-NHCUHLMSSA-N 2 0 341.543 3.363 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1CC[C@]2(C1)CCC[NH2+]C2 ZINC000709994711 1298254781 /nfs/dbraw/zinc/25/47/81/1298254781.db2.gz DSKFECRMPSGLQX-RHSMWYFYSA-N 2 0 337.305 3.456 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000715284255 1298280458 /nfs/dbraw/zinc/28/04/58/1298280458.db2.gz WXYGHKFQJMXAFE-BRWVUGGUSA-N 2 0 339.524 3.238 10 0 EGAERP C[N@H+](CCC1CC[NH2+]CC1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719949111 1298326127 /nfs/dbraw/zinc/32/61/27/1298326127.db2.gz XCNCYILAQSNUDU-UHFFFAOYSA-N 3 0 329.532 3.220 10 0 EGAERP C[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535620 1325195839 /nfs/dbraw/zinc/19/58/39/1325195839.db2.gz ZVSFNFIADXDNKR-DFBGVHRSSA-N 2 0 339.277 3.076 10 0 EGAERP C[NH+](C)CCC1CC[NH+](C[C@H]2CCCN2C(=O)OC(C)(C)C)CC1 ZINC000876632232 1298884696 /nfs/dbraw/zinc/88/46/96/1298884696.db2.gz QTBQTIAESIOAFE-QGZVFWFLSA-N 2 0 339.524 3.050 10 0 EGAERP OCC[C@@H]1CCC[C@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886593915 1303515945 /nfs/dbraw/zinc/51/59/45/1303515945.db2.gz BQJLTJKZBDRGCP-JRSUCEMESA-N 2 0 328.500 3.180 10 0 EGAERP OCC[C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886593916 1303516226 /nfs/dbraw/zinc/51/62/26/1303516226.db2.gz BQJLTJKZBDRGCP-SXYSDOLCSA-N 2 0 328.500 3.180 10 0 EGAERP C[C@H](CC(=O)O[C@H](C[N@H+](C)Cc1ccccc1)C1CC1)n1ccnc1 ZINC000893696358 1306033318 /nfs/dbraw/zinc/03/33/18/1306033318.db2.gz GWMSKLNGVGDBAI-VQIMIIECSA-N 2 0 341.455 3.288 10 0 EGAERP COCC1(CNc2ccc(N3CC[N@@H+]4CCC[C@@H]4C3)cc2)CCC1 ZINC000895647109 1309446909 /nfs/dbraw/zinc/44/69/09/1309446909.db2.gz LYCRYCMBHUAYCW-LJQANCHMSA-N 2 0 329.488 3.200 10 0 EGAERP C[C@@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000895646232 1309447072 /nfs/dbraw/zinc/44/70/72/1309447072.db2.gz FONNJGSLPLHUHP-WBVHZDCISA-N 2 0 338.442 3.037 10 0 EGAERP CO[C@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)CC(C)C ZINC000895650949 1309448025 /nfs/dbraw/zinc/44/80/25/1309448025.db2.gz XJOYBXJRWLBASY-FQEVSTJZSA-N 2 0 348.531 3.054 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000895846579 1309556451 /nfs/dbraw/zinc/55/64/51/1309556451.db2.gz QOLINTRCGUOZAB-FPOVZHCZSA-N 2 0 344.499 3.162 10 0 EGAERP c1ccc2ncc(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)cc2c1 ZINC000896830089 1310041592 /nfs/dbraw/zinc/04/15/92/1310041592.db2.gz BUSKXOVWRQJSDN-UHFFFAOYSA-N 2 0 332.451 3.431 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cnc(-c3ccccc3)o2)C1 ZINC000929771416 1328695449 /nfs/dbraw/zinc/69/54/49/1328695449.db2.gz OPIJCQUUQCORCV-SFHVURJKSA-N 2 0 343.471 3.274 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCC2(CNC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858184020 1328705892 /nfs/dbraw/zinc/70/58/92/1328705892.db2.gz HDIWCDKVTXADEA-OAHLLOKOSA-N 2 0 339.524 3.144 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000858194622 1328708470 /nfs/dbraw/zinc/70/84/70/1328708470.db2.gz ICRFKZSSAVEAQZ-WFASDCNBSA-N 2 0 331.287 3.489 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@H]21 ZINC000929842897 1328717535 /nfs/dbraw/zinc/71/75/35/1328717535.db2.gz FNCVPSDWXNRNEP-IAGOWNOFSA-N 2 0 336.520 3.305 10 0 EGAERP CC(C)Cc1ccccc1C[N@@H+]1CC[C@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930135878 1328794949 /nfs/dbraw/zinc/79/49/49/1328794949.db2.gz HMYHACDGQNWDIY-KNQAVFIVSA-N 2 0 343.559 3.343 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC(NCc2cnn(CCF)c2)CC1 ZINC000921750097 1322391296 /nfs/dbraw/zinc/39/12/96/1322391296.db2.gz SQGLVVHITMOTEM-MRXNPFEDSA-N 2 0 330.451 3.168 10 0 EGAERP C[C@H]1C[C@@H](CC[NH2+]Cc2cc[nH]c(=O)c2)C[N@@H+]1Cc1ccccc1 ZINC000921928226 1322424268 /nfs/dbraw/zinc/42/42/68/1322424268.db2.gz SFYLPSCTUIDYBQ-QFBILLFUSA-N 2 0 325.456 3.178 10 0 EGAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2cc3c(cc[nH]c3=O)o2)CC1 ZINC000922502499 1322543897 /nfs/dbraw/zinc/54/38/97/1322543897.db2.gz DEWHUIYDJPBAML-UHFFFAOYSA-N 2 0 329.444 3.420 10 0 EGAERP COC[C@H](C[NH2+]Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000922949651 1322657496 /nfs/dbraw/zinc/65/74/96/1322657496.db2.gz NTABBLDBHPFTTC-IBGZPJMESA-N 2 0 347.547 3.225 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H]2CC(C)(C)OC2(C)C)cc1 ZINC000922952400 1322658503 /nfs/dbraw/zinc/65/85/03/1322658503.db2.gz YCJDPJHKQAHZKZ-QGZVFWFLSA-N 2 0 334.504 3.310 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@]2(C)CCOc3ccccc32)cc1 ZINC000923027144 1322677985 /nfs/dbraw/zinc/67/79/85/1322677985.db2.gz ZSCPKWKWYVXPAV-NRFANRHFSA-N 2 0 340.467 3.415 10 0 EGAERP O=C(CC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1)NC1CCCC1 ZINC000923309116 1322730562 /nfs/dbraw/zinc/73/05/62/1322730562.db2.gz RKQSQTUGSXYEJV-CTXDPNEZSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)c1ccc(-c2noc(C[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)n2)cc1 ZINC000923497737 1322762989 /nfs/dbraw/zinc/76/29/89/1322762989.db2.gz DAECEVBRDJYVPE-PBHICJAKSA-N 2 0 328.460 3.277 10 0 EGAERP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)n2)cc1F ZINC000923502303 1322763859 /nfs/dbraw/zinc/76/38/59/1322763859.db2.gz YSGQRYUFYXQIPC-GOEBONIOSA-N 2 0 346.450 3.033 10 0 EGAERP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)Nc1ccccc1F ZINC000923503550 1322764791 /nfs/dbraw/zinc/76/47/91/1322764791.db2.gz LYUNDLBXLULMLW-MRXNPFEDSA-N 2 0 347.478 3.256 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[N@H+]2CCCC[C@H]2C)n(C)n1 ZINC000924571902 1323057835 /nfs/dbraw/zinc/05/78/35/1323057835.db2.gz IYDUBLNFCMMZSZ-WSTZPKSXSA-N 2 0 332.536 3.294 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000924571894 1323058294 /nfs/dbraw/zinc/05/82/94/1323058294.db2.gz IYDUBLNFCMMZSZ-BJLQDIEVSA-N 2 0 332.536 3.294 10 0 EGAERP C[C@H]([NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1)c1ccns1 ZINC000924644043 1323089916 /nfs/dbraw/zinc/08/99/16/1323089916.db2.gz RARAHTUUYHJPBM-WMZOPIPTSA-N 2 0 344.528 3.173 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000924939760 1323220593 /nfs/dbraw/zinc/22/05/93/1323220593.db2.gz XGDBRLHUQXLERM-CEMLEFRQSA-N 2 0 342.527 3.346 10 0 EGAERP CCC1([NH+]2CCCC2)CC[NH+](C[C@@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000931466203 1329125021 /nfs/dbraw/zinc/12/50/21/1329125021.db2.gz VMCQPWMMEJFGJV-ROUUACIJSA-N 2 0 336.520 3.306 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2C[C@H]3C=C[C@@H]2CC3)CC1 ZINC000925219581 1325084212 /nfs/dbraw/zinc/08/42/12/1325084212.db2.gz DOWJNDLKQMDFHU-FVJLSDCUSA-N 2 0 326.484 3.088 10 0 EGAERP C[C@H]1[C@H](C)OC[C@H]1[NH2+]CCCOC1CC[NH+](Cc2ccccc2)CC1 ZINC000925224339 1325087046 /nfs/dbraw/zinc/08/70/46/1325087046.db2.gz ZOQYTUZADCFMSZ-BBTUJRGHSA-N 2 0 346.515 3.071 10 0 EGAERP CC1(C)CC2(CC([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)C2)CO1 ZINC000925301533 1325118231 /nfs/dbraw/zinc/11/82/31/1325118231.db2.gz ZVMOHBOBTGFRBM-UHFFFAOYSA-N 2 0 329.488 3.235 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481983 1325170291 /nfs/dbraw/zinc/17/02/91/1325170291.db2.gz PKIICUNHKATGMF-CWRNSKLLSA-N 2 0 331.460 3.200 10 0 EGAERP c1nc2ccccc2n1CCC[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925511175 1325184729 /nfs/dbraw/zinc/18/47/29/1325184729.db2.gz HWZDGWMQKAPRRA-QZTJIDSGSA-N 2 0 326.488 3.184 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925533167 1325194647 /nfs/dbraw/zinc/19/46/47/1325194647.db2.gz KKZZAOQZQYHDKM-ROUUACIJSA-N 2 0 331.504 3.164 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C12CCC2 ZINC000925533077 1325195518 /nfs/dbraw/zinc/19/55/18/1325195518.db2.gz JAAYXJLCMBFSAF-LSDHHAIUSA-N 2 0 328.378 3.125 10 0 EGAERP CC1(C)[C@@H](NC[C@@H]2CCC[N@H+](Cc3cccs3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925534174 1325196778 /nfs/dbraw/zinc/19/67/78/1325196778.db2.gz JGVLYBBKKWAZJM-NQYYFHDYSA-N 2 0 347.572 3.326 10 0 EGAERP COc1ccccc1N1CC[C@@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925552694 1325204832 /nfs/dbraw/zinc/20/48/32/1325204832.db2.gz LWXYOTSDUWXAGD-RTBURBONSA-N 2 0 339.483 3.344 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]Cc2ccc(N3CCc4ccccc4C3)nc2)C12CCC2 ZINC000925612060 1325231180 /nfs/dbraw/zinc/23/11/80/1325231180.db2.gz HQLBRQZRAPFVRY-VQTJNVASSA-N 2 0 348.494 3.004 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925629813 1325237314 /nfs/dbraw/zinc/23/73/14/1325237314.db2.gz PGTCPNHMCLGQKI-MTFMMBMASA-N 3 0 329.532 3.393 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCCCC(=O)OCc2ccccc2)C[C@@H]([NH3+])C1 ZINC000925634357 1325241425 /nfs/dbraw/zinc/24/14/25/1325241425.db2.gz KEQPJPXXAQUNAK-MSOLQXFVSA-N 2 0 332.488 3.396 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646084 1325246296 /nfs/dbraw/zinc/24/62/96/1325246296.db2.gz SHTZBJRKPHLGHP-JKSUJKDBSA-N 2 0 347.894 3.225 10 0 EGAERP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925666983 1325255414 /nfs/dbraw/zinc/25/54/14/1325255414.db2.gz WTLVWRQXMMQNTP-NUEKZKHPSA-N 2 0 338.517 3.037 10 0 EGAERP COc1ccc([C@H](OC)[C@H](C)[NH2+][C@H]2CCCN3CCCC[C@H]23)cc1 ZINC000925683459 1325260679 /nfs/dbraw/zinc/26/06/79/1325260679.db2.gz QJGYWOKZWWWJJA-KCUHQSDYSA-N 2 0 332.488 3.378 10 0 EGAERP c1ccc([C@H]2C[C@H]([NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)CCO2)nc1 ZINC000925690313 1325261524 /nfs/dbraw/zinc/26/15/24/1325261524.db2.gz UTUNCBYWESPEQA-FTEYMNFISA-N 2 0 329.488 3.060 10 0 EGAERP Fc1cc2[nH]cc(CC[NH2+][C@@H]3[C@H]4C[C@H]5C[NH2+][C@H]3[C@H]5C4)c2cc1Cl ZINC000925718278 1325268963 /nfs/dbraw/zinc/26/89/63/1325268963.db2.gz JVMLBGJHXPUMHQ-AHHOXBJYSA-N 2 0 333.838 3.089 10 0 EGAERP C[C@]1(C[NH2+][C@H](CCC[NH3+])c2ccccc2)COc2ccccc2O1 ZINC000925721656 1325269625 /nfs/dbraw/zinc/26/96/25/1325269625.db2.gz CIUHAXTWPWHQFC-XLIONFOSSA-N 2 0 326.440 3.286 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730154 1325273393 /nfs/dbraw/zinc/27/33/93/1325273393.db2.gz OAACLHQJERWJTQ-FHWLQOOXSA-N 2 0 336.907 3.001 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1CN[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925785720 1325300988 /nfs/dbraw/zinc/30/09/88/1325300988.db2.gz VGRUKJLCZFNEII-AKHDSKFASA-N 2 0 349.469 3.016 10 0 EGAERP c1cc(CC[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925804174 1325307393 /nfs/dbraw/zinc/30/73/93/1325307393.db2.gz DLINMAFPSZYCAL-PCCBWWKXSA-N 2 0 338.499 3.315 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]Cc1nccc2c1CCCC2 ZINC000925804701 1325308029 /nfs/dbraw/zinc/30/80/29/1325308029.db2.gz BMRJOKAGIOEYBN-DENIHFKCSA-N 2 0 349.478 3.306 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c2ccccc12 ZINC000925810818 1325311646 /nfs/dbraw/zinc/31/16/46/1325311646.db2.gz GKTSDJPFUOTPPY-OALUTQOASA-N 2 0 325.456 3.198 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000925816952 1325315358 /nfs/dbraw/zinc/31/53/58/1325315358.db2.gz MEDHZYKBJRXODT-LPHOPBHVSA-N 2 0 335.923 3.379 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(F)c1 ZINC000925819009 1325315593 /nfs/dbraw/zinc/31/55/93/1325315593.db2.gz XDXZOTIFYYWVEP-NRFANRHFSA-N 2 0 341.474 3.472 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1cccc(F)c1 ZINC000925819010 1325316616 /nfs/dbraw/zinc/31/66/16/1325316616.db2.gz XDXZOTIFYYWVEP-OAQYLSRUSA-N 2 0 341.474 3.472 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)O1 ZINC000925834264 1325320805 /nfs/dbraw/zinc/32/08/05/1325320805.db2.gz MEIYZFIIZJNOBX-CWVYHPPDSA-N 2 0 334.426 3.387 10 0 EGAERP C[C@@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925839348 1325322443 /nfs/dbraw/zinc/32/24/43/1325322443.db2.gz AYQPQVAZXIMUAB-GFOJFJKKSA-N 2 0 327.516 3.019 10 0 EGAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cc(C)ccc1OC ZINC000925843568 1325324677 /nfs/dbraw/zinc/32/46/77/1325324677.db2.gz FGDMNCCYLQKRJR-LJQANCHMSA-N 2 0 333.520 3.120 10 0 EGAERP O=C1O[C@H](C[NH2+][C@@H]2CCCC[C@H]2C2CCCCC2)CC12CC[NH2+]CC2 ZINC000925850541 1325329538 /nfs/dbraw/zinc/32/95/38/1325329538.db2.gz JBXYWKOSKMBXTI-GBESFXJTSA-N 2 0 348.531 3.400 10 0 EGAERP CC(C)Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851931 1325330849 /nfs/dbraw/zinc/33/08/49/1325330849.db2.gz UBPIFWMEEMRZJJ-APWZRJJASA-N 2 0 344.499 3.221 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(Cl)s1 ZINC000925852809 1325330915 /nfs/dbraw/zinc/33/09/15/1325330915.db2.gz IIUQMANDXUWSMQ-RYUDHWBXSA-N 2 0 342.892 3.128 10 0 EGAERP CC(C)C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccccc1 ZINC000925854322 1325331613 /nfs/dbraw/zinc/33/16/13/1325331613.db2.gz RINVVLWZQQFRLC-MSOLQXFVSA-N 2 0 330.472 3.049 10 0 EGAERP Cc1ccc([C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)C2CCCC2)o1 ZINC000925858512 1325332656 /nfs/dbraw/zinc/33/26/56/1325332656.db2.gz UIHJZQSLXBZCEE-WMZOPIPTSA-N 2 0 346.471 3.094 10 0 EGAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+]C1C[C@H]2CC[C@@H](C1)S2 ZINC000926123273 1325437870 /nfs/dbraw/zinc/43/78/70/1325437870.db2.gz BNUBUBUXIXPQMC-YGFFAISXSA-N 2 0 346.540 3.160 10 0 EGAERP C[C@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1cccc(C[NH+](C)C)c1 ZINC000926868071 1327746825 /nfs/dbraw/zinc/74/68/25/1327746825.db2.gz MENDWAMGCCMWPT-HNAYVOBHSA-N 2 0 330.447 3.142 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@](CO)(c2ccccc2)C1)c1cccc(C[NH+](C)C)c1 ZINC000927155763 1327897472 /nfs/dbraw/zinc/89/74/72/1327897472.db2.gz HWGRCHXLMZRVKJ-BULFRSBZSA-N 2 0 338.495 3.492 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@@](O)(c2ccccc2)C1 ZINC000862483831 1329489895 /nfs/dbraw/zinc/48/98/95/1329489895.db2.gz ZGLPJMWHMXOREZ-NRFANRHFSA-N 2 0 348.450 3.059 10 0 EGAERP Cc1nc2ccccn2c1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773939 1329736911 /nfs/dbraw/zinc/73/69/11/1329736911.db2.gz JUBBTBZMZAXOGX-UHFFFAOYSA-N 2 0 348.494 3.396 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](C1CCC1)[C@@H]1CCCO1 ZINC000866248634 1330085097 /nfs/dbraw/zinc/08/50/97/1330085097.db2.gz QFWSXVBVFNLZCD-VQTJNVASSA-N 2 0 332.488 3.064 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)C2)cc1 ZINC000866353119 1330100796 /nfs/dbraw/zinc/10/07/96/1330100796.db2.gz WCRQBNOSZZCNKS-HMXCVIKNSA-N 2 0 328.500 3.446 10 0 EGAERP COC(=O)COc1ccccc1[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866518252 1330121267 /nfs/dbraw/zinc/12/12/67/1330121267.db2.gz VVQUWULGEBPLBL-LSWWBPAMSA-N 2 0 348.487 3.152 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3Cc4ccc(Br)cc4[C@@H]32)[C@H](C)C1 ZINC000866609280 1330132357 /nfs/dbraw/zinc/13/23/57/1330132357.db2.gz HLEAHRFQNPEFSJ-FKHNRKFTSA-N 2 0 349.316 3.407 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1CC2(CCC2)C1)C1CC1)CC(C)(C)C ZINC001323062089 1387278621 /nfs/dbraw/zinc/27/86/21/1387278621.db2.gz FLMHEDOUBHCHDX-SFHVURJKSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1)CC(C)(C)C ZINC001323311439 1387332359 /nfs/dbraw/zinc/33/23/59/1387332359.db2.gz VUWWLQUFOXQKLV-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCCC(C)(C)C)C1CCC1 ZINC001323774102 1387447835 /nfs/dbraw/zinc/44/78/35/1387447835.db2.gz MEAGJDJDGZADDS-KDURUIRLSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001323832303 1387468592 /nfs/dbraw/zinc/46/85/92/1387468592.db2.gz NNQOXAKEDGIGTL-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1)[NH+](CC)CC ZINC001323981457 1387502995 /nfs/dbraw/zinc/50/29/95/1387502995.db2.gz MWYIZSDRVVJIJS-FAFZWHIHSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C2)cc1 ZINC001324087272 1387536097 /nfs/dbraw/zinc/53/60/97/1387536097.db2.gz IBIUHWCPZMNOHU-AZUAARDMSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@H]1C ZINC001324099386 1387542146 /nfs/dbraw/zinc/54/21/46/1387542146.db2.gz VUYWTFBBDCLVCM-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C(C)C)C1CCCC1 ZINC001324466169 1387631949 /nfs/dbraw/zinc/63/19/49/1387631949.db2.gz CSNZIUMBIZNJQL-MOPGFXCFSA-N 2 0 337.552 3.170 10 0 EGAERP C[N@H+](CCC(=O)N[C@@]1(C)CC[NH+](CCC2CC2)C1)C1CCCCC1 ZINC001324632202 1387708431 /nfs/dbraw/zinc/70/84/31/1387708431.db2.gz DJEWUJUMNCPRJO-FQEVSTJZSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001324772093 1387766147 /nfs/dbraw/zinc/76/61/47/1387766147.db2.gz RKANIEHGWXXIRC-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@](C)(C[NH2+]CC(C)C)C1)c1ccccc1 ZINC001324813602 1387782036 /nfs/dbraw/zinc/78/20/36/1387782036.db2.gz ORBUOGLTBODJBM-PZJWPPBQSA-N 2 0 345.531 3.164 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001324936787 1387834233 /nfs/dbraw/zinc/83/42/33/1387834233.db2.gz PKXONZLIKUSKOJ-OAQYLSRUSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001324957876 1387850871 /nfs/dbraw/zinc/85/08/71/1387850871.db2.gz OJVGLTRKCKCIGR-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H]3[C@@H]2CC[NH+]3CCCC(C)(C)C)C1 ZINC001325921024 1388086363 /nfs/dbraw/zinc/08/63/63/1388086363.db2.gz NDRRNXNDFHNMEY-QYZOEREBSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001118804792 1371232842 /nfs/dbraw/zinc/23/28/42/1371232842.db2.gz QBFKSADRAHVXKI-OWCLPIDISA-N 2 0 339.524 3.237 10 0 EGAERP FC1(F)[C@@H]2C[C@@H](C[NH+]3CCC(CCC[NH+]4CCOCC4)CC3)C[C@@H]21 ZINC001119776622 1371403458 /nfs/dbraw/zinc/40/34/58/1371403458.db2.gz LPSSTLBAQCQFEQ-NNZMDNLPSA-N 2 0 342.474 3.102 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001326508255 1388224059 /nfs/dbraw/zinc/22/40/59/1388224059.db2.gz QPLLUVMTWOAVDN-UFYCRDLUSA-N 2 0 347.547 3.236 10 0 EGAERP CCc1ccc(C[N@H+]2CCC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC2)cc1 ZINC001327132367 1388395345 /nfs/dbraw/zinc/39/53/45/1388395345.db2.gz YHZVTVWJKMDTQE-WOJBJXKFSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[N@H+](C)CCCN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001327225667 1388452576 /nfs/dbraw/zinc/45/25/76/1388452576.db2.gz QQHDOMPFWRMIER-DSQZMVHQSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001264122095 1377140155 /nfs/dbraw/zinc/14/01/55/1377140155.db2.gz GFGOPBDSQCMDDJ-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCC[N@H+](CCCC2CCCC2)C1 ZINC001265707715 1377163366 /nfs/dbraw/zinc/16/33/66/1377163366.db2.gz FAJSAPOBRUAUAN-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001265977344 1377174953 /nfs/dbraw/zinc/17/49/53/1377174953.db2.gz YHVZLWKDWSUGAD-MISYRCLQSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)Cc1ccccc1C(C)C ZINC001266109294 1377188920 /nfs/dbraw/zinc/18/89/20/1377188920.db2.gz SRNWALLCKRWBTN-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP CCc1cccc(C[N@H+](C)[C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)c1 ZINC001266119824 1377196190 /nfs/dbraw/zinc/19/61/90/1377196190.db2.gz NGMRDEXYPGKUKG-FQEVSTJZSA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001135753322 1377202826 /nfs/dbraw/zinc/20/28/26/1377202826.db2.gz FQPXWNFKSOHVSE-IBGZPJMESA-N 2 0 343.515 3.162 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CCCC2)CC[N@@H+]1C ZINC001266216511 1377231685 /nfs/dbraw/zinc/23/16/85/1377231685.db2.gz RSJDKGYVKJLWQN-HSALFYBXSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001266240256 1377242505 /nfs/dbraw/zinc/24/25/05/1377242505.db2.gz RPQVKOUNJAQYHK-PMACEKPBSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001266468143 1377314077 /nfs/dbraw/zinc/31/40/77/1377314077.db2.gz KMZIYLLHWIBDTB-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546302 1377330534 /nfs/dbraw/zinc/33/05/34/1377330534.db2.gz SUAIRLJCKWXKGH-IRXDYDNUSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@@H](CC[NH+](C)C)C(=O)Nc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC001136164136 1377359752 /nfs/dbraw/zinc/35/97/52/1377359752.db2.gz HYSQXMJMDGMTBK-IRXDYDNUSA-N 2 0 331.504 3.445 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001266733691 1377370359 /nfs/dbraw/zinc/37/03/59/1377370359.db2.gz YRGQRZKNOYJVGH-ZGXWSNOMSA-N 2 0 349.563 3.316 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@H]2CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001267072549 1377410314 /nfs/dbraw/zinc/41/03/14/1377410314.db2.gz DUGAXZIURIDHBG-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267089863 1377411648 /nfs/dbraw/zinc/41/16/48/1377411648.db2.gz GGMAJPWJPWOCMM-BGEOSOQGSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001137309996 1377513985 /nfs/dbraw/zinc/51/39/85/1377513985.db2.gz XGOZZEIMUGCANS-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H](C[N@H+](C)[C@@H](C)c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741795 1377523772 /nfs/dbraw/zinc/52/37/72/1377523772.db2.gz YLYJVHPSLWWAER-IRXDYDNUSA-N 2 0 331.504 3.059 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H](CC[NH2+]Cc2ccccc2C)C1)[NH+](C)C ZINC001269740387 1377568578 /nfs/dbraw/zinc/56/85/78/1377568578.db2.gz FOWWZYZWGDEJIE-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@]2(C)CCC[N@H+](CCC(C)(C)C)C2)CCC1 ZINC001270966206 1377619999 /nfs/dbraw/zinc/61/99/99/1377619999.db2.gz VQHGFALYGVEKHO-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001270966433 1377620059 /nfs/dbraw/zinc/62/00/59/1377620059.db2.gz YBHGCZSAUNVTPS-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C(C)C ZINC001271445713 1377632237 /nfs/dbraw/zinc/63/22/37/1377632237.db2.gz IDHWEIJCHMOQLY-FQEVSTJZSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CCC[C@@H]2NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001272344197 1377666213 /nfs/dbraw/zinc/66/62/13/1377666213.db2.gz RSTUZTMQTSROOK-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001327488619 1388534038 /nfs/dbraw/zinc/53/40/38/1388534038.db2.gz OJBAAEJPQRLWLH-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001276634335 1378182674 /nfs/dbraw/zinc/18/26/74/1378182674.db2.gz SMNQADDZIIAYFU-APWZRJJASA-N 2 0 343.515 3.106 10 0 EGAERP C[C@]1(NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCC2=CCCCC2)C1 ZINC001278451312 1378271218 /nfs/dbraw/zinc/27/12/18/1378271218.db2.gz VIMNTWTVMYMLLR-NRFANRHFSA-N 2 0 347.547 3.334 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001281939473 1378460029 /nfs/dbraw/zinc/46/00/29/1378460029.db2.gz GUUDRSVVMLRNEI-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001327530368 1388551797 /nfs/dbraw/zinc/55/17/97/1388551797.db2.gz PAVIPFBZSNRDFR-HXUWFJFHSA-N 2 0 337.552 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001281958269 1378465126 /nfs/dbraw/zinc/46/51/26/1378465126.db2.gz ZVRSMBADVQPVEK-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001282167564 1378482804 /nfs/dbraw/zinc/48/28/04/1378482804.db2.gz MDQSRSDJEWZTEE-ROUUACIJSA-N 2 0 345.531 3.161 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCCCCC3)C[C@H]2C1 ZINC001282958240 1378686380 /nfs/dbraw/zinc/68/63/80/1378686380.db2.gz MJHGDZUDLQSNRT-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001283344668 1378829769 /nfs/dbraw/zinc/82/97/69/1378829769.db2.gz WCAKGBZOOMUEAO-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](CC[NH+](C)C)C(=O)N(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@H](C)C1 ZINC001147198223 1378984948 /nfs/dbraw/zinc/98/49/48/1378984948.db2.gz FKQLXIDBJOLSIN-GGPKGHCWSA-N 2 0 345.531 3.086 10 0 EGAERP C[C@H](CN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]C/C=C/c1ccccc1 ZINC001283616895 1379055541 /nfs/dbraw/zinc/05/55/41/1379055541.db2.gz BVUZWIYYEMWBHU-CNLJBLCWSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001283619124 1379057862 /nfs/dbraw/zinc/05/78/62/1379057862.db2.gz YOOFRAJZTNRWMU-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001283676822 1379104636 /nfs/dbraw/zinc/10/46/36/1379104636.db2.gz FOJNPZDCJBUCJP-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]2C)ccc2c[nH+]cn21 ZINC001283883748 1379227881 /nfs/dbraw/zinc/22/78/81/1379227881.db2.gz FHVSASQGOFSQIQ-CRAIPNDOSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCCC[NH+](C)C ZINC001284024927 1379373606 /nfs/dbraw/zinc/37/36/06/1379373606.db2.gz FPVQWVZJIMQHMX-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001284132366 1379515713 /nfs/dbraw/zinc/51/57/13/1379515713.db2.gz PYKMBOSHEDNRED-HGFKVBKKSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001284589641 1379991070 /nfs/dbraw/zinc/99/10/70/1379991070.db2.gz KFJVMIOCQXXVCK-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCC(C)(C)CC1)C(C)(C)C ZINC001284625699 1380027130 /nfs/dbraw/zinc/02/71/30/1380027130.db2.gz RKIXEYTVBXAOLM-QGZVFWFLSA-N 2 0 339.568 3.275 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001284702042 1380117319 /nfs/dbraw/zinc/11/73/19/1380117319.db2.gz JZMICIZTSPZHFZ-PHWHVTFISA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001284702845 1380118422 /nfs/dbraw/zinc/11/84/22/1380118422.db2.gz XNHXVEMMWCXQEH-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001284846120 1380268796 /nfs/dbraw/zinc/26/87/96/1380268796.db2.gz KHMCWTWHOGDYFC-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CCCC1 ZINC001328457893 1388750266 /nfs/dbraw/zinc/75/02/66/1388750266.db2.gz AAGFJZVBAZUBQJ-INIZCTEOSA-N 2 0 331.504 3.036 10 0 EGAERP C/C(=C/C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C)c1ccccc1C ZINC001292949972 1382236204 /nfs/dbraw/zinc/23/62/04/1382236204.db2.gz YFCIXJJZCOTTKO-ZPHPHTNESA-N 2 0 345.531 3.130 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001328588602 1388784457 /nfs/dbraw/zinc/78/44/57/1388784457.db2.gz HCVZNISENDRQNG-LJQANCHMSA-N 2 0 337.552 3.099 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001306833754 1383908401 /nfs/dbraw/zinc/90/84/01/1383908401.db2.gz RFCIJBWZHIZUIQ-QRQLOZEOSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]1C[N@H+](CCN2CCCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001308040771 1384079146 /nfs/dbraw/zinc/07/91/46/1384079146.db2.gz PVBCLXQFFJEFGX-SFHVURJKSA-N 2 0 336.483 3.045 10 0 EGAERP C[C@@H](COCc1ccccc1)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041503 1384079952 /nfs/dbraw/zinc/07/99/52/1384079952.db2.gz VIXCYDRSMCUUAH-MOPGFXCFSA-N 2 0 339.483 3.445 10 0 EGAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC[C@H]1CCOC1)C2 ZINC001308055918 1384081886 /nfs/dbraw/zinc/08/18/86/1384081886.db2.gz FPGFFLXQBPFIJN-PCCBWWKXSA-N 2 0 328.500 3.257 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+]2CCCCC2)C1 ZINC001316667754 1384513041 /nfs/dbraw/zinc/51/30/41/1384513041.db2.gz ZHXXCTJMULOHST-RBUKOAKNSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1=CCCCC1)[NH+](C)C ZINC001316702356 1384530172 /nfs/dbraw/zinc/53/01/72/1384530172.db2.gz ZUEYGEVLVIAZGU-YZGWKJHDSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001316742276 1384556024 /nfs/dbraw/zinc/55/60/24/1384556024.db2.gz OXDWPJYCEXVNTE-IPMKNSEASA-N 2 0 335.536 3.042 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)[C@@H]1C)[NH+](C)C ZINC001316792552 1384586094 /nfs/dbraw/zinc/58/60/94/1384586094.db2.gz KCDSTGBKNVRPKN-UXPWSPDFSA-N 2 0 345.531 3.229 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)CC1 ZINC001316811302 1384608549 /nfs/dbraw/zinc/60/85/49/1384608549.db2.gz LSJBFMRUUCDUOL-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001316812449 1384611075 /nfs/dbraw/zinc/61/10/75/1384611075.db2.gz WMHZOROGVMZCCG-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001316915453 1384685855 /nfs/dbraw/zinc/68/58/55/1384685855.db2.gz XXCTUAWXYFRHOJ-PXNSSMCTSA-N 2 0 343.515 3.121 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001316933521 1384704576 /nfs/dbraw/zinc/70/45/76/1384704576.db2.gz HSQWBQAJPNRZKC-HCZHMGAMSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001316933524 1384704769 /nfs/dbraw/zinc/70/47/69/1384704769.db2.gz HSQWBQAJPNRZKC-PXDRNWIDSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001329041238 1388942117 /nfs/dbraw/zinc/94/21/17/1388942117.db2.gz ZPSZRPSPZRHHDC-HZPDHXFCSA-N 2 0 349.494 3.073 10 0 EGAERP CCCN(C(=O)C12CC[NH+](CC1)C2)C1CC[NH+](CCCC(C)C)CC1 ZINC001317004827 1384764476 /nfs/dbraw/zinc/76/44/76/1384764476.db2.gz DCRXCABXLNJICA-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001317026975 1384793880 /nfs/dbraw/zinc/79/38/80/1384793880.db2.gz OQMCRJNLTXWRFS-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001317038751 1384810602 /nfs/dbraw/zinc/81/06/02/1384810602.db2.gz LHTMHJSPFGZYIG-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317041523 1384814953 /nfs/dbraw/zinc/81/49/53/1384814953.db2.gz CMSZJCABLRUVCH-HKVOBHHDSA-N 2 0 337.552 3.099 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CC[C@H]([NH2+]CCCC(C)(C)C)C2)cc1 ZINC001317064852 1384835360 /nfs/dbraw/zinc/83/53/60/1384835360.db2.gz SXYMPYOQCFFSDF-IBGZPJMESA-N 2 0 345.531 3.379 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC2(CCC2)C1 ZINC001317097481 1384859882 /nfs/dbraw/zinc/85/98/82/1384859882.db2.gz AQPCDUNWAPAVMT-YQQQUEKLSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC001317099360 1384862019 /nfs/dbraw/zinc/86/20/19/1384862019.db2.gz BSQRQVQQKRJYOR-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CC3)CC[C@H]21 ZINC001317103155 1384866709 /nfs/dbraw/zinc/86/67/09/1384866709.db2.gz DMXSTZIUJQOEQT-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317105993 1384870660 /nfs/dbraw/zinc/87/06/60/1384870660.db2.gz POHMTXMEAVFZIP-RLWBPELLSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317139681 1384906294 /nfs/dbraw/zinc/90/62/94/1384906294.db2.gz MXQPTTZNLGIGAG-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317171489 1384938450 /nfs/dbraw/zinc/93/84/50/1384938450.db2.gz BHTTZKCYXMBHJX-ZRAQOITDSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC001317173835 1384942964 /nfs/dbraw/zinc/94/29/64/1384942964.db2.gz QQVNPDWHLVKYPI-YSKLNCTFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001317194616 1384969343 /nfs/dbraw/zinc/96/93/43/1384969343.db2.gz ZNBDQNYEBHEPAN-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001317199519 1384974174 /nfs/dbraw/zinc/97/41/74/1384974174.db2.gz MFSNCYXQOHNSMR-ZRHASKPBSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317202595 1384979693 /nfs/dbraw/zinc/97/96/93/1384979693.db2.gz GKFZKKDUIGUYEV-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001317259520 1385028901 /nfs/dbraw/zinc/02/89/01/1385028901.db2.gz LQKLVNDEHCTOEK-PKOBYXMFSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317293177 1385065945 /nfs/dbraw/zinc/06/59/45/1385065945.db2.gz FFGPLWNCCYBMOL-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317525116 1385245340 /nfs/dbraw/zinc/24/53/40/1385245340.db2.gz DETJESUZXCKUNL-VZSQWMKGSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001317533819 1385263509 /nfs/dbraw/zinc/26/35/09/1385263509.db2.gz XXGYNEUCGZKSTE-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@H](C)NC(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001329125659 1388979655 /nfs/dbraw/zinc/97/96/55/1388979655.db2.gz JIUWBVFPLHIDKP-SJORKVTESA-N 2 0 345.531 3.077 10 0 EGAERP C[C@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001175690149 1385375272 /nfs/dbraw/zinc/37/52/72/1385375272.db2.gz WAOIKAQBIODHEW-MRXNPFEDSA-N 2 0 335.467 3.351 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001317723097 1385424031 /nfs/dbraw/zinc/42/40/31/1385424031.db2.gz DFVBLVBOXPTNDH-FXAWDEMLSA-N 2 0 345.531 3.212 10 0 EGAERP COc1cc2c(cc1OC)[C@@H](C1CC1)[N@H+](CCCn1ccnc1)CC2 ZINC001176062296 1385475209 /nfs/dbraw/zinc/47/52/09/1385475209.db2.gz OTFNUDTZJXFWLZ-HXUWFJFHSA-N 2 0 341.455 3.300 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001317797298 1385491365 /nfs/dbraw/zinc/49/13/65/1385491365.db2.gz MSGKBZYLLMCDNP-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCCC(C)C)C1 ZINC001317810798 1385508707 /nfs/dbraw/zinc/50/87/07/1385508707.db2.gz FRUJTSQSBNDVJT-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001317855867 1385541213 /nfs/dbraw/zinc/54/12/13/1385541213.db2.gz ZADLGRAPJKPEFH-WOJBJXKFSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)CC2CC3(CCC3)C2)CC1 ZINC001317883427 1385562476 /nfs/dbraw/zinc/56/24/76/1385562476.db2.gz BDVDHJXBXFRGGA-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001317949488 1385583433 /nfs/dbraw/zinc/58/34/33/1385583433.db2.gz KFCQBOCXIFNBLD-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001318452668 1385698658 /nfs/dbraw/zinc/69/86/58/1385698658.db2.gz IBEICZKNKHQPNG-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]CC1CCC(C)(C)CC1)[NH+](C)C ZINC001318543094 1385746216 /nfs/dbraw/zinc/74/62/16/1385746216.db2.gz WDYDFGFACBYVCO-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@H](CNC(=O)C1(C[NH+](C)C)CC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318563027 1385759269 /nfs/dbraw/zinc/75/92/69/1385759269.db2.gz UHOQJULIIPOYOO-QZTJIDSGSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001318670165 1385827631 /nfs/dbraw/zinc/82/76/31/1385827631.db2.gz HSTXOFIDIKYPOX-QZTJIDSGSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+][C@@H](C)c2cccc(F)c2)CCCC1 ZINC001318672017 1385830054 /nfs/dbraw/zinc/83/00/54/1385830054.db2.gz VQGJNXRRJZCRJS-INIZCTEOSA-N 2 0 349.494 3.246 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC[NH2+]CCC2CCCC2)CC1)[NH+](C)C ZINC001318914750 1385881052 /nfs/dbraw/zinc/88/10/52/1385881052.db2.gz IHGFTDBPMNMVRF-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH2+]CCC1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001318917606 1385881803 /nfs/dbraw/zinc/88/18/03/1385881803.db2.gz MRIPTXURTAWCPJ-LJQANCHMSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)C1 ZINC001318928633 1385884602 /nfs/dbraw/zinc/88/46/02/1385884602.db2.gz KLMNKISMDDUHLC-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001318984467 1385909372 /nfs/dbraw/zinc/90/93/72/1385909372.db2.gz VEMRWYYEKOQCRF-NCXUSEDFSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319079350 1385953830 /nfs/dbraw/zinc/95/38/30/1385953830.db2.gz XGRAMHGMZAYHBZ-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)C[NH2+]CC1CCC(C)(C)CC1 ZINC001319271431 1386034995 /nfs/dbraw/zinc/03/49/95/1386034995.db2.gz IKOHRWZIWZTDHY-UTKZUKDTSA-N 2 0 349.563 3.031 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319455421 1386129095 /nfs/dbraw/zinc/12/90/95/1386129095.db2.gz SECYWQWYADJANF-OFCQAKPVSA-N 2 0 343.515 3.009 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)CC(C)C ZINC001319642480 1386227405 /nfs/dbraw/zinc/22/74/05/1386227405.db2.gz IYHYOKLJBKCGJZ-VQTJNVASSA-N 2 0 345.531 3.182 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001319649115 1386231807 /nfs/dbraw/zinc/23/18/07/1386231807.db2.gz VWIDHTFCMIZKII-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001319663171 1386241769 /nfs/dbraw/zinc/24/17/69/1386241769.db2.gz MFHLKDPNYYSRJP-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001319695585 1386256091 /nfs/dbraw/zinc/25/60/91/1386256091.db2.gz GOAFJPCKBPMULN-YZPMEYCISA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2CCCC2)C1 ZINC001319830801 1386323935 /nfs/dbraw/zinc/32/39/35/1386323935.db2.gz GPTBELDTPNCOSX-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP c1[nH+]cn2cc(C[NH2+]Cc3ccc(Oc4cnccn4)cc3)ccc12 ZINC001178916452 1386347751 /nfs/dbraw/zinc/34/77/51/1386347751.db2.gz HIUQSTLHDRJIQQ-UHFFFAOYSA-N 2 0 331.379 3.206 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001320048648 1386474420 /nfs/dbraw/zinc/47/44/20/1386474420.db2.gz UAKFZLSGHRWAIK-IEBWSBKVSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N(C)CC[NH+](C)CC1CCCC1)c1ccccc1 ZINC001320067738 1386487698 /nfs/dbraw/zinc/48/76/98/1386487698.db2.gz DEQMXYQRRZUIGG-HXUWFJFHSA-N 2 0 345.531 3.260 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001320149091 1386536054 /nfs/dbraw/zinc/53/60/54/1386536054.db2.gz WJBXEWODEFJURO-APWZRJJASA-N 2 0 342.487 3.321 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001698670204 1406320067 /nfs/dbraw/zinc/32/00/67/1406320067.db2.gz AVGZNWAAOFYJDA-XHHZUUQWSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H]([NH2+]C/C=C\CNC(=O)c1cccc2nccn21)c1ccccc1 ZINC001321155406 1386824656 /nfs/dbraw/zinc/82/46/56/1386824656.db2.gz LPUZYVSMKGGHAU-MJRGOJFPSA-N 2 0 348.450 3.361 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322162248 1387083822 /nfs/dbraw/zinc/08/38/22/1387083822.db2.gz ZZHHPUBPHVBWGO-YQVWRLOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]1CCC[NH+]1C ZINC001322178735 1387089640 /nfs/dbraw/zinc/08/96/40/1387089640.db2.gz ZJPFXTBONWBDNY-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001322259006 1387125062 /nfs/dbraw/zinc/12/50/62/1387125062.db2.gz SOWQCWGEYCBTHL-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001322308256 1387153215 /nfs/dbraw/zinc/15/32/15/1387153215.db2.gz VQUHMWGIDIKENR-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001698701936 1406344280 /nfs/dbraw/zinc/34/42/80/1406344280.db2.gz WLMBSBJKMWNYLE-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001322567605 1387206916 /nfs/dbraw/zinc/20/69/16/1387206916.db2.gz ZSTJMDIEJCSBSC-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001322729846 1387232146 /nfs/dbraw/zinc/23/21/46/1387232146.db2.gz AUCZNBRZJLMDRJ-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001329171094 1389002038 /nfs/dbraw/zinc/00/20/38/1389002038.db2.gz WQOJCTHDXWRZMT-IRXDYDNUSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001329201566 1389018990 /nfs/dbraw/zinc/01/89/90/1389018990.db2.gz CRZQMPXUQNDNES-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CN(C(=O)C1CC[NH+](C)CC1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001329244448 1389034439 /nfs/dbraw/zinc/03/44/39/1389034439.db2.gz YNSZYMKRCIGBAK-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001329255771 1389035979 /nfs/dbraw/zinc/03/59/79/1389035979.db2.gz MUKSSXLYUJFTOM-WAYWQWQTSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001329341557 1389067808 /nfs/dbraw/zinc/06/78/08/1389067808.db2.gz DBIJJAGWGMCUDO-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCCCC1 ZINC001329471203 1389120285 /nfs/dbraw/zinc/12/02/85/1389120285.db2.gz KJFJEQIGTSTZOD-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC(C)C)cc1 ZINC001698719040 1406363569 /nfs/dbraw/zinc/36/35/69/1406363569.db2.gz BUTNXJSKHAVCME-FQEVSTJZSA-N 2 0 345.531 3.313 10 0 EGAERP O=C(NC1(C[NH2+]CCC2CC2)CCCCC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001329829955 1389233192 /nfs/dbraw/zinc/23/31/92/1389233192.db2.gz VZRATTUDEUANPW-OALUTQOASA-N 2 0 347.547 3.212 10 0 EGAERP C[C@H]([NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)C2)CCCCC1)c1ccccc1 ZINC001329861455 1389238860 /nfs/dbraw/zinc/23/88/60/1389238860.db2.gz SJPUVECHTCKDKF-PKOBYXMFSA-N 2 0 343.515 3.108 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)c2ccc(C[NH+](C)C)cc2)cc1 ZINC001698720285 1406365584 /nfs/dbraw/zinc/36/55/84/1406365584.db2.gz YZXYNJYRJAMKHJ-UHFFFAOYSA-N 2 0 339.483 3.178 10 0 EGAERP CC1CC(C[NH+]2CCC(CCNC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)C1 ZINC001698722783 1406369833 /nfs/dbraw/zinc/36/98/33/1406369833.db2.gz KXCUUVCRHADCHO-UUKMXZOPSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(F)c2)CC1(C)C ZINC001330261360 1389368917 /nfs/dbraw/zinc/36/89/17/1389368917.db2.gz GFZHTMUJDAYTHX-MAUKXSAKSA-N 2 0 349.494 3.054 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001330473921 1389425219 /nfs/dbraw/zinc/42/52/19/1389425219.db2.gz BTDCDNJMJRTSNW-SLFFLAALSA-N 2 0 347.547 3.045 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2)C1 ZINC001330501876 1389434987 /nfs/dbraw/zinc/43/49/87/1389434987.db2.gz KJVRZPOMHYSUJB-OLHLWXQYSA-N 2 0 349.563 3.243 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001331043943 1389607501 /nfs/dbraw/zinc/60/75/01/1389607501.db2.gz FAOQDDAAXSZYPI-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001331068309 1389617567 /nfs/dbraw/zinc/61/75/67/1389617567.db2.gz IDDGNZBNEGCLNA-MJGOQNOKSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001331576940 1389811229 /nfs/dbraw/zinc/81/12/29/1389811229.db2.gz YCRCPFQPLWEWGR-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001331820267 1389879877 /nfs/dbraw/zinc/87/98/77/1389879877.db2.gz GSFJKRUYPRKODQ-VHKYSDTDSA-N 2 0 342.462 3.084 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001331920636 1389911344 /nfs/dbraw/zinc/91/13/44/1389911344.db2.gz ZSBULAULDLQIBI-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@H]1[N@H+](Cc1ccccc1)CC2 ZINC001332114784 1389992463 /nfs/dbraw/zinc/99/24/63/1389992463.db2.gz AISDXQKSNTVQCN-CTNGQTDRSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001332145762 1390006483 /nfs/dbraw/zinc/00/64/83/1390006483.db2.gz KHNWORFXMSULGO-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCn2ccnc2)CCC[N@@H+]1CCC1CCCCC1 ZINC001332201777 1390038434 /nfs/dbraw/zinc/03/84/34/1390038434.db2.gz XFKZAPYOBUGJKM-IEBWSBKVSA-N 2 0 346.519 3.213 10 0 EGAERP C[C@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001332215393 1390047181 /nfs/dbraw/zinc/04/71/81/1390047181.db2.gz ARPVHZIXMNSAHP-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001332263957 1390068777 /nfs/dbraw/zinc/06/87/77/1390068777.db2.gz WAJXPZUVFKZQDL-ROUUACIJSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001332270367 1390071390 /nfs/dbraw/zinc/07/13/90/1390071390.db2.gz CAYQFIHQJAEGAE-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)NC[C@@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001332507765 1390129437 /nfs/dbraw/zinc/12/94/37/1390129437.db2.gz SWROIASRUMWKRN-NXHRZFHOSA-N 2 0 349.906 3.111 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C)C1CCC1 ZINC001332806806 1390191374 /nfs/dbraw/zinc/19/13/74/1390191374.db2.gz MPOYBIVPFKNRAH-SFHVURJKSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1c(C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C)ccc2c[nH+]cn21 ZINC001332822921 1390193899 /nfs/dbraw/zinc/19/38/99/1390193899.db2.gz FTPYAMNRUCGWTQ-GOSISDBHSA-N 2 0 344.503 3.423 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826516 1390195419 /nfs/dbraw/zinc/19/54/19/1390195419.db2.gz QCYLSRBYUFBLDM-ZWKOTPCHSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC1 ZINC001332861699 1390204221 /nfs/dbraw/zinc/20/42/21/1390204221.db2.gz UGSFMYULMKQSDM-IBGZPJMESA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCC1CCCC1)C(C)(C)C)[NH+](C)C ZINC001332882091 1390208309 /nfs/dbraw/zinc/20/83/09/1390208309.db2.gz QYDCTHFCKSEGMM-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CCC[NH+]1CCC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001332949964 1390222577 /nfs/dbraw/zinc/22/25/77/1390222577.db2.gz NLNFHRFGVCUSFU-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001333012489 1390236308 /nfs/dbraw/zinc/23/63/08/1390236308.db2.gz AGMPFVXLZMOOPJ-KRWDZBQOSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001333071694 1390245241 /nfs/dbraw/zinc/24/52/41/1390245241.db2.gz YWIZNNGIROORSR-CTWPCTMYSA-N 2 0 335.536 3.019 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC001335059504 1390636667 /nfs/dbraw/zinc/63/66/67/1390636667.db2.gz GZMZVGYXYBATQP-CYSNLQCGSA-N 2 0 332.532 3.434 10 0 EGAERP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cc(-n2cccc2)ccn1 ZINC001347485055 1391082168 /nfs/dbraw/zinc/08/21/68/1391082168.db2.gz NZKWGZDEVZXNRG-UHFFFAOYSA-N 2 0 344.378 3.014 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@@H](C)F)CCCC1 ZINC001698804118 1406483258 /nfs/dbraw/zinc/48/32/58/1406483258.db2.gz SFTUSAAKXBWPGP-SJORKVTESA-N 2 0 341.515 3.016 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[N@H+](C3CCCC3)[C@@H](C)C2)o1 ZINC001349383959 1391325460 /nfs/dbraw/zinc/32/54/60/1391325460.db2.gz PHALNQFLERQZRB-INIZCTEOSA-N 2 0 347.503 3.210 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479295642 1392206907 /nfs/dbraw/zinc/20/69/07/1392206907.db2.gz RPDMAXWWOGAMET-CALCHBBNSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001479476729 1392251623 /nfs/dbraw/zinc/25/16/23/1392251623.db2.gz WUOWGMZMJCRXQV-YSIASYRMSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001479746989 1392363518 /nfs/dbraw/zinc/36/35/18/1392363518.db2.gz VTBSEQLDAMNOGQ-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2ccccc2)CC(C)(C)C1 ZINC001479748673 1392366388 /nfs/dbraw/zinc/36/63/88/1392366388.db2.gz ZXJBIORCPINCOK-IBGZPJMESA-N 2 0 345.531 3.134 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001479957397 1392494051 /nfs/dbraw/zinc/49/40/51/1392494051.db2.gz XNQIYDFIMWBAGW-JTGQJZMRSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480039953 1392545668 /nfs/dbraw/zinc/54/56/68/1392545668.db2.gz CHEAULLDTOLTLJ-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC1CCC(C[NH2+][C@@H](CNC(=O)CC2CC[NH+](C)CC2)C2CC2)CC1 ZINC001480051624 1392552132 /nfs/dbraw/zinc/55/21/32/1392552132.db2.gz TWEFCHWPJOKZQN-NLPFYKDJSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC[C@H]([NH2+]CC2CCCC2)C2CC2)c1 ZINC001480067304 1392558948 /nfs/dbraw/zinc/55/89/48/1392558948.db2.gz ZTZSNFJDTSRQFD-FQEVSTJZSA-N 2 0 343.515 3.036 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@H](C[NH+](C)CCC3CC3)C2)C1 ZINC001480082258 1392571336 /nfs/dbraw/zinc/57/13/36/1392571336.db2.gz PJHNEMHYYFRGCL-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+](C)C ZINC001480102397 1392586343 /nfs/dbraw/zinc/58/63/43/1392586343.db2.gz FGUIIFWPZSPDHQ-YSIASYRMSA-N 2 0 343.515 3.155 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCC1 ZINC001480179823 1392612333 /nfs/dbraw/zinc/61/23/33/1392612333.db2.gz PRKGVCRCLRCNMZ-YGFFAISXSA-N 2 0 347.547 3.163 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001480190260 1392619766 /nfs/dbraw/zinc/61/97/66/1392619766.db2.gz YTEMQRRAKKWKSI-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1ccc(Cl)cc1 ZINC001480208139 1392623108 /nfs/dbraw/zinc/62/31/08/1392623108.db2.gz OTMHDWLTIAEMIF-RRQGHBQHSA-N 2 0 349.906 3.122 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001480232619 1392629569 /nfs/dbraw/zinc/62/95/69/1392629569.db2.gz OUMVJVMMZGVKBO-QVWVHEHFSA-N 2 0 335.536 3.090 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001480257764 1392641653 /nfs/dbraw/zinc/64/16/53/1392641653.db2.gz MLEAHQJNLJIQRH-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480283413 1392658921 /nfs/dbraw/zinc/65/89/21/1392658921.db2.gz JOFGQVKGFFAZRK-OBNUAKFSSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001480286821 1392660118 /nfs/dbraw/zinc/66/01/18/1392660118.db2.gz VBMLETGNWKINEQ-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001480331065 1392690257 /nfs/dbraw/zinc/69/02/57/1392690257.db2.gz KNYHGPDRASXVAY-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[NH+]2CCCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001480332938 1392692340 /nfs/dbraw/zinc/69/23/40/1392692340.db2.gz UVYUPFLEMDDLBF-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001480597755 1392812547 /nfs/dbraw/zinc/81/25/47/1392812547.db2.gz UKBDBTQYOQPLME-IEBWSBKVSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001480597902 1392812943 /nfs/dbraw/zinc/81/29/43/1392812943.db2.gz WCKLXWZMVDPARO-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001480723787 1392885188 /nfs/dbraw/zinc/88/51/88/1392885188.db2.gz DKKHSSCHBZMZOF-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001480772997 1392924741 /nfs/dbraw/zinc/92/47/41/1392924741.db2.gz SFCPLXDINTTWLS-XLIONFOSSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H](C(=O)NCC[N@H+](C)CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001480920202 1393020637 /nfs/dbraw/zinc/02/06/37/1393020637.db2.gz JJSFARBBUBOAGQ-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NCC[NH+](C)CCC(C)(C)C)c1ccccc1 ZINC001480934484 1393030688 /nfs/dbraw/zinc/03/06/88/1393030688.db2.gz LMGUHDSRFPWIFU-SFHVURJKSA-N 2 0 333.520 3.164 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)cc1 ZINC001481054175 1393107635 /nfs/dbraw/zinc/10/76/35/1393107635.db2.gz LPVJRHHLZHVPSE-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC[N@H+](CC2=CCCCC2)C2CC2)C1 ZINC001481194394 1393147410 /nfs/dbraw/zinc/14/74/10/1393147410.db2.gz HFVQIMUDFJBBCP-UYAOXDASSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481335837 1393166312 /nfs/dbraw/zinc/16/63/12/1393166312.db2.gz RVYFVPLRCWSKKP-QRMWTIMZSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CCC1=CCCCC1 ZINC001481347993 1393171499 /nfs/dbraw/zinc/17/14/99/1393171499.db2.gz PPARERINRLKQLX-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCC1 ZINC001490355206 1393179159 /nfs/dbraw/zinc/17/91/59/1393179159.db2.gz GSARRJNDVXBMCD-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCCC1 ZINC001698882758 1406613758 /nfs/dbraw/zinc/61/37/58/1406613758.db2.gz IOVBZDFVUCCBOC-IBGZPJMESA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001698922034 1406657547 /nfs/dbraw/zinc/65/75/47/1406657547.db2.gz ZLEZZIZFEZSPFH-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938773 1406678881 /nfs/dbraw/zinc/67/88/81/1406678881.db2.gz NWZIDNXJZMUBHK-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001481400328 1394248598 /nfs/dbraw/zinc/24/85/98/1394248598.db2.gz PQGSRCBNKUONPR-YZGWKJHDSA-N 2 0 349.563 3.220 10 0 EGAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481410545 1394267781 /nfs/dbraw/zinc/26/77/81/1394267781.db2.gz JJAHBPZOOIXSQY-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@H]1CC[N@H+](C[C@@H](C)CC(C)C)C1 ZINC001481410544 1394267804 /nfs/dbraw/zinc/26/78/04/1394267804.db2.gz JJAHBPZOOIXSQY-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)C2)C1 ZINC001481506651 1394352649 /nfs/dbraw/zinc/35/26/49/1394352649.db2.gz IUAGNIWNUOZQPO-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C[NH+](C)CCC2=CCCCC2)CC1 ZINC001481520297 1394370605 /nfs/dbraw/zinc/37/06/05/1394370605.db2.gz KFZWENLCLKXHEW-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001490981729 1394392290 /nfs/dbraw/zinc/39/22/90/1394392290.db2.gz JRQSCUYEOYBLBV-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001481696735 1394458122 /nfs/dbraw/zinc/45/81/22/1394458122.db2.gz SQYJEZHOUSDMAW-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001491264996 1394496705 /nfs/dbraw/zinc/49/67/05/1394496705.db2.gz SCCZSIFXKBFEFN-MOPGFXCFSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001481753836 1394498888 /nfs/dbraw/zinc/49/88/88/1394498888.db2.gz YWECAUXWOKYZCM-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001491818187 1394536020 /nfs/dbraw/zinc/53/60/20/1394536020.db2.gz ZIXUXWMRYQDQIY-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C/Cl ZINC001481844748 1394555544 /nfs/dbraw/zinc/55/55/44/1394555544.db2.gz SOPAGLWHEHTYPV-GVUMGAFJSA-N 2 0 341.927 3.020 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960106 1394621012 /nfs/dbraw/zinc/62/10/12/1394621012.db2.gz BAJGFCYXCREPNO-LAUBAEHRSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](CC[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001481978263 1394640254 /nfs/dbraw/zinc/64/02/54/1394640254.db2.gz SCVVQQUMMZGCNF-MISYRCLQSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001482002098 1394661445 /nfs/dbraw/zinc/66/14/45/1394661445.db2.gz ZIAULJBCVVSGFL-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001482044556 1394706079 /nfs/dbraw/zinc/70/60/79/1394706079.db2.gz ZROOXOWTOKYZPN-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC2(C[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC001482246039 1394843290 /nfs/dbraw/zinc/84/32/90/1394843290.db2.gz WEPWXEZSAVROGU-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001482302239 1394878115 /nfs/dbraw/zinc/87/81/15/1394878115.db2.gz DMULTYWBOKXXKV-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001482303002 1394878636 /nfs/dbraw/zinc/87/86/36/1394878636.db2.gz UIHOQGPKVBMXNV-PTZVLDCSSA-N 2 0 342.487 3.439 10 0 EGAERP CC[C@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001482317954 1394888098 /nfs/dbraw/zinc/88/80/98/1394888098.db2.gz SWKIGOIYLDSZQN-HKUYNNGSSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001482369536 1394932001 /nfs/dbraw/zinc/93/20/01/1394932001.db2.gz NDPMYMDZCNCDCR-HUUCEWRRSA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482385205 1394946144 /nfs/dbraw/zinc/94/61/44/1394946144.db2.gz HIGQRKCQIXKBKU-AZUAARDMSA-N 2 0 349.563 3.480 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001482425511 1394986500 /nfs/dbraw/zinc/98/65/00/1394986500.db2.gz SEXZEYBKKZPNNC-CQQBRXBZSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001482450204 1395008693 /nfs/dbraw/zinc/00/86/93/1395008693.db2.gz UGVKPSDZNOVAMP-RTBURBONSA-N 2 0 337.552 3.266 10 0 EGAERP CCN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001482954492 1395098286 /nfs/dbraw/zinc/09/82/86/1395098286.db2.gz GNRWKVWSRPZELA-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@@H](C(=O)N(C)C1C[NH+](CC2CCCCCC2)C1)[NH+](CC)CC ZINC001483880030 1395126027 /nfs/dbraw/zinc/12/60/27/1395126027.db2.gz RUFUYKJCSOBGGU-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001483958395 1395162585 /nfs/dbraw/zinc/16/25/85/1395162585.db2.gz HEPUHHPYOTVAOF-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001483959205 1395162888 /nfs/dbraw/zinc/16/28/88/1395162888.db2.gz OAYKWHPJRLUCNB-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CC3CCCCCC3)CC2)C1 ZINC001483974178 1395170603 /nfs/dbraw/zinc/17/06/03/1395170603.db2.gz UQLJYJBJLLXHLC-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CCCC3CCC3)C2)C1 ZINC001484023041 1395194855 /nfs/dbraw/zinc/19/48/55/1395194855.db2.gz UMPOIHQDFZVUJU-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001484047221 1395211980 /nfs/dbraw/zinc/21/19/80/1395211980.db2.gz ITHODJOBOAVUTN-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH+]1CC[C@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484053227 1395216081 /nfs/dbraw/zinc/21/60/81/1395216081.db2.gz BEYBFEUGVYNXHZ-FQEVSTJZSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001484060943 1395224260 /nfs/dbraw/zinc/22/42/60/1395224260.db2.gz NDXQZXMBXSJKDX-XLIONFOSSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001484358989 1395345224 /nfs/dbraw/zinc/34/52/24/1395345224.db2.gz QKBMWVQFTMPVOZ-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001484555904 1395436271 /nfs/dbraw/zinc/43/62/71/1395436271.db2.gz CIMWGYPPKWKOSB-HXUWFJFHSA-N 2 0 345.531 3.267 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001484562188 1395448608 /nfs/dbraw/zinc/44/86/08/1395448608.db2.gz XHZPYSSPEBAPDS-IAGOWNOFSA-N 2 0 343.515 3.095 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2=CCCCC2)C1 ZINC001484618507 1395452471 /nfs/dbraw/zinc/45/24/71/1395452471.db2.gz SSUKHMBELVNEBK-AZUAARDMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001484716348 1395476511 /nfs/dbraw/zinc/47/65/11/1395476511.db2.gz ITLPUZQDDGJUAG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[NH+]1CCC(CCCCCNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001484821150 1395556241 /nfs/dbraw/zinc/55/62/41/1395556241.db2.gz NZWWQAKXJAHSOK-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001484982649 1395622561 /nfs/dbraw/zinc/62/25/61/1395622561.db2.gz TYRJIKOHQQRVTE-WMZOPIPTSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185437 1395691542 /nfs/dbraw/zinc/69/15/42/1395691542.db2.gz FCDWRERNQHAISO-SJORKVTESA-N 2 0 345.531 3.135 10 0 EGAERP CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698994539 1406789906 /nfs/dbraw/zinc/78/99/06/1406789906.db2.gz DBMKQQMACTYJRV-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH+]2CCCCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001485486618 1395972664 /nfs/dbraw/zinc/97/26/64/1395972664.db2.gz ZESDYIZZFPKEHE-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[N@H+](CCCC(C)(C)C)CC2(C)C)CCC1 ZINC001485570664 1396035946 /nfs/dbraw/zinc/03/59/46/1396035946.db2.gz FUNPLQVCBUYOQG-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C ZINC001485581585 1396056906 /nfs/dbraw/zinc/05/69/06/1396056906.db2.gz GWAIIVYTLXGBSR-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCc1cccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001485735382 1396122650 /nfs/dbraw/zinc/12/26/50/1396122650.db2.gz GJXKIVCUQJLMFW-PXNSSMCTSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccc(C)c(C[NH+](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001485767809 1396145116 /nfs/dbraw/zinc/14/51/16/1396145116.db2.gz OEZOHFAIQILTQR-UHFFFAOYSA-N 2 0 345.531 3.066 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001485780072 1396150191 /nfs/dbraw/zinc/15/01/91/1396150191.db2.gz RFNZIDMCAGJVSO-VQTJNVASSA-N 2 0 345.531 3.497 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001486090138 1396176611 /nfs/dbraw/zinc/17/66/11/1396176611.db2.gz FQNDUGLHHDGMSA-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001486146771 1396179685 /nfs/dbraw/zinc/17/96/85/1396179685.db2.gz LFLHVGSHIAQGHN-CTNGQTDRSA-N 2 0 347.547 3.164 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001499957410 1396185201 /nfs/dbraw/zinc/18/52/01/1396185201.db2.gz BXIIBFMKOKJLKZ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC001502520376 1396200234 /nfs/dbraw/zinc/20/02/34/1396200234.db2.gz XAZCHHCOUCKTIF-FQEVSTJZSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001505400433 1396288232 /nfs/dbraw/zinc/28/82/32/1396288232.db2.gz PIKRMPOSUALQTI-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001492092604 1396303916 /nfs/dbraw/zinc/30/39/16/1396303916.db2.gz XDWLCHVDEVCXKK-IEBWSBKVSA-N 2 0 335.536 3.234 10 0 EGAERP CC[N@H+](CCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1cc(C)ccc1C ZINC001492966136 1396330049 /nfs/dbraw/zinc/33/00/49/1396330049.db2.gz QSICRMHYMXDTKS-SFHVURJKSA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H]1CNC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001493126771 1396336311 /nfs/dbraw/zinc/33/63/11/1396336311.db2.gz ZNSQGMZXYKJLOO-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001493126601 1396336384 /nfs/dbraw/zinc/33/63/84/1396336384.db2.gz VWFVEKBXDYYHDL-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001493831901 1396343519 /nfs/dbraw/zinc/34/35/19/1396343519.db2.gz QJDFTXKKMQFYBV-ICSRJNTNSA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001493831340 1396343580 /nfs/dbraw/zinc/34/35/80/1396343580.db2.gz NITNEDHMTFUVOM-WRFKIARRSA-N 2 0 347.547 3.188 10 0 EGAERP CCCN(C(=O)C1CC[NH+](C)CC1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001493962920 1396346410 /nfs/dbraw/zinc/34/64/10/1396346410.db2.gz XSDDTDHTFDHKII-FQEVSTJZSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001494576915 1396475034 /nfs/dbraw/zinc/47/50/34/1396475034.db2.gz KINLYWFFEMCGMK-ROUUACIJSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001495601086 1396547843 /nfs/dbraw/zinc/54/78/43/1396547843.db2.gz DLFHAWZYAZTHCR-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001495964042 1396580277 /nfs/dbraw/zinc/58/02/77/1396580277.db2.gz WLQOPQTUOPLBDB-IBGZPJMESA-N 2 0 349.563 3.482 10 0 EGAERP C[C@@H](C[NH2+]Cc1cc2ccccc2s1)N(C)C(=O)CCC[NH+](C)C ZINC001496145342 1396610978 /nfs/dbraw/zinc/61/09/78/1396610978.db2.gz PPKLHEOAXRJBPS-HNNXBMFYSA-N 2 0 347.528 3.180 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001496426234 1396703730 /nfs/dbraw/zinc/70/37/30/1396703730.db2.gz HADVBEOUHUTHTO-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001689055891 1396855525 /nfs/dbraw/zinc/85/55/25/1396855525.db2.gz MVEPAWHFAYEQGW-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001498454216 1396999694 /nfs/dbraw/zinc/99/96/94/1396999694.db2.gz AVDKOQCCROUIKG-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001498456872 1397004559 /nfs/dbraw/zinc/00/45/59/1397004559.db2.gz QHKUYXWKWLOYGA-QGZVFWFLSA-N 2 0 347.547 3.261 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001689271547 1397006705 /nfs/dbraw/zinc/00/67/05/1397006705.db2.gz LYSIOUVMWALXIL-IBGZPJMESA-N 2 0 337.552 3.413 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CCC(C)(C)C ZINC001689354257 1403687122 /nfs/dbraw/zinc/68/71/22/1403687122.db2.gz ZZGFBECUGCAUFM-SFHVURJKSA-N 2 0 339.568 3.467 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001689365857 1403706048 /nfs/dbraw/zinc/70/60/48/1403706048.db2.gz PWTSKSSNFFICKD-LJQANCHMSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001689834698 1404165142 /nfs/dbraw/zinc/16/51/42/1404165142.db2.gz UFHIZGWBTFCYNQ-QGZVFWFLSA-N 2 0 347.547 3.435 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001690260013 1404433993 /nfs/dbraw/zinc/43/39/93/1404433993.db2.gz PJTBWTQUPFDORD-HMTUNPETSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001690341308 1404483883 /nfs/dbraw/zinc/48/38/83/1404483883.db2.gz OCJNJOMEVKOZNL-SCTDSRPQSA-N 2 0 349.563 3.457 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@@H]([NH2+]CC3CCCCC3)C2)CCCCC1 ZINC001690349508 1404486951 /nfs/dbraw/zinc/48/69/51/1404486951.db2.gz BFHINWHCBNYVLK-KDURUIRLSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690413780 1404545436 /nfs/dbraw/zinc/54/54/36/1404545436.db2.gz KIWUNMDBQUXPLH-KRWDZBQOSA-N 2 0 340.471 3.051 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690502578 1404616182 /nfs/dbraw/zinc/61/61/82/1404616182.db2.gz ZWZBUOFBRSNBAE-MGBKSAOESA-N 2 0 349.563 3.434 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001690628826 1404664054 /nfs/dbraw/zinc/66/40/54/1404664054.db2.gz WDHFWJXOJUBGPC-ROUUACIJSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1c(C(=O)N2CC[C@H](C[NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001690718224 1404696833 /nfs/dbraw/zinc/69/68/33/1404696833.db2.gz DCXRDLHQGUFJRB-MRXNPFEDSA-N 2 0 342.487 3.131 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001690741628 1404704424 /nfs/dbraw/zinc/70/44/24/1404704424.db2.gz UUEMVEWHLNLVRI-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001690757994 1404711942 /nfs/dbraw/zinc/71/19/42/1404711942.db2.gz SQYBYRSMWYYYFT-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001690814102 1404748766 /nfs/dbraw/zinc/74/87/66/1404748766.db2.gz AOBMVKKFPXAFAT-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)c1ccccc1 ZINC001691026193 1404938242 /nfs/dbraw/zinc/93/82/42/1404938242.db2.gz VFSIHBYYALIWRY-GOSISDBHSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1ccc(C)cc1)[NH+](CC)CC ZINC001691097226 1405033699 /nfs/dbraw/zinc/03/36/99/1405033699.db2.gz HYCQETWQSROJEZ-WOJBJXKFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691143377 1405076233 /nfs/dbraw/zinc/07/62/33/1405076233.db2.gz PJNRJTZRGKMETD-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001691147230 1405080141 /nfs/dbraw/zinc/08/01/41/1405080141.db2.gz QLXMDHQYQBAWDX-XLAORIBOSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691150668 1405084198 /nfs/dbraw/zinc/08/41/98/1405084198.db2.gz UAMUKZHRNJJYMU-FHWLQOOXSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001691160364 1405096709 /nfs/dbraw/zinc/09/67/09/1405096709.db2.gz XHXJNIPBOHDEFZ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001691172614 1405108189 /nfs/dbraw/zinc/10/81/89/1405108189.db2.gz LFTWZFTXEIPBNX-LNLFQRSKSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H]2CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001691394657 1405231987 /nfs/dbraw/zinc/23/19/87/1405231987.db2.gz BYOVUFZQMZYONK-MOPGFXCFSA-N 2 0 345.531 3.239 10 0 EGAERP CC(C)CCC[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001691444727 1405272826 /nfs/dbraw/zinc/27/28/26/1405272826.db2.gz RSFTXJQDCCCVCN-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001691534279 1405327469 /nfs/dbraw/zinc/32/74/69/1405327469.db2.gz YHUCTRHUPDPENR-LWYYNNOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001691601451 1405352033 /nfs/dbraw/zinc/35/20/33/1405352033.db2.gz CZVRPKVMGBGCMW-ZWKOTPCHSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001691636004 1405371788 /nfs/dbraw/zinc/37/17/88/1405371788.db2.gz BZJZHYIIXBVAKY-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)C[C@H]2CC[NH+]2CCC2CCCCCC2)C1 ZINC001691661612 1405395015 /nfs/dbraw/zinc/39/50/15/1405395015.db2.gz VWPZRHUGERGJPH-UYAOXDASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677655 1405412002 /nfs/dbraw/zinc/41/20/02/1405412002.db2.gz FOLDHUJFSXETDH-RBUKOAKNSA-N 2 0 349.563 3.076 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001691680002 1405415668 /nfs/dbraw/zinc/41/56/68/1405415668.db2.gz ZUBINLSAZOZKHU-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691739133 1405460981 /nfs/dbraw/zinc/46/09/81/1405460981.db2.gz WUHXVZWTVCZGPG-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001691758091 1405474713 /nfs/dbraw/zinc/47/47/13/1405474713.db2.gz RUEYJMQWDUVIHQ-ZCNNSNEGSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC001731318048 1427259203 /nfs/dbraw/zinc/25/92/03/1427259203.db2.gz XJKZRQMGCVIDER-SJORKVTESA-N 2 0 349.494 3.057 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)c1ccccc1 ZINC001691805384 1405518033 /nfs/dbraw/zinc/51/80/33/1405518033.db2.gz JDCFCDLCSGZZBD-PMACEKPBSA-N 2 0 345.531 3.354 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731415816 1427385970 /nfs/dbraw/zinc/38/59/70/1427385970.db2.gz IPTVKFVPSAJHMC-RBUKOAKNSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001691898495 1405620947 /nfs/dbraw/zinc/62/09/47/1405620947.db2.gz QNKJIGNKPAWUKK-PXPVJAHISA-N 2 0 347.547 3.189 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NCC[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001691924091 1405654775 /nfs/dbraw/zinc/65/47/75/1405654775.db2.gz HGLQGYIEVXJFEZ-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CC[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)C[NH+]2CCCC2)C1)c1ccccc1 ZINC001691951569 1405670775 /nfs/dbraw/zinc/67/07/75/1405670775.db2.gz OONZZMGNZZARGM-DFQSSKMNSA-N 2 0 343.515 3.108 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001692157389 1405809993 /nfs/dbraw/zinc/80/99/93/1405809993.db2.gz GWVZQFQOFSRBQK-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCCCC1 ZINC001692188320 1405828368 /nfs/dbraw/zinc/82/83/68/1405828368.db2.gz DBZPMWFKNHHKJC-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)[C@H]1C ZINC001692234557 1405861442 /nfs/dbraw/zinc/86/14/42/1405861442.db2.gz OOMINZCWCZXXDY-CNTTWCMLSA-N 2 0 343.515 3.297 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001731857100 1428091301 /nfs/dbraw/zinc/09/13/01/1428091301.db2.gz LGVVXVUFOVSYAA-RBUKOAKNSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001692319077 1405937484 /nfs/dbraw/zinc/93/74/84/1405937484.db2.gz MIOOPNAEZKNHJI-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]C[C@@H](C)CC)C1 ZINC001692332922 1405951822 /nfs/dbraw/zinc/95/18/22/1405951822.db2.gz IQWACMROMRYSDA-ZWKOTPCHSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[C@H]1C[NH+]2CCCC(C)(C)C ZINC001692368924 1405979052 /nfs/dbraw/zinc/97/90/52/1405979052.db2.gz MHOFHDWKXMCUIT-FHWLQOOXSA-N 2 0 349.563 3.218 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698603968 1406230222 /nfs/dbraw/zinc/23/02/22/1406230222.db2.gz ISDIXZNSKQCALO-MOEXGYKKSA-N 2 0 328.460 3.097 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001732042895 1428275389 /nfs/dbraw/zinc/27/53/89/1428275389.db2.gz ZSIMYZXEDFIOHD-HXUWFJFHSA-N 2 0 347.547 3.286 10 0 EGAERP C[NH+](C)CCCC(=O)NCC[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001732055553 1428298753 /nfs/dbraw/zinc/29/87/53/1428298753.db2.gz YQUINPGGCDSFRB-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001732081876 1428337022 /nfs/dbraw/zinc/33/70/22/1428337022.db2.gz RJHPRGWOOBZHKK-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001732088346 1428350955 /nfs/dbraw/zinc/35/09/55/1428350955.db2.gz KQORDUGTHBBNPP-WAYWQWQTSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CC1CCC(C(C)(C)C)CC1 ZINC001732147653 1428391302 /nfs/dbraw/zinc/39/13/02/1428391302.db2.gz UTJRFPVRQADMIA-BTRQGYIVSA-N 2 0 349.563 3.076 10 0 EGAERP CCC[NH2+]C[C@@]1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC[C@@H]1C ZINC001732258600 1428499211 /nfs/dbraw/zinc/49/92/11/1428499211.db2.gz OSLATKFGGLPPKO-YWZLYKJASA-N 2 0 342.487 3.321 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001732308476 1428522698 /nfs/dbraw/zinc/52/26/98/1428522698.db2.gz YZMBSIKDLWNFHY-PGXRPPBJSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001732312172 1428524780 /nfs/dbraw/zinc/52/47/80/1428524780.db2.gz QTKNUBYSXMUBTL-GUDVDZBRSA-N 2 0 335.536 3.233 10 0 EGAERP O=C(NCCC1CC[NH+](CCC2CC2)CC1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001732324033 1428533113 /nfs/dbraw/zinc/53/31/13/1428533113.db2.gz ZUQOUUGWJWFVGR-PMACEKPBSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001732325369 1428534185 /nfs/dbraw/zinc/53/41/85/1428534185.db2.gz QNJIBVPHZUAOPL-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001732427197 1428576615 /nfs/dbraw/zinc/57/66/15/1428576615.db2.gz GXKGDCHCZZAUOL-IEBWSBKVSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732430980 1428577770 /nfs/dbraw/zinc/57/77/70/1428577770.db2.gz XBKCOLLVPVKNEI-LFAOLKIESA-N 2 0 328.460 3.049 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001732441671 1428582547 /nfs/dbraw/zinc/58/25/47/1428582547.db2.gz BJXSTMKGXSABPT-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C ZINC001732490592 1428613562 /nfs/dbraw/zinc/61/35/62/1428613562.db2.gz NQUDSPNWVITBKB-PKOBYXMFSA-N 2 0 349.563 3.432 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113731 1412516452 /nfs/dbraw/zinc/51/64/52/1412516452.db2.gz UYPSUIAVSGZREP-KRWDZBQOSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](CC[NH2+]CC1=CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001699151454 1412537372 /nfs/dbraw/zinc/53/73/72/1412537372.db2.gz XWPCYYDMGKTKQK-KRWDZBQOSA-N 2 0 347.547 3.093 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158523 1412542575 /nfs/dbraw/zinc/54/25/75/1412542575.db2.gz FTHLHAZTZXYCAN-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699206712 1412574140 /nfs/dbraw/zinc/57/41/40/1412574140.db2.gz FRFGAZWNQQQBPJ-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1Cl ZINC001699258104 1412600411 /nfs/dbraw/zinc/60/04/11/1412600411.db2.gz BJQDSNQQRUIAJR-QJGZVHSTSA-N 2 0 349.906 3.003 10 0 EGAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001699312945 1412632554 /nfs/dbraw/zinc/63/25/54/1412632554.db2.gz ALOSBCOTXREKSM-PKEGAOGXSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001699313283 1412633352 /nfs/dbraw/zinc/63/33/52/1412633352.db2.gz FQUSWQHYTHKEOZ-ZEVQVBBLSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001699313282 1412633658 /nfs/dbraw/zinc/63/36/58/1412633658.db2.gz FQUSWQHYTHKEOZ-LKGOPFMKSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CCC1CCCCC1 ZINC001699343507 1412652386 /nfs/dbraw/zinc/65/23/86/1412652386.db2.gz CVGZFMTVTLWIHX-IKSUFZCESA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699416961 1412731090 /nfs/dbraw/zinc/73/10/90/1412731090.db2.gz RXBPJMHKESAJMF-FXAWDEMLSA-N 2 0 347.547 3.378 10 0 EGAERP C[C@H](C[N@H+](C)CCC1=CCCCC1)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001699453395 1412795495 /nfs/dbraw/zinc/79/54/95/1412795495.db2.gz LPZBXIHMFZLRRG-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H]2CCCC[NH+]2C(C)C)c1 ZINC001699464578 1412826765 /nfs/dbraw/zinc/82/67/65/1412826765.db2.gz SIZBVZYNIGMCFY-QUCCMNQESA-N 2 0 345.531 3.194 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483312 1412878204 /nfs/dbraw/zinc/87/82/04/1412878204.db2.gz NISRWYJOXDPVMS-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699513883 1412900680 /nfs/dbraw/zinc/90/06/80/1412900680.db2.gz YEDJFMSCJDMBKH-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC1CCC(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001699551321 1412919303 /nfs/dbraw/zinc/91/93/03/1412919303.db2.gz OORBOFIZSZUGMP-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001699580922 1412937267 /nfs/dbraw/zinc/93/72/67/1412937267.db2.gz LCFACGRKFUDGNZ-GOSISDBHSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001699626147 1412993136 /nfs/dbraw/zinc/99/31/36/1412993136.db2.gz JRSGUQIRRZHVOC-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001699641573 1413020886 /nfs/dbraw/zinc/02/08/86/1413020886.db2.gz FISQHWLMTYTLSF-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCC(C)CC3)CC2)C1 ZINC001699663164 1413047434 /nfs/dbraw/zinc/04/74/34/1413047434.db2.gz KSNCGOWOJPZOIM-CTWPCTMYSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001699678890 1413073571 /nfs/dbraw/zinc/07/35/71/1413073571.db2.gz POYILWLZAARWAI-YQQQUEKLSA-N 2 0 347.547 3.164 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001699692929 1413099271 /nfs/dbraw/zinc/09/92/71/1413099271.db2.gz QCIOCSCBXKMURG-BGYRXZFFSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)(C(=O)N[C@H](C[NH2+]CCC1CC1)C1CCCC1)[NH+]1CCCCC1 ZINC001699790493 1413196886 /nfs/dbraw/zinc/19/68/86/1413196886.db2.gz QQRSSSFTDVGGHM-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCC1 ZINC001699794405 1413202436 /nfs/dbraw/zinc/20/24/36/1413202436.db2.gz BTOCPGGFUMCXKI-IBGZPJMESA-N 2 0 342.487 3.321 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001699796540 1413205264 /nfs/dbraw/zinc/20/52/64/1413205264.db2.gz VDQGMKZIRATMST-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC1CCCC1 ZINC001699804536 1413217076 /nfs/dbraw/zinc/21/70/76/1413217076.db2.gz ZNRCNEWGYIWFGT-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699842615 1413271065 /nfs/dbraw/zinc/27/10/65/1413271065.db2.gz OWZNBLBKJSQTJA-HXUWFJFHSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@]1(C[NH2+]CC2CC2)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001699849487 1413278896 /nfs/dbraw/zinc/27/88/96/1413278896.db2.gz UIBUMCBQTUMRJZ-TZIWHRDSSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C)CC[NH+](CC=C(C)C)CC1 ZINC001699866582 1413305925 /nfs/dbraw/zinc/30/59/25/1413305925.db2.gz CQTJPIRHJWTQGJ-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699874773 1413328679 /nfs/dbraw/zinc/32/86/79/1413328679.db2.gz QTIPNTDIFNTCQY-LIXSYLKWSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCCCC3)C[C@H]21 ZINC001700019662 1413466936 /nfs/dbraw/zinc/46/69/36/1413466936.db2.gz VALRFEXIVHLOSX-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCCC2CCCC2)CC1 ZINC001700100382 1413517776 /nfs/dbraw/zinc/51/77/76/1413517776.db2.gz RGXIUXXMGHPRQY-VAMGGRTRSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001700104434 1413522767 /nfs/dbraw/zinc/52/27/67/1413522767.db2.gz MZLPFXULVCPNKA-UAFMIMERSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001700124961 1413540893 /nfs/dbraw/zinc/54/08/93/1413540893.db2.gz JSGDFNWEKXHOKD-ASIGSXEYSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001700178478 1413588362 /nfs/dbraw/zinc/58/83/62/1413588362.db2.gz ITAKWVBNBHANGX-QGZVFWFLSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[NH2+]C1(CC)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001700220484 1413666397 /nfs/dbraw/zinc/66/63/97/1413666397.db2.gz MXUYCPOHKZSBIK-UHFFFAOYSA-N 2 0 335.536 3.166 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001700283386 1413729615 /nfs/dbraw/zinc/72/96/15/1413729615.db2.gz GUUHCEAMBPXQAR-MSOLQXFVSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001700283635 1413729784 /nfs/dbraw/zinc/72/97/84/1413729784.db2.gz HLVYUOIFONJBNE-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676473 1429871598 /nfs/dbraw/zinc/87/15/98/1429871598.db2.gz NDFNMFOTLQLWBT-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001700293365 1413750271 /nfs/dbraw/zinc/75/02/71/1413750271.db2.gz QBXDYZGKTYLDQK-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C[C@H]2C)c1 ZINC001700323946 1413791946 /nfs/dbraw/zinc/79/19/46/1413791946.db2.gz PHXOBKSZZFTJDT-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566284 1428758494 /nfs/dbraw/zinc/75/84/94/1428758494.db2.gz LRVBMHDIBCJIBW-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001700363951 1413884223 /nfs/dbraw/zinc/88/42/23/1413884223.db2.gz IFSHEMXBELMWPI-XOUUWWQPSA-N 2 0 349.563 3.386 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CCC1=CCCCC1 ZINC001700365727 1413890059 /nfs/dbraw/zinc/89/00/59/1413890059.db2.gz XSBLSTJFUPWNFT-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]CC1CCCC1 ZINC001700402611 1413938038 /nfs/dbraw/zinc/93/80/38/1413938038.db2.gz CANNCUACTFFFSW-JKSUJKDBSA-N 2 0 337.552 3.312 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001700428703 1413987769 /nfs/dbraw/zinc/98/77/69/1413987769.db2.gz AFILZTCHKVPVIZ-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@@H](C)CNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001700482608 1414122736 /nfs/dbraw/zinc/12/27/36/1414122736.db2.gz BIVIIOZYIUHEAP-HKUYNNGSSA-N 2 0 345.531 3.088 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700485800 1414132122 /nfs/dbraw/zinc/13/21/22/1414132122.db2.gz ANHWSEGJVOGSEZ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CCCC[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001700522696 1414178681 /nfs/dbraw/zinc/17/86/81/1414178681.db2.gz SQUURFKUGVESNX-CTNGQTDRSA-N 2 0 347.547 3.237 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001700620497 1414289282 /nfs/dbraw/zinc/28/92/82/1414289282.db2.gz WDOZDHJGBFKCNO-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001700713432 1414371226 /nfs/dbraw/zinc/37/12/26/1414371226.db2.gz PGAKNTVIAGIYCY-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001700758681 1414430961 /nfs/dbraw/zinc/43/09/61/1414430961.db2.gz DOZDAPLUCJHVID-QGZVFWFLSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700759326 1414432060 /nfs/dbraw/zinc/43/20/60/1414432060.db2.gz HSHHPOQAKTVFIL-KRWDZBQOSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H](CN(C)C(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001700778121 1414459022 /nfs/dbraw/zinc/45/90/22/1414459022.db2.gz VBBMVTKQVNSLHP-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CN(C)C(=O)CCC[NH+]1CCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001700781011 1414463004 /nfs/dbraw/zinc/46/30/04/1414463004.db2.gz QZRBMGSRCQWNOU-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC/C=C/c2ccccc2)[C@H]1C ZINC001700827298 1414482372 /nfs/dbraw/zinc/48/23/72/1414482372.db2.gz AVNVZJOESRUKSS-YBGNTVOFSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001700926535 1414579825 /nfs/dbraw/zinc/57/98/25/1414579825.db2.gz MSCQJVBQCWLLST-HNGSOEQISA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC2CC2)C(C)(C)C)CC1 ZINC001700995912 1414643976 /nfs/dbraw/zinc/64/39/76/1414643976.db2.gz VHIFLWSZPQDEOT-GOSISDBHSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1=CCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001701000141 1414651928 /nfs/dbraw/zinc/65/19/28/1414651928.db2.gz JYXZATLGNXXTLF-IBGZPJMESA-N 2 0 349.563 3.483 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2ccccc2)CC1 ZINC001701011921 1414671927 /nfs/dbraw/zinc/67/19/27/1414671927.db2.gz WILQZPDVQSWPRL-SFHVURJKSA-N 2 0 345.531 3.135 10 0 EGAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732783369 1428968018 /nfs/dbraw/zinc/96/80/18/1428968018.db2.gz IRUKLPIMUSYJEK-UHFFFAOYSA-N 2 0 330.476 3.131 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001732811999 1428989833 /nfs/dbraw/zinc/98/98/33/1428989833.db2.gz IIUBOHJORFQDQW-HDICACEKSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1 ZINC001732914091 1429044949 /nfs/dbraw/zinc/04/49/49/1429044949.db2.gz OYCKGHQBGKTRCM-GHOSXJJBSA-N 2 0 343.515 3.050 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001707113779 1417206687 /nfs/dbraw/zinc/20/66/87/1417206687.db2.gz BZOYBTUKGVPLFD-YZGWKJHDSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001707122143 1417209681 /nfs/dbraw/zinc/20/96/81/1417209681.db2.gz KUBZDFFWAPXQAJ-AZUAARDMSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@@H](C(=O)N1CC2(C[C@@H]1C)CC[NH+](C(C)C)CC2)[NH+](CC)CC ZINC001707123462 1417210642 /nfs/dbraw/zinc/21/06/42/1417210642.db2.gz DZHSHUYUHGWDKY-ROUUACIJSA-N 2 0 337.552 3.218 10 0 EGAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001707159253 1417224730 /nfs/dbraw/zinc/22/47/30/1417224730.db2.gz WYUHVDDXUOKBFA-QAPCUYQASA-N 2 0 342.487 3.273 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001707182509 1417232931 /nfs/dbraw/zinc/23/29/31/1417232931.db2.gz AYERMIZZMQGXEQ-BDJIZRHFSA-N 2 0 349.563 3.290 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001707186358 1417235515 /nfs/dbraw/zinc/23/55/15/1417235515.db2.gz NJEXZMXFOCYRQX-HOJAQTOUSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001707205288 1417244187 /nfs/dbraw/zinc/24/41/87/1417244187.db2.gz VXOUNOMVLHKCST-ZCNNSNEGSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC[C@H](C)F)CC(C)(C)C1 ZINC001707280062 1417289160 /nfs/dbraw/zinc/28/91/60/1417289160.db2.gz IERYUNLXPXFKPS-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)CC(C)(C)C1 ZINC001707281796 1417292581 /nfs/dbraw/zinc/29/25/81/1417292581.db2.gz RHFPSQJNLLDSCG-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCCNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001707385688 1417306196 /nfs/dbraw/zinc/30/61/96/1417306196.db2.gz NPIRCNQYZSFQFW-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCCC1CCCC1 ZINC001707407036 1417319344 /nfs/dbraw/zinc/31/93/44/1417319344.db2.gz MMHHYFQYDZFXLW-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](C(=O)NCCC[N@H+](C)Cc1ccc(F)cc1)[NH+]1CCCCCC1 ZINC001707410380 1417321172 /nfs/dbraw/zinc/32/11/72/1417321172.db2.gz FMPRASOIZDYQTK-QGZVFWFLSA-N 2 0 349.494 3.028 10 0 EGAERP C[C@H]([NH2+]C/C=C\c1ccccc1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001707445699 1417350060 /nfs/dbraw/zinc/35/00/60/1417350060.db2.gz UQLKNMPYZYEVKI-GBOJCQPWSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1=CCCCC1 ZINC001707455190 1417358364 /nfs/dbraw/zinc/35/83/64/1417358364.db2.gz DFMSZWOURMKXTD-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001713098237 1417648061 /nfs/dbraw/zinc/64/80/61/1417648061.db2.gz JNURQLQIICNGFN-IBGZPJMESA-N 2 0 349.563 3.413 10 0 EGAERP CCCCCC[NH+]1CCC(N(CCC)C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC001713101932 1417656064 /nfs/dbraw/zinc/65/60/64/1417656064.db2.gz GMSHSNVNTIJCDZ-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001713149857 1417730162 /nfs/dbraw/zinc/73/01/62/1417730162.db2.gz UKOOROGVEBECLO-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[N@H+](C)CC2=CCCCC2)CC1 ZINC001733059789 1429206442 /nfs/dbraw/zinc/20/64/42/1429206442.db2.gz KHOFSOLUGSSUFH-QGZVFWFLSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1 ZINC001713180538 1417754392 /nfs/dbraw/zinc/75/43/92/1417754392.db2.gz NTOITGIQVINHBG-YQQQUEKLSA-N 2 0 349.563 3.266 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001713221144 1417804713 /nfs/dbraw/zinc/80/47/13/1417804713.db2.gz ALDSWNGGHDYQOS-ICSRJNTNSA-N 2 0 345.531 3.308 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCCC(C)(C)C)C2)CCC1 ZINC001713232581 1417819213 /nfs/dbraw/zinc/81/92/13/1417819213.db2.gz AHKFUGLXHXGOQD-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713233381 1417819687 /nfs/dbraw/zinc/81/96/87/1417819687.db2.gz QKQFKEUMBNTQES-DKFQHHCZSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001713256275 1417856627 /nfs/dbraw/zinc/85/66/27/1417856627.db2.gz CYXREDKRBOXKDB-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001713357666 1417973937 /nfs/dbraw/zinc/97/39/37/1417973937.db2.gz YPVLACCNHHOPQS-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713373320 1417983966 /nfs/dbraw/zinc/98/39/66/1417983966.db2.gz BRVHWGVZQGZBER-NYQZOWANSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713375343 1417985568 /nfs/dbraw/zinc/98/55/68/1417985568.db2.gz PHDLVUTVQFGPOP-DLBZAZTESA-N 2 0 337.552 3.312 10 0 EGAERP CCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001733075051 1429229960 /nfs/dbraw/zinc/22/99/60/1429229960.db2.gz KMGCOARXCJBYRD-ICSRJNTNSA-N 2 0 345.531 3.079 10 0 EGAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCCCCC1 ZINC001713410915 1418034040 /nfs/dbraw/zinc/03/40/40/1418034040.db2.gz QRCIWSZPQIMZOT-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccccc1F ZINC001713418467 1418042355 /nfs/dbraw/zinc/04/23/55/1418042355.db2.gz CWSBAGOZIXJTNR-APWZRJJASA-N 2 0 349.494 3.073 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001713515543 1418250786 /nfs/dbraw/zinc/25/07/86/1418250786.db2.gz WVJQCLAXDDTGFN-MOPGFXCFSA-N 2 0 337.552 3.266 10 0 EGAERP CN(CCC[NH2+]CCC1=CCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001733107469 1429245248 /nfs/dbraw/zinc/24/52/48/1429245248.db2.gz PDANQIOMVMSGJU-UHFFFAOYSA-N 2 0 347.547 3.191 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713541756 1418303615 /nfs/dbraw/zinc/30/36/15/1418303615.db2.gz NNROVLPVSHAXIA-SBUVDCAVSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001713558459 1418353796 /nfs/dbraw/zinc/35/37/96/1418353796.db2.gz KKSXEHZXRVQDNQ-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733130843 1429255121 /nfs/dbraw/zinc/25/51/21/1429255121.db2.gz KZMKOMVOOXZFKT-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001713700145 1418456818 /nfs/dbraw/zinc/45/68/18/1418456818.db2.gz BJDFDPFBFGSWIB-FXAWDEMLSA-N 2 0 349.494 3.054 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713750682 1418552291 /nfs/dbraw/zinc/55/22/91/1418552291.db2.gz DNOYRAXCRKBZBT-KRWDZBQOSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001714013906 1418792834 /nfs/dbraw/zinc/79/28/34/1418792834.db2.gz QFDDEODFAHKATD-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(C)[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001714022973 1418807060 /nfs/dbraw/zinc/80/70/60/1418807060.db2.gz XNUSKLKVFNQFQI-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714078079 1418872553 /nfs/dbraw/zinc/87/25/53/1418872553.db2.gz BZDLEJCQPGMRSV-ICSRJNTNSA-N 2 0 347.547 3.378 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001714085133 1418878507 /nfs/dbraw/zinc/87/85/07/1418878507.db2.gz PTWZOJSONDDVSQ-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ccc1C ZINC001714125487 1418930218 /nfs/dbraw/zinc/93/02/18/1418930218.db2.gz WWBYTTCKJBOLQL-UXHICEINSA-N 2 0 345.531 3.162 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001714130386 1418933789 /nfs/dbraw/zinc/93/37/89/1418933789.db2.gz WVMVZHTXZWELRI-PXPVJAHISA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714142189 1418944495 /nfs/dbraw/zinc/94/44/95/1418944495.db2.gz QBWAYORFPKRIOI-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC1CCCC1 ZINC001714144987 1418948465 /nfs/dbraw/zinc/94/84/65/1418948465.db2.gz OGPPFXLKNPEPIW-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCC(C)(C)C)C1CC1 ZINC001714163770 1418974144 /nfs/dbraw/zinc/97/41/44/1418974144.db2.gz WFOHPXBHXUCBFQ-FXAWDEMLSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001714210794 1419010348 /nfs/dbraw/zinc/01/03/48/1419010348.db2.gz QLNOESMYXCMNDV-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001714234938 1419025516 /nfs/dbraw/zinc/02/55/16/1419025516.db2.gz JRVWWJWARPXVHA-UXHICEINSA-N 2 0 347.547 3.047 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001714238625 1419028027 /nfs/dbraw/zinc/02/80/27/1419028027.db2.gz GHYJMMIHWHRUAS-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001714287091 1419065678 /nfs/dbraw/zinc/06/56/78/1419065678.db2.gz JZWKZVWGXDAVIF-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001714336467 1419114005 /nfs/dbraw/zinc/11/40/05/1419114005.db2.gz ZVGFHRSTSPVFPS-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+]1CCCC1)CC2 ZINC001714365086 1419125195 /nfs/dbraw/zinc/12/51/95/1419125195.db2.gz DOTGLPOMKVYNPZ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411059 1419150250 /nfs/dbraw/zinc/15/02/50/1419150250.db2.gz JHMGCRVWCDPERU-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001714416704 1419153523 /nfs/dbraw/zinc/15/35/23/1419153523.db2.gz CHWFYLUDRIYSGH-WOJBJXKFSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001714417833 1419154905 /nfs/dbraw/zinc/15/49/05/1419154905.db2.gz RBCFYCFNIVZNJC-IEJDHCNXSA-N 2 0 343.515 3.057 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001714520174 1419246157 /nfs/dbraw/zinc/24/61/57/1419246157.db2.gz KCONHNWFFHQPKC-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001714520175 1419246300 /nfs/dbraw/zinc/24/63/00/1419246300.db2.gz KCONHNWFFHQPKC-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001714629498 1419400976 /nfs/dbraw/zinc/40/09/76/1419400976.db2.gz CFPRZCZFQHISSU-AWEZNQCLSA-N 2 0 337.533 3.050 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714651533 1419429273 /nfs/dbraw/zinc/42/92/73/1419429273.db2.gz XAKNHNNURDINEK-IAGOWNOFSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)CC1CCCCC1 ZINC001714655678 1419437392 /nfs/dbraw/zinc/43/73/92/1419437392.db2.gz HPADNKPAANVVLC-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CCCCC1 ZINC001714676200 1419468543 /nfs/dbraw/zinc/46/85/43/1419468543.db2.gz KWOJORPOUCMGPM-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001714811406 1419522371 /nfs/dbraw/zinc/52/23/71/1419522371.db2.gz BPYMDDSHTOFSKO-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714856672 1419574073 /nfs/dbraw/zinc/57/40/73/1419574073.db2.gz RWRRPJCYSDNRJI-RTBURBONSA-N 2 0 335.536 3.138 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714910808 1419656867 /nfs/dbraw/zinc/65/68/67/1419656867.db2.gz PERWINFVHPCMFU-HCZHMGAMSA-N 2 0 349.563 3.245 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001714915143 1419664691 /nfs/dbraw/zinc/66/46/91/1419664691.db2.gz ZCNAAQBPEUFOAK-PXDRNWIDSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001714917879 1419669038 /nfs/dbraw/zinc/66/90/38/1419669038.db2.gz IXXQXUBQIHQSHM-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733225351 1429350437 /nfs/dbraw/zinc/35/04/37/1429350437.db2.gz GWSAXSUTQKZXAD-PWBPZBFBSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCC1 ZINC001714973916 1419708835 /nfs/dbraw/zinc/70/88/35/1419708835.db2.gz AYZOWWQAMPUUGQ-IBGZPJMESA-N 2 0 349.563 3.482 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001715024710 1419756675 /nfs/dbraw/zinc/75/66/75/1419756675.db2.gz HPLMHLQYSDUJKF-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]CC1=CCCCC1 ZINC001715064113 1419801886 /nfs/dbraw/zinc/80/18/86/1419801886.db2.gz FXIIWNLNVNEQKW-KRWDZBQOSA-N 2 0 340.471 3.241 10 0 EGAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001715113933 1419857419 /nfs/dbraw/zinc/85/74/19/1419857419.db2.gz XRGHDQSRFGZPSB-LAUBAEHRSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001715149977 1419894821 /nfs/dbraw/zinc/89/48/21/1419894821.db2.gz RMTYGQUTGHINRJ-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](CC[NH2+]CC3=CCCCC3)C2)C1 ZINC001715157007 1419899644 /nfs/dbraw/zinc/89/96/44/1419899644.db2.gz SZPHUWBPGYBWGM-UYAOXDASSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001715170312 1419908422 /nfs/dbraw/zinc/90/84/22/1419908422.db2.gz HLMWJLIHQVXYBA-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1c(C(=O)N2CCC(CC[NH2+]CC(C)C)CC2)ccc2c[nH+]cn21 ZINC001715172362 1419909088 /nfs/dbraw/zinc/90/90/88/1419909088.db2.gz VXXJNUDCOOMPQK-UHFFFAOYSA-N 2 0 342.487 3.131 10 0 EGAERP C[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC1)[NH+]1CCCCCC1 ZINC001715223627 1419957175 /nfs/dbraw/zinc/95/71/75/1419957175.db2.gz QUHFXSJDLJDGOP-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c(C)c1 ZINC001715236129 1419967078 /nfs/dbraw/zinc/96/70/78/1419967078.db2.gz NILLCFKJQRHVGS-PXNSSMCTSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001715239983 1419970130 /nfs/dbraw/zinc/97/01/30/1419970130.db2.gz OONGLBSFOKXVTG-OAHLLOKOSA-N 2 0 344.503 3.425 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F ZINC001715251464 1419976234 /nfs/dbraw/zinc/97/62/34/1419976234.db2.gz BGXSBSDIIDRKTD-SFHVURJKSA-N 2 0 349.494 3.028 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001715252100 1419976462 /nfs/dbraw/zinc/97/64/62/1419976462.db2.gz GMNKGCBYZQVJQN-HKUYNNGSSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001715273370 1419989258 /nfs/dbraw/zinc/98/92/58/1419989258.db2.gz QCXRYJJEUIRAMH-MJGOQNOKSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001715333638 1420039016 /nfs/dbraw/zinc/03/90/16/1420039016.db2.gz BAGBSAYFGPHBDP-PJKWBFRZSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)[C@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001715366179 1420063527 /nfs/dbraw/zinc/06/35/27/1420063527.db2.gz NXNUJICKVRJUIN-OAHLLOKOSA-N 2 0 347.528 3.180 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c(C)c1 ZINC001715388451 1420085328 /nfs/dbraw/zinc/08/53/28/1420085328.db2.gz GXRNQNHRHFGDCJ-FQEVSTJZSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001715400368 1420098774 /nfs/dbraw/zinc/09/87/74/1420098774.db2.gz LCWXPFSRWVONNM-IBGZPJMESA-N 2 0 347.547 3.236 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001715423039 1420114352 /nfs/dbraw/zinc/11/43/52/1420114352.db2.gz FZDNLAMXBBGCGG-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(N1CCCC[C@@H]1CC[NH2+]CC1CCCC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001715450113 1420133442 /nfs/dbraw/zinc/13/34/42/1420133442.db2.gz PKSYBWPBVKRVLC-CTNGQTDRSA-N 2 0 347.547 3.023 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001715458441 1420139220 /nfs/dbraw/zinc/13/92/20/1420139220.db2.gz IMXXQRKSCUZISR-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001715480291 1420159144 /nfs/dbraw/zinc/15/91/44/1420159144.db2.gz AUFFDFFEQNTBRU-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1c(C(=O)N(C)CC[N@H+](C)CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001715524201 1420212113 /nfs/dbraw/zinc/21/21/13/1420212113.db2.gz IRCKGEFVODSYKK-UHFFFAOYSA-N 2 0 340.471 3.147 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001715730184 1420314957 /nfs/dbraw/zinc/31/49/57/1420314957.db2.gz PJLWWGRNHPEWHN-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c2ccccc2)C1 ZINC001715863140 1420372517 /nfs/dbraw/zinc/37/25/17/1420372517.db2.gz LNLWPESEWPOHTQ-KDCRJJDASA-N 2 0 343.515 3.132 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCC1=CCCCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001715881486 1420381586 /nfs/dbraw/zinc/38/15/86/1420381586.db2.gz BMNZCRANJXUFRN-UHDDOPSISA-N 2 0 345.531 3.156 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1 ZINC001716042615 1420505299 /nfs/dbraw/zinc/50/52/99/1420505299.db2.gz RANVQFDAXLHDLM-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)C[NH+](C)CC(C)(C)C ZINC001716044339 1420507822 /nfs/dbraw/zinc/50/78/22/1420507822.db2.gz LGDZWYHAJJCVBN-LXPRWKDFSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@H]21 ZINC001716054943 1420518561 /nfs/dbraw/zinc/51/85/61/1420518561.db2.gz SRDLRPJJOHNQJX-WOJBJXKFSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716066998 1420525097 /nfs/dbraw/zinc/52/50/97/1420525097.db2.gz KBTGILBTVZVGQC-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccc(F)cc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716178542 1420553900 /nfs/dbraw/zinc/55/39/00/1420553900.db2.gz AVFAZPBEOQASGK-IRXDYDNUSA-N 2 0 349.494 3.075 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716221486 1420570982 /nfs/dbraw/zinc/57/09/82/1420570982.db2.gz VNBMSRJJBFMPPD-HXUWFJFHSA-N 2 0 343.515 3.032 10 0 EGAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)s1 ZINC001716329975 1420606371 /nfs/dbraw/zinc/60/63/71/1420606371.db2.gz MVOQNHHZJYWRPG-WAYWQWQTSA-N 2 0 349.544 3.001 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCC1)[NH+]1CCCCCC1 ZINC001716497882 1420723351 /nfs/dbraw/zinc/72/33/51/1420723351.db2.gz OXVMLPCVYRXSKB-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C[N@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)CCCC[NH+](C)C ZINC001716500565 1420727335 /nfs/dbraw/zinc/72/73/35/1420727335.db2.gz FMYKEGVADQMQCG-YLJYHZDGSA-N 2 0 345.531 3.232 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001716508738 1420740642 /nfs/dbraw/zinc/74/06/42/1420740642.db2.gz OWAOTWHUYUCAIP-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)C2([NH+](C)C)CCC2)CC1)c1cccc(Cl)c1 ZINC001716684975 1420838353 /nfs/dbraw/zinc/83/83/53/1420838353.db2.gz KYXZMNNFHAUPRR-CQSZACIVSA-N 2 0 349.906 3.124 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001716684844 1420838565 /nfs/dbraw/zinc/83/85/65/1420838565.db2.gz DWVFUMCDXWRKDU-SFHVURJKSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001716725235 1420883951 /nfs/dbraw/zinc/88/39/51/1420883951.db2.gz TWVZDBKXLZALJI-NRFANRHFSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001716821752 1420947897 /nfs/dbraw/zinc/94/78/97/1420947897.db2.gz WRKIUADPUWCFCV-FXAWDEMLSA-N 2 0 345.531 3.272 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001716844468 1420971001 /nfs/dbraw/zinc/97/10/01/1420971001.db2.gz UFQBGRDJYGXOPR-PXNSSMCTSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@]2(C)CC[NH+](CCCC(C)C)C2)C1 ZINC001716848051 1420976491 /nfs/dbraw/zinc/97/64/91/1420976491.db2.gz WKOXEQLGFYBWQP-QUCCMNQESA-N 2 0 337.552 3.125 10 0 EGAERP CC1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC[NH+](CCC2CC2)CC1 ZINC001716885231 1421008613 /nfs/dbraw/zinc/00/86/13/1421008613.db2.gz IZVIISRMQDYMIZ-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C ZINC001716987728 1421062420 /nfs/dbraw/zinc/06/24/20/1421062420.db2.gz OHUXIYRKYGEIAH-OALUTQOASA-N 2 0 349.563 3.291 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001717038092 1421092594 /nfs/dbraw/zinc/09/25/94/1421092594.db2.gz NNBYSTQQXLIGKH-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CC[C@@H]2CCC[C@@H](C)C2)CCC1 ZINC001717163441 1421153377 /nfs/dbraw/zinc/15/33/77/1421153377.db2.gz YCDHDNLQBZQHBD-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@]2(C1)CCC[N@H+](CC1CCC1)C2)[NH+](CC)CC ZINC001733288211 1429465006 /nfs/dbraw/zinc/46/50/06/1429465006.db2.gz JMYPQENKJMMROD-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H](C)[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1 ZINC001717290056 1421237126 /nfs/dbraw/zinc/23/71/26/1421237126.db2.gz FWTBHXQZQACLIO-FXAWDEMLSA-N 2 0 345.531 3.088 10 0 EGAERP CCC(CC)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001717302655 1421244608 /nfs/dbraw/zinc/24/46/08/1421244608.db2.gz MGAISAXLJFLVDM-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CCC)C2 ZINC001733289236 1429466560 /nfs/dbraw/zinc/46/65/60/1429466560.db2.gz OWQVKEZZPPEJQG-FQEVSTJZSA-N 2 0 337.552 3.223 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001717335903 1421272570 /nfs/dbraw/zinc/27/25/70/1421272570.db2.gz MVYMYYSGHLWIFU-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001717339098 1421276658 /nfs/dbraw/zinc/27/66/58/1421276658.db2.gz LSNWWOOPFUAWOL-FUHWJXTLSA-N 2 0 349.544 3.093 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]1C[NH+](C)CC(C)C)c1ccccc1 ZINC001717375654 1421317782 /nfs/dbraw/zinc/31/77/82/1421317782.db2.gz ZZVWKSSSSXRUTO-PMACEKPBSA-N 2 0 345.531 3.258 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CC2CC(NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717390538 1421328283 /nfs/dbraw/zinc/32/82/83/1421328283.db2.gz GBDAKVYLDVHQSL-LMDPOFIKSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001717416177 1421347487 /nfs/dbraw/zinc/34/74/87/1421347487.db2.gz OBMPJFGENJMBTH-IRXDYDNUSA-N 2 0 347.547 3.068 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001717422821 1421352673 /nfs/dbraw/zinc/35/26/73/1421352673.db2.gz LFTUUSHBRKBQIP-IRXDYDNUSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001717458218 1421387442 /nfs/dbraw/zinc/38/74/42/1421387442.db2.gz LOIUEGQRKQJOJH-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CC3CCCCC3)CCCCC2)C1 ZINC001717526807 1421462336 /nfs/dbraw/zinc/46/23/36/1421462336.db2.gz MUEFYTUSDRBELE-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCCCC[NH+]2CC2=CCCCC2)C1 ZINC001717541221 1421481821 /nfs/dbraw/zinc/48/18/21/1421481821.db2.gz WDKPZUDQCUSXFO-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CC2CCCCCC2)C1 ZINC001717555245 1421492337 /nfs/dbraw/zinc/49/23/37/1421492337.db2.gz RRYZRQPWENHQRU-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C(C)(C)C1 ZINC001717583121 1421509604 /nfs/dbraw/zinc/50/96/04/1421509604.db2.gz XBTSNYSJYYIWPX-QGZVFWFLSA-N 2 0 337.552 3.122 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717640654 1421545677 /nfs/dbraw/zinc/54/56/77/1421545677.db2.gz GGFCXEMABUCEHY-AKHDSKFASA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001717702316 1421575969 /nfs/dbraw/zinc/57/59/69/1421575969.db2.gz VDMSWOOYVOQOBB-PLNGDYQASA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)C[NH2+]CCC[C@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001717716543 1421584761 /nfs/dbraw/zinc/58/47/61/1421584761.db2.gz DFDZYVLKQMPJKT-FQEVSTJZSA-N 2 0 345.531 3.212 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001717745640 1421608720 /nfs/dbraw/zinc/60/87/20/1421608720.db2.gz ZPJZFVRTCKZEDQ-QZTJIDSGSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717825604 1421640108 /nfs/dbraw/zinc/64/01/08/1421640108.db2.gz IAZVQTSSBHMFTE-VQIMIIECSA-N 2 0 349.563 3.124 10 0 EGAERP CC1CC(C[NH2+][C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC2(C)C)C1 ZINC001717903907 1421700104 /nfs/dbraw/zinc/70/01/04/1421700104.db2.gz BMHXAZYBRHVGFI-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(CC[NH+](C)CC2=CCCCC2)C(C)C)CC[N@@H+]1C ZINC001717948302 1421715384 /nfs/dbraw/zinc/71/53/84/1421715384.db2.gz JIOSEYPKXRFCDI-VQTJNVASSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCC1 ZINC001717973982 1421745694 /nfs/dbraw/zinc/74/56/94/1421745694.db2.gz PJQZOESZNPQLJF-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP CCCC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001717991247 1421761096 /nfs/dbraw/zinc/76/10/96/1421761096.db2.gz DIIHUJVGUWZCSO-MUYFXNHWSA-N 2 0 335.536 3.020 10 0 EGAERP CC1CC[NH+](CC(=O)NCC2=CC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001718031233 1421783355 /nfs/dbraw/zinc/78/33/55/1421783355.db2.gz SADAFNGLDJQJRY-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@@H+]([C@@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001718031283 1421783696 /nfs/dbraw/zinc/78/36/96/1421783696.db2.gz OOQNJPWCIVFKMZ-FXAWDEMLSA-N 2 0 343.515 3.145 10 0 EGAERP CC(C)c1ccc(C[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001733360239 1429543466 /nfs/dbraw/zinc/54/34/66/1429543466.db2.gz PBVZQEIQGUCAFI-UHFFFAOYSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384165 1429570595 /nfs/dbraw/zinc/57/05/95/1429570595.db2.gz RXSOEQDENUQHPW-DNVCBOLYSA-N 2 0 349.494 3.103 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001733392674 1429583510 /nfs/dbraw/zinc/58/35/10/1429583510.db2.gz FWRZUOJZMGOULZ-SFHLNBCPSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001733422637 1429630156 /nfs/dbraw/zinc/63/01/56/1429630156.db2.gz LHYXYQIJYALHGJ-TZIWHRDSSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1 ZINC001733429474 1429637119 /nfs/dbraw/zinc/63/71/19/1429637119.db2.gz PLAYPRDWOOCMSH-NRFANRHFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001733457438 1429676910 /nfs/dbraw/zinc/67/69/10/1429676910.db2.gz DKCLHMKQWNYWSA-VKEZQZQQSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733458539 1429679182 /nfs/dbraw/zinc/67/91/82/1429679182.db2.gz MLMQHFMCEFGGAW-WIYYLYMNSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@]2(C)CCC[NH+](CC3CCCCC3)C2)CC[N@@H+]1C ZINC001733458488 1429679921 /nfs/dbraw/zinc/67/99/21/1429679921.db2.gz LIIMQNUHSYTLSN-QFUCXCTJSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001733458960 1429680600 /nfs/dbraw/zinc/68/06/00/1429680600.db2.gz JTHDDRIPNGUNRS-RTVDBWQISA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001722915814 1424252066 /nfs/dbraw/zinc/25/20/66/1424252066.db2.gz IENPCDQGLIAQLK-ORNUUZEQSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC2CC2)CC1 ZINC001722951187 1424273715 /nfs/dbraw/zinc/27/37/15/1424273715.db2.gz BLOWABWJWJMSPN-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001723310313 1424344404 /nfs/dbraw/zinc/34/44/04/1424344404.db2.gz CDNFUPGBLSBKIA-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001723640037 1424505175 /nfs/dbraw/zinc/50/51/75/1424505175.db2.gz IOVAVBLNOSUJIU-FQEVSTJZSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723727299 1424551035 /nfs/dbraw/zinc/55/10/35/1424551035.db2.gz QYOBTWWCDKJQEK-VKUXZERMSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001723859867 1424588544 /nfs/dbraw/zinc/58/85/44/1424588544.db2.gz HHGJIBHABDGONF-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001724229506 1424745468 /nfs/dbraw/zinc/74/54/68/1424745468.db2.gz STQUTYWZQSKLTC-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001724239875 1424750115 /nfs/dbraw/zinc/75/01/15/1424750115.db2.gz OCDOMTZPEXHQIF-IRAUWKARSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001724609658 1424947122 /nfs/dbraw/zinc/94/71/22/1424947122.db2.gz ZXJHRWPEMODQEY-RBUKOAKNSA-N 2 0 349.563 3.149 10 0 EGAERP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001733563950 1429763456 /nfs/dbraw/zinc/76/34/56/1429763456.db2.gz QWOAFQAMJAANOP-GGPHIMKMSA-N 2 0 349.563 3.407 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001724653350 1425017623 /nfs/dbraw/zinc/01/76/23/1425017623.db2.gz QJEZWFCCDREJKY-RGOLFUFTSA-N 2 0 349.563 3.384 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001724754235 1425125252 /nfs/dbraw/zinc/12/52/52/1425125252.db2.gz ADRYADPSGCPEBX-WGSAOQKQSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1c(C(=O)NCC2([NH2+]CCC(C)(C)C)CCC2)ccc2c[nH+]cn21 ZINC001724786637 1425153130 /nfs/dbraw/zinc/15/31/30/1425153130.db2.gz AGKFZKRGLRTBSF-UHFFFAOYSA-N 2 0 342.487 3.321 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001724832216 1425178021 /nfs/dbraw/zinc/17/80/21/1425178021.db2.gz DHNUOIHZMFVFTI-QRTFGMIHSA-N 2 0 335.536 3.044 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001724851020 1425214199 /nfs/dbraw/zinc/21/41/99/1425214199.db2.gz ICMXQCYXSXVWKR-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001724858242 1425236483 /nfs/dbraw/zinc/23/64/83/1425236483.db2.gz RIWAELPQBQPBLI-UXHICEINSA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001724867960 1425252134 /nfs/dbraw/zinc/25/21/34/1425252134.db2.gz OEJSEBVCQFMPFK-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001724889771 1425276039 /nfs/dbraw/zinc/27/60/39/1425276039.db2.gz ORNGRSPYNIPEBE-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCc1ccc2c(c1)C[NH+](CC1CC(C)C1)C2 ZINC001724923847 1425312772 /nfs/dbraw/zinc/31/27/72/1425312772.db2.gz QTGLSEXVKIMGKC-UHFFFAOYSA-N 2 0 343.515 3.005 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)CC1(C)C)C1CCC1 ZINC001724966473 1425360430 /nfs/dbraw/zinc/36/04/30/1425360430.db2.gz OJZYJEQSOKZJGY-SFHVURJKSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993942 1425398555 /nfs/dbraw/zinc/39/85/55/1425398555.db2.gz HJUWHEVGFCSKPQ-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001724997470 1425404963 /nfs/dbraw/zinc/40/49/63/1425404963.db2.gz SMMHAPHIMNJXCF-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725045558 1425475280 /nfs/dbraw/zinc/47/52/80/1425475280.db2.gz ZYRHGPGKDPZXRO-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725045513 1425475544 /nfs/dbraw/zinc/47/55/44/1425475544.db2.gz ZFOKRJIBHVVDOM-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725097352 1425542228 /nfs/dbraw/zinc/54/22/28/1425542228.db2.gz OWTPBSOHKBTMNO-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725130530 1425599514 /nfs/dbraw/zinc/59/95/14/1425599514.db2.gz ROVFRUUOHGMMBB-JKSUJKDBSA-N 2 0 325.541 3.026 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001725192689 1425741479 /nfs/dbraw/zinc/74/14/79/1425741479.db2.gz CFSXGOJPNYXXKY-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1)c1cccc(F)c1 ZINC001725228231 1425798168 /nfs/dbraw/zinc/79/81/68/1425798168.db2.gz SCXLFIZETKAIRP-INIZCTEOSA-N 2 0 349.494 3.247 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CCC3CCCC3)C[C@]2(C)C1 ZINC001725347610 1426001306 /nfs/dbraw/zinc/00/13/06/1426001306.db2.gz XRIBIMCSECINOS-OYRHEFFESA-N 2 0 349.563 3.077 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725390642 1426036607 /nfs/dbraw/zinc/03/66/07/1426036607.db2.gz AZPZPDJCDKTPRK-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001725420794 1426068670 /nfs/dbraw/zinc/06/86/70/1426068670.db2.gz PFMGHVSRMXNDGH-UVEXCMSLSA-N 2 0 347.547 3.282 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CCCCC2)C1 ZINC001725500852 1426181402 /nfs/dbraw/zinc/18/14/02/1426181402.db2.gz FYZLLTJLXJZWDH-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c(C)c1 ZINC001725627404 1426294531 /nfs/dbraw/zinc/29/45/31/1426294531.db2.gz LDKCZPNGRRWUKF-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3=CCCCC3)[C@@H]2C1 ZINC001725642136 1426320258 /nfs/dbraw/zinc/32/02/58/1426320258.db2.gz ZRSFLAMSSUZEEC-ZCNNSNEGSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C(C)(C)C)C1CCC1 ZINC001725736585 1426411178 /nfs/dbraw/zinc/41/11/78/1426411178.db2.gz CWQHWDMAOFBEEO-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)Cc1ccccc1F ZINC001731324336 1427264883 /nfs/dbraw/zinc/26/48/83/1427264883.db2.gz YTBAACWMWRQUES-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001731427672 1427408898 /nfs/dbraw/zinc/40/88/98/1427408898.db2.gz VPJRFRYFDKJXTR-QSAAVLFXSA-N 2 0 347.547 3.138 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCC1 ZINC001731492666 1427467247 /nfs/dbraw/zinc/46/72/47/1427467247.db2.gz FCBYKAUZIVXXSD-HSALFYBXSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731541588 1427551319 /nfs/dbraw/zinc/55/13/19/1427551319.db2.gz GNMIZAMBVKLSBB-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001731550327 1427569169 /nfs/dbraw/zinc/56/91/69/1427569169.db2.gz GJKROORYLZXDAN-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731550945 1427570278 /nfs/dbraw/zinc/57/02/78/1427570278.db2.gz YQIWXWDOKXUISP-WLMAVBAVSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001731559832 1427592439 /nfs/dbraw/zinc/59/24/39/1427592439.db2.gz PPHJZQKQWLAPRO-IRXDYDNUSA-N 2 0 337.552 3.266 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001731570326 1427610546 /nfs/dbraw/zinc/61/05/46/1427610546.db2.gz YSUUGLMZYYDDTO-UHFFFAOYSA-N 2 0 328.460 3.073 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2CCC([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001731572403 1427614142 /nfs/dbraw/zinc/61/41/42/1427614142.db2.gz YXCXQSGORUODPP-AOCRQIFASA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]([NH2+]C1CCC(NC(=O)CCCC[NH+](C)C)CC1)c1ccccc1 ZINC001731572557 1427614856 /nfs/dbraw/zinc/61/48/56/1427614856.db2.gz BHWNHASNGZVGNL-QHGAOEGBSA-N 2 0 345.531 3.497 10 0 EGAERP C[C@@H](CNC(=O)C[NH+]1CCCC1)[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001731637663 1427693976 /nfs/dbraw/zinc/69/39/76/1427693976.db2.gz RSSQRZZRXYJYGT-AOCRQIFASA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001731701200 1427753469 /nfs/dbraw/zinc/75/34/69/1427753469.db2.gz VCSGZCHHTOQHHB-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001731734967 1427814326 /nfs/dbraw/zinc/81/43/26/1427814326.db2.gz AJQKKLVCMRORDC-QZTJIDSGSA-N 2 0 345.531 3.136 10 0 EGAERP CCc1ccccc1C[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001731816737 1428012923 /nfs/dbraw/zinc/01/29/23/1428012923.db2.gz QVYZSZQPJVKMPH-QZTJIDSGSA-N 2 0 345.531 3.060 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]2CCC[NH+]2CCCC(C)C)C1 ZINC001731832230 1428043778 /nfs/dbraw/zinc/04/37/78/1428043778.db2.gz XBVRGAKUVCHXRK-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001731842345 1428065506 /nfs/dbraw/zinc/06/55/06/1428065506.db2.gz PDDMFJAGFLSHKN-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cccc(F)c1 ZINC001731867173 1428115612 /nfs/dbraw/zinc/11/56/12/1428115612.db2.gz VKOMTTUXUINBAE-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001733597591 1429796429 /nfs/dbraw/zinc/79/64/29/1429796429.db2.gz HCYAYEFFNIBUPP-IPMKNSEASA-N 2 0 335.536 3.116 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001733606457 1429819803 /nfs/dbraw/zinc/81/98/03/1429819803.db2.gz IZTWRLFBMLHAGD-FHWLQOOXSA-N 2 0 349.563 3.076 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001733607776 1429824062 /nfs/dbraw/zinc/82/40/62/1429824062.db2.gz VYYWSXQOOUMCJF-XUVXKRRUSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733671504 1429865382 /nfs/dbraw/zinc/86/53/82/1429865382.db2.gz JTCUSCXGFFTPCD-WOJBJXKFSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1 ZINC001733719611 1429940042 /nfs/dbraw/zinc/94/00/42/1429940042.db2.gz UYUHYHAPMQLPOS-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CCC[NH+](CCCC(C)C)CC1 ZINC001733761713 1429976438 /nfs/dbraw/zinc/97/64/38/1429976438.db2.gz YOGHOUMZKXHZRU-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001733782532 1430048751 /nfs/dbraw/zinc/04/87/51/1430048751.db2.gz JXGWCGHSLIKNGB-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001733855390 1437688643 /nfs/dbraw/zinc/68/86/43/1437688643.db2.gz UBBQDPDODKKOGZ-FXAWDEMLSA-N 2 0 345.531 3.235 10 0 EGAERP CC1([NH2+]CCCC2CCCC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001733868198 1437695041 /nfs/dbraw/zinc/69/50/41/1437695041.db2.gz BRQHDTLUJKIJIY-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CC[NH+](C)CC ZINC001733907097 1437725564 /nfs/dbraw/zinc/72/55/64/1437725564.db2.gz KUDJLJNIOHULFN-FXAWDEMLSA-N 2 0 345.531 3.090 10 0 EGAERP C[N@H+](CC1CCCC1)C[C@@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001733939671 1437755812 /nfs/dbraw/zinc/75/58/12/1437755812.db2.gz OVOXKWPGIRLUGZ-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001733998252 1437791826 /nfs/dbraw/zinc/79/18/26/1437791826.db2.gz XLRLEJSKOWYHMS-IAGOWNOFSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001734014230 1437805028 /nfs/dbraw/zinc/80/50/28/1437805028.db2.gz ZEXITLXAVCAJEG-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001734019565 1437808757 /nfs/dbraw/zinc/80/87/57/1437808757.db2.gz JSTJXJDFUSKPGU-HNNXBMFYSA-N 2 0 348.466 3.079 10 0 EGAERP Cc1ccccc1C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734067340 1437862309 /nfs/dbraw/zinc/86/23/09/1437862309.db2.gz XVEMWWDOGXDUFM-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccccc1F)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001734093909 1437878197 /nfs/dbraw/zinc/87/81/97/1437878197.db2.gz OMBDHZFZGOYGIG-PKOBYXMFSA-N 2 0 349.494 3.075 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001734098606 1437882973 /nfs/dbraw/zinc/88/29/73/1437882973.db2.gz ZSNSMHYBMZPPNG-CTWPCTMYSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734118064 1437899928 /nfs/dbraw/zinc/89/99/28/1437899928.db2.gz AWMVZXFNAIITGJ-IPLHWJFFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH+]2CC([C@@H](C)NC(=O)CC[NH+](C)C)C2)cc1 ZINC001734122090 1437902030 /nfs/dbraw/zinc/90/20/30/1437902030.db2.gz ZAIOBZFTUKSIBO-IAGOWNOFSA-N 2 0 345.531 3.259 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001734194660 1437935523 /nfs/dbraw/zinc/93/55/23/1437935523.db2.gz UENFPZDYPYWNER-SLFFLAALSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@H](C)CC[C@H]3C)C2)C1 ZINC001734197096 1437938382 /nfs/dbraw/zinc/93/83/82/1437938382.db2.gz VYLBGURWNNSFAD-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](C(=O)N1C[C@]2(C)C[N@H+](CC3CCC3)C[C@]2(C)C1)[NH+](CC)CC ZINC001734198551 1437939848 /nfs/dbraw/zinc/93/98/48/1437939848.db2.gz OENQWHIRKXMGRC-NRSPTQNISA-N 2 0 349.563 3.077 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCCC[NH+]3CC)C[C@@]2(C)C1 ZINC001734204929 1437942565 /nfs/dbraw/zinc/94/25/65/1437942565.db2.gz BJBRALGTUXCCLT-NRSPTQNISA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001734211183 1437944400 /nfs/dbraw/zinc/94/44/00/1437944400.db2.gz IZLXBMRAHHRPIA-BZSNNMDCSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C[NH2+][C@H](C)c1ccccc1F)C1CC1 ZINC001734308923 1438040306 /nfs/dbraw/zinc/04/03/06/1438040306.db2.gz PMOIFFGAVLEZMS-BEFAXECRSA-N 2 0 349.494 3.054 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308842 1438040484 /nfs/dbraw/zinc/04/04/84/1438040484.db2.gz NSPQJIURVJSCFE-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001734308888 1438040549 /nfs/dbraw/zinc/04/05/49/1438040549.db2.gz OQKIWGCCCOJONX-UXHICEINSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001734394684 1438080094 /nfs/dbraw/zinc/08/00/94/1438080094.db2.gz JVTPTKFAQBAIJJ-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001734422785 1438090209 /nfs/dbraw/zinc/09/02/09/1438090209.db2.gz YEIMHCFYQOKFIR-QZTJIDSGSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001734566711 1438162024 /nfs/dbraw/zinc/16/20/24/1438162024.db2.gz DWMOZNGGLKRWKK-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001734568160 1438163124 /nfs/dbraw/zinc/16/31/24/1438163124.db2.gz QBTAXWUJIPSKOT-QGZVFWFLSA-N 2 0 325.541 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001734569190 1438163582 /nfs/dbraw/zinc/16/35/82/1438163582.db2.gz NDXODBHHWHGURV-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001734575559 1438168821 /nfs/dbraw/zinc/16/88/21/1438168821.db2.gz VJDMNRJLMNFZTE-JTHGQSKGSA-N 2 0 337.552 3.195 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)C[NH+]1CCC(C)CC1)C(C)(C)C ZINC001734575558 1438168938 /nfs/dbraw/zinc/16/89/38/1438168938.db2.gz VJDMNRJLMNFZTE-DVBCCOPCSA-N 2 0 337.552 3.195 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001734579643 1438171943 /nfs/dbraw/zinc/17/19/43/1438171943.db2.gz GPUMCTMCSGHDNK-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CC(C[N@H+]2CC=C(CNC(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001734638988 1438197823 /nfs/dbraw/zinc/19/78/23/1438197823.db2.gz BRBMKSUNSJEYQH-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001750943424 1440117114 /nfs/dbraw/zinc/11/71/14/1440117114.db2.gz FYULEVNNCFUILL-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+](Cc1cccc(OCC(F)(F)F)c1)CC1CC[NH+](C)CC1 ZINC000154752169 529995409 /nfs/dbraw/zinc/99/54/09/529995409.db2.gz VGIBUJDPDZJNTB-UHFFFAOYSA-N 2 0 330.394 3.401 10 0 EGAERP [NH3+]C[C@H]1Cc2cc(Cl)cc(-c3ccc(C[NH+]4CCCC4)cn3)c2O1 ZINC000067772484 215208847 /nfs/dbraw/zinc/20/88/47/215208847.db2.gz CALZTZGEOSWGML-MRXNPFEDSA-N 2 0 343.858 3.260 10 0 EGAERP CC[C@H]([NH3+])[C@H](c1ccc(Br)s1)N(C)CCC[NH+](C)C ZINC000104203091 219361036 /nfs/dbraw/zinc/36/10/36/219361036.db2.gz POLQDOSGACJBRY-SMDDNHRTSA-N 2 0 348.354 3.173 10 0 EGAERP COc1ccc2ccccc2c1C[NH2+]CC1CC[NH+](C[C@@H](C)O)CC1 ZINC000069329807 215379865 /nfs/dbraw/zinc/37/98/65/215379865.db2.gz YZEJDTJSBDJSQK-MRXNPFEDSA-N 2 0 342.483 3.031 10 0 EGAERP C[C@H]([NH2+]CCCc1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000181491893 234204111 /nfs/dbraw/zinc/20/41/11/234204111.db2.gz OBMSRSFZDNKEKC-KRWDZBQOSA-N 2 0 327.472 3.305 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCN(C(C)=O)Cc3ccccc32)CC1 ZINC000352686328 283318434 /nfs/dbraw/zinc/31/84/34/283318434.db2.gz YROVYDRUUNWANL-NRFANRHFSA-N 2 0 343.515 3.192 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccncc1 ZINC000111228383 220115625 /nfs/dbraw/zinc/11/56/25/220115625.db2.gz ULNZBOMTOXPGLM-DYESRHJHSA-N 2 0 339.483 3.178 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@H]2CCC[C@H]2c2ccc(F)cc2)CC1 ZINC000246832176 141037244 /nfs/dbraw/zinc/03/72/44/141037244.db2.gz ALSAMGSZCPNMGE-PMACEKPBSA-N 2 0 333.495 3.079 10 0 EGAERP CCN(C(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C)C1CCCCC1 ZINC000178320441 144069071 /nfs/dbraw/zinc/06/90/71/144069071.db2.gz AATGYIOOELGDNU-VQIMIIECSA-N 2 0 346.519 3.226 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]CCC[N@H+](C)C2CCCCC2)C12CCOCC2 ZINC000186222633 144127897 /nfs/dbraw/zinc/12/78/97/144127897.db2.gz LBUSXWKGMCUJEJ-MOPGFXCFSA-N 2 0 338.536 3.205 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]([C@@H]4CCOC4)C3)CC2)cc[nH+]1 ZINC000341392766 155265885 /nfs/dbraw/zinc/26/58/85/155265885.db2.gz DZGDXCQRXYYTNK-VAMGGRTRSA-N 2 0 343.515 3.483 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-n3ccnc3)cc2C)[C@H](C)C1 ZINC000192110258 153243589 /nfs/dbraw/zinc/24/35/89/153243589.db2.gz HLQOWVXCQAQNJJ-XLIONFOSSA-N 2 0 326.488 3.343 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071714 154137998 /nfs/dbraw/zinc/13/79/98/154137998.db2.gz ACKOZLLJAXITGS-VURPSTOHSA-N 2 0 329.532 3.217 10 0 EGAERP COc1cc(C[NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000310950096 154144426 /nfs/dbraw/zinc/14/44/26/154144426.db2.gz LUGFHYXWMZCTQL-APWZRJJASA-N 2 0 340.467 3.401 10 0 EGAERP CCCN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000336707231 154212153 /nfs/dbraw/zinc/21/21/53/154212153.db2.gz MBPOVJHOFDNART-NHCUHLMSSA-N 2 0 329.532 3.363 10 0 EGAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3cnc(-c4ccncc4)s3)C2)CC1 ZINC000349131034 156363649 /nfs/dbraw/zinc/36/36/49/156363649.db2.gz PGKAWNRDSOHCLZ-KRWDZBQOSA-N 2 0 342.512 3.369 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(COC)CCC2)CC1 ZINC000337242560 163176081 /nfs/dbraw/zinc/17/60/81/163176081.db2.gz GERCHZAWAZBWOZ-UHFFFAOYSA-N 2 0 345.531 3.125 10 0 EGAERP Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000343667554 164007802 /nfs/dbraw/zinc/00/78/02/164007802.db2.gz ZORZWFMUMATEKI-QGZVFWFLSA-N 2 0 327.457 3.395 10 0 EGAERP CC[NH+](CC)CCN(Cc1cn(-c2cc[nH+]cc2)nc1C)CC(C)C ZINC000346170775 164355908 /nfs/dbraw/zinc/35/59/08/164355908.db2.gz JXDQFQLRKMTZOJ-UHFFFAOYSA-N 2 0 343.519 3.376 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)[C@@H]1Cc2ccccc2O1 ZINC000346178763 164358050 /nfs/dbraw/zinc/35/80/50/164358050.db2.gz SIVPEFFKSIMXEG-IERDGZPVSA-N 2 0 348.450 3.400 10 0 EGAERP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000352082145 165224850 /nfs/dbraw/zinc/22/48/50/165224850.db2.gz HXYVITCLRRXEFL-FHLIZLRMSA-N 2 0 339.886 3.298 10 0 EGAERP Cc1nccn1CCN1CCO[C@H](c2ccccc2C(F)(F)F)C1 ZINC000359541540 167186327 /nfs/dbraw/zinc/18/63/27/167186327.db2.gz RNJUUUOVLLGFQL-INIZCTEOSA-N 2 0 339.361 3.284 10 0 EGAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566550 167195299 /nfs/dbraw/zinc/19/52/99/167195299.db2.gz WAXVDHWHOYAIDN-BBWFWOEESA-N 2 0 335.492 3.090 10 0 EGAERP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367612665 168249699 /nfs/dbraw/zinc/24/96/99/168249699.db2.gz DSVHXYSRHVUDIX-VAMGGRTRSA-N 2 0 332.488 3.064 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000677854746 549344031 /nfs/dbraw/zinc/34/40/31/549344031.db2.gz ZGWZTJHAZCGBIM-HKUYNNGSSA-N 2 0 334.504 3.310 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179515739 265380778 /nfs/dbraw/zinc/38/07/78/265380778.db2.gz WIFGPXDORMBWJM-QDLOVBKTSA-N 2 0 336.907 3.378 10 0 EGAERP C[NH+](C)CCCC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000271368741 266649599 /nfs/dbraw/zinc/64/95/99/266649599.db2.gz OXDWSDTVAKXHMN-OAQYLSRUSA-N 2 0 329.532 3.315 10 0 EGAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000275584805 267385764 /nfs/dbraw/zinc/38/57/64/267385764.db2.gz NZABCJOFNGQZBC-FYZZASKESA-N 2 0 328.500 3.290 10 0 EGAERP COc1ccccc1NC(=O)C[C@@H](C)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366283250 274161214 /nfs/dbraw/zinc/16/12/14/274161214.db2.gz MQKKPFIHMIOSNI-KLAILNCOSA-N 2 0 345.487 3.019 10 0 EGAERP C[C@](O)(C[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000278831053 275278868 /nfs/dbraw/zinc/27/88/68/275278868.db2.gz TZITVOLKMYOYJR-NXOAAHMSSA-N 2 0 342.405 3.085 10 0 EGAERP CC(C)(C)[NH+]1CCC([NH2+][C@H]2CCOC3(CCSCC3)C2)CC1 ZINC000358295675 277152527 /nfs/dbraw/zinc/15/25/27/277152527.db2.gz KLSRJKFSBAUCRB-INIZCTEOSA-N 2 0 326.550 3.284 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)CC1 ZINC000073366192 307385652 /nfs/dbraw/zinc/38/56/52/307385652.db2.gz CZTFYIVMSNHWHG-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP OC1(C[NH2+][C@@H]2CC[C@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414295046 309071139 /nfs/dbraw/zinc/07/11/39/309071139.db2.gz CYAIVDVTGCMQMY-VQTJNVASSA-N 2 0 328.500 3.182 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](OC)C(C)(C)C)CC1 ZINC000236783549 307944165 /nfs/dbraw/zinc/94/41/65/307944165.db2.gz QHSWQLJHVOQFEV-HXUWFJFHSA-N 2 0 347.547 3.369 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1C[C@@H](C)[C@@H]([NH+]2CCOCC2)C1 ZINC000248397858 308002134 /nfs/dbraw/zinc/00/21/34/308002134.db2.gz SJJZZWWHTMFSKO-AEFFLSMTSA-N 2 0 325.456 3.009 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000293033951 308092410 /nfs/dbraw/zinc/09/24/10/308092410.db2.gz KEYQMOHGKWGSIK-AWEZNQCLSA-N 2 0 329.419 3.305 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CS[C@@H](C)C2)CC1 ZINC000414498013 309084652 /nfs/dbraw/zinc/08/46/52/309084652.db2.gz LXJSAZOCVBJOLG-FUHWJXTLSA-N 2 0 333.545 3.202 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)cs1 ZINC000295657337 308347797 /nfs/dbraw/zinc/34/77/97/308347797.db2.gz JGCBLZVGMURRSR-UHFFFAOYSA-N 2 0 330.497 3.303 10 0 EGAERP C[C@@H](NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1)[C@H](C)[NH3+] ZINC000414708046 309096451 /nfs/dbraw/zinc/09/64/51/309096451.db2.gz IFYMLQXSMXXFGM-LSDHHAIUSA-N 2 0 332.492 3.308 10 0 EGAERP c1ccc(N2CC[C@H](C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)C2)cc1 ZINC000298291149 308600930 /nfs/dbraw/zinc/60/09/30/308600930.db2.gz HFZVHQKKMKDBSV-GOSISDBHSA-N 2 0 336.483 3.167 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)Nc2ccc(F)cc2)cc1 ZINC000414816263 309103354 /nfs/dbraw/zinc/10/33/54/309103354.db2.gz ZSVJTWCBAPANGW-KBPBESRZSA-N 2 0 329.419 3.352 10 0 EGAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]CC2([NH3+])CCCCCC2)c1 ZINC000414863166 309106150 /nfs/dbraw/zinc/10/61/50/309106150.db2.gz WYMOQFKRXXSRKB-OAHLLOKOSA-N 2 0 333.476 3.054 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414943385 309110517 /nfs/dbraw/zinc/11/05/17/309110517.db2.gz NSTLDDUYVYGEJR-NHYWBVRUSA-N 2 0 338.377 3.183 10 0 EGAERP CCCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OC ZINC000415032859 309115502 /nfs/dbraw/zinc/11/55/02/309115502.db2.gz BCIZJJQSQZWJPV-ROUUACIJSA-N 2 0 332.488 3.448 10 0 EGAERP COc1ccc(-c2ccncc2)cc1C[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415049589 309116400 /nfs/dbraw/zinc/11/64/00/309116400.db2.gz DNIOWGLWXJEPBP-FOIQADDNSA-N 2 0 325.456 3.174 10 0 EGAERP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415053855 309116844 /nfs/dbraw/zinc/11/68/44/309116844.db2.gz KSWCTKOIFMTOAM-IIBYNOLFSA-N 2 0 340.515 3.273 10 0 EGAERP CCSc1cccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415061601 309117498 /nfs/dbraw/zinc/11/74/98/309117498.db2.gz YUNWIKRWIVKVOK-UHFFFAOYSA-N 2 0 333.545 3.105 10 0 EGAERP C[C@@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(Cn2ccnc2)cc1 ZINC000415075318 309118551 /nfs/dbraw/zinc/11/85/51/309118551.db2.gz BIHMTMHOUUYFSS-PXNSSMCTSA-N 2 0 326.488 3.332 10 0 EGAERP CCN1CC[C@@H]([NH2+]C2CCC([NH3+])CC2)[C@H]1c1cc(F)c(F)c(F)c1 ZINC000415114654 309121257 /nfs/dbraw/zinc/12/12/57/309121257.db2.gz TUVVAJXZQGHBLP-ZBIUXTHTSA-N 2 0 341.421 3.099 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000415930767 309149423 /nfs/dbraw/zinc/14/94/23/309149423.db2.gz KWCMEBQIZDBEJG-UHFFFAOYSA-N 2 0 332.492 3.182 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCCC[C@@H]2C)cc1 ZINC000417027138 309190198 /nfs/dbraw/zinc/19/01/98/309190198.db2.gz APECEOBOECRDLE-DLBZAZTESA-N 2 0 346.519 3.160 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@H+](C[C@@H]2CCCO2)C2CCCC2)cc1 ZINC000420314115 309281478 /nfs/dbraw/zinc/28/14/78/309281478.db2.gz YUEBCZSNKIIDBM-PXNSSMCTSA-N 2 0 332.488 3.161 10 0 EGAERP CCN1CC[C@H]([NH2+]CC[C@@H]2CC[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000420413189 309287124 /nfs/dbraw/zinc/28/71/24/309287124.db2.gz SUEIOKRWOFELNS-KKXDTOCCSA-N 2 0 339.886 3.204 10 0 EGAERP Cc1c(Cl)c(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)nn1C ZINC000421326049 309318611 /nfs/dbraw/zinc/31/86/11/309318611.db2.gz NAROUAOJAVGSIY-UHFFFAOYSA-N 2 0 346.906 3.384 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C2CCC([NH+](C)C)CC2)cc1NC(C)=O ZINC000421372810 309321254 /nfs/dbraw/zinc/32/12/54/309321254.db2.gz MUMUSKZBKGWGGA-NVPAJSRCSA-N 2 0 333.476 3.177 10 0 EGAERP CCC(CC)C(=O)N1CCC([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)CC1 ZINC000422701611 309363919 /nfs/dbraw/zinc/36/39/19/309363919.db2.gz DLKAMCVRXHBVMP-HSALFYBXSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H]([NH3+])C[C@H](C)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720649 309364845 /nfs/dbraw/zinc/36/48/45/309364845.db2.gz ZYOFNIMKKZHTEM-KBPBESRZSA-N 2 0 343.437 3.385 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)COc1ccc(F)cc1F ZINC000422757172 309366881 /nfs/dbraw/zinc/36/68/81/309366881.db2.gz IFPJIIVCNSSNOH-RYUDHWBXSA-N 2 0 335.398 3.245 10 0 EGAERP COc1ccc([C@@H](NCC[NH+](C(C)C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422767134 309367279 /nfs/dbraw/zinc/36/72/79/309367279.db2.gz YDLFCLDWIBCWKM-VQTJNVASSA-N 2 0 333.520 3.197 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000422783884 309368121 /nfs/dbraw/zinc/36/81/21/309368121.db2.gz LMUSHKZFOYAUTQ-MRXNPFEDSA-N 3 0 338.499 3.295 10 0 EGAERP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422824396 309370434 /nfs/dbraw/zinc/37/04/34/309370434.db2.gz GZZFRXHJYAQBDJ-CEXWTWQISA-N 2 0 328.504 3.082 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+][C@@H]1CCN(c2c(F)cccc2F)C1 ZINC000422867453 309372716 /nfs/dbraw/zinc/37/27/16/309372716.db2.gz SHNGBTDFCAPSCR-GMBSWORKSA-N 2 0 345.437 3.092 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@H](C)C[C@H]2CCCCC[NH2+]2)C1 ZINC000422871924 309373135 /nfs/dbraw/zinc/37/31/35/309373135.db2.gz DXKLWOUAZVJTCN-KURKYZTESA-N 2 0 331.504 3.174 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422903970 309375401 /nfs/dbraw/zinc/37/54/01/309375401.db2.gz GEJDFMRAQUBXNA-QMTMVMCOSA-N 2 0 337.458 3.036 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913441 309375963 /nfs/dbraw/zinc/37/59/63/309375963.db2.gz YJGJPQCBJIDCFA-ZMYBRWDISA-N 2 0 337.458 3.179 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913438 309376119 /nfs/dbraw/zinc/37/61/19/309376119.db2.gz YJGJPQCBJIDCFA-GDIGMMSISA-N 2 0 337.458 3.179 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937827 309377157 /nfs/dbraw/zinc/37/71/57/309377157.db2.gz OZTAROYVXYSVKD-FPOVZHCZSA-N 2 0 342.483 3.437 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422947304 309377565 /nfs/dbraw/zinc/37/75/65/309377565.db2.gz YEPUUURCSLFSQX-ORYQWCPZSA-N 2 0 340.467 3.108 10 0 EGAERP CC[C@H](Nc1cccc(C[NH+]2C[C@H](C)O[C@@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422957460 309378134 /nfs/dbraw/zinc/37/81/34/309378134.db2.gz UGJXWFDHJHRMPH-FVCZOJIISA-N 2 0 331.504 3.238 10 0 EGAERP C[C@H]([NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1)c1cnccc1N ZINC000423004694 309380426 /nfs/dbraw/zinc/38/04/26/309380426.db2.gz PTHKGPNQVJBWDY-JENIJYKNSA-N 2 0 338.499 3.445 10 0 EGAERP CC(C)N1CC[C@@H]([NH2+][C@@H](C)C[C@H](C)[NH3+])[C@@H]1c1ccc(F)c(F)c1 ZINC000423042874 309382527 /nfs/dbraw/zinc/38/25/27/309382527.db2.gz MMPZKMVNQZTJTI-UHIXZJCNSA-N 2 0 325.447 3.204 10 0 EGAERP CC(C)N1CC[C@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043653 309382677 /nfs/dbraw/zinc/38/26/77/309382677.db2.gz PLWKRCPYMBTYIX-PMVJOBDPSA-N 2 0 349.469 3.361 10 0 EGAERP Clc1cccc2c1CCN(CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)C2 ZINC000423053922 309383332 /nfs/dbraw/zinc/38/33/32/309383332.db2.gz BGMPALPFKUSCRY-SXLOBPIMSA-N 2 0 347.934 3.208 10 0 EGAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082319 309384968 /nfs/dbraw/zinc/38/49/68/309384968.db2.gz DDXHKISXMIRORD-XMSQKQJNSA-N 2 0 337.511 3.451 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCCC1CCOCC1 ZINC000423143868 309388182 /nfs/dbraw/zinc/38/81/82/309388182.db2.gz FFORFSLVBQIJJD-UYAOXDASSA-N 2 0 330.472 3.039 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423154695 309388737 /nfs/dbraw/zinc/38/87/37/309388737.db2.gz PKAREFZNDGRVMV-UKRRQHHQSA-N 2 0 348.441 3.250 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000423249570 309392395 /nfs/dbraw/zinc/39/23/95/309392395.db2.gz OVSHGUSQACILGC-GCJKJVERSA-N 2 0 337.511 3.372 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(C)CC[NH2+]CC2)CC1 ZINC000423334054 309395718 /nfs/dbraw/zinc/39/57/18/309395718.db2.gz QJPKPBNAXCLDTI-SFHVURJKSA-N 3 0 329.532 3.061 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1cc(Br)cc2F ZINC000423362078 309396909 /nfs/dbraw/zinc/39/69/09/309396909.db2.gz AUCVSOJRTKSIMV-DFKRKDTASA-N 2 0 327.241 3.163 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@@H](Cc1ccccc1Br)C1CC1 ZINC000423363224 309397053 /nfs/dbraw/zinc/39/70/53/309397053.db2.gz BPFODKOKCCONMV-DQYPLSBCSA-N 2 0 337.305 3.358 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)CC1 ZINC000423426095 309399967 /nfs/dbraw/zinc/39/99/67/309399967.db2.gz PDIAEZMDPORSJF-JBACZVJFSA-N 3 0 343.559 3.437 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CC(C)(C)C[C@H]3C)cn2)CC1 ZINC000434764846 309719699 /nfs/dbraw/zinc/71/96/99/309719699.db2.gz PHGZSNPMNMYBPP-AEFFLSMTSA-N 2 0 330.520 3.138 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449057980 310033811 /nfs/dbraw/zinc/03/38/11/310033811.db2.gz FWRBPDODUSJPPP-NQIIRXRSSA-N 2 0 329.532 3.156 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000449131018 310039314 /nfs/dbraw/zinc/03/93/14/310039314.db2.gz JOKOKXQFUKRNPU-YVWKXTFCSA-N 2 0 349.950 3.449 10 0 EGAERP CC[NH+](CC)C[C@@H](C)NC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449132313 310039327 /nfs/dbraw/zinc/03/93/27/310039327.db2.gz UDCHEQRPIOLXRT-MOPGFXCFSA-N 2 0 331.548 3.402 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)N1CC[NH+](C)CC1 ZINC000449137860 310039527 /nfs/dbraw/zinc/03/95/27/310039527.db2.gz YWKCEUGYCOVHMG-HHXXYDBFSA-N 2 0 335.923 3.202 10 0 EGAERP COCC[C@@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449140699 310039815 /nfs/dbraw/zinc/03/98/15/310039815.db2.gz JWFCZEKZUGKKSN-LJQANCHMSA-N 2 0 328.541 3.043 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000449147861 310040267 /nfs/dbraw/zinc/04/02/67/310040267.db2.gz IHQRQUGGNUFSII-PXNSSMCTSA-N 2 0 332.532 3.469 10 0 EGAERP CCC(CC)[C@H](O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449154058 310040857 /nfs/dbraw/zinc/04/08/57/310040857.db2.gz GZWSREFFKVGDHN-DYESRHJHSA-N 2 0 332.532 3.469 10 0 EGAERP CC[NH+](CC)CCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449222969 310045829 /nfs/dbraw/zinc/04/58/29/310045829.db2.gz XKOHSIBHTDHWKK-IBGZPJMESA-N 2 0 331.548 3.404 10 0 EGAERP COCC[C@@H](COC)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449333266 310054288 /nfs/dbraw/zinc/05/42/88/310054288.db2.gz GDPHLPUQVYPMDI-KRWDZBQOSA-N 2 0 328.541 3.307 10 0 EGAERP CO[C@@H]([C@@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449627934 310075963 /nfs/dbraw/zinc/07/59/63/310075963.db2.gz HRIHRKKJBMYONG-LZJOCLMNSA-N 2 0 330.516 3.485 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000450458833 310124023 /nfs/dbraw/zinc/12/40/23/310124023.db2.gz YUSOOTZUUMFQSX-LJQANCHMSA-N 2 0 332.488 3.161 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2c(Cl)cccc2-n2ccnc2)[C@@H]2CCC[C@H]21 ZINC000453232110 310265642 /nfs/dbraw/zinc/26/56/42/310265642.db2.gz JCGAFKIIEJYLAT-JCGIZDLHSA-N 2 0 344.890 3.488 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CC(F)(F)C2)CC1 ZINC000491560081 311184763 /nfs/dbraw/zinc/18/47/63/311184763.db2.gz NMPFGKRTIDBSCG-UHFFFAOYSA-N 2 0 337.458 3.354 10 0 EGAERP Cc1ccc(C)c(OC[C@@H](O)C[NH2+]C2CCC(C[NH+](C)C)CC2)c1C ZINC000519545599 312459311 /nfs/dbraw/zinc/45/93/11/312459311.db2.gz XTTQCIHJLBGHSD-MHJFOBGBSA-N 2 0 348.531 3.062 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)C1CC(F)(F)C1 ZINC000529544998 313351284 /nfs/dbraw/zinc/35/12/84/313351284.db2.gz YMUFENWYBITDJK-KSSFIOAISA-N 2 0 338.442 3.167 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cccc2c1OC(F)(F)O2 ZINC000530216096 313498714 /nfs/dbraw/zinc/49/87/14/313498714.db2.gz MMPYLISXLKDDJN-NSHDSACASA-N 2 0 349.381 3.064 10 0 EGAERP CCCCOc1ccccc1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530247971 313505137 /nfs/dbraw/zinc/50/51/37/313505137.db2.gz FMJUCOAGFNYYAS-FQEVSTJZSA-N 2 0 346.515 3.456 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538098604 314227139 /nfs/dbraw/zinc/22/71/39/314227139.db2.gz JGTMCISRWIMJPY-HRAATJIYSA-N 2 0 347.522 3.448 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C[C@@H](C)OC)C(C)C)CC1 ZINC000538718877 314269510 /nfs/dbraw/zinc/26/95/10/314269510.db2.gz UPBVRQFULXYOPP-LJQANCHMSA-N 2 0 347.547 3.464 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[N@H+](C)[C@H](C)C3)c2)C[C@@H](C)O1 ZINC000539687461 314328800 /nfs/dbraw/zinc/32/88/00/314328800.db2.gz DDZVDRKWSHQMAJ-WOCWXWTJSA-N 2 0 331.504 3.190 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000540605540 314392177 /nfs/dbraw/zinc/39/21/77/314392177.db2.gz FAIFRJLYBWHIQQ-INIZCTEOSA-N 2 0 329.488 3.379 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1)C1CCCCCC1 ZINC000544362326 314689649 /nfs/dbraw/zinc/68/96/49/314689649.db2.gz CPKBNVRKBKGMTA-KRWDZBQOSA-N 2 0 330.520 3.282 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCO[C@@H]1CC(C)C ZINC000548478014 315014849 /nfs/dbraw/zinc/01/48/49/315014849.db2.gz GGJHUOJTWHFUMS-RBUKOAKNSA-N 2 0 328.460 3.259 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCOC(C)C)CC1 ZINC000552292351 315211651 /nfs/dbraw/zinc/21/16/51/315211651.db2.gz NNHFSHKDWDRGTC-UHFFFAOYSA-N 2 0 347.547 3.466 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000564852368 316217837 /nfs/dbraw/zinc/21/78/37/316217837.db2.gz KYYWVIXXUNPYPG-UHFFFAOYSA-N 2 0 337.895 3.379 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2[NH2+]CCCC2(C)C)CC1 ZINC000565719486 316361268 /nfs/dbraw/zinc/36/12/68/316361268.db2.gz XPUPMFVQEIOEGR-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH+]2CCN(CC[NH+]3[C@H](C)CC[C@H]3C)CC2)C1 ZINC000565781730 316369095 /nfs/dbraw/zinc/36/90/95/316369095.db2.gz ZCOPKEGNBNOFPE-KCLUMXDGSA-N 2 0 333.564 3.469 10 0 EGAERP [NH3+]C[C@H]1c2ccccc2CCN1C(=O)CC[C@@H]([NH3+])CC1CCCCC1 ZINC000570281877 317033187 /nfs/dbraw/zinc/03/31/87/317033187.db2.gz PAPWJADKAMHISA-QUCCMNQESA-N 2 0 343.515 3.149 10 0 EGAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)CS2 ZINC000574811679 317638721 /nfs/dbraw/zinc/63/87/21/317638721.db2.gz NYLZCOQUUIPJNB-LTIDMASMSA-N 2 0 332.513 3.440 10 0 EGAERP OC1(C[NH2+]Cc2ccc3cc[nH]c3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397541386 324294878 /nfs/dbraw/zinc/29/48/78/324294878.db2.gz MCYLZWAPVKSDAQ-UHFFFAOYSA-N 2 0 349.478 3.285 10 0 EGAERP C[C@H](NC[C@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@@H]1CCC[NH2+]C1 ZINC000579699574 325146406 /nfs/dbraw/zinc/14/64/06/325146406.db2.gz VHCPDDPHNCDGAO-CEWLAPEOSA-N 2 0 329.532 3.266 10 0 EGAERP C[C@H](c1ccc(-n2cncn2)cc1)[N@H+](C)Cc1ccc2c(c1)C[NH2+]CC2 ZINC000580455935 325253347 /nfs/dbraw/zinc/25/33/47/325253347.db2.gz UTARXWDYGGMRMQ-MRXNPFEDSA-N 2 0 347.466 3.106 10 0 EGAERP COc1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1OC ZINC000581005741 325320240 /nfs/dbraw/zinc/32/02/40/325320240.db2.gz HSPGNPUMRSVNMT-FGTMMUONSA-N 2 0 332.488 3.147 10 0 EGAERP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cn2ccccc2n1 ZINC000583035925 325489907 /nfs/dbraw/zinc/48/99/07/325489907.db2.gz YBMHWBSAPYEKPW-MRXNPFEDSA-N 2 0 335.455 3.297 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000183212135 455252526 /nfs/dbraw/zinc/25/25/26/455252526.db2.gz MEADYXXQKCWFHX-NFQUHZNNSA-N 2 0 332.488 3.001 10 0 EGAERP COc1ccc(OC(F)F)c(CN[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623445405 460555193 /nfs/dbraw/zinc/55/51/93/460555193.db2.gz PQIVNCRWNBFWQW-CYBMUJFWSA-N 2 0 328.403 3.259 10 0 EGAERP O[C@@H]1CCCC[C@H]1C[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245717329 455363387 /nfs/dbraw/zinc/36/33/87/455363387.db2.gz OFEVWWDJVWDOJD-JRSUCEMESA-N 2 0 328.500 3.323 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)CC1(C)C ZINC000623575130 460621655 /nfs/dbraw/zinc/62/16/55/460621655.db2.gz LWLQTEQFFRWHFM-UXHICEINSA-N 2 0 346.515 3.345 10 0 EGAERP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2ccsc2)CC1)c1ccccc1 ZINC000071877268 454239455 /nfs/dbraw/zinc/23/94/55/454239455.db2.gz QCKGNWRAXAVNCP-IBGZPJMESA-N 2 0 330.497 3.283 10 0 EGAERP CCC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691619 454300732 /nfs/dbraw/zinc/30/07/32/454300732.db2.gz HBDPMVVCVFYKSL-MSOLQXFVSA-N 2 0 345.531 3.455 10 0 EGAERP CC(C)[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000182108479 455437509 /nfs/dbraw/zinc/43/75/09/455437509.db2.gz YAAYRRJNNXSZON-LJQANCHMSA-N 2 0 339.474 3.278 10 0 EGAERP CCCCc1cn(C2CC[NH+](C3CC[NH+](C(C)C)CC3)CC2)nn1 ZINC000048159234 454449734 /nfs/dbraw/zinc/44/97/34/454449734.db2.gz UPFMKGXVAMZYGM-UHFFFAOYSA-N 2 0 333.524 3.130 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000104136956 454575169 /nfs/dbraw/zinc/57/51/69/454575169.db2.gz RCDSAGATYQRNEA-HXUWFJFHSA-N 2 0 343.515 3.163 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCC(CCC[NH+](C)C)CC1)c1ccccc1 ZINC000123609948 454657423 /nfs/dbraw/zinc/65/74/23/454657423.db2.gz DGNLURGSJCAYBP-MSOLQXFVSA-N 2 0 345.531 3.306 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCc3ccccc32)(N2CCCCC2)CC1 ZINC000124652855 454756516 /nfs/dbraw/zinc/75/65/16/454756516.db2.gz MOHGYQZRGUKOFJ-HXUWFJFHSA-N 2 0 327.516 3.214 10 0 EGAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(c2nc(C(F)(F)F)c[nH]2)CC1 ZINC000163138565 454825996 /nfs/dbraw/zinc/82/59/96/454825996.db2.gz CXJVQFQRAOXMEG-ZDUSSCGKSA-N 2 0 330.398 3.092 10 0 EGAERP C[C@H](CN[C@H](C)c1ccc(-n2cncn2)cc1Cl)C[NH+]1CCCC1 ZINC000165316290 454898111 /nfs/dbraw/zinc/89/81/11/454898111.db2.gz GPMGDHZWZCUGGT-HUUCEWRRSA-N 2 0 347.894 3.303 10 0 EGAERP CC[C@H]([NH2+]CCCC[NH+]1CCN(CC)CC1)c1cccc(OC)c1 ZINC000154463188 454899074 /nfs/dbraw/zinc/89/90/74/454899074.db2.gz ICRDECGIAXJRPJ-FQEVSTJZSA-N 2 0 333.520 3.154 10 0 EGAERP Clc1ccc(-c2noc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000246408261 455485039 /nfs/dbraw/zinc/48/50/39/455485039.db2.gz MGLXXVRZJYBDAK-CVEARBPZSA-N 2 0 346.862 3.149 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccoc1 ZINC000177884867 454916105 /nfs/dbraw/zinc/91/61/05/454916105.db2.gz QHUMYWBDDOBKHX-OXJNMPFZSA-N 2 0 328.456 3.376 10 0 EGAERP C[NH2+][C@H]1CCN(c2cc[nH+]c(NC34CC5CC(CC(C5)C3)C4)c2)C1 ZINC000114700099 454969405 /nfs/dbraw/zinc/96/94/05/454969405.db2.gz ZSNJJRDOZANNPT-FAKMSMKASA-N 2 0 326.488 3.260 10 0 EGAERP FC(F)(F)c1cccc([C@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178976140 454994753 /nfs/dbraw/zinc/99/47/53/454994753.db2.gz YTGQMZLDEKUANN-MRXNPFEDSA-N 2 0 328.378 3.078 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(O)cc2)CC1 ZINC000151852236 455039956 /nfs/dbraw/zinc/03/99/56/455039956.db2.gz IIZAFKFYQAZLIT-UHFFFAOYSA-N 2 0 339.483 3.214 10 0 EGAERP COc1cc(C[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)ccc1O ZINC000180125660 455136445 /nfs/dbraw/zinc/13/64/45/455136445.db2.gz ZAQBOOCWFQWCTA-IBGZPJMESA-N 2 0 340.467 3.055 10 0 EGAERP O[C@H](C[NH2+]CC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180215415 455148993 /nfs/dbraw/zinc/14/89/93/455148993.db2.gz FPNXLQQWMZIYCZ-OAQYLSRUSA-N 2 0 338.495 3.255 10 0 EGAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245669388 455351768 /nfs/dbraw/zinc/35/17/68/455351768.db2.gz HFORQWFBEHVEQY-WHZJULEDSA-N 2 0 328.500 3.323 10 0 EGAERP c1cn(CCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3Cc3ccccc3)C2)cn1 ZINC000245867465 455388656 /nfs/dbraw/zinc/38/86/56/455388656.db2.gz QNJJPASSZBUQEM-LEWJYISDSA-N 2 0 338.499 3.260 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@@H]2C)cc1 ZINC000265915161 455405300 /nfs/dbraw/zinc/40/53/00/455405300.db2.gz AIZMXXWMOPMUPJ-PXNSSMCTSA-N 2 0 345.531 3.331 10 0 EGAERP COCCCOc1cccc(C[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C)C2)c1 ZINC000246101997 455426610 /nfs/dbraw/zinc/42/66/10/455426610.db2.gz JHCRLOLHKKPRDM-UYAOXDASSA-N 2 0 332.488 3.018 10 0 EGAERP C[C@H](C[NH2+]C1CC[NH+]([C@@H]2CCCC[C@@H]2O)CC1)Cc1ccccc1 ZINC000182068409 455428938 /nfs/dbraw/zinc/42/89/38/455428938.db2.gz QBIGUAHQWJDYHH-WMQCIHAUSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)Cc1ccccc1 ZINC000182078678 455431025 /nfs/dbraw/zinc/43/10/25/455431025.db2.gz GAVSYVMRISSZNU-AVRDEDQJSA-N 2 0 338.495 3.222 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191139507 455450421 /nfs/dbraw/zinc/45/04/21/455450421.db2.gz FQPAGFQCHQAEBS-OWCLPIDISA-N 2 0 336.524 3.096 10 0 EGAERP CCC(C)(C)NC(=O)CN(C)[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187082 455569974 /nfs/dbraw/zinc/56/99/74/455569974.db2.gz VEADDVYTQXEGII-PKOBYXMFSA-N 2 0 345.531 3.276 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268977228 455751727 /nfs/dbraw/zinc/75/17/27/455751727.db2.gz NQYFLUJRQCPJPG-UYAOXDASSA-N 2 0 330.516 3.429 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000250103287 455784968 /nfs/dbraw/zinc/78/49/68/455784968.db2.gz RTHZYOGYCFTYBW-SLFFLAALSA-N 2 0 328.500 3.039 10 0 EGAERP C[NH2+]C(C)(C)CNC(=O)Nc1cccc(CC[NH+]2CCC(C)CC2)c1 ZINC000272084561 455842453 /nfs/dbraw/zinc/84/24/53/455842453.db2.gz WUQQCIXZVTZDKW-UHFFFAOYSA-N 2 0 346.519 3.081 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588091 455876019 /nfs/dbraw/zinc/87/60/19/455876019.db2.gz JCQKQQNZVPTQLI-GHTZIAJQSA-N 2 0 339.483 3.305 10 0 EGAERP CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000261862525 455960633 /nfs/dbraw/zinc/96/06/33/455960633.db2.gz WZYZBPQLYIOPSA-RSPOEFSDSA-N 2 0 343.515 3.045 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]CCN2CCc3c(Cl)cccc3C2)CC1 ZINC000187999387 455978055 /nfs/dbraw/zinc/97/80/55/455978055.db2.gz RFYZRLBTHFWKMT-UHFFFAOYSA-N 2 0 335.923 3.161 10 0 EGAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)CC1CC[NH+](C)CC1 ZINC000273182419 456205738 /nfs/dbraw/zinc/20/57/38/456205738.db2.gz GQQWUEVCEGLOPL-UHFFFAOYSA-N 2 0 345.531 3.089 10 0 EGAERP CCN(C(=O)c1ccc(C[NH3+])o1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237047737 456225070 /nfs/dbraw/zinc/22/50/70/456225070.db2.gz KKELGEQTHKQHAZ-RDJZCZTQSA-N 2 0 341.455 3.036 10 0 EGAERP Cc1ccc2[nH+]ccc(NC[C@H](C(C)C)[NH+]3CCN(C)CC3)c2c1 ZINC000302140441 456297711 /nfs/dbraw/zinc/29/77/11/456297711.db2.gz DPBARNIJFWJBMH-HXUWFJFHSA-N 2 0 326.488 3.227 10 0 EGAERP Cc1ccc2[nH+]ccc(NCc3ccnc(OCC[NH+](C)C)c3)c2c1 ZINC000302241148 456327686 /nfs/dbraw/zinc/32/76/86/456327686.db2.gz XTUNDEPLIBSRKV-UHFFFAOYSA-N 2 0 336.439 3.491 10 0 EGAERP OC1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCC(F)(F)CC1 ZINC000657777887 462262746 /nfs/dbraw/zinc/26/27/46/462262746.db2.gz DTCVOUXIGTVMJE-UHFFFAOYSA-N 2 0 330.463 3.314 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+]([C@@H]3C[C@@H]3c3ccccc3)CC2)CC1 ZINC000291271334 456584937 /nfs/dbraw/zinc/58/49/37/456584937.db2.gz XZNQJXVLYJQNBI-NHCUHLMSSA-N 2 0 327.516 3.033 10 0 EGAERP CCOC1CC([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)C1 ZINC000658320043 462476392 /nfs/dbraw/zinc/47/63/92/462476392.db2.gz MQWBWCTVMOXFTC-HDYDNRTBSA-N 2 0 328.500 3.446 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(-c3cnn(C)c3)s2)[C@@H](C)C1 ZINC000282715422 456600276 /nfs/dbraw/zinc/60/02/76/456600276.db2.gz BSJDRGJZXMFDOC-YOEHRIQHSA-N 2 0 332.517 3.311 10 0 EGAERP CC[C@H](C)NC(=O)c1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353401054 456676390 /nfs/dbraw/zinc/67/63/90/456676390.db2.gz HFUCRYSNPVNFFO-OBZTUIKSSA-N 2 0 343.515 3.177 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)c(O[C@H]2CCOC2)c1 ZINC000353407929 456682049 /nfs/dbraw/zinc/68/20/49/456682049.db2.gz SWSXFOCCOWAVFY-VNTMZGSJSA-N 2 0 344.499 3.125 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C)[C@H](c1ccccc1)N(C)C ZINC000349601168 456994149 /nfs/dbraw/zinc/99/41/49/456994149.db2.gz RQPMAWCZUXDQFI-DYESRHJHSA-N 2 0 349.482 3.357 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCc2nc3ccccc3n2C)CC1 ZINC000346645316 457089852 /nfs/dbraw/zinc/08/98/52/457089852.db2.gz PMZCPSIGMRIAEM-UHFFFAOYSA-N 2 0 328.504 3.170 10 0 EGAERP CC[C@@H]1C[C@@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356954505 457240867 /nfs/dbraw/zinc/24/08/67/457240867.db2.gz DEBCJKYHHNOZFE-VQTJNVASSA-N 2 0 338.536 3.016 10 0 EGAERP C[C@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000363451206 457333374 /nfs/dbraw/zinc/33/33/74/457333374.db2.gz SVRJPQBSGVJXJH-OAHLLOKOSA-N 2 0 328.460 3.461 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397603717 457489516 /nfs/dbraw/zinc/48/95/16/457489516.db2.gz OXGKSSJYZRGOFQ-QGZVFWFLSA-N 2 0 328.456 3.266 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@@H](C)[C@@H]2CC[NH2+]C2)cc1Br ZINC000400345715 457513768 /nfs/dbraw/zinc/51/37/68/457513768.db2.gz HDFHSWXZNMKQKW-GMXVVIOVSA-N 2 0 327.266 3.106 10 0 EGAERP CS[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000425355851 457515552 /nfs/dbraw/zinc/51/55/52/457515552.db2.gz LRXQWKKFTGAAGX-WOJBJXKFSA-N 2 0 347.572 3.381 10 0 EGAERP CC[N@H+](CCC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1)CC1CC1 ZINC000425461305 457563617 /nfs/dbraw/zinc/56/36/17/457563617.db2.gz RXHJWSHDYNIGGV-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cccc21 ZINC000357509448 457570563 /nfs/dbraw/zinc/57/05/63/457570563.db2.gz BRIPIKQXCFJVDZ-QAPCUYQASA-N 2 0 345.487 3.275 10 0 EGAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@H]2[C@@H](CCC[NH+]2C2CC2)C1 ZINC000370883416 457732543 /nfs/dbraw/zinc/73/25/43/457732543.db2.gz KAHHOTQEBGFCPE-RYGJVYDSSA-N 2 0 332.463 3.116 10 0 EGAERP CN1CC[C@H]([NH2+]CCC(=O)NCC2CCCCC2)[C@H]1c1ccccc1 ZINC000411701731 457954516 /nfs/dbraw/zinc/95/45/16/457954516.db2.gz YHVFOQNOSUMKTI-PZJWPPBQSA-N 2 0 343.515 3.108 10 0 EGAERP CCC[C@]1(COC)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000447057379 458258166 /nfs/dbraw/zinc/25/81/66/458258166.db2.gz CRWFYXGYWGWCBZ-LJQANCHMSA-N 2 0 328.460 3.357 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)c2ccc(OCC[NH+](C)C)cc2)C1 ZINC000436292426 458284119 /nfs/dbraw/zinc/28/41/19/458284119.db2.gz NDDNUTCFMZGHIW-NXHRZFHOSA-N 2 0 348.487 3.009 10 0 EGAERP Fc1ccc([C@H]([NH2+]CC2CC[NH+](C3CC3)CC2)c2cnccn2)cc1 ZINC000447566748 458312641 /nfs/dbraw/zinc/31/26/41/458312641.db2.gz WDWZYJKJWVOMAV-FQEVSTJZSA-N 2 0 340.446 3.169 10 0 EGAERP CC(C)Oc1ccc([C@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000376825339 458397854 /nfs/dbraw/zinc/39/78/54/458397854.db2.gz CWZDSQLGTHGAAG-QYYYHEGRSA-N 2 0 345.531 3.291 10 0 EGAERP F[C@]1(c2ccccc2)C[C@@H]1[NH2+]C1CCN(Cc2ccccn2)CC1 ZINC000424199248 458583145 /nfs/dbraw/zinc/58/31/45/458583145.db2.gz QIFJQGFEHLIFPM-PMACEKPBSA-N 2 0 325.431 3.273 10 0 EGAERP CCc1ccc([C@H](CNC(=O)CC[C@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000431556763 458588073 /nfs/dbraw/zinc/58/80/73/458588073.db2.gz MFKIOPAAFROJHQ-UXHICEINSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)C1 ZINC000431749546 458616333 /nfs/dbraw/zinc/61/63/33/458616333.db2.gz LDGJAFHFFLSFKV-KURKYZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC[NH+](C[C@@H]2CCCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000431771343 458620431 /nfs/dbraw/zinc/62/04/31/458620431.db2.gz NSKYOSFMFIUICM-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cc(C[NH3+])cc(NC(=O)N[C@H]2CC[N@@H+](C)[C@@H]2c2ccccc2)c1 ZINC000424427988 458641445 /nfs/dbraw/zinc/64/14/45/458641445.db2.gz RAVUDYFNDANJCC-RBUKOAKNSA-N 2 0 338.455 3.021 10 0 EGAERP C[C@@H](N[C@@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@@H]1CCC[NH2+]1 ZINC000530224831 458723556 /nfs/dbraw/zinc/72/35/56/458723556.db2.gz MNQCZWQTLSJSKO-RLCCDNCMSA-N 2 0 330.303 3.326 10 0 EGAERP CC(C)COc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530249735 458730603 /nfs/dbraw/zinc/73/06/03/458730603.db2.gz YIEKEGWLJLFUJN-OAQYLSRUSA-N 2 0 346.515 3.312 10 0 EGAERP CCCOc1ccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247961 458730819 /nfs/dbraw/zinc/73/08/19/458730819.db2.gz FJPXBEHRHMUGJK-HXUWFJFHSA-N 2 0 332.488 3.066 10 0 EGAERP CC1CC[NH+](Cc2ccc(C[NH2+][C@@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000494881395 458759994 /nfs/dbraw/zinc/75/99/94/458759994.db2.gz WAOFHTUITFJZND-LJQANCHMSA-N 2 0 343.515 3.065 10 0 EGAERP CSc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)[NH+](C)C)cc1 ZINC000556259935 458943540 /nfs/dbraw/zinc/94/35/40/458943540.db2.gz GBAHJJBTJNWRLH-YRPNKDGESA-N 2 0 347.572 3.474 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)CCC2 ZINC000594504907 459066135 /nfs/dbraw/zinc/06/61/35/459066135.db2.gz OBMXBLUBMOGXQP-GOSISDBHSA-N 2 0 330.472 3.172 10 0 EGAERP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)OCCc2ccccc21 ZINC000558509294 459169558 /nfs/dbraw/zinc/16/95/58/459169558.db2.gz MDOOFCKBFUQOJI-FYZZASKESA-N 2 0 328.500 3.327 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650975 459237597 /nfs/dbraw/zinc/23/75/97/459237597.db2.gz VHAFCACMMWQJAJ-MISYRCLQSA-N 2 0 327.516 3.256 10 0 EGAERP Cc1nn(C)c(C)c1CCC[NH2+]C1CC[NH+](C2CCCCC2)CC1 ZINC000561156698 459426116 /nfs/dbraw/zinc/42/61/16/459426116.db2.gz CYKKFCQWPINJPU-UHFFFAOYSA-N 2 0 332.536 3.356 10 0 EGAERP O[C@H](CC1CCCC1)C[NH+]1CCN(c2cc[nH+]c3ccccc32)CC1 ZINC000583779504 459594230 /nfs/dbraw/zinc/59/42/30/459594230.db2.gz XMTRDAAAAMZAOG-GOSISDBHSA-N 2 0 339.483 3.298 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000562744400 459638998 /nfs/dbraw/zinc/63/89/98/459638998.db2.gz GYWIWXSGXJZTCH-YJBOKZPZSA-N 2 0 339.487 3.148 10 0 EGAERP CCCc1cc(NC2CCN(CC[NH+](C)C)CC2)c2ccccc2[nH+]1 ZINC000573549171 459695013 /nfs/dbraw/zinc/69/50/13/459695013.db2.gz RLJASPSHAZRIJM-UHFFFAOYSA-N 2 0 340.515 3.047 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NCCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000563119634 459717848 /nfs/dbraw/zinc/71/78/48/459717848.db2.gz AMGKDAMDMXAHDR-FQEVSTJZSA-N 2 0 327.516 3.259 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000527987452 459788973 /nfs/dbraw/zinc/78/89/73/459788973.db2.gz NAYNUWILTHTWJN-QFBILLFUSA-N 2 0 331.504 3.265 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1NC(C)=O ZINC000528008408 459795205 /nfs/dbraw/zinc/79/52/05/459795205.db2.gz DNGMTLHZSQZKOC-KSSFIOAISA-N 2 0 345.487 3.321 10 0 EGAERP COC(=O)c1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1Cl ZINC000597060169 459828397 /nfs/dbraw/zinc/82/83/97/459828397.db2.gz QHJOSIWIUZLYAR-GOOCMWNKSA-N 2 0 336.863 3.232 10 0 EGAERP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)[C@H]1CCN(C)[C@@H](C)C1 ZINC000574529934 459830696 /nfs/dbraw/zinc/83/06/96/459830696.db2.gz NTNBYWSOGXJPKQ-RDJZCZTQSA-N 2 0 345.487 3.022 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)Nc1cc(C[NH3+])cc(C(F)(F)F)c1 ZINC000574571182 459835474 /nfs/dbraw/zinc/83/54/74/459835474.db2.gz IGHVEQKRGRKBRD-OAHLLOKOSA-N 2 0 343.393 3.367 10 0 EGAERP CCn1nccc1CC[N@@H+]1CCCC[C@@H]1[C@@H](C[NH3+])Cc1ccccc1 ZINC000621775032 460059539 /nfs/dbraw/zinc/05/95/39/460059539.db2.gz DBSYJIUFRWQURE-TZIWHRDSSA-N 2 0 340.515 3.118 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CCOC2CCOCC2)CC1)CC1CC1 ZINC000625289925 460109094 /nfs/dbraw/zinc/10/90/94/460109094.db2.gz UFIXVKMDMNIAOM-UHFFFAOYSA-N 2 0 338.536 3.016 10 0 EGAERP CCOC(=O)C(C)(C)CCC[C@H](C)[NH2+]C[C@H]1CCCC[N@H+](C)C1 ZINC000599070615 460151083 /nfs/dbraw/zinc/15/10/83/460151083.db2.gz MAWFCQVDZOBRJQ-DLBZAZTESA-N 2 0 326.525 3.456 10 0 EGAERP CCC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631565730 460445864 /nfs/dbraw/zinc/44/58/64/460445864.db2.gz LGHZNSIKVFPJKY-ICSRJNTNSA-N 2 0 332.536 3.093 10 0 EGAERP CCOc1cc2c(cc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1)O[C@H](C)C2 ZINC000623342477 460499676 /nfs/dbraw/zinc/49/96/76/460499676.db2.gz BPFWKMMZCZFMSJ-RHSMWYFYSA-N 2 0 332.488 3.371 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCCc3scnc32)(N2CCCCC2)CC1 ZINC000623899434 460767355 /nfs/dbraw/zinc/76/73/55/460767355.db2.gz IYJINCRSYYPQPM-INIZCTEOSA-N 2 0 348.560 3.060 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC/C=C\c1ccc(Br)cc1 ZINC000629513404 460788732 /nfs/dbraw/zinc/78/87/32/460788732.db2.gz IKAAUDJCHFFVEE-ASKPUQFJSA-N 2 0 341.293 3.196 10 0 EGAERP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2c2cccc(C(F)(F)F)c2)CCOCC1 ZINC000629522340 460793797 /nfs/dbraw/zinc/79/37/97/460793797.db2.gz ZZLILFYXVPLJBW-CVEARBPZSA-N 2 0 342.405 3.439 10 0 EGAERP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c(F)cc1Br ZINC000629531643 460797669 /nfs/dbraw/zinc/79/76/69/460797669.db2.gz SPYBTMNLGWIQLS-CKYFFXLPSA-N 2 0 345.231 3.205 10 0 EGAERP Cc1nc(Cc2ccccc2)sc1[C@H](C)[NH2+]CCOCCC[NH3+] ZINC000629535727 460798505 /nfs/dbraw/zinc/79/85/05/460798505.db2.gz FDVOHZQINIUCMU-AWEZNQCLSA-N 2 0 333.501 3.058 10 0 EGAERP COc1ccccc1-c1ccc([C@H](C)[NH2+]CCOCCC[NH3+])cc1 ZINC000629541940 460800688 /nfs/dbraw/zinc/80/06/88/460800688.db2.gz UOTCTQXAEHKXFI-INIZCTEOSA-N 2 0 328.456 3.378 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+](CC)C(C)C)cc1)[C@H]1CC[N@H+](C)C1 ZINC000617556816 460908491 /nfs/dbraw/zinc/90/84/91/460908491.db2.gz YJFIHBUKDCBERJ-IBGZPJMESA-N 2 0 331.504 3.083 10 0 EGAERP C[N@@H+]1CCC[C@H](N2CC[NH+](CCCCc3cccc(Cl)c3)CC2)C1 ZINC000621266861 460967818 /nfs/dbraw/zinc/96/78/18/460967818.db2.gz CRTNNBFXNVIXJR-FQEVSTJZSA-N 2 0 349.950 3.375 10 0 EGAERP CCCCCNC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000630007981 460995139 /nfs/dbraw/zinc/99/51/39/460995139.db2.gz SUOXXCOFLZTCNR-GOSISDBHSA-N 2 0 345.531 3.457 10 0 EGAERP CC(C)[N@H+](C)CC(=O)Nc1nc2ccc(C[NH+](C)C3CC3)cc2s1 ZINC000617866141 461007973 /nfs/dbraw/zinc/00/79/73/461007973.db2.gz ALYYAOIJEZFDFW-UHFFFAOYSA-N 2 0 346.500 3.169 10 0 EGAERP c1ccc2c(c1)CN(c1ccnc(NC[C@@H]3CC[N@@H+]3C3CCCC3)n1)C2 ZINC000624639772 461077657 /nfs/dbraw/zinc/07/76/57/461077657.db2.gz ZAUFCXSKYHFJKU-IBGZPJMESA-N 2 0 349.482 3.426 10 0 EGAERP Fc1ccc(CC[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)cc1 ZINC000662257781 461148524 /nfs/dbraw/zinc/14/85/24/461148524.db2.gz GKAVMPAUODOLCY-IBGZPJMESA-N 2 0 332.463 3.134 10 0 EGAERP Cc1ccc(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)cc1C ZINC000652361376 461154189 /nfs/dbraw/zinc/15/41/89/461154189.db2.gz FYCDJVLUXNUCFU-TYPHKJRUSA-N 2 0 346.515 3.433 10 0 EGAERP C[C@H](C(=O)Nc1cccc(Cl)c1)[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000662293666 461169364 /nfs/dbraw/zinc/16/93/64/461169364.db2.gz HNVXQROFHNJKKQ-ZBFHGGJFSA-N 2 0 349.906 3.379 10 0 EGAERP c1ccc(CCOCCC[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294198 461173401 /nfs/dbraw/zinc/17/34/01/461173401.db2.gz BXAVKBUOHNAYPH-OAQYLSRUSA-N 2 0 330.516 3.347 10 0 EGAERP Cc1ccc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1F ZINC000662299048 461177358 /nfs/dbraw/zinc/17/73/58/461177358.db2.gz ZIMPTFGUOUHPIR-WBVHZDCISA-N 2 0 347.478 3.173 10 0 EGAERP Cc1cccc(C)c1OCCC[N@@H+]1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000662321269 461189885 /nfs/dbraw/zinc/18/98/85/461189885.db2.gz QLIADWFJVABMTH-IBGZPJMESA-N 2 0 334.504 3.115 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662450772 461246858 /nfs/dbraw/zinc/24/68/58/461246858.db2.gz VXWRETXNUBLCRY-GPMSIDNRSA-N 2 0 343.515 3.058 10 0 EGAERP C[NH+](C)CC[C@@H](NC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C(C)(C)C ZINC000659292432 461278628 /nfs/dbraw/zinc/27/86/28/461278628.db2.gz PKDCYIYOUXTVGB-IEBWSBKVSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000655710677 461381177 /nfs/dbraw/zinc/38/11/77/461381177.db2.gz CDPDQKWQINUYLS-YJBOKZPZSA-N 2 0 334.529 3.017 10 0 EGAERP Cn1ccnc1-c1cccc(NC(=O)NC[C@H]2CC[N@@H+]2C(C)(C)C)c1 ZINC000665975119 461384434 /nfs/dbraw/zinc/38/44/34/461384434.db2.gz FGSDGHMDAJXZQZ-MRXNPFEDSA-N 2 0 341.459 3.081 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CCc3ccccc3[C@H](C)C2)CC1 ZINC000649835443 461390704 /nfs/dbraw/zinc/39/07/04/461390704.db2.gz JEPSIBVDHHRKKC-LJQANCHMSA-N 2 0 329.532 3.064 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@@H]32)C1 ZINC000655802522 461464154 /nfs/dbraw/zinc/46/41/54/461464154.db2.gz FEDQZGWKSCBIER-PVIWCNJMSA-N 3 0 341.543 3.359 10 0 EGAERP COc1cc(OC)c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655805660 461465204 /nfs/dbraw/zinc/46/52/04/461465204.db2.gz JWMSWOKWZOLCCT-RWMBFGLXSA-N 2 0 326.868 3.348 10 0 EGAERP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cnn1-c1ccc(F)cc1 ZINC000655805307 461466444 /nfs/dbraw/zinc/46/64/44/461466444.db2.gz FUKHBFAOZTUOJP-DHSIGJKJSA-N 2 0 330.451 3.311 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(OCC(F)(F)F)c(F)c2)C1 ZINC000655826053 461480662 /nfs/dbraw/zinc/48/06/62/461480662.db2.gz FCXQHCHBZOYOFD-BETUJISGSA-N 2 0 334.357 3.197 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631038726 461491472 /nfs/dbraw/zinc/49/14/72/461491472.db2.gz IRVQUAPYTIMFKV-UHFFFAOYSA-N 2 0 335.879 3.202 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCCC[N@@H+]2CCCc2c(F)cccc2F)C1 ZINC000655941819 461546970 /nfs/dbraw/zinc/54/69/70/461546970.db2.gz DGXPIBPCUKSPJP-ZMYBRWDISA-N 2 0 338.442 3.258 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1oc2ccccc2c1Cl ZINC000631113757 461562089 /nfs/dbraw/zinc/56/20/89/461562089.db2.gz LESXFPDEEOEQRQ-AWEZNQCLSA-N 2 0 335.879 3.202 10 0 EGAERP Cn1cnc(CCC[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)n1 ZINC000647327596 461635402 /nfs/dbraw/zinc/63/54/02/461635402.db2.gz COFZOOJNVQSVMZ-UHFFFAOYSA-N 2 0 335.540 3.017 10 0 EGAERP C[C@@H]1C[C@@H](C[N@@H+]2CCOc3cccc(Br)c3C2)CC[NH2+]1 ZINC000656194029 461641401 /nfs/dbraw/zinc/64/14/01/461641401.db2.gz BVVOLAVJDOSLBO-OLZOCXBDSA-N 2 0 339.277 3.032 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@@H]4CCO4)[C@H]3C2)cc1 ZINC000639036498 461683821 /nfs/dbraw/zinc/68/38/21/461683821.db2.gz ANOKPHYDRKBVKC-WOZUAGRISA-N 2 0 328.500 3.446 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2cccnc2)cc1 ZINC000656403179 461734316 /nfs/dbraw/zinc/73/43/16/461734316.db2.gz AGWDTMTYGQQVAH-AFXVXQJMSA-N 2 0 347.506 3.467 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647542878 461757558 /nfs/dbraw/zinc/75/75/58/461757558.db2.gz DHFSOZBDVJGEHN-IAGOWNOFSA-N 2 0 342.512 3.417 10 0 EGAERP Clc1ccc2c(c1Cl)OC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000647789776 461835597 /nfs/dbraw/zinc/83/55/97/461835597.db2.gz LGRZXXQIKZVBLN-OXIWPEFWSA-N 2 0 327.255 3.405 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000647791819 461836928 /nfs/dbraw/zinc/83/69/28/461836928.db2.gz NOPOJSVZLZLKIM-HLLBOEOZSA-N 2 0 329.419 3.001 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647800434 461843576 /nfs/dbraw/zinc/84/35/76/461843576.db2.gz BAFLQUFBFDALMM-XJKSGUPXSA-N 2 0 343.496 3.443 10 0 EGAERP COc1cc2c(c(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)c1)O[C@@H](C)C2 ZINC000656785504 461895614 /nfs/dbraw/zinc/89/56/14/461895614.db2.gz KXKNDZXSGJXQRL-RDJZCZTQSA-N 2 0 344.499 3.230 10 0 EGAERP Fc1ccc(-c2n[nH]cc2C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656786635 461898613 /nfs/dbraw/zinc/89/86/13/461898613.db2.gz VGNAXUDZCAHLGX-KRWDZBQOSA-N 2 0 342.462 3.427 10 0 EGAERP Cc1nn(-c2ccc(Cl)cc2)c(C)c1C[NH2+]CCC1(C[NH3+])CC1 ZINC000650713018 461906921 /nfs/dbraw/zinc/90/69/21/461906921.db2.gz BUMPIYQDSBYLOP-UHFFFAOYSA-N 2 0 332.879 3.361 10 0 EGAERP COc1c(C)cc(C[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)cc1C ZINC000650722808 461915081 /nfs/dbraw/zinc/91/50/81/461915081.db2.gz BRBPUTJLEBORIV-QRVBRYPASA-N 2 0 332.488 3.173 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000650745549 461929469 /nfs/dbraw/zinc/92/94/69/461929469.db2.gz JFCYGZAJMSSGAA-AWEZNQCLSA-N 2 0 339.277 3.381 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764044 461941948 /nfs/dbraw/zinc/94/19/48/461941948.db2.gz PCNOTMJCPZAKGK-GFCCVEGCSA-N 2 0 343.284 3.499 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532042 461974014 /nfs/dbraw/zinc/97/40/14/461974014.db2.gz VKMBKODROPETNL-RBUKOAKNSA-N 2 0 348.531 3.260 10 0 EGAERP Cc1ccccc1[C@H]1C[C@H]([NH2+]C[C@@H](O)CN(C)Cc2ccccc2)C1 ZINC000644638850 462019380 /nfs/dbraw/zinc/01/93/80/462019380.db2.gz DIYIEEUAUCPYEH-NJDAHSKKSA-N 2 0 338.495 3.324 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+]Cc2cnn3c2CCC3)cc1 ZINC000657311159 462036416 /nfs/dbraw/zinc/03/64/16/462036416.db2.gz XOZYJLXBLJNNPC-QGZVFWFLSA-N 2 0 338.499 3.494 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657332808 462053271 /nfs/dbraw/zinc/05/32/71/462053271.db2.gz QDCWEGXFQNOQJL-UHFFFAOYSA-N 3 0 349.482 3.397 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657348220 462062261 /nfs/dbraw/zinc/06/22/61/462062261.db2.gz OLBTXCMLZYADCZ-GOSISDBHSA-N 2 0 327.476 3.012 10 0 EGAERP Cc1ccc2cc(C[NH2+]CCCC[N@@H+]3C[C@@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000657368461 462075876 /nfs/dbraw/zinc/07/58/76/462075876.db2.gz WWTBQNOZANCBEM-CALCHBBNSA-N 2 0 329.488 3.455 10 0 EGAERP c1cc(C[NH2+]C2CC(OCc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657435104 462121130 /nfs/dbraw/zinc/12/11/30/462121130.db2.gz COPUGHFTJHTWMY-UHFFFAOYSA-N 2 0 334.423 3.105 10 0 EGAERP c1cc(C[NH2+]C[C@H]2CC[C@@H](c3ccccc3)O2)n(-c2cc[nH+]cc2)n1 ZINC000657470812 462143665 /nfs/dbraw/zinc/14/36/65/462143665.db2.gz LKGACTCCGIFVDL-UXHICEINSA-N 2 0 334.423 3.277 10 0 EGAERP C[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000657534810 462170743 /nfs/dbraw/zinc/17/07/43/462170743.db2.gz DFRLPLHDBJNBMK-MRXNPFEDSA-N 2 0 334.479 3.410 10 0 EGAERP C[C@@H]1C[C@H]1c1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)o1 ZINC000657536902 462171607 /nfs/dbraw/zinc/17/16/07/462171607.db2.gz TYCYKNUZNMFBFP-DNVCBOLYSA-N 2 0 332.488 3.384 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCC[C@@H]([C@H]2CCC[NH2+]2)C1)CC1CCCCC1 ZINC000645106830 462181178 /nfs/dbraw/zinc/18/11/78/462181178.db2.gz JPYQVGKXCUFJPX-GUDVDZBRSA-N 2 0 335.536 3.055 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3)cc2)C1 ZINC000657594712 462197083 /nfs/dbraw/zinc/19/70/83/462197083.db2.gz SKZSGPVUVLREDM-IBGZPJMESA-N 2 0 330.859 3.196 10 0 EGAERP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000667664419 462198121 /nfs/dbraw/zinc/19/81/21/462198121.db2.gz KWOZQXVFDWGTFO-GUDVDZBRSA-N 2 0 340.471 3.293 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2)C1 ZINC000657597270 462199585 /nfs/dbraw/zinc/19/95/85/462199585.db2.gz RXNVRJFVVRMEJD-QFIPXVFZSA-N 2 0 347.462 3.091 10 0 EGAERP c1cc(C[N@@H+](CCc2ccccc2)[C@@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000667696257 462219911 /nfs/dbraw/zinc/21/99/11/462219911.db2.gz PGPOVSNGXKFPRN-OAQYLSRUSA-N 2 0 348.450 3.101 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H]2CO[C@@H](C3CC3)C2)cc1 ZINC000667788973 462262729 /nfs/dbraw/zinc/26/27/29/462262729.db2.gz AQOOUYYNJPUBIV-UYAOXDASSA-N 2 0 332.488 3.064 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCOC2(C)C)CC1 ZINC000657784815 462264791 /nfs/dbraw/zinc/26/47/91/462264791.db2.gz FYEJMIVVFCAPPF-LJQANCHMSA-N 2 0 345.531 3.123 10 0 EGAERP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCCSCC2)[C@H](c2ccccc2)C1 ZINC000657834614 462289856 /nfs/dbraw/zinc/28/98/56/462289856.db2.gz LTPQGKFFVFRBIS-UXHICEINSA-N 2 0 347.572 3.241 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677523 462301167 /nfs/dbraw/zinc/30/11/67/462301167.db2.gz LBPUGMNOTWSAFZ-BBRMVZONSA-N 2 0 339.886 3.082 10 0 EGAERP FCC[C@@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@@H](CCF)C3)COC2)C1 ZINC000661691302 462367054 /nfs/dbraw/zinc/36/70/54/462367054.db2.gz TWYAJFLVIIOGCW-ROUUACIJSA-N 2 0 344.490 3.146 10 0 EGAERP OC[C@]1(C[NH2+]C2CC[NH+](C3CCCCC3)CC2)CCc2ccccc21 ZINC000651884247 462368446 /nfs/dbraw/zinc/36/84/46/462368446.db2.gz CBDIKXIYODNVQC-JOCHJYFZSA-N 2 0 342.527 3.250 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000665285742 462384130 /nfs/dbraw/zinc/38/41/30/462384130.db2.gz VPLOMOICLDGSJS-JXFKEZNVSA-N 2 0 343.515 3.205 10 0 EGAERP Cc1cccnc1[C@@H]1CCC[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000658109749 462389915 /nfs/dbraw/zinc/38/99/15/462389915.db2.gz WKXIHNWWFPLODJ-XUVXKRRUSA-N 2 0 346.563 3.278 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](OC2CCCC2)C(F)(F)F)[C@@H]2CCC[C@@H]21 ZINC000658124916 462394786 /nfs/dbraw/zinc/39/47/86/462394786.db2.gz RJODNOSYIREXMS-VGWMRTNUSA-N 2 0 334.426 3.339 10 0 EGAERP CO[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)COCc1ccccc1 ZINC000658130353 462396523 /nfs/dbraw/zinc/39/65/23/462396523.db2.gz OGCKGKHGUWJWAU-DOIPELPJSA-N 2 0 346.515 3.071 10 0 EGAERP CC1(C)[C@H]([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)[C@@H]2CCC[C@@H]21 ZINC000658137401 462401131 /nfs/dbraw/zinc/40/11/31/462401131.db2.gz KRSRCVSQJJVPAO-YSTOQKLRSA-N 2 0 328.500 3.168 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CCC(C(F)F)CC3)cc2)C1 ZINC000658142622 462405289 /nfs/dbraw/zinc/40/52/89/462405289.db2.gz ZEPVLZVECWGSPM-ABHNRTSZSA-N 2 0 338.442 3.167 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@]3(CC3(F)F)C2)CC1 ZINC000652063149 462422855 /nfs/dbraw/zinc/42/28/55/462422855.db2.gz FRFGXPWTECBMIN-LJQANCHMSA-N 2 0 349.469 3.450 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319436 462475245 /nfs/dbraw/zinc/47/52/45/462475245.db2.gz AVNIYSHWDUPZND-XLIONFOSSA-N 2 0 338.499 3.373 10 0 EGAERP Cc1ccc2cc(C[N@@H+](C)CC3CC[NH+](C[C@@H](C)O)CC3)ccc2n1 ZINC000187221157 534467267 /nfs/dbraw/zinc/46/72/67/534467267.db2.gz JQFVKOBHDUNCMP-QGZVFWFLSA-N 2 0 341.499 3.068 10 0 EGAERP CC(C)(C)[C@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000348061737 535097936 /nfs/dbraw/zinc/09/79/36/535097936.db2.gz JKACCUGNQDEVBL-OALUTQOASA-N 2 0 330.520 3.008 10 0 EGAERP CC[NH+](CC)Cc1ccccc1CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000236908241 535610487 /nfs/dbraw/zinc/61/04/87/535610487.db2.gz VJGNJVCLQWRMQN-VDGAXYAQSA-N 2 0 343.515 3.065 10 0 EGAERP CCC[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]23)CC1 ZINC000162197511 546963932 /nfs/dbraw/zinc/96/39/32/546963932.db2.gz WYQKFBXGFQIBAA-BAGYTPMASA-N 3 0 341.543 3.361 10 0 EGAERP CCC[NH+]1CCC(N[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)CC1 ZINC000310883084 547461182 /nfs/dbraw/zinc/46/11/82/547461182.db2.gz WYQKFBXGFQIBAA-CEMLEFRQSA-N 2 0 341.543 3.361 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)C1CC[NH+](C)CC1 ZINC000310786026 547461799 /nfs/dbraw/zinc/46/17/99/547461799.db2.gz CQOCSIZJAJVPFK-AGOPTVSRSA-N 3 0 341.543 3.217 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964247 547862327 /nfs/dbraw/zinc/86/23/27/547862327.db2.gz UMTYNSKETNCWPK-XHDPSFHLSA-N 2 0 334.261 3.085 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000671744382 548351231 /nfs/dbraw/zinc/35/12/31/548351231.db2.gz BGRUSAHBBNQZLR-MYGLTJDJSA-N 2 0 341.543 3.361 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccccc2)CCN1CC[C@@H]1CCCC[NH+]1C ZINC000675499037 548930417 /nfs/dbraw/zinc/93/04/17/548930417.db2.gz JXNANDMPIOHHBG-CTNGQTDRSA-N 2 0 329.532 3.457 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000675926497 549006058 /nfs/dbraw/zinc/00/60/58/549006058.db2.gz BPLDYMWYSJMOKC-IAGOWNOFSA-N 2 0 327.472 3.476 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000678333919 549470555 /nfs/dbraw/zinc/47/05/55/549470555.db2.gz JDXIWCWRFSJQAY-PZJWPPBQSA-N 2 0 344.499 3.162 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000678333921 549470753 /nfs/dbraw/zinc/47/07/53/549470753.db2.gz JDXIWCWRFSJQAY-TZIWHRDSSA-N 2 0 344.499 3.162 10 0 EGAERP C[C@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H]1F ZINC000679357787 549695354 /nfs/dbraw/zinc/69/53/54/549695354.db2.gz BCWRAGUAVCAGGF-QFBILLFUSA-N 2 0 333.495 3.397 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@](C)(O)C2CCCCC2)cc1 ZINC000682951130 550167843 /nfs/dbraw/zinc/16/78/43/550167843.db2.gz YZPKSFFIOJYKKC-HXUWFJFHSA-N 2 0 334.504 3.048 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000728571363 574759109 /nfs/dbraw/zinc/75/91/09/574759109.db2.gz CCSZZQDDJCEINT-SFHVURJKSA-N 2 0 326.431 3.050 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000872035794 1296683727 /nfs/dbraw/zinc/68/37/27/1296683727.db2.gz NJTXJVVIUVEZFJ-PZJWPPBQSA-N 2 0 346.515 3.456 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000872035792 1296684285 /nfs/dbraw/zinc/68/42/85/1296684285.db2.gz NJTXJVVIUVEZFJ-FPOVZHCZSA-N 2 0 346.515 3.456 10 0 EGAERP CC[C@@H](CCC(F)(F)F)[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1 ZINC000872060104 1296706836 /nfs/dbraw/zinc/70/68/36/1296706836.db2.gz MCXPOSWTGIZILK-IRXDYDNUSA-N 2 0 344.421 3.464 10 0 EGAERP COc1cc2c(cc1OC)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCCC2 ZINC000872084184 1296723785 /nfs/dbraw/zinc/72/37/85/1296723785.db2.gz QIYJEWZJQSTTLS-UWWQBHOKSA-N 2 0 332.488 3.401 10 0 EGAERP C[N@H+](CCCCCC[NH3+])Cc1csc(-c2ccc3c(c2)OCO3)n1 ZINC000872155326 1296773304 /nfs/dbraw/zinc/77/33/04/1296773304.db2.gz IGUHIBNPQDKVBM-UHFFFAOYSA-N 2 0 347.484 3.490 10 0 EGAERP COc1ccnc(C[N@@H+]2CCC[C@@H](C[C@@H]([NH3+])C3CCCC3)C2)c1OC ZINC000872158769 1296778722 /nfs/dbraw/zinc/77/87/22/1296778722.db2.gz XQPQLSOHAGFCNE-DOTOQJQBSA-N 2 0 347.503 3.218 10 0 EGAERP c1ccc(NC2CC([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000873295202 1297417476 /nfs/dbraw/zinc/41/74/76/1297417476.db2.gz BSLFETFYGPHITM-VEDXQQSGSA-N 2 0 349.478 3.475 10 0 EGAERP CC[NH+]1CCC([NH2+]C[C@]2(CC)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000380082779 1297542135 /nfs/dbraw/zinc/54/21/35/1297542135.db2.gz FAWYSJDTIZDYIO-IBGZPJMESA-N 2 0 339.524 3.240 10 0 EGAERP C[C@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccc(O)cc1 ZINC000397501374 1297700788 /nfs/dbraw/zinc/70/07/88/1297700788.db2.gz AIXFDLOWBYKGMI-KRWDZBQOSA-N 2 0 340.467 3.070 10 0 EGAERP C[C@@H]1[C@@H](C)[N@H+](Cc2ccccc2)[C@@H](C)CN1C(=O)CC[NH2+]C(C)(C)C ZINC000404367235 1297750893 /nfs/dbraw/zinc/75/08/93/1297750893.db2.gz HBUUWHFIPWOUNN-RCCFBDPRSA-N 2 0 345.531 3.275 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550658 1298280546 /nfs/dbraw/zinc/28/05/46/1298280546.db2.gz CIUUUOITUJHYHX-QZWWFDLISA-N 2 0 339.524 3.237 10 0 EGAERP c1cc(N2CC[N@@H+]3CCC[C@@H]3C2)ccc1NC1CC[NH+](C2CC2)CC1 ZINC000883347723 1302406565 /nfs/dbraw/zinc/40/65/65/1302406565.db2.gz XZCCMGPRSXGVLP-OAQYLSRUSA-N 2 0 340.515 3.010 10 0 EGAERP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccccc1F ZINC000886234044 1303406769 /nfs/dbraw/zinc/40/67/69/1303406769.db2.gz DVAWLLFYSZMLKI-LJQANCHMSA-N 2 0 334.479 3.116 10 0 EGAERP Cc1nccn1CCC[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886507426 1303480088 /nfs/dbraw/zinc/48/00/88/1303480088.db2.gz KIOJXZKMYLPDFR-ACRUOGEOSA-N 2 0 338.499 3.224 10 0 EGAERP C(CCC[N@@H+]1C[C@@H]2CSC[C@@H]2C1)CC[NH+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886566395 1303504743 /nfs/dbraw/zinc/50/47/43/1303504743.db2.gz PODXLCHDSSCFAP-USTZCAOPSA-N 2 0 340.602 3.136 10 0 EGAERP Cc1noc2ncc(C[NH2+]CCCC[N@H+]3C[C@H](C)C[C@H](C)C3)cc12 ZINC000894181274 1306265860 /nfs/dbraw/zinc/26/58/60/1306265860.db2.gz QXJLSWZHQREACL-GASCZTMLSA-N 2 0 330.476 3.379 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@H]([NH2+]CCC[C@H]4CCO4)CC[C@@H]3C2)cc1 ZINC000898518979 1310773877 /nfs/dbraw/zinc/77/38/77/1310773877.db2.gz LJPZDKRKJHGDAX-MHTWAQMVSA-N 2 0 328.500 3.446 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CC[N@@H+]2C(C)(C)C)CC1 ZINC000899205033 1310978734 /nfs/dbraw/zinc/97/87/34/1310978734.db2.gz JSGCAPGINRQALO-QGZVFWFLSA-N 2 0 335.536 3.116 10 0 EGAERP C[C@H](CCCNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858169703 1328701520 /nfs/dbraw/zinc/70/15/20/1328701520.db2.gz AWBAYBLZUXXVNE-CABCVRRESA-N 2 0 327.513 3.142 10 0 EGAERP CC[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC000858253015 1328723958 /nfs/dbraw/zinc/72/39/58/1328723958.db2.gz AHSILYLOKYFYMF-HRCADAONSA-N 2 0 339.524 3.237 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CN1C(=O)OC(C)(C)C ZINC000858284654 1328729004 /nfs/dbraw/zinc/72/90/04/1328729004.db2.gz MUNSJHKTPXYVIG-OWCLPIDISA-N 2 0 339.524 3.237 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](C[C@H]1CCC3(CCCCCC3)O1)CCO2 ZINC000930823384 1328981194 /nfs/dbraw/zinc/98/11/94/1328981194.db2.gz JWWCEVHWUTXCPP-GOSISDBHSA-N 2 0 336.520 3.055 10 0 EGAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2cccc3[nH]c(=O)oc32)CC1 ZINC000921821661 1322405744 /nfs/dbraw/zinc/40/57/44/1322405744.db2.gz XSZVTVYLMMXCRB-UHFFFAOYSA-N 2 0 331.460 3.381 10 0 EGAERP CC1([NH+]2CCCC2)CCC([NH2+]Cc2nc(Br)c[nH]2)CC1 ZINC000922505488 1322544412 /nfs/dbraw/zinc/54/44/12/1322544412.db2.gz SJJLIBUTFGNSRR-UHFFFAOYSA-N 2 0 341.297 3.059 10 0 EGAERP C[C@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CCN1Cc1ccccc1 ZINC000922868414 1322636316 /nfs/dbraw/zinc/63/63/16/1322636316.db2.gz AAERICKBTNTRCE-ONSCTEFMSA-N 2 0 344.499 3.312 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]CC[C@H]2CCC3(CCC3)O2)cc1 ZINC000922970030 1322666061 /nfs/dbraw/zinc/66/60/61/1322666061.db2.gz ZMFHBFGYRSIMEG-LJQANCHMSA-N 2 0 332.488 3.208 10 0 EGAERP C[NH2+]CC1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000923292865 1322727409 /nfs/dbraw/zinc/72/74/09/1322727409.db2.gz ZIRVJQVLSQMPMT-DOTOQJQBSA-N 2 0 342.405 3.100 10 0 EGAERP CC[C@H](C)NC(=O)[C@@H]1C[C@H](C)[N@H+](CCC[NH2+]C2CC2)[C@H]2CCCC[C@H]12 ZINC000923312074 1322731381 /nfs/dbraw/zinc/73/13/81/1322731381.db2.gz HLKZPAYAKOUMBK-UFHDJZAFSA-N 2 0 349.563 3.312 10 0 EGAERP CC[N@H+](CCC1C[C@H]2CC[C@@H](C1)[NH2+]2)Cc1ccc(C(=O)N(C)C)cc1 ZINC000923311769 1322731824 /nfs/dbraw/zinc/73/18/24/1322731824.db2.gz WERWDXURXCXQDK-CTXDPNEZSA-N 2 0 343.515 3.131 10 0 EGAERP C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923494740 1322761549 /nfs/dbraw/zinc/76/15/49/1322761549.db2.gz NYBSHUVFLYBXHL-QFBILLFUSA-N 2 0 325.456 3.077 10 0 EGAERP C[C@@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1C[NH3+] ZINC000923500401 1322762707 /nfs/dbraw/zinc/76/27/07/1322762707.db2.gz PXSSPSRKNFMSGT-WBVHZDCISA-N 2 0 325.456 3.085 10 0 EGAERP COc1cc([C@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc2ccccc21 ZINC000924577134 1323061147 /nfs/dbraw/zinc/06/11/47/1323061147.db2.gz CEIZLESFEAJSGK-KRWDZBQOSA-N 2 0 341.499 3.137 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924956209 1323227609 /nfs/dbraw/zinc/22/76/09/1323227609.db2.gz VIBHYZGWEWIJNE-QUCCMNQESA-N 2 0 332.536 3.151 10 0 EGAERP c1ccc(SC2CC([NH2+]C3CC[NH+](C[C@H]4CCOC4)CC3)C2)cc1 ZINC000925095976 1323279599 /nfs/dbraw/zinc/27/95/99/1323279599.db2.gz XFBGYWVKAZERCJ-PPDQVPDSSA-N 2 0 346.540 3.400 10 0 EGAERP COCC[N@@H+](Cc1cnc(-c2ccccc2)o1)CC1CC[NH+](C)CC1 ZINC000931380007 1329107973 /nfs/dbraw/zinc/10/79/73/1329107973.db2.gz GJPRSEORGAHHGL-UHFFFAOYSA-N 2 0 343.471 3.132 10 0 EGAERP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1ccnn1C1CCC1 ZINC000925438748 1325150027 /nfs/dbraw/zinc/15/00/27/1325150027.db2.gz DOYSGNNFJITENG-IXDOHACOSA-N 2 0 334.508 3.148 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H](c2ccccn2)C2CCC2)C[C@H](C)O1 ZINC000925440823 1325150247 /nfs/dbraw/zinc/15/02/47/1325150247.db2.gz VOQIPSMMYBXTMF-FUHIMQAGSA-N 2 0 331.504 3.402 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)C1 ZINC000925484378 1325171259 /nfs/dbraw/zinc/17/12/59/1325171259.db2.gz DNNJVWJYUFUPRO-JMSVASOKSA-N 2 0 330.394 3.234 10 0 EGAERP CN(C)[C@H](C[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1c(F)cccc1F ZINC000925497280 1325177877 /nfs/dbraw/zinc/17/78/77/1325177877.db2.gz GPURPXKVOVERNV-DVOMOZLQSA-N 2 0 325.447 3.063 10 0 EGAERP CC(C)Oc1cccc([C@H](O)C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925507247 1325183224 /nfs/dbraw/zinc/18/32/24/1325183224.db2.gz XGIPFNFLQIEHOF-PCCBWWKXSA-N 2 0 346.515 3.265 10 0 EGAERP COc1cccc([C@H](CN[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)c1 ZINC000925507267 1325183562 /nfs/dbraw/zinc/18/35/62/1325183562.db2.gz VMCQLHOUVUPDCH-GGPKGHCWSA-N 2 0 345.531 3.328 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925524346 1325190013 /nfs/dbraw/zinc/19/00/13/1325190013.db2.gz RQVUYZGTIRABTO-NJAFHUGGSA-N 2 0 332.488 3.220 10 0 EGAERP FC(F)(F)c1csc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925524984 1325190193 /nfs/dbraw/zinc/19/01/93/1325190193.db2.gz CVGUGYVOPAAGBB-CHWSQXEVSA-N 2 0 347.450 3.462 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C1 ZINC000925564751 1325211570 /nfs/dbraw/zinc/21/15/70/1325211570.db2.gz LPBKMLBZEVPBGV-VQTJNVASSA-N 3 0 329.532 3.394 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1c(F)cccc1Cl ZINC000925582434 1325220626 /nfs/dbraw/zinc/22/06/26/1325220626.db2.gz YTJAUWBRWHXANG-KBRIMQKVSA-N 2 0 340.870 3.270 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C12CCC2 ZINC000925623882 1325234240 /nfs/dbraw/zinc/23/42/40/1325234240.db2.gz VHXPQETUJHNIKD-CABCVRRESA-N 2 0 328.378 3.125 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)[C@H](O)c1c(Cl)cccc1Cl ZINC000925620408 1325234792 /nfs/dbraw/zinc/23/47/92/1325234792.db2.gz WBQICBMVUMDFHY-FWHFQCOYSA-N 2 0 329.271 3.275 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000925629990 1325238124 /nfs/dbraw/zinc/23/81/24/1325238124.db2.gz OXNRFJFSKAYKAE-FVQBIDKESA-N 2 0 328.460 3.336 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@H]2CC[NH2+]C23CCCC3)cc1OC ZINC000925627465 1325238452 /nfs/dbraw/zinc/23/84/52/1325238452.db2.gz ACRUSCVEXISMLC-KXBFYZLASA-N 2 0 332.488 3.147 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@H]2CCCN(c3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925653553 1325248712 /nfs/dbraw/zinc/24/87/12/1325248712.db2.gz NCHRJBKPGKRVRY-LMCOJAPRSA-N 2 0 327.516 3.269 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]C[C@H](CO)Cc1ccc(F)c(F)c1)c1ccccc1 ZINC000925660112 1325253844 /nfs/dbraw/zinc/25/38/44/1325253844.db2.gz ZUQBHUVCVJZOCC-OXQOHEQNSA-N 2 0 348.437 3.186 10 0 EGAERP C[C@H](Cc1ccccc1C(F)(F)F)[NH2+]C[C@H]1C[NH2+]CCC1(F)F ZINC000925779377 1325297784 /nfs/dbraw/zinc/29/77/84/1325297784.db2.gz YCGPUDXWGDIGEK-DGCLKSJQSA-N 2 0 336.348 3.471 10 0 EGAERP FC1(F)CC[NH2+]C[C@H]1CN[C@@H]1CCc2c1cccc2Br ZINC000925781137 1325299377 /nfs/dbraw/zinc/29/93/77/1325299377.db2.gz HKXLFJDPCUHQAQ-IINYFYTJSA-N 2 0 345.231 3.271 10 0 EGAERP c1cc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804975 1325307630 /nfs/dbraw/zinc/30/76/30/1325307630.db2.gz OQLMGGLWARZZBP-LEWJYISDSA-N 2 0 338.499 3.173 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccn1 ZINC000925809658 1325311218 /nfs/dbraw/zinc/31/12/18/1325311218.db2.gz SGVGFECDYOZCNM-HXUWFJFHSA-N 2 0 338.499 3.118 10 0 EGAERP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc(-n2cncn2)cc1 ZINC000925812878 1325312623 /nfs/dbraw/zinc/31/26/23/1325312623.db2.gz CYBOYHNESJTYEY-QGZVFWFLSA-N 2 0 341.503 3.478 10 0 EGAERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(OC(F)(F)F)cc1 ZINC000925813020 1325312877 /nfs/dbraw/zinc/31/28/77/1325312877.db2.gz QTCCGCCWXROFGD-INIZCTEOSA-N 2 0 345.409 3.049 10 0 EGAERP C[NH+](C)CC[C@H](N[C@@H](CCC[NH3+])c1ccccc1)c1cccnc1 ZINC000925825634 1325318987 /nfs/dbraw/zinc/31/89/87/1325318987.db2.gz AZWGYGHKYPCETB-PMACEKPBSA-N 2 0 326.488 3.144 10 0 EGAERP CC(C)Oc1ccc([C@@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1 ZINC000925844334 1325325711 /nfs/dbraw/zinc/32/57/11/1325325711.db2.gz JTKYYLCZSJSLBI-GOSISDBHSA-N 2 0 333.520 3.200 10 0 EGAERP C[C@@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925845166 1325326421 /nfs/dbraw/zinc/32/64/21/1325326421.db2.gz XIOMAZGHQABGIX-LXGCGDOSSA-N 2 0 342.487 3.153 10 0 EGAERP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925849660 1325329525 /nfs/dbraw/zinc/32/95/25/1325329525.db2.gz JNPKIJIUCZNCRD-ZYSHUDEJSA-N 2 0 342.483 3.146 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc2ccccc2c1 ZINC000925850935 1325331046 /nfs/dbraw/zinc/33/10/46/1325331046.db2.gz AEJVKTIYNWCAFH-DNVCBOLYSA-N 2 0 338.451 3.176 10 0 EGAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)C2)n1 ZINC000925872642 1325338458 /nfs/dbraw/zinc/33/84/58/1325338458.db2.gz IMZIHNOGZMVCFE-JSRQGNBESA-N 2 0 332.492 3.169 10 0 EGAERP CCc1noc([C@@H]2CC[C@@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)n1 ZINC000925874126 1325339062 /nfs/dbraw/zinc/33/90/62/1325339062.db2.gz WDUYCJJADZVNNF-ZACQAIPSSA-N 2 0 328.460 3.338 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)c(Br)c1 ZINC000925883391 1325342347 /nfs/dbraw/zinc/34/23/47/1325342347.db2.gz WCHSTJMDUKASLQ-TUAOUCFPSA-N 2 0 327.266 3.236 10 0 EGAERP COC[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc(F)c(F)c1 ZINC000925886373 1325342880 /nfs/dbraw/zinc/34/28/80/1325342880.db2.gz FQWIZMLVPVRZFH-FFZOFVMBSA-N 2 0 346.421 3.301 10 0 EGAERP OCCC1(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000926227412 1325482708 /nfs/dbraw/zinc/48/27/08/1325482708.db2.gz FQOANELTRLBBQW-IHWFROFDSA-N 2 0 328.500 3.324 10 0 EGAERP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(OC)n1 ZINC000926675104 1327661527 /nfs/dbraw/zinc/66/15/27/1327661527.db2.gz IICNWSSTNWOEOS-GOSISDBHSA-N 2 0 347.503 3.022 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+][C@@H]3C[C@H]4OC(C)(C)O[C@H]4C3)CC2)C1 ZINC000927058181 1327834040 /nfs/dbraw/zinc/83/40/40/1327834040.db2.gz OSXRTKBOUSYMAM-XFUTXVRSSA-N 2 0 336.520 3.302 10 0 EGAERP CCc1onc(C)c1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000927138144 1327886475 /nfs/dbraw/zinc/88/64/75/1327886475.db2.gz CSLUWKYFWFVOTK-CQSZACIVSA-N 2 0 331.460 3.337 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](C[C@]3(C)CCCS3)C2)ccn1 ZINC000862423152 1329485429 /nfs/dbraw/zinc/48/54/29/1329485429.db2.gz QKCMKXVAPVXCHY-MOPGFXCFSA-N 2 0 349.544 3.272 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[C@@H](C)[NH2+]C2)ccc1OC ZINC000863547676 1329562635 /nfs/dbraw/zinc/56/26/35/1329562635.db2.gz RJFOAMPXPVGTBT-JTDSTZFVSA-N 2 0 333.520 3.328 10 0 EGAERP Cc1ccc(-c2nn(C)cc2C[NH2+]C2CCC(C)([NH+](C)C)CC2)o1 ZINC000865764715 1329736188 /nfs/dbraw/zinc/73/61/88/1329736188.db2.gz MUKCOHQZBBFEOY-UHFFFAOYSA-N 2 0 330.476 3.341 10 0 EGAERP CCc1cnc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000865774549 1329736952 /nfs/dbraw/zinc/73/69/52/1329736952.db2.gz WIOWYZYPSTZMPV-UHFFFAOYSA-N 2 0 329.513 3.459 10 0 EGAERP C[C@H](CCc1cccnc1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000866248630 1330085264 /nfs/dbraw/zinc/08/52/64/1330085264.db2.gz QEWRDRMLMGMJKJ-QGZVFWFLSA-N 2 0 327.472 3.133 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCC1CCCC1 ZINC001323170620 1387306230 /nfs/dbraw/zinc/30/62/30/1387306230.db2.gz RWQFYAUTHAKFNL-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001323287750 1387324064 /nfs/dbraw/zinc/32/40/64/1387324064.db2.gz UHUGARSGXPFWJT-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([C@@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001323637137 1387413600 /nfs/dbraw/zinc/41/36/00/1387413600.db2.gz JIQAOXZUIWGARH-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CC[N@H+](C)C1 ZINC001323670669 1387421377 /nfs/dbraw/zinc/42/13/77/1387421377.db2.gz VEWVYYDCXSZBQA-VHKPFCJZSA-N 2 0 347.547 3.186 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001323836876 1387469643 /nfs/dbraw/zinc/46/96/43/1387469643.db2.gz XZNZFMLHSSDEQM-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001323859476 1387479419 /nfs/dbraw/zinc/47/94/19/1387479419.db2.gz WYIHKHGQJFTTDX-LYSGITKLSA-N 2 0 347.547 3.142 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CC3=CCCCC3)C2)C1 ZINC001323874058 1387486464 /nfs/dbraw/zinc/48/64/64/1387486464.db2.gz RLDUFFMMPDEWPJ-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@H](C)C1 ZINC001324081957 1387533603 /nfs/dbraw/zinc/53/36/03/1387533603.db2.gz QQHOLBZLNJTIND-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@@H]1C ZINC001324096565 1387539795 /nfs/dbraw/zinc/53/97/95/1387539795.db2.gz COVAPPPCFUMFQB-HKUYNNGSSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001324101540 1387542594 /nfs/dbraw/zinc/54/25/94/1387542594.db2.gz ZWNWDFHSJOOEKX-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324480717 1387637188 /nfs/dbraw/zinc/63/71/88/1387637188.db2.gz DEXKADYXWLMAPR-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001324936823 1387834137 /nfs/dbraw/zinc/83/41/37/1387834137.db2.gz QGALDWQEZFVCJQ-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@]1(C)CCC[NH+](CCC(C)(C)C)C1 ZINC001324976041 1387866737 /nfs/dbraw/zinc/86/67/37/1387866737.db2.gz KLSMCCHPCLNGNM-HXUWFJFHSA-N 2 0 339.568 3.373 10 0 EGAERP c1cc(N2CCC[N@@H+](C[C@@H]3CCCC34CCOCC4)CC2)cc[nH+]1 ZINC001195534231 1368450490 /nfs/dbraw/zinc/45/04/90/1368450490.db2.gz AVPFFDDECIJKLI-SFHVURJKSA-N 2 0 329.488 3.191 10 0 EGAERP Brc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC001200067557 1369311437 /nfs/dbraw/zinc/31/14/37/1369311437.db2.gz HCYQOZIXWIBCQU-UHFFFAOYSA-N 2 0 343.228 3.320 10 0 EGAERP C[C@H]([NH2+]CCOC1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812555 1371407483 /nfs/dbraw/zinc/40/74/83/1371407483.db2.gz QFQDMIAELWEJFS-HOTGVXAUSA-N 2 0 326.550 3.141 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001326273639 1388138460 /nfs/dbraw/zinc/13/84/60/1388138460.db2.gz WNQFPGFTVKAWGV-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CC3CCC3)C2)CCCCC1 ZINC001326326923 1388155032 /nfs/dbraw/zinc/15/50/32/1388155032.db2.gz WRBFHIBBPHRXQL-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734346605 1438065764 /nfs/dbraw/zinc/06/57/64/1438065764.db2.gz LQOFKAIQHDJGJT-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC001326370825 1388169012 /nfs/dbraw/zinc/16/90/12/1388169012.db2.gz JERQALZZEXDEOM-BHIYHBOVSA-N 2 0 335.536 3.007 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCCC[C@@H]2[NH3+])CCCC1)c1ccccc1 ZINC001326687778 1388283247 /nfs/dbraw/zinc/28/32/47/1388283247.db2.gz LBCWERUNANQJLJ-UHOSZYNNSA-N 2 0 343.515 3.284 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1([NH2+]CC2CCC(C)CC2)CCC1)[NH+](C)C ZINC001326913139 1388348297 /nfs/dbraw/zinc/34/82/97/1388348297.db2.gz DTFWDCBLOLNCJS-ABHNRTSZSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327156494 1388410600 /nfs/dbraw/zinc/41/06/00/1388410600.db2.gz LQTRKNWAWNQENT-VZSQWMKGSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001327173185 1388421795 /nfs/dbraw/zinc/42/17/95/1388421795.db2.gz OAEFGLGLZPBZIR-LPHOPBHVSA-N 2 0 349.494 3.198 10 0 EGAERP CC1CCC(C[NH2+]C[C@H]2CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001266039895 1377178495 /nfs/dbraw/zinc/17/84/95/1377178495.db2.gz CXUYKYJDOKSTQV-SOAGJPPSSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC001135753323 1377202778 /nfs/dbraw/zinc/20/27/78/1377202778.db2.gz FQPXWNFKSOHVSE-LJQANCHMSA-N 2 0 343.515 3.162 10 0 EGAERP C[C@H](CCNC(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1CCCC1 ZINC001266164395 1377213756 /nfs/dbraw/zinc/21/37/56/1377213756.db2.gz UXPAJLYTIPKPMM-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCC(C)(C)C ZINC001266223761 1377236150 /nfs/dbraw/zinc/23/61/50/1377236150.db2.gz WQKNACBTCSVJGF-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001266502126 1377323596 /nfs/dbraw/zinc/32/35/96/1377323596.db2.gz WZSMNMASXTWXOR-BLJGWNJWSA-N 2 0 347.547 3.284 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](CC1CC2(CCC2)C1)C1CC1 ZINC001266596337 1377341339 /nfs/dbraw/zinc/34/13/39/1377341339.db2.gz AXALECGPOCWOAW-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724187 1377367202 /nfs/dbraw/zinc/36/72/02/1377367202.db2.gz HJPSSOLSPXACCY-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266848963 1377393488 /nfs/dbraw/zinc/39/34/88/1377393488.db2.gz JHDPWZPSIPYZER-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266877659 1377399055 /nfs/dbraw/zinc/39/90/55/1377399055.db2.gz VFUSXMQRTGKEBF-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267047137 1377408328 /nfs/dbraw/zinc/40/83/28/1377408328.db2.gz HYANOACHFWKTPC-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267089864 1377411667 /nfs/dbraw/zinc/41/16/67/1377411667.db2.gz GGMAJPWJPWOCMM-KPDZFXRVSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1)C1CCC1 ZINC001267521228 1377450945 /nfs/dbraw/zinc/45/09/45/1377450945.db2.gz RKWUCTOQBZEAPN-LJQANCHMSA-N 2 0 345.531 3.354 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001268164673 1377490538 /nfs/dbraw/zinc/49/05/38/1377490538.db2.gz YFHSLGIEORIEER-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001270966432 1377619762 /nfs/dbraw/zinc/61/97/62/1377619762.db2.gz YBHGCZSAUNVTPS-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001327488476 1388533351 /nfs/dbraw/zinc/53/33/51/1388533351.db2.gz IVUXTXJJIKFEAD-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\c1ccccc1 ZINC001277901602 1378250539 /nfs/dbraw/zinc/25/05/39/1378250539.db2.gz YREPRJZHUXGUDZ-GFBZKKKVSA-N 2 0 343.515 3.011 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@]12CCC[C@H]1[N@H+](CC1CCC1)CC2 ZINC001278473346 1378274348 /nfs/dbraw/zinc/27/43/48/1378274348.db2.gz HTEGXGVXKHIUCG-TZIWHRDSSA-N 2 0 347.547 3.166 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001278664546 1378286606 /nfs/dbraw/zinc/28/66/06/1378286606.db2.gz ZAEODTKBWYWEGF-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282663185 1378532207 /nfs/dbraw/zinc/53/22/07/1378532207.db2.gz AABGJTCWNNIJCK-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(C)c2)CC1(C)C ZINC001282833421 1378634644 /nfs/dbraw/zinc/63/46/44/1378634644.db2.gz OCBGRTQAURCVKZ-IEBWSBKVSA-N 2 0 345.531 3.224 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001282946990 1378680621 /nfs/dbraw/zinc/68/06/21/1378680621.db2.gz JQKCMMQEFGIODD-KSZLIROESA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3=CCCCC3)C[C@H]2C1 ZINC001282957057 1378683945 /nfs/dbraw/zinc/68/39/45/1378683945.db2.gz CZHLURIHEFLSLA-XUVXKRRUSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC1CCCCCC1)C2 ZINC001282977936 1378695389 /nfs/dbraw/zinc/69/53/89/1378695389.db2.gz QVOPAURHEWGNCA-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001283111079 1378735601 /nfs/dbraw/zinc/73/56/01/1378735601.db2.gz NGHGBLXNZAOWNT-VPLLLXJESA-N 2 0 337.552 3.170 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001283222128 1378764791 /nfs/dbraw/zinc/76/47/91/1378764791.db2.gz NIERCGWOTHJREQ-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](CCNC(=O)[C@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001283452067 1378948521 /nfs/dbraw/zinc/94/85/21/1378948521.db2.gz CJWKTKVEBJCNAS-WOJBJXKFSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001283613626 1379054108 /nfs/dbraw/zinc/05/41/08/1379054108.db2.gz YOBJVXZSXQUGAY-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283678057 1379106813 /nfs/dbraw/zinc/10/68/13/1379106813.db2.gz LMCKPMFRGSWVHL-QFBILLFUSA-N 2 0 343.531 3.216 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C1 ZINC001284027522 1379375457 /nfs/dbraw/zinc/37/54/57/1379375457.db2.gz VYUOPLPYHZMXRF-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@H]1[N@H+](CCCC(C)(C)C)CC2 ZINC001284055817 1379405954 /nfs/dbraw/zinc/40/59/54/1379405954.db2.gz CITJDGAGHCOXAJ-MBOZVWFJSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1[NH2+]CCC(C)(C)C ZINC001327862156 1388608376 /nfs/dbraw/zinc/60/83/76/1388608376.db2.gz QZSARXQGOABBTP-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001284097412 1379464435 /nfs/dbraw/zinc/46/44/35/1379464435.db2.gz QWPYYCZXZZCMFU-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001284348161 1379746900 /nfs/dbraw/zinc/74/69/00/1379746900.db2.gz JFVZXAPTIJDPCV-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284589306 1379990181 /nfs/dbraw/zinc/99/01/81/1379990181.db2.gz HRXFGWRHBKFRHM-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001284589305 1379990417 /nfs/dbraw/zinc/99/04/17/1379990417.db2.gz HRXFGWRHBKFRHM-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCCC2CCC2)CC1 ZINC001327990499 1388639848 /nfs/dbraw/zinc/63/98/48/1388639848.db2.gz GAKNCVZRRXHCSJ-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCC(C)(C)CC1)C(C)(C)C ZINC001284625698 1380026868 /nfs/dbraw/zinc/02/68/68/1380026868.db2.gz RKIXEYTVBXAOLM-KRWDZBQOSA-N 2 0 339.568 3.275 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284629972 1380033615 /nfs/dbraw/zinc/03/36/15/1380033615.db2.gz BVVAOVHORAHIMB-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCCC1 ZINC001284653148 1380067979 /nfs/dbraw/zinc/06/79/79/1380067979.db2.gz PPXVRAOBMIGCPZ-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP CN(C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12)C(C)(C)C[NH+]1CCCCCC1 ZINC001154825623 1380359257 /nfs/dbraw/zinc/35/92/57/1380359257.db2.gz VDKLWETYNTWQID-ZWKOTPCHSA-N 2 0 335.536 3.116 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001328342722 1388726129 /nfs/dbraw/zinc/72/61/29/1388726129.db2.gz JUWFVKVOHGOKGF-PXNSSMCTSA-N 2 0 345.531 3.106 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C\Cl)c1 ZINC001328674285 1388803651 /nfs/dbraw/zinc/80/36/51/1388803651.db2.gz UFVTVFNYEKBXAA-TWVNLXSWSA-N 2 0 349.906 3.085 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698610926 1406240716 /nfs/dbraw/zinc/24/07/16/1406240716.db2.gz XZZOKRDYTFKGKH-MJGOQNOKSA-N 2 0 345.531 3.415 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001316667056 1384512062 /nfs/dbraw/zinc/51/20/62/1384512062.db2.gz OGEAUHRIYNTVBX-GBESFXJTSA-N 2 0 345.531 3.271 10 0 EGAERP CC(C)CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001316717909 1384535978 /nfs/dbraw/zinc/53/59/78/1384535978.db2.gz UABQHRVPOOJZLO-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001316803145 1384592290 /nfs/dbraw/zinc/59/22/90/1384592290.db2.gz XXCWHZTVWVMRDY-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1Cl)[NH+](C)C ZINC001316850796 1384639241 /nfs/dbraw/zinc/63/92/41/1384639241.db2.gz IYFXOGIADJINAH-PBHICJAKSA-N 2 0 339.911 3.179 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316869336 1384654498 /nfs/dbraw/zinc/65/44/98/1384654498.db2.gz GVZASYLBFTWXJQ-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCCC[N@@H+]2Cc2ccccc2)CCCC1 ZINC001171836618 1384656567 /nfs/dbraw/zinc/65/65/67/1384656567.db2.gz VYVLEMNZGACFIM-IBGZPJMESA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001316875479 1384660544 /nfs/dbraw/zinc/66/05/44/1384660544.db2.gz AFCQOHNTGXZFAY-OANMOWAGSA-N 2 0 349.563 3.434 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001316875482 1384660655 /nfs/dbraw/zinc/66/06/55/1384660655.db2.gz FSEQPZLXWFMNON-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CC1CC(C)C1)C1CC1 ZINC001316924758 1384695631 /nfs/dbraw/zinc/69/56/31/1384695631.db2.gz CUGXULIOJCOPAO-AFMYVXGZSA-N 2 0 349.563 3.266 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317059764 1384832591 /nfs/dbraw/zinc/83/25/91/1384832591.db2.gz YTCJSMGHTPZDRC-RJCMGOLDSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+](CCCC3CCCC3)C2)C1 ZINC001317140607 1384908245 /nfs/dbraw/zinc/90/82/45/1384908245.db2.gz RFSIJKBHSQFZDQ-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H](C[NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001317158106 1384921754 /nfs/dbraw/zinc/92/17/54/1384921754.db2.gz NTAIAHUEXZYBOU-IHPCNDPISA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001317171410 1384938328 /nfs/dbraw/zinc/93/83/28/1384938328.db2.gz ASMLPFVJPIDGNU-QLOJAFMTSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001317172159 1384939188 /nfs/dbraw/zinc/93/91/88/1384939188.db2.gz DULPNZZWYRZXAD-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001317175773 1384946764 /nfs/dbraw/zinc/94/67/64/1384946764.db2.gz GNHKXOOISFFGDZ-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1C/C=C\c1ccccc1 ZINC001317177163 1384950670 /nfs/dbraw/zinc/95/06/70/1384950670.db2.gz PPIMGZMCMLPBDV-FNUUXAGOSA-N 2 0 343.515 3.011 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001317192363 1384966841 /nfs/dbraw/zinc/96/68/41/1384966841.db2.gz DUMMBWBAZGHUCB-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001317196265 1384970067 /nfs/dbraw/zinc/97/00/67/1384970067.db2.gz ROLTXAHTELTRCX-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317205854 1384982031 /nfs/dbraw/zinc/98/20/31/1384982031.db2.gz BJJQDHFWLCEBAO-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+]C/C=C/c2ccccc2)CC1 ZINC001317221234 1385001490 /nfs/dbraw/zinc/00/14/90/1385001490.db2.gz BQKQQEVPDBPTAF-JXMROGBWSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)[C@H](C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001317220908 1385001641 /nfs/dbraw/zinc/00/16/41/1385001641.db2.gz OCUPRUJEAXGBMN-DAWZGUTISA-N 2 0 339.568 3.416 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001317241634 1385014335 /nfs/dbraw/zinc/01/43/35/1385014335.db2.gz MOFBZRNFLYTQOL-OXQOHEQNSA-N 2 0 343.515 3.031 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C)cc2C)C1 ZINC001317262693 1385031958 /nfs/dbraw/zinc/03/19/58/1385031958.db2.gz BROIEOMWOYZKRX-AZUAARDMSA-N 2 0 345.531 3.020 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001317268840 1385038708 /nfs/dbraw/zinc/03/87/08/1385038708.db2.gz ACWWNZMOUFAYJE-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001317271474 1385041967 /nfs/dbraw/zinc/04/19/67/1385041967.db2.gz NKPDIZZGINWCJH-QZTJIDSGSA-N 2 0 345.531 3.108 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317354056 1385101626 /nfs/dbraw/zinc/10/16/26/1385101626.db2.gz BRARVXGNZLOHSN-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCC(C)(C)CC1 ZINC001317392593 1385111545 /nfs/dbraw/zinc/11/15/45/1385111545.db2.gz BOKJPMDAFSTKCS-LPHOPBHVSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001329102177 1388968583 /nfs/dbraw/zinc/96/85/83/1388968583.db2.gz BRVHBEQVCOIASX-IRXDYDNUSA-N 2 0 335.536 3.234 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001317547019 1385297297 /nfs/dbraw/zinc/29/72/97/1385297297.db2.gz UFTRKBYXBVGECY-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001317811973 1385512137 /nfs/dbraw/zinc/51/21/37/1385512137.db2.gz SWAPZWRADJVNJN-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317842382 1385528750 /nfs/dbraw/zinc/52/87/50/1385528750.db2.gz PYSGCBAWXNUQPF-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317861787 1385546270 /nfs/dbraw/zinc/54/62/70/1385546270.db2.gz DCMJCSKQTDOBRG-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001317934422 1385574595 /nfs/dbraw/zinc/57/45/95/1385574595.db2.gz XSHKXKZAXWLFHA-PWBPZBFBSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)CC1(C)C ZINC001329155453 1388994655 /nfs/dbraw/zinc/99/46/55/1388994655.db2.gz ALJJGINLZXMPDQ-SFHVURJKSA-N 2 0 332.488 3.363 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001318427172 1385683137 /nfs/dbraw/zinc/68/31/37/1385683137.db2.gz WZWOQZBUVIEQPZ-PXNSSMCTSA-N 2 0 345.531 3.355 10 0 EGAERP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001318482958 1385714111 /nfs/dbraw/zinc/71/41/11/1385714111.db2.gz OFDBRRWDBKIUMR-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001318580316 1385768568 /nfs/dbraw/zinc/76/85/68/1385768568.db2.gz BWJOIJPSMQZWBE-IBGZPJMESA-N 2 0 337.552 3.173 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCC2)c1 ZINC001318670246 1385827884 /nfs/dbraw/zinc/82/78/84/1385827884.db2.gz KVPNEMAGLVMJCQ-UHFFFAOYSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@](C)(C[NH2+]CC1=CCCCC1)C1CC1 ZINC001318686713 1385839752 /nfs/dbraw/zinc/83/97/52/1385839752.db2.gz REQATFQTIRVXKC-TZIWHRDSSA-N 2 0 347.547 3.234 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001318804077 1385857726 /nfs/dbraw/zinc/85/77/26/1385857726.db2.gz LMKWQKKOKHMRBU-GUDVDZBRSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)C1 ZINC001318976516 1385904856 /nfs/dbraw/zinc/90/48/56/1385904856.db2.gz OCKTZZRDQRFJMF-MISYRCLQSA-N 2 0 349.563 3.316 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CCCC2CCCC2)CC1 ZINC001319045485 1385944672 /nfs/dbraw/zinc/94/46/72/1385944672.db2.gz SNZFQONYQKTGPZ-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)cc1 ZINC001319115356 1385964723 /nfs/dbraw/zinc/96/47/23/1385964723.db2.gz HOKYLDGGSNOUFZ-LJQANCHMSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001319455422 1386129003 /nfs/dbraw/zinc/12/90/03/1386129003.db2.gz SECYWQWYADJANF-UXRNRCMTSA-N 2 0 343.515 3.009 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001319710100 1386263160 /nfs/dbraw/zinc/26/31/60/1386263160.db2.gz RHQXENHNXGVVOI-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001320109445 1386517679 /nfs/dbraw/zinc/51/76/79/1386517679.db2.gz BUNICSHNVIGLGJ-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1CC[C@H](C2CC2)O1 ZINC001179690475 1386555051 /nfs/dbraw/zinc/55/50/51/1386555051.db2.gz HTZWUKNJUPGIBP-LEWJYISDSA-N 2 0 344.499 3.208 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001320420665 1386604954 /nfs/dbraw/zinc/60/49/54/1386604954.db2.gz AEWHKYRYKNXCIC-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001320474910 1386620616 /nfs/dbraw/zinc/62/06/16/1386620616.db2.gz VKONIRPAZYXOMS-MJGOQNOKSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)CC[NH2+]CC2CCCCC2)C1 ZINC001320529274 1386638554 /nfs/dbraw/zinc/63/85/54/1386638554.db2.gz MBYXQZJAVYGWDZ-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)(C(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001321184555 1386834624 /nfs/dbraw/zinc/83/46/24/1386834624.db2.gz GVRBFGAIJFQCMN-ARJAWSKDSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001698674686 1406323115 /nfs/dbraw/zinc/32/31/15/1406323115.db2.gz ROULXFDNEJLXAM-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001698675459 1406323825 /nfs/dbraw/zinc/32/38/25/1406323825.db2.gz WUSXIFJHXYGMBP-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001698683071 1406330774 /nfs/dbraw/zinc/33/07/74/1406330774.db2.gz OQLZUTVPVKAXLK-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001698694296 1406338577 /nfs/dbraw/zinc/33/85/77/1406338577.db2.gz ODKHPCAUGAVFDD-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001322157302 1387080685 /nfs/dbraw/zinc/08/06/85/1387080685.db2.gz PISLAIHLVUXXHI-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322217801 1387106471 /nfs/dbraw/zinc/10/64/71/1387106471.db2.gz HZRBZYZHOYPTRR-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C[N@H+](C)CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001322259004 1387125634 /nfs/dbraw/zinc/12/56/34/1387125634.db2.gz SOWQCWGEYCBTHL-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CCc1cccc(C[NH+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001322307703 1387152746 /nfs/dbraw/zinc/15/27/46/1387152746.db2.gz RQXCRMIIDXJPCX-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341701 1387163724 /nfs/dbraw/zinc/16/37/24/1387163724.db2.gz YYXPBFTXJRJRGI-MOPGFXCFSA-N 2 0 347.547 3.236 10 0 EGAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001322701121 1387227244 /nfs/dbraw/zinc/22/72/44/1387227244.db2.gz RUOLIPIGYWXCNE-KRWDZBQOSA-N 2 0 347.528 3.180 10 0 EGAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001329256406 1389037193 /nfs/dbraw/zinc/03/71/93/1389037193.db2.gz DVBFZLRPWKNQSW-HDYDNRTBSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1C[NH+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001330045737 1389292880 /nfs/dbraw/zinc/29/28/80/1389292880.db2.gz DPZOBRGYHCQFKO-FXAWDEMLSA-N 2 0 345.531 3.052 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(F)c2)CC1(C)C ZINC001330245163 1389364910 /nfs/dbraw/zinc/36/49/10/1389364910.db2.gz RSZYRCNGHIMYPA-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001698725669 1406374963 /nfs/dbraw/zinc/37/49/63/1406374963.db2.gz NKFAPLXIUSVSJS-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCC1 ZINC001331363782 1389718931 /nfs/dbraw/zinc/71/89/31/1389718931.db2.gz XLHQHRZOAKQKMM-WOJBJXKFSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001331474015 1389763181 /nfs/dbraw/zinc/76/31/81/1389763181.db2.gz IMKUBIFTDOQOBR-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001331536036 1389788890 /nfs/dbraw/zinc/78/88/90/1389788890.db2.gz ZHJOQPRXLUUOEP-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)[C@H]2C)CC1 ZINC001331927685 1389914669 /nfs/dbraw/zinc/91/46/69/1389914669.db2.gz DKOAKWOQSYJSIE-XLIONFOSSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332011213 1389945143 /nfs/dbraw/zinc/94/51/43/1389945143.db2.gz ZIZCGTCKHSVIDE-HOCLYGCPSA-N 2 0 328.460 3.026 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001332033113 1389953219 /nfs/dbraw/zinc/95/32/19/1389953219.db2.gz SZVQLRAXLKIRRJ-BUPXIBQPSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1=CCCCC1 ZINC001332216707 1390047192 /nfs/dbraw/zinc/04/71/92/1390047192.db2.gz FLAZMZPJXHLBBS-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001332322664 1390086447 /nfs/dbraw/zinc/08/64/47/1390086447.db2.gz MOZJBRCNSQYGGG-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001332428437 1390114702 /nfs/dbraw/zinc/11/47/02/1390114702.db2.gz OZYZNUKZFJYARX-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332823516 1390194505 /nfs/dbraw/zinc/19/45/05/1390194505.db2.gz IKXVVXTUHTUZFT-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001332826514 1390195459 /nfs/dbraw/zinc/19/54/59/1390195459.db2.gz QCYLSRBYUFBLDM-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001332949499 1390222453 /nfs/dbraw/zinc/22/24/53/1390222453.db2.gz GSDAHMIOTKDGRM-DKRLNXSXSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[NH+]1CCC([C@@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001332950735 1390223119 /nfs/dbraw/zinc/22/31/19/1390223119.db2.gz YHKVIBLXOHNPKN-QGZVFWFLSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333182361 1390263428 /nfs/dbraw/zinc/26/34/28/1390263428.db2.gz YZMQYZBVVSAMFK-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)NCC1=CC[NH+](CC2CCCCC2)CC1)CC(C)(C)C ZINC001333407038 1390298131 /nfs/dbraw/zinc/29/81/31/1390298131.db2.gz SWAVOHVHDNINPM-UHFFFAOYSA-N 2 0 349.563 3.293 10 0 EGAERP CC[N@@H+]1CCC[C@H](CNc2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC001333671339 1390370686 /nfs/dbraw/zinc/37/06/86/1390370686.db2.gz HAHMLEUBEKJRAU-CQSZACIVSA-N 2 0 329.444 3.396 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001698803311 1406481374 /nfs/dbraw/zinc/48/13/74/1406481374.db2.gz LVMTWNRSKRSWHX-SFHVURJKSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479460156 1392248609 /nfs/dbraw/zinc/24/86/09/1392248609.db2.gz KMIQIDHOZUACLE-RAEMOODJSA-N 2 0 347.547 3.093 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001479523733 1392267931 /nfs/dbraw/zinc/26/79/31/1392267931.db2.gz OAASKMUXDUZSFP-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](Cc2c(C)cccc2C)[C@@H]1CC ZINC001479645934 1392305607 /nfs/dbraw/zinc/30/56/07/1392305607.db2.gz YMXKHNLJHAHSDC-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001479688486 1392320079 /nfs/dbraw/zinc/32/00/79/1392320079.db2.gz RTJHYAQBWXLYHT-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CCC(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001479693066 1392324408 /nfs/dbraw/zinc/32/44/08/1392324408.db2.gz UHOJKTGKLSLQPL-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479744496 1392359594 /nfs/dbraw/zinc/35/95/94/1392359594.db2.gz DJZGLQQFKFSKGI-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CC2)CC(C)(C)C1 ZINC001479746994 1392363553 /nfs/dbraw/zinc/36/35/53/1392363553.db2.gz VTBSEQLDAMNOGQ-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC1(C)C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCC2CC2)C1 ZINC001479747686 1392364072 /nfs/dbraw/zinc/36/40/72/1392364072.db2.gz DNKWVCQDRPRQDO-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1ccc2ccccc2c1 ZINC001479815627 1392408608 /nfs/dbraw/zinc/40/86/08/1392408608.db2.gz KVSPFERUYXJMOM-UHFFFAOYSA-N 2 0 341.499 3.118 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479821021 1392411669 /nfs/dbraw/zinc/41/16/69/1392411669.db2.gz DHIDGWQKMIDHBV-PXNSSMCTSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001698857067 1406564588 /nfs/dbraw/zinc/56/45/88/1406564588.db2.gz YRCUGCKHAKITAM-ROUUACIJSA-N 2 0 333.520 3.143 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CCCC1 ZINC001479846670 1392428820 /nfs/dbraw/zinc/42/88/20/1392428820.db2.gz OQDZJCSIKDBVEQ-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965716 1392501687 /nfs/dbraw/zinc/50/16/87/1392501687.db2.gz LHZCFICKTBNKKI-AEFFLSMTSA-N 2 0 346.519 3.139 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001479991242 1392522734 /nfs/dbraw/zinc/52/27/34/1392522734.db2.gz DBJARIQQLGDRAS-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001698862152 1406573687 /nfs/dbraw/zinc/57/36/87/1406573687.db2.gz VFUCJKRPLDQRTH-JLAWEPINSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001480300795 1392666227 /nfs/dbraw/zinc/66/62/27/1392666227.db2.gz QIKQWENNWLAXGB-VQTJNVASSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)CC[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001480411233 1392747245 /nfs/dbraw/zinc/74/72/45/1392747245.db2.gz JDQRPTGIYQAUHN-UHFFFAOYSA-N 2 0 345.531 3.425 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460626 1392759975 /nfs/dbraw/zinc/75/99/75/1392759975.db2.gz WXRBTNSJWAFMQG-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc(C2CCCCC2)cc1 ZINC001480530435 1392781186 /nfs/dbraw/zinc/78/11/86/1392781186.db2.gz GUWGCGOIRBDNTN-QGZVFWFLSA-N 2 0 345.531 3.280 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CNC(=O)CC[NH+]2CCCCC2)c1 ZINC001480595893 1392810704 /nfs/dbraw/zinc/81/07/04/1392810704.db2.gz FPWATZYENCWKRQ-OALUTQOASA-N 2 0 345.531 3.335 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001480729024 1392891242 /nfs/dbraw/zinc/89/12/42/1392891242.db2.gz BZNWLJZBRIMWOA-NHQAVIFJSA-N 2 0 349.563 3.386 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001480733972 1392899137 /nfs/dbraw/zinc/89/91/37/1392899137.db2.gz WVGUFJNBJVPYPR-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480736796 1392901515 /nfs/dbraw/zinc/90/15/15/1392901515.db2.gz JCXDGULEGJYXQB-HCZHMGAMSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001480770470 1392923061 /nfs/dbraw/zinc/92/30/61/1392923061.db2.gz DSMCEJZKYNMQIG-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1cccc(F)c1 ZINC001480996528 1393075901 /nfs/dbraw/zinc/07/59/01/1393075901.db2.gz ZZYPOFJRFPMAIO-BQFCYCMXSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1)[NH+](C)C ZINC001481043826 1393104615 /nfs/dbraw/zinc/10/46/15/1393104615.db2.gz GDJNLAPMFLLBRP-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001481096957 1393118428 /nfs/dbraw/zinc/11/84/28/1393118428.db2.gz ZRWAQFCMNSJTFI-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001481096956 1393118872 /nfs/dbraw/zinc/11/88/72/1393118872.db2.gz ZRWAQFCMNSJTFI-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481126935 1393126900 /nfs/dbraw/zinc/12/69/00/1393126900.db2.gz NMTDMHYFFUPXNX-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001481173615 1393141508 /nfs/dbraw/zinc/14/15/08/1393141508.db2.gz KOMJERBUWYXNKC-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC001698881883 1406612296 /nfs/dbraw/zinc/61/22/96/1406612296.db2.gz PKFFQCZLEXBKJC-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)CCC1=CCCCC1 ZINC001481347992 1393171303 /nfs/dbraw/zinc/17/13/03/1393171303.db2.gz PPARERINRLKQLX-IBGZPJMESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1ccccc1F ZINC001481352417 1393174404 /nfs/dbraw/zinc/17/44/04/1393174404.db2.gz WFEQYRHPYUKEBR-UHFFFAOYSA-N 2 0 349.494 3.027 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001698882626 1406613700 /nfs/dbraw/zinc/61/37/00/1406613700.db2.gz GCDMCWXBXVTQPY-RBUKOAKNSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCCC1 ZINC001698906523 1406640380 /nfs/dbraw/zinc/64/03/80/1406640380.db2.gz FYEHOACJZQZWKU-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC2CCCCC2)C1 ZINC001698924212 1406659762 /nfs/dbraw/zinc/65/97/62/1406659762.db2.gz YNVTVKFZRVGPFE-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)CCC1 ZINC001481367333 1394206848 /nfs/dbraw/zinc/20/68/48/1394206848.db2.gz QEADFDCCFAZVDQ-GOSISDBHSA-N 2 0 345.531 3.354 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001481445389 1394298932 /nfs/dbraw/zinc/29/89/32/1394298932.db2.gz WMBDTKFWHSXJLS-IHPCNDPISA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490763200 1394324945 /nfs/dbraw/zinc/32/49/45/1394324945.db2.gz NCWCPOLZEJICKP-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481489489 1394334529 /nfs/dbraw/zinc/33/45/29/1394334529.db2.gz SMVXCEYKQBFQRG-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481534993 1394393129 /nfs/dbraw/zinc/39/31/29/1394393129.db2.gz WVNUMYDRCVGEFY-HKUYNNGSSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CC1)[NH+]1CCCCC1 ZINC001491214439 1394474352 /nfs/dbraw/zinc/47/43/52/1394474352.db2.gz ODSGDRPWBLXBLV-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481744075 1394490261 /nfs/dbraw/zinc/49/02/61/1394490261.db2.gz JRURWBPKCVVTBH-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481744073 1394490344 /nfs/dbraw/zinc/49/03/44/1394490344.db2.gz JRURWBPKCVVTBH-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001491302498 1394502192 /nfs/dbraw/zinc/50/21/92/1394502192.db2.gz WVJXYMFNZBDNIG-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001491682878 1394526200 /nfs/dbraw/zinc/52/62/00/1394526200.db2.gz PUNAXNXTPNFHLT-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001482000176 1394659071 /nfs/dbraw/zinc/65/90/71/1394659071.db2.gz IGCBOSNEEDFGCA-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c(C)c1 ZINC001482027990 1394686493 /nfs/dbraw/zinc/68/64/93/1394686493.db2.gz WQSOCOVKKHWGJZ-MXVIHJGJSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109190 1394751077 /nfs/dbraw/zinc/75/10/77/1394751077.db2.gz ASSLWYGMIWLWRR-HKUYNNGSSA-N 2 0 349.563 3.173 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001482222495 1394816568 /nfs/dbraw/zinc/81/65/68/1394816568.db2.gz MNOOFMBUFCANML-RTBURBONSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001482385208 1394946201 /nfs/dbraw/zinc/94/62/01/1394946201.db2.gz HIGQRKCQIXKBKU-UYAOXDASSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001482413865 1394978278 /nfs/dbraw/zinc/97/82/78/1394978278.db2.gz PNHBXZWSWVVUIO-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001482438793 1394999236 /nfs/dbraw/zinc/99/92/36/1394999236.db2.gz ZFGKGVACODPDFI-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001482438795 1394999426 /nfs/dbraw/zinc/99/94/26/1394999426.db2.gz ZFGKGVACODPDFI-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC1CC(C[NH2+]CC[C@@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001482459655 1395017950 /nfs/dbraw/zinc/01/79/50/1395017950.db2.gz ADYMBCVEZPTKFO-UUKMXZOPSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001483894216 1395132221 /nfs/dbraw/zinc/13/22/21/1395132221.db2.gz IEFLUQZTOJFMLJ-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1)[NH+](CC)CC ZINC001483945425 1395156373 /nfs/dbraw/zinc/15/63/73/1395156373.db2.gz WWDHPIALOICUDO-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC1C[NH2+]CCC1CCCCCC1 ZINC001483955572 1395161573 /nfs/dbraw/zinc/16/15/73/1395161573.db2.gz LIAXCCXANKYUFV-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CCCc1ccc(C[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)cc1 ZINC001483971988 1395169873 /nfs/dbraw/zinc/16/98/73/1395169873.db2.gz YJOGPCHQFIHRGN-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001484098476 1395249568 /nfs/dbraw/zinc/24/95/68/1395249568.db2.gz ULDKOUATXFGHRI-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CC1CCCCCC1)C2 ZINC001484321433 1395340061 /nfs/dbraw/zinc/34/00/61/1395340061.db2.gz KIZXCYLKTGTMIT-ZCNNSNEGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CC=C(C)C)cc1)[NH+](C)C ZINC001484558275 1395440500 /nfs/dbraw/zinc/44/05/00/1395440500.db2.gz CPJXWAYHTAIGBF-VQIMIIECSA-N 2 0 331.504 3.260 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001484638346 1395458146 /nfs/dbraw/zinc/45/81/46/1395458146.db2.gz AYQFVRAPJUMOPB-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CC(C)(C)C2)CC1 ZINC001484716473 1395476258 /nfs/dbraw/zinc/47/62/58/1395476258.db2.gz KPLVBCWPYYUWHT-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001484828004 1395565993 /nfs/dbraw/zinc/56/59/93/1395565993.db2.gz ZLSMSSGTVXVPIZ-CTNGQTDRSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001484829175 1395567205 /nfs/dbraw/zinc/56/72/05/1395567205.db2.gz FOEKTGPAQQSLAQ-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+](C)C)[N@H+](C)CC1CCC(C(C)(C)C)CC1 ZINC001485346761 1395820508 /nfs/dbraw/zinc/82/05/08/1395820508.db2.gz BIOGATQZRUPYKJ-AOCRQIFASA-N 2 0 339.568 3.227 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001485570359 1396035610 /nfs/dbraw/zinc/03/56/10/1396035610.db2.gz BSHRUNRSKHPYQY-LUNNPTDRSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CC3CCC3)C(C)(C)C2)CCCCC1 ZINC001486238630 1396186823 /nfs/dbraw/zinc/18/68/23/1396186823.db2.gz PYDLDSALBUIDIR-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001486239377 1396187096 /nfs/dbraw/zinc/18/70/96/1396187096.db2.gz BWGJTYPEDDOMLK-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001502519524 1396200374 /nfs/dbraw/zinc/20/03/74/1396200374.db2.gz MFJZRYJPWNKADV-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001503000444 1396239330 /nfs/dbraw/zinc/23/93/30/1396239330.db2.gz DLNKAUANUFAWSN-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1=CCCCC1 ZINC001492166182 1396311344 /nfs/dbraw/zinc/31/13/44/1396311344.db2.gz IVTHQAQDBQRQJK-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492369506 1396321484 /nfs/dbraw/zinc/32/14/84/1396321484.db2.gz HWTLMUUSOAJRLU-GOSISDBHSA-N 2 0 331.504 3.060 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001492818175 1396324993 /nfs/dbraw/zinc/32/49/93/1396324993.db2.gz ZPEZQACVQWKOSB-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001493831900 1396343551 /nfs/dbraw/zinc/34/35/51/1396343551.db2.gz QJDFTXKKMQFYBV-AZUAARDMSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001494072822 1396351393 /nfs/dbraw/zinc/35/13/93/1396351393.db2.gz GJKGRNNGGXVDIW-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001495918748 1396572442 /nfs/dbraw/zinc/57/24/42/1396572442.db2.gz KTZCATACADTEIB-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CC2CCCCC2)CCCC1 ZINC001495963802 1396579448 /nfs/dbraw/zinc/57/94/48/1396579448.db2.gz RHUILRSVDAQBGE-HDICACEKSA-N 2 0 349.563 3.458 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001496054249 1396593133 /nfs/dbraw/zinc/59/31/33/1396593133.db2.gz FAUONZYACDQKCR-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496078459 1396596221 /nfs/dbraw/zinc/59/62/21/1396596221.db2.gz DZOMZLJTILZQPZ-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496078456 1396596497 /nfs/dbraw/zinc/59/64/97/1396596497.db2.gz DZOMZLJTILZQPZ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2ccc(C)cc2)C1 ZINC001496143985 1396610044 /nfs/dbraw/zinc/61/00/44/1396610044.db2.gz GOVWJOSNRSOSMM-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001496389270 1396683448 /nfs/dbraw/zinc/68/34/48/1396683448.db2.gz KXFGULWDDVORFH-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)C)CC[N@@H+]1C ZINC001496395413 1396686164 /nfs/dbraw/zinc/68/61/64/1396686164.db2.gz FQGUPAZSEVZWQR-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CC(C)(C)C1 ZINC001496571740 1396716307 /nfs/dbraw/zinc/71/63/07/1396716307.db2.gz UEJGNSXTZPPDEC-GOSISDBHSA-N 2 0 349.563 3.029 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CCCC[NH+]2C)c1 ZINC001496730506 1396725359 /nfs/dbraw/zinc/72/53/59/1396725359.db2.gz UTZFPRFGYSGECZ-ICSRJNTNSA-N 2 0 345.531 3.239 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001689112909 1396919969 /nfs/dbraw/zinc/91/99/69/1396919969.db2.gz YQBPQDQNSVOQER-QRVBRYPASA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001689133558 1396938797 /nfs/dbraw/zinc/93/87/97/1396938797.db2.gz YUVVYWTVSINELM-SBHAEUEKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC001498483471 1397028690 /nfs/dbraw/zinc/02/86/90/1397028690.db2.gz DOAYSBVXCZLTIM-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1)C1CCC1 ZINC001498485357 1397030284 /nfs/dbraw/zinc/03/02/84/1397030284.db2.gz MCXRDVYNVLEDBJ-AZUAARDMSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699029168 1406866627 /nfs/dbraw/zinc/86/66/27/1406866627.db2.gz NNWWROKDHZHCCE-RTBURBONSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@@H](C)c2ccc(F)cc2)CC[N@@H+]1C ZINC001689803395 1404144215 /nfs/dbraw/zinc/14/42/15/1404144215.db2.gz HEMFVIZCRRDFPF-ZYSHUDEJSA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689909220 1404202048 /nfs/dbraw/zinc/20/20/48/1404202048.db2.gz MHJJVVFBAULIEB-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001690029976 1404268685 /nfs/dbraw/zinc/26/86/85/1404268685.db2.gz PLUUWMYIBLFKRO-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170851 1404368803 /nfs/dbraw/zinc/36/88/03/1404368803.db2.gz BRBSEGCUXNKQMY-RTBURBONSA-N 2 0 349.563 3.170 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690215153 1404422857 /nfs/dbraw/zinc/42/28/57/1404422857.db2.gz DJIFNZHIGRWWCP-WTGUMLROSA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215813 1404424374 /nfs/dbraw/zinc/42/43/74/1404424374.db2.gz APVPTSIQYRWMRX-BLJGWNJWSA-N 2 0 347.547 3.284 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690296363 1404456365 /nfs/dbraw/zinc/45/63/65/1404456365.db2.gz PXKDSAGGJROJAS-BZSNNMDCSA-N 2 0 331.504 3.025 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001690296364 1404456423 /nfs/dbraw/zinc/45/64/23/1404456423.db2.gz PXKDSAGGJROJAS-KZNAEPCWSA-N 2 0 331.504 3.025 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccsc2)C1)C1CCCCC1 ZINC001690349573 1404487068 /nfs/dbraw/zinc/48/70/68/1404487068.db2.gz FBGFIWOUBGCPBC-CALCHBBNSA-N 2 0 349.544 3.140 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001690420308 1404549096 /nfs/dbraw/zinc/54/90/96/1404549096.db2.gz COWIAPMUOKADBV-LJQANCHMSA-N 2 0 347.547 3.047 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2=CCCCC2)CCC1 ZINC001690471492 1404595780 /nfs/dbraw/zinc/59/57/80/1404595780.db2.gz IVWZVIYTWUXGJZ-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)c1 ZINC001690487317 1404601573 /nfs/dbraw/zinc/60/15/73/1404601573.db2.gz OLJCHCKJEIXUFN-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001690650996 1404682969 /nfs/dbraw/zinc/68/29/69/1404682969.db2.gz WHGAPDWFTKDQTH-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001690674555 1404688248 /nfs/dbraw/zinc/68/82/48/1404688248.db2.gz PFWPYEPLKGUYLW-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC1(C)CC(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001690787410 1404733951 /nfs/dbraw/zinc/73/39/51/1404733951.db2.gz IIUARCJKCPNJPT-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001690820158 1404755224 /nfs/dbraw/zinc/75/52/24/1404755224.db2.gz BOLAGSPWPTWKFU-RTBURBONSA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001690842923 1404772307 /nfs/dbraw/zinc/77/23/07/1404772307.db2.gz HOYHHNWPDJVDAT-QZTJIDSGSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](CC(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCCC1)C1CCC1 ZINC001690899146 1404807014 /nfs/dbraw/zinc/80/70/14/1404807014.db2.gz JHODGBKHCFNXSO-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690951663 1404863046 /nfs/dbraw/zinc/86/30/46/1404863046.db2.gz VDHGGBRVMOYGGM-LJQANCHMSA-N 2 0 343.515 3.062 10 0 EGAERP CC1CCC(C[N@H+](C)CCNC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001690996547 1404913126 /nfs/dbraw/zinc/91/31/26/1404913126.db2.gz JALFJHATVHOVNP-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@H+](CCNC(=O)CC[NH+]1CCCCC1)CC1CCC2(CC2)CC1 ZINC001691055972 1404976228 /nfs/dbraw/zinc/97/62/28/1404976228.db2.gz KRGZDBWKBUBYQD-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691143378 1405076134 /nfs/dbraw/zinc/07/61/34/1405076134.db2.gz PJNRJTZRGKMETD-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001691157665 1405092841 /nfs/dbraw/zinc/09/28/41/1405092841.db2.gz YNVVGMJJJZPMQE-ZWKOTPCHSA-N 2 0 345.531 3.261 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001691230857 1405170575 /nfs/dbraw/zinc/17/05/75/1405170575.db2.gz SIJDTDXHJISOLH-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP CC[C@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001691352412 1405211405 /nfs/dbraw/zinc/21/14/05/1405211405.db2.gz VTQIKJPMYVWXBC-MOPGFXCFSA-N 2 0 331.504 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392430 1405230038 /nfs/dbraw/zinc/23/00/38/1405230038.db2.gz QIEHUMOWBZAYPZ-RURPWVQCSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001691402548 1405240040 /nfs/dbraw/zinc/24/00/40/1405240040.db2.gz NBWQABXWVJYYTG-MOPGFXCFSA-N 2 0 337.552 3.218 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001691548907 1405335202 /nfs/dbraw/zinc/33/52/02/1405335202.db2.gz BXMDCDFWKIDBFA-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691632806 1405369757 /nfs/dbraw/zinc/36/97/57/1405369757.db2.gz QOGURMUONOGQJS-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1CCCC1 ZINC001691736026 1405457921 /nfs/dbraw/zinc/45/79/21/1405457921.db2.gz GOZCZJMYOHAHCR-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001691740694 1405462424 /nfs/dbraw/zinc/46/24/24/1405462424.db2.gz BOKGYKPAZAXZPU-IELZWVCUSA-N 2 0 349.563 3.432 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001691823372 1405539174 /nfs/dbraw/zinc/53/91/74/1405539174.db2.gz NKXFYSCOOANRPB-BJIFSAINSA-N 2 0 343.943 3.078 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](C[C@H](C)CC)CC(C)(C)C1 ZINC001691823298 1405539642 /nfs/dbraw/zinc/53/96/42/1405539642.db2.gz MTTKQWYRWIWSSE-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001691837941 1405550456 /nfs/dbraw/zinc/55/04/56/1405550456.db2.gz RRKPHGRKGLDRSY-XWSJACJDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001691861092 1405580384 /nfs/dbraw/zinc/58/03/84/1405580384.db2.gz QHTZYYWICFOEKU-OALUTQOASA-N 2 0 337.552 3.364 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2c(C)cccc2C)C1 ZINC001691942082 1405664345 /nfs/dbraw/zinc/66/43/45/1405664345.db2.gz LUGUCHZEDWQGMT-RBUKOAKNSA-N 2 0 345.531 3.020 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691960247 1405677353 /nfs/dbraw/zinc/67/73/53/1405677353.db2.gz NOUUBJUWXOYGDY-GHOSXJJBSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](C[NH+](C)CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001691961919 1405680313 /nfs/dbraw/zinc/68/03/13/1405680313.db2.gz SULKZWZGLUYFFD-MISYRCLQSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001692003840 1405720459 /nfs/dbraw/zinc/72/04/59/1405720459.db2.gz CTFCDZSFBHLQHU-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692128155 1405787055 /nfs/dbraw/zinc/78/70/55/1405787055.db2.gz HDHUFAHMYQFNOD-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001692150866 1405804428 /nfs/dbraw/zinc/80/44/28/1405804428.db2.gz GMHQYVJGBOLAFH-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCC(C)(C)CC2)[C@@H]1C)[NH+](C)C ZINC001692221070 1405852157 /nfs/dbraw/zinc/85/21/57/1405852157.db2.gz BYFJQJXGFYMOGM-BPQIPLTHSA-N 2 0 337.552 3.122 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692334589 1405954743 /nfs/dbraw/zinc/95/47/43/1405954743.db2.gz WMEPMUYRQXCKLX-VZSQWMKGSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)[C@@H]1C)[NH+](C)C ZINC001692388785 1405992739 /nfs/dbraw/zinc/99/27/39/1405992739.db2.gz DXUFYOJTVUJRDA-NZSAHSFTSA-N 2 0 335.536 3.042 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](CC)CC ZINC001698547337 1406144166 /nfs/dbraw/zinc/14/41/66/1406144166.db2.gz IGINNLHDJVYPOL-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698548051 1406145442 /nfs/dbraw/zinc/14/54/42/1406145442.db2.gz PUMYJHFFWXDULK-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001732038148 1428261997 /nfs/dbraw/zinc/26/19/97/1428261997.db2.gz DNMGQCRIASUFRR-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001732041583 1428271246 /nfs/dbraw/zinc/27/12/46/1428271246.db2.gz KDEHLWCBDRJQIR-FQEVSTJZSA-N 2 0 345.531 3.148 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732052404 1428293305 /nfs/dbraw/zinc/29/33/05/1428293305.db2.gz HRAJOIJQYXYWKE-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@H](C[N@H+](C)CC2CC3(CCC3)C2)C1 ZINC001732079947 1428333110 /nfs/dbraw/zinc/33/31/10/1428333110.db2.gz ITUPJBCFFIDTBB-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001732163843 1428406288 /nfs/dbraw/zinc/40/62/88/1428406288.db2.gz WCMHRJFMPDRXCU-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCC(C)(C)C ZINC001732205152 1428454852 /nfs/dbraw/zinc/45/48/52/1428454852.db2.gz HTSBMQKQTYBROI-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732212162 1428460241 /nfs/dbraw/zinc/46/02/41/1428460241.db2.gz PRWUHGRXIFBBJQ-ZCLAENRFSA-N 2 0 341.515 3.040 10 0 EGAERP CC[C@@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001732218125 1428466060 /nfs/dbraw/zinc/46/60/60/1428466060.db2.gz SPMKNQLRKHDRLN-HKUYNNGSSA-N 2 0 345.531 3.136 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC1CCCCCC1 ZINC001732219739 1428467835 /nfs/dbraw/zinc/46/78/35/1428467835.db2.gz AWHIGNIUOQUVOY-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221873 1428470507 /nfs/dbraw/zinc/47/05/07/1428470507.db2.gz HHXKRIPGIKFXLY-AZUAARDMSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@](C)(C[NH2+]CC2CC(C)(C)C2)C2CC2)CC[N@@H+]1C ZINC001732248362 1428491247 /nfs/dbraw/zinc/49/12/47/1428491247.db2.gz IYXQZYFMWHAPIU-HZUJVAHNSA-N 2 0 349.563 3.027 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001732271337 1428507491 /nfs/dbraw/zinc/50/74/91/1428507491.db2.gz FXILTTBFECOZMA-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001732298131 1428518465 /nfs/dbraw/zinc/51/84/65/1428518465.db2.gz SULKSZKAQUAUPC-WAYWQWQTSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001732310054 1428523745 /nfs/dbraw/zinc/52/37/45/1428523745.db2.gz HLORFUFYZRZGJO-BJLQDIEVSA-N 2 0 347.547 3.377 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001732310060 1428523832 /nfs/dbraw/zinc/52/38/32/1428523832.db2.gz LQLNAKLIRBAYCA-BHIYHBOVSA-N 2 0 331.504 3.025 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001732317071 1428527942 /nfs/dbraw/zinc/52/79/42/1428527942.db2.gz NEDRTRMLAGTMSP-PMACEKPBSA-N 2 0 345.531 3.313 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)cc1 ZINC001732317073 1428528000 /nfs/dbraw/zinc/52/80/00/1428528000.db2.gz NEDRTRMLAGTMSP-UXHICEINSA-N 2 0 345.531 3.313 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001732317464 1428528272 /nfs/dbraw/zinc/52/82/72/1428528272.db2.gz JHPVNDOZLWNIFI-UHFFFAOYSA-N 2 0 336.439 3.072 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC1CC[NH+](CCC2CCCCC2)CC1 ZINC001732325601 1428534088 /nfs/dbraw/zinc/53/40/88/1428534088.db2.gz WNJKHPQPQFBCMY-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001732328698 1428535581 /nfs/dbraw/zinc/53/55/81/1428535581.db2.gz GIPHFKRHTQUTLP-YSKLNCTFSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)CC)CC2 ZINC001732331726 1428537822 /nfs/dbraw/zinc/53/78/22/1428537822.db2.gz RTIPQQWHXWFKDO-FPLPWBNLSA-N 2 0 349.563 3.389 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CCCC1 ZINC001732392975 1428561710 /nfs/dbraw/zinc/56/17/10/1428561710.db2.gz XSUKARCZKXAIDW-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001732444146 1428583699 /nfs/dbraw/zinc/58/36/99/1428583699.db2.gz YYMXCBQABXDYTI-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732459933 1428592153 /nfs/dbraw/zinc/59/21/53/1428592153.db2.gz NCPNCGDIHRNQKR-ROUUACIJSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732470021 1428598540 /nfs/dbraw/zinc/59/85/40/1428598540.db2.gz PRTOSJXSGZVAKQ-ROUUACIJSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)c1ccc(C[NH2+]CC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001699105893 1412513270 /nfs/dbraw/zinc/51/32/70/1412513270.db2.gz KDHRIAUESDDXJN-KRWDZBQOSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699109308 1412514778 /nfs/dbraw/zinc/51/47/78/1412514778.db2.gz HIWFBZIWXLLGDD-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158525 1412542438 /nfs/dbraw/zinc/54/24/38/1412542438.db2.gz FTHLHAZTZXYCAN-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699189229 1412561800 /nfs/dbraw/zinc/56/18/00/1412561800.db2.gz BPKFXFJSQUHJPY-UHFFFAOYSA-N 2 0 345.531 3.278 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1)c1cccc(Cl)c1 ZINC001699268268 1412605961 /nfs/dbraw/zinc/60/59/61/1412605961.db2.gz VLSBULBAHWKXHE-BWPKMQGJSA-N 2 0 349.906 3.147 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001699432721 1412751062 /nfs/dbraw/zinc/75/10/62/1412751062.db2.gz DGWTXNNGCRKFSW-PKOBYXMFSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)cc1C ZINC001699474177 1412862843 /nfs/dbraw/zinc/86/28/43/1412862843.db2.gz KFWFIXGJIFDIKO-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CN(CCC[NH2+]CC1CC(C)(C)C1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001699550659 1412919592 /nfs/dbraw/zinc/91/95/92/1412919592.db2.gz GVMQTYLMIGLLQA-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP CC[C@@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001699688639 1413089934 /nfs/dbraw/zinc/08/99/34/1413089934.db2.gz HJKHVHKDRFVLOZ-QGZVFWFLSA-N 2 0 349.563 3.077 10 0 EGAERP CCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2)C1 ZINC001699695108 1413103610 /nfs/dbraw/zinc/10/36/10/1413103610.db2.gz LAKUYOPAYGYZFR-UYAOXDASSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1)[NH+](C)C ZINC001699771252 1413177744 /nfs/dbraw/zinc/17/77/44/1413177744.db2.gz UKIGMEZLHIZHEJ-DAWZGUTISA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001699772860 1413180134 /nfs/dbraw/zinc/18/01/34/1413180134.db2.gz DKZGMUVRADFJKS-LSLCWXNRSA-N 2 0 347.547 3.330 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1 ZINC001699773787 1413182205 /nfs/dbraw/zinc/18/22/05/1413182205.db2.gz FRSARIVEJHGYMK-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001699845639 1413274852 /nfs/dbraw/zinc/27/48/52/1413274852.db2.gz BNZQMQRYKCNXOI-MHVQWJQTSA-N 2 0 349.563 3.293 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2(C)CC[NH+](CCC(C)(C)C)CC2)CCC1 ZINC001699862133 1413297001 /nfs/dbraw/zinc/29/70/01/1413297001.db2.gz OOWFNVURNJBRDO-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001699863616 1413299294 /nfs/dbraw/zinc/29/92/94/1413299294.db2.gz CBDXASSCFLAXHX-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CC1CCC1 ZINC001699964291 1413404495 /nfs/dbraw/zinc/40/44/95/1413404495.db2.gz YHNPORPIFJZBLQ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@H]3[C@H]2CCCN3C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001700012247 1413455225 /nfs/dbraw/zinc/45/52/25/1413455225.db2.gz LYWLWXASOBJQIC-GMNCBBECSA-N 2 0 349.563 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCC3=CCCCC3)C[C@H]21 ZINC001700020402 1413467521 /nfs/dbraw/zinc/46/75/21/1413467521.db2.gz SWBPJSLOEMWLPX-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@H](C(=O)NCc1ccc([C@H](C)[NH2+]CCF)cc1)[NH+]1CCCC1 ZINC001700100529 1413517516 /nfs/dbraw/zinc/51/75/16/1413517516.db2.gz VRTGSFQWEUDONA-QFBILLFUSA-N 2 0 349.494 3.043 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)[NH+]1CCCCC1 ZINC001700133486 1413550412 /nfs/dbraw/zinc/55/04/12/1413550412.db2.gz WTVAHSQZFMVNOU-UHFFFAOYSA-N 2 0 347.547 3.380 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001700142138 1413564520 /nfs/dbraw/zinc/56/45/20/1413564520.db2.gz POBDJTGZYFWGAP-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700199724 1413642985 /nfs/dbraw/zinc/64/29/85/1413642985.db2.gz ZCNGJDFIXRKWRN-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC)([NH2+]CC=C(C)C)CC2)CC[N@@H+]1C ZINC001700219918 1413665606 /nfs/dbraw/zinc/66/56/06/1413665606.db2.gz LRBRGUIFGOIQMK-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP CC1([NH2+]CCCC2CCCC2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001700286388 1413733555 /nfs/dbraw/zinc/73/35/55/1413733555.db2.gz QYRAOKMJTXXHDX-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001700286413 1413733739 /nfs/dbraw/zinc/73/37/39/1413733739.db2.gz RSNPXWHLEYXXDH-PWBPZBFBSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1c(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@H](C)F)ccc2c[nH+]cn21 ZINC001700442585 1414015232 /nfs/dbraw/zinc/01/52/32/1414015232.db2.gz HBXPZHJWVGZHHV-AWEZNQCLSA-N 2 0 348.466 3.079 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)CC1CCCC1 ZINC001700464120 1414067675 /nfs/dbraw/zinc/06/76/75/1414067675.db2.gz PPSBXWNJTOJGGZ-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001700474427 1414097553 /nfs/dbraw/zinc/09/75/53/1414097553.db2.gz OOOYDBDGCXCLRY-QZTJIDSGSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)CCC(C)(C)C ZINC001700482110 1414121758 /nfs/dbraw/zinc/12/17/58/1414121758.db2.gz XCJMRRYGQQZUOJ-INIZCTEOSA-N 2 0 333.520 3.235 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CCC(C)(C)C)[NH+]1CCCCC1 ZINC001700487133 1414135016 /nfs/dbraw/zinc/13/50/16/1414135016.db2.gz IOYXGOQZDDGFGI-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CCCC[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700517192 1414169711 /nfs/dbraw/zinc/16/97/11/1414169711.db2.gz JJTCHCPRLKMRSM-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001700545547 1414214262 /nfs/dbraw/zinc/21/42/62/1414214262.db2.gz JGCIKNTUSCQTAN-MJIPRMEISA-N 2 0 349.563 3.432 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001700620498 1414289952 /nfs/dbraw/zinc/28/99/52/1414289952.db2.gz WDOZDHJGBFKCNO-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001700644688 1414310118 /nfs/dbraw/zinc/31/01/18/1414310118.db2.gz ZUPWGMBEABQHSI-MKXGPGLRSA-N 2 0 337.552 3.027 10 0 EGAERP CN(C(=O)[C@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CCCC1CCCC1)C1CC1 ZINC001700724871 1414386254 /nfs/dbraw/zinc/38/62/54/1414386254.db2.gz MUIMXMVUVZIMIP-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)c1ccc(CC[NH+](C)C)cc1)[NH2+]CC1CCCC1 ZINC001700770996 1414448285 /nfs/dbraw/zinc/44/82/85/1414448285.db2.gz RFVQTKNOTGVUIK-KRWDZBQOSA-N 2 0 345.531 3.031 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@H]12 ZINC001700862127 1414511538 /nfs/dbraw/zinc/51/15/38/1414511538.db2.gz ANQMIJKPEOJVOY-FXAWDEMLSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)CCC[C@H]12 ZINC001700862684 1414511648 /nfs/dbraw/zinc/51/16/48/1414511648.db2.gz HZKCHKNIVVPCND-VNYTWHDVSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001700880813 1414536807 /nfs/dbraw/zinc/53/68/07/1414536807.db2.gz HENFIJDQTZWAOL-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001700923667 1414576212 /nfs/dbraw/zinc/57/62/12/1414576212.db2.gz OXNVFTTWVMMRMD-LXORQPIJSA-N 2 0 349.563 3.434 10 0 EGAERP CCCC[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001700975319 1414609263 /nfs/dbraw/zinc/60/92/63/1414609263.db2.gz MBTZXIAAKIZEGQ-GOSISDBHSA-N 2 0 325.541 3.220 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C(C)(C)C ZINC001700985986 1414627653 /nfs/dbraw/zinc/62/76/53/1414627653.db2.gz WZVHITOFGFRRCK-KSZLIROESA-N 2 0 339.568 3.273 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001701008717 1414666420 /nfs/dbraw/zinc/66/64/20/1414666420.db2.gz XSSODQYSSFQIJD-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1F)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732775375 1428962896 /nfs/dbraw/zinc/96/28/96/1428962896.db2.gz QWJLGUXJTKHACL-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CCN(CC[NH2+]CCCC(C)(C)C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC001732812207 1428990098 /nfs/dbraw/zinc/99/00/98/1428990098.db2.gz MIOVBESALAYYNO-CALCHBBNSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C[N@H+](C)C1CCC1)c1ccccc1Cl ZINC001732863239 1429015899 /nfs/dbraw/zinc/01/58/99/1429015899.db2.gz QKSBTXMTGMCJGY-NFAHFFEMSA-N 2 0 349.906 3.147 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001732941933 1429066407 /nfs/dbraw/zinc/06/64/07/1429066407.db2.gz HYQISBWNJPONJP-QWCIBIBSSA-N 2 0 343.515 3.130 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732954161 1429078100 /nfs/dbraw/zinc/07/81/00/1429078100.db2.gz MZMMNLLPYYLNAC-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732995972 1429119903 /nfs/dbraw/zinc/11/99/03/1429119903.db2.gz BHTOYYUHRQHVDH-KRWDZBQOSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733010455 1429129756 /nfs/dbraw/zinc/12/97/56/1429129756.db2.gz XIUVOQUQZLUOIC-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001707117608 1417208557 /nfs/dbraw/zinc/20/85/57/1417208557.db2.gz XCUFKXSQPMEDLZ-FGTMMUONSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001707193756 1417239589 /nfs/dbraw/zinc/23/95/89/1417239589.db2.gz SKRLVYMUGZHSCR-HWYAZIHESA-N 2 0 347.547 3.044 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001707242833 1417262702 /nfs/dbraw/zinc/26/27/02/1417262702.db2.gz XAVUCJRGPIRNEX-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]Cc2ccccc2C)C1 ZINC001707244578 1417263124 /nfs/dbraw/zinc/26/31/24/1417263124.db2.gz IXYIFZRIEZQTSR-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)[C@H]1C ZINC001707268711 1417275961 /nfs/dbraw/zinc/27/59/61/1417275961.db2.gz BDVZREQKYJCVNZ-XZZFYQAUSA-N 2 0 343.515 3.054 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001707281280 1417291878 /nfs/dbraw/zinc/29/18/78/1417291878.db2.gz HMXSGISWRUBSMF-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CC(C[N@H+](C)CCCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001707400628 1417314320 /nfs/dbraw/zinc/31/43/20/1417314320.db2.gz RXLUHRHQAFJGHH-QLOJAFMTSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001712998061 1417550223 /nfs/dbraw/zinc/55/02/23/1417550223.db2.gz CBHOEHBNCSWCIA-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@H](C)c1cccc(C)c1 ZINC001713013410 1417567424 /nfs/dbraw/zinc/56/74/24/1417567424.db2.gz WVRGMONDWPKBMA-QWFCFKBJSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC001713018991 1417571678 /nfs/dbraw/zinc/57/16/78/1417571678.db2.gz CDUAUIYOZCMBNV-GOSISDBHSA-N 2 0 345.531 3.450 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001713095794 1417644769 /nfs/dbraw/zinc/64/47/69/1417644769.db2.gz SELMQFYFSHQIML-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713096440 1417646005 /nfs/dbraw/zinc/64/60/05/1417646005.db2.gz YMENPJVBFCEPFG-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001713111734 1417673681 /nfs/dbraw/zinc/67/36/81/1417673681.db2.gz LWXCEBTZKLKYSS-HMECNJMJSA-N 2 0 340.471 3.097 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001713201459 1417771686 /nfs/dbraw/zinc/77/16/86/1417771686.db2.gz UABCROADFGVBMX-OAOYMFHYSA-N 2 0 349.494 3.244 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713217575 1417796099 /nfs/dbraw/zinc/79/60/99/1417796099.db2.gz FLQXVKICQKOXPB-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733064920 1429218277 /nfs/dbraw/zinc/21/82/77/1429218277.db2.gz DBESTUUYIRTNEE-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001713342275 1417964761 /nfs/dbraw/zinc/96/47/61/1417964761.db2.gz GDSDMEOCPSTERS-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001733073944 1429228872 /nfs/dbraw/zinc/22/88/72/1429228872.db2.gz GYHXEOWWFAAEQG-ROUUACIJSA-N 2 0 335.536 3.070 10 0 EGAERP CC[C@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713397264 1418015374 /nfs/dbraw/zinc/01/53/74/1418015374.db2.gz IOTJYDZQSNHUFR-OALUTQOASA-N 2 0 349.494 3.033 10 0 EGAERP CCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001733075050 1429229892 /nfs/dbraw/zinc/22/98/92/1429229892.db2.gz KMGCOARXCJBYRD-AZUAARDMSA-N 2 0 345.531 3.079 10 0 EGAERP CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733076179 1429230994 /nfs/dbraw/zinc/23/09/94/1429230994.db2.gz NWXPIVZHUCQSCQ-AEFFLSMTSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]Cc1ccsc1 ZINC001713423034 1418049084 /nfs/dbraw/zinc/04/90/84/1418049084.db2.gz FYWANMCHHYDDNK-OAHLLOKOSA-N 2 0 345.512 3.108 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001713473285 1418147981 /nfs/dbraw/zinc/14/79/81/1418147981.db2.gz SXDCLMNTDXEPSK-QZTJIDSGSA-N 2 0 345.531 3.261 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)CCC1=CCCCC1 ZINC001713496229 1418205394 /nfs/dbraw/zinc/20/53/94/1418205394.db2.gz NLGSVXGZLBLMKC-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001733101268 1429242714 /nfs/dbraw/zinc/24/27/14/1429242714.db2.gz UHHTZDOZOKTALE-GOSISDBHSA-N 2 0 345.531 3.450 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733131295 1429255938 /nfs/dbraw/zinc/25/59/38/1429255938.db2.gz QBJXXDCMWISWSR-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCCCCC1 ZINC001713710591 1418470401 /nfs/dbraw/zinc/47/04/01/1418470401.db2.gz MXKNLHBEXXKWFV-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713771971 1418587395 /nfs/dbraw/zinc/58/73/95/1418587395.db2.gz KRJCBIORQMNZKN-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001713793277 1418611759 /nfs/dbraw/zinc/61/17/59/1418611759.db2.gz XDIPBLAXJGJCRT-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001713900906 1418700804 /nfs/dbraw/zinc/70/08/04/1418700804.db2.gz ZIEATEMJGFOPAD-CTNGQTDRSA-N 2 0 349.563 3.079 10 0 EGAERP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001713951516 1418735252 /nfs/dbraw/zinc/73/52/52/1418735252.db2.gz YTCYMVBIYUQLCF-QWFCFKBJSA-N 2 0 347.547 3.211 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713968933 1418747844 /nfs/dbraw/zinc/74/78/44/1418747844.db2.gz RQAAUHHRUMBJFK-OISZBXDOSA-N 2 0 335.536 3.090 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001713973503 1418752779 /nfs/dbraw/zinc/75/27/79/1418752779.db2.gz URWCESCIPUXRJL-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713987384 1418764698 /nfs/dbraw/zinc/76/46/98/1418764698.db2.gz NYWYESBWRVUMNF-OKZBNKHCSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)C)C1 ZINC001714063936 1418860723 /nfs/dbraw/zinc/86/07/23/1418860723.db2.gz IXOJKEMJQVQIES-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001714071171 1418866888 /nfs/dbraw/zinc/86/68/88/1418866888.db2.gz LGNGNNSNBVCTHW-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714079289 1418873497 /nfs/dbraw/zinc/87/34/97/1418873497.db2.gz HSEJVCRNTMMWQM-QOJNPXKOSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH2+]Cc2ccccc2)C1)[NH+](CC)CC ZINC001714080339 1418874221 /nfs/dbraw/zinc/87/42/21/1418874221.db2.gz UKKVJMLBLZFXCN-UXHICEINSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001714124706 1418929118 /nfs/dbraw/zinc/92/91/18/1418929118.db2.gz GDPMOIVXVCACIQ-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714142190 1418944507 /nfs/dbraw/zinc/94/45/07/1418944507.db2.gz QBWAYORFPKRIOI-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714143337 1418946267 /nfs/dbraw/zinc/94/62/67/1418946267.db2.gz AREDQGDKVFDNMJ-RTBURBONSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001714177947 1418985959 /nfs/dbraw/zinc/98/59/59/1418985959.db2.gz PIPLXKZEPDDWEN-FQEVSTJZSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+](C)C ZINC001714188287 1418995171 /nfs/dbraw/zinc/99/51/71/1418995171.db2.gz LOSPKLKFYQLLLD-NQIIRXRSSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H](C)c2cccc(F)c2)CC1 ZINC001714200171 1419004521 /nfs/dbraw/zinc/00/45/21/1419004521.db2.gz OGJALTHEPCFBNC-MNNVXMFVSA-N 2 0 349.494 3.244 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714228172 1419021488 /nfs/dbraw/zinc/02/14/88/1419021488.db2.gz BZPDLOZVYTUXOP-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C)C[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714268170 1419048936 /nfs/dbraw/zinc/04/89/36/1419048936.db2.gz LAZPDYOFBXLBEO-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@H]1CC ZINC001733202189 1429307438 /nfs/dbraw/zinc/30/74/38/1429307438.db2.gz VXBILOKNXNXZMV-LXORQPIJSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001714330231 1419109511 /nfs/dbraw/zinc/10/95/11/1419109511.db2.gz GKDCHESKBQKYCH-FQEVSTJZSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CC(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001714331313 1419111068 /nfs/dbraw/zinc/11/10/68/1419111068.db2.gz VVOPVICFWSULHQ-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001714359231 1419121806 /nfs/dbraw/zinc/12/18/06/1419121806.db2.gz POSFOSXDIODCEZ-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C[NH2+]CCCC(C)(C)C ZINC001714433253 1419165795 /nfs/dbraw/zinc/16/57/95/1419165795.db2.gz BDKWSKCVOPXOHD-ZWKOTPCHSA-N 2 0 339.568 3.419 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001714507323 1419234438 /nfs/dbraw/zinc/23/44/38/1419234438.db2.gz WZLJTESGLCHTHO-AATRIKPKSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001714512758 1419239888 /nfs/dbraw/zinc/23/98/88/1419239888.db2.gz OMMKWYAZGWCMDL-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714516217 1419243178 /nfs/dbraw/zinc/24/31/78/1419243178.db2.gz BRRGPTUEYSNRNP-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@@H+]1CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001733210647 1429321886 /nfs/dbraw/zinc/32/18/86/1429321886.db2.gz LFYOOYSCWFVDOT-GOSISDBHSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@H](C)c1cccc(C)c1 ZINC001714585110 1419326103 /nfs/dbraw/zinc/32/61/03/1419326103.db2.gz WCBGHDLPMISISF-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001714641078 1419412983 /nfs/dbraw/zinc/41/29/83/1419412983.db2.gz UQHCYZZNUBEJOK-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)CC1CC(C)(C)C1 ZINC001714655451 1419436488 /nfs/dbraw/zinc/43/64/88/1419436488.db2.gz OUZQIONBIDCCAW-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CCc2ccccc21)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714754009 1419495072 /nfs/dbraw/zinc/49/50/72/1419495072.db2.gz WWTKCZIECNUSBY-VQIMIIECSA-N 2 0 345.531 3.088 10 0 EGAERP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001714762315 1419497913 /nfs/dbraw/zinc/49/79/13/1419497913.db2.gz GOXQIXZTJPWZFW-GOSISDBHSA-N 2 0 345.531 3.062 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001714815357 1419526241 /nfs/dbraw/zinc/52/62/41/1419526241.db2.gz FLSVZYMZKKFOFZ-ROUUACIJSA-N 2 0 333.520 3.143 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001714821486 1419531824 /nfs/dbraw/zinc/53/18/24/1419531824.db2.gz RVYFVPLRCWSKKP-GGVAOPBYSA-N 2 0 349.563 3.434 10 0 EGAERP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714857362 1419575964 /nfs/dbraw/zinc/57/59/64/1419575964.db2.gz WYYFXSAFATXFHN-FQEVSTJZSA-N 2 0 347.547 3.284 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001714866722 1419594467 /nfs/dbraw/zinc/59/44/67/1419594467.db2.gz ATZHNMBZRPAFBV-IAGOWNOFSA-N 2 0 349.494 3.151 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714872454 1419604237 /nfs/dbraw/zinc/60/42/37/1419604237.db2.gz TZGYAYOPOJUJPO-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCC1)NC(=O)CC1CC[NH+](C)CC1 ZINC001714924712 1419677777 /nfs/dbraw/zinc/67/77/77/1419677777.db2.gz COEKGAGNVLWFSI-LJQANCHMSA-N 2 0 337.552 3.029 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H](C[NH2+]CCC2CC2)C2CCCCC2)CC1 ZINC001714977844 1419712086 /nfs/dbraw/zinc/71/20/86/1419712086.db2.gz JFMTYBMOPBFVGE-FQEVSTJZSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CC[N@@H+]1CC1CCCCCC1)[NH+]1CCCC1 ZINC001733238511 1429379509 /nfs/dbraw/zinc/37/95/09/1429379509.db2.gz UNIYVJUZGCBLMJ-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001715189549 1419921852 /nfs/dbraw/zinc/92/18/52/1419921852.db2.gz HMXCZUPGJPCUPS-ZFTSPJNCSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)=CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1 ZINC001715196632 1419928455 /nfs/dbraw/zinc/92/84/55/1419928455.db2.gz QKBSSQJVWUOYOO-FQEVSTJZSA-N 2 0 343.515 3.231 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(CCNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001715202274 1419935552 /nfs/dbraw/zinc/93/55/52/1419935552.db2.gz PNWGIOWGKYKSEH-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@@H]2CC[NH2+]CCCF)c1 ZINC001715255224 1419978290 /nfs/dbraw/zinc/97/82/90/1419978290.db2.gz SQFVHFLBNXEPGV-LJQANCHMSA-N 2 0 349.494 3.082 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001715272041 1419987530 /nfs/dbraw/zinc/98/75/30/1419987530.db2.gz LLGSDNCTGUNFDR-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715313767 1420023141 /nfs/dbraw/zinc/02/31/41/1420023141.db2.gz JIEBNVKFDZSPEX-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001715321035 1420028942 /nfs/dbraw/zinc/02/89/42/1420028942.db2.gz MPICRFHXLOWGPN-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001715342636 1420045503 /nfs/dbraw/zinc/04/55/03/1420045503.db2.gz ZXWOTFUMLRCRKE-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715387632 1420084541 /nfs/dbraw/zinc/08/45/41/1420084541.db2.gz FPEMCLRXSZQHQT-IHPCNDPISA-N 2 0 349.563 3.338 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715402778 1420101766 /nfs/dbraw/zinc/10/17/66/1420101766.db2.gz XFJGCXVSHPRHTA-DUFRMZEJSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CCCCCC2)[C@H](C)C1 ZINC001715413809 1420109036 /nfs/dbraw/zinc/10/90/36/1420109036.db2.gz JGKDMQCAMUMNSK-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@@H]1C[NH2+]CC1CCCC1 ZINC001715438236 1420123816 /nfs/dbraw/zinc/12/38/16/1420123816.db2.gz OEVSULQXNDBSLR-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445570 1420129946 /nfs/dbraw/zinc/12/99/46/1420129946.db2.gz JNZGIUQQFBGZRZ-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001715464254 1420143778 /nfs/dbraw/zinc/14/37/78/1420143778.db2.gz YVTWFLKLQSXUCR-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001715508443 1420192053 /nfs/dbraw/zinc/19/20/53/1420192053.db2.gz QJEPXDKSXFQPLC-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CCN(CC[NH2+]CC1CC(C)C1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715735939 1420318106 /nfs/dbraw/zinc/31/81/06/1420318106.db2.gz XQJHCYVHSYAYFT-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916496 1420395817 /nfs/dbraw/zinc/39/58/17/1420395817.db2.gz YDEZQMYAZLTAER-IDOMTICXSA-N 2 0 347.478 3.025 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715930310 1420403075 /nfs/dbraw/zinc/40/30/75/1420403075.db2.gz TYQFDZDYGDAMHV-IFOCYFHOSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716145713 1420541206 /nfs/dbraw/zinc/54/12/06/1420541206.db2.gz KTGYNNPUEDBCBE-LPHOPBHVSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)C[NH+]1CCCC1 ZINC001716423295 1420651148 /nfs/dbraw/zinc/65/11/48/1420651148.db2.gz LZDKYGWBIFAMNA-IAGOWNOFSA-N 2 0 345.531 3.235 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001716424251 1420651671 /nfs/dbraw/zinc/65/16/71/1420651671.db2.gz BHIHXWGWFHEZCX-MJGOQNOKSA-N 2 0 349.563 3.172 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001716447631 1420664954 /nfs/dbraw/zinc/66/49/54/1420664954.db2.gz JBMMYZRXTHBWRL-KRWDZBQOSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001716458660 1420672192 /nfs/dbraw/zinc/67/21/92/1420672192.db2.gz SFQQOOUTTDBHKX-KRWDZBQOSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](C[N@H+](C)[C@@H]1CCCc2ccccc21)NC(=O)CCCC[NH+](C)C ZINC001716500562 1420727108 /nfs/dbraw/zinc/72/71/08/1420727108.db2.gz FMYKEGVADQMQCG-FXAWDEMLSA-N 2 0 345.531 3.232 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCC1CCCCC1 ZINC001716507700 1420739293 /nfs/dbraw/zinc/73/92/93/1420739293.db2.gz GDIIKFGDURBXEF-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N(C)CCC[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001716568979 1420763267 /nfs/dbraw/zinc/76/32/67/1420763267.db2.gz ZKBCGINNFWNHGV-FQEVSTJZSA-N 2 0 341.499 3.118 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001716570998 1420763970 /nfs/dbraw/zinc/76/39/70/1420763970.db2.gz VXJLYFDKJRYMKT-LJQANCHMSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)(C(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C1CC1)[NH+]1CCCC1 ZINC001716617539 1420780761 /nfs/dbraw/zinc/78/07/61/1420780761.db2.gz LIUNPAQXANGAQJ-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716657716 1420811297 /nfs/dbraw/zinc/81/12/97/1420811297.db2.gz RDYRAYHTFULKRF-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@@]2(C1)CCC[N@H+](CCC1=CCCCC1)C2 ZINC001716724597 1420882697 /nfs/dbraw/zinc/88/26/97/1420882697.db2.gz JUJNMYOETJUMPJ-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H](C)C2)cc1 ZINC001716770189 1420914634 /nfs/dbraw/zinc/91/46/34/1420914634.db2.gz WMKYCKYTHSRLFH-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001716799459 1420932683 /nfs/dbraw/zinc/93/26/83/1420932683.db2.gz FQNXERVQQHVUMC-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001716848292 1420976222 /nfs/dbraw/zinc/97/62/22/1420976222.db2.gz ARTMQDUHDTZQDI-NQIIRXRSSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716851793 1420982527 /nfs/dbraw/zinc/98/25/27/1420982527.db2.gz RVMORVBVPJPLKQ-ROUKRRSUSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@]1(NC(=O)CCCC[NH+]2CCCC2)CC[N@H+](CC2=CCCCC2)C1 ZINC001716853714 1420984698 /nfs/dbraw/zinc/98/46/98/1420984698.db2.gz HAKXVUJJVRLBST-OAQYLSRUSA-N 2 0 347.547 3.334 10 0 EGAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001716880769 1421005066 /nfs/dbraw/zinc/00/50/66/1421005066.db2.gz TUCVVAJDWPVNGZ-CTNGQTDRSA-N 2 0 345.531 3.308 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@]2(C)CCC[NH+](CCC3CC3)C2)C1 ZINC001716897839 1421026485 /nfs/dbraw/zinc/02/64/85/1421026485.db2.gz KFWZBALDTWBYPI-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@]2(C)CCC[NH+](CCC3CCCC3)C2)C1 ZINC001716901462 1421032938 /nfs/dbraw/zinc/03/29/38/1421032938.db2.gz IRCILQDAWGUZMT-TZIWHRDSSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CC(C)(C)C1)C2 ZINC001716951795 1421047850 /nfs/dbraw/zinc/04/78/50/1421047850.db2.gz OFEABZSAPLCOEX-WDSOQIARSA-N 2 0 349.563 3.124 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]C(C)C ZINC001716954925 1421050223 /nfs/dbraw/zinc/05/02/23/1421050223.db2.gz FAHNZTJQYMJTDF-HXUWFJFHSA-N 2 0 345.531 3.280 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)[C@@H]1CCCC[N@H+]1CC)[NH2+]C(C)C ZINC001716955962 1421050795 /nfs/dbraw/zinc/05/07/95/1421050795.db2.gz UFNIESNKRZPRHB-PMACEKPBSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001716968692 1421056176 /nfs/dbraw/zinc/05/61/76/1421056176.db2.gz DMOLBNRGCZPOBU-ROUUACIJSA-N 2 0 339.568 3.227 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2CCCC2)CC1)[NH+](C)C ZINC001717003188 1421072478 /nfs/dbraw/zinc/07/24/78/1421072478.db2.gz PQJCXYOGJWIFCI-FHWLQOOXSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001717117060 1421121194 /nfs/dbraw/zinc/12/11/94/1421121194.db2.gz ZOEUGZDHOFACRI-KRWDZBQOSA-N 2 0 345.531 3.341 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001717117996 1421122771 /nfs/dbraw/zinc/12/27/71/1421122771.db2.gz JEQFOFKUHAJERV-QGZVFWFLSA-N 2 0 343.515 3.095 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717122569 1421125312 /nfs/dbraw/zinc/12/53/12/1421125312.db2.gz FYZYOSGULCNARI-WDSOQIARSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCC1CCC1)CC2 ZINC001717129934 1421130949 /nfs/dbraw/zinc/13/09/49/1421130949.db2.gz IHDGFYALCODXNQ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001733286675 1429461339 /nfs/dbraw/zinc/46/13/39/1429461339.db2.gz BNZKDDQAVDUWHS-YAQIIAKESA-N 2 0 349.563 3.389 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717238180 1421206354 /nfs/dbraw/zinc/20/63/54/1421206354.db2.gz MGOXQNUNPOWIPZ-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717242777 1421211420 /nfs/dbraw/zinc/21/14/20/1421211420.db2.gz MPFXEGXNDCGXFN-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001733288191 1429465022 /nfs/dbraw/zinc/46/50/22/1429465022.db2.gz UNAKEVBRCCFXDI-TZIWHRDSSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)C[C@@H]1C ZINC001717339129 1421277567 /nfs/dbraw/zinc/27/75/67/1421277567.db2.gz MMZWAPQRYKCRAS-DHJFXDNESA-N 2 0 335.536 3.188 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001717370196 1421307886 /nfs/dbraw/zinc/30/78/86/1421307886.db2.gz CUWUAGCCWUUULE-WDSOQIARSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccc(C[NH+](C)C[C@@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)cc1C ZINC001717376394 1421318290 /nfs/dbraw/zinc/31/82/90/1421318290.db2.gz PZDKSOXIZXMZQY-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001717432013 1421360268 /nfs/dbraw/zinc/36/02/68/1421360268.db2.gz AJMMJHDSGXRDEY-HZPDHXFCSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC(C)(C)C ZINC001717513554 1421450734 /nfs/dbraw/zinc/45/07/34/1421450734.db2.gz XBVWNPPFYXZSPI-KZNAEPCWSA-N 2 0 339.568 3.226 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001717523356 1421458970 /nfs/dbraw/zinc/45/89/70/1421458970.db2.gz OIDAUQHFTKXCES-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CC3CCCCC3)CCCCC2)CC1 ZINC001717527627 1421463429 /nfs/dbraw/zinc/46/34/29/1421463429.db2.gz WANZHNOIOPUZLN-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001717531495 1421468080 /nfs/dbraw/zinc/46/80/80/1421468080.db2.gz LYDVWFGEXVJFFU-WDSOQIARSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001717583593 1421510362 /nfs/dbraw/zinc/51/03/62/1421510362.db2.gz GOFVBXKEDCEJCK-GIFJBRJJSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[NH+]1C[C@@]2(C)CN(C(=O)CC[N@@H+](C)CCC)C[C@@]2(C)C1 ZINC001717632596 1421542432 /nfs/dbraw/zinc/54/24/32/1421542432.db2.gz NMOSOOUJYKLEOF-WLBWCIJCSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001717705165 1421579778 /nfs/dbraw/zinc/57/97/78/1421579778.db2.gz ILVUICAZQLMIFP-PKOBYXMFSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744404 1421607926 /nfs/dbraw/zinc/60/79/26/1421607926.db2.gz AQPWTDGJMWQQJM-LPHOPBHVSA-N 2 0 349.494 3.025 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744403 1421607950 /nfs/dbraw/zinc/60/79/50/1421607950.db2.gz AQPWTDGJMWQQJM-APWZRJJASA-N 2 0 349.494 3.025 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717825253 1421640179 /nfs/dbraw/zinc/64/01/79/1421640179.db2.gz DFYAHHIDOOUYLC-BUPXIBQPSA-N 2 0 335.536 3.042 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001717839913 1421654426 /nfs/dbraw/zinc/65/44/26/1421654426.db2.gz DPNYMUGIIQWVLP-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001717840817 1421655281 /nfs/dbraw/zinc/65/52/81/1421655281.db2.gz LIMOPABAKDNCKS-ZHALLVOQSA-N 2 0 349.544 3.010 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CCC(C)(C)C ZINC001717857104 1421669277 /nfs/dbraw/zinc/66/92/77/1421669277.db2.gz CPAUMBQURUZBIR-IAGOWNOFSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001717858750 1421671490 /nfs/dbraw/zinc/67/14/90/1421671490.db2.gz YELDPZIKDHSBOJ-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001717901005 1421697423 /nfs/dbraw/zinc/69/74/23/1421697423.db2.gz UXNMNKUSFYMKHA-WFJXPABVSA-N 2 0 337.552 3.146 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001717906671 1421702103 /nfs/dbraw/zinc/70/21/03/1421702103.db2.gz ZJHBYYLDDQSSDJ-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C[NH+](C)C1CCC1 ZINC001717948346 1421715013 /nfs/dbraw/zinc/71/50/13/1421715013.db2.gz LENGIQIUAFTVPF-UHFFFAOYSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001717996941 1421764899 /nfs/dbraw/zinc/76/48/99/1421764899.db2.gz YXLMFOQCCRDAOV-SOAGJPPSSA-N 2 0 345.531 3.194 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001718023205 1421777973 /nfs/dbraw/zinc/77/79/73/1421777973.db2.gz DETWYQPMBVOPJB-FZZLMOMWSA-N 2 0 345.531 3.108 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001718026476 1421780298 /nfs/dbraw/zinc/78/02/98/1421780298.db2.gz LEWYFWPGYISEQH-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001733465522 1429698056 /nfs/dbraw/zinc/69/80/56/1429698056.db2.gz MNKWVQCEJOOXSO-CTNGQTDRSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CCC[NH2+]Cc1cccc(F)c1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001723024096 1424289174 /nfs/dbraw/zinc/28/91/74/1424289174.db2.gz YFDAJYGPGANZDF-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001723384332 1424380656 /nfs/dbraw/zinc/38/06/56/1424380656.db2.gz HZFQMCIYDCGDEW-UYAOXDASSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[NH+](CC1CC1)C1CCCCCC1 ZINC001723641252 1424508826 /nfs/dbraw/zinc/50/88/26/1424508826.db2.gz VCJOVARNCHSKEU-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001733527203 1429734667 /nfs/dbraw/zinc/73/46/67/1429734667.db2.gz JESXDRHPGPKGQQ-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001723781612 1424565880 /nfs/dbraw/zinc/56/58/80/1424565880.db2.gz GNCZACXZNKKSAZ-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001723950137 1424609799 /nfs/dbraw/zinc/60/97/99/1424609799.db2.gz VCZYQEOFENAIIW-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001724094691 1424658589 /nfs/dbraw/zinc/65/85/89/1424658589.db2.gz JOJYMCCDQHKDFQ-FUHWJXTLSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CC1)C2 ZINC001724125993 1424677375 /nfs/dbraw/zinc/67/73/75/1424677375.db2.gz NKHRJEPJNCVEJZ-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001733536447 1429742400 /nfs/dbraw/zinc/74/24/00/1429742400.db2.gz TUSGKQCNEPNOKL-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724172677 1424707037 /nfs/dbraw/zinc/70/70/37/1424707037.db2.gz DSMYXHIQGQFRTN-IBGZPJMESA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)[NH2+]C[C@@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724240105 1424751194 /nfs/dbraw/zinc/75/11/94/1424751194.db2.gz QZKTYELJOVLPQD-AZUAARDMSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724540982 1424902495 /nfs/dbraw/zinc/90/24/95/1424902495.db2.gz SVQVGKHCDQVIKP-IKSUFZCESA-N 2 0 335.536 3.044 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001724611425 1424951711 /nfs/dbraw/zinc/95/17/11/1424951711.db2.gz UOOUFMQSLVFGBT-QAQDUYKDSA-N 2 0 342.487 3.179 10 0 EGAERP C[C@@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745895 1425115081 /nfs/dbraw/zinc/11/50/81/1425115081.db2.gz UIDNFZGNGSPCPL-QFKSVDAYSA-N 2 0 349.906 3.046 10 0 EGAERP C[C@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001724748385 1425117479 /nfs/dbraw/zinc/11/74/79/1425117479.db2.gz IVBDOKBGKBGPGT-PVFHKVBPSA-N 2 0 349.906 3.048 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749461 1425119057 /nfs/dbraw/zinc/11/90/57/1425119057.db2.gz MYAMDJHMCTVQPF-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CCCN(C)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001724857912 1425235339 /nfs/dbraw/zinc/23/53/39/1425235339.db2.gz OZQJRGSAAKGCHY-IAGOWNOFSA-N 2 0 349.494 3.009 10 0 EGAERP CCC1([NH2+]CCC2=CCCCC2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001724887749 1425272845 /nfs/dbraw/zinc/27/28/45/1425272845.db2.gz XKEOZNXPIJLZAO-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001724900050 1425295098 /nfs/dbraw/zinc/29/50/98/1425295098.db2.gz SKFBLJVBLITSNZ-CTNGQTDRSA-N 2 0 349.563 3.366 10 0 EGAERP CC[C@H](C(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1)[NH+](C)C ZINC001724957607 1425344711 /nfs/dbraw/zinc/34/47/11/1425344711.db2.gz WTZDCTSIMPLQKO-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001724958360 1425345433 /nfs/dbraw/zinc/34/54/33/1425345433.db2.gz QQCYRJDHXKFXOB-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC(C[NH2+]C2(C)CCN(C(=O)CCC[NH+]3CCCCC3)CC2)C1 ZINC001724963745 1425353392 /nfs/dbraw/zinc/35/33/92/1425353392.db2.gz UYEGEFKEHANHSY-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001724968712 1425364652 /nfs/dbraw/zinc/36/46/52/1425364652.db2.gz FBAHAUCMJVDKEB-PLQXZHKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC1(C)C)[NH+]1CCCCC1 ZINC001724979634 1425382046 /nfs/dbraw/zinc/38/20/46/1425382046.db2.gz NLMKKQLGWNVNTG-QZTJIDSGSA-N 2 0 337.552 3.122 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001725097176 1425540724 /nfs/dbraw/zinc/54/07/24/1425540724.db2.gz JTWLLUOAXFXIJM-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725111593 1425568239 /nfs/dbraw/zinc/56/82/39/1425568239.db2.gz KGXYAEGMXVRPLL-HZPDHXFCSA-N 2 0 325.541 3.027 10 0 EGAERP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001725159159 1425654194 /nfs/dbraw/zinc/65/41/94/1425654194.db2.gz HACLOTQBYCKYGR-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP CC1CC(C[NH2+]CC2(NC(=O)CC[C@H]3CCC[N@@H+]3C)CCCCC2)C1 ZINC001725221542 1425789834 /nfs/dbraw/zinc/78/98/34/1425789834.db2.gz BGIBQTBFIOLEEW-CTWPCTMYSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[C@@H](C[NH2+]C(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725231200 1425805631 /nfs/dbraw/zinc/80/56/31/1425805631.db2.gz FQVVNNQCARXYMC-PKOBYXMFSA-N 2 0 337.552 3.457 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001725299293 1425948012 /nfs/dbraw/zinc/94/80/12/1425948012.db2.gz QVCVSQAXUYAMAU-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCCC3CCCC3)C[C@H]2C1 ZINC001725340781 1425989804 /nfs/dbraw/zinc/98/98/04/1425989804.db2.gz ZBDMXCCRWCSYEZ-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC2(C1)CCC[NH+](CC=C(C)C)C2 ZINC001725345923 1425997133 /nfs/dbraw/zinc/99/71/33/1425997133.db2.gz QEPXVCWTQKIXBR-UHFFFAOYSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001725437853 1426099470 /nfs/dbraw/zinc/09/94/70/1426099470.db2.gz DPCPJICRAWDTFP-VQTJNVASSA-N 2 0 345.531 3.495 10 0 EGAERP CCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001725605914 1426262648 /nfs/dbraw/zinc/26/26/48/1426262648.db2.gz FCUQSQJKZAGRCZ-AZUAARDMSA-N 2 0 335.536 3.164 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001725629354 1426296787 /nfs/dbraw/zinc/29/67/87/1426296787.db2.gz MQJYPAAPKDPMFC-XLIONFOSSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001725734185 1426408115 /nfs/dbraw/zinc/40/81/15/1426408115.db2.gz WPZPXBXGGSCIPP-UHFFFAOYSA-N 2 0 345.531 3.087 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]Cc1cc(C)ccc1C)C(C)(C)C)[NH+](C)C ZINC001725746560 1426424383 /nfs/dbraw/zinc/42/43/83/1426424383.db2.gz OQKAFTLFBMXFFY-MOPGFXCFSA-N 2 0 347.547 3.264 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001725763560 1426445131 /nfs/dbraw/zinc/44/51/31/1426445131.db2.gz CVTDXODBCKOURC-JLAWEPINSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001725781018 1426465938 /nfs/dbraw/zinc/46/59/38/1426465938.db2.gz JKAQRELTGZTGQG-MHJFOBGBSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001725830873 1426508847 /nfs/dbraw/zinc/50/88/47/1426508847.db2.gz WSJDWKUSOAUNNL-ROUUACIJSA-N 2 0 347.547 3.188 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CC(C)C)CC1 ZINC001731387472 1427335721 /nfs/dbraw/zinc/33/57/21/1427335721.db2.gz HTWDNMIBVGSJDA-ICSRJNTNSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001731428328 1427409716 /nfs/dbraw/zinc/40/97/16/1427409716.db2.gz PTVXARSUUDREHN-LWYYNNOASA-N 2 0 349.563 3.218 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001731427674 1427409866 /nfs/dbraw/zinc/40/98/66/1427409866.db2.gz VPJRFRYFDKJXTR-WKOLEINNSA-N 2 0 347.547 3.138 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)CC2)C1)[NH+](CC)CC ZINC001731485998 1427460406 /nfs/dbraw/zinc/46/04/06/1427460406.db2.gz CJCUVUVQEFSPIW-QCRHNUIXSA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001731485788 1427460451 /nfs/dbraw/zinc/46/04/51/1427460451.db2.gz ZDPWNNJFWRFDJW-ZCNNSNEGSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731503501 1427486520 /nfs/dbraw/zinc/48/65/20/1427486520.db2.gz MIXWVDAWFBKNHD-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001731528902 1427519102 /nfs/dbraw/zinc/51/91/02/1427519102.db2.gz BPDISVJXJWKNNO-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001731558838 1427590397 /nfs/dbraw/zinc/59/03/97/1427590397.db2.gz MLXNBBYIFOSLBI-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001731573939 1427617234 /nfs/dbraw/zinc/61/72/34/1427617234.db2.gz UOUNLNSWUVKKOK-AFMYVXGZSA-N 2 0 343.515 3.031 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@@H](C)CNC(=O)C23CCC[NH+](CCC2)C3)c1 ZINC001731601549 1427644677 /nfs/dbraw/zinc/64/46/77/1427644677.db2.gz NQQJVSRCCYLUCP-ZWKOTPCHSA-N 2 0 343.515 3.026 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731659240 1427711648 /nfs/dbraw/zinc/71/16/48/1427711648.db2.gz HSFZZXAIYJNNMP-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001731715031 1427778073 /nfs/dbraw/zinc/77/80/73/1427778073.db2.gz OJFLTXJOCKZVLV-XFIQWEIDSA-N 2 0 337.552 3.242 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731746729 1427837732 /nfs/dbraw/zinc/83/77/32/1427837732.db2.gz JAPYHHZBGGTUHZ-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCNC(=O)CC[C@H]2CCC[NH+]2C)cc1 ZINC001731774504 1427888726 /nfs/dbraw/zinc/88/87/26/1427888726.db2.gz UYFCJJLSERICNK-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]2CCC[NH+]2CCCC(C)C)C1 ZINC001731832228 1428043060 /nfs/dbraw/zinc/04/30/60/1428043060.db2.gz XBVRGAKUVCHXRK-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](CCCC(C)(C)C)C1CC1 ZINC001731885701 1428161026 /nfs/dbraw/zinc/16/10/26/1428161026.db2.gz VWERYLCJALAWBT-CALCHBBNSA-N 2 0 337.552 3.266 10 0 EGAERP CN(CC[NH2+]CCCC1CCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001731918717 1428170227 /nfs/dbraw/zinc/17/02/27/1428170227.db2.gz WXGIPHSMTMPNHN-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001733677203 1429874392 /nfs/dbraw/zinc/87/43/92/1429874392.db2.gz QGRWRACLNBXRTL-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001733695686 1429913528 /nfs/dbraw/zinc/91/35/28/1429913528.db2.gz MNRFMQUBLYBXFO-UHFFFAOYSA-N 2 0 349.563 3.367 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716072 1429935125 /nfs/dbraw/zinc/93/51/25/1429935125.db2.gz DFXMHBNLCNICRT-QGZVFWFLSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccccc2)CC1)[NH+](CC)CC ZINC001733762727 1429979285 /nfs/dbraw/zinc/97/92/85/1429979285.db2.gz CJJNHFJIDBIODI-VQTJNVASSA-N 2 0 345.531 3.278 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733769928 1429998771 /nfs/dbraw/zinc/99/87/71/1429998771.db2.gz RECXZKQWIXAXEV-KKHYBRAUSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733864769 1437692984 /nfs/dbraw/zinc/69/29/84/1437692984.db2.gz NWWOLKMANYENFK-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001733995637 1437789566 /nfs/dbraw/zinc/78/95/66/1437789566.db2.gz BZGRWYQGHKTVAD-QZTJIDSGSA-N 2 0 345.531 3.098 10 0 EGAERP C[C@@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001733998250 1437791864 /nfs/dbraw/zinc/79/18/64/1437791864.db2.gz XLRLEJSKOWYHMS-DLBZAZTESA-N 2 0 335.536 3.092 10 0 EGAERP CCCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001734019304 1437808667 /nfs/dbraw/zinc/80/86/67/1437808667.db2.gz BWOWXSHCDFHTRE-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001734038324 1437826293 /nfs/dbraw/zinc/82/62/93/1437826293.db2.gz AQHQYTLPLPEHLL-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](c1ccc2ccccc2c1)[N@@H+](C)[C@@H](C)CNC(=O)CC[NH+](C)C ZINC001734050170 1437839828 /nfs/dbraw/zinc/83/98/28/1437839828.db2.gz ZTPGTUMSUNHGGI-DLBZAZTESA-N 2 0 341.499 3.289 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)[C@H](C)CNC(=O)CC[NH+](C)C)cc1 ZINC001734049943 1437839871 /nfs/dbraw/zinc/83/98/71/1437839871.db2.gz YHWCXCGLAYMWRO-IAGOWNOFSA-N 2 0 333.520 3.259 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001734056904 1437848698 /nfs/dbraw/zinc/84/86/98/1437848698.db2.gz DRGVDRBXIPLXOS-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734094782 1437878920 /nfs/dbraw/zinc/87/89/20/1437878920.db2.gz VFCKSVGXVGTXQO-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]1CCCCC[NH+]1CCC(C)(C)C)C1CCC1 ZINC001734103740 1437888888 /nfs/dbraw/zinc/88/88/88/1437888888.db2.gz LWICQVLOAYRLKD-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1CCCC1CCCC1 ZINC001734105808 1437892508 /nfs/dbraw/zinc/89/25/08/1437892508.db2.gz IGWRAXNMEWJWLC-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CCCCC[NH+]1CC([C@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001734116472 1437898808 /nfs/dbraw/zinc/89/88/08/1437898808.db2.gz FVWSLVZSGAQUSV-AWEZNQCLSA-N 2 0 337.533 3.050 10 0 EGAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001734116473 1437898850 /nfs/dbraw/zinc/89/88/50/1437898850.db2.gz FVWSLVZSGAQUSV-CQSZACIVSA-N 2 0 337.533 3.050 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001734117130 1437899097 /nfs/dbraw/zinc/89/90/97/1437899097.db2.gz MPRQSJXTMAWGFY-OKMFUNFZSA-N 2 0 347.547 3.186 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001734192568 1437933629 /nfs/dbraw/zinc/93/36/29/1437933629.db2.gz GNGMZWYLGARYBR-XUVXKRRUSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001734210673 1437944537 /nfs/dbraw/zinc/94/45/37/1437944537.db2.gz PYCRPNJDNNFLDA-LWYYNNOASA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)C[NH2+]CCC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001734234723 1437951724 /nfs/dbraw/zinc/95/17/24/1437951724.db2.gz RRVBOAVHZDTSCN-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001734261612 1437977699 /nfs/dbraw/zinc/97/76/99/1437977699.db2.gz OZBHJBDVGFXBES-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734484967 1438128400 /nfs/dbraw/zinc/12/84/00/1438128400.db2.gz QGRHJOVZPBNPGA-AZUAARDMSA-N 2 0 345.531 3.282 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001734486984 1438129228 /nfs/dbraw/zinc/12/92/28/1438129228.db2.gz KVZUVHFWCLONHB-WOJBJXKFSA-N 2 0 347.547 3.237 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001734488837 1438129712 /nfs/dbraw/zinc/12/97/12/1438129712.db2.gz SGQKQEZAIYZKOU-XLIONFOSSA-N 2 0 343.515 3.203 10 0 EGAERP Cc1cccc(C[NH+]2CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC2)c1 ZINC001734586152 1438176179 /nfs/dbraw/zinc/17/61/79/1438176179.db2.gz HXQSMVZUMKVVCH-SFHVURJKSA-N 2 0 345.531 3.054 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001734627174 1438191387 /nfs/dbraw/zinc/19/13/87/1438191387.db2.gz JRJFTBYUGIKMCW-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)COC(C)(C)C)CC1 ZINC000103227994 219272252 /nfs/dbraw/zinc/27/22/52/219272252.db2.gz KWCHKDTTXUVGTM-HXUWFJFHSA-N 2 0 348.531 3.006 10 0 EGAERP CC[C@@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CCC[NH+](C)C ZINC000104203088 219361059 /nfs/dbraw/zinc/36/10/59/219361059.db2.gz POLQDOSGACJBRY-RISCZKNCSA-N 2 0 348.354 3.173 10 0 EGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)C1CCSCC1 ZINC000187257268 299282133 /nfs/dbraw/zinc/28/21/33/299282133.db2.gz KFXHIYSBQNUQSV-KRWDZBQOSA-N 2 0 339.593 3.058 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+](C)C)c1ccc(I)cc1 ZINC000045664012 213748316 /nfs/dbraw/zinc/74/83/16/213748316.db2.gz FYNJPXRDHCDUSK-GFCCVEGCSA-N 2 0 346.256 3.284 10 0 EGAERP Cc1ccc2ncc(C[N@@H+]3CC[C@@H](CNc4cccc(C)[nH+]4)C3)n2c1 ZINC000092813450 218170564 /nfs/dbraw/zinc/17/05/64/218170564.db2.gz BSCXMUZPYKGTNC-KRWDZBQOSA-N 2 0 335.455 3.280 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764285 252212727 /nfs/dbraw/zinc/21/27/27/252212727.db2.gz ITZFULSWKYMDNP-CVEARBPZSA-N 2 0 332.492 3.209 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc(CO)c(F)c1 ZINC000268834068 252283483 /nfs/dbraw/zinc/28/34/83/252283483.db2.gz LGMWCZCUIBLQND-IIBYNOLFSA-N 2 0 342.458 3.318 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1cccc(C[NH+](C)C)c1 ZINC000341259887 141145930 /nfs/dbraw/zinc/14/59/30/141145930.db2.gz LRDPOZKDYYLJTL-IYBDPMFKSA-N 2 0 332.492 3.133 10 0 EGAERP CCN(C(=O)[C@H](C)[N@@H+]1CCC[C@@H]1Cn1ccnc1C)C1CCCCC1 ZINC000178320459 144069379 /nfs/dbraw/zinc/06/93/79/144069379.db2.gz AATGYIOOELGDNU-QFBILLFUSA-N 2 0 346.519 3.226 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000186468419 144134336 /nfs/dbraw/zinc/13/43/36/144134336.db2.gz BEVAWZWIJJFHDZ-QGZVFWFLSA-N 2 0 343.515 3.262 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@]2(C1)OCc1ccccc12 ZINC000351874253 144318852 /nfs/dbraw/zinc/31/88/52/144318852.db2.gz CNICMEJYDLDSDX-OAQYLSRUSA-N 2 0 346.434 3.207 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000122806563 152425050 /nfs/dbraw/zinc/42/50/50/152425050.db2.gz WICXLAJLSCEUGP-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@H](C)C[C@H]2c2ccco2)CC1 ZINC000191521133 153203529 /nfs/dbraw/zinc/20/35/29/153203529.db2.gz QBDLZNGPYKBXGT-MOPGFXCFSA-N 2 0 333.520 3.469 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000310275187 154140987 /nfs/dbraw/zinc/14/09/87/154140987.db2.gz UQBLLUJBOGLQTB-XUVXKRRUSA-N 2 0 328.500 3.303 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccc(F)cc3)cn2)CC1 ZINC000112529174 162181334 /nfs/dbraw/zinc/18/13/34/162181334.db2.gz BBHKNOFXXLLYAX-MRXNPFEDSA-N 2 0 342.462 3.213 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CC[N@@H+](C)C[C@@H]1c1ccccc1 ZINC000346143555 164348454 /nfs/dbraw/zinc/34/84/54/164348454.db2.gz DLOXHLMGNIIWDG-OAQYLSRUSA-N 2 0 347.466 3.064 10 0 EGAERP c1cn(-c2csc(C[N@@H+]3CC[C@H]4[C@H](CCC[NH+]4C4CC4)C3)c2)cn1 ZINC000346169700 164355683 /nfs/dbraw/zinc/35/56/83/164355683.db2.gz MTNVJVRQOAVKSI-BEFAXECRSA-N 2 0 342.512 3.383 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCOC[C@H]1c1ccccc1 ZINC000346231748 164360868 /nfs/dbraw/zinc/36/08/68/164360868.db2.gz YHNQQHNPTSBDTJ-FQEVSTJZSA-N 2 0 334.423 3.149 10 0 EGAERP OC[C@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000355535872 166234680 /nfs/dbraw/zinc/23/46/80/166234680.db2.gz QHICJMDTZYIVAE-ASJDWODUSA-N 2 0 328.500 3.323 10 0 EGAERP COCCN1CCC[C@@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000194020520 266084027 /nfs/dbraw/zinc/08/40/27/266084027.db2.gz DYONUIPBEWJDRT-DGCLKSJQSA-N 2 0 347.322 3.272 10 0 EGAERP FC(F)(F)[C@H]1C[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CCO1 ZINC000287788892 276157213 /nfs/dbraw/zinc/15/72/13/276157213.db2.gz SPTHVWGBBLYQAZ-IAGOWNOFSA-N 2 0 342.405 3.482 10 0 EGAERP CC(C)[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000182108457 280325406 /nfs/dbraw/zinc/32/54/06/280325406.db2.gz YAAYRRJNNXSZON-IBGZPJMESA-N 2 0 339.474 3.278 10 0 EGAERP CN1CC[C@H]([NH2+]CC[C@H]2CCCC[N@@H+]2C)[C@@H]1c1ccc(F)c(F)c1 ZINC000352103370 290219066 /nfs/dbraw/zinc/21/90/66/290219066.db2.gz OAABXSNXFWCSJH-MNEFBYGVSA-N 2 0 337.458 3.174 10 0 EGAERP OC1(C[NH2+][C@H](C2CC2)C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000414294366 309071214 /nfs/dbraw/zinc/07/12/14/309071214.db2.gz CCHONJZIIBNJPT-FQEVSTJZSA-N 2 0 328.500 3.182 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H](O)C(CC)CC)CC1 ZINC000236783708 307944127 /nfs/dbraw/zinc/94/41/27/307944127.db2.gz PFVBZDZTQZNFPU-NRFANRHFSA-N 2 0 347.547 3.105 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@](C)(O)[C@H](C)CC)CC1 ZINC000236783795 307944132 /nfs/dbraw/zinc/94/41/32/307944132.db2.gz AEYBAYWNRROVCP-NQIIRXRSSA-N 2 0 347.547 3.105 10 0 EGAERP C[C@H](Cc1ccccc1)C[NH+]1CCN(CC[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC000248537647 308005142 /nfs/dbraw/zinc/00/51/42/308005142.db2.gz AABXUNXETWZRNG-NJDAHSKKSA-N 2 0 343.559 3.356 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2C[C@H](C)O[C@H]2C)CC1 ZINC000414513388 309085714 /nfs/dbraw/zinc/08/57/14/309085714.db2.gz KDNPYDIWXPUHKP-BJLQDIEVSA-N 2 0 345.531 3.122 10 0 EGAERP O=C(CCC[NH+]1CCC(OCC[NH+]2CCCC2)CC1)c1ccccc1 ZINC000294838423 308262749 /nfs/dbraw/zinc/26/27/49/308262749.db2.gz BCYRTAGYJPPHEE-UHFFFAOYSA-N 2 0 344.499 3.226 10 0 EGAERP C[C@H]1C[C@@H](C[NH+]2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414687395 309095590 /nfs/dbraw/zinc/09/55/90/309095590.db2.gz HGCPWGRBPKIDIK-HKUYNNGSSA-N 2 0 327.516 3.149 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2cc(Cl)c3c(c2)OCCO3)cc1 ZINC000414808984 309102774 /nfs/dbraw/zinc/10/27/74/309102774.db2.gz LQBHDNAHRGCGSW-GFCCVEGCSA-N 2 0 332.831 3.421 10 0 EGAERP OC1(C[NH2+]Cc2cc(F)cc(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397594392 308904556 /nfs/dbraw/zinc/90/45/56/308904556.db2.gz OOLKNTYTPYYCOQ-UHFFFAOYSA-N 2 0 346.421 3.082 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414954295 309111106 /nfs/dbraw/zinc/11/11/06/309111106.db2.gz KIVCXZDAWWIYKI-CABZTGNLSA-N 2 0 349.219 3.138 10 0 EGAERP CC[C@H](Cc1ccc(C)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415052854 309116839 /nfs/dbraw/zinc/11/68/39/309116839.db2.gz LUICNOXWACJOEM-QNGMFEMESA-N 2 0 329.532 3.122 10 0 EGAERP C[C@H](Cc1ccc(Cl)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415055324 309116944 /nfs/dbraw/zinc/11/69/44/309116944.db2.gz OJNIHHRBJHRQJJ-VNCLNFNDSA-N 2 0 335.923 3.077 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000415137937 309123157 /nfs/dbraw/zinc/12/31/57/309123157.db2.gz UMVODKBMQKTMGT-OAHLLOKOSA-N 2 0 343.437 3.301 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCCCC[NH+]1CCCC1 ZINC000415929342 309149299 /nfs/dbraw/zinc/14/92/99/309149299.db2.gz HRGKYMIHXCDHMQ-UHFFFAOYSA-N 2 0 332.492 3.184 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(CCC[NH+](C)C)CC1 ZINC000415932987 309149726 /nfs/dbraw/zinc/14/97/26/309149726.db2.gz OYWVLFDWSTXUTL-UHFFFAOYSA-N 2 0 346.519 3.382 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000415940695 309150150 /nfs/dbraw/zinc/15/01/50/309150150.db2.gz FMGFMGFAKLFAAE-CVEARBPZSA-N 2 0 332.492 3.038 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@H]1CC ZINC000415952637 309150876 /nfs/dbraw/zinc/15/08/76/309150876.db2.gz JXYPHFTZQNYXEU-QGZVFWFLSA-N 2 0 332.492 3.182 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCC[N@H+](C)C2CCCCC2)cc1 ZINC000417015720 309189850 /nfs/dbraw/zinc/18/98/50/309189850.db2.gz FQEABNVWCFHMAH-MRXNPFEDSA-N 2 0 346.519 3.160 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](Cc3cc(C)c(O)c(C)c3)CC2)CC1 ZINC000421367026 309320708 /nfs/dbraw/zinc/32/07/08/309320708.db2.gz DJAKWBFADOUAGF-UHFFFAOYSA-N 2 0 345.531 3.001 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752648 309366622 /nfs/dbraw/zinc/36/66/22/309366622.db2.gz CVAVMOVEGOMZIO-CRAIPNDOSA-N 2 0 342.462 3.307 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)COc1ccc(F)cc1F ZINC000422757165 309366861 /nfs/dbraw/zinc/36/68/61/309366861.db2.gz IFPJIIVCNSSNOH-NEPJUHHUSA-N 2 0 335.398 3.245 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1ccc(-c2csc(C)n2)s1 ZINC000422796744 309368805 /nfs/dbraw/zinc/36/88/05/309368805.db2.gz KLIGBDQYHFRSMJ-CYBMUJFWSA-N 2 0 339.530 3.066 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)N[C@@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422802301 309369298 /nfs/dbraw/zinc/36/92/98/309369298.db2.gz HBJBHHCLCPPDPA-UWJYYQICSA-N 2 0 338.499 3.336 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@H]1CC[NH2+]CC[C@H]1C ZINC000422876033 309373154 /nfs/dbraw/zinc/37/31/54/309373154.db2.gz FWGLXTSQGRSORJ-APWZRJJASA-N 2 0 326.488 3.473 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]C[C@@H](c1ccccc1)N1CCc2sccc2C1 ZINC000422875332 309373159 /nfs/dbraw/zinc/37/31/59/309373159.db2.gz DTYJLRBCYFHNRS-QYZOEREBSA-N 2 0 341.524 3.317 10 0 EGAERP Clc1cccnc1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422879166 309373693 /nfs/dbraw/zinc/37/36/93/309373693.db2.gz UUQLPDPQXRKHCX-CWLKWCNXSA-N 2 0 348.922 3.214 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCN[C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422882073 309373788 /nfs/dbraw/zinc/37/37/88/309373788.db2.gz ACSYTBGKRAEAFS-NZGUISNBSA-N 2 0 343.515 3.095 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422888728 309374389 /nfs/dbraw/zinc/37/43/89/309374389.db2.gz NQDGBLVHVQQRQG-AEFFLSMTSA-N 2 0 333.863 3.168 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+]Cc1ccc(OCC[NH+](C)C)cc1 ZINC000422893887 309374698 /nfs/dbraw/zinc/37/46/98/309374698.db2.gz BEZWHGYCCNJAQZ-IEBWSBKVSA-N 3 0 333.520 3.027 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H](C)CCCC[NH3+])CCOCC1 ZINC000422904678 309375346 /nfs/dbraw/zinc/37/53/46/309375346.db2.gz XVCLXKQPIURAAX-KRWDZBQOSA-N 2 0 334.504 3.159 10 0 EGAERP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422916359 309375962 /nfs/dbraw/zinc/37/59/62/309375962.db2.gz AEVHOQZBDAFTQG-LMQGHGSNSA-N 2 0 344.499 3.283 10 0 EGAERP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916756 309376023 /nfs/dbraw/zinc/37/60/23/309376023.db2.gz DZPXARVFBWPVTJ-IWLVTHKOSA-N 2 0 334.463 3.463 10 0 EGAERP O[C@@H]1CCCC[C@@H]1CCC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422993101 309379862 /nfs/dbraw/zinc/37/98/62/309379862.db2.gz SIVREUGYDRPKJI-LYSIVYOWSA-N 2 0 344.499 3.163 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423021081 309381378 /nfs/dbraw/zinc/38/13/78/309381378.db2.gz DGWOPURFFYKFPM-WCIQWLHISA-N 2 0 343.421 3.444 10 0 EGAERP CC(C)[NH+]1CCN(c2cccc(NC3CCC(C[NH3+])CC3)c2)CC1 ZINC000423023782 309381526 /nfs/dbraw/zinc/38/15/26/309381526.db2.gz IAQJTRWEZIRVOH-UHFFFAOYSA-N 2 0 330.520 3.146 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CCn1c2ccccc2c2ccccc21 ZINC000423030545 309382031 /nfs/dbraw/zinc/38/20/31/309382031.db2.gz JZSZZLXJMJHLOM-INIZCTEOSA-N 2 0 325.456 3.138 10 0 EGAERP CC[C@@H]([NH2+][C@@H](CCC[NH3+])COC)c1cc(F)cc(Br)c1 ZINC000423058404 309383602 /nfs/dbraw/zinc/38/36/02/309383602.db2.gz CBUPWIAUQWQSBJ-LSDHHAIUSA-N 2 0 347.272 3.383 10 0 EGAERP CC(C)(C)CC[C@H](CO)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423093137 309385538 /nfs/dbraw/zinc/38/55/38/309385538.db2.gz FZDFGGNYJGVKLJ-MDYRTPRTSA-N 2 0 332.488 3.019 10 0 EGAERP C[C@@H]1CC(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H](C)O1 ZINC000423107832 309386333 /nfs/dbraw/zinc/38/63/33/309386333.db2.gz FINLATNTSDTHSE-NVEXJGOOSA-N 2 0 344.499 3.426 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)n1 ZINC000423134299 309387616 /nfs/dbraw/zinc/38/76/16/309387616.db2.gz LTXNZGYRBHDTBA-RRFJBIMHSA-N 2 0 327.394 3.153 10 0 EGAERP CCC[N@H+](CC)C[C@H](C)N[C@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423143593 309388148 /nfs/dbraw/zinc/38/81/48/309388148.db2.gz XLXWJPKMJPTISV-FFZOFVMBSA-N 2 0 333.520 3.198 10 0 EGAERP Cc1ccc([C@@H](CCn2cncn2)[NH2+]CC2([NH3+])CCCCCC2)cc1 ZINC000423208067 309390536 /nfs/dbraw/zinc/39/05/36/309390536.db2.gz YPRKPPLIPLWFII-LJQANCHMSA-N 2 0 341.503 3.359 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H](N)c1ccc(C(C)C)cc1 ZINC000423232714 309391531 /nfs/dbraw/zinc/39/15/31/309391531.db2.gz CQZBUCMUCKXXDA-JLTOFOAXSA-N 3 0 326.488 3.323 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423244942 309392210 /nfs/dbraw/zinc/39/22/10/309392210.db2.gz ICAZUGMLZADSDZ-DOMZBBRYSA-N 2 0 339.277 3.252 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423292536 309394255 /nfs/dbraw/zinc/39/42/55/309394255.db2.gz NGTCUIJKWRALQO-DLVCFXQMSA-N 3 0 337.467 3.052 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423362083 309396964 /nfs/dbraw/zinc/39/69/64/309396964.db2.gz AUCVSOJRTKSIMV-ZWZTZDBGSA-N 2 0 327.241 3.163 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423394481 309398318 /nfs/dbraw/zinc/39/83/18/309398318.db2.gz MSYMFSJGLVFOHC-OBJCFNGXSA-N 2 0 327.516 3.017 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000425358840 309475878 /nfs/dbraw/zinc/47/58/78/309475878.db2.gz REGSGNUPRPYQNV-RPVQJOFSSA-N 2 0 337.508 3.122 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000447604057 309984261 /nfs/dbraw/zinc/98/42/61/309984261.db2.gz YJYYCBWWQZBXCM-WOJBJXKFSA-N 2 0 334.504 3.278 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCNC(=O)c2ccco2)CC1 ZINC000449071794 310034816 /nfs/dbraw/zinc/03/48/16/310034816.db2.gz OPWFCNXXPGTUPW-UHFFFAOYSA-N 2 0 349.519 3.278 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOCC(F)(F)F)CC1 ZINC000449073194 310034898 /nfs/dbraw/zinc/03/48/98/310034898.db2.gz RGYSOMNPSXUMRQ-OAHLLOKOSA-N 2 0 344.421 3.251 10 0 EGAERP CCCNC(=O)CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449085941 310035788 /nfs/dbraw/zinc/03/57/88/310035788.db2.gz PYJCMYDYJMGDCW-UHFFFAOYSA-N 2 0 325.541 3.172 10 0 EGAERP CC[C@H](C)[C@](C)(O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449136816 310039514 /nfs/dbraw/zinc/03/95/14/310039514.db2.gz CIYUQLOHRJGEQD-WAOWUJCRSA-N 2 0 332.532 3.469 10 0 EGAERP CS[C@@H](CO)[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449158927 310041075 /nfs/dbraw/zinc/04/10/75/310041075.db2.gz WERQLHYNQZPRIJ-ZBFHGGJFSA-N 2 0 330.582 3.368 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000449281555 310049884 /nfs/dbraw/zinc/04/98/84/310049884.db2.gz ZUOXVNBHFBWDAD-CQSZACIVSA-N 2 0 330.394 3.208 10 0 EGAERP C[S@@](=O)C1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449299961 310051413 /nfs/dbraw/zinc/05/14/13/310051413.db2.gz BWDSLTNIZUXTDG-JOCHJYFZSA-N 2 0 328.566 3.166 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@H](SC)C2)CC1 ZINC000449445780 310062604 /nfs/dbraw/zinc/06/26/04/310062604.db2.gz LVIPZBHTFISMMT-SFHVURJKSA-N 2 0 333.545 3.156 10 0 EGAERP C[C@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449588699 310074082 /nfs/dbraw/zinc/07/40/82/310074082.db2.gz QQOKUBUTRQFGAQ-QZTJIDSGSA-N 2 0 340.515 3.036 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@H]2CCOC2)CC1 ZINC000449688076 310080827 /nfs/dbraw/zinc/08/08/27/310080827.db2.gz FIQGGUSKSGRNME-ICSRJNTNSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000449720426 310082376 /nfs/dbraw/zinc/08/23/76/310082376.db2.gz IOBHAYLEHGVEBU-QGZVFWFLSA-N 2 0 332.532 3.469 10 0 EGAERP O=C(CCC[NH+]1CCC(CC[NH+]2CCOCC2)CC1)c1ccccc1 ZINC000450319002 310115042 /nfs/dbraw/zinc/11/50/42/310115042.db2.gz PCQXOGKKQCJXIR-UHFFFAOYSA-N 2 0 344.499 3.084 10 0 EGAERP c1ccc(OC2CC2)c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000450452977 310123633 /nfs/dbraw/zinc/12/36/33/310123633.db2.gz NVYYVWPFJPSLNR-UHFFFAOYSA-N 2 0 344.499 3.305 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3csc(C)c3)cn2)CC1 ZINC000453070361 310255744 /nfs/dbraw/zinc/25/57/44/310255744.db2.gz VBCXKDOCORQHIY-MRXNPFEDSA-N 2 0 344.528 3.444 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000453196518 310263466 /nfs/dbraw/zinc/26/34/66/310263466.db2.gz LGVJKVOFYAKOFE-XUVXKRRUSA-N 2 0 328.500 3.182 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000453196515 310263485 /nfs/dbraw/zinc/26/34/85/310263485.db2.gz LGVJKVOFYAKOFE-AQNXPRMDSA-N 2 0 328.500 3.182 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2-c2ccccc2C)CC1 ZINC000474803742 310799585 /nfs/dbraw/zinc/79/95/85/310799585.db2.gz GPQQGKHSTOSGIB-UHFFFAOYSA-N 2 0 326.488 3.392 10 0 EGAERP COCCSCCC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000487881955 311041337 /nfs/dbraw/zinc/04/13/37/311041337.db2.gz PKDDHIWMSIUTMP-SFHVURJKSA-N 2 0 328.566 3.344 10 0 EGAERP CC(C)C1CC([NH2+]CCCN2CC[N@H+](C)C[C@@H]2c2ccccc2)C1 ZINC000488447850 311066194 /nfs/dbraw/zinc/06/61/94/311066194.db2.gz XXIRNUZCBYLIKS-XVAXZDLZSA-N 2 0 329.532 3.389 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCCC3)nc2)[C@H]2CCC[C@H]21 ZINC000514100011 312224907 /nfs/dbraw/zinc/22/49/07/312224907.db2.gz SLYZNDFORUJPJP-HSALFYBXSA-N 2 0 342.531 3.424 10 0 EGAERP Cn1c2ccccc2cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)c1=O ZINC000519831294 312482425 /nfs/dbraw/zinc/48/24/25/312482425.db2.gz GQMIKWSEVPEAPE-UHFFFAOYSA-N 2 0 341.499 3.092 10 0 EGAERP c1ccc(N2CCC(C[NH2+]C3CC[NH+](CC4CC4)CC3)CC2)cc1 ZINC000526990270 312813167 /nfs/dbraw/zinc/81/31/67/312813167.db2.gz QEMOYLPZHCYMGX-UHFFFAOYSA-N 2 0 327.516 3.367 10 0 EGAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000534328097 313972817 /nfs/dbraw/zinc/97/28/17/313972817.db2.gz BTXRMQKLLUAYLH-ZDUSSCGKSA-N 2 0 327.875 3.156 10 0 EGAERP C[C@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1ccc(Cl)c(F)c1 ZINC000535777023 314073383 /nfs/dbraw/zinc/07/33/83/314073383.db2.gz DWCSEBRRCXLPEI-ZDUSSCGKSA-N 2 0 327.875 3.156 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)C[C@@H](C)O3)[C@@H](C)C1 ZINC000539838230 314344250 /nfs/dbraw/zinc/34/42/50/314344250.db2.gz JHZYPOSOOVNTIV-DAYGRLMNSA-N 2 0 332.488 3.181 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1cnn(C)c1)C(C)(C)C ZINC000541539746 314467493 /nfs/dbraw/zinc/46/74/93/314467493.db2.gz GTEISGROQATDMI-GOSISDBHSA-N 2 0 338.459 3.186 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000552046858 315192717 /nfs/dbraw/zinc/19/27/17/315192717.db2.gz UYGIOLUVNKXNBG-CMOCDZPBSA-N 2 0 341.543 3.013 10 0 EGAERP CN1CC[NH+](CCCC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000563934818 316093311 /nfs/dbraw/zinc/09/33/11/316093311.db2.gz IVQSENDLXKZOCN-UHFFFAOYSA-N 2 0 336.332 3.172 10 0 EGAERP COc1cncc(/C=C\CC[NH+]2CCC(C[NH+]3CCCC3)CC2)c1 ZINC000564207887 316123524 /nfs/dbraw/zinc/12/35/24/316123524.db2.gz JHDGVSMSMLZLMB-KXFIGUGUSA-N 2 0 329.488 3.301 10 0 EGAERP O[C@@H](C[NH2+]Cc1ccccc1C[NH+]1CCCCC1)CC(F)(F)F ZINC000564846388 316216565 /nfs/dbraw/zinc/21/65/65/316216565.db2.gz MRRCPQVGMKOZOX-MRXNPFEDSA-N 2 0 330.394 3.075 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C[C@@H](O)COc2c(C)ccc(C)c2C)CC1 ZINC000567345683 316603581 /nfs/dbraw/zinc/60/35/81/316603581.db2.gz QBONKWMGXBFENL-HXUWFJFHSA-N 2 0 348.531 3.063 10 0 EGAERP O=C(Nc1ccccc1)C1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000568051566 316716143 /nfs/dbraw/zinc/71/61/43/316716143.db2.gz QVKLTZHSUNBGOS-UHFFFAOYSA-N 2 0 349.478 3.183 10 0 EGAERP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000570973813 317134077 /nfs/dbraw/zinc/13/40/77/317134077.db2.gz SYCYCXGTVOAJGB-WFXMLNOXSA-N 2 0 332.532 3.469 10 0 EGAERP COCC[NH2+]C1CCN([C@H](C)c2ccccc2Br)CC1 ZINC000571289438 317178846 /nfs/dbraw/zinc/17/88/46/317178846.db2.gz BKTYYXLEPMJEQJ-CYBMUJFWSA-N 2 0 341.293 3.211 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CCC[C@@H]([NH+]3CCCC3)CC2)c1 ZINC000571674373 317231640 /nfs/dbraw/zinc/23/16/40/317231640.db2.gz RYRPFWQRILKPMV-RQEHUIBCSA-N 2 0 329.488 3.444 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CCC[C@H]([NH+]3CCCC3)CC2)c1 ZINC000571674371 317231765 /nfs/dbraw/zinc/23/17/65/317231765.db2.gz RYRPFWQRILKPMV-GBVBSETHSA-N 2 0 329.488 3.444 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[C@H]21 ZINC000572106174 317291529 /nfs/dbraw/zinc/29/15/29/317291529.db2.gz DOWRVBGKEJMSON-MVJPYGJCSA-N 2 0 331.479 3.114 10 0 EGAERP C[C@@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000349429013 324025881 /nfs/dbraw/zinc/02/58/81/324025881.db2.gz POQQVJZTPLKFJO-KDOFPFPSSA-N 2 0 334.485 3.073 10 0 EGAERP O=C(CC1C[C@H]2CC[C@@H](C1)[NH2+]2)Nc1ccc(C[NH+]2CCCC2)cc1 ZINC000392097762 324287876 /nfs/dbraw/zinc/28/78/76/324287876.db2.gz UHHCMQYUQNGVOZ-JLYLLQBASA-N 2 0 327.472 3.142 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@H](Cc1ccc(F)cc1)c1ccccc1 ZINC000578960042 325041600 /nfs/dbraw/zinc/04/16/00/325041600.db2.gz YXRFCAYVDOTZJZ-HXUWFJFHSA-N 2 0 330.447 3.277 10 0 EGAERP Fc1ccccc1-c1ncc(C[NH2+][C@H]2CCc3nc[nH]c3C2)s1 ZINC000581469301 325363676 /nfs/dbraw/zinc/36/36/76/325363676.db2.gz DFOYVEURCFUKTC-NSHDSACASA-N 2 0 328.416 3.319 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183130232 455234872 /nfs/dbraw/zinc/23/48/72/455234872.db2.gz DTPBXAXZZQUTIR-MYGLTJDJSA-N 3 0 341.543 3.219 10 0 EGAERP Cn1ccnc1C[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000264567890 455239550 /nfs/dbraw/zinc/23/95/50/455239550.db2.gz VZQBPEJQZJJOEG-UHFFFAOYSA-N 2 0 340.515 3.245 10 0 EGAERP FC(F)(F)c1ccn(C2CC[NH+](CCC[NH+]3CCCC3)CC2)n1 ZINC000183170005 455242805 /nfs/dbraw/zinc/24/28/05/455242805.db2.gz KDSOIUYRVSWXMZ-UHFFFAOYSA-N 2 0 330.398 3.025 10 0 EGAERP C[C@@H]1C[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000245679772 455354386 /nfs/dbraw/zinc/35/43/86/455354386.db2.gz IQBNEOWUVRWBKG-JTIOYYDXSA-N 2 0 339.527 3.397 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccsc1C(F)(F)F ZINC000623562824 460613818 /nfs/dbraw/zinc/61/38/18/460613818.db2.gz DKXRCSKADMAPKZ-LBPRGKRZSA-N 2 0 337.455 3.129 10 0 EGAERP C[C@H](c1ccccc1F)N1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119504797 454199877 /nfs/dbraw/zinc/19/98/77/454199877.db2.gz YRFFYGLJSJFEFM-HRBLRVMOSA-N 2 0 331.479 3.130 10 0 EGAERP C[C@@H](CC[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076074 455437050 /nfs/dbraw/zinc/43/70/50/455437050.db2.gz OCINOGOCXYKREV-PZJWPPBQSA-N 2 0 329.532 3.282 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000090707449 454336991 /nfs/dbraw/zinc/33/69/91/454336991.db2.gz XCKDNQUYIXRJHJ-UHFFFAOYSA-N 2 0 343.559 3.404 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2[C@@H]3CCO[C@@H]3C23CCCC3)ccc1F ZINC000121845836 454485027 /nfs/dbraw/zinc/48/50/27/454485027.db2.gz ADURGIYCKXJDCZ-WDSOQIARSA-N 2 0 332.463 3.325 10 0 EGAERP CC[N@@H+]1CC[C@@H](CN[C@@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000163216063 454830906 /nfs/dbraw/zinc/83/09/06/454830906.db2.gz ZSLNGPJCELFFLF-ZFWWWQNUSA-N 2 0 347.894 3.222 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000163241702 454834182 /nfs/dbraw/zinc/83/41/82/454834182.db2.gz RUCLUUCDAKGKEI-MRXNPFEDSA-N 2 0 335.923 3.236 10 0 EGAERP COc1cccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c1 ZINC000177381209 454858232 /nfs/dbraw/zinc/85/82/32/454858232.db2.gz DCWUKEFKTPYTJT-GOSISDBHSA-N 2 0 345.531 3.296 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155659026 455027912 /nfs/dbraw/zinc/02/79/12/455027912.db2.gz WPDVBENBNQHMFQ-UYAOXDASSA-N 2 0 345.531 3.133 10 0 EGAERP C[N@@H+]1CCCC[C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000623656099 460663269 /nfs/dbraw/zinc/66/32/69/460663269.db2.gz MYGJCYQIUSMDTJ-HNNXBMFYSA-N 2 0 330.394 3.449 10 0 EGAERP C[C@@H](C[NH2+][C@H](c1ccc(Cl)cc1)C1CC1)CN1CC[NH+](C)CC1 ZINC000180092859 455131261 /nfs/dbraw/zinc/13/12/61/455131261.db2.gz ONGQKBABPGWQLG-KXBFYZLASA-N 2 0 335.923 3.264 10 0 EGAERP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000180160498 455141989 /nfs/dbraw/zinc/14/19/89/455141989.db2.gz IQBNEOWUVRWBKG-QUQREYOPSA-N 2 0 339.527 3.397 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccccc2OCC(=O)OC)CC1 ZINC000183555095 455305988 /nfs/dbraw/zinc/30/59/88/455305988.db2.gz MCIORDXMHVLIDH-INIZCTEOSA-N 2 0 348.487 3.011 10 0 EGAERP C[N@H+](C[C@H](O)CC1CCCC1)C[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000190612956 455352711 /nfs/dbraw/zinc/35/27/11/455352711.db2.gz CQMRQSCWKLOEDZ-NHCUHLMSSA-N 2 0 330.516 3.382 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(F)c(F)c1 ZINC000182060252 455426159 /nfs/dbraw/zinc/42/61/59/455426159.db2.gz PFZYBYZNSMTCEW-KXBFYZLASA-N 2 0 339.474 3.135 10 0 EGAERP CC(C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)c1ccc(F)c(F)c1 ZINC000182075127 455430132 /nfs/dbraw/zinc/43/01/32/455430132.db2.gz IQOUCWUAHQKQIF-VQIMIIECSA-N 2 0 340.458 3.488 10 0 EGAERP C[C@H](CC[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000191076057 455436853 /nfs/dbraw/zinc/43/68/53/455436853.db2.gz OCINOGOCXYKREV-CTNGQTDRSA-N 2 0 329.532 3.282 10 0 EGAERP Cc1ccc2[nH+]ccc(N(C)CC3CC[NH+](C[C@@H](C)O)CC3)c2c1 ZINC000185643563 455588509 /nfs/dbraw/zinc/58/85/09/455588509.db2.gz JKAGSIYFCVCZHM-MRXNPFEDSA-N 2 0 327.472 3.072 10 0 EGAERP CC(C)(C)CC[NH+]1CCN([C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000271356213 455608943 /nfs/dbraw/zinc/60/89/43/455608943.db2.gz MJWFTQAVBZUDPL-FQEVSTJZSA-N 2 0 329.532 3.315 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192476829 455627288 /nfs/dbraw/zinc/62/72/88/455627288.db2.gz DAALQDAVPXSCEH-OAHLLOKOSA-N 2 0 347.528 3.344 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+]Cc2ccc3c(c2)sc(=O)n3C)C1 ZINC000192645598 455661152 /nfs/dbraw/zinc/66/11/52/455661152.db2.gz LXJQIWDZHWFAPT-INIZCTEOSA-N 2 0 347.528 3.058 10 0 EGAERP C[C@@H](C[N@H+](C)Cc1ccccc1)NC(=O)c1sccc1C[NH+](C)C ZINC000272084689 455842276 /nfs/dbraw/zinc/84/22/76/455842276.db2.gz WXKKWNJUVTWZKP-HNNXBMFYSA-N 2 0 345.512 3.060 10 0 EGAERP CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@@H](O)C(F)F ZINC000296312865 455906352 /nfs/dbraw/zinc/90/63/52/455906352.db2.gz GKWRXSNTQXNPMJ-OPQOLIRYSA-N 2 0 340.458 3.424 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](N3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246478 456190233 /nfs/dbraw/zinc/19/02/33/456190233.db2.gz CPQMDDYCWHPJEL-SFTDATJTSA-N 2 0 327.516 3.069 10 0 EGAERP CN1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]1c1ccccc1 ZINC000297657178 456271899 /nfs/dbraw/zinc/27/18/99/456271899.db2.gz NRHPUDRIWZBWPC-LEWJYISDSA-N 2 0 336.483 3.085 10 0 EGAERP CC(C)[NH+](CCCNC(=O)NCC[N@H+](C)C1CCCCC1)C(C)C ZINC000347660842 456287993 /nfs/dbraw/zinc/28/79/93/456287993.db2.gz SWMGQMWPNYGIPU-UHFFFAOYSA-N 2 0 340.556 3.059 10 0 EGAERP Cc1cc(N2CC[NH+](CCOc3ccc(Cl)cc3)CC2)cc[nH+]1 ZINC000302306269 456334502 /nfs/dbraw/zinc/33/45/02/456334502.db2.gz OBZHEAVUIZKCBT-UHFFFAOYSA-N 2 0 331.847 3.244 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccccc1C[N@@H+]1CCCC[C@H]1C ZINC000340477085 456485106 /nfs/dbraw/zinc/48/51/06/456485106.db2.gz WZHCFHRPOJHHDX-YLJYHZDGSA-N 2 0 341.503 3.221 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[C@@H]21 ZINC000340467737 456477810 /nfs/dbraw/zinc/47/78/10/456477810.db2.gz TXPLVKKMVIQNCL-JYJNAYRXSA-N 2 0 327.394 3.105 10 0 EGAERP Cc1cn2cc(NC(=O)N[C@H]3CC[N@@H+](C)[C@H]3c3ccccc3)ccc2n1 ZINC000276476297 456492789 /nfs/dbraw/zinc/49/27/89/456492789.db2.gz ZNOZGEWENBYOPD-HKUYNNGSSA-N 2 0 349.438 3.210 10 0 EGAERP COc1ccc(CN2CCN(c3cnccc3C)CC2)c(C)c1OC ZINC000348286296 456599093 /nfs/dbraw/zinc/59/90/93/456599093.db2.gz YOSMIZAOEFRWRG-UHFFFAOYSA-N 2 0 341.455 3.038 10 0 EGAERP COC1(C[C@@H](C)[NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CCC1 ZINC000277015408 456652634 /nfs/dbraw/zinc/65/26/34/456652634.db2.gz CNKHZGYFKJESTD-QGZVFWFLSA-N 2 0 346.515 3.081 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(O[C@@H]2CCOC2)c1 ZINC000353407927 456682350 /nfs/dbraw/zinc/68/23/50/456682350.db2.gz SWSXFOCCOWAVFY-UAFMIMERSA-N 2 0 344.499 3.125 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@@H]21 ZINC000353444507 456699539 /nfs/dbraw/zinc/69/95/39/456699539.db2.gz VQROWDFWSDOJOR-HKBOAZHASA-N 2 0 345.506 3.253 10 0 EGAERP Fc1ccc(CN(Cc2cccnc2)C[C@H]2CC[NH2+]C2)cc1Cl ZINC000328653092 456728704 /nfs/dbraw/zinc/72/87/04/456728704.db2.gz WTDXETBBIDROLT-INIZCTEOSA-N 2 0 333.838 3.486 10 0 EGAERP C[NH+](C)Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000339050848 456916336 /nfs/dbraw/zinc/91/63/36/456916336.db2.gz YAEDLDLZXZGHEX-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP Cc1cnn(CC[N@@H+]2CC[C@]3(C2)CCC[NH+](Cc2ccccc2)C3)c1 ZINC000341893976 456989661 /nfs/dbraw/zinc/98/96/61/456989661.db2.gz IKAJWSNCHONVDM-NRFANRHFSA-N 2 0 338.499 3.180 10 0 EGAERP Cc1cccc2c1[C@H](C)C[C@@H]2[NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C ZINC000347241876 457306943 /nfs/dbraw/zinc/30/69/43/457306943.db2.gz XODDIPMEHYWETF-NEWSRXKRSA-N 2 0 345.531 3.225 10 0 EGAERP CN1CC[C@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352082146 457336906 /nfs/dbraw/zinc/33/69/06/457336906.db2.gz HXYVITCLRRXEFL-JLSDUUJJSA-N 2 0 339.886 3.298 10 0 EGAERP C[NH+](C)CCC1CC[NH+](Cc2cnc(-c3ccncc3)s2)CC1 ZINC000352659372 457509635 /nfs/dbraw/zinc/50/96/35/457509635.db2.gz NHCAZLPWQVDJDU-UHFFFAOYSA-N 2 0 330.501 3.369 10 0 EGAERP CS[C@@H]1CC[C@@H]1[NH2+]CCCC[NH+]1CCN(c2cccc(C)c2)CC1 ZINC000425355850 457515473 /nfs/dbraw/zinc/51/54/73/457515473.db2.gz LRXQWKKFTGAAGX-VQTJNVASSA-N 2 0 347.572 3.381 10 0 EGAERP CS[C@@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(Cc2ccccc2)CC1 ZINC000425363958 457520324 /nfs/dbraw/zinc/52/03/24/457520324.db2.gz YAVOLEBIGIDKBX-WOJBJXKFSA-N 2 0 347.572 3.068 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000356304593 457562757 /nfs/dbraw/zinc/56/27/57/457562757.db2.gz JGPTYQQTURTUNB-MOPGFXCFSA-N 2 0 345.531 3.123 10 0 EGAERP [NH3+]C1(CNC(=O)C2CC[NH+](Cc3ccccc3)CC2)CCCCCC1 ZINC000374439980 457628115 /nfs/dbraw/zinc/62/81/15/457628115.db2.gz WBTNFDVILBFINE-UHFFFAOYSA-N 2 0 343.515 3.067 10 0 EGAERP C[NH+](C)[C@@H](CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CC1 ZINC000447543918 458307851 /nfs/dbraw/zinc/30/78/51/458307851.db2.gz UBTUVTDLIWIWJC-BURNTYAHSA-N 2 0 327.516 3.112 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)[C@H](C)C1 ZINC000429350464 458319467 /nfs/dbraw/zinc/31/94/67/458319467.db2.gz QCBRWZXXUCMHOF-RHSMWYFYSA-N 2 0 337.895 3.331 10 0 EGAERP c1nc(C2CC2)ncc1CN1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000459335289 458334112 /nfs/dbraw/zinc/33/41/12/458334112.db2.gz HZLSPVOCVJOROT-KRWDZBQOSA-N 2 0 328.504 3.442 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)N(C2CC2)C2CCC(C)CC2)[C@H](C)C1 ZINC000429814368 458374094 /nfs/dbraw/zinc/37/40/94/458374094.db2.gz ZORHJIUYXZZIPO-MKQGEQSTSA-N 2 0 349.563 3.218 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000459480596 458386443 /nfs/dbraw/zinc/38/64/43/458386443.db2.gz MCHLXZOABMVIEF-LJQANCHMSA-N 2 0 330.476 3.005 10 0 EGAERP CSC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CCOCC1 ZINC000373143434 458408939 /nfs/dbraw/zinc/40/89/39/458408939.db2.gz WXDIXXHUHXKYRC-PKOBYXMFSA-N 2 0 348.556 3.399 10 0 EGAERP C[C@H](CCC[NH3+])[NH2+][C@@H]1CCCOc2ccc(Br)cc21 ZINC000423462930 458436368 /nfs/dbraw/zinc/43/63/68/458436368.db2.gz UUVHAHAQTHXRMH-BXUZGUMPSA-N 2 0 327.266 3.380 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000423483572 458439369 /nfs/dbraw/zinc/43/93/69/458439369.db2.gz QHCLKYXHVGRKNF-MANSERQUSA-N 2 0 349.469 3.016 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CN(Cc2ccccc2)C1 ZINC000459662699 458439868 /nfs/dbraw/zinc/43/98/68/458439868.db2.gz VCINODYTVRQPKE-FXAWDEMLSA-N 2 0 334.467 3.335 10 0 EGAERP C[C@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423716730 458475308 /nfs/dbraw/zinc/47/53/08/458475308.db2.gz YAVXJNQKVILFOV-OXJNMPFZSA-N 2 0 337.467 3.053 10 0 EGAERP CCc1ccc([C@@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000431556764 458588091 /nfs/dbraw/zinc/58/80/91/458588091.db2.gz MFKIOPAAFROJHQ-VQTJNVASSA-N 2 0 345.531 3.232 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2ccccc2Br)[C@H](C)C1 ZINC000470176342 458620860 /nfs/dbraw/zinc/62/08/60/458620860.db2.gz WDCNNLRCVJOHGX-CJNGLKHVSA-N 2 0 325.294 3.312 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@@H]3CC[N@H+](Cc4ccccc4)C3)C[C@H]2C1 ZINC000424359112 458625422 /nfs/dbraw/zinc/62/54/22/458625422.db2.gz XZXRWRWNJYNZPE-JRSUCEMESA-N 2 0 328.500 3.302 10 0 EGAERP CC[C@H]1CCC[N@@H+](C(C)(C)CNC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000431790229 458625601 /nfs/dbraw/zinc/62/56/01/458625601.db2.gz FRMLCYDUDNYQRV-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1CC2(C[N@@H+]1Cc1cnc(-c3ccccn3)s1)CC[NH2+]CC2 ZINC000424379290 458628473 /nfs/dbraw/zinc/62/84/73/458628473.db2.gz OJBBNUWIAWXCDZ-AWEZNQCLSA-N 2 0 328.485 3.169 10 0 EGAERP C[C@@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000463069771 458675311 /nfs/dbraw/zinc/67/53/11/458675311.db2.gz BJNJPXKWWMQUCT-UXHICEINSA-N 2 0 343.559 3.404 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2cccc3[nH]ccc32)[C@@H](C)C1 ZINC000503927934 458730525 /nfs/dbraw/zinc/73/05/25/458730525.db2.gz KUMLEIYWLJBUSN-PXNSSMCTSA-N 2 0 343.515 3.437 10 0 EGAERP C[C@@H]1C[N@H+](CCC[NH2+][C@H](C[C@@H]2CCOC2)c2ccccc2)CCCO1 ZINC000432432838 458738539 /nfs/dbraw/zinc/73/85/39/458738539.db2.gz YUBBZDAVUIPPIA-SVFBPWRDSA-N 2 0 346.515 3.245 10 0 EGAERP Cc1nn2c(C[NH2+]Cc3ccc4c[nH+]cn4c3)c(C(C)C)nc2s1 ZINC000519586597 458968804 /nfs/dbraw/zinc/96/88/04/458968804.db2.gz HNLAOZDCPVQTKX-UHFFFAOYSA-N 2 0 340.456 3.160 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000556920978 459032883 /nfs/dbraw/zinc/03/28/83/459032883.db2.gz RNXIUZQYFBQDPQ-SESVDKBCSA-N 3 0 329.532 3.361 10 0 EGAERP COC(=O)c1cc(C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)c(C)o1 ZINC000594598919 459104801 /nfs/dbraw/zinc/10/48/01/459104801.db2.gz DCXNQUFKTJBLGC-HUUCEWRRSA-N 2 0 336.476 3.222 10 0 EGAERP COC(=O)c1cc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)c(C)o1 ZINC000594609861 459110174 /nfs/dbraw/zinc/11/01/74/459110174.db2.gz UPPHRZQPAUGBEG-UHFFFAOYSA-N 2 0 336.476 3.222 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH2+]C1CC[NH+](CC2CC2)CC1 ZINC000567679122 459143753 /nfs/dbraw/zinc/14/37/53/459143753.db2.gz LQEKACJEHAFUBM-LJQANCHMSA-N 2 0 346.515 3.014 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+]1CCCC[C@@H]1C ZINC000480624224 459209305 /nfs/dbraw/zinc/20/93/05/459209305.db2.gz JGFMCLQPEAZPRN-SVFBPWRDSA-N 2 0 329.532 3.361 10 0 EGAERP C[C@@H]1CCC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000480620643 459210260 /nfs/dbraw/zinc/21/02/60/459210260.db2.gz VRIJXXJQENJMHO-DYXWJJEUSA-N 2 0 329.532 3.219 10 0 EGAERP C[C@@H]1C[C@@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650974 459237182 /nfs/dbraw/zinc/23/71/82/459237182.db2.gz VHAFCACMMWQJAJ-HOJAQTOUSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H]([NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1)C1CCCCCC1 ZINC000541542892 459465050 /nfs/dbraw/zinc/46/50/50/459465050.db2.gz IAUCXPKCYUAVJN-KRWDZBQOSA-N 2 0 345.531 3.427 10 0 EGAERP [NH3+]C1(C[NH2+]C2CCC3(CC2)c2ccccc2NC3=O)CCCCCC1 ZINC000583316330 459518574 /nfs/dbraw/zinc/51/85/74/459518574.db2.gz NRIWTQBKVJKAKR-UHFFFAOYSA-N 2 0 341.499 3.460 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[C@@H]1SC ZINC000592393807 459589684 /nfs/dbraw/zinc/58/96/84/459589684.db2.gz CUGMJMLFRUVUFZ-FLNBYBTLSA-N 2 0 348.556 3.396 10 0 EGAERP FC(F)(F)COCC[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499138994 459623027 /nfs/dbraw/zinc/62/30/27/459623027.db2.gz LHSQNWGBXBRGSB-OSYLJGHBSA-N 2 0 342.405 3.351 10 0 EGAERP c1nc2ccccc2n1C[C@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574577531 459836169 /nfs/dbraw/zinc/83/61/69/459836169.db2.gz ARUMHRVVDMNELF-HXUWFJFHSA-N 2 0 346.478 3.347 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000575130400 459933637 /nfs/dbraw/zinc/93/36/37/459933637.db2.gz YOIYSBXJGDIAGT-UHFFFAOYSA-N 3 0 329.532 3.276 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2c(C)[nH]c(C(=O)OCC)c2C)CC1 ZINC000598963840 460105246 /nfs/dbraw/zinc/10/52/46/460105246.db2.gz QMZDSRUWWUKFLW-UHFFFAOYSA-N 2 0 335.492 3.020 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@@H]([NH2+]C[C@H]1CCCC[N@H+](C)C1)CCC2 ZINC000599069211 460150738 /nfs/dbraw/zinc/15/07/38/460150738.db2.gz DCJLWHMTIIHNQO-BEFAXECRSA-N 2 0 330.472 3.172 10 0 EGAERP Cc1cccc([C@H]([NH2+]CC(=O)NC2CC[NH+](C(C)C)CC2)C(C)C)c1 ZINC000625984059 460326798 /nfs/dbraw/zinc/32/67/98/460326798.db2.gz JSLXDGBZCSXZDA-OAQYLSRUSA-N 2 0 345.531 3.271 10 0 EGAERP CCOC(=O)c1cccc(C[NH2+]CC2CC[NH+](CCC(C)C)CC2)n1 ZINC000600137221 460400313 /nfs/dbraw/zinc/40/03/13/460400313.db2.gz LGMMTKFOVGIWHY-UHFFFAOYSA-N 2 0 347.503 3.106 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)CCC2 ZINC000600181000 460423246 /nfs/dbraw/zinc/42/32/46/460423246.db2.gz PBGSEFDJDVQZDC-ROUUACIJSA-N 2 0 344.499 3.356 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623903293 460768252 /nfs/dbraw/zinc/76/82/52/460768252.db2.gz BKYJNFOHHGAOGA-WMZOPIPTSA-N 2 0 344.503 3.095 10 0 EGAERP COc1ccc([C@H](Cc2ccccc2)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629519258 460792717 /nfs/dbraw/zinc/79/27/17/460792717.db2.gz FINYBSKORQGCMY-FQEVSTJZSA-N 2 0 340.467 3.077 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H]1CCCc2nc(-c3ccccc3)sc21 ZINC000629529193 460798160 /nfs/dbraw/zinc/79/81/60/460798160.db2.gz UYEGJZFURBKLNW-HNNXBMFYSA-N 2 0 331.485 3.013 10 0 EGAERP C(C[NH+]1CCC(Cc2nc(C3CCCCC3)no2)CC1)[C@@H]1CC[NH2+]C1 ZINC000629549589 460804544 /nfs/dbraw/zinc/80/45/44/460804544.db2.gz KBMMBLNHPOEJHE-KRWDZBQOSA-N 2 0 346.519 3.371 10 0 EGAERP COc1ccc(CN2CC[C@@H](C[NH+]3CCCC3)C2)cc1OC1CC1 ZINC000628182248 461035724 /nfs/dbraw/zinc/03/57/24/461035724.db2.gz LGBXPPWSKRVSHU-KRWDZBQOSA-N 2 0 330.472 3.154 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000636122020 461046766 /nfs/dbraw/zinc/04/67/66/461046766.db2.gz ARDFAFKJVZNHLP-MRXNPFEDSA-N 2 0 347.528 3.155 10 0 EGAERP Cc1ccc([C@@H](C)C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000628337743 461093272 /nfs/dbraw/zinc/09/32/72/461093272.db2.gz POFOVVNVYIQPNQ-PGRDOPGGSA-N 2 0 338.495 3.455 10 0 EGAERP CC(C)[C@@H](CO)[N@H+](Cc1ccccc1)Cc1cccc2c1CC[NH2+]C2 ZINC000662253690 461144658 /nfs/dbraw/zinc/14/46/58/461144658.db2.gz BTABAKLIJBDZHR-JOCHJYFZSA-N 2 0 338.495 3.351 10 0 EGAERP Fc1cccc(Cl)c1C[C@@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252374 461145950 /nfs/dbraw/zinc/14/59/50/461145950.db2.gz NHLQGNULCXHGJO-UONOGXRCSA-N 2 0 338.854 3.007 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)cc3cccnc32)C1 ZINC000652363037 461157426 /nfs/dbraw/zinc/15/74/26/461157426.db2.gz VZYLBQCLAWGHLC-CEXWTWQISA-N 2 0 343.446 3.235 10 0 EGAERP Clc1ccccc1[C@H]1C[NH2+]CCN1Cc1cccc2c1CC[NH2+]C2 ZINC000662272786 461160654 /nfs/dbraw/zinc/16/06/54/461160654.db2.gz PUSVZUTXSWUQRD-HXUWFJFHSA-N 2 0 341.886 3.132 10 0 EGAERP CCc1ccc([C@@H]2C[N@H+](Cc3cccc4c3CC[NH2+]C4)CCO2)cc1 ZINC000662279827 461162099 /nfs/dbraw/zinc/16/20/99/461162099.db2.gz MASQXMICGSEDEC-QFIPXVFZSA-N 2 0 336.479 3.468 10 0 EGAERP [NH3+][C@@H]1CCO[C@H](C2CC[NH+](CCSc3ccc(F)cc3)CC2)C1 ZINC000662282427 461164990 /nfs/dbraw/zinc/16/49/90/461164990.db2.gz UUCZGFUYQWAQKI-AEFFLSMTSA-N 2 0 338.492 3.136 10 0 EGAERP Cc1cc(C)cc(NC(=O)[C@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293030 461169824 /nfs/dbraw/zinc/16/98/24/461169824.db2.gz IRLKLMFQBYPWLQ-HKUYNNGSSA-N 2 0 343.515 3.342 10 0 EGAERP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294233 461172724 /nfs/dbraw/zinc/17/27/24/461172724.db2.gz PZWFXYDMTCNQGF-ZBFHGGJFSA-N 2 0 337.533 3.452 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)C[C@@H]2[NH2+]Cc3ccccc32)CC1 ZINC000662463794 461253967 /nfs/dbraw/zinc/25/39/67/461253967.db2.gz ICUKFYHYHNCNLU-FQEVSTJZSA-N 2 0 343.515 3.192 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]CCc3ccc(Cl)cc3)cc2)C1 ZINC000668488704 461302619 /nfs/dbraw/zinc/30/26/19/461302619.db2.gz DVHYSSVHFWCDDC-FQEVSTJZSA-N 2 0 344.886 3.239 10 0 EGAERP O=C(Nc1cccc(C[NH+]2CCCCC2)c1)C1([NH2+]C2CC2)CCC1 ZINC000662681721 461345796 /nfs/dbraw/zinc/34/57/96/461345796.db2.gz CEIZPVVWOGOUBQ-UHFFFAOYSA-N 2 0 327.472 3.286 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CCCN2CC[N@H+](C)C[C@H]2c2ccccc2)CS1 ZINC000655688082 461362184 /nfs/dbraw/zinc/36/21/84/461362184.db2.gz JYTQPFOYCFJORO-HOJAQTOUSA-N 2 0 347.572 3.239 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806189 461465509 /nfs/dbraw/zinc/46/55/09/461465509.db2.gz QULAJYGSMBKVEV-SLEUVZQESA-N 2 0 343.284 3.449 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@H](c2cccnc2)c2ccc(F)cc2F)C1 ZINC000655805392 461466397 /nfs/dbraw/zinc/46/63/97/461466397.db2.gz MYXQQQOXANRPAU-ACWOFJMJSA-N 2 0 331.410 3.379 10 0 EGAERP COCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000655819253 461475047 /nfs/dbraw/zinc/47/50/47/461475047.db2.gz XSTNXUIGRCBTPW-HSALFYBXSA-N 2 0 328.500 3.303 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647180398 461548852 /nfs/dbraw/zinc/54/88/52/461548852.db2.gz WFBWLTKEFYDPQF-HXUWFJFHSA-N 2 0 327.516 3.115 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]Cc2ncc(Br)cc2Cl)CC1 ZINC000631109170 461557902 /nfs/dbraw/zinc/55/79/02/461557902.db2.gz MMUDXDSTXANGLF-UHFFFAOYSA-N 2 0 346.700 3.319 10 0 EGAERP Cc1cccn2c(C[NH2+]C[C@@H]3C[N@@H+](C)C[C@H]3c3ccccc3)cnc12 ZINC000647248751 461588283 /nfs/dbraw/zinc/58/82/83/461588283.db2.gz AAEBVYAUPSRADU-QUCCMNQESA-N 2 0 334.467 3.078 10 0 EGAERP COc1ccccc1N1CCC([NH2+]Cc2ccc3c[nH+]cn3c2)CC1 ZINC000631156713 461596465 /nfs/dbraw/zinc/59/64/65/461596465.db2.gz AVLAHVPFIPZDIX-UHFFFAOYSA-N 2 0 336.439 3.102 10 0 EGAERP COC[C@@H](Cc1ccccc1)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000647344600 461646893 /nfs/dbraw/zinc/64/68/93/461646893.db2.gz VGNTYPVUSAYZMV-VSKRKVRLSA-N 2 0 338.495 3.179 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663596289 461719056 /nfs/dbraw/zinc/71/90/56/461719056.db2.gz UVARNAQJDHPCHE-QGZVFWFLSA-N 2 0 344.503 3.040 10 0 EGAERP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2cccnc2)cc1 ZINC000656403182 461734416 /nfs/dbraw/zinc/73/44/16/461734416.db2.gz AGWDTMTYGQQVAH-GPJHCHHRSA-N 2 0 347.506 3.467 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CC[C@H](c2ccccc2)O1 ZINC000643489624 461745129 /nfs/dbraw/zinc/74/51/29/461745129.db2.gz HPVONWVZQJACNY-LXGCGDOSSA-N 2 0 325.456 3.420 10 0 EGAERP c1ccc2c(c1)CC[C@@H](C[NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000639304083 461852154 /nfs/dbraw/zinc/85/21/54/461852154.db2.gz WOVANVJSPWOVSX-LJQANCHMSA-N 2 0 342.527 3.272 10 0 EGAERP COc1ccc(OC)c(C[N@H+](CCCC2CC[NH2+]CC2)C2CC2)c1 ZINC000647875883 461866834 /nfs/dbraw/zinc/86/68/34/461866834.db2.gz LRHNDKHSFBJYAY-UHFFFAOYSA-N 2 0 332.488 3.448 10 0 EGAERP FC(F)(F)COc1cccc(C[NH2+][C@H]2CC[NH2+]C3(CCC3)C2)c1 ZINC000666998352 461905624 /nfs/dbraw/zinc/90/56/24/461905624.db2.gz OYHNOVFHCHJTRK-AWEZNQCLSA-N 2 0 328.378 3.392 10 0 EGAERP CCO[C@@H]1C[N@H+](C[C@H](C)c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000650714044 461906319 /nfs/dbraw/zinc/90/63/19/461906319.db2.gz OQRLBCGRYMFXOO-JGGQBBKZSA-N 2 0 330.394 3.105 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000650719604 461911187 /nfs/dbraw/zinc/91/11/87/461911187.db2.gz VOYQRVDGTJNYOR-OAHLLOKOSA-N 2 0 326.440 3.246 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000650748020 461930937 /nfs/dbraw/zinc/93/09/37/461930937.db2.gz LMXVHWTWJSHUSE-ZCNNSNEGSA-N 3 0 327.516 3.148 10 0 EGAERP COCC[N@H+](C)CCC[NH2+]Cc1ccc(-c2scnc2C)cc1 ZINC000657307536 462032794 /nfs/dbraw/zinc/03/27/94/462032794.db2.gz FVSIGVFADPAYHV-UHFFFAOYSA-N 2 0 333.501 3.176 10 0 EGAERP Cc1cc(N[C@H]2CC[N@@H+](C3CCCCC3)C2)nc(-c2ccncc2)n1 ZINC000664402336 462046659 /nfs/dbraw/zinc/04/66/59/462046659.db2.gz CIFZXGBOFGDNOY-KRWDZBQOSA-N 2 0 337.471 3.088 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCCN(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657362694 462072296 /nfs/dbraw/zinc/07/22/96/462072296.db2.gz GCMOTSKIWJBOJQ-QGZVFWFLSA-N 2 0 333.439 3.026 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657414695 462107238 /nfs/dbraw/zinc/10/72/38/462107238.db2.gz UOOJXNPPGVSKQO-UHFFFAOYSA-N 2 0 344.272 3.193 10 0 EGAERP COc1ccc(C[C@@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657419267 462110558 /nfs/dbraw/zinc/11/05/58/462110558.db2.gz LIHRIORPINMXBX-MRXNPFEDSA-N 2 0 336.439 3.244 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CO1 ZINC000657432625 462118993 /nfs/dbraw/zinc/11/89/93/462118993.db2.gz ULYALDYMJDUPKS-FDKIHUSFSA-N 2 0 328.500 3.444 10 0 EGAERP c1ccc2c(c1)CCC[C@@H]([NH2+]C1CC[NH+](C[C@H]3CCOC3)CC1)C2 ZINC000648457652 462128393 /nfs/dbraw/zinc/12/83/93/462128393.db2.gz WZDZQPSOMQHCGC-DYESRHJHSA-N 2 0 328.500 3.025 10 0 EGAERP CN1CCC[C@H]([NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)C1 ZINC000651198352 462132338 /nfs/dbraw/zinc/13/23/38/462132338.db2.gz BXDLNKCDRUIKPL-BURNTYAHSA-N 2 0 327.516 3.113 10 0 EGAERP COCc1csc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000657501048 462157753 /nfs/dbraw/zinc/15/77/53/462157753.db2.gz VBCRLROVNFCVOB-MJGOQNOKSA-N 2 0 330.497 3.330 10 0 EGAERP Cc1ccccc1C[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537294 462171679 /nfs/dbraw/zinc/17/16/79/462171679.db2.gz GYPOPKKMIUGVEO-GOSISDBHSA-N 2 0 330.516 3.407 10 0 EGAERP c1cc2cnccc2c(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657537253 462172214 /nfs/dbraw/zinc/17/22/14/462172214.db2.gz FIPOPFANKXKHJU-UHFFFAOYSA-N 2 0 339.483 3.215 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(-c2ccccc2)s1 ZINC000657573373 462187345 /nfs/dbraw/zinc/18/73/45/462187345.db2.gz KOQWARFVNXOGET-INIZCTEOSA-N 2 0 346.544 3.172 10 0 EGAERP CSc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657595318 462197384 /nfs/dbraw/zinc/19/73/84/462197384.db2.gz OQYHNGNBZCVMDW-LJQANCHMSA-N 2 0 342.508 3.265 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)cc3F)cc2)C1 ZINC000657594865 462197672 /nfs/dbraw/zinc/19/76/72/462197672.db2.gz DVVNSYNDZPQVRU-GOSISDBHSA-N 2 0 348.849 3.336 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)[C@@H](C)C1 ZINC000667666844 462201292 /nfs/dbraw/zinc/20/12/92/462201292.db2.gz ZIBRBXZOYHAFHG-VDGAXYAQSA-N 2 0 332.488 3.016 10 0 EGAERP FC1(F)C[C@@H]1OCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000657618563 462205548 /nfs/dbraw/zinc/20/55/48/462205548.db2.gz HELBTLHGNOTQKK-IRXDYDNUSA-N 2 0 336.426 3.197 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H](C)C1 ZINC000651469384 462238147 /nfs/dbraw/zinc/23/81/47/462238147.db2.gz LMAVLAJDWUDJIN-ZGRYLRDCSA-N 2 0 348.478 3.263 10 0 EGAERP CCC[N@@H+]1CC[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000657741182 462247171 /nfs/dbraw/zinc/24/71/71/462247171.db2.gz FFSIOOWRDLMYRE-PMACEKPBSA-N 2 0 327.516 3.258 10 0 EGAERP C=Cn1cc(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771632 462260236 /nfs/dbraw/zinc/26/02/36/462260236.db2.gz DPHWHGBRDMEQFG-HXUWFJFHSA-N 2 0 336.483 3.376 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc2cnccc2o1 ZINC000657919963 462318977 /nfs/dbraw/zinc/31/89/77/462318977.db2.gz SKGDMMGWDBQBLY-OAGGEKHMSA-N 2 0 331.460 3.368 10 0 EGAERP C[C@@H](CC(=O)Nc1ccccc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250626 462368451 /nfs/dbraw/zinc/36/84/51/462368451.db2.gz XWEHMAQZHJTMMI-PWIZWCRZSA-N 2 0 337.467 3.139 10 0 EGAERP CC(C)n1ccc(C[C@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)n1 ZINC000665251655 462368537 /nfs/dbraw/zinc/36/85/37/462368537.db2.gz VMXAECWBTVDRFM-PWIZWCRZSA-N 2 0 326.488 3.130 10 0 EGAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21)OC ZINC000658083453 462375489 /nfs/dbraw/zinc/37/54/89/462375489.db2.gz QQWJFWJEXGGUEK-DOIPELPJSA-N 2 0 346.515 3.071 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)c3c2cccc3C)CC1 ZINC000665287645 462386138 /nfs/dbraw/zinc/38/61/38/462386138.db2.gz QRURXBRTASYLRH-QFBILLFUSA-N 2 0 343.515 3.124 10 0 EGAERP Cc1ccncc1CC[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658127750 462396044 /nfs/dbraw/zinc/39/60/44/462396044.db2.gz VSQPAQMEDLCNLL-QGZVFWFLSA-N 2 0 327.472 3.224 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cn1 ZINC000658139221 462401851 /nfs/dbraw/zinc/40/18/51/462401851.db2.gz PMFGVYJJEVOSTE-RTBURBONSA-N 2 0 343.446 3.028 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2C[C@H](O)C23CCC3)CC1 ZINC000658254085 462444505 /nfs/dbraw/zinc/44/45/05/462444505.db2.gz XXLDNNVHBLVTQV-GUMHCPJTSA-N 2 0 328.500 3.323 10 0 EGAERP CN1CC[NH+](CCCC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139283 462447426 /nfs/dbraw/zinc/44/74/26/462447426.db2.gz GOCGRNLRNHFHPY-NRFANRHFSA-N 2 0 344.547 3.320 10 0 EGAERP CCCCC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000662155278 462532262 /nfs/dbraw/zinc/53/22/62/462532262.db2.gz LKQZZSNQQIFJRL-IBGZPJMESA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H]([NH2+][C@H]1CCN(C)[C@@H]1c1ccc(Cl)cc1)C1CC[NH+](C)CC1 ZINC000090916637 546661948 /nfs/dbraw/zinc/66/19/48/546661948.db2.gz GAHADDNFFFISJB-ZOCIIQOWSA-N 2 0 335.923 3.405 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CC[NH+](C)CC1 ZINC000119693839 546708480 /nfs/dbraw/zinc/70/84/80/546708480.db2.gz UIZGWMDSBNLVLG-NQIIRXRSSA-N 3 0 329.532 3.361 10 0 EGAERP C[C@H](C[NH2+][C@H](Cc1ccccc1)C1CCCCC1)N1CC[NH+](C)CC1 ZINC000127571935 546771669 /nfs/dbraw/zinc/77/16/69/546771669.db2.gz HBFCIAOBTYAUCB-DENIHFKCSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@@]1(CNC2CC[NH+](C3CC3)CC2)CCC[N@@H+]1Cc1ccccc1 ZINC000398112019 547837447 /nfs/dbraw/zinc/83/74/47/547837447.db2.gz RYCOFCVPVHKLPL-NRFANRHFSA-N 2 0 327.516 3.258 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@@H]3CC[N@H+](C)[C@H]4CCC[C@@H]43)c2c1 ZINC000671747280 548350986 /nfs/dbraw/zinc/35/09/86/548350986.db2.gz DBOXHMFRXLBQON-AHRSYUTCSA-N 2 0 327.472 3.181 10 0 EGAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC[C@@H]1CCCC[NH+]1C ZINC000675499039 548930159 /nfs/dbraw/zinc/93/01/59/548930159.db2.gz JXNANDMPIOHHBG-FPOVZHCZSA-N 2 0 329.532 3.457 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC(C)(C)[C@H]1CCCCO1 ZINC000680128912 549825006 /nfs/dbraw/zinc/82/50/06/549825006.db2.gz LMOCPMLXOCKFRB-GOSISDBHSA-N 2 0 328.460 3.261 10 0 EGAERP COc1ccc2c(c1)CC[C@@H]([NH2+]Cc1cn(-c3cc[nH+]cc3)nc1C)C2 ZINC000680137305 549825983 /nfs/dbraw/zinc/82/59/83/549825983.db2.gz WUSZVEXEPMRLKW-LJQANCHMSA-N 2 0 348.450 3.231 10 0 EGAERP COc1ccc2c(c1)CC[C@H]([NH2+]Cc1cn(-c3cc[nH+]cc3)nc1C)C2 ZINC000680137301 549826018 /nfs/dbraw/zinc/82/60/18/549826018.db2.gz WUSZVEXEPMRLKW-IBGZPJMESA-N 2 0 348.450 3.231 10 0 EGAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000680145068 549827030 /nfs/dbraw/zinc/82/70/30/549827030.db2.gz QEJMIIOCIYXMJO-QHAWAJNXSA-N 2 0 336.483 3.175 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000684370230 550320596 /nfs/dbraw/zinc/32/05/96/550320596.db2.gz QENHKMBZIGBPKL-RTBURBONSA-N 2 0 334.504 3.454 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](C[NH2+][C@H]3CCN(c4ccccc4)C3)C2)cc1 ZINC000684409241 550326407 /nfs/dbraw/zinc/32/64/07/550326407.db2.gz LRXYGJMZJLOPQL-RTWAWAEBSA-N 2 0 335.495 3.377 10 0 EGAERP C[C@](O)(C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000730080726 574921412 /nfs/dbraw/zinc/92/14/12/574921412.db2.gz IOFLVOQJHWALRC-FPOVZHCZSA-N 2 0 330.516 3.482 10 0 EGAERP [NH3+]C[C@@H]1CC[N@H+](Cc2ccc(-c3ccc(Br)cc3)o2)C1 ZINC000050248720 1291641197 /nfs/dbraw/zinc/64/11/97/1291641197.db2.gz CNXVLENSYFVYBD-LBPRGKRZSA-N 2 0 335.245 3.490 10 0 EGAERP C[NH+](C)[C@H](CNC(=O)C[N@@H+]1CCC[C@@H]2CCCC[C@@H]21)c1ccccc1 ZINC000216630898 1296120789 /nfs/dbraw/zinc/12/07/89/1296120789.db2.gz HGFCDEWVYMGZFN-YSIASYRMSA-N 2 0 343.515 3.060 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(N2CC[NH+](C)CC2)nc1 ZINC000872019958 1296663438 /nfs/dbraw/zinc/66/34/38/1296663438.db2.gz AYQRXMZENBLVJJ-OAHLLOKOSA-N 2 0 344.425 3.044 10 0 EGAERP C(=C/[C@H]1CCC[NH2+]C1)\c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000872174570 1296797213 /nfs/dbraw/zinc/79/72/13/1296797213.db2.gz BQZUZNUZDFOKNZ-ROJDOSBLSA-N 2 0 338.455 3.345 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)OC(C)(C)C ZINC000309924585 1297081453 /nfs/dbraw/zinc/08/14/53/1297081453.db2.gz SKFZEJCEZPQJCO-HZPDHXFCSA-N 2 0 329.529 3.247 10 0 EGAERP Brc1cc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)cs1 ZINC000310654345 1297098914 /nfs/dbraw/zinc/09/89/14/1297098914.db2.gz ZRKZARZNUFYWBW-UHFFFAOYSA-N 2 0 329.307 3.476 10 0 EGAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)CC2)cc1 ZINC000310743658 1297100297 /nfs/dbraw/zinc/10/02/97/1297100297.db2.gz BEAOBFZIZFKRSI-HXUWFJFHSA-N 3 0 341.543 3.364 10 0 EGAERP CCOC(=O)[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000386487414 1297590856 /nfs/dbraw/zinc/59/08/56/1297590856.db2.gz XAOWFYKEOHQOSZ-XUVXKRRUSA-N 2 0 344.499 3.220 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+][C@H]2CCC[C@@H]([NH+](C)C)C2)CN1C(=O)OC(C)(C)C ZINC000715550654 1298280364 /nfs/dbraw/zinc/28/03/64/1298280364.db2.gz CIUUUOITUJHYHX-LTIDMASMSA-N 2 0 339.524 3.237 10 0 EGAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](C[C@@H]4C[C@@]45CCOC5)C3)CC2)cc1 ZINC000886214970 1303396882 /nfs/dbraw/zinc/39/68/82/1303396882.db2.gz APLYYIOEEPCOIW-RBBKRZOGSA-N 2 0 340.511 3.401 10 0 EGAERP CC[C@H](C[C@@H](C)CO)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886534450 1303490341 /nfs/dbraw/zinc/49/03/41/1303490341.db2.gz IYXWOSNHLLLMEA-PPQDBTBKSA-N 2 0 330.516 3.426 10 0 EGAERP CC[C@H](C[C@@H](C)CO)[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886534453 1303490499 /nfs/dbraw/zinc/49/04/99/1303490499.db2.gz IYXWOSNHLLLMEA-VLQCVTHLSA-N 2 0 330.516 3.426 10 0 EGAERP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886620958 1303527776 /nfs/dbraw/zinc/52/77/76/1303527776.db2.gz XLNFYXTXOZKKIY-SSTJLMRISA-N 2 0 328.500 3.180 10 0 EGAERP CC(C)(C)[NH+]1CCC([NH2+]CC[C@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709201 1303573669 /nfs/dbraw/zinc/57/36/69/1303573669.db2.gz MKPTVTRMQANFLI-GOSISDBHSA-N 2 0 338.536 3.205 10 0 EGAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1COCC1(C)C ZINC000894288985 1306323612 /nfs/dbraw/zinc/32/36/12/1306323612.db2.gz ZZQIFPXVCHGZNK-LJQANCHMSA-N 2 0 328.456 3.426 10 0 EGAERP Cc1noc2ncc(C[NH2+]Cc3cccc(C[NH+]4CCCC4)c3)cc12 ZINC000894384578 1306369365 /nfs/dbraw/zinc/36/93/65/1306369365.db2.gz LTLZWHKIIYTIKP-UHFFFAOYSA-N 2 0 336.439 3.417 10 0 EGAERP CN(c1ccccc1C[N@@H+]1C[C@@H]2CSC[C@@H]2C1)C1CC[NH+](C)CC1 ZINC000895779726 1309515721 /nfs/dbraw/zinc/51/57/21/1309515721.db2.gz UKJFRKRTWATNFE-HDICACEKSA-N 2 0 345.556 3.012 10 0 EGAERP C[N@@H+]1CC[C@@H](NCc2ccc(N3CCCCC3=O)cc2)CC1(C)C ZINC000858105673 1328683357 /nfs/dbraw/zinc/68/33/57/1328683357.db2.gz MAOYMIZJDISPJK-QGZVFWFLSA-N 2 0 329.488 3.166 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000858119916 1328688487 /nfs/dbraw/zinc/68/84/87/1328688487.db2.gz ULMMEZMKJDOGDU-INIZCTEOSA-N 2 0 339.524 3.096 10 0 EGAERP CC(C)C[C@H](CNC(=O)OC(C)(C)C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133111 1328691218 /nfs/dbraw/zinc/69/12/18/1328691218.db2.gz KTQJCJLHPMWYHL-HZPDHXFCSA-N 2 0 341.540 3.388 10 0 EGAERP C[N@@H+]1CC[C@H](Nc2cccc3c2CC[NH+](CC(C)(C)O)C3)CC1(C)C ZINC000858404738 1328754073 /nfs/dbraw/zinc/75/40/73/1328754073.db2.gz NBCXAAHFCNOMJI-KRWDZBQOSA-N 2 0 345.531 3.100 10 0 EGAERP C[NH+]1CCC2(CCC[N@H+](C[C@@H]3CCC[C@H](C(F)(F)F)O3)C2)CC1 ZINC000930310479 1328830952 /nfs/dbraw/zinc/83/09/52/1328830952.db2.gz ZVBLWYXXXMFZFD-LSDHHAIUSA-N 2 0 334.426 3.294 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@H](O)c2cccc(Cl)c2)cc1 ZINC000918201740 1319932507 /nfs/dbraw/zinc/93/25/07/1319932507.db2.gz FWIYLKTWNVDSHH-IBGZPJMESA-N 2 0 348.874 3.104 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H]3CC[C@@H]4COCC[C@H]4C3)C2)cc1 ZINC000921670520 1322375768 /nfs/dbraw/zinc/37/57/68/1322375768.db2.gz GNIWDMIWBBSLND-CIAFKFPVSA-N 2 0 342.527 3.346 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CC[C@@H]3COCC[C@H]3C2)[C@H](c2ccccc2)C1 ZINC000922211242 1322479343 /nfs/dbraw/zinc/47/93/43/1322479343.db2.gz AKMAUEPWLWUBPM-QSUVIHHLSA-N 2 0 328.500 3.127 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C[C@@H]2C=C[C@H]3C[C@@H]2CO3)CCN1Cc1ccccc1 ZINC000922718367 1322601890 /nfs/dbraw/zinc/60/18/90/1322601890.db2.gz UXDPOSNEDULOHQ-PPQDBTBKSA-N 2 0 326.484 3.220 10 0 EGAERP COc1cc(OC)c(OC)cc1C[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000922848289 1322632399 /nfs/dbraw/zinc/63/23/99/1322632399.db2.gz QLBQYOQQOKKMFM-UHFFFAOYSA-N 2 0 348.487 3.209 10 0 EGAERP C[C@H]([NH3+])[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923286916 1322725804 /nfs/dbraw/zinc/72/58/04/1322725804.db2.gz BNKVDEMZOCOMJU-PWXKEOIMSA-N 2 0 342.405 3.228 10 0 EGAERP Cc1nc(C[NH+]2CCC3(CO[C@@H](C[NH3+])C3)CC2)sc1C(C)(C)C ZINC000923439141 1322751941 /nfs/dbraw/zinc/75/19/41/1322751941.db2.gz CTUSLMFTYQWCBB-CQSZACIVSA-N 2 0 337.533 3.079 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000923449351 1322753552 /nfs/dbraw/zinc/75/35/52/1322753552.db2.gz MUGZNQDXTKAKQB-MRXNPFEDSA-N 2 0 343.496 3.140 10 0 EGAERP C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1C[NH3+] ZINC000923494460 1322761638 /nfs/dbraw/zinc/76/16/38/1322761638.db2.gz XVNXFSJGLGXONW-JJAZEVLHSA-N 2 0 342.405 3.085 10 0 EGAERP CCOC(=O)c1oc2ccccc2c1C[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499013 1322763083 /nfs/dbraw/zinc/76/30/83/1322763083.db2.gz PYUOSTJWVNZRIB-UONOGXRCSA-N 2 0 330.428 3.026 10 0 EGAERP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH3+])[C@H](C)C3)n2)cc1F ZINC000923502308 1322763661 /nfs/dbraw/zinc/76/36/61/1322763661.db2.gz YSGQRYUFYXQIPC-ZBFHGGJFSA-N 2 0 346.450 3.033 10 0 EGAERP C[C@@H]1C[N@H+](Cc2c(-c3ccccc3)nc3ccccn32)CC[C@H]1C[NH3+] ZINC000923500882 1322763989 /nfs/dbraw/zinc/76/39/89/1322763989.db2.gz PRFJUKKZWVZUOC-AEFFLSMTSA-N 2 0 334.467 3.418 10 0 EGAERP Cc1nn(Cc2ccccc2)c(Cl)c1C[N@@H+]1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000923502192 1322764014 /nfs/dbraw/zinc/76/40/14/1322764014.db2.gz XXVDFZYWUYFBRF-YOEHRIQHSA-N 2 0 346.906 3.310 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923503182 1322764169 /nfs/dbraw/zinc/76/41/69/1322764169.db2.gz HQTGAFZAZXITFQ-IKGGRYGDSA-N 2 0 331.504 3.362 10 0 EGAERP CC[N@H+](C)Cc1cc(O[C@@H]2CC[NH+](CCCC(C)(F)F)C2)ccn1 ZINC000931092394 1329048210 /nfs/dbraw/zinc/04/82/10/1329048210.db2.gz DHBPKYPWWGIDFV-QGZVFWFLSA-N 2 0 341.446 3.422 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000924647994 1323092694 /nfs/dbraw/zinc/09/26/94/1323092694.db2.gz JYFHJCPOVJPABU-NHCUHLMSSA-N 2 0 335.495 3.309 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000924692292 1323115329 /nfs/dbraw/zinc/11/53/29/1323115329.db2.gz LXZZHZFZKSVKME-IRXDYDNUSA-N 2 0 334.504 3.168 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cc(O)cc(F)c1 ZINC000924704578 1323123067 /nfs/dbraw/zinc/12/30/67/1323123067.db2.gz QQOKFNPYHHJJNY-CQSZACIVSA-N 2 0 332.419 3.323 10 0 EGAERP COc1ccccc1[C@@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924736350 1323139879 /nfs/dbraw/zinc/13/98/79/1323139879.db2.gz WSTLKHPTAHKGMS-KXBFYZLASA-N 2 0 328.456 3.141 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1C[C@H](NC(=O)OC(C)(C)C)CC(C)(C)C1 ZINC000924855781 1323189872 /nfs/dbraw/zinc/18/98/72/1323189872.db2.gz RXWRHELYMSXHSN-CVEARBPZSA-N 2 0 341.540 3.390 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@@H]3CCCOC3)C2)cc1 ZINC000924939762 1323221791 /nfs/dbraw/zinc/22/17/91/1323221791.db2.gz XGDBRLHUQXLERM-FCEUIQTBSA-N 2 0 342.527 3.346 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000924940663 1323222830 /nfs/dbraw/zinc/22/28/30/1323222830.db2.gz OAGBKQUILONLRR-PMACEKPBSA-N 2 0 334.504 3.168 10 0 EGAERP CC[C@H](C[C@](C)(O)CC)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924968623 1323232499 /nfs/dbraw/zinc/23/24/99/1323232499.db2.gz BTKDGZPVGBJACY-TZIWHRDSSA-N 2 0 348.531 3.063 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1ccc(N2CCOC2=O)cc1 ZINC000925481981 1325169575 /nfs/dbraw/zinc/16/95/75/1325169575.db2.gz PKIICUNHKATGMF-BPUTZDHNSA-N 2 0 331.460 3.200 10 0 EGAERP COc1ccccc1[C@H](CN[C@@H]1CC[NH2+]C12CCCC2)[NH+]1CCCC1 ZINC000925500153 1325179905 /nfs/dbraw/zinc/17/99/05/1325179905.db2.gz AHFRZMIBLLAZMO-AZUAARDMSA-N 2 0 343.515 3.096 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925504684 1325182112 /nfs/dbraw/zinc/18/21/12/1325182112.db2.gz LRWCPMNCCUGGSN-MOPGFXCFSA-N 2 0 332.488 3.004 10 0 EGAERP c1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925511176 1325184158 /nfs/dbraw/zinc/18/41/58/1325184158.db2.gz HWZDGWMQKAPRRA-ROUUACIJSA-N 2 0 326.488 3.184 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C[C@@H]([NH3+])C1 ZINC000925531487 1325193615 /nfs/dbraw/zinc/19/36/15/1325193615.db2.gz KUCIKZWONDZEKW-SJORKVTESA-N 3 0 335.561 3.456 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@H]([NH3+])CC(C)(C)C1 ZINC000925533429 1325195370 /nfs/dbraw/zinc/19/53/70/1325195370.db2.gz BBAPWELBWVRDSI-GTAWCEEGSA-N 2 0 329.532 3.393 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H](NC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000925543031 1325200026 /nfs/dbraw/zinc/20/00/26/1325200026.db2.gz KKVHFZFNEUCARO-ICSRJNTNSA-N 2 0 329.532 3.189 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000925544638 1325201089 /nfs/dbraw/zinc/20/10/89/1325201089.db2.gz BXHCRQFXQWMJKY-QWHCGFSZSA-N 2 0 331.382 3.018 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925550411 1325203115 /nfs/dbraw/zinc/20/31/15/1325203115.db2.gz MADDDZOGCAKGSY-JEBQAFNWSA-N 2 0 349.906 3.343 10 0 EGAERP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000925556100 1325207114 /nfs/dbraw/zinc/20/71/14/1325207114.db2.gz JUWNWWZPCSUPJD-PEVDHWGLSA-N 2 0 346.540 3.277 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565230 1325212657 /nfs/dbraw/zinc/21/26/57/1325212657.db2.gz YLGPRENPNMZXHC-UYAOXDASSA-N 2 0 329.532 3.455 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608428 1325229914 /nfs/dbraw/zinc/22/99/14/1325229914.db2.gz XQPXDNLIJAKEGN-HHXXYDBFSA-N 2 0 330.520 3.103 10 0 EGAERP CC(C)(CO)[C@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1ccccc1 ZINC000925607431 1325230177 /nfs/dbraw/zinc/23/01/77/1325230177.db2.gz PUYIIAJECLLXPP-YRXWBPOGSA-N 2 0 330.516 3.155 10 0 EGAERP 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ZINC000925723318 1325271220 /nfs/dbraw/zinc/27/12/20/1325271220.db2.gz PJIBMDXNGNYBLQ-GJZGRUSLSA-N 2 0 326.366 3.056 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21 ZINC000925727565 1325272140 /nfs/dbraw/zinc/27/21/40/1325272140.db2.gz HTUKVVHCLMRQEJ-ORQPGBAPSA-N 2 0 347.300 3.193 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1 ZINC000925729107 1325272880 /nfs/dbraw/zinc/27/28/80/1325272880.db2.gz IGPXHNMSNFMVNS-GFCCVEGCSA-N 2 0 326.309 3.228 10 0 EGAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000925766087 1325290704 /nfs/dbraw/zinc/29/07/04/1325290704.db2.gz GKGDZILFQYGUGG-IOMROCGXSA-N 2 0 336.483 3.054 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@@H]1C[NH2+]CCC1(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000925787048 1325301741 /nfs/dbraw/zinc/30/17/41/1325301741.db2.gz YTXIAQOTUAAULF-SWLSCSKDSA-N 2 0 339.386 3.065 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[NH2+]C[C@H]2C)cc1C[NH+]1CCCCC1 ZINC000925785887 1325302075 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ZINC000925856357 1325332395 /nfs/dbraw/zinc/33/23/95/1325332395.db2.gz XFELHQUTGLSECQ-QZTJIDSGSA-N 2 0 330.472 3.193 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H](C2CC2)[C@H]2CCCOC2)[C@H](c2ccccc2)C1 ZINC000926635575 1327644616 /nfs/dbraw/zinc/64/46/16/1327644616.db2.gz PEHKKQAMTAKIJO-WOZUAGRISA-N 2 0 328.500 3.127 10 0 EGAERP CC(C)CC[NH+]1CCC(NC[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)CC1 ZINC000926636648 1327647282 /nfs/dbraw/zinc/64/72/82/1327647282.db2.gz WFNCGNLVBQMBNX-IRLDBZIGSA-N 3 0 343.559 3.432 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cc(-c2ccccc2)no1 ZINC000926686126 1327666125 /nfs/dbraw/zinc/66/61/25/1327666125.db2.gz NAFKNWMIZRXXLU-IRXDYDNUSA-N 2 0 344.503 3.264 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@@H](C3CC3)C3CCOCC3)CC2)ccn1 ZINC000926691428 1327668688 /nfs/dbraw/zinc/66/86/88/1327668688.db2.gz BFSFUHOPMJONLQ-NRFANRHFSA-N 2 0 343.515 3.088 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926726973 1327686388 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c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H]([NH2+][C@H]2[C@@H]4OC[C@@H]5C[C@H]2C[C@@H]54)C3)cc1 ZINC000866444390 1330113306 /nfs/dbraw/zinc/11/33/06/1330113306.db2.gz GWMQAJBXAVQJBU-NQBPSCHVSA-N 2 0 338.495 3.195 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H](NCc2noc3cc(F)ccc23)[C@H](C)C1 ZINC000866611777 1330132786 /nfs/dbraw/zinc/13/27/86/1330132786.db2.gz WUIDMKGTAVZXLD-RHSMWYFYSA-N 2 0 349.450 3.194 10 0 EGAERP C[C@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001323083251 1387285453 /nfs/dbraw/zinc/28/54/53/1387285453.db2.gz YJTJLMAVTUZJCQ-XLIONFOSSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H]1CN(C(=O)Cc2cncn2C)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001323157521 1387303861 /nfs/dbraw/zinc/30/38/61/1387303861.db2.gz DONGTWOGFSNUEL-SJLPKXTDSA-N 2 0 348.535 3.006 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@@H]1[NH2+]CCC(C)C ZINC001323161866 1387305093 /nfs/dbraw/zinc/30/50/93/1387305093.db2.gz QBYDQOSTOYNTKN-MSOLQXFVSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001323443223 1387370773 /nfs/dbraw/zinc/37/07/73/1387370773.db2.gz PVWWJYAOFIYKTE-KRWDZBQOSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001323509066 1387379025 /nfs/dbraw/zinc/37/90/25/1387379025.db2.gz RAIPIBVMFPOLEW-MSOLQXFVSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCC(=O)N1CC[C@]2(C1)CCC[N@H+](CCC1CCCCC1)C2 ZINC001323813272 1387466111 /nfs/dbraw/zinc/46/61/11/1387466111.db2.gz QIZJCWHKSCCMAX-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1)CC(C)(C)C ZINC001324224536 1387561690 /nfs/dbraw/zinc/56/16/90/1387561690.db2.gz CETBIKBKEXVKDV-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@H]2CCCN2C(=O)C[N@H+](C)C(C)C)cc1 ZINC001324285413 1387581750 /nfs/dbraw/zinc/58/17/50/1387581750.db2.gz HYRPRNJYNJSTCQ-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2(C)CC[NH+](CC3CCC(C)CC3)CC2)C1 ZINC001324335090 1387596397 /nfs/dbraw/zinc/59/63/97/1387596397.db2.gz PBUMIZBJNXOQAT-XBMUEBEBSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001324339611 1387598536 /nfs/dbraw/zinc/59/85/36/1387598536.db2.gz KMDMAAUVRZOXOM-LXORQPIJSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C[NH2+]CCC2CCCC2)C2CCCC2)C1 ZINC001324511229 1387657338 /nfs/dbraw/zinc/65/73/38/1387657338.db2.gz ZDZVLVSKYXRHHM-QUCCMNQESA-N 2 0 349.563 3.173 10 0 EGAERP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001324619021 1387701933 /nfs/dbraw/zinc/70/19/33/1387701933.db2.gz GVZQYDOGTMEOIU-HXUWFJFHSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001324803620 1387778799 /nfs/dbraw/zinc/77/87/99/1387778799.db2.gz KEUVZKSTZHKVJM-DYESRHJHSA-N 2 0 345.531 3.236 10 0 EGAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCc2ccccc21 ZINC001194252139 1368217446 /nfs/dbraw/zinc/21/74/46/1368217446.db2.gz UYIQGSYDDZIRCD-HSZRJFAPSA-N 2 0 349.522 3.424 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325436194 1387971940 /nfs/dbraw/zinc/97/19/40/1387971940.db2.gz HVVOFGZEHGBLKE-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC001325919794 1388084473 /nfs/dbraw/zinc/08/44/73/1388084473.db2.gz IWHCDVKTAHFTML-RTBURBONSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001325943257 1388093119 /nfs/dbraw/zinc/09/31/19/1388093119.db2.gz UENJZCCIKGCTLR-SLFFLAALSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC001118804790 1371233180 /nfs/dbraw/zinc/23/31/80/1371233180.db2.gz QBFKSADRAHVXKI-BZUAXINKSA-N 2 0 339.524 3.237 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])c1 ZINC001326369053 1388167947 /nfs/dbraw/zinc/16/79/47/1388167947.db2.gz BLUKFLAQDCZQHE-PMACEKPBSA-N 2 0 345.531 3.442 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc([C@@H](C)[NH2+]CC(C)C)cc1 ZINC001326470234 1388206083 /nfs/dbraw/zinc/20/60/83/1388206083.db2.gz ZGHSJOACRFDFKX-YLJYHZDGSA-N 2 0 345.531 3.484 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001326567480 1388242237 /nfs/dbraw/zinc/24/22/37/1388242237.db2.gz STFKEUXUDNLTES-UFYCRDLUSA-N 2 0 349.563 3.338 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)C[NH+](C)C3CCC3)CC2)CC1 ZINC001327130548 1388394677 /nfs/dbraw/zinc/39/46/77/1388394677.db2.gz MVSIOTAYOKWQDH-CTWPCTMYSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)c(C)c2)CC1)[NH+](C)C ZINC001327164799 1388418423 /nfs/dbraw/zinc/41/84/23/1388418423.db2.gz WLYRGDBZSCCZEA-WOJBJXKFSA-N 2 0 345.531 3.114 10 0 EGAERP CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001327213436 1388447141 /nfs/dbraw/zinc/44/71/41/1388447141.db2.gz RCAQOKJTPPDNTO-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)C[NH+](C)C(C)C)C1 ZINC001266119871 1377196231 /nfs/dbraw/zinc/19/62/31/1377196231.db2.gz OGUHNYOISOFBAH-UXHICEINSA-N 2 0 345.531 3.401 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(C)(C)C ZINC001266223763 1377236064 /nfs/dbraw/zinc/23/60/64/1377236064.db2.gz WQKNACBTCSVJGF-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC[C@@H]1CCC[C@H](C)C1 ZINC001266575468 1377336044 /nfs/dbraw/zinc/33/60/44/1377336044.db2.gz PUEIBNDMTMGYHC-OALUTQOASA-N 2 0 349.563 3.127 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001266701911 1377363843 /nfs/dbraw/zinc/36/38/43/1377363843.db2.gz IVALIGCJYIMOIM-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001266842675 1377391389 /nfs/dbraw/zinc/39/13/89/1377391389.db2.gz SDXHRFBMXVKUCL-ASIGSXEYSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001267090079 1377411651 /nfs/dbraw/zinc/41/16/51/1377411651.db2.gz UVKMWRODTNMCTG-VQTJNVASSA-N 2 0 345.531 3.279 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001267179858 1377425282 /nfs/dbraw/zinc/42/52/82/1377425282.db2.gz SPKQIUJCJUAKCL-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001267181334 1377427197 /nfs/dbraw/zinc/42/71/97/1377427197.db2.gz ITXBNJPSIYSHJL-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@H+](C)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001267759413 1377468683 /nfs/dbraw/zinc/46/86/83/1377468683.db2.gz ZRFQRWCXVUBDDG-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741793 1377523274 /nfs/dbraw/zinc/52/32/74/1377523274.db2.gz YLYJVHPSLWWAER-DLBZAZTESA-N 2 0 331.504 3.059 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](CC[NH2+]Cc2ccccc2C)C1)[NH+](C)C ZINC001269790320 1377571710 /nfs/dbraw/zinc/57/17/10/1377571710.db2.gz FOWWZYZWGDEJIE-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001137743332 1377608514 /nfs/dbraw/zinc/60/85/14/1377608514.db2.gz JCMJWRNZEQOACE-FVELJTHGSA-N 2 0 349.563 3.266 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001271528269 1377635559 /nfs/dbraw/zinc/63/55/59/1377635559.db2.gz ADMOYRBUJCGQEG-PXNSSMCTSA-N 2 0 345.531 3.031 10 0 EGAERP CCC1([NH2+]CCCC2CCC2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001327474975 1388529651 /nfs/dbraw/zinc/52/96/51/1388529651.db2.gz RNWXCBSTGMXDCS-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001272782804 1378081170 /nfs/dbraw/zinc/08/11/70/1378081170.db2.gz PEQAXWSVNBAKNU-APWZRJJASA-N 2 0 349.563 3.029 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001272781578 1378081185 /nfs/dbraw/zinc/08/11/85/1378081185.db2.gz IANJTRPLQBVCKR-SFHVURJKSA-N 2 0 345.531 3.244 10 0 EGAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(SCC[NH+]2CCCC2)cc1 ZINC001327468525 1388528137 /nfs/dbraw/zinc/52/81/37/1388528137.db2.gz NHKBVYGLUYREAG-QZTJIDSGSA-N 2 0 347.528 3.331 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001327480131 1388531732 /nfs/dbraw/zinc/53/17/32/1388531732.db2.gz VAYVSXMSFUAYJT-OALUTQOASA-N 2 0 347.547 3.164 10 0 EGAERP C[C@H]([NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001276634337 1378182245 /nfs/dbraw/zinc/18/22/45/1378182245.db2.gz SMNQADDZIIAYFU-QFBILLFUSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279045732 1378296533 /nfs/dbraw/zinc/29/65/33/1378296533.db2.gz MKMUOTIOBPVFHS-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001282478799 1378510742 /nfs/dbraw/zinc/51/07/42/1378510742.db2.gz UKDUHMHJBLSRFU-PBHICJAKSA-N 2 0 347.528 3.178 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327541960 1388556733 /nfs/dbraw/zinc/55/67/33/1388556733.db2.gz SKBBLQMOGVLZBN-HXUWFJFHSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1c(C(=O)N[C@H](C)CCC[NH2+]CC2CC(C)C2)ccc2c[nH+]cn21 ZINC001283205572 1378760415 /nfs/dbraw/zinc/76/04/15/1378760415.db2.gz ZDCHCGKMFKQQQV-ISXOHVOVSA-N 2 0 342.487 3.177 10 0 EGAERP C[C@@H](F)CC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001283333779 1378816302 /nfs/dbraw/zinc/81/63/02/1378816302.db2.gz DJGMONORSKJZSN-MRXNPFEDSA-N 2 0 349.494 3.033 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001283508227 1378993277 /nfs/dbraw/zinc/99/32/77/1378993277.db2.gz FSMCRBKMWMNFQF-LJQANCHMSA-N 2 0 347.547 3.188 10 0 EGAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@H](C[NH2+]CC1CCCCCC1)C1CC1 ZINC001283552463 1379013344 /nfs/dbraw/zinc/01/33/44/1379013344.db2.gz HCPNCJIWACGOTC-AZUAARDMSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@H]3C)cc2C1 ZINC001327696440 1388586400 /nfs/dbraw/zinc/58/64/00/1388586400.db2.gz SPZFCYXIIDLHTR-IAGOWNOFSA-N 2 0 343.515 3.291 10 0 EGAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001147587470 1379046487 /nfs/dbraw/zinc/04/64/87/1379046487.db2.gz BYXWIQNFZFDDFW-WOJBJXKFSA-N 2 0 347.547 3.307 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001283623964 1379062064 /nfs/dbraw/zinc/06/20/64/1379062064.db2.gz XUGPRTLQKPWZJR-APWZRJJASA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001283668113 1379096917 /nfs/dbraw/zinc/09/69/17/1379096917.db2.gz YMCBOEWGXTWRPW-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCC(C)(C)CC1)CC2 ZINC001284066616 1379423343 /nfs/dbraw/zinc/42/33/43/1379423343.db2.gz HSUNDEBBTRNPBE-WIYYLYMNSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@H]12 ZINC001284067063 1379424906 /nfs/dbraw/zinc/42/49/06/1379424906.db2.gz JWJNTNNVCQDSNV-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C(C)C)CC3)C[C@H]21 ZINC001284097119 1379464184 /nfs/dbraw/zinc/46/41/84/1379464184.db2.gz PZEYNBLGATVEBU-VAMGGRTRSA-N 2 0 349.563 3.124 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001284188311 1379580656 /nfs/dbraw/zinc/58/06/56/1379580656.db2.gz HOQQHQSGJZCNEX-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001284192963 1379586191 /nfs/dbraw/zinc/58/61/91/1379586191.db2.gz SZWNRUWFRFMKSQ-DLBZAZTESA-N 2 0 340.471 3.097 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001284193950 1379587032 /nfs/dbraw/zinc/58/70/32/1379587032.db2.gz HSYIHHUZDFSREO-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccc(F)cc1 ZINC001284312284 1379702174 /nfs/dbraw/zinc/70/21/74/1379702174.db2.gz GMTMLZPUYKEFGB-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1(C)C ZINC001284349746 1379748621 /nfs/dbraw/zinc/74/86/21/1379748621.db2.gz ZZKLOJXSDJHLEN-UTKZUKDTSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001284598317 1379999476 /nfs/dbraw/zinc/99/94/76/1379999476.db2.gz NGFLZPOBQHMJBG-ROUUACIJSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)(C)C ZINC001284629971 1380033587 /nfs/dbraw/zinc/03/35/87/1380033587.db2.gz BVVAOVHORAHIMB-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001284701897 1380116888 /nfs/dbraw/zinc/11/68/88/1380116888.db2.gz GQAXPGUUZXCLGN-XLIONFOSSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](F)CC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001328035599 1388650553 /nfs/dbraw/zinc/65/05/53/1388650553.db2.gz RNUDLAUSSBVXKW-INIZCTEOSA-N 2 0 349.494 3.081 10 0 EGAERP C[C@@H]([NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001284815206 1380240657 /nfs/dbraw/zinc/24/06/57/1380240657.db2.gz HHDKKNMTLFYPSH-VNCLNFNDSA-N 2 0 349.494 3.198 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCC3(CC3)CC2)CC1)[NH+](C)C ZINC001284929004 1380318190 /nfs/dbraw/zinc/31/81/90/1380318190.db2.gz HWVBLQKOHVWQQG-LJQANCHMSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)C(C)(C)C1 ZINC001328083034 1388664886 /nfs/dbraw/zinc/66/48/86/1388664886.db2.gz RUSGNRXDWWNTKB-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001328266332 1388704008 /nfs/dbraw/zinc/70/40/08/1388704008.db2.gz IQRWWQKHSUNKJT-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cccc(F)c1 ZINC001328288341 1388717120 /nfs/dbraw/zinc/71/71/20/1388717120.db2.gz ZJUMFABUEHMENS-APWZRJJASA-N 2 0 349.494 3.027 10 0 EGAERP Cc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)o2)c(C[NH+](C)C)c1 ZINC001293539243 1382297556 /nfs/dbraw/zinc/29/75/56/1382297556.db2.gz AFKKBBBSFQXRRV-UHFFFAOYSA-N 2 0 341.455 3.498 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(C)c1 ZINC001698610923 1406240433 /nfs/dbraw/zinc/24/04/33/1406240433.db2.gz XZZOKRDYTFKGKH-HKUYNNGSSA-N 2 0 345.531 3.415 10 0 EGAERP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001164426095 1383185501 /nfs/dbraw/zinc/18/55/01/1383185501.db2.gz YXWVVJLJBWVEAD-OALUTQOASA-N 2 0 336.439 3.203 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001328752263 1388844303 /nfs/dbraw/zinc/84/43/03/1388844303.db2.gz HDBQXZIKVXQENG-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)C[N@H+](C)CCCNC(=O)c1cccc(C[NH+]2CCCCC2)c1 ZINC001300262657 1383656678 /nfs/dbraw/zinc/65/66/78/1383656678.db2.gz FMKFHJULXLLJLE-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001316629322 1384493703 /nfs/dbraw/zinc/49/37/03/1384493703.db2.gz HDQAAPDMICMGIZ-SQWGJZLYSA-N 2 0 347.547 3.234 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2F)[C@@H]1C)[NH+](CC)CC ZINC001316793221 1384585590 /nfs/dbraw/zinc/58/55/90/1384585590.db2.gz SYBWDQCUHBUJLH-AYOQOUSVSA-N 2 0 349.494 3.025 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)C1CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001316935677 1384707029 /nfs/dbraw/zinc/70/70/29/1384707029.db2.gz OANHXXDGMGBQGM-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001316999027 1384756460 /nfs/dbraw/zinc/75/64/60/1384756460.db2.gz SRIDBAIDXJTKGW-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014362 1384778600 /nfs/dbraw/zinc/77/86/00/1384778600.db2.gz ULRODCNWTWYPTN-MSOLQXFVSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014262 1384779017 /nfs/dbraw/zinc/77/90/17/1384779017.db2.gz SQCPHCIVGPETAJ-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001317041525 1384815452 /nfs/dbraw/zinc/81/54/52/1384815452.db2.gz CMSZJCABLRUVCH-JCMVTEASSA-N 2 0 337.552 3.099 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001317141116 1384908968 /nfs/dbraw/zinc/90/89/68/1384908968.db2.gz XGHLKDDWXCQAHQ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCC1)[NH+]1CCCCCC1 ZINC001317175777 1384947549 /nfs/dbraw/zinc/94/75/49/1384947549.db2.gz GNHKXOOISFFGDZ-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317190936 1384965200 /nfs/dbraw/zinc/96/52/00/1384965200.db2.gz SPVUNVHKTJRHJL-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317267171 1385037007 /nfs/dbraw/zinc/03/70/07/1385037007.db2.gz VYROIOLWFVQZGB-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001317288107 1385060877 /nfs/dbraw/zinc/06/08/77/1385060877.db2.gz FOUIHFCFNUHUCP-IAGOWNOFSA-N 2 0 331.504 3.061 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001317295501 1385067546 /nfs/dbraw/zinc/06/75/46/1385067546.db2.gz ZLFGQZRSUITGMR-PXNSSMCTSA-N 2 0 345.531 3.279 10 0 EGAERP O=C([C@@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317333915 1385087354 /nfs/dbraw/zinc/08/73/54/1385087354.db2.gz OSIYBEGLPSGHSP-QUCCMNQESA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317350191 1385099775 /nfs/dbraw/zinc/09/97/75/1385099775.db2.gz KCJUAMBXKHDUPT-QZTJIDSGSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001317416942 1385126702 /nfs/dbraw/zinc/12/67/02/1385126702.db2.gz ZKFFYRPYTGNSNF-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1Cc1ccccc1C)[NH+](C)C ZINC001317433424 1385137025 /nfs/dbraw/zinc/13/70/25/1385137025.db2.gz DSSFJZABZZEOPO-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCC2CCCCC2)C1 ZINC001317434679 1385138422 /nfs/dbraw/zinc/13/84/22/1385138422.db2.gz MWFWDUVKQNCAHK-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505326 1385211658 /nfs/dbraw/zinc/21/16/58/1385211658.db2.gz KSYSQYFACPXGMH-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512874 1385224745 /nfs/dbraw/zinc/22/47/45/1385224745.db2.gz QCLKFCKXZFZQEK-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512589 1385224850 /nfs/dbraw/zinc/22/48/50/1385224850.db2.gz NVLHIDFFUYSENH-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001317683150 1385393024 /nfs/dbraw/zinc/39/30/24/1385393024.db2.gz NRWKGDXGXRTGST-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317979485 1385597621 /nfs/dbraw/zinc/59/76/21/1385597621.db2.gz LUZOELIGZVOTKA-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP CCc1nccn1[C@@H](C)CC(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001318026286 1385611354 /nfs/dbraw/zinc/61/13/54/1385611354.db2.gz YHUWGFAABCGJDZ-INIZCTEOSA-N 2 0 346.519 3.167 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H]2CC[NH+](CCCC(C)C)C2)C1 ZINC001318425991 1385681876 /nfs/dbraw/zinc/68/18/76/1385681876.db2.gz RPDOAYKLJBFBIB-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCc2ccc(Cl)cc2)CC1 ZINC001176879684 1385729237 /nfs/dbraw/zinc/72/92/37/1385729237.db2.gz NEBHKORAILIBMY-UHFFFAOYSA-N 2 0 336.907 3.195 10 0 EGAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C[C@H](C)CC(C)C ZINC001318539256 1385742957 /nfs/dbraw/zinc/74/29/57/1385742957.db2.gz CFSBJOQVSLXJNX-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CCC(C)(C)C ZINC001318589915 1385773964 /nfs/dbraw/zinc/77/39/64/1385773964.db2.gz BVDGEYORYDRKGE-KRWDZBQOSA-N 2 0 325.541 3.027 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001318670191 1385828314 /nfs/dbraw/zinc/82/83/14/1385828314.db2.gz IPBYUMLMCZBWNJ-UHFFFAOYSA-N 2 0 349.544 3.143 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001319030480 1385936546 /nfs/dbraw/zinc/93/65/46/1385936546.db2.gz WRUAVDJEYQXBRW-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(CCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001319040083 1385942252 /nfs/dbraw/zinc/94/22/52/1385942252.db2.gz VKKACQZZFCYICG-SNAWJCMRSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001319385043 1386095031 /nfs/dbraw/zinc/09/50/31/1386095031.db2.gz YXWSCVKTEXBMDN-HMXCVIKNSA-N 3 0 329.532 3.219 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001319541816 1386171039 /nfs/dbraw/zinc/17/10/39/1386171039.db2.gz WWEMOQBTJUWYJM-UYAOXDASSA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]C(C)C)C1CCCCC1 ZINC001319658115 1386237592 /nfs/dbraw/zinc/23/75/92/1386237592.db2.gz WFEFYMWOXYXIJW-RBUKOAKNSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001319809419 1386307629 /nfs/dbraw/zinc/30/76/29/1386307629.db2.gz NHJMWNGPXDPFOX-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001319868578 1386346149 /nfs/dbraw/zinc/34/61/49/1386346149.db2.gz LPIRQEFQGOKHCN-AZUAARDMSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001319868263 1386346649 /nfs/dbraw/zinc/34/66/49/1386346649.db2.gz KCMBVOVQGNBVKF-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1C)C(C)C ZINC001319919112 1386391002 /nfs/dbraw/zinc/39/10/02/1386391002.db2.gz SGNMKBMHQSNKRY-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1CCCC1 ZINC001319954150 1386414146 /nfs/dbraw/zinc/41/41/46/1386414146.db2.gz HPQYYNJUVVWMEZ-IBGZPJMESA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001320041293 1386468929 /nfs/dbraw/zinc/46/89/29/1386468929.db2.gz CDMOVGMWRWEJLQ-KRWDZBQOSA-N 2 0 339.911 3.133 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@@](C)(C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001698650105 1406299975 /nfs/dbraw/zinc/29/99/75/1406299975.db2.gz VNVNYFXJRCXHHA-CTNGQTDRSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@@H]21 ZINC001320109443 1386518206 /nfs/dbraw/zinc/51/82/06/1386518206.db2.gz BUNICSHNVIGLGJ-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001320643967 1386677677 /nfs/dbraw/zinc/67/76/77/1386677677.db2.gz IFTCNUNNBFKQEI-QUCCMNQESA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H](C(=O)N(CC)CC[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001320901912 1386752929 /nfs/dbraw/zinc/75/29/29/1386752929.db2.gz QXRYQTMLYYXRGD-IBGZPJMESA-N 2 0 347.547 3.262 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CC1=CCCCC1)NC(=O)CC[NH+](C)C ZINC001698666368 1406317257 /nfs/dbraw/zinc/31/72/57/1406317257.db2.gz ZKNCYWRMDMIYLI-FXAWDEMLSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@@H]([NH2+]C/C=C\CNC(=O)[C@H]1CCC[N@@H+]1C)c1ccc(Cl)cc1 ZINC001321188268 1386835238 /nfs/dbraw/zinc/83/52/38/1386835238.db2.gz GXQORXOBGBYYBK-IFOCYFHOSA-N 2 0 349.906 3.147 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)CC(C)(C)C)c1ccccc1F ZINC001321250416 1386856877 /nfs/dbraw/zinc/85/68/77/1386856877.db2.gz NNQVAJGOUSPKPQ-HLRDLLSLSA-N 2 0 349.494 3.127 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001321609819 1386940480 /nfs/dbraw/zinc/94/04/80/1386940480.db2.gz PWQQRRSXQWHBAY-CRAIPNDOSA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[NH2+]CC1=CCCCC1)[NH+]1CCCCC1 ZINC001321756781 1386977018 /nfs/dbraw/zinc/97/70/18/1386977018.db2.gz QHCXDOCLJQGAJL-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001322158816 1387080875 /nfs/dbraw/zinc/08/08/75/1387080875.db2.gz DDPAEEYNUJHAJX-YTQUADARSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001698709663 1406351149 /nfs/dbraw/zinc/35/11/49/1406351149.db2.gz LFDGJGIVMRZKIM-IOEMXKATSA-N 2 0 335.536 3.234 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001698712926 1406355411 /nfs/dbraw/zinc/35/54/11/1406355411.db2.gz GWJPKKOHMRPWPZ-MXVIHJGJSA-N 2 0 345.531 3.221 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC1=CCCCC1 ZINC001329749358 1389217171 /nfs/dbraw/zinc/21/71/71/1389217171.db2.gz GTGIRNCVUUGYCC-HXUWFJFHSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)cc1 ZINC001698718990 1406363667 /nfs/dbraw/zinc/36/36/67/1406363667.db2.gz ZFVNJGVCHPDNIX-VQTJNVASSA-N 2 0 343.515 3.065 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC2(C[NH2+]CC=C(C)C)CCCCC2)C1 ZINC001329846850 1389235657 /nfs/dbraw/zinc/23/56/57/1389235657.db2.gz WPRMDHSADHJRDL-LJQANCHMSA-N 2 0 349.563 3.483 10 0 EGAERP CCCC[C@H](C[NH2+]C/C=C\Cl)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001329888323 1389246952 /nfs/dbraw/zinc/24/69/52/1389246952.db2.gz VRNFFMWBEADQMC-HMZQOCAUSA-N 2 0 348.878 3.273 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC001329950282 1389270535 /nfs/dbraw/zinc/27/05/35/1389270535.db2.gz ACKZDPSMXCJMNS-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001329998687 1389282482 /nfs/dbraw/zinc/28/24/82/1389282482.db2.gz UWLVNBVROFIDCV-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)C1C[NH+](CCC2CCCCC2)C1 ZINC001330085311 1389304360 /nfs/dbraw/zinc/30/43/60/1389304360.db2.gz LKWDHTPOQFEVLS-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)c1nc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cs1 ZINC001330300578 1389382204 /nfs/dbraw/zinc/38/22/04/1389382204.db2.gz HUSGNNKSJZEWFS-UHFFFAOYSA-N 2 0 337.533 3.247 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001331645373 1389844524 /nfs/dbraw/zinc/84/45/24/1389844524.db2.gz ACCRDDONIQURSR-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001331920638 1389911474 /nfs/dbraw/zinc/91/14/74/1389911474.db2.gz ZSBULAULDLQIBI-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332011209 1389945024 /nfs/dbraw/zinc/94/50/24/1389945024.db2.gz ZIZCGTCKHSVIDE-GOEBONIOSA-N 2 0 328.460 3.026 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001332089603 1389977129 /nfs/dbraw/zinc/97/71/29/1389977129.db2.gz KGKQQCUFOJPRER-QWFCFKBJSA-N 2 0 335.536 3.163 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]23CCC[C@H]2[NH+](CCCC(C)(C)C)CC3)C1 ZINC001332110673 1389989464 /nfs/dbraw/zinc/98/94/64/1389989464.db2.gz KBIRDUHBNIZFQZ-DBXWQHBBSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001332386368 1390102431 /nfs/dbraw/zinc/10/24/31/1390102431.db2.gz DVYBASISZOGUQE-RTBURBONSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001332386366 1390102767 /nfs/dbraw/zinc/10/27/67/1390102767.db2.gz DVYBASISZOGUQE-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412081 1390109076 /nfs/dbraw/zinc/10/90/76/1390109076.db2.gz ASVCTEXNTRUPLQ-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C(C)C ZINC001332708137 1390161987 /nfs/dbraw/zinc/16/19/87/1390161987.db2.gz UZZHTDUKZMFWLH-GOSISDBHSA-N 2 0 325.541 3.074 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332823517 1390194732 /nfs/dbraw/zinc/19/47/32/1390194732.db2.gz IKXVVXTUHTUZFT-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001332985731 1390230528 /nfs/dbraw/zinc/23/05/28/1390230528.db2.gz TZNXVDURLDMZRZ-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001332991945 1390231874 /nfs/dbraw/zinc/23/18/74/1390231874.db2.gz LWJZYGCLZOOTCC-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001332991944 1390231882 /nfs/dbraw/zinc/23/18/82/1390231882.db2.gz LWJZYGCLZOOTCC-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001332997789 1390233537 /nfs/dbraw/zinc/23/35/37/1390233537.db2.gz LEMMDVDTJFGPCB-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001333071187 1390244837 /nfs/dbraw/zinc/24/48/37/1390244837.db2.gz RDYVKBPZZNXALX-ZJRDLVKKSA-N 2 0 347.547 3.186 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccccc1F)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698834622 1406529555 /nfs/dbraw/zinc/52/95/55/1406529555.db2.gz FHZKKGQCRVOFJR-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP Brc1cnc2c(c1)[C@@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC001354206216 1392127415 /nfs/dbraw/zinc/12/74/15/1392127415.db2.gz WOUKFSABIVHNNQ-HNNXBMFYSA-N 2 0 338.293 3.297 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2cc(C)cc(C)c2)C1)[NH+](C)C ZINC001479461769 1392248485 /nfs/dbraw/zinc/24/84/85/1392248485.db2.gz XJPSTTPYMSLONN-DFQSSKMNSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479526059 1392269487 /nfs/dbraw/zinc/26/94/87/1392269487.db2.gz FJFRZTDQDVPBGT-WWAPKCSDSA-N 2 0 347.547 3.045 10 0 EGAERP CCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479527110 1392270102 /nfs/dbraw/zinc/27/01/02/1392270102.db2.gz ZDIHXMZYUKKEJZ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CC1CCC1)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001479739641 1392352299 /nfs/dbraw/zinc/35/22/99/1392352299.db2.gz GKVYOTUDZRXYIE-FQEVSTJZSA-N 2 0 349.563 3.366 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001479747988 1392365703 /nfs/dbraw/zinc/36/57/03/1392365703.db2.gz KNCBYGGFQFUMSV-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C)c(C[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001479772411 1392379092 /nfs/dbraw/zinc/37/90/92/1392379092.db2.gz OMPJRLTUWQOCAR-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001479777076 1392382531 /nfs/dbraw/zinc/38/25/31/1392382531.db2.gz ZWEYXAJEWILTRL-RBUKOAKNSA-N 2 0 345.531 3.369 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1ccccc1F ZINC001479845332 1392428103 /nfs/dbraw/zinc/42/81/03/1392428103.db2.gz RESUKWOLASBKBN-MRXNPFEDSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001479874744 1392450531 /nfs/dbraw/zinc/45/05/31/1392450531.db2.gz BKDYEDNBJZGDRI-HXUWFJFHSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001479985666 1392518232 /nfs/dbraw/zinc/51/82/32/1392518232.db2.gz TXBZLPFJTVLEOP-WYNBNGFRSA-N 2 0 347.547 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001479986122 1392518283 /nfs/dbraw/zinc/51/82/83/1392518283.db2.gz DZKNUSBBUWESDD-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC(C)C)CC1 ZINC001479996640 1392528716 /nfs/dbraw/zinc/52/87/16/1392528716.db2.gz PJLKRBUDNSUQOO-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C2CC2)C1 ZINC001480039955 1392545884 /nfs/dbraw/zinc/54/58/84/1392545884.db2.gz CHEAULLDTOLTLJ-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001480084903 1392574832 /nfs/dbraw/zinc/57/48/32/1392574832.db2.gz PASPMMGYSHDBRD-SFHVURJKSA-N 2 0 339.568 3.181 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480211007 1392623792 /nfs/dbraw/zinc/62/37/92/1392623792.db2.gz JFKUPFQIIHPLFR-BORUEMGLSA-N 2 0 335.536 3.233 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCC2)C1)C1CCCCC1 ZINC001480215236 1392624879 /nfs/dbraw/zinc/62/48/79/1392624879.db2.gz GJQZIOBYMASAMY-KDURUIRLSA-N 2 0 349.563 3.458 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH2+]CC(CC)CC)C1 ZINC001480285970 1392659632 /nfs/dbraw/zinc/65/96/32/1392659632.db2.gz NLKKATSNQPNUSF-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480322937 1392683708 /nfs/dbraw/zinc/68/37/08/1392683708.db2.gz HPVXKTILHKIWPI-DCWZWWHRSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001480374783 1392717482 /nfs/dbraw/zinc/71/74/82/1392717482.db2.gz WXTDZWLJTDIWIE-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+]1CCC(C(=O)NC2CCC([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001480407917 1392744884 /nfs/dbraw/zinc/74/48/84/1392744884.db2.gz IUPGBDBQYZGIEY-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001480475857 1392763857 /nfs/dbraw/zinc/76/38/57/1392763857.db2.gz VFMSQHCUSYLGCD-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001480621888 1392824904 /nfs/dbraw/zinc/82/49/04/1392824904.db2.gz BWDUIHZZSFTYST-VQTJNVASSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001698873265 1406594402 /nfs/dbraw/zinc/59/44/02/1406594402.db2.gz BTBSJEHXPHSJIW-SFHVURJKSA-N 2 0 339.568 3.275 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480697899 1392861567 /nfs/dbraw/zinc/86/15/67/1392861567.db2.gz JAGAYOFJQXVOJZ-VGRIIWOTSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H](F)CC[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480736654 1392901501 /nfs/dbraw/zinc/90/15/01/1392901501.db2.gz HOXAYYQZENSGBO-APWZRJJASA-N 2 0 349.494 3.033 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480739581 1392905878 /nfs/dbraw/zinc/90/58/78/1392905878.db2.gz PUJYVDAPYMQHLR-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccc(C2CCC2)cc1 ZINC001480753343 1392914425 /nfs/dbraw/zinc/91/44/25/1392914425.db2.gz FGIATBPRGJJPOK-JXFKEZNVSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@@H](c1ccc(Cl)c(Cl)c1)[N@H+](C)CCNC(=O)CC[NH+](C)C ZINC001480908609 1393013385 /nfs/dbraw/zinc/01/33/85/1393013385.db2.gz YMLOSVSQOKPWIJ-LBPRGKRZSA-N 2 0 346.302 3.054 10 0 EGAERP CC[N@H+](CCNC(=O)C1CC[NH+](C(C)C)CC1)CCC1=CCCCC1 ZINC001481010154 1393086825 /nfs/dbraw/zinc/08/68/25/1393086825.db2.gz UUOGTIOKDMPVFY-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098518 1393119479 /nfs/dbraw/zinc/11/94/79/1393119479.db2.gz BHAYAZULZBHVPD-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCCCCC1 ZINC001481252353 1393153733 /nfs/dbraw/zinc/15/37/33/1393153733.db2.gz RMPLCBCQYNASRB-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC001481336019 1393166470 /nfs/dbraw/zinc/16/64/70/1393166470.db2.gz HVJOBWJMRUJBER-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](CCCNC(=O)C[NH+]1CCCC1)C(C)C ZINC001481358236 1393180179 /nfs/dbraw/zinc/18/01/79/1393180179.db2.gz NUISJYBRHMPUDZ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001698900605 1406633386 /nfs/dbraw/zinc/63/33/86/1406633386.db2.gz JEWGMONYCHAMIC-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001698921123 1406656607 /nfs/dbraw/zinc/65/66/07/1406656607.db2.gz QLTIEMZXOLNWBJ-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)c1ccccc1 ZINC001481365646 1394204653 /nfs/dbraw/zinc/20/46/53/1394204653.db2.gz RAGCAYQTPLEBIE-VQTJNVASSA-N 2 0 345.531 3.210 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001490420235 1394221087 /nfs/dbraw/zinc/22/10/87/1394221087.db2.gz SBAOTGNNKLUUBW-UVEXCMSLSA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+](CC)CC ZINC001481383420 1394222180 /nfs/dbraw/zinc/22/21/80/1394222180.db2.gz DOYVFDCSQCCRGQ-FGTMMUONSA-N 2 0 337.552 3.218 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001481403793 1394255445 /nfs/dbraw/zinc/25/54/45/1394255445.db2.gz GRIGYQYDDKFMDP-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1)CC(C)(C)C ZINC001490560985 1394260126 /nfs/dbraw/zinc/26/01/26/1394260126.db2.gz IURPMCRLGMQZRB-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001490608973 1394280827 /nfs/dbraw/zinc/28/08/27/1394280827.db2.gz IGYUWMUEXYAKOV-LLHWWHOWSA-N 2 0 347.547 3.189 10 0 EGAERP CC1CC(C[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C2CC2)C1 ZINC001490683831 1394294032 /nfs/dbraw/zinc/29/40/32/1394294032.db2.gz TYOLJTOWGJNUQM-RJYAGPCLSA-N 2 0 349.563 3.170 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001490718925 1394305658 /nfs/dbraw/zinc/30/56/58/1394305658.db2.gz ZQSWOSHSGXJTNH-FQEVSTJZSA-N 2 0 347.547 3.093 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@H](C[N@H+](C)CCC(C)(C)C)C2)CCC1 ZINC001490766149 1394327794 /nfs/dbraw/zinc/32/77/94/1394327794.db2.gz KTLJPUVTKIBQFT-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001481498574 1394344136 /nfs/dbraw/zinc/34/41/36/1394344136.db2.gz QKKKGOCFHWGMCT-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001481509345 1394357322 /nfs/dbraw/zinc/35/73/22/1394357322.db2.gz OQOGJDVRZNLEFU-IBGZPJMESA-N 2 0 345.531 3.188 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481518448 1394368796 /nfs/dbraw/zinc/36/87/96/1394368796.db2.gz VASNLHGHNUAIOH-SFHVURJKSA-N 2 0 345.531 3.178 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120241 1394438587 /nfs/dbraw/zinc/43/85/87/1394438587.db2.gz MVKSZXBHOGCIAK-VQIMIIECSA-N 2 0 349.494 3.057 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481709911 1394468698 /nfs/dbraw/zinc/46/86/98/1394468698.db2.gz XMZZIQCQZPBNLP-KAGICYHLSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001481709827 1394469066 /nfs/dbraw/zinc/46/90/66/1394469066.db2.gz SMYWHWPAHMXCSB-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001491206583 1394471224 /nfs/dbraw/zinc/47/12/24/1394471224.db2.gz OYJQMBJCTDYPQA-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CCCC[NH+]2CCC2CCCCC2)C1 ZINC001491222568 1394480446 /nfs/dbraw/zinc/48/04/46/1394480446.db2.gz RLZMDEUMIQPZNP-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC/C=C/c1ccccc1 ZINC001491260920 1394495642 /nfs/dbraw/zinc/49/56/42/1394495642.db2.gz CMASSAXPAHDZMS-YLZBSDIZSA-N 2 0 343.515 3.012 10 0 EGAERP CCN(C(=O)CCC[NH+](C)C)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481773166 1394517344 /nfs/dbraw/zinc/51/73/44/1394517344.db2.gz PXGPXFAYIJELDA-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(CC)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001481779049 1394523177 /nfs/dbraw/zinc/52/31/77/1394523177.db2.gz QJCYVQMVSJSEOF-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1 ZINC001491818184 1394536010 /nfs/dbraw/zinc/53/60/10/1394536010.db2.gz ZIXUXWMRYQDQIY-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481882483 1394576008 /nfs/dbraw/zinc/57/60/08/1394576008.db2.gz RRFYWBHCNSDFCY-KRWDZBQOSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)CCC[NH2+]C[C@]1(NC(=O)C[NH+]2CCCC2)CCCC[C@H]1C ZINC001481963681 1394625371 /nfs/dbraw/zinc/62/53/71/1394625371.db2.gz LXJPIJUOQQDGSR-UYAOXDASSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481964094 1394625911 /nfs/dbraw/zinc/62/59/11/1394625911.db2.gz OGISXPBJOXRSTG-RXVVDRJESA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)C[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001481999646 1394659098 /nfs/dbraw/zinc/65/90/98/1394659098.db2.gz WPUWSJPIJTXKCP-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337195 1394905183 /nfs/dbraw/zinc/90/51/83/1394905183.db2.gz OCPKJGNCDZCCDO-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001698968578 1406729293 /nfs/dbraw/zinc/72/92/93/1406729293.db2.gz NRSFKONYZIZKEP-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001482456751 1395015052 /nfs/dbraw/zinc/01/50/52/1395015052.db2.gz PSUMADMVLKYHPQ-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001482456744 1395015219 /nfs/dbraw/zinc/01/52/19/1395015219.db2.gz PSUMADMVLKYHPQ-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001482564916 1395090996 /nfs/dbraw/zinc/09/09/96/1395090996.db2.gz HXTOUPVJMFYEPV-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001483952441 1395159074 /nfs/dbraw/zinc/15/90/74/1395159074.db2.gz IRHBLTSAXRCFSV-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001483970813 1395169468 /nfs/dbraw/zinc/16/94/68/1395169468.db2.gz KVBHKHIUCMLNSM-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2c(C)cc(C)cc2C)C1)[NH+](C)C ZINC001484048053 1395213108 /nfs/dbraw/zinc/21/31/08/1395213108.db2.gz AVVFUJIHKVCVDO-CTNGQTDRSA-N 2 0 345.531 3.033 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2(C)CC[NH+](CCCC3CCC3)CC2)C1 ZINC001484144859 1395280120 /nfs/dbraw/zinc/28/01/20/1395280120.db2.gz LUQBGEUHKKYTEM-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001484170187 1395309731 /nfs/dbraw/zinc/30/97/31/1395309731.db2.gz LINNHLWRRHWEAR-GHTZIAJQSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484172745 1395314312 /nfs/dbraw/zinc/31/43/12/1395314312.db2.gz ANBZLAYAFYOYLT-OAQYLSRUSA-N 2 0 349.563 3.437 10 0 EGAERP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)C2 ZINC001484390450 1395358891 /nfs/dbraw/zinc/35/88/91/1395358891.db2.gz DHUKJXVFQQUOGG-HAGHYFMRSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001484391307 1395361273 /nfs/dbraw/zinc/36/12/73/1395361273.db2.gz OOHLLSRGVGILBL-XEYPJELSSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698982323 1406760017 /nfs/dbraw/zinc/76/00/17/1406760017.db2.gz ZAMZRNOBVIVXSJ-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+]1CCCCC1 ZINC001484557868 1395439369 /nfs/dbraw/zinc/43/93/69/1395439369.db2.gz YHBAOMGKWCRREA-UHFFFAOYSA-N 2 0 331.504 3.021 10 0 EGAERP CN(CCC[N@H+](C)CC1CCC1)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001484748905 1395502834 /nfs/dbraw/zinc/50/28/34/1395502834.db2.gz RBEKODXAHVQLHJ-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001484768838 1395525349 /nfs/dbraw/zinc/52/53/49/1395525349.db2.gz IDIWZMVWEMKXQS-INIZCTEOSA-N 2 0 337.483 3.007 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001485239456 1395733183 /nfs/dbraw/zinc/73/31/83/1395733183.db2.gz OZKKXVDENVEQRC-JVSUKQCGSA-N 2 0 335.536 3.186 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471175 1395946018 /nfs/dbraw/zinc/94/60/18/1395946018.db2.gz DHRGIZIENFCEJX-VQTJNVASSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001485759356 1396135128 /nfs/dbraw/zinc/13/51/28/1396135128.db2.gz RITKOPSSFVYUIE-VQTJNVASSA-N 2 0 349.563 3.362 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001485780071 1396150038 /nfs/dbraw/zinc/15/00/38/1396150038.db2.gz RFNZIDMCAGJVSO-UXHICEINSA-N 2 0 345.531 3.497 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C/Cl ZINC001485789874 1396154593 /nfs/dbraw/zinc/15/45/93/1396154593.db2.gz BHJJNKQPXGDFJR-WVDJOFFCSA-N 2 0 343.943 3.124 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001485894896 1396161844 /nfs/dbraw/zinc/16/18/44/1396161844.db2.gz WMJABXBRQRUFSF-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001486236047 1396186115 /nfs/dbraw/zinc/18/61/15/1396186115.db2.gz LNDZJNUJTWGHLS-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001486236533 1396186539 /nfs/dbraw/zinc/18/65/39/1396186539.db2.gz UGLGUIVBTKCIFP-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247119 1396188915 /nfs/dbraw/zinc/18/89/15/1396188915.db2.gz YMKLSOZWFHNOKS-IEBWSBKVSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001486249613 1396189390 /nfs/dbraw/zinc/18/93/90/1396189390.db2.gz PEIBPYRJICPZQO-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001486249709 1396189407 /nfs/dbraw/zinc/18/94/07/1396189407.db2.gz JZXHTRDDACXAQH-PKOBYXMFSA-N 2 0 345.531 3.223 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001501625156 1396194746 /nfs/dbraw/zinc/19/47/46/1396194746.db2.gz DQAYOGGXTXAEAW-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001503429343 1396253771 /nfs/dbraw/zinc/25/37/71/1396253771.db2.gz MDQPADFXPBAXKY-NSHGMRRFSA-N 2 0 345.531 3.333 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491965608 1396301341 /nfs/dbraw/zinc/30/13/41/1396301341.db2.gz PUZAXZXPRZXMBK-IBGZPJMESA-N 2 0 337.552 3.366 10 0 EGAERP C[NH+](C)CC1(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)CCCCC1 ZINC001492164300 1396310724 /nfs/dbraw/zinc/31/07/24/1396310724.db2.gz VLKTZDUZANDEAS-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001492972832 1396330561 /nfs/dbraw/zinc/33/05/61/1396330561.db2.gz SZUTXKPKTMOAIP-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001493140986 1396338078 /nfs/dbraw/zinc/33/80/78/1396338078.db2.gz VENCISWOUJBJSB-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CCC2CCCCC2)C1 ZINC001494412013 1396444289 /nfs/dbraw/zinc/44/42/89/1396444289.db2.gz KPZDAWLGPASBSF-UHFFFAOYSA-N 2 0 349.563 3.410 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@](C)(C[NH2+]CC2=CCCCC2)C2CC2)CC1 ZINC001495293115 1396529309 /nfs/dbraw/zinc/52/93/09/1396529309.db2.gz RSHDAIOJKLRXCQ-NRFANRHFSA-N 2 0 347.547 3.093 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCC2)C1 ZINC001495953488 1396577048 /nfs/dbraw/zinc/57/70/48/1396577048.db2.gz CUCHLHSXTSZZOQ-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082764 1396598367 /nfs/dbraw/zinc/59/83/67/1396598367.db2.gz UCNMRZWWAMPWTO-RORWEDLISA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001496170041 1396618843 /nfs/dbraw/zinc/61/88/43/1396618843.db2.gz OOWWOBQLHVNTLW-MSOLQXFVSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001496277994 1396628833 /nfs/dbraw/zinc/62/88/33/1396628833.db2.gz FSKZPKHJOCOGKT-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCC2)CC[N@@H+]1C ZINC001496397014 1396687250 /nfs/dbraw/zinc/68/72/50/1396687250.db2.gz VJWIQGFGEHSFQK-SLFFLAALSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCC1)C1CCC1 ZINC001496401981 1396689450 /nfs/dbraw/zinc/68/94/50/1396689450.db2.gz XDVHAMYEPJSUNA-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001689051809 1396847009 /nfs/dbraw/zinc/84/70/09/1396847009.db2.gz FGSPDRKUIGDMAL-XLIONFOSSA-N 2 0 345.531 3.031 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001689089126 1396892414 /nfs/dbraw/zinc/89/24/14/1396892414.db2.gz JRQVQYIDIUXZEM-FYHBMDRXSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H](C)NC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC001498133825 1396924497 /nfs/dbraw/zinc/92/44/97/1396924497.db2.gz WISXUVOMSHSUIO-HOTGVXAUSA-N 2 0 342.487 3.006 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)[C@@H]1CCC[NH2+]CC1CC1 ZINC001689126298 1396931435 /nfs/dbraw/zinc/93/14/35/1396931435.db2.gz HHKBYBSNLDLBLG-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CC[N@@H+]1CC/C=C/c1ccccc1 ZINC001689186322 1396963900 /nfs/dbraw/zinc/96/39/00/1396963900.db2.gz GMQOXWKRZHGZKN-IJQANDGASA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001689190658 1396965748 /nfs/dbraw/zinc/96/57/48/1396965748.db2.gz IBYGAJPJFVOCHS-OXUXSNCKSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CCCCC1 ZINC001689192339 1396966913 /nfs/dbraw/zinc/96/69/13/1396966913.db2.gz AZQSCQBBPKZDMV-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001689267072 1396998530 /nfs/dbraw/zinc/99/85/30/1396998530.db2.gz DENPQKFKDDQVGZ-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCCC1)CCC1CCCC1 ZINC001689802496 1404143301 /nfs/dbraw/zinc/14/33/01/1404143301.db2.gz WOXPEUBIVHFHQV-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001689807674 1404148353 /nfs/dbraw/zinc/14/83/53/1404148353.db2.gz DRMXECQAOBZGQH-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCC(C)(C)C ZINC001689859650 1404174036 /nfs/dbraw/zinc/17/40/36/1404174036.db2.gz WGCKRDNXYGCWOO-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)CC2CCCCC2)c1 ZINC001689891066 1404187625 /nfs/dbraw/zinc/18/76/25/1404187625.db2.gz ONFZVKWILGPYTE-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1CC)CC1CCCCC1 ZINC001689970582 1404235145 /nfs/dbraw/zinc/23/51/45/1404235145.db2.gz UTILXMKZDPIVGK-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001690130809 1404325266 /nfs/dbraw/zinc/32/52/66/1404325266.db2.gz JWJPRKQLTCTHIG-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001690216730 1404425490 /nfs/dbraw/zinc/42/54/90/1404425490.db2.gz XEALQZQYQXXZJI-HJEPTRKESA-N 2 0 347.547 3.281 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001690288982 1404449804 /nfs/dbraw/zinc/44/98/04/1404449804.db2.gz PTUZWRSRFPJSQC-ATZDWAIDSA-N 2 0 331.504 3.060 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001690384955 1404516510 /nfs/dbraw/zinc/51/65/10/1404516510.db2.gz FHZOVMLVNKMXKC-KPDZFXRVSA-N 2 0 349.563 3.291 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001690427891 1404554187 /nfs/dbraw/zinc/55/41/87/1404554187.db2.gz XTXYBPQGTVCWGV-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH2+]CC(CC)CC)CC1 ZINC001690534286 1404624624 /nfs/dbraw/zinc/62/46/24/1404624624.db2.gz POIATDITDFXRIO-ACBHZAAOSA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001690741692 1404704351 /nfs/dbraw/zinc/70/43/51/1404704351.db2.gz WMFCITPBJJXUHO-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001690748500 1404707817 /nfs/dbraw/zinc/70/78/17/1404707817.db2.gz XWOKYECTFROZGS-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001690784841 1404732518 /nfs/dbraw/zinc/73/25/18/1404732518.db2.gz NIOZTEOOOQCTCO-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001690857539 1404780092 /nfs/dbraw/zinc/78/00/92/1404780092.db2.gz KJPPBVTUHAZNMH-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC1)[NH+]1CCCCC1 ZINC001690919562 1404829405 /nfs/dbraw/zinc/82/94/05/1404829405.db2.gz SKNPJNGEMZXXSJ-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691090021 1405025002 /nfs/dbraw/zinc/02/50/02/1405025002.db2.gz ZQLHIGLHCBEMDJ-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691090023 1405025177 /nfs/dbraw/zinc/02/51/77/1405025177.db2.gz ZQLHIGLHCBEMDJ-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691163047 1405098152 /nfs/dbraw/zinc/09/81/52/1405098152.db2.gz NEJYLQIXTVTQTO-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001691254887 1405182808 /nfs/dbraw/zinc/18/28/08/1405182808.db2.gz GXPDUNJTBBUAPH-CEXWTWQISA-N 2 0 335.536 3.092 10 0 EGAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001691364037 1405214432 /nfs/dbraw/zinc/21/44/32/1405214432.db2.gz UHDUHXLJVAHLNN-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]1CN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691392427 1405230106 /nfs/dbraw/zinc/23/01/06/1405230106.db2.gz QIEHUMOWBZAYPZ-GHOSXJJBSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H]([NH2+]CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccc(F)cc1 ZINC001691424047 1405258967 /nfs/dbraw/zinc/25/89/67/1405258967.db2.gz YKNBIEPZNFQFJJ-SFHVURJKSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001691604599 1405352980 /nfs/dbraw/zinc/35/29/80/1405352980.db2.gz ROVNNSUIIKONEF-IPMKNSEASA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](C)C ZINC001691630556 1405367665 /nfs/dbraw/zinc/36/76/65/1405367665.db2.gz VKBBBNYADOURSH-OTWHNJEPSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001691636926 1405372454 /nfs/dbraw/zinc/37/24/54/1405372454.db2.gz PHSLRDQDADGFAD-QUCCMNQESA-N 2 0 345.531 3.449 10 0 EGAERP CC[C@H]([NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001691678648 1405413418 /nfs/dbraw/zinc/41/34/18/1405413418.db2.gz OLNBUUSIIKBZOR-PXNSSMCTSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H]([NH2+][C@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001691678650 1405413701 /nfs/dbraw/zinc/41/37/01/1405413701.db2.gz OLNBUUSIIKBZOR-YLJYHZDGSA-N 2 0 345.531 3.306 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001691689676 1405423784 /nfs/dbraw/zinc/42/37/84/1405423784.db2.gz JNIJIAFZVDIKMD-CQQBRXBZSA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001691697183 1405429865 /nfs/dbraw/zinc/42/98/65/1405429865.db2.gz UGNXSPAMRCXLOE-QRTFGMIHSA-N 2 0 335.536 3.042 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001691733397 1405456109 /nfs/dbraw/zinc/45/61/09/1405456109.db2.gz PNRLNUFAVYRXCH-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)Cc1ccccc1 ZINC001691739652 1405462062 /nfs/dbraw/zinc/46/20/62/1405462062.db2.gz OXANWPBXKOTKAN-UHFFFAOYSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001691745762 1405466196 /nfs/dbraw/zinc/46/61/96/1405466196.db2.gz PXRUFILOKNDLIW-HCXYKTFWSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H](C)[NH+]1CCCCCC1)CC1CCC1 ZINC001691754266 1405472989 /nfs/dbraw/zinc/47/29/89/1405472989.db2.gz ODHUKIBATADKPA-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001691819829 1405536244 /nfs/dbraw/zinc/53/62/44/1405536244.db2.gz YNCYFSOXCPAIMT-QZTJIDSGSA-N 2 0 339.568 3.226 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](C/C=C\Cl)CC(C)(C)C1 ZINC001691823373 1405539330 /nfs/dbraw/zinc/53/93/30/1405539330.db2.gz NKXFYSCOOANRPB-BSDKJSHOSA-N 2 0 343.943 3.078 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001691867201 1405587244 /nfs/dbraw/zinc/58/72/44/1405587244.db2.gz OQWZZMIDYIUWJL-WOJBJXKFSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3CCCC3)C2)CC1 ZINC001691926864 1405658673 /nfs/dbraw/zinc/65/86/73/1405658673.db2.gz XQCZDLUHAVIRPB-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001692022618 1405741039 /nfs/dbraw/zinc/74/10/39/1405741039.db2.gz CKRSKQVGNUNLRK-WAYWQWQTSA-N 2 0 349.563 3.245 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(C[NH+](C)CC2CC3(CCC3)C2)CC1 ZINC001692026556 1405744733 /nfs/dbraw/zinc/74/47/33/1405744733.db2.gz QFDSWTLBZXKBGI-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)C12CCC[NH+](CCC1)C2 ZINC001731749116 1427842456 /nfs/dbraw/zinc/84/24/56/1427842456.db2.gz ICWYCLNIWJKNCV-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001692121505 1405783346 /nfs/dbraw/zinc/78/33/46/1405783346.db2.gz UEXWKKKPYVNYOX-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CC1CC2(CCC2)C1 ZINC001731804838 1427973913 /nfs/dbraw/zinc/97/39/13/1427973913.db2.gz CKMJIFPNGNMMGR-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001692227036 1405857852 /nfs/dbraw/zinc/85/78/52/1405857852.db2.gz PXNLRLWHGNFMJT-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001692333223 1405953130 /nfs/dbraw/zinc/95/31/30/1405953130.db2.gz LRPFTALEGVVBIS-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001692349345 1405967100 /nfs/dbraw/zinc/96/71/00/1405967100.db2.gz AKOXURONQXWSPI-CALCHBBNSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CCC(C)(C)CC1 ZINC001692368327 1405977200 /nfs/dbraw/zinc/97/72/00/1405977200.db2.gz OIHPJDFSAHHQBH-AEFFLSMTSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C[NH+](CC)CC)o1 ZINC001692386685 1405992761 /nfs/dbraw/zinc/99/27/61/1405992761.db2.gz SSVQKDVIQYSHGB-IRXDYDNUSA-N 2 0 347.503 3.210 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)C1)CCC1CCCCC1 ZINC001732015254 1428229861 /nfs/dbraw/zinc/22/98/61/1428229861.db2.gz LJUHQMXROILXTO-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001698568877 1406172646 /nfs/dbraw/zinc/17/26/46/1406172646.db2.gz GWCPVROLXFOMDA-UXHICEINSA-N 2 0 345.531 3.148 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698583464 1406197124 /nfs/dbraw/zinc/19/71/24/1406197124.db2.gz XPDNSWCKUQXBPW-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698601963 1406227302 /nfs/dbraw/zinc/22/73/02/1406227302.db2.gz XQTIMPYXTHEVFK-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](CNC(=O)c1sccc1C[NH+](C)C)[NH2+]CCC(C)(C)C ZINC001698602098 1406228370 /nfs/dbraw/zinc/22/83/70/1406228370.db2.gz ZLMGQTYLHJOJJB-HNNXBMFYSA-N 2 0 339.549 3.344 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H](CCNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001732048131 1428285329 /nfs/dbraw/zinc/28/53/29/1428285329.db2.gz BGEDBUSLWUQJFK-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732058030 1428303500 /nfs/dbraw/zinc/30/35/00/1428303500.db2.gz YQRDTFQEDBPHIX-IBGZPJMESA-N 2 0 345.531 3.236 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732149957 1428393112 /nfs/dbraw/zinc/39/31/12/1428393112.db2.gz QNZRKUMWQCPWLQ-YJTGKBQXSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001732163845 1428406417 /nfs/dbraw/zinc/40/64/17/1428406417.db2.gz WCMHRJFMPDRXCU-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732166543 1428409167 /nfs/dbraw/zinc/40/91/67/1428409167.db2.gz ZWHQXZZBTGRZOQ-DLBZAZTESA-N 2 0 343.531 3.025 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H](N(C)C(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001732175658 1428421342 /nfs/dbraw/zinc/42/13/42/1428421342.db2.gz KHZGMOBIEJZGLR-MHJFOBGBSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001732185941 1428435387 /nfs/dbraw/zinc/43/53/87/1428435387.db2.gz JOPUVVHRXVHGTD-QZEKMECESA-N 2 0 337.552 3.243 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732189716 1428441550 /nfs/dbraw/zinc/44/15/50/1428441550.db2.gz LOWWSKQFPVZYAW-KRWDZBQOSA-N 2 0 325.541 3.076 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001732190188 1428442140 /nfs/dbraw/zinc/44/21/40/1428442140.db2.gz QEVAEHBPUVCACD-APWZRJJASA-N 2 0 349.494 3.150 10 0 EGAERP CC1CCC(C[NH2+]C[C@](C)(NC(=O)C[N@H+](C)C2CCC2)C2CC2)CC1 ZINC001732245049 1428489140 /nfs/dbraw/zinc/48/91/40/1428489140.db2.gz LBQYGNLERAJEEC-BPZDKFOGSA-N 2 0 349.563 3.172 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001732282814 1428513408 /nfs/dbraw/zinc/51/34/08/1428513408.db2.gz VUSQVAWAAAKYAZ-RTBURBONSA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001732328735 1428535575 /nfs/dbraw/zinc/53/55/75/1428535575.db2.gz OCNJXBBLSKZECV-WWAPKCSDSA-N 2 0 335.536 3.188 10 0 EGAERP CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001732425329 1428575790 /nfs/dbraw/zinc/57/57/90/1428575790.db2.gz QNUAKJJGIYJVGD-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001732441672 1428582585 /nfs/dbraw/zinc/58/25/85/1428582585.db2.gz BJXSTMKGXSABPT-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732461721 1428593405 /nfs/dbraw/zinc/59/34/05/1428593405.db2.gz VUGRWGSLOJKBQA-BHIYHBOVSA-N 2 0 349.563 3.027 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCC2CCC2)C2CCCCC2)C1 ZINC001732477898 1428603993 /nfs/dbraw/zinc/60/39/93/1428603993.db2.gz BOAOQLBWGNRDLF-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732505931 1428625851 /nfs/dbraw/zinc/62/58/51/1428625851.db2.gz FAFRUHSPOLHMPT-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCCC2CCC2)C1 ZINC001732516096 1428635185 /nfs/dbraw/zinc/63/51/85/1428635185.db2.gz DQZNFPKVMDCABW-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001699068368 1412493757 /nfs/dbraw/zinc/49/37/57/1412493757.db2.gz XPNLAZSTRMVUDS-RTBURBONSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699127684 1412523338 /nfs/dbraw/zinc/52/33/38/1412523338.db2.gz ZLLZFVMYXZGVGR-LXPRWKDFSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699161657 1412544870 /nfs/dbraw/zinc/54/48/70/1412544870.db2.gz WDWGYMJBDPAFOT-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699198132 1412567880 /nfs/dbraw/zinc/56/78/80/1412567880.db2.gz XXEGMFCCKHIHEG-QGZVFWFLSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)(C)C1CCC(C[NH2+]C/C=C\CNC(=O)C[NH+]2CCCC2)CC1 ZINC001699362256 1412668946 /nfs/dbraw/zinc/66/89/46/1412668946.db2.gz KPFPYIKNPFJRMI-PLNGDYQASA-N 2 0 349.563 3.197 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C[NH2+][C@@H](CC)c1ccc(Cl)cc1)[NH+](C)C ZINC001699367893 1412673602 /nfs/dbraw/zinc/67/36/02/1412673602.db2.gz VVWBRHCLQSCLDC-XOKHGSTOSA-N 2 0 339.911 3.226 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001699396772 1412711566 /nfs/dbraw/zinc/71/15/66/1412711566.db2.gz KOQORVPKABIUDS-MSOLQXFVSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001699443823 1412775495 /nfs/dbraw/zinc/77/54/95/1412775495.db2.gz BCYWHUOSTVWWJO-YLJYHZDGSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001699474943 1412866376 /nfs/dbraw/zinc/86/63/76/1412866376.db2.gz YQWXKOJNRZDTTM-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CC1)CC(C)(C)C ZINC001699483314 1412878286 /nfs/dbraw/zinc/87/82/86/1412878286.db2.gz NISRWYJOXDPVMS-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H]1CCCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001699488972 1412886166 /nfs/dbraw/zinc/88/61/66/1412886166.db2.gz UARYPUQKKHWVBI-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CCC1=CCCCC1 ZINC001699506606 1412895672 /nfs/dbraw/zinc/89/56/72/1412895672.db2.gz LDXAGUBAFSWNHE-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001699533510 1412909961 /nfs/dbraw/zinc/90/99/61/1412909961.db2.gz LSIZGOWUBYAEIQ-MJGOQNOKSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699678218 1413073360 /nfs/dbraw/zinc/07/33/60/1413073360.db2.gz PFMIQASDXNWPMX-RAFMOHDBSA-N 2 0 349.563 3.407 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001699682921 1413077217 /nfs/dbraw/zinc/07/72/17/1413077217.db2.gz VQWBGGLBZZROFG-MOPGFXCFSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001699687882 1413087978 /nfs/dbraw/zinc/08/79/78/1413087978.db2.gz KNXBXDOPRMALRN-WOJBJXKFSA-N 2 0 347.547 3.116 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001699796093 1413205614 /nfs/dbraw/zinc/20/56/14/1413205614.db2.gz LJVFAJZJNRZNRN-PMACEKPBSA-N 2 0 349.563 3.480 10 0 EGAERP C[C@@H](c1ccccc1Cl)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001699824718 1413249309 /nfs/dbraw/zinc/24/93/09/1413249309.db2.gz RIVLQPOECJRGKG-KXBFYZLASA-N 2 0 349.906 3.077 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001699842350 1413271158 /nfs/dbraw/zinc/27/11/58/1413271158.db2.gz WZSPBIVLJAOSRI-FXAWDEMLSA-N 2 0 339.568 3.227 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001699862398 1413297079 /nfs/dbraw/zinc/29/70/79/1413297079.db2.gz TUQWVNVASUFNOB-RURPWVQCSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001699862317 1413297135 /nfs/dbraw/zinc/29/71/35/1413297135.db2.gz WLIXMVPHMXVMKN-LJQANCHMSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1(C)CC[NH+](CC2CCCC2)CC1 ZINC001699863617 1413299212 /nfs/dbraw/zinc/29/92/12/1413299212.db2.gz CBDXASSCFLAXHX-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCC2CC2)C1 ZINC001699867640 1413308550 /nfs/dbraw/zinc/30/85/50/1413308550.db2.gz CDBXVPDBFJDLTN-PZJWPPBQSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001699879560 1413344588 /nfs/dbraw/zinc/34/45/88/1413344588.db2.gz RUPUBLNGETXXNR-HXUWFJFHSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)[C@H]1C[NH2+]CC1CCC1 ZINC001732546984 1428723591 /nfs/dbraw/zinc/72/35/91/1428723591.db2.gz YWYSLCHKNSCFLZ-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699984216 1413431027 /nfs/dbraw/zinc/43/10/27/1413431027.db2.gz ABOFSBXCTVCKOS-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP CCC[N@H+](C)CCC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001732550881 1428733001 /nfs/dbraw/zinc/73/30/01/1428733001.db2.gz JNGOQUIBWBFXQI-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)CCC1 ZINC001700101603 1413519023 /nfs/dbraw/zinc/51/90/23/1413519023.db2.gz KYNGVQCZEOJORS-QAQDUYKDSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001700104433 1413522773 /nfs/dbraw/zinc/52/27/73/1413522773.db2.gz MZLPFXULVCPNKA-MUGJNUQGSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001732551043 1428733931 /nfs/dbraw/zinc/73/39/31/1428733931.db2.gz PUABEURYBUWWGQ-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001700158501 1413571256 /nfs/dbraw/zinc/57/12/56/1413571256.db2.gz WSCSVVFIVCWYKB-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001700182391 1413597827 /nfs/dbraw/zinc/59/78/27/1413597827.db2.gz WPVLBFFOVUXZIR-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CC1CC[NH+](CC(=O)N(C)CCC[N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001700193566 1413628345 /nfs/dbraw/zinc/62/83/45/1413628345.db2.gz FBSJKMWUADPEBN-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001700221248 1413667760 /nfs/dbraw/zinc/66/77/60/1413667760.db2.gz LCOFQHZFXGUFHP-IHHMQQGQSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001700224246 1413674393 /nfs/dbraw/zinc/67/43/93/1413674393.db2.gz BNBOUVMXKHATFV-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001700228814 1413685815 /nfs/dbraw/zinc/68/58/15/1413685815.db2.gz GMRJUMXKQXCTOG-UYAOXDASSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CC(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001700286921 1413734435 /nfs/dbraw/zinc/73/44/35/1413734435.db2.gz YWZRFKVTVVVTHZ-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001700312431 1413767460 /nfs/dbraw/zinc/76/74/60/1413767460.db2.gz AJKSTGVUTFAFHL-FUHWJXTLSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001700321061 1413787195 /nfs/dbraw/zinc/78/71/95/1413787195.db2.gz WEXNMTDYJFSFKJ-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[NH2+]Cc1ccccc1)[NH+](CC)CC ZINC001700345532 1413832150 /nfs/dbraw/zinc/83/21/50/1413832150.db2.gz UTEWAQBEPOPNLW-VQTJNVASSA-N 2 0 345.531 3.278 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001700361716 1413875831 /nfs/dbraw/zinc/87/58/31/1413875831.db2.gz BHSJZOXJMBNQEC-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001732571979 1428768192 /nfs/dbraw/zinc/76/81/92/1428768192.db2.gz AVAAZTSSYGKXHV-IBGZPJMESA-N 2 0 335.536 3.093 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001700411184 1413953220 /nfs/dbraw/zinc/95/32/20/1413953220.db2.gz DIGCKXCYXFNDDQ-MSOLQXFVSA-N 2 0 345.531 3.161 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001700431836 1413993911 /nfs/dbraw/zinc/99/39/11/1413993911.db2.gz SNRKORMQDMOFLQ-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP C[NH+]1CCC(C(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)CC1 ZINC001700512472 1414161907 /nfs/dbraw/zinc/16/19/07/1414161907.db2.gz HAKULKQYEJOMQX-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CCCC[C@@H](C[NH2+]CC=C(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700518534 1414172993 /nfs/dbraw/zinc/17/29/93/1414172993.db2.gz CHUOBPYMSINSRK-KRWDZBQOSA-N 2 0 342.487 3.487 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001700521885 1414177814 /nfs/dbraw/zinc/17/78/14/1414177814.db2.gz JVTNTGJYUASLRK-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cc(C[N@@H+]2CCCCC[C@H]2CNC(=O)C[NH+]2CCCC2)cs1 ZINC001700531522 1414198226 /nfs/dbraw/zinc/19/82/26/1414198226.db2.gz NUYLFULNNFRROW-SFHVURJKSA-N 2 0 349.544 3.013 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700574472 1414246808 /nfs/dbraw/zinc/24/68/08/1414246808.db2.gz PRUKHFJOAUYTNS-MOPGFXCFSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@]2(C)C[NH+](CC3CCCCC3)C[C@]2(C)C1 ZINC001700624008 1414295439 /nfs/dbraw/zinc/29/54/39/1414295439.db2.gz PGQAYYSZWBZKPX-OYRHEFFESA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@@H]2CCC[C@H](C)C2)C1 ZINC001700645240 1414310358 /nfs/dbraw/zinc/31/03/58/1414310358.db2.gz CMYMKVPNJKOCIW-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](CC1CCCC1)C1CCN(C(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001700696291 1414352855 /nfs/dbraw/zinc/35/28/55/1414352855.db2.gz HOPCYTKOUFQQJW-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001700749300 1414418951 /nfs/dbraw/zinc/41/89/51/1414418951.db2.gz NPVRQAFZEHKNGA-UXRNRCMTSA-N 2 0 343.515 3.009 10 0 EGAERP Cc1c(C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001700758277 1414431159 /nfs/dbraw/zinc/43/11/59/1414431159.db2.gz ABILJTDCOPAUMG-OAHLLOKOSA-N 2 0 330.476 3.129 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001700769863 1414447816 /nfs/dbraw/zinc/44/78/16/1414447816.db2.gz FMHXXWCEXPWBQA-QZTJIDSGSA-N 2 0 345.531 3.088 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2 ZINC001700868615 1414521472 /nfs/dbraw/zinc/52/14/72/1414521472.db2.gz ROMKFEARLQNBGM-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC/C=C/c1ccccc1 ZINC001700880339 1414536137 /nfs/dbraw/zinc/53/61/37/1414536137.db2.gz GMZVGNMLNFSKLU-HSBQTJJHSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001700886777 1414544894 /nfs/dbraw/zinc/54/48/94/1414544894.db2.gz FESZZMRMIZJEOP-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001700975132 1414608257 /nfs/dbraw/zinc/60/82/57/1414608257.db2.gz KJQGFBCXSABIAF-MOPGFXCFSA-N 2 0 337.552 3.362 10 0 EGAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CC3=CCCCC3)CC2)CC1)[NH+](C)C ZINC001701029611 1414691286 /nfs/dbraw/zinc/69/12/86/1414691286.db2.gz DUMUWXKWXPBAHP-IBGZPJMESA-N 2 0 347.547 3.188 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NCC1=CC[N@H+](CC2=CCCCC2)CC1 ZINC001701062383 1414718961 /nfs/dbraw/zinc/71/89/61/1414718961.db2.gz AANPQUCYTUEHJU-UHFFFAOYSA-N 2 0 345.531 3.111 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CC=C(C)C)C1 ZINC001732608135 1428865277 /nfs/dbraw/zinc/86/52/77/1428865277.db2.gz PPOGOSDATLFBNB-UXHICEINSA-N 2 0 349.563 3.388 10 0 EGAERP CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)C[N@H+](C)C1CCC1 ZINC001732778086 1428964757 /nfs/dbraw/zinc/96/47/57/1428964757.db2.gz IFXRQJOIWSMVFR-UHFFFAOYSA-N 2 0 345.531 3.034 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001732796963 1428977704 /nfs/dbraw/zinc/97/77/04/1428977704.db2.gz GWOIKSWGTPQNIC-UHFFFAOYSA-N 2 0 347.547 3.219 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001732812315 1428990302 /nfs/dbraw/zinc/99/03/02/1428990302.db2.gz NJLMKWDPBSJRJE-HXUWFJFHSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CCC2CCCCC2)C1 ZINC001733009774 1429129396 /nfs/dbraw/zinc/12/93/96/1429129396.db2.gz NMUJIMUMCPKRFX-HKUYNNGSSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@H](C(=O)N1CC2(C[C@H]1C)CC[NH+](C(C)C)CC2)[NH+](CC)CC ZINC001707123459 1417210522 /nfs/dbraw/zinc/21/05/22/1417210522.db2.gz DZHSHUYUHGWDKY-QZTJIDSGSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001707158773 1417224895 /nfs/dbraw/zinc/22/48/95/1417224895.db2.gz XIMKGZOMTYDHCT-CEXWTWQISA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001707203307 1417243260 /nfs/dbraw/zinc/24/32/60/1417243260.db2.gz DRMTVMJFEOUJMZ-PXIXMTEYSA-N 2 0 349.563 3.432 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001707282465 1417293544 /nfs/dbraw/zinc/29/35/44/1417293544.db2.gz XUGPJYAISYPJSC-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@@H](C)c1cccc(C)c1 ZINC001707452287 1417356537 /nfs/dbraw/zinc/35/65/37/1417356537.db2.gz OOMJKYLLGWNQJF-SFHVURJKSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](Cc1ccccc1)C1CC1 ZINC001707479495 1417376790 /nfs/dbraw/zinc/37/67/90/1417376790.db2.gz YXQFYOFMXWVGMC-HXUWFJFHSA-N 2 0 343.515 3.030 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CCC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001707482313 1417378648 /nfs/dbraw/zinc/37/86/48/1417378648.db2.gz LXFYPKYWCRXWBI-YLJYHZDGSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H](C(=O)NCCC[N@H+](C)CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001712976059 1417529178 /nfs/dbraw/zinc/52/91/78/1417529178.db2.gz WRGIYZRFLJDCOJ-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001712976123 1417529342 /nfs/dbraw/zinc/52/93/42/1417529342.db2.gz YWRIGLWRYQCUST-IBGZPJMESA-N 2 0 345.531 3.198 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001713056838 1417610895 /nfs/dbraw/zinc/61/08/95/1417610895.db2.gz QDDKQRSXLGHWPB-LJQANCHMSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001713169566 1417742752 /nfs/dbraw/zinc/74/27/52/1417742752.db2.gz IGAXHGMVIWDCKI-WDSOQIARSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001713201457 1417772074 /nfs/dbraw/zinc/77/20/74/1417772074.db2.gz UABCROADFGVBMX-DQEVTTJGSA-N 2 0 349.494 3.244 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001713215644 1417790722 /nfs/dbraw/zinc/79/07/22/1417790722.db2.gz PKFOFEVKGZXBDH-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713252192 1417844158 /nfs/dbraw/zinc/84/41/58/1417844158.db2.gz SJIVHZONLZZOQP-QRTFGMIHSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001713263363 1417871477 /nfs/dbraw/zinc/87/14/77/1417871477.db2.gz KVFNWIAKLXGBHR-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713275239 1417892988 /nfs/dbraw/zinc/89/29/88/1417892988.db2.gz GHRBACKNFZIAJF-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001713278340 1417901807 /nfs/dbraw/zinc/90/18/07/1417901807.db2.gz SCPQGHZIUZFYBD-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCC[N@H+](CCC2=CCCCC2)C1 ZINC001713279714 1417905919 /nfs/dbraw/zinc/90/59/19/1417905919.db2.gz SQBMOPRWUNUPRY-QUCCMNQESA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001713343497 1417965274 /nfs/dbraw/zinc/96/52/74/1417965274.db2.gz VUMLIDZLAQBDSS-OGZRUICASA-N 2 0 349.544 3.218 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713346719 1417966998 /nfs/dbraw/zinc/96/69/98/1417966998.db2.gz WVRHRMOWAWSONH-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713396201 1418012338 /nfs/dbraw/zinc/01/23/38/1418012338.db2.gz XGTMWONYAYDTLD-DKFQHHCZSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001713433158 1418062590 /nfs/dbraw/zinc/06/25/90/1418062590.db2.gz SFQKJEIFEUWBBU-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)CC1CC[NH+](C)CC1 ZINC001733079551 1429233653 /nfs/dbraw/zinc/23/36/53/1429233653.db2.gz NSCMOXOZDDBEJI-PSCPARJHSA-N 2 0 349.563 3.339 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@H](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001713492974 1418194478 /nfs/dbraw/zinc/19/44/78/1418194478.db2.gz RPQVNUDHVJYVKP-HKUYNNGSSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001713514190 1418246839 /nfs/dbraw/zinc/24/68/39/1418246839.db2.gz VSPZAFHXIXHOSV-YLJYHZDGSA-N 2 0 345.531 3.403 10 0 EGAERP Cc1c(C(=O)NC[C@H]2CC[N@@H+](CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001713531477 1418279792 /nfs/dbraw/zinc/27/97/92/1418279792.db2.gz ASEYIGCZNITZEZ-QGZVFWFLSA-N 2 0 342.487 3.131 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713677082 1418429070 /nfs/dbraw/zinc/42/90/70/1418429070.db2.gz KOBFCGJSUPQFMA-JTGQJZMRSA-N 2 0 335.536 3.044 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001713717519 1418484297 /nfs/dbraw/zinc/48/42/97/1418484297.db2.gz MUYYHDDVOQMQJZ-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]C/C=C/c1ccccc1 ZINC001733146881 1429262364 /nfs/dbraw/zinc/26/23/64/1429262364.db2.gz RKHUXLUCFDVWJX-BZZHFGAJSA-N 2 0 343.515 3.011 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001713783294 1418599559 /nfs/dbraw/zinc/59/95/59/1418599559.db2.gz CUNIGTLOACQFEY-UHFFFAOYSA-N 2 0 339.568 3.467 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1C[NH+](CC2CCCCC2)C1 ZINC001713828952 1418627518 /nfs/dbraw/zinc/62/75/18/1418627518.db2.gz XCUJVEDCRVDXNM-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP CCCN(C(=O)CCC[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001713857138 1418653555 /nfs/dbraw/zinc/65/35/55/1418653555.db2.gz JFGDHALLMFFFEX-UHFFFAOYSA-N 2 0 339.568 3.467 10 0 EGAERP CC(C)(C)CCC[NH2+][C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001713869546 1418666284 /nfs/dbraw/zinc/66/62/84/1418666284.db2.gz ZZRJPIGSIUWKIG-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001713900893 1418701094 /nfs/dbraw/zinc/70/10/94/1418701094.db2.gz ZDVDMDCHEGYHHL-HXUWFJFHSA-N 2 0 345.531 3.089 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713987383 1418765150 /nfs/dbraw/zinc/76/51/50/1418765150.db2.gz NYWYESBWRVUMNF-KURKYZTESA-N 2 0 349.563 3.314 10 0 EGAERP CCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001714041319 1418831346 /nfs/dbraw/zinc/83/13/46/1418831346.db2.gz WVYGLNMAOADXLW-FQEVSTJZSA-N 2 0 347.547 3.284 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001714047504 1418844305 /nfs/dbraw/zinc/84/43/05/1418844305.db2.gz AKNSBOOEBKLFSM-YSKLNCTFSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001714135852 1418939126 /nfs/dbraw/zinc/93/91/26/1418939126.db2.gz DRGZMWYXVQCCQA-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714143336 1418946031 /nfs/dbraw/zinc/94/60/31/1418946031.db2.gz AREDQGDKVFDNMJ-RBUKOAKNSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001714168963 1418977552 /nfs/dbraw/zinc/97/75/52/1418977552.db2.gz GPDIQRWLQAYYSS-MDKPJZGXSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CC1=CCCCC1)NC(=O)CCC[NH+](C)C ZINC001714188289 1418995144 /nfs/dbraw/zinc/99/51/44/1418995144.db2.gz LOSPKLKFYQLLLD-RXVVDRJESA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CC(C)C)C1 ZINC001714217052 1419014270 /nfs/dbraw/zinc/01/42/70/1419014270.db2.gz UFAMRQZEQGFLDT-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CC1CC(C[NH2+]CCC2CCN(C(=O)C(C)(C)[NH+]3CCCC3)CC2)C1 ZINC001714276593 1419056867 /nfs/dbraw/zinc/05/68/67/1419056867.db2.gz BCSMNZIJWABHTK-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001714320978 1419099779 /nfs/dbraw/zinc/09/97/79/1419099779.db2.gz JLBUSWWKCCIKBM-QGZVFWFLSA-N 2 0 345.531 3.313 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCC(C)(C)C)C1 ZINC001714345878 1419116583 /nfs/dbraw/zinc/11/65/83/1419116583.db2.gz DGUUHJGCWBPXDS-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400744 1419143998 /nfs/dbraw/zinc/14/39/98/1419143998.db2.gz DORUUYXXRDMJAP-ZWKOTPCHSA-N 2 0 347.547 3.068 10 0 EGAERP C[NH+](CC1=CCCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001714448949 1419181271 /nfs/dbraw/zinc/18/12/71/1419181271.db2.gz NSCDHGLAOINHHW-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@@H](C)c1ccccc1 ZINC001714476043 1419199581 /nfs/dbraw/zinc/19/95/81/1419199581.db2.gz VVPBCSNWDMPJMX-MSOLQXFVSA-N 2 0 343.515 3.108 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1F ZINC001714484648 1419207772 /nfs/dbraw/zinc/20/77/72/1419207772.db2.gz IPGHTJWZWFWORC-CVEARBPZSA-N 2 0 349.494 3.246 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCC[C@@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001714624119 1419393453 /nfs/dbraw/zinc/39/34/53/1419393453.db2.gz OPKPGBJXHLHZLC-LJQANCHMSA-N 2 0 345.531 3.033 10 0 EGAERP CCc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001714762316 1419498273 /nfs/dbraw/zinc/49/82/73/1419498273.db2.gz GOXQIXZTJPWZFW-SFHVURJKSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001714803189 1419516767 /nfs/dbraw/zinc/51/67/67/1419516767.db2.gz TWPMBOYYOUIOMY-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714811327 1419522694 /nfs/dbraw/zinc/52/26/94/1419522694.db2.gz HAMFNNNGIFLTMM-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714839742 1419552416 /nfs/dbraw/zinc/55/24/16/1419552416.db2.gz MONXBZMQFMRTAY-OALUTQOASA-N 2 0 331.504 3.105 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001714978440 1419713092 /nfs/dbraw/zinc/71/30/92/1419713092.db2.gz KQRLDOYFGZZWKQ-VQIMIIECSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH+]2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001714982749 1419716808 /nfs/dbraw/zinc/71/68/08/1419716808.db2.gz UNYHHXKDKLBYCQ-KRWDZBQOSA-N 2 0 345.531 3.259 10 0 EGAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001715046813 1419787273 /nfs/dbraw/zinc/78/72/73/1419787273.db2.gz BKFOMLRRZVSXJS-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCN(C(=O)CCC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001715048595 1419789943 /nfs/dbraw/zinc/78/99/43/1419789943.db2.gz VKTIAHUAZSLLIS-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@H](N(CC)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001715049446 1419790810 /nfs/dbraw/zinc/79/08/10/1419790810.db2.gz WZZZQZKROSNRCL-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001715105192 1419846567 /nfs/dbraw/zinc/84/65/67/1419846567.db2.gz XBYICGQBTMMGMY-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001715159980 1419901767 /nfs/dbraw/zinc/90/17/67/1419901767.db2.gz IKRRPSDTLPQOET-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP O=C([C@H]1CCC[N@@H+]1C1CCCC1)N1CCC(CC[NH2+]CC2CC2)CC1 ZINC001715169212 1419907327 /nfs/dbraw/zinc/90/73/27/1419907327.db2.gz AOKVZTFTEMBYFV-HXUWFJFHSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001715170314 1419908418 /nfs/dbraw/zinc/90/84/18/1419908418.db2.gz HLMWJLIHQVXYBA-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001715182125 1419915848 /nfs/dbraw/zinc/91/58/48/1419915848.db2.gz JBNKFJPITAKHQW-FHWLQOOXSA-N 2 0 337.552 3.457 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2CCCCCC2)CC1 ZINC001715186493 1419919191 /nfs/dbraw/zinc/91/91/91/1419919191.db2.gz FAAMSIDRQHKZRU-WGSAOQKQSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001715192148 1419923921 /nfs/dbraw/zinc/92/39/21/1419923921.db2.gz RDTVLDNLQONQEX-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001715256895 1419979335 /nfs/dbraw/zinc/97/93/35/1419979335.db2.gz NRWUAYWYPDOBIX-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]C[C@@H](C)CC)CCCC2)C1 ZINC001715304338 1420012693 /nfs/dbraw/zinc/01/26/93/1420012693.db2.gz NIDYWQJXODOSAD-ZWKOTPCHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001715305880 1420014720 /nfs/dbraw/zinc/01/47/20/1420014720.db2.gz GNQLXDNFKMCXSG-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC2=CCCCC2)CCCC1 ZINC001715309016 1420018354 /nfs/dbraw/zinc/01/83/54/1420018354.db2.gz DLTRFKNNAGIWJF-UHFFFAOYSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001715365038 1420062381 /nfs/dbraw/zinc/06/23/81/1420062381.db2.gz REFNZOPWAQTBCN-APWZRJJASA-N 2 0 343.531 3.072 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1c(C)cccc1C ZINC001715376642 1420072671 /nfs/dbraw/zinc/07/26/71/1420072671.db2.gz KLFOXLSGVKZAQP-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CCCC2)C2CCCCC2)CC1 ZINC001715398433 1420096587 /nfs/dbraw/zinc/09/65/87/1420096587.db2.gz BRQZZZLMIWPTDL-FQEVSTJZSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001715410685 1420107124 /nfs/dbraw/zinc/10/71/24/1420107124.db2.gz IWRQLDPIKCVITE-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1C ZINC001715425619 1420116248 /nfs/dbraw/zinc/11/62/48/1420116248.db2.gz ZPTNKEKWKGSZPN-WWAPKCSDSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2CC[NH2+]CC2=CCCCC2)CC1 ZINC001715449965 1420133128 /nfs/dbraw/zinc/13/31/28/1420133128.db2.gz ZCMUVVIGSJTIDV-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715471474 1420150644 /nfs/dbraw/zinc/15/06/44/1420150644.db2.gz IQDXXOQANMLWEY-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@@H]21 ZINC001715543169 1420241015 /nfs/dbraw/zinc/24/10/15/1420241015.db2.gz AIUINCULCJWAKR-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCCC1)C1CCC1 ZINC001715566359 1420256547 /nfs/dbraw/zinc/25/65/47/1420256547.db2.gz KNRZSKNASNVQJF-QUCCMNQESA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](CNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001715730788 1420315659 /nfs/dbraw/zinc/31/56/59/1420315659.db2.gz SAPDBRQTBSSEMS-UYAOXDASSA-N 2 0 345.531 3.191 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001715779024 1420340452 /nfs/dbraw/zinc/34/04/52/1420340452.db2.gz XEMPECHNIXOVHL-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+]C/C=C\CNC(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001715888416 1420384097 /nfs/dbraw/zinc/38/40/97/1420384097.db2.gz ZKTPBRBMMYBXQA-KKSLTYSGSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]Cc1ccsc1)[NH+]1CCCCC1 ZINC001715915569 1420395704 /nfs/dbraw/zinc/39/57/04/1420395704.db2.gz UCXCCFRYCCCNNE-PYTPGESOSA-N 2 0 349.544 3.021 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716034534 1420493606 /nfs/dbraw/zinc/49/36/06/1420493606.db2.gz KNZCUSHKDCCLBR-QZTJIDSGSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)[NH+]1CCCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1CCCC1 ZINC001716042575 1420505660 /nfs/dbraw/zinc/50/56/60/1420505660.db2.gz QQGKHWQSGRWLQP-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)CC[NH2+]Cc2ccc(C)cc2)C1 ZINC001716168680 1420548874 /nfs/dbraw/zinc/54/88/74/1420548874.db2.gz QMVCETYAJZXMLB-ICSRJNTNSA-N 2 0 345.531 3.101 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001716278221 1420591584 /nfs/dbraw/zinc/59/15/84/1420591584.db2.gz YLXOEQBFEGWLTG-MZCYRKOTSA-N 2 0 349.563 3.195 10 0 EGAERP CC(C)(C)CC[NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716303562 1420598424 /nfs/dbraw/zinc/59/84/24/1420598424.db2.gz PYZLXXDZTWBXQP-DKFQHHCZSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001716329991 1420606505 /nfs/dbraw/zinc/60/65/05/1420606505.db2.gz NBPCCSDAXBQQBR-XOIGSVRCSA-N 2 0 349.563 3.339 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC001716455486 1420670172 /nfs/dbraw/zinc/67/01/72/1420670172.db2.gz YHHVQUKTZCSNHB-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1cc(C)cc(C)c1 ZINC001716481573 1420698670 /nfs/dbraw/zinc/69/86/70/1420698670.db2.gz SXRXECWLCZNFGM-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001716483077 1420701658 /nfs/dbraw/zinc/70/16/58/1420701658.db2.gz YJMYTCMURXNFQL-QFBILLFUSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716513406 1420743701 /nfs/dbraw/zinc/74/37/01/1420743701.db2.gz BIXBQJYJWPZQML-RTBURBONSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716515496 1420745324 /nfs/dbraw/zinc/74/53/24/1420745324.db2.gz JUEAYMRSWQQNQY-MSOLQXFVSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1cc(C)c(C(=O)N(C)CCC[NH2+]Cc2ccccc2)c(C)n1 ZINC001716556960 1420759929 /nfs/dbraw/zinc/75/99/29/1420759929.db2.gz XUFQEUCTKZAHCM-UHFFFAOYSA-N 2 0 325.456 3.259 10 0 EGAERP CN(CCC[NH2+]C/C=C\c1ccccc1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001716559096 1420760378 /nfs/dbraw/zinc/76/03/78/1420760378.db2.gz ADRVGVXJHIDDAF-LCYFTJDESA-N 2 0 343.515 3.012 10 0 EGAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001716586884 1420769457 /nfs/dbraw/zinc/76/94/57/1420769457.db2.gz JSIGIIPKKWXLAI-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001716638121 1420795440 /nfs/dbraw/zinc/79/54/40/1420795440.db2.gz WPKHOLUINCBFHG-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](C(=O)NC[C@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665220 1420820207 /nfs/dbraw/zinc/82/02/07/1420820207.db2.gz IRFVSWUWRYZBBG-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001716734171 1420892477 /nfs/dbraw/zinc/89/24/77/1420892477.db2.gz OXAQUOFNTXCKCU-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@H+](CC(=O)NC1(C)CC[NH+](CC2CCCC2)CC1)CC(C)(C)C ZINC001716796871 1420929767 /nfs/dbraw/zinc/92/97/67/1420929767.db2.gz KGRBAYFWQHWFOI-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001716812953 1420938727 /nfs/dbraw/zinc/93/87/27/1420938727.db2.gz WAZVMGNSZWNAGT-WOJBJXKFSA-N 2 0 339.483 3.091 10 0 EGAERP C[C@H]([NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1cccc(F)c1 ZINC001716820841 1420946875 /nfs/dbraw/zinc/94/68/75/1420946875.db2.gz JPAKZQKPXBHVNP-HNAYVOBHSA-N 2 0 349.494 3.103 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716850414 1420980443 /nfs/dbraw/zinc/98/04/43/1420980443.db2.gz MTGSKTSHIGAXAE-NQIIRXRSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@]1(C)CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001716853661 1420984966 /nfs/dbraw/zinc/98/49/66/1420984966.db2.gz GAUKOEWEECXHLF-FQEVSTJZSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001716880952 1421005321 /nfs/dbraw/zinc/00/53/21/1421005321.db2.gz XQGRSZKJQACSJN-FPOVZHCZSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001716967391 1421055817 /nfs/dbraw/zinc/05/58/17/1421055817.db2.gz SCCOTJBFILZQCS-NVXWUHKLSA-N 2 0 340.471 3.049 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001716996858 1421066183 /nfs/dbraw/zinc/06/61/83/1421066183.db2.gz FQJSFQREOWOETQ-XLIONFOSSA-N 2 0 345.531 3.092 10 0 EGAERP C[N@H+](CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CC1)C1CCCCC1 ZINC001733283265 1429455321 /nfs/dbraw/zinc/45/53/21/1429455321.db2.gz FYIPSGLKLYKIIY-BGYRXZFFSA-N 2 0 347.547 3.116 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001717036562 1421090311 /nfs/dbraw/zinc/09/03/11/1421090311.db2.gz FSBLSYAUVFAUPH-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001717084691 1421103606 /nfs/dbraw/zinc/10/36/06/1421103606.db2.gz UIZLJPUDAVWXQF-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001717117995 1421122756 /nfs/dbraw/zinc/12/27/56/1421122756.db2.gz JEQFOFKUHAJERV-KRWDZBQOSA-N 2 0 343.515 3.095 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717122568 1421125376 /nfs/dbraw/zinc/12/53/76/1421125376.db2.gz FYZYOSGULCNARI-BHIYHBOVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001717150150 1421141111 /nfs/dbraw/zinc/14/11/11/1421141111.db2.gz PWPWZBJJDUCBBA-SFHVURJKSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717149902 1421141146 /nfs/dbraw/zinc/14/11/46/1421141146.db2.gz GWIUPINOATZJJP-LJQANCHMSA-N 2 0 349.563 3.458 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCC1 ZINC001717152471 1421143110 /nfs/dbraw/zinc/14/31/10/1421143110.db2.gz CQIIRSVDNDXISU-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001717159394 1421148880 /nfs/dbraw/zinc/14/88/80/1421148880.db2.gz GKQHHMKFNSLRSQ-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CCC[NH+](CCCC(C)C)CC2)CC[N@@H+]1C ZINC001717195976 1421162647 /nfs/dbraw/zinc/16/26/47/1421162647.db2.gz SUVKPPSQNJGVGF-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001717217563 1421195431 /nfs/dbraw/zinc/19/54/31/1421195431.db2.gz SNCNHEUMBQIGDZ-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001733288185 1429464506 /nfs/dbraw/zinc/46/45/06/1429464506.db2.gz UNAKEVBRCCFXDI-CTNGQTDRSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001717334951 1421271856 /nfs/dbraw/zinc/27/18/56/1421271856.db2.gz BRWIODQWCYNTPA-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001717344784 1421284696 /nfs/dbraw/zinc/28/46/96/1421284696.db2.gz YKIJPQJXMHPXIE-UXHICEINSA-N 2 0 345.531 3.232 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001717366202 1421301894 /nfs/dbraw/zinc/30/18/94/1421301894.db2.gz VQNLGJQZIZPHMS-MOPGFXCFSA-N 2 0 337.552 3.218 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001717375744 1421317384 /nfs/dbraw/zinc/31/73/84/1421317384.db2.gz BTORZCSEUDJWBP-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001717379551 1421323797 /nfs/dbraw/zinc/32/37/97/1421323797.db2.gz XBYUINNABIPSNE-WOJBJXKFSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717409578 1421342115 /nfs/dbraw/zinc/34/21/15/1421342115.db2.gz FJWBTYUZDGMNNM-SJORKVTESA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001717439989 1421369019 /nfs/dbraw/zinc/36/90/19/1421369019.db2.gz WKXRPFMEEFXDSU-IRXDYDNUSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)CCC[NH+]2CCCC2)cc1C ZINC001717442542 1421371670 /nfs/dbraw/zinc/37/16/70/1421371670.db2.gz PTEDFPGNBSRGQA-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001717458490 1421387765 /nfs/dbraw/zinc/38/77/65/1421387765.db2.gz UWTANSMOBCSBML-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001717459953 1421389602 /nfs/dbraw/zinc/38/96/02/1421389602.db2.gz UBKHEDBLDOBBLS-IAGOWNOFSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+]CC1=CCCCC1 ZINC001717516896 1421454248 /nfs/dbraw/zinc/45/42/48/1421454248.db2.gz SCUBETRWMRYLFE-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](C(=O)NC1(C[NH2+]CCC2CC2)CCCCC1)[NH+]1CCCCCC1 ZINC001717526008 1421461546 /nfs/dbraw/zinc/46/15/46/1421461546.db2.gz MBIUKTMUGZOLTN-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717541421 1421482540 /nfs/dbraw/zinc/48/25/40/1421482540.db2.gz YKIYEKJXHKSPSK-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1C[C@H](NC(=O)C[N@@H+](C)C(C)C)C(C)(C)C1 ZINC001717590110 1421518668 /nfs/dbraw/zinc/51/86/68/1421518668.db2.gz VWMYUWQZPMMXBV-MJGOQNOKSA-N 2 0 345.531 3.223 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001717632722 1421542970 /nfs/dbraw/zinc/54/29/70/1421542970.db2.gz RWLLLEFRSQWVTK-OYRHEFFESA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](CCNC(=O)C[NH+]2CCCC2)C(C)C)c1 ZINC001717722221 1421590397 /nfs/dbraw/zinc/59/03/97/1421590397.db2.gz HOSARZJFSNEUMQ-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001717743043 1421606570 /nfs/dbraw/zinc/60/65/70/1421606570.db2.gz WQGHTNVGIIMSMT-IRXDYDNUSA-N 2 0 333.520 3.259 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001717795065 1421626473 /nfs/dbraw/zinc/62/64/73/1421626473.db2.gz DBNYQIUUMGWGAX-LXORQPIJSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1C ZINC001717854933 1421667134 /nfs/dbraw/zinc/66/71/34/1421667134.db2.gz AHIBWOGNZPUYGN-WYNBNGFRSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001717896402 1421694083 /nfs/dbraw/zinc/69/40/83/1421694083.db2.gz GYVRPFKHYGVYAX-JNVNVXKGSA-N 2 0 349.563 3.290 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1(C)C ZINC001717905292 1421701161 /nfs/dbraw/zinc/70/11/61/1421701161.db2.gz PGBNHRREAQKDFV-VXOKQSJXSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCCc2ccccc21)C(C)(C)C ZINC001717966924 1421738983 /nfs/dbraw/zinc/73/89/83/1421738983.db2.gz UBGSICDPGDTYOH-MOPGFXCFSA-N 2 0 345.531 3.136 10 0 EGAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001717983779 1421755769 /nfs/dbraw/zinc/75/57/69/1421755769.db2.gz KRXWKTOOCTTWJS-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001733327926 1429513365 /nfs/dbraw/zinc/51/33/65/1429513365.db2.gz OCWODZAYTKXUQC-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001733392351 1429582586 /nfs/dbraw/zinc/58/25/86/1429582586.db2.gz CIPWMSXHQQKULT-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733426333 1429634080 /nfs/dbraw/zinc/63/40/80/1429634080.db2.gz DULOOGAGNJQPIQ-FPOVZHCZSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@H](C)Cc2c[nH]cn2)CC1 ZINC001733453145 1429666705 /nfs/dbraw/zinc/66/67/05/1429666705.db2.gz UXJRVOVEXGYQLZ-FUTAKVPZSA-N 2 0 346.519 3.163 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@]1(C)CCC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001733460738 1429685107 /nfs/dbraw/zinc/68/51/07/1429685107.db2.gz FMXWFJOBQDRQSX-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)C/C=C/c1ccccc1 ZINC001722915811 1424252140 /nfs/dbraw/zinc/25/21/40/1424252140.db2.gz IENPCDQGLIAQLK-ADRWGQEASA-N 2 0 343.515 3.011 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001722916728 1424253465 /nfs/dbraw/zinc/25/34/65/1424253465.db2.gz OBQGEIJFOBWZFS-YJBOKZPZSA-N 2 0 337.483 3.054 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)Cc1cc2ccccc2s1 ZINC001722916983 1424254992 /nfs/dbraw/zinc/25/49/92/1424254992.db2.gz QJEXSPPXBUSELS-HNNXBMFYSA-N 2 0 347.528 3.178 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC(C)(C)C)C1CCC1 ZINC001722943281 1424270077 /nfs/dbraw/zinc/27/00/77/1424270077.db2.gz POZBTDRSWHVMFT-WMZOPIPTSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H]2CCCC[C@H]2NC(=O)CC[NH+](C)C)c1 ZINC001722950579 1424273628 /nfs/dbraw/zinc/27/36/28/1424273628.db2.gz BCHXIFGVKOCUNK-UYAOXDASSA-N 2 0 345.531 3.020 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001722954707 1424276270 /nfs/dbraw/zinc/27/62/70/1424276270.db2.gz OAJGGGZBNDUCNG-IRXDYDNUSA-N 2 0 325.541 3.029 10 0 EGAERP CCc1ccccc1C[NH2+]CCCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC001723205622 1424320430 /nfs/dbraw/zinc/32/04/30/1424320430.db2.gz ZJRIZCLAJIEQMN-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001723858912 1424587786 /nfs/dbraw/zinc/58/77/86/1424587786.db2.gz OZSSGYZIELFDNB-DOTOQJQBSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001723872780 1424593357 /nfs/dbraw/zinc/59/33/57/1424593357.db2.gz GJABZLBNBKEBCG-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001724173113 1424706522 /nfs/dbraw/zinc/70/65/22/1424706522.db2.gz BHOKEOCLHLVWJJ-GHTZIAJQSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CC=C(C)C)C1 ZINC001724325587 1424813816 /nfs/dbraw/zinc/81/38/16/1424813816.db2.gz ZDZQUGAUUHPVCR-QUCCMNQESA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001724330316 1424821181 /nfs/dbraw/zinc/82/11/81/1424821181.db2.gz NFUKTNAWJQUTIT-CMKODMSKSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCC1)C2 ZINC001724505989 1424882054 /nfs/dbraw/zinc/88/20/54/1424882054.db2.gz MRWCQMXDQCUWKY-UFYCRDLUSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724537638 1424900831 /nfs/dbraw/zinc/90/08/31/1424900831.db2.gz BPICWICPHMKHRJ-PKOBYXMFSA-N 2 0 345.531 3.031 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724545204 1424904643 /nfs/dbraw/zinc/90/46/43/1424904643.db2.gz AHAUJRCRVRMEOA-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001724615115 1424961808 /nfs/dbraw/zinc/96/18/08/1424961808.db2.gz DUSQYBQQLWOJHY-UHFFFAOYSA-N 2 0 345.531 3.137 10 0 EGAERP CCC/C=C/CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724710130 1425065902 /nfs/dbraw/zinc/06/59/02/1425065902.db2.gz HOHBNOGOXSBYNK-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724729044 1425081008 /nfs/dbraw/zinc/08/10/08/1425081008.db2.gz UIDHNIVANZUYGD-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001733572771 1429776482 /nfs/dbraw/zinc/77/64/82/1429776482.db2.gz VOVXODHSJDNIRA-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001724741140 1425105652 /nfs/dbraw/zinc/10/56/52/1425105652.db2.gz IHXBARBAZVUHRK-QFBILLFUSA-N 2 0 331.504 3.238 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749457 1425119018 /nfs/dbraw/zinc/11/90/18/1425119018.db2.gz MYAMDJHMCTVQPF-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCc2c(CNC(=O)CC[NH+](C)C)cccc2C1 ZINC001724776186 1425140175 /nfs/dbraw/zinc/14/01/75/1425140175.db2.gz HNZUVHWVDFLCOS-UHFFFAOYSA-N 2 0 345.531 3.049 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)[C@@H](C)C3)CCC2)CC1 ZINC001724796287 1425164091 /nfs/dbraw/zinc/16/40/91/1425164091.db2.gz LUZDVXHXWODVPI-JEVOJNTISA-N 2 0 349.563 3.172 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CCC2=CCCCC2)CCC1 ZINC001724799077 1425168039 /nfs/dbraw/zinc/16/80/39/1425168039.db2.gz BWGUJXINSYTKTR-UHFFFAOYSA-N 2 0 347.547 3.381 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001724800580 1425169585 /nfs/dbraw/zinc/16/95/85/1425169585.db2.gz NXTROSVVPDITHE-CALCHBBNSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001724843509 1425193441 /nfs/dbraw/zinc/19/34/41/1425193441.db2.gz KFMPIWWADQWIKF-UYAOXDASSA-N 2 0 345.531 3.450 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001724867969 1425251529 /nfs/dbraw/zinc/25/15/29/1425251529.db2.gz OEJSEBVCQFMPFK-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CCCC3)C2)C1 ZINC001724901785 1425295827 /nfs/dbraw/zinc/29/58/27/1425295827.db2.gz ZFJCSMZZNAJTHU-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001724974758 1425376815 /nfs/dbraw/zinc/37/68/15/1425376815.db2.gz ONKRZQUSPRPAQH-CNZFZVQHSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001724980228 1425381563 /nfs/dbraw/zinc/38/15/63/1425381563.db2.gz TYILAXNOVWXEBI-OZHPBFKBSA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001725026870 1425445801 /nfs/dbraw/zinc/44/58/01/1425445801.db2.gz YLSXRTJPNGPYPT-HCZHMGAMSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001725129962 1425598234 /nfs/dbraw/zinc/59/82/34/1425598234.db2.gz FKCCEIGEZGEXSJ-SOAGJPPSSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001725192687 1425741771 /nfs/dbraw/zinc/74/17/71/1425741771.db2.gz CFSXGOJPNYXXKY-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)C1 ZINC001725238362 1425832307 /nfs/dbraw/zinc/83/23/07/1425832307.db2.gz HCWVNXNQMJMSFX-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCCC2CCC2)C1 ZINC001725241314 1425847651 /nfs/dbraw/zinc/84/76/51/1425847651.db2.gz OMQBBZCAXIJSHA-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247381 1425866479 /nfs/dbraw/zinc/86/64/79/1425866479.db2.gz IMUFGYQUHDZQRW-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001725290596 1425933625 /nfs/dbraw/zinc/93/36/25/1425933625.db2.gz POJKCYJGTQMZAZ-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)C2)C1 ZINC001725344198 1425995377 /nfs/dbraw/zinc/99/53/77/1425995377.db2.gz PDYQAMUCZFQAMO-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001725344674 1425996098 /nfs/dbraw/zinc/99/60/98/1425996098.db2.gz RSEYZYZSBYANFN-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C[NH+]2CCCC2)c1 ZINC001725415688 1426060970 /nfs/dbraw/zinc/06/09/70/1426060970.db2.gz HCNUKOTVPVYYJQ-QZTJIDSGSA-N 2 0 331.504 3.026 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471841 1426143280 /nfs/dbraw/zinc/14/32/80/1426143280.db2.gz JWVICTSVZQFUEV-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCCC(C)C)[C@H]2C)ccc2c[nH+]cn21 ZINC001725567861 1426228759 /nfs/dbraw/zinc/22/87/59/1426228759.db2.gz VCWDXPYINGEPOV-APWZRJJASA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]C/C=C\c2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001725574223 1426231870 /nfs/dbraw/zinc/23/18/70/1426231870.db2.gz JGGYKCISCZWLPS-HCFXTEOXSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001725605636 1426262190 /nfs/dbraw/zinc/26/21/90/1426262190.db2.gz KUOCYLADKPWICV-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001725623010 1426288977 /nfs/dbraw/zinc/28/89/77/1426288977.db2.gz LHAGFAGNENTSMM-GUDVDZBRSA-N 2 0 349.563 3.147 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001725655394 1426338229 /nfs/dbraw/zinc/33/82/29/1426338229.db2.gz KTFALYMVNWRHKZ-UXHICEINSA-N 2 0 347.547 3.237 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001725666423 1426349060 /nfs/dbraw/zinc/34/90/60/1426349060.db2.gz QRHWDRPBZGXUTR-DUMMIQTOSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001725667349 1426350464 /nfs/dbraw/zinc/35/04/64/1426350464.db2.gz DXUYQUDSEWYNTC-MSOLQXFVSA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1(C)C ZINC001725669154 1426352923 /nfs/dbraw/zinc/35/29/23/1426352923.db2.gz IMLYIYAOUVFIDW-ZEVQVBBLSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCC3CC3)C(C)(C)C2)CCCCC1 ZINC001725673344 1426357136 /nfs/dbraw/zinc/35/71/36/1426357136.db2.gz IWBRNJHALORTNA-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCC(=O)N1C[C@H]([NH2+]CC2CCC2)C(C)(C)C1)C1CCCCC1 ZINC001725673722 1426358229 /nfs/dbraw/zinc/35/82/29/1426358229.db2.gz LCRWPBSQYFHLDF-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001725746150 1426424340 /nfs/dbraw/zinc/42/43/40/1426424340.db2.gz NFLSSMVXRPCKNV-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001725763294 1426445086 /nfs/dbraw/zinc/44/50/86/1426445086.db2.gz QDSNCIAFNMINBE-PYTPGESOSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CCC[NH+]1CCC(C2(NC(=O)C3CC[NH+](C)CC3)CC2)CC1 ZINC001725795483 1426480951 /nfs/dbraw/zinc/48/09/51/1426480951.db2.gz XFAPQNJPVRFNTB-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001731298785 1427241001 /nfs/dbraw/zinc/24/10/01/1427241001.db2.gz ZNPPBYFHHUBCSM-ICSRJNTNSA-N 2 0 345.531 3.194 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)CCc2c[nH]cn2)CC1 ZINC001731376092 1427309844 /nfs/dbraw/zinc/30/98/44/1427309844.db2.gz ATZSCMXTMIGFEH-XDXAGZTOSA-N 2 0 344.503 3.059 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@H+]2CCC)CC1 ZINC001731377921 1427312750 /nfs/dbraw/zinc/31/27/50/1427312750.db2.gz OJUJXEJVBGEXPU-WLMAVBAVSA-N 2 0 347.547 3.188 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001731387575 1427335658 /nfs/dbraw/zinc/33/56/58/1427335658.db2.gz QMZHJCPPNTZYSW-SFHVURJKSA-N 2 0 345.531 3.402 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731670096 1427719964 /nfs/dbraw/zinc/71/99/64/1427719964.db2.gz BZMMCJAORVRCLM-IPLHWJFFSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H](C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001731679645 1427727908 /nfs/dbraw/zinc/72/79/08/1427727908.db2.gz MTAWPLXJYFSHKD-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]([N@H+](C)CCC3CCCCC3)C2)CC1 ZINC001731716383 1427780206 /nfs/dbraw/zinc/78/02/06/1427780206.db2.gz UFXMVPLNNAXPDN-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001731721286 1427791191 /nfs/dbraw/zinc/79/11/91/1427791191.db2.gz XFBWONJIGHBCPH-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001731725185 1427798183 /nfs/dbraw/zinc/79/81/83/1427798183.db2.gz KNBCFDSXXSIJGQ-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)c1ccccc1C[NH+]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001731861013 1428099947 /nfs/dbraw/zinc/09/99/47/1428099947.db2.gz PXZOVEIMAKJWAZ-GOSISDBHSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001731960524 1428184853 /nfs/dbraw/zinc/18/48/53/1428184853.db2.gz BYYLGQZVZJUWJN-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001731985736 1428196851 /nfs/dbraw/zinc/19/68/51/1428196851.db2.gz DGBKIMVHEWUMSW-ROUUACIJSA-N 2 0 345.531 3.231 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCC1=CCCCC1 ZINC001733603343 1429810907 /nfs/dbraw/zinc/81/09/07/1429810907.db2.gz SYSZIEAEBJVVDX-WOJBJXKFSA-N 2 0 347.547 3.284 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001733678858 1429879779 /nfs/dbraw/zinc/87/97/79/1429879779.db2.gz SWYOLVUXOVKIBV-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001733688705 1429904982 /nfs/dbraw/zinc/90/49/82/1429904982.db2.gz RJHCHAHGGGXESO-IYARVYRRSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)c1 ZINC001733690265 1429906746 /nfs/dbraw/zinc/90/67/46/1429906746.db2.gz ZXWVISFYTNLXCD-QWFCFKBJSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001733691507 1429908093 /nfs/dbraw/zinc/90/80/93/1429908093.db2.gz INXMUPDMWYHYQL-MXVIHJGJSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001733783054 1430050737 /nfs/dbraw/zinc/05/07/37/1430050737.db2.gz VQOFPEMPROHPAA-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001733803369 1430071450 /nfs/dbraw/zinc/07/14/50/1430071450.db2.gz UOCHMZNDAHKAEU-FAPWYTRCSA-N 2 0 349.563 3.434 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001733809563 1430084711 /nfs/dbraw/zinc/08/47/11/1430084711.db2.gz NBZIAMMYLRCSCZ-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001733846528 1430114805 /nfs/dbraw/zinc/11/48/05/1430114805.db2.gz JFZRYLFLUKOKMM-OXUXSNCKSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733919979 1437733786 /nfs/dbraw/zinc/73/37/86/1437733786.db2.gz QJRQWYFGTWXZSP-SREVYHEPSA-N 2 0 349.563 3.245 10 0 EGAERP CCCc1ccc(C[N@H+](C)C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001733935669 1437749651 /nfs/dbraw/zinc/74/96/51/1437749651.db2.gz LSKBUGJQVVWLMK-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CC2CCCCC2)C1)CC(C)(C)C ZINC001733953654 1437763248 /nfs/dbraw/zinc/76/32/48/1437763248.db2.gz RURFNVXAMOHGGE-UHFFFAOYSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@@H]1CCc2ccccc21)[NH+](C)C ZINC001734021162 1437810235 /nfs/dbraw/zinc/81/02/35/1437810235.db2.gz ZNMWNZXPHJJZFR-RTBURBONSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1cccc(F)c1 ZINC001734057436 1437848895 /nfs/dbraw/zinc/84/88/95/1437848895.db2.gz GPHLZMLTUMRZEM-LPHOPBHVSA-N 2 0 349.494 3.025 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734124726 1437903906 /nfs/dbraw/zinc/90/39/06/1437903906.db2.gz XOCUUFUJKKXJPJ-DKRLNXSXSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+]([C@@H](C)c2ccccc2)CC1(C)C ZINC001734155157 1437921620 /nfs/dbraw/zinc/92/16/20/1437921620.db2.gz PNIIRNVUHQNJPP-PKOBYXMFSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001734253267 1437968340 /nfs/dbraw/zinc/96/83/40/1437968340.db2.gz URMKYPZWNWYNPK-MJGOQNOKSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCC[C@@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001734258365 1437974093 /nfs/dbraw/zinc/97/40/93/1437974093.db2.gz CYTDAIHCNLNLHC-RTBURBONSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001734308887 1438040300 /nfs/dbraw/zinc/04/03/00/1438040300.db2.gz OQKIWGCCCOJONX-PMACEKPBSA-N 2 0 349.563 3.290 10 0 EGAERP Cc1c(C(=O)N(C)C[C@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001734330751 1438054487 /nfs/dbraw/zinc/05/44/87/1438054487.db2.gz HSZZFCDSLJHSRX-AWEZNQCLSA-N 2 0 330.476 3.129 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001734332172 1438055561 /nfs/dbraw/zinc/05/55/61/1438055561.db2.gz RVBHFOMTOQIXKL-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP CCCc1ccc(C[NH2+][C@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001734425568 1438091518 /nfs/dbraw/zinc/09/15/18/1438091518.db2.gz BYEQWPXZIGCYKI-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C3CCC3)C[C@@H]21 ZINC001734441366 1438103436 /nfs/dbraw/zinc/10/34/36/1438103436.db2.gz CKMULXSZKNZUMM-YZGWKJHDSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1=CCCCC1)CC2 ZINC001734441664 1438103445 /nfs/dbraw/zinc/10/34/45/1438103445.db2.gz HIAWMJLNFHATKK-CTNGQTDRSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c1 ZINC001734456897 1438114462 /nfs/dbraw/zinc/11/44/62/1438114462.db2.gz JEIWZYVNOMPFSA-ICSRJNTNSA-N 2 0 345.531 3.113 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001734489855 1438130052 /nfs/dbraw/zinc/13/00/52/1438130052.db2.gz XVQNCBSEKBTPMQ-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)CC1(C)C ZINC001734498001 1438133425 /nfs/dbraw/zinc/13/34/25/1438133425.db2.gz GUJQGHOOBWAWLA-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]([NH2+]CC2CCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001734499246 1438134083 /nfs/dbraw/zinc/13/40/83/1438134083.db2.gz CIGMVBVVDUSEAU-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1(C)C ZINC001734502924 1438135791 /nfs/dbraw/zinc/13/57/91/1438135791.db2.gz QCXYINNBOAVDIB-APWZRJJASA-N 2 0 345.531 3.235 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001734554633 1438153683 /nfs/dbraw/zinc/15/36/83/1438153683.db2.gz PEMBZAFDXZLDET-GOSISDBHSA-N 2 0 343.515 3.012 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@H](C)c2ccccc2C)CC1 ZINC001734635110 1438195234 /nfs/dbraw/zinc/19/52/34/1438195234.db2.gz AVOSPLXLXOEPNG-GOSISDBHSA-N 2 0 343.515 3.146 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001750945479 1440118114 /nfs/dbraw/zinc/11/81/14/1440118114.db2.gz URZSHFDUMSOSBO-XRZRDHLVSA-N 2 0 337.552 3.290 10 0 EGAERP CC[C@H]([NH3+])[C@H](c1cc(Br)cs1)N(C)CCC[NH+](C)C ZINC000104199366 219360036 /nfs/dbraw/zinc/36/00/36/219360036.db2.gz BGQHIINEBBFIED-GXTWGEPZSA-N 2 0 348.354 3.173 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000358372730 283140597 /nfs/dbraw/zinc/14/05/97/283140597.db2.gz XAMRMSZOPLRPDU-XWSJACJDSA-N 2 0 333.907 3.302 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH3+])C(C)(C)C2)cc1 ZINC000262018764 283188197 /nfs/dbraw/zinc/18/81/97/283188197.db2.gz OQWMQNSYWXISGD-SFHVURJKSA-N 2 0 331.504 3.118 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCCOC(C)C)CC1 ZINC000343077188 283350193 /nfs/dbraw/zinc/35/01/93/283350193.db2.gz HLISQRTWGFFTPI-UHFFFAOYSA-N 2 0 333.520 3.123 10 0 EGAERP Cc1cc(C)c2[nH]c(=O)c(C[N@H+]3CCC[C@H]([NH+](C)C)CC3)cc2c1 ZINC000072134480 216023241 /nfs/dbraw/zinc/02/32/41/216023241.db2.gz XBMCYHXVWAIKGB-SFHVURJKSA-N 2 0 327.472 3.061 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(F)c1 ZINC000174252871 296118686 /nfs/dbraw/zinc/11/86/86/296118686.db2.gz HNYIBFFQRVZICF-QGZVFWFLSA-N 2 0 333.495 3.427 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC(F)F)c2)[C@H](C)C1 ZINC000093639165 218236225 /nfs/dbraw/zinc/23/62/25/218236225.db2.gz QVIQNLLEUNITGV-UKRRQHHQSA-N 2 0 342.430 3.459 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cccc(OCCCOC)c2)[C@H](C)C1 ZINC000093639765 218237097 /nfs/dbraw/zinc/23/70/97/218237097.db2.gz IJUCOTPTYZIGLZ-XLIONFOSSA-N 2 0 334.504 3.264 10 0 EGAERP C[NH+](C)C1(CNC2CC[NH+](CCc3ccccc3)CC2)CCCC1 ZINC000268710945 252161183 /nfs/dbraw/zinc/16/11/83/252161183.db2.gz DTWDUQHETMFSIC-UHFFFAOYSA-N 2 0 329.532 3.158 10 0 EGAERP CCC[N@@H+]1CC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268878497 252326705 /nfs/dbraw/zinc/32/67/05/252326705.db2.gz WZWKNYLINOADDZ-TYPHKJRUSA-N 2 0 329.532 3.219 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000346443608 141195555 /nfs/dbraw/zinc/19/55/55/141195555.db2.gz JNTVDDQKYPECJC-CYJAXWMASA-N 2 0 349.544 3.120 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(Cc3ccc(F)cc3)CC2)[C@H]2CCC[C@H]21 ZINC000353444512 141297202 /nfs/dbraw/zinc/29/72/02/141297202.db2.gz VQROWDFWSDOJOR-QHAWAJNXSA-N 2 0 345.506 3.253 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(-c2nc(Cc3cncn3C)no2)cc1 ZINC000357969972 141370858 /nfs/dbraw/zinc/37/08/58/141370858.db2.gz FIMZSZXDHPTJNW-UHFFFAOYSA-N 2 0 339.443 3.293 10 0 EGAERP COC[C@H]([NH2+]C[C@@H]1CCCCN1Cc1ccccc1)C1CCOCC1 ZINC000187891928 144166063 /nfs/dbraw/zinc/16/60/63/144166063.db2.gz JANFSWHITRFNQT-SFTDATJTSA-N 2 0 346.515 3.072 10 0 EGAERP Cc1c(F)cccc1-c1ccc(CNC2(CCO)CC[NH+](C)CC2)o1 ZINC000351502163 144270777 /nfs/dbraw/zinc/27/07/77/144270777.db2.gz KKBNIBBBRSMLIV-UHFFFAOYSA-N 2 0 346.446 3.331 10 0 EGAERP CC(C)COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1 ZINC000121101514 152325587 /nfs/dbraw/zinc/32/55/87/152325587.db2.gz FODVCNXFRGYHLT-GOSISDBHSA-N 2 0 348.531 3.246 10 0 EGAERP Cc1nc([C@H]2CCC[N@H+]2CCCN2CC[NH+](C(C)C)CC2)cs1 ZINC000192832551 153261943 /nfs/dbraw/zinc/26/19/43/153261943.db2.gz GYYAZSZBQYIMOC-GOSISDBHSA-N 2 0 336.549 3.005 10 0 EGAERP Cc1nc2ccc(C[N@@H+](C)CCN(C)C3CC[NH+](C)CC3)cc2s1 ZINC000349059507 156336681 /nfs/dbraw/zinc/33/66/81/156336681.db2.gz CIJRTRAXNIKVML-UHFFFAOYSA-N 2 0 346.544 3.063 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@H]2[C@@H]2CCOC2)cc1 ZINC000372765977 157378583 /nfs/dbraw/zinc/37/85/83/157378583.db2.gz KGQGDRFAPFSQMG-HLAWJBBLSA-N 2 0 346.515 3.312 10 0 EGAERP COc1ncc(C[NH+]2CCC(CC[N@@H+]3CCCC[C@@H]3C)CC2)c(C)n1 ZINC000337164623 163149271 /nfs/dbraw/zinc/14/92/71/163149271.db2.gz XZGGJOYTWYFIGR-INIZCTEOSA-N 2 0 346.519 3.270 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@@H]1CCCO1 ZINC000343888680 164058658 /nfs/dbraw/zinc/05/86/58/164058658.db2.gz DUSUFDZEESQEQF-KRWDZBQOSA-N 2 0 340.895 3.329 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)[NH2+][C@H](C)c1ccccc1 ZINC000344599334 164197037 /nfs/dbraw/zinc/19/70/37/164197037.db2.gz DVAPFINDMOUBJE-SJLPKXTDSA-N 2 0 331.504 3.106 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(OC2CCCC2)CC1 ZINC000346169277 164355903 /nfs/dbraw/zinc/35/59/03/164355903.db2.gz IUPASCARPDAYNO-UHFFFAOYSA-N 2 0 340.471 3.499 10 0 EGAERP CC[N@H+](CCc1nccs1)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346184763 164359337 /nfs/dbraw/zinc/35/93/37/164359337.db2.gz XLKPPWQNDZQYJF-UHFFFAOYSA-N 2 0 327.457 3.097 10 0 EGAERP OC[C@@H](CC1CCC1)[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000355535876 166234706 /nfs/dbraw/zinc/23/47/06/166234706.db2.gz QHICJMDTZYIVAE-VKEMMKHGSA-N 2 0 328.500 3.323 10 0 EGAERP COc1cc2c(NC[C@H](C(C)C)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000359440775 167157872 /nfs/dbraw/zinc/15/78/72/167157872.db2.gz RWTMRHORDCSDBA-GOSISDBHSA-N 2 0 347.434 3.151 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000359484427 167168454 /nfs/dbraw/zinc/16/84/54/167168454.db2.gz PHSZXSUOMUAUCD-CQSZACIVSA-N 2 0 329.419 3.447 10 0 EGAERP COc1cc2c(NC3CC[NH+]([C@H]4CCOC4)CC3)cc[nH+]c2cc1F ZINC000366434500 168120834 /nfs/dbraw/zinc/12/08/34/168120834.db2.gz USBLQCSJMYHAPF-AWEZNQCLSA-N 2 0 345.418 3.048 10 0 EGAERP C[C@@H]1C[C@@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+]1C ZINC000123453206 222279320 /nfs/dbraw/zinc/27/93/20/222279320.db2.gz IDFCSUIWQLAFCQ-CABCVRRESA-N 2 0 343.471 3.049 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179515729 265382212 /nfs/dbraw/zinc/38/22/12/265382212.db2.gz WIFGPXDORMBWJM-CWDCEQMOSA-N 2 0 336.907 3.378 10 0 EGAERP Cc1nc(F)ccc1CN(C)C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000278510841 268028951 /nfs/dbraw/zinc/02/89/51/268028951.db2.gz WSIGHISQERGMIX-GOSISDBHSA-N 2 0 327.447 3.483 10 0 EGAERP Cc1ccc(OCCC[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)cc1C ZINC000106124878 275167927 /nfs/dbraw/zinc/16/79/27/275167927.db2.gz SULHCGOLDFIKOY-LJQANCHMSA-N 2 0 348.531 3.097 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496609 275640370 /nfs/dbraw/zinc/64/03/70/275640370.db2.gz RLPLHERXDRBMFD-KXBFYZLASA-N 2 0 342.487 3.089 10 0 EGAERP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@@H]1CCCCO1 ZINC000346149411 276002926 /nfs/dbraw/zinc/00/29/26/276002926.db2.gz WYUVVFXSLUYBJY-IBGZPJMESA-N 2 0 328.460 3.357 10 0 EGAERP COc1ccc([C@H](C)[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1O ZINC000289523253 276352520 /nfs/dbraw/zinc/35/25/20/276352520.db2.gz AURUSEXAOCNXQN-ZDUSSCGKSA-N 2 0 332.419 3.452 10 0 EGAERP Cc1cc(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)cc(C)c1O ZINC000290530379 276507731 /nfs/dbraw/zinc/50/77/31/276507731.db2.gz YCIOQHHTTIMVSR-UHFFFAOYSA-N 2 0 325.456 3.410 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2ccccc2OCC2CC2)C[C@H](C)O1 ZINC000067452569 307365637 /nfs/dbraw/zinc/36/56/37/307365637.db2.gz JSPMHFYBPOTZOQ-HDICACEKSA-N 2 0 346.515 3.454 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(OCC[NH+](C)C)cc1 ZINC000414198894 309066448 /nfs/dbraw/zinc/06/64/48/309066448.db2.gz YLKLDSBZMYPCTO-INIZCTEOSA-N 3 0 338.455 3.126 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000292846709 308072033 /nfs/dbraw/zinc/07/20/33/308072033.db2.gz QXXKYXLBHOPWHD-LJQANCHMSA-N 2 0 329.419 3.305 10 0 EGAERP C[C@@H]1C[C@@H](C[NH+]2CCC(CN3CCc4ccccc43)CC2)CC[NH2+]1 ZINC000414687397 309095558 /nfs/dbraw/zinc/09/55/58/309095558.db2.gz HGCPWGRBPKIDIK-MJGOQNOKSA-N 2 0 327.516 3.149 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(F)c1)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000414810830 309102996 /nfs/dbraw/zinc/10/29/96/309102996.db2.gz OPHGQYMNVDWEOZ-KGLIPLIRSA-N 2 0 329.419 3.352 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000414821663 309103719 /nfs/dbraw/zinc/10/37/19/309103719.db2.gz BJPWGLQOFKOUEV-FMVWZJFZSA-N 2 0 341.268 3.392 10 0 EGAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824603 309103988 /nfs/dbraw/zinc/10/39/88/309103988.db2.gz AZIKMNCXWNKGEB-RYUDHWBXSA-N 2 0 329.257 3.108 10 0 EGAERP Cc1cccc2c(NCc3ccnc(OCC[NH+](C)C)c3)cc[nH+]c12 ZINC000301896204 308720479 /nfs/dbraw/zinc/72/04/79/308720479.db2.gz UKWNVGMKQKDHLG-UHFFFAOYSA-N 2 0 336.439 3.491 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@H]1CCC[NH2+]C1 ZINC000414865217 309106307 /nfs/dbraw/zinc/10/63/07/309106307.db2.gz ZCMQZKPRDJGKJT-VXGBXAGGSA-N 2 0 329.257 3.108 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414930378 309109841 /nfs/dbraw/zinc/10/98/41/309109841.db2.gz ASPVKCAODISQOH-HFAKWTLXSA-N 2 0 329.257 3.107 10 0 EGAERP Cc1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053311 309116696 /nfs/dbraw/zinc/11/66/96/309116696.db2.gz MMHUSZKTJPCGRD-QZNJRLLKSA-N 2 0 341.543 3.437 10 0 EGAERP C[C@@H]1CN(Cc2csc(COc3ccccc3)n2)C[C@@]1(C)C[NH3+] ZINC000415059159 309117447 /nfs/dbraw/zinc/11/74/47/309117447.db2.gz XCTJQMTUOSURGD-RDTXWAMCSA-N 2 0 331.485 3.139 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+]C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000415114884 309121287 /nfs/dbraw/zinc/12/12/87/309121287.db2.gz GJUSXBVRUSOKKI-IRXDYDNUSA-N 2 0 326.488 3.473 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000415940016 309150219 /nfs/dbraw/zinc/15/02/19/309150219.db2.gz DDSYRQWSOMUYLC-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC1CC[NH+](CC)CC1 ZINC000415939956 309150250 /nfs/dbraw/zinc/15/02/50/309150250.db2.gz CGGLGPLCYRTBSJ-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@@H](C)C2)cc1 ZINC000417240923 309198662 /nfs/dbraw/zinc/19/86/62/309198662.db2.gz QNXHMLPOWWJSEO-CVEARBPZSA-N 2 0 346.519 3.016 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000417557417 309211000 /nfs/dbraw/zinc/21/10/00/309211000.db2.gz RKBXGXLQRZKHFB-APWZRJJASA-N 2 0 346.519 3.160 10 0 EGAERP CCC(CC)(CNC(=O)N1CC[C@H]([NH3+])[C@@H]1C)[NH2+][C@@H](C)c1ccccc1 ZINC000417712399 309219281 /nfs/dbraw/zinc/21/92/81/309219281.db2.gz WWLSBOPRUNFMAN-BQFCYCMXSA-N 2 0 346.519 3.027 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@]1(CO)C[C@H](C)CC(C)(C)C1 ZINC000421342669 309319295 /nfs/dbraw/zinc/31/92/95/309319295.db2.gz OIGLJXZRZHDOQU-FOIQADDNSA-N 2 0 342.487 3.243 10 0 EGAERP COc1ccc([C@H](NC[C@@H](C)C[NH+]2CCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422709357 309364194 /nfs/dbraw/zinc/36/41/94/309364194.db2.gz KLQVDWFVFLGPTD-UIFIKXQLSA-N 2 0 345.531 3.200 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]C[C@@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422771128 309367575 /nfs/dbraw/zinc/36/75/75/309367575.db2.gz VKXGIECCNVCHBF-IAGOWNOFSA-N 2 0 332.488 3.010 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2cccc(OC)c2)cc1 ZINC000422779558 309367888 /nfs/dbraw/zinc/36/78/88/309367888.db2.gz CBTKDOMCUAXPQV-IBGZPJMESA-N 2 0 328.456 3.206 10 0 EGAERP CCN(CC)[C@H](C[NH2+]C1CCC(C[NH3+])CC1)c1cccc(OC)c1 ZINC000422795816 309368933 /nfs/dbraw/zinc/36/89/33/309368933.db2.gz IDMOXWLNQSJOEY-OUNSHVDWSA-N 2 0 333.520 3.185 10 0 EGAERP C[C@@H](NC[C@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833446 309370896 /nfs/dbraw/zinc/37/08/96/309370896.db2.gz GWTXBPQLARHAGI-HUUCEWRRSA-N 2 0 330.501 3.118 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@H](C)c1c[nH+]ccc1N)Cc1ccccc1 ZINC000422835676 309371219 /nfs/dbraw/zinc/37/12/19/309371219.db2.gz PYTIKSRGBVNNCB-AEFFLSMTSA-N 2 0 326.488 3.098 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@@H](C)C[C@@H]2CCCCC[NH2+]2)C1 ZINC000422871922 309373062 /nfs/dbraw/zinc/37/30/62/309373062.db2.gz DXKLWOUAZVJTCN-BZSNNMDCSA-N 2 0 331.504 3.174 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1CN[C@H](C)c1c[nH+]ccc1N ZINC000422889103 309374422 /nfs/dbraw/zinc/37/44/22/309374422.db2.gz FDILPIPIUAQTLF-MRXNPFEDSA-N 2 0 342.487 3.066 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@H]2CCCC[C@@H]2C[NH3+])CCOCC1 ZINC000422897395 309374894 /nfs/dbraw/zinc/37/48/94/309374894.db2.gz JKTJLXODVYMXQH-MJGOQNOKSA-N 2 0 346.515 3.159 10 0 EGAERP CC[C@@H](Cc1ccccc1Br)[NH2+][C@@H](CCC[NH3+])COC ZINC000422928613 309376693 /nfs/dbraw/zinc/37/66/93/309376693.db2.gz LRMCREHEBUUDTA-GJZGRUSLSA-N 2 0 343.309 3.114 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937826 309377077 /nfs/dbraw/zinc/37/70/77/309377077.db2.gz OZTAROYVXYSVKD-CTNGQTDRSA-N 2 0 342.483 3.437 10 0 EGAERP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1OC ZINC000422945327 309377535 /nfs/dbraw/zinc/37/75/35/309377535.db2.gz UCNAORHEWKJWTD-LMCOJAPRSA-N 2 0 344.499 3.426 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccnc(OC2CCCC2)c1 ZINC000422962663 309378534 /nfs/dbraw/zinc/37/85/34/309378534.db2.gz GGUOCVRYRDRXGN-AWEZNQCLSA-N 2 0 340.471 3.416 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422972908 309378999 /nfs/dbraw/zinc/37/89/99/309378999.db2.gz AWTHRVZFZJZNQZ-IHPCNDPISA-N 2 0 332.488 3.019 10 0 EGAERP COc1ccc([C@@H](NCC2(C[NH+](C)C)CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423041885 309382626 /nfs/dbraw/zinc/38/26/26/309382626.db2.gz XZYIKPOZANYAHI-WOJBJXKFSA-N 2 0 345.531 3.200 10 0 EGAERP CCC[N@H+](CC)C[C@H](C)N[C@H](c1ccc(OC)cc1)[C@H]1CCC[NH2+]1 ZINC000423143596 309388123 /nfs/dbraw/zinc/38/81/23/309388123.db2.gz XLXWJPKMJPTISV-PWIZWCRZSA-N 2 0 333.520 3.198 10 0 EGAERP C[C@@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423196558 309390077 /nfs/dbraw/zinc/39/00/77/309390077.db2.gz VOKJAMCOPSCAPM-MRVPVSSYSA-N 2 0 325.172 3.467 10 0 EGAERP COCCOc1ccc([C@H](C)[NH2+]C[C@H](N)c2ccccc2)cc1OC ZINC000423233008 309391711 /nfs/dbraw/zinc/39/17/11/309391711.db2.gz DBRYLUWZLYKXLQ-YJBOKZPZSA-N 2 0 344.455 3.071 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257006 309392633 /nfs/dbraw/zinc/39/26/33/309392633.db2.gz HAKVZLFVUWGHDY-ZFWWWQNUSA-N 2 0 347.894 3.269 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423273765 309393540 /nfs/dbraw/zinc/39/35/40/309393540.db2.gz JIETVGHJNYTDBY-SLYNCCJLSA-N 2 0 329.532 3.189 10 0 EGAERP NC1(C[NH2+][C@H]2CC[C@H]2C2CCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000423518958 309404286 /nfs/dbraw/zinc/40/42/86/309404286.db2.gz CVOCRPNTHMLEAK-PMACEKPBSA-N 2 0 327.516 3.148 10 0 EGAERP COc1ccccc1-n1nccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000430035361 309595278 /nfs/dbraw/zinc/59/52/78/309595278.db2.gz WNOYBXVRRXUOJG-UHFFFAOYSA-N 2 0 342.487 3.091 10 0 EGAERP CC(C)[N@H+](C)CCCNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449072135 310034758 /nfs/dbraw/zinc/03/47/58/310034758.db2.gz JPMJJOFQWKOAHQ-IBGZPJMESA-N 2 0 331.548 3.402 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000449147862 310040303 /nfs/dbraw/zinc/04/03/03/310040303.db2.gz IHQRQUGGNUFSII-XLIONFOSSA-N 2 0 332.532 3.469 10 0 EGAERP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449154062 310040736 /nfs/dbraw/zinc/04/07/36/310040736.db2.gz GZWSREFFKVGDHN-UWJYYQICSA-N 2 0 332.532 3.469 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2cnn(-c3ccc(OC)cc3)c2)CC1 ZINC000449165594 310041659 /nfs/dbraw/zinc/04/16/59/310041659.db2.gz AHUZBVYLDYBWPJ-UHFFFAOYSA-N 2 0 342.487 3.093 10 0 EGAERP COCCC1(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000449197728 310043894 /nfs/dbraw/zinc/04/38/94/310043894.db2.gz XIHPMUABFHFCGQ-SFHVURJKSA-N 2 0 330.516 3.488 10 0 EGAERP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449200407 310044044 /nfs/dbraw/zinc/04/40/44/310044044.db2.gz DUELKMWKMREEQU-HFSMHLIXSA-N 2 0 330.516 3.487 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccn(CCc3ccccc3)n2)[C@H](C)C1 ZINC000450561319 310130210 /nfs/dbraw/zinc/13/02/10/310130210.db2.gz HCICJNDNRWZBEG-WIYYLYMNSA-N 2 0 340.515 3.288 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@@H](C(C)C)C2)[C@H](C)C1 ZINC000453325045 310271020 /nfs/dbraw/zinc/27/10/20/310271020.db2.gz WKSTVZOWOHHXNU-YSTOQKLRSA-N 2 0 340.552 3.164 10 0 EGAERP C[C@H]1CN(c2ccccc2C[NH2+]C2CCC(C[NH+](C)C)CC2)CCO1 ZINC000459451643 310553718 /nfs/dbraw/zinc/55/37/18/310553718.db2.gz QGUBEBYWQDNJTO-ZJRDLVKKSA-N 2 0 345.531 3.122 10 0 EGAERP CCCCN(CCCC)C(=O)C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000488343419 311061538 /nfs/dbraw/zinc/06/15/38/311061538.db2.gz KLYCKPGVSBMZOK-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cccnc2C)CC1 ZINC000527792746 312941577 /nfs/dbraw/zinc/94/15/77/312941577.db2.gz DQUPLSFVEBXHOD-UHFFFAOYSA-N 2 0 338.499 3.212 10 0 EGAERP C[C@H]([NH2+]CCc1ccc(OCC[NH+](C)C)cc1)C1CC(F)(F)C1 ZINC000529537556 313349357 /nfs/dbraw/zinc/34/93/57/313349357.db2.gz FTUVAYQPDUZVIS-AWEZNQCLSA-N 2 0 326.431 3.193 10 0 EGAERP [NH3+]C[C@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530225470 313501130 /nfs/dbraw/zinc/50/11/30/313501130.db2.gz ZXEZFMYVRZDZML-YMTOWFKASA-N 2 0 333.220 3.334 10 0 EGAERP Cc1cccc(C)c1OCCC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530238721 313503498 /nfs/dbraw/zinc/50/34/98/313503498.db2.gz BFZIMQOXVFIRBI-HXUWFJFHSA-N 2 0 346.515 3.163 10 0 EGAERP Cc1ccc(OCCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1C ZINC000530239896 313503871 /nfs/dbraw/zinc/50/38/71/313503871.db2.gz IGWCSOIRAHHKAW-NRFANRHFSA-N 2 0 346.515 3.163 10 0 EGAERP CC(C)c1ccc(CC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247966 313505597 /nfs/dbraw/zinc/50/55/97/313505597.db2.gz FLLJPZQQWGGDRT-OAQYLSRUSA-N 2 0 330.516 3.443 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535777862 314073360 /nfs/dbraw/zinc/07/33/60/314073360.db2.gz ZSNGISCTBSTNQE-CQSZACIVSA-N 2 0 327.875 3.157 10 0 EGAERP Cc1cc([C@@H]([NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000538099439 314226995 /nfs/dbraw/zinc/22/69/95/314226995.db2.gz YYKBKTGTMYYLHU-QRWLVFNGSA-N 2 0 333.495 3.058 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CC(=O)NC2CCCCC2)CC1)CC1CC1 ZINC000538949617 314286714 /nfs/dbraw/zinc/28/67/14/314286714.db2.gz SBQDEEQXEFULPL-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cc([C@@H]([NH2+]CC2CC[NH+](CCN(C)C)CC2)C2CC2)ccc1F ZINC000540302268 314373188 /nfs/dbraw/zinc/37/31/88/314373188.db2.gz PLANKFUASITQEL-NRFANRHFSA-N 2 0 347.522 3.448 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000552899101 315237148 /nfs/dbraw/zinc/23/71/48/315237148.db2.gz LPVBNOHUJIXQIB-KURKYZTESA-N 2 0 334.504 3.105 10 0 EGAERP CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000564959588 316236746 /nfs/dbraw/zinc/23/67/46/316236746.db2.gz CWGFRVZHJSEMAP-YQVWRLOYSA-N 2 0 343.515 3.076 10 0 EGAERP c1cc2c(cc1CN1CCC[C@H](C[NH+]3CCCCCC3)C1)C[NH2+]CC2 ZINC000565094442 316264136 /nfs/dbraw/zinc/26/41/36/316264136.db2.gz ZOVZZGJPFCLHJM-HXUWFJFHSA-N 3 0 341.543 3.420 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH+]2CCN(CC[NH+]3[C@@H](C)CC[C@@H]3C)CC2)C1 ZINC000565781734 316369118 /nfs/dbraw/zinc/36/91/18/316369118.db2.gz ZCOPKEGNBNOFPE-VMXMFDLUSA-N 2 0 333.564 3.469 10 0 EGAERP C[C@@H](O)[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1F ZINC000565896726 316385487 /nfs/dbraw/zinc/38/54/87/316385487.db2.gz UDBIFJKGISVWJP-WBMJQRKESA-N 2 0 348.384 3.254 10 0 EGAERP C[C@@H](O)[C@@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)c1ccccc1F ZINC000565896725 316385900 /nfs/dbraw/zinc/38/59/00/316385900.db2.gz UDBIFJKGISVWJP-MLGOLLRUSA-N 2 0 348.384 3.254 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](CCOc3ccccc3F)C2)[nH+]1 ZINC000171652812 323244261 /nfs/dbraw/zinc/24/42/61/323244261.db2.gz GFGZZDUFLBYCSG-MRXNPFEDSA-N 2 0 329.419 3.342 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H](c1ccccc1)[NH+](C)C ZINC000577527927 324823310 /nfs/dbraw/zinc/82/33/10/324823310.db2.gz SESIJWBWOLKXPQ-HKUYNNGSSA-N 2 0 345.531 3.306 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000578373068 324959834 /nfs/dbraw/zinc/95/98/34/324959834.db2.gz SOWCFEPRQXCXAY-VQIMIIECSA-N 2 0 349.563 3.195 10 0 EGAERP Cc1cnn(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000183149639 455238902 /nfs/dbraw/zinc/23/89/02/455238902.db2.gz COEHJCVXCRJKTG-QHAWAJNXSA-N 2 0 338.499 3.082 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440425 460551571 /nfs/dbraw/zinc/55/15/71/460551571.db2.gz VOIHYSBMAQDRJQ-HOJAQTOUSA-N 2 0 329.532 3.359 10 0 EGAERP Cc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(O[C@H]2CCOC2)c1 ZINC000623446614 460554551 /nfs/dbraw/zinc/55/45/51/460554551.db2.gz KWIXSXUHTAZACO-MSOLQXFVSA-N 2 0 332.488 3.125 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)CC1(C)C ZINC000623489447 460577558 /nfs/dbraw/zinc/57/75/58/460577558.db2.gz AFFGOPCTIGMKPJ-INIZCTEOSA-N 2 0 346.450 3.271 10 0 EGAERP CC(C)C[C@H](C)[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000090028799 454264379 /nfs/dbraw/zinc/26/43/79/454264379.db2.gz ZZBYPCZHYHZYNR-KRWDZBQOSA-N 2 0 331.504 3.036 10 0 EGAERP CCC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691622 454300435 /nfs/dbraw/zinc/30/04/35/454300435.db2.gz HBDPMVVCVFYKSL-ROUUACIJSA-N 2 0 345.531 3.455 10 0 EGAERP CC[C@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691611 454300742 /nfs/dbraw/zinc/30/07/42/454300742.db2.gz FWBUTXWMNVSQQM-IRXDYDNUSA-N 2 0 331.504 3.065 10 0 EGAERP Cc1ccc(C[N@@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)C(C)C)s1 ZINC000064515344 454488536 /nfs/dbraw/zinc/48/85/36/454488536.db2.gz DLTMGRUFXSJEQO-UHFFFAOYSA-N 2 0 349.544 3.010 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2ccc(F)cc2F)CC1 ZINC000105862667 454662119 /nfs/dbraw/zinc/66/21/19/454662119.db2.gz BHGSZMBMZPTHGS-KGLIPLIRSA-N 2 0 326.431 3.050 10 0 EGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635005966 460650618 /nfs/dbraw/zinc/65/06/18/460650618.db2.gz KKMDLXMWRARNSH-XUEUYAKLSA-N 2 0 349.478 3.431 10 0 EGAERP Cc1ccccc1[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000176680383 454770663 /nfs/dbraw/zinc/77/06/63/454770663.db2.gz JRKQRDATTLVJEV-JOCHJYFZSA-N 2 0 337.511 3.312 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000151272609 454962409 /nfs/dbraw/zinc/96/24/09/454962409.db2.gz NZGDQHCVXVHYGD-IAGOWNOFSA-N 2 0 342.483 3.346 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccco1 ZINC000151929452 455050061 /nfs/dbraw/zinc/05/00/61/455050061.db2.gz CUSVKPCVTSSBKV-QFBILLFUSA-N 2 0 328.456 3.376 10 0 EGAERP Cn1cc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(-c2ccccc2)n1 ZINC000179685425 455066791 /nfs/dbraw/zinc/06/67/91/455066791.db2.gz NZKOVOXZQKUSLH-UHFFFAOYSA-N 2 0 338.499 3.395 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180015173 455116731 /nfs/dbraw/zinc/11/67/31/455116731.db2.gz ZLKZYDOIDMTWLT-IBGZPJMESA-N 2 0 335.923 3.408 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000180074559 455127549 /nfs/dbraw/zinc/12/75/49/455127549.db2.gz ITHDTXFZIPKZFJ-HXUWFJFHSA-N 2 0 329.532 3.066 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1Cc1c[nH]nc1-c1ccccc1F ZINC000180126996 455136541 /nfs/dbraw/zinc/13/65/41/455136541.db2.gz SJKVIKLKMBRHNG-INIZCTEOSA-N 2 0 339.418 3.385 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](COC)c2ccc(F)c(F)c2)CC1 ZINC000182830618 455173728 /nfs/dbraw/zinc/17/37/28/455173728.db2.gz ANXHGSAFLGNRMC-SFHVURJKSA-N 2 0 326.431 3.364 10 0 EGAERP C[C@H](CCc1cccc(F)c1)[NH+]1CCC(C[NH+]2CCOCC2)CC1 ZINC000183056758 455218031 /nfs/dbraw/zinc/21/80/31/455218031.db2.gz DSKCIOGCVBDKNT-QGZVFWFLSA-N 2 0 334.479 3.191 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245763538 455375343 /nfs/dbraw/zinc/37/53/43/455375343.db2.gz WASIGCXEHVAHAI-MXEMCNAFSA-N 2 0 327.516 3.113 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)[C@@H]2CCCO[C@H]21 ZINC000245850620 455385470 /nfs/dbraw/zinc/38/54/70/455385470.db2.gz GGFRYUYCONUYQQ-UWHLTILDSA-N 2 0 342.527 3.344 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@H](C)c2ccc(OC)cc2Br)C1 ZINC000245949467 455405526 /nfs/dbraw/zinc/40/55/26/455405526.db2.gz WFTZXKLGKHTELS-CHWSQXEVSA-N 2 0 341.293 3.450 10 0 EGAERP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2ccc(OC)cc2Br)C1 ZINC000245949471 455405227 /nfs/dbraw/zinc/40/52/27/455405227.db2.gz WFTZXKLGKHTELS-OLZOCXBDSA-N 2 0 341.293 3.450 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+]3CCCC3)cc2)[C@@H](C)C1 ZINC000265942542 455411007 /nfs/dbraw/zinc/41/10/07/455411007.db2.gz IHAMQOFAZAPRMQ-PXNSSMCTSA-N 2 0 343.515 3.085 10 0 EGAERP C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680190 455595851 /nfs/dbraw/zinc/59/58/51/455595851.db2.gz NCDKZMARODFGOF-KSMMKXTCSA-N 2 0 338.442 3.241 10 0 EGAERP Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@@H]2C)o1 ZINC000268973614 455750533 /nfs/dbraw/zinc/75/05/33/455750533.db2.gz ITFHEEHQQHFIFA-KFKAGJAMSA-N 2 0 328.456 3.122 10 0 EGAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@H]3CCCC[C@H]3[NH2+]2)c1 ZINC000262147194 456004571 /nfs/dbraw/zinc/00/45/71/456004571.db2.gz LBULNGSCOGPPQW-AQNXPRMDSA-N 2 0 343.515 3.065 10 0 EGAERP CC[C@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297383702 456205365 /nfs/dbraw/zinc/20/53/65/456205365.db2.gz ASXNXZBJHHTQPK-QGZVFWFLSA-N 2 0 339.439 3.462 10 0 EGAERP CCCc1cc(N2C[C@@H](C)[C@@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000301772576 456211100 /nfs/dbraw/zinc/21/11/00/456211100.db2.gz FCWCYTPDQTXOAC-IERDGZPVSA-N 2 0 339.483 3.344 10 0 EGAERP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@H](O)c1ccccc1 ZINC000290205478 456266245 /nfs/dbraw/zinc/26/62/45/456266245.db2.gz GZLCKWZSLLIXEQ-BBRMVZONSA-N 2 0 330.394 3.115 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000352821875 456335557 /nfs/dbraw/zinc/33/55/57/456335557.db2.gz BLEOZKOURKHEAG-APWZRJJASA-N 2 0 343.515 3.060 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337481976 456355965 /nfs/dbraw/zinc/35/59/65/456355965.db2.gz FGOIKSGCRMYDGU-MSOLQXFVSA-N 2 0 330.520 3.273 10 0 EGAERP Cc1cc2c(cc1C)[C@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000305156403 456531643 /nfs/dbraw/zinc/53/16/43/456531643.db2.gz VWLFNWNCQQHZCR-AZUAARDMSA-N 2 0 346.515 3.344 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccc2c(c1)OCCO2 ZINC000353383585 456663018 /nfs/dbraw/zinc/66/30/18/456663018.db2.gz GEOUEESTZMQPEY-XMTFNYHQSA-N 2 0 330.472 3.371 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)cc1OC ZINC000353494455 456713757 /nfs/dbraw/zinc/71/37/57/456713757.db2.gz CTEXHFGDJFMKMP-ZACQAIPSSA-N 2 0 348.487 3.065 10 0 EGAERP CCC[C@H](NC(=O)[C@H](C)N1CC[C@@]2(CC[N@H+](C)C2)C1)c1ccccc1 ZINC000292072468 456846895 /nfs/dbraw/zinc/84/68/95/456846895.db2.gz DSURQKCHDCKZRL-HFSMHLIXSA-N 2 0 343.515 3.060 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@@H]2CCCC[C@@H]21 ZINC000346169694 457021057 /nfs/dbraw/zinc/02/10/57/457021057.db2.gz MOLKUWNSUBDKJI-ZWKOTPCHSA-N 2 0 328.485 3.436 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000354404101 457201013 /nfs/dbraw/zinc/20/10/13/457201013.db2.gz MOLBXWIEYXOGTJ-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)c1 ZINC000391935527 457455417 /nfs/dbraw/zinc/45/54/17/457455417.db2.gz JYOSPPLSUAPOGJ-HUUCEWRRSA-N 2 0 346.500 3.195 10 0 EGAERP Cc1cc(F)ccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397506698 457489006 /nfs/dbraw/zinc/48/90/06/457489006.db2.gz GPFYPQWUUZOZQG-UHFFFAOYSA-N 2 0 342.458 3.251 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccs1 ZINC000397687437 457490549 /nfs/dbraw/zinc/49/05/49/457490549.db2.gz ONOUTTLZSLKISH-MRXNPFEDSA-N 2 0 330.497 3.426 10 0 EGAERP Cc1nc2ccccc2n1CCCCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425541193 457590625 /nfs/dbraw/zinc/59/06/25/457590625.db2.gz FZWUABMQRYZHFC-MRXNPFEDSA-N 2 0 338.459 3.123 10 0 EGAERP c1cn(-c2ccc(C[NH2+][C@H](c3ccccc3)[C@H]3CCOC3)cn2)cn1 ZINC000374494874 457640794 /nfs/dbraw/zinc/64/07/94/457640794.db2.gz GKJUREGMXCDEIR-AZUAARDMSA-N 2 0 334.423 3.135 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CO)CC2(CCC2)C1 ZINC000433057887 457655641 /nfs/dbraw/zinc/65/56/41/457655641.db2.gz NKCWTMQFWDNCCI-QUCCMNQESA-N 2 0 342.527 3.429 10 0 EGAERP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1 ZINC000375800882 458070919 /nfs/dbraw/zinc/07/09/19/458070919.db2.gz FNNUNNJIEDEXMO-IPMKNSEASA-N 2 0 329.488 3.244 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](C)(c3ccc(F)cc3)C2)CC1 ZINC000375954104 458137436 /nfs/dbraw/zinc/13/74/36/458137436.db2.gz LKWLGYWJJKRQIU-OAQYLSRUSA-N 2 0 347.522 3.205 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000376028056 458169212 /nfs/dbraw/zinc/16/92/12/458169212.db2.gz HQMFZTYXGOUKTP-ZLPCBKJTSA-N 2 0 345.487 3.019 10 0 EGAERP Cc1ccccc1C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)C1CC1 ZINC000423502443 458444523 /nfs/dbraw/zinc/44/45/23/458444523.db2.gz CPJFNBXGIMJCEN-LZBANZJXSA-N 2 0 341.543 3.122 10 0 EGAERP CC(C)[C@H](Cc1ccc(F)cc1)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519740 458450355 /nfs/dbraw/zinc/45/03/55/458450355.db2.gz QJYVTCCCPQAGQA-CBNMVNINSA-N 2 0 347.522 3.199 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@@H]3C1)CCC2 ZINC000423549060 458456459 /nfs/dbraw/zinc/45/64/59/458456459.db2.gz RRRXDBYBJWIQSX-DMVWFOPNSA-N 2 0 339.405 3.456 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]Cc3ccc(OCCC[NH+](C)C)cc3)C[C@H]2C1 ZINC000424272351 458600866 /nfs/dbraw/zinc/60/08/66/458600866.db2.gz QKRXSIBVYCIVCZ-BITOSCEUSA-N 2 0 346.515 3.310 10 0 EGAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[C@@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000431771344 458621422 /nfs/dbraw/zinc/62/14/22/458621422.db2.gz NSKYOSFMFIUICM-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CC2(C[N@@H+]1Cc1cnc(-c3ccncc3)s1)CC[NH2+]CC2 ZINC000424386935 458631376 /nfs/dbraw/zinc/63/13/76/458631376.db2.gz XUCSWPPXYZALLZ-CQSZACIVSA-N 2 0 328.485 3.169 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)Cc2ccc3ccccc3c2)[C@H](C)C1 ZINC000470774235 458648826 /nfs/dbraw/zinc/64/88/26/458648826.db2.gz RPGQSYFIIOSIHE-YHYVQYDKSA-N 2 0 340.511 3.405 10 0 EGAERP CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000462789070 458653341 /nfs/dbraw/zinc/65/33/41/458653341.db2.gz DJXWJSHTMBOSOK-INIZCTEOSA-N 2 0 330.472 3.216 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H](C)CCc1ccc(Cl)s1 ZINC000471595677 458701797 /nfs/dbraw/zinc/70/17/97/458701797.db2.gz UVDHMBFDVPXOFJ-LSDHHAIUSA-N 2 0 343.968 3.338 10 0 EGAERP Cc1cc(C)cc(OCCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)c1 ZINC000530242499 458728157 /nfs/dbraw/zinc/72/81/57/458728157.db2.gz UCROLNLJCBFYCC-FQEVSTJZSA-N 2 0 346.515 3.163 10 0 EGAERP Cn1cncc1CC[NH2+][C@H]1CCCOc2cc3c(cc21)CCCC3 ZINC000530354812 458753243 /nfs/dbraw/zinc/75/32/43/458753243.db2.gz IENIGXKSZUVNRT-IBGZPJMESA-N 2 0 325.456 3.345 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@@H]1C ZINC000494926068 458765822 /nfs/dbraw/zinc/76/58/22/458765822.db2.gz WCQIEVHBKZZSSF-SBHAEUEKSA-N 2 0 329.532 3.219 10 0 EGAERP CC1=CCN(CC[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158596 458847159 /nfs/dbraw/zinc/84/71/59/458847159.db2.gz QHBRFIOOOXUVID-PZJWPPBQSA-N 2 0 327.516 3.139 10 0 EGAERP C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H](c1ccccc1)[NH+](C)C ZINC000577527933 459047304 /nfs/dbraw/zinc/04/73/04/459047304.db2.gz SESIJWBWOLKXPQ-PKOBYXMFSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@]1(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)OCCc2ccccc21 ZINC000558509292 459168693 /nfs/dbraw/zinc/16/86/93/459168693.db2.gz MDOOFCKBFUQOJI-AYWYSENESA-N 2 0 328.500 3.327 10 0 EGAERP O[C@@H]1CCCC[C@@H]1C[N@H+](Cc1ccsc1)[C@@H]1CC12CC[NH2+]CC2 ZINC000568050775 459214905 /nfs/dbraw/zinc/21/49/05/459214905.db2.gz DZORGOYLJYYXEM-KZNAEPCWSA-N 2 0 334.529 3.243 10 0 EGAERP CC(C)CC1([N@@H+]2CCCN(C(=O)OC(C)(C)C)CC2)CC[NH2+]CC1 ZINC000536955962 459362534 /nfs/dbraw/zinc/36/25/34/459362534.db2.gz VRXKVUWWKQLOQW-UHFFFAOYSA-N 2 0 339.524 3.098 10 0 EGAERP CC[NH+]1CCN([C@@H]2CC[N@H+](Cc3c(C)c(C)c(C)c(C)c3C)C2)CC1 ZINC000483386019 459364660 /nfs/dbraw/zinc/36/46/60/459364660.db2.gz UKOSURLCHJXPJW-OAQYLSRUSA-N 2 0 343.559 3.441 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000541575035 459468935 /nfs/dbraw/zinc/46/89/35/459468935.db2.gz SGRWICGTZVUAMO-HKUYNNGSSA-N 2 0 345.531 3.324 10 0 EGAERP c1ccc(COc2ccc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cc2)nc1 ZINC000583500199 459549814 /nfs/dbraw/zinc/54/98/14/459549814.db2.gz PSCZSTNFELKXIS-KDURUIRLSA-N 2 0 337.467 3.092 10 0 EGAERP Clc1cccc2c1CCN(CC[NH2+]C1CC[NH+](CC3CC3)CC1)C2 ZINC000526947542 459562476 /nfs/dbraw/zinc/56/24/76/459562476.db2.gz ZIPCYAAWQFEVRO-UHFFFAOYSA-N 2 0 347.934 3.162 10 0 EGAERP c1ccc([C@@H](CC2CC2)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000573437143 459677306 /nfs/dbraw/zinc/67/73/06/459677306.db2.gz VGZDAGMJYXERBQ-XVAXZDLZSA-N 2 0 327.516 3.334 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1)[C@@H]1C[C@H]1C1CC1 ZINC000527656129 459687481 /nfs/dbraw/zinc/68/74/81/459687481.db2.gz XIHSFJONPQKTGX-JHVJFLLYSA-N 2 0 328.500 3.168 10 0 EGAERP Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C[C@@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995870 459689441 /nfs/dbraw/zinc/68/94/41/459689441.db2.gz GWLIHAFOVKRNLY-HZPDHXFCSA-N 2 0 341.377 3.144 10 0 EGAERP CCOc1cc(C[NH2+]CCC2CC[NH+](CC)CC2)c(F)cc1OC ZINC000527667683 459692852 /nfs/dbraw/zinc/69/28/52/459692852.db2.gz QHVBJKSJLITQCL-UHFFFAOYSA-N 2 0 338.467 3.445 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527670210 459693979 /nfs/dbraw/zinc/69/39/79/459693979.db2.gz MALYWZXABLBSDZ-JHVJFLLYSA-N 2 0 328.500 3.168 10 0 EGAERP C[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)[NH+](C)C1CC1 ZINC000563119694 459717709 /nfs/dbraw/zinc/71/77/09/459717709.db2.gz FQWGTCULDBBMPT-HKUYNNGSSA-N 2 0 327.516 3.256 10 0 EGAERP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563149526 459724433 /nfs/dbraw/zinc/72/44/33/459724433.db2.gz JWCWOLRFPMJGDA-GOSISDBHSA-N 2 0 346.862 3.008 10 0 EGAERP Clc1ccc(-c2noc(CC[N@@H+]3CC[C@@]4(C3)CCC[NH2+]C4)n2)cc1 ZINC000563149528 459725288 /nfs/dbraw/zinc/72/52/88/459725288.db2.gz JWCWOLRFPMJGDA-SFHVURJKSA-N 2 0 346.862 3.008 10 0 EGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011720 459795970 /nfs/dbraw/zinc/79/59/70/459795970.db2.gz IXJFMBOBIQRGFF-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[S@](=O)C1(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000584779647 459801142 /nfs/dbraw/zinc/80/11/42/459801142.db2.gz HOKPWGSUKBAWSW-KOSHJBKYSA-N 2 0 346.540 3.074 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](NCC[NH+]3CCCCC3)CC23CC3)cc1 ZINC000574518260 459828482 /nfs/dbraw/zinc/82/84/82/459828482.db2.gz YZUWFLGQGOKWKG-HXUWFJFHSA-N 2 0 327.516 3.259 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H]1CCC[C@@H](CCCC(=O)OC)C1 ZINC000593323597 459842410 /nfs/dbraw/zinc/84/24/10/459842410.db2.gz QTHRGBWIRPOQLS-QFBILLFUSA-N 2 0 332.488 3.398 10 0 EGAERP CC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)Cc1ccc(OC)c(OC)c1 ZINC000576114327 460072578 /nfs/dbraw/zinc/07/25/78/460072578.db2.gz RZWKEHSSYPVVLX-UHFFFAOYSA-N 2 0 340.467 3.372 10 0 EGAERP C[C@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCCCn1ccnc1 ZINC000576682392 460192312 /nfs/dbraw/zinc/19/23/12/460192312.db2.gz LOHQRQLOIKHSSJ-AZUAARDMSA-N 3 0 326.488 3.164 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1CN[C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623359915 460509016 /nfs/dbraw/zinc/50/90/16/460509016.db2.gz JHIPFUJHDZIRLI-IBGZPJMESA-N 2 0 347.547 3.370 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1CN[C@@H]1CC[N@H+](C)C(C)(C)C1 ZINC000623359916 460509150 /nfs/dbraw/zinc/50/91/50/460509150.db2.gz JHIPFUJHDZIRLI-LJQANCHMSA-N 2 0 347.547 3.370 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623385994 460521011 /nfs/dbraw/zinc/52/10/11/460521011.db2.gz GEQANJTXBURTAC-QGZVFWFLSA-N 2 0 331.504 3.126 10 0 EGAERP C[N@@H+]1CCC[C@@H](CNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623411133 460533536 /nfs/dbraw/zinc/53/35/36/460533536.db2.gz UKUYZDIUZUNEFH-LBPRGKRZSA-N 2 0 334.357 3.198 10 0 EGAERP c1c[nH]c([C@@H]2CCCN(c3nccc(N4Cc5ccccc5C4)n3)C2)n1 ZINC000623934105 460785073 /nfs/dbraw/zinc/78/50/73/460785073.db2.gz BKZYAPXHOSSPEL-QGZVFWFLSA-N 2 0 346.438 3.104 10 0 EGAERP CC[C@@H](C)[N@H+](C)CCNc1nccc(N2Cc3ccccc3C2)n1 ZINC000623932011 460785375 /nfs/dbraw/zinc/78/53/75/460785375.db2.gz VDTOPAVFSFUMPP-OAHLLOKOSA-N 2 0 325.460 3.139 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629517945 460791353 /nfs/dbraw/zinc/79/13/53/460791353.db2.gz BGEHJPPFFDBDMW-WMQCIHAUSA-N 2 0 349.478 3.101 10 0 EGAERP C[C@@H](Oc1ccc(Cl)cc1Cl)[C@H](C)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521709 460793674 /nfs/dbraw/zinc/79/36/74/460793674.db2.gz RUXWTIAOXCXDJQ-NWDGAFQWSA-N 2 0 347.286 3.247 10 0 EGAERP CC[C@@H]1[NH2+]CC[C@H]1N[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000629527167 460796491 /nfs/dbraw/zinc/79/64/91/460796491.db2.gz MICYMYCLORHBOM-ALGQRKQJSA-N 2 0 327.516 3.017 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1sc(-c2ccccc2F)nc1C ZINC000629529316 460797567 /nfs/dbraw/zinc/79/75/67/460797567.db2.gz ZGMCRPHOVSJYIK-LBPRGKRZSA-N 2 0 337.464 3.144 10 0 EGAERP C[C@@H]1CC[C@H](N[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C[NH2+]1 ZINC000629537521 460799630 /nfs/dbraw/zinc/79/96/30/460799630.db2.gz HYCYWGFQCCLWJF-OBJCFNGXSA-N 2 0 327.516 3.160 10 0 EGAERP CC1(C)C[C@H]([NH2+]CCOCCC[NH3+])c2cc(Br)ccc21 ZINC000629539349 460801308 /nfs/dbraw/zinc/80/13/08/460801308.db2.gz QABKAQDXSMNNRA-HNNXBMFYSA-N 2 0 341.293 3.127 10 0 EGAERP [NH3+]C[C@H]1C[N@H+](CCCCOc2ccccc2)CC[C@H]1C(F)(F)F ZINC000629564862 460810663 /nfs/dbraw/zinc/81/06/63/460810663.db2.gz VGSUWEOHCLBLCX-GOEBONIOSA-N 2 0 330.394 3.305 10 0 EGAERP c1ccc2c(c1)CC[C@H]2CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591603 460818960 /nfs/dbraw/zinc/81/89/60/460818960.db2.gz KQBFSGJYKQCDGR-VQTJNVASSA-N 2 0 328.500 3.197 10 0 EGAERP [NH3+]C1(C[NH2+]CC(c2ccc(F)cc2)c2ccc(F)cc2)CCOCC1 ZINC000629652839 460847373 /nfs/dbraw/zinc/84/73/73/460847373.db2.gz BSHPSNQRTKHMPO-UHFFFAOYSA-N 2 0 346.421 3.194 10 0 EGAERP [NH3+]CCCOCC[NH2+]Cc1ccc(Oc2cc(F)cc(F)c2)cc1 ZINC000629678816 460864121 /nfs/dbraw/zinc/86/41/21/460864121.db2.gz KTOKUSVWAMLSOS-UHFFFAOYSA-N 2 0 336.382 3.212 10 0 EGAERP COCCC[N@H+](C)CCOc1ccc(-c2cccc3c2C[NH2+]C3)cc1 ZINC000629706821 460878741 /nfs/dbraw/zinc/87/87/41/460878741.db2.gz DGKMQXYWACIPLW-UHFFFAOYSA-N 2 0 340.467 3.304 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CC[C@H]2CC2(F)F)CC1 ZINC000621377948 461014253 /nfs/dbraw/zinc/01/42/53/461014253.db2.gz KHSRUASGZIQIQC-ZDUSSCGKSA-N 2 0 343.849 3.227 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)cc1OC1CC1 ZINC000628147586 461018051 /nfs/dbraw/zinc/01/80/51/461018051.db2.gz SJJSITQLBYVNSZ-HNNXBMFYSA-N 2 0 327.428 3.339 10 0 EGAERP Cc1ccc([C@H](C)C[NH+]2CCN(C[C@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000628164596 461027340 /nfs/dbraw/zinc/02/73/40/461027340.db2.gz VSJYKBPMCRYVEV-TZIWHRDSSA-N 2 0 329.532 3.200 10 0 EGAERP Cc1ccc2cc(C[N@@H+](C)[C@@H]3CCN(C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000668162256 461147172 /nfs/dbraw/zinc/14/71/72/461147172.db2.gz TULMXZUFLQCWJD-HXUWFJFHSA-N 2 0 340.515 3.077 10 0 EGAERP C[C@@H]1C[C@@H]1c1noc(CC2CC[NH+](CCCC3CC[NH2+]CC3)CC2)n1 ZINC000652353131 461147194 /nfs/dbraw/zinc/14/71/94/461147194.db2.gz FRMIXHKEGKSIOM-QAPCUYQASA-N 2 0 346.519 3.227 10 0 EGAERP Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@H]([NH3+])CCO1 ZINC000652363788 461157948 /nfs/dbraw/zinc/15/79/48/461157948.db2.gz NLEOOFIYVOJKFB-QRVBRYPASA-N 2 0 332.488 3.043 10 0 EGAERP Fc1cccc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)c1OC(F)F ZINC000662275272 461161312 /nfs/dbraw/zinc/16/13/12/461161312.db2.gz YRQPKVUBXPPFEC-HNNXBMFYSA-N 2 0 328.378 3.391 10 0 EGAERP COc1ccc(OCCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662295240 461172514 /nfs/dbraw/zinc/17/25/14/461172514.db2.gz GEWBYOZZKQELDN-SFHVURJKSA-N 2 0 332.488 3.176 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCc2ccccc2C[NH+]2CCCCC2)CC[N@@H+]1C ZINC000630588499 461205804 /nfs/dbraw/zinc/20/58/04/461205804.db2.gz JBXXSDFSDVQPIS-VQTJNVASSA-N 2 0 343.515 3.019 10 0 EGAERP CC(C)(C)[C@@H]1C[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000668439891 461282274 /nfs/dbraw/zinc/28/22/74/461282274.db2.gz GEBBEZXYUKKIHB-WMZOPIPTSA-N 2 0 340.577 3.387 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+]CC[C@@H]3CCOC3)C3(CCC3)C2)cc1 ZINC000668713301 461392769 /nfs/dbraw/zinc/39/27/69/461392769.db2.gz LWBMBVOCCNURJN-WOJBJXKFSA-N 2 0 328.500 3.305 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CS1 ZINC000655751407 461418242 /nfs/dbraw/zinc/41/82/42/461418242.db2.gz MEOAVMXXKPEFBR-LZQZEXGQSA-N 2 0 334.529 3.017 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC)([NH+](C)C)CC2)o1 ZINC000634119893 461423092 /nfs/dbraw/zinc/42/30/92/461423092.db2.gz AVSIDFFNJMFFMS-UHFFFAOYSA-N 2 0 335.492 3.068 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccccc1 ZINC000634121207 461425927 /nfs/dbraw/zinc/42/59/27/461425927.db2.gz UKDNFZWUJHYMJN-GOSISDBHSA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](CNc2ncnc3[nH]c4cc(F)ccc4c32)C1 ZINC000642105160 461446839 /nfs/dbraw/zinc/44/68/39/461446839.db2.gz MSOPDZCJBRJOLF-LBPRGKRZSA-N 2 0 327.407 3.392 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]C2CCN(Cc3ccccc3Cl)CC2)C1 ZINC000655805120 461464281 /nfs/dbraw/zinc/46/42/81/461464281.db2.gz CQIVVUUIUHODJA-RHNCMZPLSA-N 2 0 335.923 3.234 10 0 EGAERP COc1cc(C[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)ccc1OCC(F)(F)F ZINC000655827314 461482305 /nfs/dbraw/zinc/48/23/05/461482305.db2.gz RIFXRSJGZLFBGZ-OKILXGFUSA-N 2 0 346.393 3.066 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2c3c(nn2C)CCCC3)cc1 ZINC000631036440 461488783 /nfs/dbraw/zinc/48/87/83/461488783.db2.gz BIHCCXMSJJJBES-UHFFFAOYSA-N 2 0 340.515 3.431 10 0 EGAERP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1OC ZINC000647248704 461589982 /nfs/dbraw/zinc/58/99/82/461589982.db2.gz UWOATNRDDQRDDX-MOPGFXCFSA-N 2 0 340.467 3.139 10 0 EGAERP CC(C)C[C@@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1ccncc1 ZINC000647282292 461609096 /nfs/dbraw/zinc/60/90/96/461609096.db2.gz LXDHVYTXHNLZLJ-WOJBJXKFSA-N 2 0 332.536 3.030 10 0 EGAERP Brc1cccc2c1C[C@@H]1[C@H]([NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)[C@H]21 ZINC000631191930 461631269 /nfs/dbraw/zinc/63/12/69/461631269.db2.gz ISISQDGBWMXSMU-KRSZPLJZSA-N 2 0 347.300 3.304 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CSc3ccccc3O2)[C@@H]2CCC[C@H]21 ZINC000647321366 461631985 /nfs/dbraw/zinc/63/19/85/461631985.db2.gz LEOFTZQCLZVPPJ-LTIDMASMSA-N 2 0 332.513 3.392 10 0 EGAERP COc1cc(C[NH2+]CC[C@@H]([NH3+])C(C)C)ccc1OCc1ccncc1 ZINC000663499270 461673209 /nfs/dbraw/zinc/67/32/09/461673209.db2.gz HVSNMDUNBVHYGT-GOSISDBHSA-N 2 0 343.471 3.132 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1ccc(Br)cc1F ZINC000663504185 461675926 /nfs/dbraw/zinc/67/59/26/461675926.db2.gz XPSSCSQBPDXKQL-IAQYHMDHSA-N 2 0 331.273 3.482 10 0 EGAERP C[NH2+]C[C@H](C)NCc1cnc(-c2ccc(Br)cc2)s1 ZINC000663507962 461678117 /nfs/dbraw/zinc/67/81/17/461678117.db2.gz DXEITMISDIDGIG-JTQLQIEISA-N 2 0 340.290 3.270 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCO4)[C@@H]3C2)cc1 ZINC000639036496 461683659 /nfs/dbraw/zinc/68/36/59/461683659.db2.gz ANOKPHYDRKBVKC-BURNTYAHSA-N 2 0 328.500 3.446 10 0 EGAERP Cc1ccc(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)c(-c2cnn(C)c2)c1 ZINC000647479365 461725080 /nfs/dbraw/zinc/72/50/80/461725080.db2.gz DMJFOLVUZJNDBC-GHTZIAJQSA-N 2 0 338.499 3.360 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)c2nc(C)nc(C)c2Br)[C@@H](C)C1 ZINC000663658556 461739710 /nfs/dbraw/zinc/73/97/10/461739710.db2.gz MWXMRUPGTZOVBD-GWCFXTLKSA-N 2 0 341.297 3.022 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+]CCC[C@@H]3CCO3)C3(CCC3)C2)cc1 ZINC000639328735 461863640 /nfs/dbraw/zinc/86/36/40/461863640.db2.gz JMQIILJYJKBZRP-WOJBJXKFSA-N 2 0 328.500 3.447 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953600 461886187 /nfs/dbraw/zinc/88/61/87/461886187.db2.gz BSUNXLTZMVRKDS-IAQYHMDHSA-N 2 0 341.268 3.251 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650713308 461906429 /nfs/dbraw/zinc/90/64/29/461906429.db2.gz NQDJXUUIFVWESB-GFCCVEGCSA-N 2 0 343.393 3.141 10 0 EGAERP CCCOc1cc(C[NH2+]Cc2ccccc2C[NH2+]C)ccc1OC ZINC000650718470 461909899 /nfs/dbraw/zinc/90/98/99/461909899.db2.gz OAGIPUONJIEYTG-UHFFFAOYSA-N 2 0 328.456 3.493 10 0 EGAERP CCc1cc(N2CCC([N@@H+]3CCCOCC3)CC2)c2ccccc2[nH+]1 ZINC000664011665 461912598 /nfs/dbraw/zinc/91/25/98/461912598.db2.gz RQKLJIKIMAYEIY-UHFFFAOYSA-N 2 0 339.483 3.488 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000650724077 461915822 /nfs/dbraw/zinc/91/58/22/461915822.db2.gz YBUYNMXRXPUXHK-DJIMGWMZSA-N 2 0 335.517 3.271 10 0 EGAERP CN1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)[C@H]1c1ccc(F)c(F)c1 ZINC000647992532 461927116 /nfs/dbraw/zinc/92/71/16/461927116.db2.gz MFWMHGCMEBVXLU-RTBURBONSA-N 2 0 337.458 3.079 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1C ZINC000650755545 461937625 /nfs/dbraw/zinc/93/76/25/461937625.db2.gz HKGNORRXTGHWOJ-OAHLLOKOSA-N 2 0 342.483 3.452 10 0 EGAERP Oc1cccc2c(NCc3ccc(C[N@H+]4CC[C@@H](O)C4)cc3)cc[nH+]c12 ZINC000664236726 461993808 /nfs/dbraw/zinc/99/38/08/461993808.db2.gz MQYPQHQFRURYBB-QGZVFWFLSA-N 2 0 349.434 3.119 10 0 EGAERP C[C@@H](C[NH2+]Cc1cccc(C2CCCC2)c1)CN1CC[NH+](C)CC1 ZINC000657346951 462061961 /nfs/dbraw/zinc/06/19/61/462061961.db2.gz ROLUUPOAIYULCO-SFHVURJKSA-N 2 0 329.532 3.317 10 0 EGAERP Cc1c(Br)cncc1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000657377921 462082747 /nfs/dbraw/zinc/08/27/47/462082747.db2.gz RPJZIKAYCZDBGD-GOOCMWNKSA-N 2 0 338.293 3.257 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCOC3(CCCCC3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657399267 462098976 /nfs/dbraw/zinc/09/89/76/462098976.db2.gz GHEPUSHHJQFUIK-MRXNPFEDSA-N 2 0 326.444 3.239 10 0 EGAERP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657596374 462196988 /nfs/dbraw/zinc/19/69/88/462196988.db2.gz VSFBCGXPCFWPRT-ZAVKOYKVSA-N 2 0 336.479 3.446 10 0 EGAERP C[C@@H]1CCC[C@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664188 462220515 /nfs/dbraw/zinc/22/05/15/462220515.db2.gz IFCVVTFBFAXLHG-YLJYHZDGSA-N 2 0 345.531 3.264 10 0 EGAERP CC(C)[C@H]1C[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648739619 462254541 /nfs/dbraw/zinc/25/45/41/462254541.db2.gz GJSSLVRUQFUSMX-UYAOXDASSA-N 2 0 334.504 3.168 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000667821205 462278660 /nfs/dbraw/zinc/27/86/60/462278660.db2.gz XSBHSLCOWOQKSZ-PZJWPPBQSA-N 2 0 344.499 3.064 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000657856325 462298628 /nfs/dbraw/zinc/29/86/28/462298628.db2.gz MZGCZSGMQZPJKC-NRFANRHFSA-N 2 0 348.531 3.448 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677526 462301180 /nfs/dbraw/zinc/30/11/80/462301180.db2.gz LBPUGMNOTWSAFZ-XJKSGUPXSA-N 2 0 339.886 3.082 10 0 EGAERP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1cc2cnccc2o1 ZINC000657864067 462301320 /nfs/dbraw/zinc/30/13/20/462301320.db2.gz NRGQNHYQGUKRRL-HNNXBMFYSA-N 2 0 342.487 3.037 10 0 EGAERP FCC1(CF)CC([NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000657878440 462306210 /nfs/dbraw/zinc/30/62/10/462306210.db2.gz NHYOWYFEPFDJLO-UHFFFAOYSA-N 2 0 338.442 3.339 10 0 EGAERP CC[C@@]1(C)CCC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000651752581 462325475 /nfs/dbraw/zinc/32/54/75/462325475.db2.gz LQFBKLGQUVXRLS-QUCCMNQESA-N 2 0 331.504 3.036 10 0 EGAERP OC[C@@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCSCC1 ZINC000657970122 462331383 /nfs/dbraw/zinc/33/13/83/462331383.db2.gz YGOGOEQTVGPUQW-MOPGFXCFSA-N 2 0 334.529 3.019 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000658012646 462345961 /nfs/dbraw/zinc/34/59/61/462345961.db2.gz HLNSPOQSPBCYIH-JRGCBEDISA-N 2 0 346.515 3.071 10 0 EGAERP c1cc(C[N@H+]2CC[C@@H](COc3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000667959824 462348269 /nfs/dbraw/zinc/34/82/69/462348269.db2.gz YSGSQMVRJLWWGU-QGZVFWFLSA-N 2 0 334.423 3.168 10 0 EGAERP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658071195 462367782 /nfs/dbraw/zinc/36/77/82/462367782.db2.gz VTCAHGZGZQTWED-SFHVURJKSA-N 2 0 335.467 3.152 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@H]1CC2(CCC2)Oc2ccccc21 ZINC000658109332 462389923 /nfs/dbraw/zinc/38/99/23/462389923.db2.gz WDBXVVBGFOEOTL-HKUYNNGSSA-N 2 0 345.531 3.295 10 0 EGAERP Cc1cccnc1[C@H]1CCC[C@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)C1 ZINC000658109748 462389997 /nfs/dbraw/zinc/38/99/97/462389997.db2.gz WKXIHNWWFPLODJ-UFYCRDLUSA-N 2 0 346.563 3.278 10 0 EGAERP COc1ccccc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658144350 462406652 /nfs/dbraw/zinc/40/66/52/462406652.db2.gz LRTHNLXGRGRXAR-VQIMIIECSA-N 2 0 340.467 3.113 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1cnn(C)c1 ZINC000658319431 462474739 /nfs/dbraw/zinc/47/47/39/462474739.db2.gz AVNIYSHWDUPZND-FXAWDEMLSA-N 2 0 338.499 3.373 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@H]3CCCOCC3)C3(CCC3)C2)cc1 ZINC000658319510 462475352 /nfs/dbraw/zinc/47/53/52/462475352.db2.gz DQPXJZBNCAPXPH-PMACEKPBSA-N 2 0 328.500 3.447 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCOC2(C)C)CC1 ZINC000658332833 462479855 /nfs/dbraw/zinc/47/98/55/462479855.db2.gz WCKYNZFVYQAQEF-HKUYNNGSSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CC(N)=O)CCCCC3)CC2)C1 ZINC000658339081 462480764 /nfs/dbraw/zinc/48/07/64/462480764.db2.gz PUOBONVYCNWFPJ-MJGOQNOKSA-N 2 0 349.563 3.445 10 0 EGAERP C[C@@H](O)[C@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361148 462490233 /nfs/dbraw/zinc/49/02/33/462490233.db2.gz KWTAOAPDJWMGPB-FVJLSDCUSA-N 2 0 342.483 3.400 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cccc3cnccc32)C[C@H](C)O1 ZINC000181505881 547068424 /nfs/dbraw/zinc/06/84/24/547068424.db2.gz DJJSBLZENQRTRD-CALCHBBNSA-N 2 0 327.472 3.214 10 0 EGAERP COCC[C@@H](C)[NH+]1CCC[C@@]2(CCC[N@@H+]([C@@H](C)CCOC)C2)C1 ZINC000351994855 547678948 /nfs/dbraw/zinc/67/89/48/547678948.db2.gz LPFKNHILVCMTLP-CEXWTWQISA-N 2 0 326.525 3.014 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000391181686 547829863 /nfs/dbraw/zinc/82/98/63/547829863.db2.gz JLAGAMVONWSDKM-RDTXWAMCSA-N 2 0 341.902 3.402 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)[C@@H]2CCC[C@H]21 ZINC000671743359 548350351 /nfs/dbraw/zinc/35/03/51/548350351.db2.gz SDFFIWCQRQCOFM-JKTDJZPLSA-N 2 0 349.469 3.254 10 0 EGAERP C[C@H](c1ccco1)N(C[C@@H](O)C[N@H+](C)Cc1ccccc1)C1CC1 ZINC000676704755 549131559 /nfs/dbraw/zinc/13/15/59/549131559.db2.gz JKYFBQIEYVVTKY-APWZRJJASA-N 2 0 328.456 3.298 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000678333912 549470663 /nfs/dbraw/zinc/47/06/63/549470663.db2.gz JDXIWCWRFSJQAY-CTNGQTDRSA-N 2 0 344.499 3.162 10 0 EGAERP Cc1ncc(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cn1 ZINC000680145067 549826918 /nfs/dbraw/zinc/82/69/18/549826918.db2.gz QEJMIIOCIYXMJO-PWRODBHTSA-N 2 0 336.483 3.175 10 0 EGAERP CC1(C)CC[C@@H](C[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)O1 ZINC000681700530 550028716 /nfs/dbraw/zinc/02/87/16/550028716.db2.gz QULLHRCHZZDTIK-IBGZPJMESA-N 2 0 332.488 3.208 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000123281450 1293439340 /nfs/dbraw/zinc/43/93/40/1293439340.db2.gz DGKIFEWUBHQDIF-ZWKOTPCHSA-N 2 0 331.504 3.361 10 0 EGAERP c1cncc(C[N@@H+]2CC[C@H](C3CC[NH+](Cc4cccnc4)CC3)C2)c1 ZINC000169749229 1294370557 /nfs/dbraw/zinc/37/05/57/1294370557.db2.gz BOTNQWURTUWDOI-NRFANRHFSA-N 2 0 336.483 3.211 10 0 EGAERP COC[C@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(F)c(Cl)c1)CC2 ZINC000169789835 1294372882 /nfs/dbraw/zinc/37/28/82/1294372882.db2.gz IPHZYWBQEUHPJP-OAHLLOKOSA-N 2 0 340.870 3.269 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CCN(C(=O)CC[C@@H]([NH3+])CC2CCCCC2)C1 ZINC000870990767 1296168645 /nfs/dbraw/zinc/16/86/45/1296168645.db2.gz BHVNWJUZIVLSIJ-YLJYHZDGSA-N 2 0 337.552 3.288 10 0 EGAERP [NH3+]C[C@H]1CCCc2ccc(-c3nc(C4C[C@H]5CC[C@@H](C4)[NH2+]5)no3)cc21 ZINC000871800585 1296542520 /nfs/dbraw/zinc/54/25/20/1296542520.db2.gz OYEBMTRBOZQBGR-MGNMYUMUSA-N 2 0 338.455 3.113 10 0 EGAERP C[NH+](C)CCC[NH2+][C@H](c1cccc(Br)c1)[C@@H]1CCOC1 ZINC000872016853 1296658305 /nfs/dbraw/zinc/65/83/05/1296658305.db2.gz PMBOPOFHPSPLBM-GDBMZVCRSA-N 2 0 341.293 3.068 10 0 EGAERP C[N@H+](CCCCCC[NH3+])Cc1nc2sc3c(c2c(N)n1)CCCC3 ZINC000872155649 1296773082 /nfs/dbraw/zinc/77/30/82/1296773082.db2.gz XMPDWUXWGSJSLC-UHFFFAOYSA-N 2 0 347.532 3.103 10 0 EGAERP CCOC(=O)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000386487406 1297590767 /nfs/dbraw/zinc/59/07/67/1297590767.db2.gz XAOWFYKEOHQOSZ-AQNXPRMDSA-N 2 0 344.499 3.220 10 0 EGAERP C[C@H]1CCCC[C@@H]1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397588429 1297700993 /nfs/dbraw/zinc/70/09/93/1297700993.db2.gz KQUDWFGRBXPCIC-AZUAARDMSA-N 2 0 330.516 3.429 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]CCCCNC(=O)OC(C)(C)C)CC1 ZINC000397993344 1297708970 /nfs/dbraw/zinc/70/89/70/1297708970.db2.gz YBGNTJBQLIJXFU-UHFFFAOYSA-N 2 0 327.513 3.001 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCN(Cc2ccc3c(c2)C[NH2+]CC3)CC1 ZINC000717501276 1298303292 /nfs/dbraw/zinc/30/32/92/1298303292.db2.gz FIEQLHRQUKBYQF-UHFFFAOYSA-N 2 0 349.522 3.429 10 0 EGAERP C[C@@H]1CCOCC[NH+]1CC(C[N@H+]1CCOCC[C@H]1C)C1CCCC1 ZINC000878373485 1299954311 /nfs/dbraw/zinc/95/43/11/1299954311.db2.gz MMAZKFHSHGDEMV-QZTJIDSGSA-N 2 0 338.536 3.014 10 0 EGAERP c1cc(CN2CCOCC2)ccc1C[NH2+]C1([C@H]2CCCCO2)CCC1 ZINC000879734271 1300703949 /nfs/dbraw/zinc/70/39/49/1300703949.db2.gz HPCUSFCLNGCKHQ-HXUWFJFHSA-N 2 0 344.499 3.100 10 0 EGAERP c1cc(CN2CCOCC2)ccc1C[NH2+]C1([C@@H]2CCCCO2)CCC1 ZINC000879734270 1300704463 /nfs/dbraw/zinc/70/44/63/1300704463.db2.gz HPCUSFCLNGCKHQ-FQEVSTJZSA-N 2 0 344.499 3.100 10 0 EGAERP O[C@@H]1Cc2ccccc2[C@@H]1[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886521250 1303486174 /nfs/dbraw/zinc/48/61/74/1303486174.db2.gz XJTYVHBOUQAKGR-BZJMLBMJSA-N 2 0 348.490 3.287 10 0 EGAERP C[NH+](C)CCC[N@H+](C)CC1C[C@H]2CC[C@@H](C1)N2C(=O)OC(C)(C)C ZINC000894763630 1309057035 /nfs/dbraw/zinc/05/70/35/1309057035.db2.gz NYSRTQOOIYTJAC-ALOPSCKCSA-N 2 0 339.524 3.048 10 0 EGAERP Cc1cnc(Cl)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000922244193 1322486860 /nfs/dbraw/zinc/48/68/60/1322486860.db2.gz RNNYPEPRIMPUJP-UHFFFAOYSA-N 2 0 344.890 3.440 10 0 EGAERP CC(C)[C@H]1[N@H+](C)C[C@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC000922388033 1322516070 /nfs/dbraw/zinc/51/60/70/1322516070.db2.gz NQFWOTWGGNBOJK-LFGUQSLTSA-N 2 0 328.456 3.002 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(C(F)(F)F)cc1)CC2 ZINC000923451775 1322754413 /nfs/dbraw/zinc/75/44/13/1322754413.db2.gz CVDXIBSAYGKXKE-OAHLLOKOSA-N 2 0 328.378 3.035 10 0 EGAERP C[C@H](c1nc(Cc2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923495693 1322761566 /nfs/dbraw/zinc/76/15/66/1322761566.db2.gz DZLXKBZRYHYQFR-UMVBOHGHSA-N 2 0 348.878 3.292 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@H](C)C[NH+]2CCCCC2)n(C)n1 ZINC000924722261 1323133456 /nfs/dbraw/zinc/13/34/56/1323133456.db2.gz QQNZVBPZJRAVMN-QRFRQXIXSA-N 2 0 332.536 3.151 10 0 EGAERP COc1ccccc1[C@@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924736347 1323140631 /nfs/dbraw/zinc/14/06/31/1323140631.db2.gz WSTLKHPTAHKGMS-BEFAXECRSA-N 2 0 328.456 3.141 10 0 EGAERP C[N@@H+]1CCC[C@H](C[NH2+][C@H]2CCCc3ncc(Br)cc32)C1 ZINC000925013125 1323244362 /nfs/dbraw/zinc/24/43/62/1323244362.db2.gz YPGRWTIVHHPNBD-DOMZBBRYSA-N 2 0 338.293 3.153 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@H+](C)Cc1ccco1)C(C)(C)CO ZINC000925131078 1325057337 /nfs/dbraw/zinc/05/73/37/1325057337.db2.gz AVRLUHKYIBDVOK-INIZCTEOSA-N 2 0 330.472 3.408 10 0 EGAERP CN(C)[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cccc(F)c1 ZINC000925495759 1325177178 /nfs/dbraw/zinc/17/71/78/1325177178.db2.gz WOCPJRGOAABFIX-HSALFYBXSA-N 2 0 333.495 3.186 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533986 1325196824 /nfs/dbraw/zinc/19/68/24/1325196824.db2.gz HUYOEOAJXNPRRU-LSDHHAIUSA-N 2 0 336.476 3.098 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c1 ZINC000925548996 1325203244 /nfs/dbraw/zinc/20/32/44/1325203244.db2.gz WBHODQCPVQCNOO-RBUKOAKNSA-N 2 0 334.504 3.235 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925551849 1325204394 /nfs/dbraw/zinc/20/43/94/1325204394.db2.gz UFQGNZVYBUDNCA-KGLIPLIRSA-N 2 0 337.895 3.473 10 0 EGAERP COc1ccc(C2(C[NH2+][C@H]3CC[NH2+]C34CCCC4)CCOCC2)cc1 ZINC000925564057 1325211998 /nfs/dbraw/zinc/21/19/98/1325211998.db2.gz QQISIOZBPMLZOO-IBGZPJMESA-N 2 0 344.499 3.008 10 0 EGAERP C[NH+](C)[C@@H](CN[C@H]1CC[NH2+]C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925639751 1325243913 /nfs/dbraw/zinc/24/39/13/1325243913.db2.gz DGVKFQBEJPLBPL-HOTGVXAUSA-N 2 0 341.421 3.182 10 0 EGAERP FC(F)(F)c1ccnc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925678731 1325259210 /nfs/dbraw/zinc/25/92/10/1325259210.db2.gz WZMVJVQGDCFMOX-DLBZAZTESA-N 2 0 341.421 3.401 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000925703098 1325264492 /nfs/dbraw/zinc/26/44/92/1325264492.db2.gz CAZDSOXDOLBNQF-GDAAHCPNSA-N 2 0 333.495 3.014 10 0 EGAERP CC1(C)CO[C@H](CC[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000925773538 1325293967 /nfs/dbraw/zinc/29/39/67/1325293967.db2.gz CVMDUOPVKNEWID-SYNHAJSKSA-N 2 0 330.472 3.037 10 0 EGAERP FC1(F)CC[NH2+]C[C@H]1C[NH2+][C@@H](Cc1ccccc1Cl)C1CC1 ZINC000925779346 1325296879 /nfs/dbraw/zinc/29/68/79/1325296879.db2.gz XJCOMLGILTUCJB-HOCLYGCPSA-N 2 0 328.834 3.496 10 0 EGAERP COc1cc(OC)c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)cc1Cl ZINC000925797449 1325306610 /nfs/dbraw/zinc/30/66/10/1325306610.db2.gz HJTINXYJXARTDZ-JHJVBQTASA-N 2 0 326.868 3.253 10 0 EGAERP O=c1[nH]cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c2ccccc12 ZINC000925807390 1325309949 /nfs/dbraw/zinc/30/99/49/1325309949.db2.gz AIMIGHUVJHXRDM-CEXWTWQISA-N 2 0 325.456 3.341 10 0 EGAERP CCc1ccc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)o1 ZINC000925807745 1325310146 /nfs/dbraw/zinc/31/01/46/1325310146.db2.gz HNROLNILKMYWRD-INIZCTEOSA-N 2 0 327.472 3.098 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(SC(F)F)cc1 ZINC000925812235 1325312926 /nfs/dbraw/zinc/31/29/26/1325312926.db2.gz WDCRTBJGYWBPBD-GFCCVEGCSA-N 2 0 329.460 3.075 10 0 EGAERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2cc(OC)ccc2c1 ZINC000925811880 1325312930 /nfs/dbraw/zinc/31/29/30/1325312930.db2.gz TWNQTSOBPAGYSW-NRFANRHFSA-N 2 0 341.499 3.312 10 0 EGAERP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816230 1325314087 /nfs/dbraw/zinc/31/40/87/1325314087.db2.gz HAAXMASNIXYVHI-HNNXBMFYSA-N 2 0 345.512 3.013 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@H]1CC[C@H](C(F)(F)F)O1 ZINC000925833254 1325321307 /nfs/dbraw/zinc/32/13/07/1325321307.db2.gz ZPNYXMKDSNYQKQ-DRPJVOAASA-N 2 0 330.394 3.035 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925844064 1325325514 /nfs/dbraw/zinc/32/55/14/1325325514.db2.gz VBXFXGYEYYWIQA-GFOJFJKKSA-N 2 0 327.516 3.019 10 0 EGAERP CC(C)CC[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccoc1 ZINC000925850103 1325329208 /nfs/dbraw/zinc/32/92/08/1325329208.db2.gz NBWWKXIHIPDIFH-SJORKVTESA-N 2 0 334.460 3.032 10 0 EGAERP Cc1ccc2cc([C@@H](C)[NH2+]C[C@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850731 1325329427 /nfs/dbraw/zinc/32/94/27/1325329427.db2.gz PPYWGECWBRJYGC-GDBMZVCRSA-N 2 0 342.439 3.077 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cc2ccccc2s1 ZINC000925849999 1325329720 /nfs/dbraw/zinc/32/97/20/1325329720.db2.gz LKJHXJCXEQDMQP-DZGCQCFKSA-N 2 0 344.480 3.237 10 0 EGAERP CCSc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925851722 1325330934 /nfs/dbraw/zinc/33/09/34/1325330934.db2.gz NGVFIAIXTGCPEQ-HOCLYGCPSA-N 2 0 348.512 3.135 10 0 EGAERP CC(C)Cc1cccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c1 ZINC000925851934 1325331037 /nfs/dbraw/zinc/33/10/37/1325331037.db2.gz UBPIFWMEEMRZJJ-LPHOPBHVSA-N 2 0 344.499 3.221 10 0 EGAERP C[C@H]1CC2(CC([NH2+]C[C@@]3(C)CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926350750 1325524484 /nfs/dbraw/zinc/52/44/84/1325524484.db2.gz GMZVZXVLRWEATG-RCKXYERXSA-N 2 0 328.500 3.446 10 0 EGAERP c1[nH+]cn2cc(C[NH2+]C3CCN(OCc4ccccc4)CC3)ccc12 ZINC000926567337 1327618769 /nfs/dbraw/zinc/61/87/69/1327618769.db2.gz PWCZUFUTGSYACE-UHFFFAOYSA-N 2 0 336.439 3.020 10 0 EGAERP CC[C@@H](C[C@@](C)(O)CC)[NH2+]CC1CC[NH+](Cc2ccncc2)CC1 ZINC000926693774 1327670282 /nfs/dbraw/zinc/67/02/82/1327670282.db2.gz PXILMCZQKMFEFO-PMACEKPBSA-N 2 0 333.520 3.213 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2oc(=O)n(C)c2c1)c1cccc(C[NH+](C)C)c1 ZINC000926766035 1327706567 /nfs/dbraw/zinc/70/65/67/1327706567.db2.gz OOZKPJUMBANMMP-AWEZNQCLSA-N 2 0 339.439 3.044 10 0 EGAERP C[C@@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926960471 1327798966 /nfs/dbraw/zinc/79/89/66/1327798966.db2.gz WACARTHNSBIQJQ-CJNGLKHVSA-N 2 0 331.426 3.281 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927016187 1327821897 /nfs/dbraw/zinc/82/18/97/1327821897.db2.gz JNEZVLOHJQRSDM-QFBILLFUSA-N 2 0 332.488 3.127 10 0 EGAERP CC(C)c1ccc(C2(O)CCC([NH2+]CC3([NH3+])CCOCC3)CC2)cc1 ZINC000863540204 1329562008 /nfs/dbraw/zinc/56/20/08/1329562008.db2.gz CCFNNJAFYYOUHD-UHFFFAOYSA-N 2 0 346.515 3.038 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865413230 1329693853 /nfs/dbraw/zinc/69/38/53/1329693853.db2.gz AGGJSNLGVYQFFL-UHFFFAOYSA-N 2 0 337.471 3.098 10 0 EGAERP CC(=O)NCC1CCC([NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CC1 ZINC000865507640 1329706824 /nfs/dbraw/zinc/70/68/24/1329706824.db2.gz CSINBOFNGLENDU-UHFFFAOYSA-N 2 0 349.563 3.314 10 0 EGAERP CSC1(C[NH2+]Cc2cnc3c(F)cccc3c2)CC[NH+](C)CC1 ZINC000865574148 1329715372 /nfs/dbraw/zinc/71/53/72/1329715372.db2.gz ROUJKGLIMOZXRO-UHFFFAOYSA-N 2 0 333.476 3.291 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)CC2)CC1(C)C ZINC000865713794 1329731826 /nfs/dbraw/zinc/73/18/26/1329731826.db2.gz WMZMVHIKJVYSIH-JYJNAYRXSA-N 2 0 339.524 3.285 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(Cl)cc2-n2cncn2)CC1 ZINC000865765301 1329736441 /nfs/dbraw/zinc/73/64/41/1329736441.db2.gz PURNVXRUNRAIMF-UHFFFAOYSA-N 2 0 347.894 3.273 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C2([C@@H]3CCCCO3)CCC2)cc1 ZINC000865858007 1329746166 /nfs/dbraw/zinc/74/61/66/1329746166.db2.gz YDRFBIKESNBWJB-IBGZPJMESA-N 2 0 332.488 3.208 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866233631 1330082024 /nfs/dbraw/zinc/08/20/24/1330082024.db2.gz XLVIVTNJTZEFQQ-UTKZUKDTSA-N 2 0 347.522 3.456 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000866261405 1330087301 /nfs/dbraw/zinc/08/73/01/1330087301.db2.gz SSEUQENUIOAGQE-UZLBHIALSA-N 2 0 333.495 3.066 10 0 EGAERP Cc1cccc(C[C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000866384675 1330104667 /nfs/dbraw/zinc/10/46/67/1330104667.db2.gz CGJICEBCDUUXFW-SFHVURJKSA-N 2 0 330.516 3.407 10 0 EGAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]C2CCC(C)([NH+](C)C)CC2)c1 ZINC000866517012 1330120965 /nfs/dbraw/zinc/12/09/65/1330120965.db2.gz USZPSNQDJQLFEW-LSWWBPAMSA-N 2 0 347.503 3.265 10 0 EGAERP CC(=O)N1CC[C@@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)c2ccccc2C1 ZINC000866516961 1330121079 /nfs/dbraw/zinc/12/10/79/1330121079.db2.gz FECYRYSDKNKTJQ-VEDCXYSMSA-N 2 0 343.515 3.332 10 0 EGAERP Cc1cc(C[NH3+])cc(NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000868166749 1330257896 /nfs/dbraw/zinc/25/78/96/1330257896.db2.gz ALFWOWUDEVEGAP-UHFFFAOYSA-N 2 0 346.519 3.285 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@@H]3CCC[C@@H]4CCC[N@@H+]43)n2)cc1 ZINC000952881277 1334587075 /nfs/dbraw/zinc/58/70/75/1334587075.db2.gz GEIFRHPASFCPBF-SJORKVTESA-N 2 0 326.444 3.488 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171124 1387306310 /nfs/dbraw/zinc/30/63/10/1387306310.db2.gz UEPSILLZTBKQTJ-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001323644740 1387416359 /nfs/dbraw/zinc/41/63/59/1387416359.db2.gz WNILTONSSPPEID-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2[C@@H](C)c1ccccc1 ZINC001323791431 1387453952 /nfs/dbraw/zinc/45/39/52/1387453952.db2.gz YHQIDOZOPCPZGL-YSIASYRMSA-N 2 0 343.515 3.155 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001323813684 1387466021 /nfs/dbraw/zinc/46/60/21/1387466021.db2.gz SMMWROFZNRWDCY-GHTZIAJQSA-N 2 0 343.515 3.014 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC001324533910 1387660643 /nfs/dbraw/zinc/66/06/43/1387660643.db2.gz VQOPYXYJEVRNEP-AABGKKOBSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)C1 ZINC001324788785 1387773009 /nfs/dbraw/zinc/77/30/09/1387773009.db2.gz LETLYAVIUHKEJY-RXVVDRJESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001324971492 1387858558 /nfs/dbraw/zinc/85/85/58/1387858558.db2.gz JAVAPNQMYXMSKN-CTNGQTDRSA-N 2 0 345.531 3.308 10 0 EGAERP CC(C)C[N@H+](C[C@H](O)[C@@H](C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC001197194296 1368762629 /nfs/dbraw/zinc/76/26/29/1368762629.db2.gz LDBWXUWQEMYDOJ-RXVVDRJESA-N 2 0 332.532 3.451 10 0 EGAERP Cc1nnsc1[C@H](C)N1C[C@@H]2C[N@@H+](Cc3ccccc3)CC[C@@H]2C1 ZINC001197912186 1368922319 /nfs/dbraw/zinc/92/23/19/1368922319.db2.gz XFGYIMIMWLGWOM-JQHSSLGASA-N 2 0 342.512 3.361 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001325476630 1387987492 /nfs/dbraw/zinc/98/74/92/1387987492.db2.gz PVYOHJUOSAEKOS-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCN(c3cccc(F)c3)CC2)[C@@H]2CCC[C@H]21 ZINC001117112353 1371012421 /nfs/dbraw/zinc/01/24/21/1371012421.db2.gz IGKNJZKONXXEOM-SLFFLAALSA-N 2 0 331.479 3.257 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@@H](CC[NH2+]CC3CCC3)C2)CCCCC1 ZINC001326326924 1388155128 /nfs/dbraw/zinc/15/51/28/1388155128.db2.gz WRBFHIBBPHRXQL-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP [NH3+][C@@H]1CCCC[C@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001326420869 1388183272 /nfs/dbraw/zinc/18/32/72/1388183272.db2.gz JYPJHRJBMIKOLB-RTBURBONSA-N 2 0 329.488 3.171 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001125037297 1372749007 /nfs/dbraw/zinc/74/90/07/1372749007.db2.gz UWDJSSNTXDHGLR-LJQANCHMSA-N 2 0 343.531 3.025 10 0 EGAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CCCCC1 ZINC001266155346 1377209226 /nfs/dbraw/zinc/20/92/26/1377209226.db2.gz MCRPKBYLOPJSBC-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1=CCCCC1 ZINC001266170744 1377215848 /nfs/dbraw/zinc/21/58/48/1377215848.db2.gz YVLMFQSZYIOMGK-LNLFQRSKSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266232924 1377238903 /nfs/dbraw/zinc/23/89/03/1377238903.db2.gz DEDUHUJMXKLWGR-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001266240257 1377243033 /nfs/dbraw/zinc/24/30/33/1377243033.db2.gz RPQVKOUNJAQYHK-UXHICEINSA-N 2 0 345.531 3.231 10 0 EGAERP CCc1ccc([C@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)[NH+](C)C)cc1 ZINC001135926521 1377264618 /nfs/dbraw/zinc/26/46/18/1377264618.db2.gz LCRPBJKRQNFVQD-UFYCRDLUSA-N 2 0 345.531 3.088 10 0 EGAERP CC[C@@H](c1ccccc1)[NH+]1CC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001268045691 1377484647 /nfs/dbraw/zinc/48/46/47/1377484647.db2.gz GARRDBRNMJJMKN-IBGZPJMESA-N 2 0 343.515 3.014 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001268194513 1377491541 /nfs/dbraw/zinc/49/15/41/1377491541.db2.gz YSZISAKCGWSZSF-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001269178045 1377542167 /nfs/dbraw/zinc/54/21/67/1377542167.db2.gz XLOARSGYBBQLBW-ASIGSXEYSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269339285 1377551213 /nfs/dbraw/zinc/55/12/13/1377551213.db2.gz KYYUIJGRYHZJPT-XSAZBNQGSA-N 2 0 335.536 3.140 10 0 EGAERP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001137743334 1377608635 /nfs/dbraw/zinc/60/86/35/1377608635.db2.gz JCMJWRNZEQOACE-YNIZLOQISA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)C[C@@H](C(=O)N1CCC2(C[NH+](CC(C)C)C2)CC1)n1ccnc1 ZINC001270851310 1377615994 /nfs/dbraw/zinc/61/59/94/1377615994.db2.gz KPHIKMCDDYFWRW-SFHVURJKSA-N 2 0 346.519 3.051 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001327449833 1388522307 /nfs/dbraw/zinc/52/23/07/1388522307.db2.gz UGAFBZIQRNWCQX-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001276634338 1378182657 /nfs/dbraw/zinc/18/26/57/1378182657.db2.gz SMNQADDZIIAYFU-VQIMIIECSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](C2CCN(C(=O)C[NH+]3CCCC3)CC2)C1 ZINC001277286453 1378215600 /nfs/dbraw/zinc/21/56/00/1378215600.db2.gz ZSUGPKWWZYSDKP-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1 ZINC001278623191 1378284231 /nfs/dbraw/zinc/28/42/31/1378284231.db2.gz UHWYGRLHZWTUCE-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281055751 1378396316 /nfs/dbraw/zinc/39/63/16/1378396316.db2.gz MQAGMFQGOVOTOI-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)C ZINC001281968890 1378465712 /nfs/dbraw/zinc/46/57/12/1378465712.db2.gz QZHNOVLUPKJTAM-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1C[NH+](CC2CCC2)CC1(C)C ZINC001282812522 1378623607 /nfs/dbraw/zinc/62/36/07/1378623607.db2.gz ORSCNIQQKWUSPH-GOSISDBHSA-N 2 0 349.563 3.266 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001282834988 1378637362 /nfs/dbraw/zinc/63/73/62/1378637362.db2.gz YBRRNBDHKAHRJK-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001283111080 1378735418 /nfs/dbraw/zinc/73/54/18/1378735418.db2.gz NGHGBLXNZAOWNT-XSLAGTTESA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283174800 1378752899 /nfs/dbraw/zinc/75/28/99/1378752899.db2.gz ZWAOCXYTYHULCN-WMZOPIPTSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H](CCC[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283230937 1378766578 /nfs/dbraw/zinc/76/65/78/1378766578.db2.gz XIMLVIODIUNQHJ-LNLFQRSKSA-N 2 0 335.536 3.092 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001283351571 1378837045 /nfs/dbraw/zinc/83/70/45/1378837045.db2.gz XSZUHEBUJZYZTD-UXHICEINSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001284066385 1379423201 /nfs/dbraw/zinc/42/32/01/1379423201.db2.gz GJTLXFWHZREIHX-CTNGQTDRSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001284071824 1379435275 /nfs/dbraw/zinc/43/52/75/1379435275.db2.gz ZYSKCSNLXUMWIK-SSPLKJMRSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@@]2(NC(=O)C34CC[NH+](CC3)C4)CCC[C@H]12 ZINC001284072116 1379435970 /nfs/dbraw/zinc/43/59/70/1379435970.db2.gz PVMHLYQDHBYUCL-UWJYYQICSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[C@@H]3CC[NH+](C)C3)CCC[C@@H]12 ZINC001284072314 1379436248 /nfs/dbraw/zinc/43/62/48/1379436248.db2.gz QYNOLBIXLOXEBE-NLWGTHIKSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001284132365 1379515771 /nfs/dbraw/zinc/51/57/71/1379515771.db2.gz PYKMBOSHEDNRED-DDUKWOAZSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001284642683 1380049218 /nfs/dbraw/zinc/04/92/18/1380049218.db2.gz OPUJNGPSORKNMC-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001328049427 1388653710 /nfs/dbraw/zinc/65/37/10/1388653710.db2.gz FXKFMKAHYXNTCU-QHHIFSJYSA-N 2 0 335.536 3.186 10 0 EGAERP O=C(CCc1c[nH]cn1)NCC1=CC[N@H+](CC2CCCCCC2)CC1 ZINC001284920414 1380311495 /nfs/dbraw/zinc/31/14/95/1380311495.db2.gz FXLQTAXOUFZIGX-UHFFFAOYSA-N 2 0 344.503 3.061 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1F ZINC001328281405 1388712327 /nfs/dbraw/zinc/71/23/27/1388712327.db2.gz COGUBGMHEUTBBT-FUHWJXTLSA-N 2 0 349.494 3.027 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@@H]([NH+](C)CC)C2)cc1 ZINC001160153590 1382018021 /nfs/dbraw/zinc/01/80/21/1382018021.db2.gz OLZLTCUUIXTLQR-LJQANCHMSA-N 2 0 331.504 3.085 10 0 EGAERP CCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001291944841 1382162481 /nfs/dbraw/zinc/16/24/81/1382162481.db2.gz FGEWALDSKJCWEG-BJLQDIEVSA-N 2 0 343.515 3.012 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCC2=CCCCC2)CC[N@@H+]1C ZINC001328737689 1388834991 /nfs/dbraw/zinc/83/49/91/1388834991.db2.gz PNOJPOBQZBZGIO-MISYRCLQSA-N 2 0 347.547 3.140 10 0 EGAERP CCCN(CC[NH+]1CCCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001298899596 1383443129 /nfs/dbraw/zinc/44/31/29/1383443129.db2.gz XAQAADCPGVFXCJ-RBUKOAKNSA-N 2 0 335.536 3.118 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CC[C@H](c3ccccc3)O2)C1 ZINC001167601534 1383686394 /nfs/dbraw/zinc/68/63/94/1383686394.db2.gz DGVBIIHEYUKSPN-NJDAHSKKSA-N 2 0 346.515 3.339 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCC[C@H]1NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001316598077 1384464319 /nfs/dbraw/zinc/46/43/19/1384464319.db2.gz HXZACVJGHHPZHJ-QRVBRYPASA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001316632314 1384495449 /nfs/dbraw/zinc/49/54/49/1384495449.db2.gz DRJXCSYQBUYSMB-MISYRCLQSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001316650844 1384505371 /nfs/dbraw/zinc/50/53/71/1384505371.db2.gz ZOBVNIKHAJXQHC-ZWKOTPCHSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001316719043 1384537166 /nfs/dbraw/zinc/53/71/66/1384537166.db2.gz FZRDQCJUKLBQII-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001316802400 1384589759 /nfs/dbraw/zinc/58/97/59/1384589759.db2.gz LQSATPWMNXSTPN-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001316809555 1384605499 /nfs/dbraw/zinc/60/54/99/1384605499.db2.gz CQXCROCVFKELGB-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CCCC2CCC2)CC(C)(C)C1 ZINC001316812448 1384611119 /nfs/dbraw/zinc/61/11/19/1384611119.db2.gz WMHZOROGVMZCCG-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC(C)(C)C1 ZINC001316812596 1384612148 /nfs/dbraw/zinc/61/21/48/1384612148.db2.gz ZEZRZAHEXCETLE-KRWDZBQOSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@H]1CCCc2ccccc21)[NH+](C)C ZINC001316831063 1384624165 /nfs/dbraw/zinc/62/41/65/1384624165.db2.gz UXDLXURQAKQIGC-PMACEKPBSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](C)CC2CCCCC2)ccc2c[nH+]cn21 ZINC001316833884 1384624652 /nfs/dbraw/zinc/62/46/52/1384624652.db2.gz WGBZPEPWULAXGC-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001316845547 1384633899 /nfs/dbraw/zinc/63/38/99/1384633899.db2.gz QSRLSAZBTAWCNQ-OTWHNJEPSA-N 2 0 345.531 3.224 10 0 EGAERP CC1CCC(C[NH+]2CCC(N(C)C(=O)CCC[NH+](C)C)CC2)CC1 ZINC001316935697 1384707252 /nfs/dbraw/zinc/70/72/52/1384707252.db2.gz LQVABDSOJBFXSS-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001329041237 1388941895 /nfs/dbraw/zinc/94/18/95/1388941895.db2.gz ZPSZRPSPZRHHDC-HOTGVXAUSA-N 2 0 349.494 3.073 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001317025866 1384792940 /nfs/dbraw/zinc/79/29/40/1384792940.db2.gz VYIHGEPZNOYIGF-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001317082286 1384846189 /nfs/dbraw/zinc/84/61/89/1384846189.db2.gz MRHCXWJUEVLXJY-ZHALLVOQSA-N 2 0 335.536 3.066 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317088028 1384849812 /nfs/dbraw/zinc/84/98/12/1384849812.db2.gz OXQUBAWYDDIWQI-BXWFABGCSA-N 2 0 341.515 3.016 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001317121481 1384879554 /nfs/dbraw/zinc/87/95/54/1384879554.db2.gz IHDKXNOHCLJKIJ-FFZOFVMBSA-N 2 0 345.531 3.450 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001317124122 1384882290 /nfs/dbraw/zinc/88/22/90/1384882290.db2.gz AGTDKVMOHJFTFM-GEALJGNFSA-N 2 0 345.531 3.448 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001317149474 1384916560 /nfs/dbraw/zinc/91/65/60/1384916560.db2.gz IUKNMRKPBWIAGQ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001317220907 1385001405 /nfs/dbraw/zinc/00/14/05/1385001405.db2.gz OCUPRUJEAXGBMN-ABHNRTSZSA-N 2 0 339.568 3.416 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCC(C)(C)C ZINC001317241250 1385014549 /nfs/dbraw/zinc/01/45/49/1385014549.db2.gz LCXTVHJBWZABRC-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CC(=O)NCCC[C@H]1CCC[NH+]1CCC(C)(C)C)C1CCC1 ZINC001317422248 1385129619 /nfs/dbraw/zinc/12/96/19/1385129619.db2.gz GWOAEOZERNATOB-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001317426043 1385131805 /nfs/dbraw/zinc/13/18/05/1385131805.db2.gz DZLLELCDWNORCD-WOJBJXKFSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](C)CCCC2CCCC2)C1 ZINC001317467559 1385161066 /nfs/dbraw/zinc/16/10/66/1385161066.db2.gz VNWCWMGBYXFKJV-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001317501368 1385203691 /nfs/dbraw/zinc/20/36/91/1385203691.db2.gz HYECRLNUDJWKLJ-FMEUAVTJSA-N 2 0 347.547 3.330 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317534671 1385264737 /nfs/dbraw/zinc/26/47/37/1385264737.db2.gz DBUWGQAJBNTPAK-RBUKOAKNSA-N 2 0 345.531 3.143 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001317723100 1385424107 /nfs/dbraw/zinc/42/41/07/1385424107.db2.gz DFVBLVBOXPTNDH-YLJYHZDGSA-N 2 0 345.531 3.212 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001317770879 1385462344 /nfs/dbraw/zinc/46/23/44/1385462344.db2.gz WUWUHUVRRBZINT-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCCC(C)C)C1 ZINC001317810802 1385509099 /nfs/dbraw/zinc/50/90/99/1385509099.db2.gz FRUJTSQSBNDVJT-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001317876509 1385555450 /nfs/dbraw/zinc/55/54/50/1385555450.db2.gz ZHKXRGGQXITXGZ-AQIYZVDXSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001317993786 1385605042 /nfs/dbraw/zinc/60/50/42/1385605042.db2.gz CNTNPZGRBZMZLF-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCC1)[NH+](CC)CC ZINC001318217285 1385631084 /nfs/dbraw/zinc/63/10/84/1385631084.db2.gz ZCNASYOKUQVWPD-UFYCRDLUSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC(C)C)C2)C1 ZINC001318425999 1385681733 /nfs/dbraw/zinc/68/17/33/1385681733.db2.gz RPDOAYKLJBFBIB-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]CC2=CCCCC2)CCCC1 ZINC001318670166 1385828231 /nfs/dbraw/zinc/82/82/31/1385828231.db2.gz HSTXOFIDIKYPOX-ROUUACIJSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001318792236 1385855412 /nfs/dbraw/zinc/85/54/12/1385855412.db2.gz CMLWMRLVUARLCJ-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCC3)CC2)CC[N@@H+]1C ZINC001318968991 1385902406 /nfs/dbraw/zinc/90/24/06/1385902406.db2.gz KYZOVZUCPWUSKT-LEAZDLGRSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001318976942 1385905948 /nfs/dbraw/zinc/90/59/48/1385905948.db2.gz SFQUPICRNLVUAI-MPFJMEAESA-N 2 0 337.552 3.338 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCCC(C)(C)C)cc1 ZINC001318998381 1385917110 /nfs/dbraw/zinc/91/71/10/1385917110.db2.gz GQZVAQRBNXVFEA-LJQANCHMSA-N 2 0 345.531 3.313 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CCC2CCCC2)CC1 ZINC001319046089 1385944522 /nfs/dbraw/zinc/94/45/22/1385944522.db2.gz YDPYCCQVYVBFOF-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CC1)c1ccccc1 ZINC001319124412 1385967934 /nfs/dbraw/zinc/96/79/34/1385967934.db2.gz LKIKNCHWCPOUOT-UXHICEINSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1)c1cccc(F)c1 ZINC001319388858 1386098546 /nfs/dbraw/zinc/09/85/46/1386098546.db2.gz CPRIETVSQMXWDU-MRXNPFEDSA-N 2 0 347.478 3.001 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)cc1 ZINC001319524606 1386159624 /nfs/dbraw/zinc/15/96/24/1386159624.db2.gz HFNCAQUSHAVXQF-SJORKVTESA-N 2 0 333.520 3.259 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001319591192 1386193804 /nfs/dbraw/zinc/19/38/04/1386193804.db2.gz ZLIPTIFBLASXOX-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319620830 1386215074 /nfs/dbraw/zinc/21/50/74/1386215074.db2.gz PZPNWDNFFLGCCG-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C(C)C)NC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001319644370 1386228543 /nfs/dbraw/zinc/22/85/43/1386228543.db2.gz ZBCVCLPDJPQAPT-ROUUACIJSA-N 2 0 325.541 3.026 10 0 EGAERP C[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001319688233 1386252780 /nfs/dbraw/zinc/25/27/80/1386252780.db2.gz ATEVHBVPMZYSIF-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1noc(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)n1 ZINC001319767358 1386287072 /nfs/dbraw/zinc/28/70/72/1386287072.db2.gz MIKFQPYQCCHTBT-FUHWJXTLSA-N 2 0 342.487 3.236 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775277 1386291414 /nfs/dbraw/zinc/29/14/14/1386291414.db2.gz SYUZWVCAEOMNBY-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775281 1386291499 /nfs/dbraw/zinc/29/14/99/1386291499.db2.gz SYUZWVCAEOMNBY-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001319777531 1386292282 /nfs/dbraw/zinc/29/22/82/1386292282.db2.gz HZHDFLDGTUJTQI-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CC2)cc1 ZINC001319782451 1386294691 /nfs/dbraw/zinc/29/46/91/1386294691.db2.gz YDTIHBHVLHPJCV-FQEVSTJZSA-N 2 0 343.515 3.133 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001319887624 1386362674 /nfs/dbraw/zinc/36/26/74/1386362674.db2.gz HHLYLTRJXFPLCW-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CCC(C)CC1 ZINC001319919500 1386391402 /nfs/dbraw/zinc/39/14/02/1386391402.db2.gz VSSUACDAGWVLLX-DAWZGUTISA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001320186131 1386552445 /nfs/dbraw/zinc/55/24/45/1386552445.db2.gz SPEKCQBHDZITDF-MOPGFXCFSA-N 2 0 335.536 3.093 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320755375 1386709271 /nfs/dbraw/zinc/70/92/71/1386709271.db2.gz HZDYTYIMBXYFQK-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320809498 1386724891 /nfs/dbraw/zinc/72/48/91/1386724891.db2.gz VQLGMOKAAUFEDB-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320826412 1386729554 /nfs/dbraw/zinc/72/95/54/1386729554.db2.gz IIXXTMYFPHSGCP-JZXOWHBKSA-N 2 0 349.494 3.055 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccc(F)cc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001320826410 1386729691 /nfs/dbraw/zinc/72/96/91/1386729691.db2.gz IIXXTMYFPHSGCP-BQFCYCMXSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001698665501 1406316640 /nfs/dbraw/zinc/31/66/40/1406316640.db2.gz ZJGPYAIYFRXFTC-XLIONFOSSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001321188950 1386835830 /nfs/dbraw/zinc/83/58/30/1386835830.db2.gz KQGGKUPDLNKWSW-YWFTZVROSA-N 2 0 343.515 3.227 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001321415188 1386897492 /nfs/dbraw/zinc/89/74/92/1386897492.db2.gz CYKCCDMZXDZDRR-QHHIFSJYSA-N 2 0 333.520 3.012 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C/C[NH2+]CC2=CCCCC2)c1 ZINC001321415125 1386897534 /nfs/dbraw/zinc/89/75/34/1386897534.db2.gz CGYKYEBFIYBSQG-VOTSOKGWSA-N 2 0 341.499 3.124 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](CC[NH2+]CCC3CC3)C2)CC1 ZINC001698684285 1406331322 /nfs/dbraw/zinc/33/13/22/1406331322.db2.gz YWGYFZBMLOVANT-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001329255769 1389036537 /nfs/dbraw/zinc/03/65/37/1389036537.db2.gz MUKSSXLYUJFTOM-AATRIKPKSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC(C)(C)C)C(=O)CC1CC[NH+](C)CC1 ZINC001329342290 1389069034 /nfs/dbraw/zinc/06/90/34/1389069034.db2.gz UIESDZJXDUHCSB-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC/C=C\c2ccccc2)CC1 ZINC001698712405 1406355171 /nfs/dbraw/zinc/35/51/71/1406355171.db2.gz YQJGWYXMLGMXOX-JHYFLENFSA-N 2 0 343.515 3.059 10 0 EGAERP CCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCCC1 ZINC001329829987 1389233235 /nfs/dbraw/zinc/23/32/35/1389233235.db2.gz WQSXBYNVPXWWFV-UHFFFAOYSA-N 2 0 328.460 3.075 10 0 EGAERP CCCC[C@@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001329900714 1389250764 /nfs/dbraw/zinc/25/07/64/1389250764.db2.gz LBSSYMFELGFNLV-ICSRJNTNSA-N 2 0 343.515 3.034 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CCC1 ZINC001329923049 1389260741 /nfs/dbraw/zinc/26/07/41/1389260741.db2.gz HOCVADUEKIJOEO-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001330467645 1389421985 /nfs/dbraw/zinc/42/19/85/1389421985.db2.gz NPFOAHTYRBYLBO-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](C[C@@H](C)CC)C2)CC1 ZINC001698737828 1406388766 /nfs/dbraw/zinc/38/87/66/1406388766.db2.gz IGOPQBOTMZJCTQ-SFHVURJKSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1 ZINC001331576254 1389808815 /nfs/dbraw/zinc/80/88/15/1389808815.db2.gz NQJAIYGWCNZJFS-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1nc[nH]c1CC(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001331629120 1389836126 /nfs/dbraw/zinc/83/61/26/1389836126.db2.gz POPCPHPTQPHDCE-OAHLLOKOSA-N 2 0 342.487 3.021 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C ZINC001331643526 1389842559 /nfs/dbraw/zinc/84/25/59/1389842559.db2.gz IOEWEXGAZHFRMJ-KRWDZBQOSA-N 2 0 333.520 3.087 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCN(C)[C@@H]1c1ccc(F)cc1 ZINC001331820260 1389879692 /nfs/dbraw/zinc/87/96/92/1389879692.db2.gz GSFJKRUYPRKODQ-PNHOKKKMSA-N 2 0 342.462 3.084 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001332050520 1389958930 /nfs/dbraw/zinc/95/89/30/1389958930.db2.gz PUXNYUOIXNUJLT-RTBURBONSA-N 2 0 345.531 3.033 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1CCCC1)CC2 ZINC001332108982 1389988169 /nfs/dbraw/zinc/98/81/69/1389988169.db2.gz DKDUPDWMWAMMIE-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]21 ZINC001332141963 1390005308 /nfs/dbraw/zinc/00/53/08/1390005308.db2.gz UDEJRMCFPINWSE-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)[C@H]2C1)C1CCC1 ZINC001332141750 1390005455 /nfs/dbraw/zinc/00/54/55/1390005455.db2.gz SSWDWFYGQXVBFG-WDSOQIARSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCC(C)(C)C)[C@H]2C1)C1CCC1 ZINC001332141751 1390005527 /nfs/dbraw/zinc/00/55/27/1390005527.db2.gz SSWDWFYGQXVBFG-YTQUADARSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001332343532 1390092217 /nfs/dbraw/zinc/09/22/17/1390092217.db2.gz ZBYCTCLFBWYGQR-FXAWDEMLSA-N 2 0 345.531 3.282 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H]2Cc3ccc(Cl)cc3C2)C1 ZINC001332434915 1390115695 /nfs/dbraw/zinc/11/56/95/1390115695.db2.gz STIWHMWALSVFJE-SLFFLAALSA-N 2 0 326.871 3.456 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)Cc1c(C)cccc1C)C(C)C)[NH+](C)C ZINC001332710953 1390163834 /nfs/dbraw/zinc/16/38/34/1390163834.db2.gz NNIPXDMDZCYREK-HXUWFJFHSA-N 2 0 347.547 3.312 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001332786681 1390188277 /nfs/dbraw/zinc/18/82/77/1390188277.db2.gz CWLMXTYFKVMSSY-OALUTQOASA-N 2 0 349.563 3.480 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001332984673 1390229785 /nfs/dbraw/zinc/22/97/85/1390229785.db2.gz GOKWIGYUUIQSRQ-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001333070053 1390244790 /nfs/dbraw/zinc/24/47/90/1390244790.db2.gz AWLBCPPYUIQUGX-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2=CC[N@H+](CC3CCC3)CC2)CCCCC1 ZINC001333379331 1390293141 /nfs/dbraw/zinc/29/31/41/1390293141.db2.gz ULBVQQCQDMWDBE-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP Cc1cc(NC(=O)N2CCC[C@H](C[NH+]3CCC(C)CC3)C2)cc(C)n1 ZINC001341006056 1390423830 /nfs/dbraw/zinc/42/38/30/1390423830.db2.gz LNQAEVVIUUBELL-GOSISDBHSA-N 2 0 344.503 3.096 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@H](C(=O)Nc3cccc(C[NH+]4CCCC4)c3)C[N@@H+]2C1 ZINC001346270637 1390919169 /nfs/dbraw/zinc/91/91/69/1390919169.db2.gz BFCJXHDFQREXJP-KPFFTGBYSA-N 2 0 341.499 3.341 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001479496112 1392257078 /nfs/dbraw/zinc/25/70/78/1392257078.db2.gz XUPOKBDDTHFXSZ-KSZLIROESA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](C)[C@@H](C)c2cccc(F)c2)CC[N@@H+]1C ZINC001479771857 1392379876 /nfs/dbraw/zinc/37/98/76/1392379876.db2.gz SQKSFPHJBYVJBR-ZYSHUDEJSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001479788460 1392390576 /nfs/dbraw/zinc/39/05/76/1392390576.db2.gz SMHNLJMHOALGJW-MRXNPFEDSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479821022 1392411588 /nfs/dbraw/zinc/41/15/88/1392411588.db2.gz DHIDGWQKMIDHBV-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001479905265 1392473017 /nfs/dbraw/zinc/47/30/17/1392473017.db2.gz YWYLMIMVVRVPJH-ICSRJNTNSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001698860191 1406570181 /nfs/dbraw/zinc/57/01/81/1406570181.db2.gz HQFSAGBYAMRWRP-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CCC(CC)C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](CC)CC ZINC001480099733 1392584623 /nfs/dbraw/zinc/58/46/23/1392584623.db2.gz IZDYCXXNFSFFKW-OTWHNJEPSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC[NH+]1CCCC1 ZINC001480102996 1392586483 /nfs/dbraw/zinc/58/64/83/1392586483.db2.gz DMHZFZUAUCGXJX-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC001480188108 1392618392 /nfs/dbraw/zinc/61/83/92/1392618392.db2.gz FMDOTGSHBBCGMV-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccc(C(C)C)cc2)C1 ZINC001480233594 1392629947 /nfs/dbraw/zinc/62/99/47/1392629947.db2.gz IHWVQRWZEAMMHI-FFZOFVMBSA-N 2 0 345.531 3.450 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+](CCCC2CCC2)C1 ZINC001480255208 1392640372 /nfs/dbraw/zinc/64/03/72/1392640372.db2.gz RMFIMIADDROEHM-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001480266900 1392651462 /nfs/dbraw/zinc/65/14/62/1392651462.db2.gz AYQQTLPLAUVBNE-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480283412 1392658804 /nfs/dbraw/zinc/65/88/04/1392658804.db2.gz JOFGQVKGFFAZRK-DSQZMVHQSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1)[NH+](C)C ZINC001480295306 1392663828 /nfs/dbraw/zinc/66/38/28/1392663828.db2.gz ZQQXSTPXDPKDMM-ZWKOTPCHSA-N 2 0 339.568 3.227 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CC(CC)CC ZINC001480349894 1392699686 /nfs/dbraw/zinc/69/96/86/1392699686.db2.gz LYEDMGGKWPLSIQ-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480373545 1392715948 /nfs/dbraw/zinc/71/59/48/1392715948.db2.gz QROZNDLMBLRAKW-QZPVUJMKSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001480384823 1392729180 /nfs/dbraw/zinc/72/91/80/1392729180.db2.gz ATHAESMGZWEWPV-AZUAARDMSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001480410555 1392746424 /nfs/dbraw/zinc/74/64/24/1392746424.db2.gz NFHCWQGPQMNLHT-UHFFFAOYSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698872979 1406593632 /nfs/dbraw/zinc/59/36/32/1406593632.db2.gz HCVJECPCJOMANP-IEBWSBKVSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709843 1392872174 /nfs/dbraw/zinc/87/21/74/1392872174.db2.gz GWIPMGZUKAESCQ-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480710362 1392872551 /nfs/dbraw/zinc/87/25/51/1392872551.db2.gz VUZQSBIYTFMQEJ-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001480728620 1392890887 /nfs/dbraw/zinc/89/08/87/1392890887.db2.gz BLJMOKUMQIJCFH-LXORQPIJSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001480765667 1392920670 /nfs/dbraw/zinc/92/06/70/1392920670.db2.gz QRGBWBVCPLSFAM-MBOZVWFJSA-N 2 0 345.531 3.135 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001480830431 1392970565 /nfs/dbraw/zinc/97/05/65/1392970565.db2.gz VZUIVTMSRJZMET-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC[N@H+](CC2=CCCCC2)C2CC2)C1 ZINC001481194392 1393147640 /nfs/dbraw/zinc/14/76/40/1393147640.db2.gz HFVQIMUDFJBBCP-QUCCMNQESA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCCC1 ZINC001698881882 1406612090 /nfs/dbraw/zinc/61/20/90/1406612090.db2.gz PKFFQCZLEXBKJC-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001481292293 1393159558 /nfs/dbraw/zinc/15/95/58/1393159558.db2.gz FYIRLUVZBMBMEJ-UHFFFAOYSA-N 2 0 345.531 3.380 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CC1CCCC1 ZINC001481351011 1393173767 /nfs/dbraw/zinc/17/37/67/1393173767.db2.gz WKUDAGHEWXCNSZ-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001481365788 1394205323 /nfs/dbraw/zinc/20/53/23/1394205323.db2.gz ALRHHQPCKHMCOY-JJRFVKOUSA-N 2 0 343.515 3.130 10 0 EGAERP CCCN(C(=O)C12CC[NH+](CC1)C2)[C@@H]1CC[N@H+](C[C@H](C)CC(C)C)C1 ZINC001481410546 1394267921 /nfs/dbraw/zinc/26/79/21/1394267921.db2.gz JJAHBPZOOIXSQY-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001698946232 1406686050 /nfs/dbraw/zinc/68/60/50/1406686050.db2.gz OFDGSETUGLWRRO-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490765841 1394328719 /nfs/dbraw/zinc/32/87/19/1394328719.db2.gz ITSZPHLLVAVFAI-ICSRJNTNSA-N 2 0 349.563 3.220 10 0 EGAERP Cc1c(C(=O)N[C@@H]2CCC[N@@H+](CCCC(C)C)C2)ccc2c[nH+]cn21 ZINC001481526797 1394378720 /nfs/dbraw/zinc/37/87/20/1394378720.db2.gz IMWWTYYEFYMHLI-QGZVFWFLSA-N 2 0 342.487 3.273 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001481530021 1394384974 /nfs/dbraw/zinc/38/49/74/1394384974.db2.gz CNCKLBTXJAQBHO-PXDRNWIDSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCC3)CC[C@@H]21 ZINC001490981749 1394392048 /nfs/dbraw/zinc/39/20/48/1394392048.db2.gz JTZYAKQJTDBODM-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481537089 1394397595 /nfs/dbraw/zinc/39/75/95/1394397595.db2.gz CGFAUQMKIAEBIL-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001481538036 1394399040 /nfs/dbraw/zinc/39/90/40/1394399040.db2.gz CWZSXBKDICNJQE-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001491048238 1394411111 /nfs/dbraw/zinc/41/11/11/1394411111.db2.gz RMXNNHWUKPQXBW-LLIMGDRFSA-N 2 0 347.547 3.377 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001491109515 1394431192 /nfs/dbraw/zinc/43/11/92/1394431192.db2.gz IEONOEANIJXYJB-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001481678346 1394444350 /nfs/dbraw/zinc/44/43/50/1394444350.db2.gz KPZVELJGUCXFKL-QYZOEREBSA-N 2 0 335.536 3.116 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001491156139 1394453258 /nfs/dbraw/zinc/45/32/58/1394453258.db2.gz IQFPAQBYRRTJRU-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001491190266 1394464459 /nfs/dbraw/zinc/46/44/59/1394464459.db2.gz JVWIHUGAVVBAML-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CCC2CCCCC2)C1 ZINC001491222572 1394480546 /nfs/dbraw/zinc/48/05/46/1394480546.db2.gz RLZMDEUMIQPZNP-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC)[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001481777183 1394521215 /nfs/dbraw/zinc/52/12/15/1394521215.db2.gz FSTPQISLNNOZKL-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812037 1394541152 /nfs/dbraw/zinc/54/11/52/1394541152.db2.gz ZHHCRLRUFXIOCJ-RBUKOAKNSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481821955 1394545684 /nfs/dbraw/zinc/54/56/84/1394545684.db2.gz VNFIRRMEPOJFCE-WOJBJXKFSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]Cc1ccsc1 ZINC001481828312 1394548283 /nfs/dbraw/zinc/54/82/83/1394548283.db2.gz RSCZRMIQFSVVPT-OAHLLOKOSA-N 2 0 342.468 3.002 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001481838479 1394552763 /nfs/dbraw/zinc/55/27/63/1394552763.db2.gz CHSZXVINERWYIY-IBGZPJMESA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001481904478 1394589659 /nfs/dbraw/zinc/58/96/59/1394589659.db2.gz QQXQWFOKLWSLKU-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001481990493 1394651461 /nfs/dbraw/zinc/65/14/61/1394651461.db2.gz AORGGRINQZGOLA-HXUWFJFHSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001482007500 1394667669 /nfs/dbraw/zinc/66/76/69/1394667669.db2.gz LYANSUQMXJHSFV-UHFFFAOYSA-N 2 0 334.508 3.096 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001482020359 1394676983 /nfs/dbraw/zinc/67/69/83/1394676983.db2.gz CDRFHPOLSBJXDS-BRWVUGGUSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CC(C)(C)C1 ZINC001698962373 1406717315 /nfs/dbraw/zinc/71/73/15/1406717315.db2.gz PRUYPBQNAHFLHH-QZTJIDSGSA-N 2 0 337.552 3.026 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+][C@H]2CCc3ccccc32)CCCC1 ZINC001482238098 1394834705 /nfs/dbraw/zinc/83/47/05/1394834705.db2.gz GNTLULUYGAFWAY-IBGZPJMESA-N 2 0 343.515 3.033 10 0 EGAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001482246351 1394844488 /nfs/dbraw/zinc/84/44/88/1394844488.db2.gz JBNCWJGQKVPNOW-ONEGZZNKSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001698965693 1406723790 /nfs/dbraw/zinc/72/37/90/1406723790.db2.gz JKCQDHSPEWXJQE-PMACEKPBSA-N 2 0 349.563 3.338 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc2cccc(C)c2)C1 ZINC001482322520 1394892953 /nfs/dbraw/zinc/89/29/53/1394892953.db2.gz BABULNTUKBPDKH-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](CC(C)C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001482386093 1394947370 /nfs/dbraw/zinc/94/73/70/1394947370.db2.gz DMHQTBCIKPEUSG-WBVHZDCISA-N 2 0 344.503 3.423 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001483846935 1395113406 /nfs/dbraw/zinc/11/34/06/1395113406.db2.gz DRKNZLQKYXHXRM-ICSRJNTNSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccc(C)cc1)[NH+](CC)CC ZINC001483945427 1395156479 /nfs/dbraw/zinc/15/64/79/1395156479.db2.gz WWDHPIALOICUDO-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001698975799 1406745176 /nfs/dbraw/zinc/74/51/76/1406745176.db2.gz PQDYLRGVMHYHPT-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001484057937 1395220547 /nfs/dbraw/zinc/22/05/47/1395220547.db2.gz MWURTMWGMTUIGB-FPOVZHCZSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@](C)(C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001484116270 1395260317 /nfs/dbraw/zinc/26/03/17/1395260317.db2.gz YQWRULWQTWADAS-OAQYLSRUSA-N 2 0 349.563 3.293 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484142250 1395278750 /nfs/dbraw/zinc/27/87/50/1395278750.db2.gz WLYZRYKLVKILQO-GHOSXJJBSA-N 2 0 349.563 3.293 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484172781 1395315163 /nfs/dbraw/zinc/31/51/63/1395315163.db2.gz ARTLAXBWBJBHAW-AZUAARDMSA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001484562826 1395448541 /nfs/dbraw/zinc/44/85/41/1395448541.db2.gz HERFILQSNKLVSK-FUHWJXTLSA-N 2 0 331.504 3.095 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001484637292 1395457026 /nfs/dbraw/zinc/45/70/26/1395457026.db2.gz XVPUCHGEQMVUOI-SFHVURJKSA-N 2 0 347.547 3.070 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001484728407 1395492328 /nfs/dbraw/zinc/49/23/28/1395492328.db2.gz OBXSLIXCTDYXFI-DSQZMVHQSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[N@H+](C)CCCN(C)C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001484760390 1395512464 /nfs/dbraw/zinc/51/24/64/1395512464.db2.gz DUKYKTASTLBXQQ-GOSISDBHSA-N 2 0 325.541 3.076 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)[C@@H](C)C1 ZINC001484985149 1395627148 /nfs/dbraw/zinc/62/71/48/1395627148.db2.gz CGAGDLJSTDUGSI-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)[C@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185436 1395691157 /nfs/dbraw/zinc/69/11/57/1395691157.db2.gz FCDWRERNQHAISO-IRXDYDNUSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@@H]([NH2+]CC1CCC(C)(C)CC1)[C@H](C)NC(=O)C1CC[NH+](C)CC1 ZINC001485186070 1395692646 /nfs/dbraw/zinc/69/26/46/1395692646.db2.gz BLYCFKZRMDJHKE-CVEARBPZSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001485209660 1395706884 /nfs/dbraw/zinc/70/68/84/1395706884.db2.gz XYOBSBQAGNTONG-IRXDYDNUSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001485382531 1395866389 /nfs/dbraw/zinc/86/63/89/1395866389.db2.gz GMTBLTPXPTYVMH-ROUUACIJSA-N 2 0 345.531 3.403 10 0 EGAERP C[C@H](c1ccc(C(C)(C)C)cc1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001698994999 1406791633 /nfs/dbraw/zinc/79/16/33/1406791633.db2.gz XVVBKYVQMLJPGV-QGZVFWFLSA-N 2 0 347.547 3.387 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1)[NH+](C)C ZINC001485455808 1395925602 /nfs/dbraw/zinc/92/56/02/1395925602.db2.gz WNKCPIPGJGMFHQ-SFHVURJKSA-N 2 0 349.494 3.075 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485461259 1395935831 /nfs/dbraw/zinc/93/58/31/1395935831.db2.gz GMASVOVOPCHWAN-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001485585073 1396062174 /nfs/dbraw/zinc/06/21/74/1396062174.db2.gz JZSJTLXUKVDFDT-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC001485586758 1396063697 /nfs/dbraw/zinc/06/36/97/1396063697.db2.gz QKHSRKSPYVOHMD-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CCC[NH2+]CCC(C)(C)C)NC(=O)CC1CC[NH+](C)CC1 ZINC001485741245 1396127954 /nfs/dbraw/zinc/12/79/54/1396127954.db2.gz YNXCTMATZNCSJO-MRXNPFEDSA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CC3(CCC3)C1)CC2)[NH+](C)C ZINC001486146350 1396179800 /nfs/dbraw/zinc/17/98/00/1396179800.db2.gz MYGFFJADCAWLSS-WFXMLNOXSA-N 2 0 347.547 3.020 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)c(C)c1 ZINC001486222180 1396184449 /nfs/dbraw/zinc/18/44/49/1396184449.db2.gz XNPACCAPJPKYPI-AZUAARDMSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2C[C@@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242511 1396188117 /nfs/dbraw/zinc/18/81/17/1396188117.db2.gz LQYIPBFJELEPTN-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001502543079 1396204432 /nfs/dbraw/zinc/20/44/32/1396204432.db2.gz CGZMZXRMHDYFRX-JPKVPHHRSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001492128915 1396306421 /nfs/dbraw/zinc/30/64/21/1396306421.db2.gz ILONKGYQNDBQQD-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCC1 ZINC001492144310 1396308983 /nfs/dbraw/zinc/30/89/83/1396308983.db2.gz VDLZGQYKBYLDDT-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1c(C)c(C)c(C[NH2+]CCN(C)C(=O)CCC[NH+](C)C)c(C)c1C ZINC001493676808 1396341469 /nfs/dbraw/zinc/34/14/69/1396341469.db2.gz OMNRHVGYVPLGCP-UHFFFAOYSA-N 2 0 347.547 3.119 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001494083061 1396357299 /nfs/dbraw/zinc/35/72/99/1396357299.db2.gz LUNMUVQYZKUFEU-IRXDYDNUSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2=CCCCC2)C1)[NH+](C)C ZINC001494146439 1396382417 /nfs/dbraw/zinc/38/24/17/1396382417.db2.gz RRIZWMJOJUJFMW-UXHICEINSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(C[NH+](C)[C@@H](C)c2ccccc2)CC1 ZINC001494214271 1396403822 /nfs/dbraw/zinc/40/38/22/1396403822.db2.gz HVABCDSWRXDNQA-SFHVURJKSA-N 2 0 345.531 3.258 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCC2)C1 ZINC001495953491 1396576792 /nfs/dbraw/zinc/57/67/92/1396576792.db2.gz CUCHLHSXTSZZOQ-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001496415913 1396699450 /nfs/dbraw/zinc/69/94/50/1396699450.db2.gz REAGWVOQFQHVNC-GUKTUGNZSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]([NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001496428352 1396704822 /nfs/dbraw/zinc/70/48/22/1396704822.db2.gz NBADCEJCAZFJTL-QUCCMNQESA-N 2 0 343.515 3.204 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CCCC[NH+]2C)c1 ZINC001496730508 1396725704 /nfs/dbraw/zinc/72/57/04/1396725704.db2.gz UTZFPRFGYSGECZ-UYAOXDASSA-N 2 0 345.531 3.239 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001689052573 1396848318 /nfs/dbraw/zinc/84/83/18/1396848318.db2.gz OAEQCNBCWDABCU-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497889679 1396873606 /nfs/dbraw/zinc/87/36/06/1396873606.db2.gz MLSRVCLRKNQLSS-VQIMIIECSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001497994028 1396907619 /nfs/dbraw/zinc/90/76/19/1396907619.db2.gz VUJAQYIDLBECAP-QUCCMNQESA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C ZINC001689120001 1396926275 /nfs/dbraw/zinc/92/62/75/1396926275.db2.gz KBRKIIAEDLPVSP-GUDVDZBRSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](Cc2ccc(F)cc2)[C@@H]1CC ZINC001689193590 1396967990 /nfs/dbraw/zinc/96/79/90/1396967990.db2.gz AQDGYHKAKFNSDA-RBUKOAKNSA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001689197967 1396968997 /nfs/dbraw/zinc/96/89/97/1396968997.db2.gz KUVACJZKEWGPIV-ZCNNSNEGSA-N 2 0 349.563 3.266 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001689271405 1397005898 /nfs/dbraw/zinc/00/58/98/1397005898.db2.gz IXYVNPLZCTZRNQ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498489081 1397033288 /nfs/dbraw/zinc/03/32/88/1397033288.db2.gz VRZMPKMYEMOABT-RBUKOAKNSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001689336663 1397041736 /nfs/dbraw/zinc/04/17/36/1397041736.db2.gz XGPRFZNHJRALNT-AEFFLSMTSA-N 2 0 349.544 3.093 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001699027166 1406863473 /nfs/dbraw/zinc/86/34/73/1406863473.db2.gz IPKIJYPUGAWPGM-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001689810424 1404150381 /nfs/dbraw/zinc/15/03/81/1404150381.db2.gz ABLFXTQQMLGMRQ-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1cccc(F)c1 ZINC001689890695 1404187968 /nfs/dbraw/zinc/18/79/68/1404187968.db2.gz CGDGRSFTBHLOJX-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001690114003 1404309753 /nfs/dbraw/zinc/30/97/53/1404309753.db2.gz ABTGUDHMRGTEOQ-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123093 1404317080 /nfs/dbraw/zinc/31/70/80/1404317080.db2.gz IPEXCDCVOLQSMC-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@@H](C)C2)C1 ZINC001690194696 1404401218 /nfs/dbraw/zinc/40/12/18/1404401218.db2.gz MCIUCYYZFMROEH-GLCUZYPYSA-N 2 0 349.563 3.245 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001690199331 1404410528 /nfs/dbraw/zinc/41/05/28/1404410528.db2.gz PBTCWEJBJUCPSH-RLWBPELLSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001690215154 1404423407 /nfs/dbraw/zinc/42/34/07/1404423407.db2.gz DJIFNZHIGRWWCP-ZGXWSNOMSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001690381324 1404513308 /nfs/dbraw/zinc/51/33/08/1404513308.db2.gz LYNCNZSRVHEYRS-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001690410096 1404545069 /nfs/dbraw/zinc/54/50/69/1404545069.db2.gz ZWDHQPSCTBTNEI-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1)C1CCC1 ZINC001690535302 1404625120 /nfs/dbraw/zinc/62/51/20/1404625120.db2.gz FRIKCAOTMQFRAJ-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP O=C(NC1CCC([NH2+]CCCC2CCC2)CC1)[C@@]12CC[N@H+](C1)CCC2 ZINC001690544532 1404628492 /nfs/dbraw/zinc/62/84/92/1404628492.db2.gz RMDLMMCOAKEKFO-GRERDSQWSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001690708762 1404694938 /nfs/dbraw/zinc/69/49/38/1404694938.db2.gz XBMVLYKMDFLQDC-RBUKOAKNSA-N 2 0 347.547 3.045 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001690741626 1404704358 /nfs/dbraw/zinc/70/43/58/1404704358.db2.gz UUEMVEWHLNLVRI-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001690858291 1404780860 /nfs/dbraw/zinc/78/08/60/1404780860.db2.gz WAAWLCUUYVLQDN-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690901971 1404810125 /nfs/dbraw/zinc/81/01/25/1404810125.db2.gz MLFQHSDMSGOXAE-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001691149284 1405082894 /nfs/dbraw/zinc/08/28/94/1405082894.db2.gz PKLFSYNTOZVYJU-BJLQDIEVSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1ccccc1 ZINC001691352415 1405211480 /nfs/dbraw/zinc/21/14/80/1405211480.db2.gz VTQIKJPMYVWXBC-RTBURBONSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691428084 1405262444 /nfs/dbraw/zinc/26/24/44/1405262444.db2.gz IVGOLPZMYHPPJO-SXLOBPIMSA-N 2 0 349.563 3.122 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)CCC[NH+]2CCCCC2)cc1C ZINC001691608482 1405353750 /nfs/dbraw/zinc/35/37/50/1405353750.db2.gz RPKLZPQHNMXXRN-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001691623380 1405362615 /nfs/dbraw/zinc/36/26/15/1405362615.db2.gz UYMVJBSSDSWGEP-KRWDZBQOSA-N 2 0 333.520 3.259 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+][C@@H](C)c2ccccc2)C1 ZINC001691636924 1405372629 /nfs/dbraw/zinc/37/26/29/1405372629.db2.gz PHSLRDQDADGFAD-AZUAARDMSA-N 2 0 345.531 3.449 10 0 EGAERP CC(C)C[NH2+][C@H](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001691696501 1405429809 /nfs/dbraw/zinc/42/98/09/1405429809.db2.gz WLTLTSVLBHENJG-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691726572 1405450235 /nfs/dbraw/zinc/45/02/35/1405450235.db2.gz BDIFPXZVYGDKFE-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001691728338 1405452028 /nfs/dbraw/zinc/45/20/28/1405452028.db2.gz QGKMKEIYXXOXAA-QZTJIDSGSA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001691766593 1405479572 /nfs/dbraw/zinc/47/95/72/1405479572.db2.gz CEADGIXXFDYJJM-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP CC[C@@H](C(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+](CC)CC ZINC001691831958 1405545859 /nfs/dbraw/zinc/54/58/59/1405545859.db2.gz KRXYGVCBVIVNFT-ZCNNSNEGSA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691851597 1405566828 /nfs/dbraw/zinc/56/68/28/1405566828.db2.gz SCVQSXGLMHRICZ-JCHUFIKGSA-N 2 0 349.563 3.291 10 0 EGAERP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001691853625 1405570066 /nfs/dbraw/zinc/57/00/66/1405570066.db2.gz ZZHHKNIUXQELEO-GOSISDBHSA-N 2 0 349.544 3.045 10 0 EGAERP C[N@H+](CC(=O)NCC[C@H]1CC[NH+](CCC2CCCCC2)C1)C1CCC1 ZINC001691893903 1405617166 /nfs/dbraw/zinc/61/71/66/1405617166.db2.gz VXZIROLOGYCEBX-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001691904874 1405627949 /nfs/dbraw/zinc/62/79/49/1405627949.db2.gz KGEHXWWQBBGJPW-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001691960366 1405677714 /nfs/dbraw/zinc/67/77/14/1405677714.db2.gz PSBYOAQNFKISMA-FQQSSWHASA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691961360 1405679207 /nfs/dbraw/zinc/67/92/07/1405679207.db2.gz IREDPWTWUIVNPY-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001692021253 1405739273 /nfs/dbraw/zinc/73/92/73/1405739273.db2.gz WONBYRQBAVRLGU-VOTSOKGWSA-N 2 0 349.563 3.388 10 0 EGAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001731770982 1427881778 /nfs/dbraw/zinc/88/17/78/1427881778.db2.gz FPXMIOQAANMHIQ-XDXAGZTOSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001692236604 1405863390 /nfs/dbraw/zinc/86/33/90/1405863390.db2.gz HVXZMYUSUVGBBK-CEXWTWQISA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001692330063 1405948567 /nfs/dbraw/zinc/94/85/67/1405948567.db2.gz UCUGAGFEZRNXAT-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692334588 1405954412 /nfs/dbraw/zinc/95/44/12/1405954412.db2.gz WMEPMUYRQXCKLX-PXPVJAHISA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698569127 1406173045 /nfs/dbraw/zinc/17/30/45/1406173045.db2.gz KBYVJZMHMKMZEX-HJCTWCACSA-N 2 0 337.552 3.243 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001732018494 1428235321 /nfs/dbraw/zinc/23/53/21/1428235321.db2.gz WNNGCGTUXVLAPL-FXAWDEMLSA-N 2 0 345.531 3.309 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cc(C)ccc1C ZINC001698600587 1406225869 /nfs/dbraw/zinc/22/58/69/1406225869.db2.gz KTQZATJOYMXAAT-HSALFYBXSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](CC)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001698603970 1406230505 /nfs/dbraw/zinc/23/05/05/1406230505.db2.gz ISDIXZNSKQCALO-WLMCBFPDSA-N 2 0 328.460 3.097 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732049273 1428287574 /nfs/dbraw/zinc/28/75/74/1428287574.db2.gz PBWYMFAHWZJFDP-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001732051610 1428291982 /nfs/dbraw/zinc/29/19/82/1428291982.db2.gz XSVMRUKSLLNDJC-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@@H]2CC[NH+](CC3CCCCCC3)C2)C1 ZINC001732058201 1428303607 /nfs/dbraw/zinc/30/36/07/1428303607.db2.gz ABWNFJWOJJESPM-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001732086702 1428347368 /nfs/dbraw/zinc/34/73/68/1428347368.db2.gz DQIQKGGPEXGBFK-MRXNPFEDSA-N 2 0 349.494 3.009 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732090217 1428355535 /nfs/dbraw/zinc/35/55/35/1428355535.db2.gz OAMZOANGSWDSBC-WYNBNGFRSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001732118248 1428370178 /nfs/dbraw/zinc/37/01/78/1428370178.db2.gz DJUTUGSSXSHTKJ-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CN(C(=O)c1cccc(C[NH+](C)C)c1)[C@@H]1CC[N@H+](CCCCCF)C1 ZINC001732176080 1428422070 /nfs/dbraw/zinc/42/20/70/1428422070.db2.gz PRQMZZMKROOTBR-LJQANCHMSA-N 2 0 349.494 3.034 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]1(C[NH2+]CCC(C)(C)C)CCCC[C@@H]1C ZINC001732261884 1428502279 /nfs/dbraw/zinc/50/22/79/1428502279.db2.gz OZNAEWVPIRRYRY-PXNSSMCTSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001732325478 1428534144 /nfs/dbraw/zinc/53/41/44/1428534144.db2.gz TUXFFJQHPZFRRT-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C[NH2+]CCC(C)(C)C ZINC001732346524 1428543237 /nfs/dbraw/zinc/54/32/37/1428543237.db2.gz WGSLTEVNBXCCHK-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1 ZINC001732392615 1428561203 /nfs/dbraw/zinc/56/12/03/1428561203.db2.gz XWDAZJVEXKISOA-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCC1)CC2 ZINC001732406014 1428569205 /nfs/dbraw/zinc/56/92/05/1428569205.db2.gz XTWFHBWLTITEGL-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCCC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001732427186 1428576596 /nfs/dbraw/zinc/57/65/96/1428576596.db2.gz QGLOAQCQTXEQHM-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCCCC1 ZINC001732478374 1428604171 /nfs/dbraw/zinc/60/41/71/1428604171.db2.gz UHLWIBGUIZIBNK-FXAWDEMLSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001732494525 1428616826 /nfs/dbraw/zinc/61/68/26/1428616826.db2.gz JSPHHZQTVVBAOY-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CC[NH2+]CCCC(C)(C)C)CC[N@@H+]1C ZINC001699102088 1412510951 /nfs/dbraw/zinc/51/09/51/1412510951.db2.gz GWZVNZUBMBHMCY-YESZJQIVSA-N 2 0 325.541 3.027 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001699112602 1412515815 /nfs/dbraw/zinc/51/58/15/1412515815.db2.gz MWMKZRKMBJSKTC-AZUAARDMSA-N 2 0 345.531 3.100 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001699161216 1412545042 /nfs/dbraw/zinc/54/50/42/1412545042.db2.gz VPCFYFIVQABUNH-PXNSSMCTSA-N 2 0 345.531 3.108 10 0 EGAERP CCc1cccc(C[NH2+]CCN(CC)C(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC001699220118 1412584475 /nfs/dbraw/zinc/58/44/75/1412584475.db2.gz MOOKEXBHBBTKAF-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001699236452 1412592746 /nfs/dbraw/zinc/59/27/46/1412592746.db2.gz KQGGKUPDLNKWSW-YWMZBHJASA-N 2 0 343.515 3.227 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C/CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001699314494 1412633718 /nfs/dbraw/zinc/63/37/18/1412633718.db2.gz NYFBFQUYRXOJSM-UEKDZROGSA-N 2 0 343.515 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001699345922 1412654806 /nfs/dbraw/zinc/65/48/06/1412654806.db2.gz RKMHTIJEWUUTFE-IHHMQQGQSA-N 2 0 333.520 3.013 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001699442898 1412772222 /nfs/dbraw/zinc/77/22/22/1412772222.db2.gz QZBVDKVQWRCXGL-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001699444403 1412776026 /nfs/dbraw/zinc/77/60/26/1412776026.db2.gz CYIYFHUJVFYYQP-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1CC ZINC001699605124 1412968433 /nfs/dbraw/zinc/96/84/33/1412968433.db2.gz IIDLJJFAFCSBIS-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001699641574 1413021629 /nfs/dbraw/zinc/02/16/29/1413021629.db2.gz FISQHWLMTYTLSF-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CC1)c1ccccc1 ZINC001699669020 1413057436 /nfs/dbraw/zinc/05/74/36/1413057436.db2.gz UHRDSKGCGXAJLK-GOSISDBHSA-N 2 0 345.531 3.354 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001699681950 1413075993 /nfs/dbraw/zinc/07/59/93/1413075993.db2.gz CSIYIDPYTYIHTI-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CC[C@@H]3CCCC[NH+]23)CC1 ZINC001699687880 1413088542 /nfs/dbraw/zinc/08/85/42/1413088542.db2.gz KNXBXDOPRMALRN-VQTJNVASSA-N 2 0 347.547 3.116 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)C1 ZINC001699694691 1413103025 /nfs/dbraw/zinc/10/30/25/1413103025.db2.gz HAJALWCCJVCOSZ-FQEVSTJZSA-N 2 0 347.547 3.120 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@@]3(CCN(C(=O)CCCC[NH+](C)C)C3)C2)C1 ZINC001699696270 1413106433 /nfs/dbraw/zinc/10/64/33/1413106433.db2.gz CXFQDEQPMVELKF-GZNCHQMQSA-N 2 0 349.563 3.079 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C2CCCC2)CC1 ZINC001699797863 1413207536 /nfs/dbraw/zinc/20/75/36/1413207536.db2.gz WHOGOWITINXSSQ-FAFZWHIHSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001699876440 1413335127 /nfs/dbraw/zinc/33/51/27/1413335127.db2.gz YATJNBUEISSIIG-KKHYBRAUSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCCC1)C2 ZINC001699928928 1413369528 /nfs/dbraw/zinc/36/95/28/1413369528.db2.gz GFXBPMVZMKKESV-ZCNNSNEGSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943766 1413387083 /nfs/dbraw/zinc/38/70/83/1413387083.db2.gz KAXSIXBGCMBZEM-RBUKOAKNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001732551042 1428734552 /nfs/dbraw/zinc/73/45/52/1428734552.db2.gz PUABEURYBUWWGQ-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001700068768 1413484856 /nfs/dbraw/zinc/48/48/56/1413484856.db2.gz YDLBIPVRBIYGSG-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001700099806 1413517139 /nfs/dbraw/zinc/51/71/39/1413517139.db2.gz QFAALWFCYHHCSV-PKKYDLFWSA-N 2 0 343.515 3.261 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)CC1 ZINC001700184632 1413602703 /nfs/dbraw/zinc/60/27/03/1413602703.db2.gz MVRTVYVEDLNBHU-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001700199717 1413643297 /nfs/dbraw/zinc/64/32/97/1413643297.db2.gz ZCDGSBXLLGXFKA-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001700205784 1413651462 /nfs/dbraw/zinc/65/14/62/1413651462.db2.gz YTHLJQPCKPUGKE-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001700280453 1413725255 /nfs/dbraw/zinc/72/52/55/1413725255.db2.gz LNCZJNKHVXUGDY-ZMBJWTFHSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317268 1413778364 /nfs/dbraw/zinc/77/83/64/1413778364.db2.gz FVUICBGXAOZBKD-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP Cc1cc(C)cc(C[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C[C@@H]2C)c1 ZINC001700323944 1413791779 /nfs/dbraw/zinc/79/17/79/1413791779.db2.gz PHXOBKSZZFTJDT-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)[C@@H]3CCC[NH+]3C)CC2)C1 ZINC001700362473 1413879752 /nfs/dbraw/zinc/87/97/52/1413879752.db2.gz KZDLPJHXRUZKHD-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001700363948 1413883990 /nfs/dbraw/zinc/88/39/90/1413883990.db2.gz IFSHEMXBELMWPI-RLWBPELLSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)[C@H](C)[NH2+]CCCC1CCCC1 ZINC001700419444 1413968107 /nfs/dbraw/zinc/96/81/07/1413968107.db2.gz WMMUJNFPBXUMFW-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001700437074 1414004437 /nfs/dbraw/zinc/00/44/37/1414004437.db2.gz APYSMUAILPLERF-UHFFFAOYSA-N 2 0 347.547 3.188 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700444468 1414018741 /nfs/dbraw/zinc/01/87/41/1414018741.db2.gz OKHSUCAQOIQXII-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]([NH2+]CC(C)(C)CN(C)C(=O)C[NH+]1CCCC1)c1ccccc1F ZINC001700448531 1414028247 /nfs/dbraw/zinc/02/82/47/1414028247.db2.gz PCKAJVVGMILIDD-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP Cc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001700465568 1414071267 /nfs/dbraw/zinc/07/12/67/1414071267.db2.gz GKCCKRAEJXVDML-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001700469373 1414082572 /nfs/dbraw/zinc/08/25/72/1414082572.db2.gz HRUHYYVZGGODQG-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP CC1CC(C[NH2+]CC2(NC(=O)CC3CC[NH+](C)CC3)CCCCC2)C1 ZINC001700514375 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MPAYMSJVRFRZRX-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](CCC[NH2+]CC1CC1)c1ccccc1 ZINC001700708939 1414363613 /nfs/dbraw/zinc/36/36/13/1414363613.db2.gz ANQMATYUZFZOPT-VQTJNVASSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001700712660 1414369875 /nfs/dbraw/zinc/36/98/75/1414369875.db2.gz JDEIGEGDZSEGHN-RTBURBONSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CCCCCC1 ZINC001700751677 1414421366 /nfs/dbraw/zinc/42/13/66/1414421366.db2.gz INKGNKWFERIAOR-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1 ZINC001700780638 1414462943 /nfs/dbraw/zinc/46/29/43/1414462943.db2.gz OBNYMRKXRCIGGS-ROUUACIJSA-N 2 0 333.520 3.141 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H]1C ZINC001700831344 1414485099 /nfs/dbraw/zinc/48/50/99/1414485099.db2.gz YDLMVOLTCSSMPH-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP 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CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C)C[NH+](C)CCC2=CCCCC2)C1 ZINC001733049766 1429186087 /nfs/dbraw/zinc/18/60/87/1429186087.db2.gz MUUJWENUKUYKGU-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001713005001 1417559689 /nfs/dbraw/zinc/55/96/89/1417559689.db2.gz ZTGAWVJWTRURFC-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001713060745 1417616096 /nfs/dbraw/zinc/61/60/96/1417616096.db2.gz JQKJVLGXDWDIGX-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713087380 1417634106 /nfs/dbraw/zinc/63/41/06/1417634106.db2.gz ZFXRGYJZWHHANV-ROUKRRSUSA-N 2 0 343.515 3.299 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001713102244 1417657020 /nfs/dbraw/zinc/65/70/20/1417657020.db2.gz RLIAGLBEKGOIBZ-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC1CCC(C[NH2+][C@@H](CNC(=O)CC[NH+]2CCCCC2)C2CC2)CC1 ZINC001713125556 1417694835 /nfs/dbraw/zinc/69/48/35/1417694835.db2.gz SMTVSGWSXZMCMP-QLOJAFMTSA-N 2 0 349.563 3.173 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713169958 1417743104 /nfs/dbraw/zinc/74/31/04/1417743104.db2.gz PHZSIQRPHVFUOP-YSNLUETFSA-N 2 0 335.536 3.233 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCC3=CCCCC3)CC[C@H]21 ZINC001713180963 1417755553 /nfs/dbraw/zinc/75/55/53/1417755553.db2.gz BCEIXWBRZCFIEX-WOJBJXKFSA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713208600 1417778672 /nfs/dbraw/zinc/77/86/72/1417778672.db2.gz RQAAUHHRUMBJFK-DRDDEIGGSA-N 2 0 335.536 3.090 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713220196 1417800885 /nfs/dbraw/zinc/80/08/85/1417800885.db2.gz GVLTYQOPSUXEAB-JTHGQSKGSA-N 2 0 337.552 3.149 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001713231325 1417817874 /nfs/dbraw/zinc/81/78/74/1417817874.db2.gz ORRLRCHKFVCDJI-MISYRCLQSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713240742 1417827163 /nfs/dbraw/zinc/82/71/63/1417827163.db2.gz PFPORWBQAKDJDK-UHDDOPSISA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1Cc1ccsc1 ZINC001713253578 1417847737 /nfs/dbraw/zinc/84/77/37/1417847737.db2.gz SSACHNUBMUKXOO-ROUUACIJSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](C)C ZINC001713253568 1417848452 /nfs/dbraw/zinc/84/84/52/1417848452.db2.gz SQKALEFXBBPVQM-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001713258618 1417865008 /nfs/dbraw/zinc/86/50/08/1417865008.db2.gz AWWFENOCUBQWGL-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001713263478 1417871679 /nfs/dbraw/zinc/87/16/79/1417871679.db2.gz PFKQGYVNZCUMOQ-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+](C)C(C)C ZINC001733065837 1429219587 /nfs/dbraw/zinc/21/95/87/1429219587.db2.gz JRKKFHNJTZGKNG-KRWDZBQOSA-N 2 0 333.520 3.087 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CCC(C)C ZINC001713272524 1417887738 /nfs/dbraw/zinc/88/77/38/1417887738.db2.gz WMVMKNXEOPRCAI-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001713275241 1417893481 /nfs/dbraw/zinc/89/34/81/1417893481.db2.gz GHRBACKNFZIAJF-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713382710 1417993421 /nfs/dbraw/zinc/99/34/21/1417993421.db2.gz SRFPORBULFOJHN-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001713433157 1418062474 /nfs/dbraw/zinc/06/24/74/1418062474.db2.gz SFQKJEIFEUWBBU-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001733104271 1429244157 /nfs/dbraw/zinc/24/41/57/1429244157.db2.gz HLRXARKHXKFQMT-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)c1 ZINC001733110291 1429246705 /nfs/dbraw/zinc/24/67/05/1429246705.db2.gz IKGIOCLSOWMUFA-GOSISDBHSA-N 2 0 343.515 3.123 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)Cc1c(C)cc(C)cc1C ZINC001713552133 1418336317 /nfs/dbraw/zinc/33/63/17/1418336317.db2.gz NVRBMFLNVGFXGB-UHFFFAOYSA-N 2 0 345.531 3.036 10 0 EGAERP C[C@H](C(=O)NC[C@@H]([NH2+]CC1CC1)c1ccccc1)[NH+]1CCCCCC1 ZINC001713705050 1418464535 /nfs/dbraw/zinc/46/45/35/1418464535.db2.gz QJSPMXYHIYEOAO-YLJYHZDGSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713738718 1418537472 /nfs/dbraw/zinc/53/74/72/1418537472.db2.gz KMAQCNRFVSZVGS-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001713742495 1418544838 /nfs/dbraw/zinc/54/48/38/1418544838.db2.gz YZHUJUMBPQCWHY-MOPGFXCFSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713951069 1418735267 /nfs/dbraw/zinc/73/52/67/1418735267.db2.gz OCJNJOMEVKOZNL-ZHALLVOQSA-N 2 0 349.563 3.457 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001713952598 1418736214 /nfs/dbraw/zinc/73/62/14/1418736214.db2.gz URWCESCIPUXRJL-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001714084338 1418877921 /nfs/dbraw/zinc/87/79/21/1418877921.db2.gz ANRCQNKAIWSBJS-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714085359 1418879275 /nfs/dbraw/zinc/87/92/75/1418879275.db2.gz UZFONGHZYAOKFW-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001714130387 1418933727 /nfs/dbraw/zinc/93/37/27/1418933727.db2.gz WVMVZHTXZWELRI-VZSQWMKGSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C[NH2+]CCC(C)(C)C)CCCC1 ZINC001714135851 1418939100 /nfs/dbraw/zinc/93/91/00/1418939100.db2.gz DRGZMWYXVQCCQA-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714149030 1418955108 /nfs/dbraw/zinc/95/51/08/1418955108.db2.gz BPSLPCCFNCYDCW-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001733195537 1429297392 /nfs/dbraw/zinc/29/73/92/1429297392.db2.gz CJBZSNQIWBVSAO-UYAOXDASSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)(C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1)[NH+]1CCCCC1 ZINC001714264720 1419046500 /nfs/dbraw/zinc/04/65/00/1419046500.db2.gz UZLDHDUXZWMMCU-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714267287 1419048635 /nfs/dbraw/zinc/04/86/35/1419048635.db2.gz KXNMKUNDIPJBND-PXNSSMCTSA-N 2 0 347.547 3.378 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001714302035 1419082427 /nfs/dbraw/zinc/08/24/27/1419082427.db2.gz NDIYLAOZJQFBKT-CXLTZZKYSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001714312623 1419092884 /nfs/dbraw/zinc/09/28/84/1419092884.db2.gz AIVGMFNQBYYGHT-BHIYHBOVSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400742 1419144058 /nfs/dbraw/zinc/14/40/58/1419144058.db2.gz DORUUYXXRDMJAP-QZTJIDSGSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[C@H]1CCC[NH+]1CC1CCC1 ZINC001714520173 1419246021 /nfs/dbraw/zinc/24/60/21/1419246021.db2.gz KCONHNWFFHQPKC-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001714594279 1419344501 /nfs/dbraw/zinc/34/45/01/1419344501.db2.gz KNGMMURMZYWGLN-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001714613459 1419373350 /nfs/dbraw/zinc/37/33/50/1419373350.db2.gz NZOCWIAGGNPIBW-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001714633205 1419404695 /nfs/dbraw/zinc/40/46/95/1419404695.db2.gz LOWRHFHCYHEXJP-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001714665485 1419453032 /nfs/dbraw/zinc/45/30/32/1419453032.db2.gz KMHAYHSKYXHVNI-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+]([C@H](C)c2ccccc2)C2CC2)CC[N@@H+]1C ZINC001714668847 1419457639 /nfs/dbraw/zinc/45/76/39/1419457639.db2.gz UQKQLEXHQYGCBW-LSTHTHJFSA-N 2 0 343.515 3.059 10 0 EGAERP CN(CC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)C1([NH+](C)C)CCC1 ZINC001714718720 1419482515 /nfs/dbraw/zinc/48/25/15/1419482515.db2.gz XAZBBINZSHKUIH-UHFFFAOYSA-N 2 0 345.531 3.016 10 0 EGAERP C[C@H](C[NH2+][C@H]1CCc2ccccc21)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714754006 1419495353 /nfs/dbraw/zinc/49/53/53/1419495353.db2.gz WWTKCZIECNUSBY-APWZRJJASA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795867 1419512585 /nfs/dbraw/zinc/51/25/85/1419512585.db2.gz BVMAGVRMQOINRY-APWZRJJASA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC([C@H](C)[NH2+]CC=C(C)C)CC2)C1 ZINC001714821002 1419531448 /nfs/dbraw/zinc/53/14/48/1419531448.db2.gz REMALYYLBBCLQI-ICSRJNTNSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838423 1419550753 /nfs/dbraw/zinc/55/07/53/1419550753.db2.gz ZKNFHBLZAGKBSA-VQTJNVASSA-N 2 0 343.515 3.273 10 0 EGAERP CCCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001714857363 1419575356 /nfs/dbraw/zinc/57/53/56/1419575356.db2.gz WYYFXSAFATXFHN-HXUWFJFHSA-N 2 0 347.547 3.284 10 0 EGAERP CCCN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](C[C@H](C)CC)C1 ZINC001714867852 1419595568 /nfs/dbraw/zinc/59/55/68/1419595568.db2.gz XELOXFQJYOJXST-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714887202 1419627748 /nfs/dbraw/zinc/62/77/48/1419627748.db2.gz VSOMNCUIXQKXKP-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001714905707 1419648737 /nfs/dbraw/zinc/64/87/37/1419648737.db2.gz AGLMWIRWPOUYFM-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714910283 1419656001 /nfs/dbraw/zinc/65/60/01/1419656001.db2.gz LIZMLAMRUALAPD-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001714995961 1419728446 /nfs/dbraw/zinc/72/84/46/1419728446.db2.gz CLFSMVLPCHTHMZ-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCCC2)C1 ZINC001714995983 1419728453 /nfs/dbraw/zinc/72/84/53/1419728453.db2.gz CTKPDGXXRLYTCR-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001715062092 1419800613 /nfs/dbraw/zinc/80/06/13/1419800613.db2.gz GFZZIGJNRCMPKL-ZWKOTPCHSA-N 2 0 345.531 3.333 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C[NH2+][C@@H]2CCCc3ccccc32)CCCC1 ZINC001715099342 1419840217 /nfs/dbraw/zinc/84/02/17/1419840217.db2.gz AWZNNCCWHKSABC-LJQANCHMSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC001715129588 1419878341 /nfs/dbraw/zinc/87/83/41/1419878341.db2.gz ZPKIYEUKDKGRFQ-YWZLYKJASA-N 2 0 349.494 3.101 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001715161001 1419902467 /nfs/dbraw/zinc/90/24/67/1419902467.db2.gz LQIJLCSYQZSKAA-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001715176558 1419911895 /nfs/dbraw/zinc/91/18/95/1419911895.db2.gz BORRBPLBZIVCSD-ASIGSXEYSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001715190985 1419923086 /nfs/dbraw/zinc/92/30/86/1419923086.db2.gz XDSRALDCDSMFSM-NCXUSEDFSA-N 2 0 349.563 3.457 10 0 EGAERP C[C@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@H](C)c1cccc2ccccc21 ZINC001715251610 1419976457 /nfs/dbraw/zinc/97/64/57/1419976457.db2.gz RMWSKZMUHCGSQO-DLBZAZTESA-N 2 0 341.499 3.194 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001715301134 1420008496 /nfs/dbraw/zinc/00/84/96/1420008496.db2.gz CRJKANYDSIAKTB-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715326164 1420033000 /nfs/dbraw/zinc/03/30/00/1420033000.db2.gz FRCVYCVMXRXQDM-MRXNPFEDSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001715388862 1420085920 /nfs/dbraw/zinc/08/59/20/1420085920.db2.gz IBXZIRNKWSXLNO-UYAOXDASSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001715503016 1420185959 /nfs/dbraw/zinc/18/59/59/1420185959.db2.gz DDMKMTHAANHVHG-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H]([NH2+]C/C=C\CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001715845456 1420366147 /nfs/dbraw/zinc/36/61/47/1420366147.db2.gz URJFAKNOXCRXIK-RURPWVQCSA-N 2 0 341.499 3.028 10 0 EGAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001715858235 1420369622 /nfs/dbraw/zinc/36/96/22/1420369622.db2.gz BPGFNGDRLBSZEK-CPZAGTEWSA-N 2 0 347.547 3.092 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C\C[NH2+]CC2=CCCCC2)cc1 ZINC001715882391 1420381776 /nfs/dbraw/zinc/38/17/76/1420381776.db2.gz ISMJTKIYKBXIBT-SREVYHEPSA-N 2 0 341.499 3.124 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)NC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001715936331 1420407280 /nfs/dbraw/zinc/40/72/80/1420407280.db2.gz DBJZYEXABAIXJG-QGZVFWFLSA-N 2 0 343.515 3.033 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715953986 1420420300 /nfs/dbraw/zinc/42/03/00/1420420300.db2.gz OXYNWLOUGPRGHW-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715976986 1420436823 /nfs/dbraw/zinc/43/68/23/1420436823.db2.gz PNTIIKFNVGAEQN-FUHWJXTLSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715999077 1420453286 /nfs/dbraw/zinc/45/32/86/1420453286.db2.gz UVABEXLPHSPXAS-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC2(CCC2)C1 ZINC001716033186 1420492151 /nfs/dbraw/zinc/49/21/51/1420492151.db2.gz UCLSWZRGCMMKAB-IEBWSBKVSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001716377949 1420624080 /nfs/dbraw/zinc/62/40/80/1420624080.db2.gz DBGDEZDEMOFUCL-WHXUGTBJSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C[NH2+]Cc1c(C)c(C)c(C)c(C)c1C)[NH+](C)C ZINC001716419633 1420647171 /nfs/dbraw/zinc/64/71/71/1420647171.db2.gz MJBDESSLAVRVLA-ZUOKHONESA-N 2 0 347.547 3.163 10 0 EGAERP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001733272059 1429434634 /nfs/dbraw/zinc/43/46/34/1429434634.db2.gz GCKNPFNRFQHLBH-OYZZBNCVSA-N 2 0 347.547 3.186 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001716653331 1420806774 /nfs/dbraw/zinc/80/67/74/1420806774.db2.gz FVANHXMVMRADIK-MOPGFXCFSA-N 2 0 335.536 3.164 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716658189 1420812467 /nfs/dbraw/zinc/81/24/67/1420812467.db2.gz BHXZRYPPUHIDIC-ROUUACIJSA-N 2 0 343.515 3.121 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001716691418 1420844179 /nfs/dbraw/zinc/84/41/79/1420844179.db2.gz JTGUGFSBIGDLQG-GNAXCBTBSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001716706396 1420860709 /nfs/dbraw/zinc/86/07/09/1420860709.db2.gz OPQNACZFAMQKBH-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCCCC1 ZINC001716714696 1420869818 /nfs/dbraw/zinc/86/98/18/1420869818.db2.gz VJHHSSPYUONYFS-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+](C)C2CCC2)CC1 ZINC001716715817 1420872412 /nfs/dbraw/zinc/87/24/12/1420872412.db2.gz NPDHIMOQJCIQQH-UHFFFAOYSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001716731545 1420890358 /nfs/dbraw/zinc/89/03/58/1420890358.db2.gz OCXRYWNYMPSCAW-CFQKCQFKSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)C[C@H]1C ZINC001716768874 1420913826 /nfs/dbraw/zinc/91/38/26/1420913826.db2.gz HMKXEXSDQGLMQS-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001716797121 1420930010 /nfs/dbraw/zinc/93/00/10/1420930010.db2.gz POKJYUJQDGAIMF-GOSISDBHSA-N 2 0 345.531 3.287 10 0 EGAERP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1cccc(F)c1 ZINC001716820837 1420946856 /nfs/dbraw/zinc/94/68/56/1420946856.db2.gz JPAKZQKPXBHVNP-BEFAXECRSA-N 2 0 349.494 3.103 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C[NH2+]CC(C)C)C2CCCC2)C1 ZINC001716821665 1420947873 /nfs/dbraw/zinc/94/78/73/1420947873.db2.gz VEQGZSQUDTYSDA-OALUTQOASA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H]([NH2+]C[C@H](NC(=O)C[NH+]1CCCC1)C1CCCC1)c1ccccc1 ZINC001716825192 1420951495 /nfs/dbraw/zinc/95/14/95/1420951495.db2.gz SHEOTCFRSJGZBJ-XLIONFOSSA-N 2 0 343.515 3.108 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716848377 1420977375 /nfs/dbraw/zinc/97/73/75/1420977375.db2.gz BZTJGDNIPBBRGJ-UTKZUKDTSA-N 2 0 349.563 3.125 10 0 EGAERP CC1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC[NH+](CCC2CC2)CC1 ZINC001716885229 1421008725 /nfs/dbraw/zinc/00/87/25/1421008725.db2.gz IZVIISRMQDYMIZ-MOPGFXCFSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001716901827 1421034045 /nfs/dbraw/zinc/03/40/45/1421034045.db2.gz QIDMXNNLKQXLPB-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001716999969 1421070427 /nfs/dbraw/zinc/07/04/27/1421070427.db2.gz YBOLQACBVIKTPD-YSTOQKLRSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001717007071 1421074970 /nfs/dbraw/zinc/07/49/70/1421074970.db2.gz OKMMRKYKVPNUNB-PMACEKPBSA-N 2 0 343.515 3.030 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001717036661 1421090833 /nfs/dbraw/zinc/09/08/33/1421090833.db2.gz VEEKONPMMLKMOO-SXLOBPIMSA-N 2 0 349.563 3.076 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001717114730 1421118674 /nfs/dbraw/zinc/11/86/74/1421118674.db2.gz GGXJGBPMYKNUNY-IAGOWNOFSA-N 2 0 345.531 3.484 10 0 EGAERP CC[C@@H](c1ccccc1)[NH+]1CCC2(CN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001717128721 1421129654 /nfs/dbraw/zinc/12/96/54/1421129654.db2.gz KKUSXBVBTPXOCN-IBGZPJMESA-N 2 0 343.515 3.014 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CC2(C1)CC[NH+](C(C)C)CC2)c1ccccc1 ZINC001717130218 1421130882 /nfs/dbraw/zinc/13/08/82/1421130882.db2.gz MQRGEUXVYVZPCQ-LJQANCHMSA-N 2 0 343.515 3.012 10 0 EGAERP CC[C@H](F)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001717152417 1421142683 /nfs/dbraw/zinc/14/26/83/1421142683.db2.gz BNNZAIQVAGDTLU-HNNXBMFYSA-N 2 0 341.515 3.016 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001717247878 1421219666 /nfs/dbraw/zinc/21/96/66/1421219666.db2.gz QNZJXORYHCASCJ-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2=CCCCC2)CC1 ZINC001717303724 1421245227 /nfs/dbraw/zinc/24/52/27/1421245227.db2.gz ATBMOWRGYADRTB-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310201 1421253386 /nfs/dbraw/zinc/25/33/86/1421253386.db2.gz CPYDODWVNDNSFN-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCC1 ZINC001717313464 1421259067 /nfs/dbraw/zinc/25/90/67/1421259067.db2.gz UQVJYKNCNDZOMG-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717332692 1421267858 /nfs/dbraw/zinc/26/78/58/1421267858.db2.gz YKBHXPHICVZCMH-IEBWSBKVSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001717334098 1421270144 /nfs/dbraw/zinc/27/01/44/1421270144.db2.gz PNDXWQJXYXDGAK-VDZMMWBESA-N 2 0 335.536 3.186 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1)C1CCC1 ZINC001717358692 1421293894 /nfs/dbraw/zinc/29/38/94/1421293894.db2.gz VTSITRJHZSDFKD-FQEVSTJZSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1ccc(C[NH+](C)C[C@H]2CCCN2C(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001717375913 1421317663 /nfs/dbraw/zinc/31/76/63/1421317663.db2.gz GHSONBIVCNXFCT-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001717441647 1421370555 /nfs/dbraw/zinc/37/05/55/1421370555.db2.gz KJFYKLCSUDSOLQ-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1cccc(C)c1C[NH+](C)[C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001717476459 1421410474 /nfs/dbraw/zinc/41/04/74/1421410474.db2.gz MWEUOGCGKPLKDT-RBUKOAKNSA-N 2 0 345.531 3.114 10 0 EGAERP O=C(C[NH+]1CCCC1)NC1(C[NH2+]CCC2=CCCCC2)CCCCC1 ZINC001717528222 1421464268 /nfs/dbraw/zinc/46/42/68/1421464268.db2.gz QLPKCVGLZPOZIN-UHFFFAOYSA-N 2 0 347.547 3.381 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)CCc1cncn1C ZINC001717540725 1421481272 /nfs/dbraw/zinc/48/12/72/1421481272.db2.gz RGOKIGGMIPYLKU-IBGZPJMESA-N 2 0 348.535 3.150 10 0 EGAERP CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001717542894 1421483468 /nfs/dbraw/zinc/48/34/68/1421483468.db2.gz NUZBJYLVXMXAFQ-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001717558665 1421494625 /nfs/dbraw/zinc/49/46/25/1421494625.db2.gz JLIWGHMFCMSBEC-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001717585265 1421512352 /nfs/dbraw/zinc/51/23/52/1421512352.db2.gz NKQRVZFNQOFGIA-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[NH+]1CCCC2(CN(C(=O)[C@@H]3CCC[N@H+]3CCC)C2)C1 ZINC001717628580 1421537862 /nfs/dbraw/zinc/53/78/62/1421537862.db2.gz ANQDTDBYUWOICG-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001717628873 1421538011 /nfs/dbraw/zinc/53/80/11/1421538011.db2.gz DUDVKMJDWDWTIR-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001717705162 1421580040 /nfs/dbraw/zinc/58/00/40/1421580040.db2.gz ILVUICAZQLMIFP-HKUYNNGSSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCCCC1 ZINC001717722547 1421591023 /nfs/dbraw/zinc/59/10/23/1421591023.db2.gz WNTFOUOOPKNQOX-CTNGQTDRSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001717739328 1421602959 /nfs/dbraw/zinc/60/29/59/1421602959.db2.gz WFGNLWCRCRNIFB-LNLFQRSKSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H]([NH2+][C@H](C)CN(C)C(=O)C[N@H+](C)C(C)C)c1ccc(F)cc1 ZINC001717758657 1421621354 /nfs/dbraw/zinc/62/13/54/1421621354.db2.gz ZHDMULWYJLRRHM-QAPCUYQASA-N 2 0 337.483 3.054 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@H]12 ZINC001717837358 1421650652 /nfs/dbraw/zinc/65/06/52/1421650652.db2.gz MZWCICRESSBCLT-WSTZPKSXSA-N 2 0 335.536 3.164 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2 ZINC001717841518 1421656643 /nfs/dbraw/zinc/65/66/43/1421656643.db2.gz SKNFNQGWQBPRBO-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1=CCCCC1 ZINC001717862644 1421675403 /nfs/dbraw/zinc/67/54/03/1421675403.db2.gz NLYJFILNLOBBSA-UYAOXDASSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC1CC1)C(C)(C)C ZINC001717969618 1421741604 /nfs/dbraw/zinc/74/16/04/1421741604.db2.gz YTZRXRBHTHVJBV-ROUUACIJSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C)[NH+](C)C ZINC001717972022 1421743707 /nfs/dbraw/zinc/74/37/07/1421743707.db2.gz YAINEQYFNHWVQW-DLBZAZTESA-N 2 0 339.568 3.129 10 0 EGAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717991230 1421761129 /nfs/dbraw/zinc/76/11/29/1421761129.db2.gz CSLCYVLIPYILSO-VOTSOKGWSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001733425894 1429633418 /nfs/dbraw/zinc/63/34/18/1429633418.db2.gz NNFQVPHHYJKSIS-ZVDOUQERSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001733448750 1429659462 /nfs/dbraw/zinc/65/94/62/1429659462.db2.gz RPCVGDDDBSMVHN-SFFCAUCYSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001723043084 1424292007 /nfs/dbraw/zinc/29/20/07/1424292007.db2.gz AITOWDJVYGTWMG-MOPGFXCFSA-N 2 0 345.531 3.369 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001723371434 1424374802 /nfs/dbraw/zinc/37/48/02/1424374802.db2.gz MHMUIEXUWBZUPM-OALUTQOASA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001723609432 1424490894 /nfs/dbraw/zinc/49/08/94/1424490894.db2.gz PNOAOWAKAUHMAS-HCZHMGAMSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H](C)Cc3c[nH]cn3)C2)CC1 ZINC001723699362 1424536553 /nfs/dbraw/zinc/53/65/53/1424536553.db2.gz KKTIXOPHGPRBMM-KRWDZBQOSA-N 2 0 346.519 3.093 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733529150 1429736238 /nfs/dbraw/zinc/73/62/38/1429736238.db2.gz PHDBWTZICJLFSO-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733529146 1429736267 /nfs/dbraw/zinc/73/62/67/1429736267.db2.gz PHDBWTZICJLFSO-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001723864547 1424592215 /nfs/dbraw/zinc/59/22/15/1424592215.db2.gz WOKFUHFFOWDEJV-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001723873415 1424594175 /nfs/dbraw/zinc/59/41/75/1424594175.db2.gz HUMGRCGWHIYQQW-VQIMIIECSA-N 2 0 349.494 3.027 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001724093574 1424657510 /nfs/dbraw/zinc/65/75/10/1424657510.db2.gz CLKYVNADECXAGN-WOJBJXKFSA-N 2 0 349.563 3.458 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001724125304 1424676148 /nfs/dbraw/zinc/67/61/48/1424676148.db2.gz CMLLDPJDOQEGBS-QGELVWPYSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724165514 1424702410 /nfs/dbraw/zinc/70/24/10/1424702410.db2.gz OQPRXMJFRAEWNM-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724240106 1424750820 /nfs/dbraw/zinc/75/08/20/1424750820.db2.gz QZKTYELJOVLPQD-ICSRJNTNSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251676 1424756645 /nfs/dbraw/zinc/75/66/45/1424756645.db2.gz UPDGYCWVGFMDBA-RXVVDRJESA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@]1(C)CCC[N@H+](CC2CCCC2)C1 ZINC001724342197 1424838071 /nfs/dbraw/zinc/83/80/71/1424838071.db2.gz FIMTTZHZUSPSGL-HXUWFJFHSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@]1(CNC(=O)CCC[NH+]2CCCC2)CCC[N@H+](CC2CCCC2)C1 ZINC001724344434 1424844725 /nfs/dbraw/zinc/84/47/25/1424844725.db2.gz VUDUNMSNUAXZBX-OAQYLSRUSA-N 2 0 349.563 3.271 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512324 1424889535 /nfs/dbraw/zinc/88/95/35/1424889535.db2.gz ROGHWVPIISZZBF-PMACEKPBSA-N 2 0 345.531 3.279 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724598671 1424929953 /nfs/dbraw/zinc/92/99/53/1424929953.db2.gz ABFXABBGBUKWSR-SLVIYJBESA-N 2 0 349.563 3.149 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724706549 1425062935 /nfs/dbraw/zinc/06/29/35/1425062935.db2.gz HUZABXJDKIEOEB-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724710131 1425065739 /nfs/dbraw/zinc/06/57/39/1425065739.db2.gz HOHBNOGOXSBYNK-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001724712012 1425067652 /nfs/dbraw/zinc/06/76/52/1425067652.db2.gz PWIDRWLVWUKDEX-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001724727944 1425080025 /nfs/dbraw/zinc/08/00/25/1425080025.db2.gz JWAXXTFPVSOUEJ-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001724741139 1425106213 /nfs/dbraw/zinc/10/62/13/1425106213.db2.gz IHXBARBAZVUHRK-LPHOPBHVSA-N 2 0 331.504 3.238 10 0 EGAERP C[C@@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001724745893 1425114879 /nfs/dbraw/zinc/11/48/79/1425114879.db2.gz UIDNFZGNGSPCPL-CXBVNRDYSA-N 2 0 349.906 3.046 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001724884840 1425267545 /nfs/dbraw/zinc/26/75/45/1425267545.db2.gz NNBIKFRWYKJJGL-UHFFFAOYSA-N 2 0 344.503 3.204 10 0 EGAERP CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001724886886 1425270741 /nfs/dbraw/zinc/27/07/41/1425270741.db2.gz OEOLDHKAQPUGEA-GOSISDBHSA-N 2 0 335.536 3.164 10 0 EGAERP CCC1([NH2+]CC=C(C)C)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001724890959 1425278075 /nfs/dbraw/zinc/27/80/75/1425278075.db2.gz IMPJAHQHMCLXRU-UHFFFAOYSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001724963716 1425353959 /nfs/dbraw/zinc/35/39/59/1425353959.db2.gz UJPBFFVMAAVAMJ-UHFFFAOYSA-N 2 0 343.515 3.299 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001724964531 1425354687 /nfs/dbraw/zinc/35/46/87/1425354687.db2.gz BGNCFHFTPAXFRU-ZUDULTTMSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001724993943 1425398929 /nfs/dbraw/zinc/39/89/29/1425398929.db2.gz HJUWHEVGFCSKPQ-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725051250 1425484451 /nfs/dbraw/zinc/48/44/51/1425484451.db2.gz YEYNAYHWQYQBTL-GBESFXJTSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001725089565 1425530976 /nfs/dbraw/zinc/53/09/76/1425530976.db2.gz LCBLBYOTZXOEMD-IRXDYDNUSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001725131614 1425601053 /nfs/dbraw/zinc/60/10/53/1425601053.db2.gz VDISQUSUENAHQK-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]C/C=C/Cl)CC1)[NH+](CC)CC ZINC001725139370 1425617126 /nfs/dbraw/zinc/61/71/26/1425617126.db2.gz YDMLULSFJXAIAF-SGTIPNNWSA-N 2 0 343.943 3.219 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001725141844 1425621351 /nfs/dbraw/zinc/62/13/51/1425621351.db2.gz GXMCDZZEOTUQIM-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001725166405 1425671602 /nfs/dbraw/zinc/67/16/02/1425671602.db2.gz NINKGCMDNIETTQ-QGZVFWFLSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001725367815 1426017543 /nfs/dbraw/zinc/01/75/43/1426017543.db2.gz ANMJFSDEWBXZJO-VAMGGRTRSA-N 2 0 349.563 3.172 10 0 EGAERP CCc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001725392201 1426037490 /nfs/dbraw/zinc/03/74/90/1426037490.db2.gz GJXKIVCUQJLMFW-YLJYHZDGSA-N 2 0 345.531 3.108 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001725425447 1426085041 /nfs/dbraw/zinc/08/50/41/1426085041.db2.gz PRYODYZCXLGCEN-VOTSOKGWSA-N 2 0 349.563 3.386 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725455118 1426120948 /nfs/dbraw/zinc/12/09/48/1426120948.db2.gz MROGFNWRHHSMNT-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001725511040 1426198916 /nfs/dbraw/zinc/19/89/16/1426198916.db2.gz XBNUVHDHPHWHSK-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccsc1 ZINC001725522068 1426213780 /nfs/dbraw/zinc/21/37/80/1426213780.db2.gz VFXPCCJRFARSHL-OAHLLOKOSA-N 2 0 345.512 3.060 10 0 EGAERP C[C@@H](CN(C)C(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1CC(C)(C)C1 ZINC001725524037 1426215334 /nfs/dbraw/zinc/21/53/34/1426215334.db2.gz NONGAUDWUHLYKS-INIZCTEOSA-N 2 0 345.531 3.235 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1C ZINC001725644727 1426326062 /nfs/dbraw/zinc/32/60/62/1426326062.db2.gz YPBTZZVMHVKHFB-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCC(C)(C)C)[C@H]2C)CC1 ZINC001725661554 1426344371 /nfs/dbraw/zinc/34/43/71/1426344371.db2.gz GRNIQALAZABSKV-SJLPKXTDSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+][C@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680145 1426367849 /nfs/dbraw/zinc/36/78/49/1426367849.db2.gz MLRPUFSBOLIWIJ-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001725733687 1426406966 /nfs/dbraw/zinc/40/69/66/1426406966.db2.gz SLLZCXVIINGSHJ-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736700 1426411416 /nfs/dbraw/zinc/41/14/16/1426411416.db2.gz DEMQRQWUEBVGNS-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)CC1CCC(C)CC1 ZINC001731245283 1427200910 /nfs/dbraw/zinc/20/09/10/1427200910.db2.gz PSWYLFDRFBOUKU-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCCC(C)(C)C ZINC001731247294 1427201550 /nfs/dbraw/zinc/20/15/50/1427201550.db2.gz CAPALAWNEVJUHB-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC1CCC(C[N@H+](CCCNC(=O)C2CC[NH+](C)CC2)C2CC2)CC1 ZINC001731338889 1427276827 /nfs/dbraw/zinc/27/68/27/1427276827.db2.gz KFOXHGYUGOLFLC-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCC1)CC2 ZINC001731386483 1427332195 /nfs/dbraw/zinc/33/21/95/1427332195.db2.gz VDGKCPMAKGTXQG-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CCC2CCCCCC2)C1 ZINC001731399728 1427358659 /nfs/dbraw/zinc/35/86/59/1427358659.db2.gz VMUIHIRGJMBGOG-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731430562 1427413126 /nfs/dbraw/zinc/41/31/26/1427413126.db2.gz ACSUPBYDMGVJKZ-ZRNYENFQSA-N 2 0 347.547 3.115 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001731435979 1427417182 /nfs/dbraw/zinc/41/71/82/1427417182.db2.gz NAJLUUBLNPUJGD-RLWBPELLSA-N 2 0 343.515 3.226 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)[NH+](CC)CC ZINC001731486824 1427461040 /nfs/dbraw/zinc/46/10/40/1427461040.db2.gz WSZANBWXUOBOMI-KVPLUYHFSA-N 2 0 343.515 3.031 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731504877 1427489266 /nfs/dbraw/zinc/48/92/66/1427489266.db2.gz XYQLJKPMIBPQKO-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001731513299 1427500879 /nfs/dbraw/zinc/50/08/79/1427500879.db2.gz BKSYSLZCETWVNE-ZBWOGFRMSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001731519200 1427507079 /nfs/dbraw/zinc/50/70/79/1427507079.db2.gz PRRFFWJZQHUHDR-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001731522573 1427511031 /nfs/dbraw/zinc/51/10/31/1427511031.db2.gz DXDWRACPVWYXRC-ZEVQVBBLSA-N 2 0 337.552 3.149 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001731540514 1427547069 /nfs/dbraw/zinc/54/70/69/1427547069.db2.gz IJKLHGFIMKIUEF-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001731553542 1427577488 /nfs/dbraw/zinc/57/74/88/1427577488.db2.gz VLYVUJWGNGJSEN-QUCCMNQESA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560004 1427594105 /nfs/dbraw/zinc/59/41/05/1427594105.db2.gz UKGHBBLIQBGVRU-KJBZUCPPSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001731573526 1427616518 /nfs/dbraw/zinc/61/65/18/1427616518.db2.gz FOZVXUKLJDYDKL-QLOJAFMTSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001731701448 1427753703 /nfs/dbraw/zinc/75/37/03/1427753703.db2.gz WHDIIHYCZSDZBS-PMACEKPBSA-N 2 0 347.547 3.092 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001731725155 1427798219 /nfs/dbraw/zinc/79/82/19/1427798219.db2.gz JUWFVKVOHGOKGF-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)Cc1ccsc1 ZINC001731782240 1427906050 /nfs/dbraw/zinc/90/60/50/1427906050.db2.gz IBUZCOLWRXEDJB-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP CC[N@H+](CCNC(=O)CC[NH+](C)C)[C@H](C)c1cccc2ccccc21 ZINC001731810185 1427990854 /nfs/dbraw/zinc/99/08/54/1427990854.db2.gz VSYCMDOXPVUVIL-QGZVFWFLSA-N 2 0 341.499 3.291 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731853935 1428085592 /nfs/dbraw/zinc/08/55/92/1428085592.db2.gz ATXDAELJRBSJFS-WFRZBGSESA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+]([C@H](C)c2cc(C)ccc2C)C1 ZINC001731857101 1428091101 /nfs/dbraw/zinc/09/11/01/1428091101.db2.gz LGVVXVUFOVSYAA-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)CC1 ZINC001731962996 1428185355 /nfs/dbraw/zinc/18/53/55/1428185355.db2.gz UKVYLKJYQZVXRP-ACBHZAAOSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001731974464 1428190408 /nfs/dbraw/zinc/19/04/08/1428190408.db2.gz CQIORUMZEKULDI-ZWKOTPCHSA-N 2 0 345.531 3.261 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001733597590 1429796740 /nfs/dbraw/zinc/79/67/40/1429796740.db2.gz HCYAYEFFNIBUPP-GUDVDZBRSA-N 2 0 335.536 3.116 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+](C)C ZINC001733597705 1429797059 /nfs/dbraw/zinc/79/70/59/1429797059.db2.gz DDDBCBKHSCCGRV-CQQBRXBZSA-N 2 0 335.536 3.140 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC1CC1 ZINC001733601305 1429805714 /nfs/dbraw/zinc/80/57/14/1429805714.db2.gz HVISVAJXDVMIGJ-UXHICEINSA-N 2 0 347.547 3.118 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001733687883 1429903724 /nfs/dbraw/zinc/90/37/24/1429903724.db2.gz WJSSECLAHAPKMR-QBPKDAKJSA-N 2 0 346.519 3.214 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001733766144 1429988701 /nfs/dbraw/zinc/98/87/01/1429988701.db2.gz CBZLAPAOWJZIPJ-ICSRJNTNSA-N 2 0 345.531 3.367 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@@H]2CCC[NH+]2C)c1 ZINC001733769328 1429997767 /nfs/dbraw/zinc/99/77/67/1429997767.db2.gz QDVAIFRGYLZGCS-QUCCMNQESA-N 2 0 345.531 3.239 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001733803391 1430071156 /nfs/dbraw/zinc/07/11/56/1430071156.db2.gz VKGAJIUTBVGESD-GOSISDBHSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001733813897 1430094497 /nfs/dbraw/zinc/09/44/97/1430094497.db2.gz RSILPLIVSMPPJB-OAQYLSRUSA-N 2 0 349.563 3.077 10 0 EGAERP CCCC[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001733911376 1437729569 /nfs/dbraw/zinc/72/95/69/1437729569.db2.gz PPGJPFGMFQNVDG-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CC[C@H](C)C[N@H+](CC)CC1CCN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CC1 ZINC001733919092 1437732837 /nfs/dbraw/zinc/73/28/37/1437732837.db2.gz YASUJZCOSGKNNI-CGTJXYLNSA-N 2 0 346.519 3.120 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733936732 1437751038 /nfs/dbraw/zinc/75/10/38/1437751038.db2.gz JTOGIKLKFMGUEY-RTBURBONSA-N 2 0 337.552 3.218 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1CC(C[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001733959108 1437765380 /nfs/dbraw/zinc/76/53/80/1437765380.db2.gz PAGCFEAVUPGTLE-UHFFFAOYSA-N 2 0 337.552 3.029 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCCC1CCC1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001734023361 1437811936 /nfs/dbraw/zinc/81/19/36/1437811936.db2.gz JDWYHHKXSJDPPT-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080734 1437867845 /nfs/dbraw/zinc/86/78/45/1437867845.db2.gz MWAQCUIPXIIZEZ-AZUAARDMSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CC1 ZINC001734103716 1437888867 /nfs/dbraw/zinc/88/88/67/1437888867.db2.gz LTXUNYZNJJAQEG-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)C[N@@H+]2CC[C@H](C)C2)c(C)c1 ZINC001734253265 1437968269 /nfs/dbraw/zinc/96/82/69/1437968269.db2.gz URMKYPZWNWYNPK-HKUYNNGSSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001734338551 1438059895 /nfs/dbraw/zinc/05/98/95/1438059895.db2.gz FJDFSGMIEGEXSA-ROUUACIJSA-N 2 0 345.531 3.143 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]CC/C=C\c2ccccc2)C[C@H]1C ZINC001734427068 1438092241 /nfs/dbraw/zinc/09/22/41/1438092241.db2.gz OBYVZXVEMOKMST-UXRNRCMTSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CC3(CCC3)C2)CN1C(=O)CCC[NH+]1CCCC1 ZINC001734432147 1438095334 /nfs/dbraw/zinc/09/53/34/1438095334.db2.gz ZYEJKBBSDDWAFE-PKOBYXMFSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001734458369 1438115948 /nfs/dbraw/zinc/11/59/48/1438115948.db2.gz KUAUQFAMKATDAP-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001734482008 1438127485 /nfs/dbraw/zinc/12/74/85/1438127485.db2.gz QUTUREOZIWDDOU-OALUTQOASA-N 2 0 337.552 3.173 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1(C)C ZINC001734498384 1438133446 /nfs/dbraw/zinc/13/34/46/1438133446.db2.gz IDBXCNCIQFWKGC-OPDSQHBBSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CCc1c[nH]cn1 ZINC001734550577 1438147905 /nfs/dbraw/zinc/14/79/05/1438147905.db2.gz ARROXSUWBBXHGN-UHFFFAOYSA-N 2 0 346.519 3.091 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001734566710 1438162180 /nfs/dbraw/zinc/16/21/80/1438162180.db2.gz DWMOZNGGLKRWKK-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H](C[NH2+]CC2CC3(CCC3)C2)C(C)(C)C)CC1 ZINC001734568724 1438163359 /nfs/dbraw/zinc/16/33/59/1438163359.db2.gz CSQCVXKTEJTRDJ-SFHVURJKSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](NC(=O)CC[N@H+](C)C1CCCCC1)C1CC[NH+](CC2CC2)CC1 ZINC001734578283 1438170794 /nfs/dbraw/zinc/17/07/94/1438170794.db2.gz CONUQLBOOFBUPV-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CCC2CCCCCC2)CC1 ZINC001734634808 1438195622 /nfs/dbraw/zinc/19/56/22/1438195622.db2.gz FGWBWRJMKVJSBZ-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001750945478 1440118242 /nfs/dbraw/zinc/11/82/42/1440118242.db2.gz URZSHFDUMSOSBO-UIVAWZFMSA-N 2 0 337.552 3.290 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCC[C@@H]1C[NH+]1CCCCC1 ZINC000346149980 282250435 /nfs/dbraw/zinc/25/04/35/282250435.db2.gz LWPFZFHWXKKGQB-HXUWFJFHSA-N 2 0 339.487 3.026 10 0 EGAERP CC[C@H]([NH3+])[C@@H](c1ccc(Br)s1)N(C)CCC[NH+](C)C ZINC000104203086 219361234 /nfs/dbraw/zinc/36/12/34/219361234.db2.gz POLQDOSGACJBRY-FZMZJTMJSA-N 2 0 348.354 3.173 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(OC)c(Br)c2)C1 ZINC000037644492 213161775 /nfs/dbraw/zinc/16/17/75/213161775.db2.gz TZYUROYDZPQDOY-STQMWFEESA-N 2 0 341.293 3.450 10 0 EGAERP C[C@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000225562030 299291201 /nfs/dbraw/zinc/29/12/01/299291201.db2.gz TZEGYJBNWOOEFH-IRXDYDNUSA-N 2 0 339.524 3.240 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)[C@H](C)C1 ZINC000081095174 217361361 /nfs/dbraw/zinc/36/13/61/217361361.db2.gz OSCZJEJDNYFADX-SJLPKXTDSA-N 2 0 342.487 3.331 10 0 EGAERP COc1ccccc1/C=C/C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000093735067 218244967 /nfs/dbraw/zinc/24/49/67/218244967.db2.gz XFQFEFZWGDBFEL-SOFGYWHQSA-N 2 0 344.499 3.285 10 0 EGAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC[NH+](C3CCC3)CC2)cc1 ZINC000268807137 252260168 /nfs/dbraw/zinc/26/01/68/252260168.db2.gz ADJRAMVLHGPNQB-OAHLLOKOSA-N 2 0 345.487 3.019 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488155 141122496 /nfs/dbraw/zinc/12/24/96/141122496.db2.gz MHFLHDCYTXKBQJ-YLJYHZDGSA-N 2 0 328.500 3.303 10 0 EGAERP COCC[N@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)[C@H]1CC[C@H](C)C1 ZINC000361643922 144341873 /nfs/dbraw/zinc/34/18/73/144341873.db2.gz NWQOBJJEDFXRDT-KXBFYZLASA-N 2 0 328.460 3.213 10 0 EGAERP COc1cc(C[NH2+]C[C@@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000311191219 154147728 /nfs/dbraw/zinc/14/77/28/154147728.db2.gz FRDJTEVDQZJGSM-IBGZPJMESA-N 2 0 340.467 3.403 10 0 EGAERP Cc1nc2ccc(CN(CCC[NH+](C)C)CCC[NH+](C)C)cc2s1 ZINC000348891019 156277894 /nfs/dbraw/zinc/27/78/94/156277894.db2.gz GHTYRQRHWFDKBS-UHFFFAOYSA-N 2 0 348.560 3.310 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)[C@@H](C)C1 ZINC000248497858 163009474 /nfs/dbraw/zinc/00/94/74/163009474.db2.gz RLLOJQRGGAENDG-WMLDXEAASA-N 2 0 346.450 3.128 10 0 EGAERP CC[N@@H+]1CCC[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248880164 163041168 /nfs/dbraw/zinc/04/11/68/163041168.db2.gz KLIJHZMILORTMQ-XSDIEEQYSA-N 2 0 327.516 3.256 10 0 EGAERP C[NH+](C)CC1CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338549089 163268736 /nfs/dbraw/zinc/26/87/36/163268736.db2.gz CPSWBZRUTNPWON-UHFFFAOYSA-N 2 0 343.515 3.133 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(N3CCCC3)nc2)CC1 ZINC000350144941 165011913 /nfs/dbraw/zinc/01/19/13/165011913.db2.gz FZWHMABOMVXYKB-UHFFFAOYSA-N 2 0 330.520 3.236 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCCC[NH+]2C)C1 ZINC000352049816 165209160 /nfs/dbraw/zinc/20/91/60/165209160.db2.gz TUNSEEARURYKOF-HOJAQTOUSA-N 2 0 343.515 3.203 10 0 EGAERP C[NH+](C)CCN(C(=O)c1cccc(C[NH+]2CCCC2)c1)C1CCCC1 ZINC000355333404 166167533 /nfs/dbraw/zinc/16/75/33/166167533.db2.gz ARUUZNINEIRNBO-UHFFFAOYSA-N 2 0 343.515 3.229 10 0 EGAERP Cc1nccc(N2CCN(Cc3cccc(OCC(C)C)c3)CC2)n1 ZINC000355360990 166174628 /nfs/dbraw/zinc/17/46/28/166174628.db2.gz DCUJOGLXNWAKMS-UHFFFAOYSA-N 2 0 340.471 3.142 10 0 EGAERP CC[C@@H](NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1)c1ccn(C)n1 ZINC000359024052 167040809 /nfs/dbraw/zinc/04/08/09/167040809.db2.gz BJBFOIFCWDRPOG-YMAMQOFZSA-N 2 0 344.425 3.266 10 0 EGAERP CCN(C(=O)[C@@H](C)[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000194740391 266142772 /nfs/dbraw/zinc/14/27/72/266142772.db2.gz AGRCWHSYJLJGNT-GOSISDBHSA-N 2 0 343.515 3.236 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCN(CC(C)(C)C)C2=O)CC1 ZINC000359592931 276323581 /nfs/dbraw/zinc/32/35/81/276323581.db2.gz AMBRLUNSZIKYRF-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCc2ccsc2)CC1 ZINC000356067640 277113347 /nfs/dbraw/zinc/11/33/47/277113347.db2.gz CJXNNXWPLQOLDE-UHFFFAOYSA-N 2 0 349.931 3.486 10 0 EGAERP C[C@H](C(=O)N1c2ccccc2CC[C@@H]1C)[NH+]1CCC(C[NH+](C)C)CC1 ZINC000350945732 289325182 /nfs/dbraw/zinc/32/51/82/289325182.db2.gz AGQQZDOWQRSLPI-DLBZAZTESA-N 2 0 343.515 3.016 10 0 EGAERP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1C[C@H]1C ZINC000414074492 309059315 /nfs/dbraw/zinc/05/93/15/309059315.db2.gz MUYLMWKINHCKFR-WWMYMODYSA-N 2 0 346.515 3.310 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CC[C@H]1CCC[N@H+](C)C1 ZINC000414168798 309064372 /nfs/dbraw/zinc/06/43/72/309064372.db2.gz ALRNNKINRNAPNV-NRSPTQNISA-N 3 0 329.532 3.219 10 0 EGAERP COc1cc(NC(C)=O)ccc1[C@H](C)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000414194501 309066097 /nfs/dbraw/zinc/06/60/97/309066097.db2.gz VOAVPLMSZPUTIG-ZDUSSCGKSA-N 2 0 338.411 3.152 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2ccc(C(F)(F)F)c(C)c2)CC1 ZINC000414286565 309070684 /nfs/dbraw/zinc/07/06/84/309070684.db2.gz NEJGVURULLEDLJ-HNNXBMFYSA-N 2 0 343.437 3.129 10 0 EGAERP C([NH+]1C[C@@H]2CCCC[C@H]2C1)C1(C[NH+]2C[C@H]3CCCC[C@@H]3C2)COC1 ZINC000248418876 308002728 /nfs/dbraw/zinc/00/27/28/308002728.db2.gz KQQJUBWPYMADRW-XLLXOSNRSA-N 2 0 332.532 3.247 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@@H]2CO)cs1 ZINC000294671828 308244292 /nfs/dbraw/zinc/24/42/92/308244292.db2.gz AMWXVZCOWRKISQ-LJQANCHMSA-N 2 0 330.497 3.303 10 0 EGAERP COc1nccnc1CNCc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000295255452 308307921 /nfs/dbraw/zinc/30/79/21/308307921.db2.gz UQYILLZXEIAVNX-UHFFFAOYSA-N 2 0 340.471 3.151 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@H](C)CC(=O)Nc2cccc(F)c2)cc1 ZINC000414810832 309103102 /nfs/dbraw/zinc/10/31/02/309103102.db2.gz OPHGQYMNVDWEOZ-ZIAGYGMSSA-N 2 0 329.419 3.352 10 0 EGAERP COc1ccccc1-n1nccc1C[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000414814231 309103273 /nfs/dbraw/zinc/10/32/73/309103273.db2.gz NPQYUSDGSXTMCX-OAHLLOKOSA-N 2 0 336.439 3.190 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@@H](C)[NH3+])cc2)cc1 ZINC000414816613 309103504 /nfs/dbraw/zinc/10/35/04/309103504.db2.gz QEZISLDLYWNXBH-LSDHHAIUSA-N 2 0 341.455 3.222 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414826573 309104069 /nfs/dbraw/zinc/10/40/69/309104069.db2.gz FSIXWVKJPBSBEE-NEPJUHHUSA-N 2 0 329.257 3.108 10 0 EGAERP Cc1ccc(F)cc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397506148 308904448 /nfs/dbraw/zinc/90/44/48/308904448.db2.gz GANPXFOOWJUNNZ-UHFFFAOYSA-N 2 0 342.458 3.251 10 0 EGAERP C[C@@H]1CC[C@H](C)[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C1 ZINC000397497238 308904496 /nfs/dbraw/zinc/90/44/96/308904496.db2.gz CHGSTZJBIIDKAY-WSTZPKSXSA-N 2 0 330.516 3.428 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CNC[C@@H]([NH3+])c1ccc(C(C)C)cc1 ZINC000414852242 309105628 /nfs/dbraw/zinc/10/56/28/309105628.db2.gz VUVBNURKUJUJPY-OAQYLSRUSA-N 2 0 349.482 3.489 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCc2cc(N)ccc21 ZINC000414910411 309108741 /nfs/dbraw/zinc/10/87/41/309108741.db2.gz CQDSLWZPLVWBRF-FQEVSTJZSA-N 2 0 333.439 3.325 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[C@@H](C[NH3+])C1 ZINC000415033126 309115655 /nfs/dbraw/zinc/11/56/55/309115655.db2.gz IOYHMPAERUJBGM-GYSYKLTISA-N 2 0 329.257 3.236 10 0 EGAERP CC(C)Cc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415048906 309116441 /nfs/dbraw/zinc/11/64/41/309116441.db2.gz GOKAWZQWEDJVRD-UHFFFAOYSA-N 2 0 329.532 3.191 10 0 EGAERP Clc1scc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c1Cl ZINC000415048228 309116474 /nfs/dbraw/zinc/11/64/74/309116474.db2.gz FYMFBNIWYSVSNL-UHFFFAOYSA-N 2 0 348.343 3.361 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[N@@H+]1CCC[C@@H](C)C1 ZINC000415948995 309150730 /nfs/dbraw/zinc/15/07/30/309150730.db2.gz ZGQSIKKAIZMOTE-MRXNPFEDSA-N 2 0 346.519 3.428 10 0 EGAERP CC[NH+](CC)CC1CCN(C(=O)C[C@H](c2ccccc2)[NH+](C)C)CC1 ZINC000416132984 309160060 /nfs/dbraw/zinc/16/00/60/309160060.db2.gz BUFWVTJWBJKORB-HXUWFJFHSA-N 2 0 345.531 3.260 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@@H]1[C@@H]1CC[NH2+]C1 ZINC000420405802 309286646 /nfs/dbraw/zinc/28/66/46/309286646.db2.gz UBPGXKBNFGLPHQ-NVXWUHKLSA-N 2 0 347.528 3.201 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCO[C@@H](CC)C2)CC1 ZINC000421369934 309320963 /nfs/dbraw/zinc/32/09/63/309320963.db2.gz BLHYWIIVPWNJRA-UXHICEINSA-N 2 0 345.531 3.266 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)ccc1F ZINC000422743377 309366162 /nfs/dbraw/zinc/36/61/62/309366162.db2.gz IKKJEUYDWPQCTN-MISYRCLQSA-N 3 0 333.495 3.288 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)c1cccc(C)c1 ZINC000422755369 309366829 /nfs/dbraw/zinc/36/68/29/309366829.db2.gz BIWNAPGCGQXHSU-INIZCTEOSA-N 2 0 326.488 3.334 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000422768101 309367415 /nfs/dbraw/zinc/36/74/15/309367415.db2.gz UGTABPCCABZCLY-RISCZKNCSA-N 2 0 327.266 3.380 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777047 309367656 /nfs/dbraw/zinc/36/76/56/309367656.db2.gz DXYPBOPGYOWHGJ-KGLIPLIRSA-N 2 0 341.455 3.249 10 0 EGAERP Cc1nn(Cc2ccccc2)c(C)c1C[NH2+]C1CCC(C[NH3+])CC1 ZINC000422778823 309367876 /nfs/dbraw/zinc/36/78/76/309367876.db2.gz BAXNSNCTWLARCQ-UHFFFAOYSA-N 2 0 326.488 3.155 10 0 EGAERP c1cc(C[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000422786011 309368061 /nfs/dbraw/zinc/36/80/61/309368061.db2.gz NYXLFNYPTAXWRE-PCCBWWKXSA-N 3 0 327.516 3.293 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[NH2+]CC[C@@H]1C ZINC000422876035 309373237 /nfs/dbraw/zinc/37/32/37/309373237.db2.gz FWGLXTSQGRSORJ-QFBILLFUSA-N 2 0 326.488 3.473 10 0 EGAERP COCCOc1cccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422899085 309375060 /nfs/dbraw/zinc/37/50/60/309375060.db2.gz NQAYTCPHVPPKOQ-XUVXKRRUSA-N 2 0 332.488 3.112 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1ccccc1OC ZINC000422957342 309378056 /nfs/dbraw/zinc/37/80/56/309378056.db2.gz NJGPURKTPKVSHH-FXAWDEMLSA-N 2 0 328.456 3.128 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422962319 309378533 /nfs/dbraw/zinc/37/85/33/309378533.db2.gz FHSAZQUUQUWCJZ-DNVCBOLYSA-N 2 0 342.487 3.320 10 0 EGAERP Cc1ccn(-c2ccccc2C[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)n1 ZINC000422991603 309379831 /nfs/dbraw/zinc/37/98/31/309379831.db2.gz PVVFUJDEHSCKHP-OAHLLOKOSA-N 2 0 335.455 3.194 10 0 EGAERP COc1ccc([C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422998226 309380190 /nfs/dbraw/zinc/38/01/90/309380190.db2.gz VZIGUNDPQUWGBX-VQTJNVASSA-N 2 0 345.531 3.341 10 0 EGAERP CN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423009785 309380700 /nfs/dbraw/zinc/38/07/00/309380700.db2.gz DWOUTRAHNXBBQA-CFSGWGOTSA-N 2 0 339.886 3.331 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCN(C)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423009757 309380745 /nfs/dbraw/zinc/38/07/45/309380745.db2.gz DTKHWAYZDBJMJT-DQYPLSBCSA-N 2 0 327.875 3.331 10 0 EGAERP CCN1CC[C@H]([NH2+][C@H](C)CCCC[NH3+])[C@H]1c1cc(F)c(F)c(F)c1 ZINC000423033880 309382264 /nfs/dbraw/zinc/38/22/64/309382264.db2.gz OZQFUFDXDDVYDD-PZPSRYQVSA-N 2 0 343.437 3.346 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423058605 309383496 /nfs/dbraw/zinc/38/34/96/309383496.db2.gz CTFZASCOYIEJNT-OAHLLOKOSA-N 2 0 326.431 3.120 10 0 EGAERP c1csc(N2CCC([NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000423093696 309385634 /nfs/dbraw/zinc/38/56/34/309385634.db2.gz ABGPZQMYERGUMT-YESZJQIVSA-N 2 0 334.533 3.012 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cnc(-c2ccc(Cl)cc2)s1 ZINC000423102085 309385981 /nfs/dbraw/zinc/38/59/81/309385981.db2.gz JPXHFZGDJCNTOH-AWEZNQCLSA-N 2 0 339.892 3.307 10 0 EGAERP COCC(C)(C)CCC[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423121037 309386787 /nfs/dbraw/zinc/38/67/87/309386787.db2.gz HUFFIXKLIKYAQL-YLJYHZDGSA-N 2 0 332.488 3.285 10 0 EGAERP CCC[N@H+](CC)C[C@@H](C)N[C@@H](c1ccc(OC)cc1)[C@@H]1CCC[NH2+]1 ZINC000423143597 309388253 /nfs/dbraw/zinc/38/82/53/309388253.db2.gz XLXWJPKMJPTISV-UXPWSPDFSA-N 2 0 333.520 3.198 10 0 EGAERP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192369 309389851 /nfs/dbraw/zinc/38/98/51/309389851.db2.gz UQWBZJJZOJZDFV-OJAHFUOMSA-N 2 0 331.479 3.305 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423273766 309393681 /nfs/dbraw/zinc/39/36/81/309393681.db2.gz JIETVGHJNYTDBY-YFVAEKQCSA-N 2 0 329.532 3.189 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(N3CCOCC3)c2)cc1 ZINC000423291963 309394061 /nfs/dbraw/zinc/39/40/61/309394061.db2.gz KTRAWEQPJOJROJ-SJORKVTESA-N 2 0 339.483 3.394 10 0 EGAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]Cc1ccc([C@@H](C)[NH3+])cc1 ZINC000423293666 309394368 /nfs/dbraw/zinc/39/43/68/309394368.db2.gz RWACETWYXGXVIA-LSDHHAIUSA-N 2 0 341.455 3.222 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423394486 309398347 /nfs/dbraw/zinc/39/83/47/309398347.db2.gz MSYMFSJGLVFOHC-RQXATKFSSA-N 2 0 327.516 3.017 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+][C@@H]1CC[C@H]3C[NH2+]C[C@@H]3C1)CC2 ZINC000423561891 309406427 /nfs/dbraw/zinc/40/64/27/309406427.db2.gz WEYYXPMKTFTJHV-CAOSSQGBSA-N 2 0 349.316 3.284 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H]3CC(C)(C)C[C@@H]3C)cn2)CC1 ZINC000434764848 309719768 /nfs/dbraw/zinc/71/97/68/309719768.db2.gz PHGZSNPMNMYBPP-FUHWJXTLSA-N 2 0 330.520 3.138 10 0 EGAERP O[C@@H]1CCCC[C@H]1[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438203938 309809198 /nfs/dbraw/zinc/80/91/98/309809198.db2.gz XGBSGXNTNAJBBW-NHCUHLMSSA-N 2 0 346.515 3.203 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@@H+]3CCC[C@H]3C2)CC1 ZINC000449086155 310035990 /nfs/dbraw/zinc/03/59/90/310035990.db2.gz BAOHKEHNLCOMJX-QIJUGHKUSA-N 2 0 341.543 3.298 10 0 EGAERP CCC[N@@H+]1CC[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449090290 310036351 /nfs/dbraw/zinc/03/63/51/310036351.db2.gz GIWLLJNDLLWEPA-TZIWHRDSSA-N 2 0 343.559 3.404 10 0 EGAERP CC(C)COC[C@@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449094857 310036702 /nfs/dbraw/zinc/03/67/02/310036702.db2.gz URKVKXNZTQKHOQ-SFHVURJKSA-N 2 0 342.568 3.289 10 0 EGAERP CN(C)C(=O)CCC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449101923 310037239 /nfs/dbraw/zinc/03/72/39/310037239.db2.gz WDBPIVUTWAOUOC-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](O)CC(C)(C)C)CC1 ZINC000449147860 310040320 /nfs/dbraw/zinc/04/03/20/310040320.db2.gz IHQRQUGGNUFSII-FXAWDEMLSA-N 2 0 332.532 3.469 10 0 EGAERP CCC(=O)N1CC[C@H]([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)C1 ZINC000449184237 310042786 /nfs/dbraw/zinc/04/27/86/310042786.db2.gz DTRWYTQCWFPPFP-KRWDZBQOSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cc(C[C@@H](C)[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)[nH]n1 ZINC000449188269 310043271 /nfs/dbraw/zinc/04/32/71/310043271.db2.gz KAQBSXSLFDYOEA-SJLPKXTDSA-N 2 0 340.515 3.334 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)C2CCCC2)CC1 ZINC000449332430 310054112 /nfs/dbraw/zinc/05/41/12/310054112.db2.gz DGQBBKRWINQICY-DYESRHJHSA-N 2 0 330.516 3.223 10 0 EGAERP CO[C@](C)(C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449334705 310054380 /nfs/dbraw/zinc/05/43/80/310054380.db2.gz GJXIPBMOKGHLAV-DYESRHJHSA-N 2 0 330.516 3.487 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)[C@H](O)C(F)F ZINC000449419702 310060389 /nfs/dbraw/zinc/06/03/89/310060389.db2.gz CGQSMECQXQVRIB-JLSDUUJJSA-N 2 0 340.458 3.076 10 0 EGAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490179 310066205 /nfs/dbraw/zinc/06/62/05/310066205.db2.gz WJXIEQUYDNZJDV-AEFFLSMTSA-N 2 0 326.500 3.385 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000449560266 310072253 /nfs/dbraw/zinc/07/22/53/310072253.db2.gz ITEPSBSHZHRDIM-AMZGXZFVSA-N 2 0 341.543 3.297 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC[C@@H]2CCOC2)CC1 ZINC000449688075 310080823 /nfs/dbraw/zinc/08/08/23/310080823.db2.gz FIQGGUSKSGRNME-AZUAARDMSA-N 2 0 330.516 3.488 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000450590458 310131847 /nfs/dbraw/zinc/13/18/47/310131847.db2.gz VPLSOYJGIUKOFK-QGZVFWFLSA-N 2 0 343.506 3.302 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124904 310259570 /nfs/dbraw/zinc/25/95/70/310259570.db2.gz ITXZILBWDWWMSM-WMZOPIPTSA-N 2 0 344.503 3.095 10 0 EGAERP Cc1cnc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000453408211 310275485 /nfs/dbraw/zinc/27/54/85/310275485.db2.gz SNYPPXOFOMGXDU-MZADTFQBSA-N 2 0 336.483 3.113 10 0 EGAERP C[N@@H+]1CC[C@H](NC2CC[NH+](CCc3ccccc3)CC2)[C@@H]2CCC[C@H]21 ZINC000514086746 312224164 /nfs/dbraw/zinc/22/41/64/312224164.db2.gz CMYOXOUOSLHOBO-FDFHNCONSA-N 2 0 341.543 3.156 10 0 EGAERP CCC1(C[NH2+][C@@H]2CN(C)C[C@@H]2C)CC[NH+](Cc2ccccc2)CC1 ZINC000537940171 314218183 /nfs/dbraw/zinc/21/81/83/314218183.db2.gz XXBYUPDOCLRXKD-AZUAARDMSA-N 2 0 329.532 3.219 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000540709119 314399002 /nfs/dbraw/zinc/39/90/02/314399002.db2.gz GMZANCPAVCQHIH-UXHICEINSA-N 2 0 346.515 3.156 10 0 EGAERP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000552275322 315210389 /nfs/dbraw/zinc/21/03/89/315210389.db2.gz RPFJMOWYNQLLDF-XMTFNYHQSA-N 2 0 332.488 3.173 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2conc2Cc2ccccc2)CC1 ZINC000555537829 315388697 /nfs/dbraw/zinc/38/86/97/315388697.db2.gz YWDFLKVZFPKDSL-UHFFFAOYSA-N 2 0 327.472 3.477 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000562744399 315892653 /nfs/dbraw/zinc/89/26/53/315892653.db2.gz GYWIWXSGXJZTCH-QAPCUYQASA-N 2 0 339.487 3.148 10 0 EGAERP C[C@@H]1COCC[C@@H]1C[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572119951 317293732 /nfs/dbraw/zinc/29/37/32/317293732.db2.gz DFBXTCMCUWMUSH-MISYRCLQSA-N 2 0 328.500 3.446 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](NC[C@@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521335 317351196 /nfs/dbraw/zinc/35/11/96/317351196.db2.gz FMNAKSOQLDEWEL-VQTJNVASSA-N 2 0 339.527 3.258 10 0 EGAERP C[C@H](Cc1ccccc1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000572762314 317388268 /nfs/dbraw/zinc/38/82/68/317388268.db2.gz GDJBKDJYTUHAQC-LJQANCHMSA-N 2 0 330.516 3.300 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CC[C@@H]([NH2+]CCC4CCOCC4)[C@H]3C2)cc1 ZINC000384069185 324258366 /nfs/dbraw/zinc/25/83/66/324258366.db2.gz UYQGEHADFWPESU-PCCBWWKXSA-N 2 0 328.500 3.303 10 0 EGAERP COc1cccnc1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000579237286 325081687 /nfs/dbraw/zinc/08/16/87/325081687.db2.gz CCPBPIJXDAYVKD-SFHVURJKSA-N 2 0 337.467 3.377 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@@H](C)c1ccc(-n2ccnn2)cc1 ZINC000582056810 325410123 /nfs/dbraw/zinc/41/01/23/325410123.db2.gz NXGASLXZLVZYPS-SOLBZPMBSA-N 2 0 327.476 3.229 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+]3CCCC[C@H]3C)CC2)CC[N@@H+]1C ZINC000631838912 460576970 /nfs/dbraw/zinc/57/69/70/460576970.db2.gz WYAJIRHBYOVSDA-YZGWKJHDSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623496018 460580642 /nfs/dbraw/zinc/58/06/42/460580642.db2.gz DXJFUIDQBKMLJN-VQTJNVASSA-N 2 0 329.532 3.359 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000245646283 455347264 /nfs/dbraw/zinc/34/72/64/455347264.db2.gz BNWVZZDBFDLJCE-CEDBRAGKSA-N 2 0 338.499 3.434 10 0 EGAERP CC(C)[C@@H]([NH2+]CCCN1CCC[N@H+](C)CC1)c1ccc(F)c(F)c1 ZINC000182065298 455427695 /nfs/dbraw/zinc/42/76/95/455427695.db2.gz FIPBLSUJMJDJOI-LJQANCHMSA-N 2 0 339.474 3.279 10 0 EGAERP CC[C@@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691597 454300381 /nfs/dbraw/zinc/30/03/81/454300381.db2.gz FWBUTXWMNVSQQM-IAGOWNOFSA-N 2 0 331.504 3.065 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCC[N@@H+]2CCCC[C@H]2C)cc1 ZINC000060669642 454310367 /nfs/dbraw/zinc/31/03/67/454310367.db2.gz RREXGAJYPUAUNQ-QGZVFWFLSA-N 2 0 331.504 3.133 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(OC)c1OC ZINC000134200252 454514990 /nfs/dbraw/zinc/51/49/90/454514990.db2.gz JKUBTIJQCQOIPA-UHFFFAOYSA-N 2 0 348.487 3.020 10 0 EGAERP c1ccc2c(c1)NC[C@@H]2CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000635005964 460650754 /nfs/dbraw/zinc/65/07/54/460650754.db2.gz KKMDLXMWRARNSH-BUKVSMQUSA-N 2 0 349.478 3.431 10 0 EGAERP CCC[C@H](C(=O)NC1CC[NH+]([C@@H](C)c2ccccc2)CC1)[NH+](C)C ZINC000162171624 454756600 /nfs/dbraw/zinc/75/66/00/454756600.db2.gz LAVVMBXEUYBFCH-QFBILLFUSA-N 2 0 331.504 3.059 10 0 EGAERP Cc1c([C@@H](C)[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cnn1-c1ccccn1 ZINC000126490253 454898026 /nfs/dbraw/zinc/89/80/26/454898026.db2.gz YKANUMIKQBISCQ-CCNLRDMRSA-N 2 0 339.487 3.242 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000165944898 454906812 /nfs/dbraw/zinc/90/68/12/454906812.db2.gz KJRVZLNFTGRQTD-HKUYNNGSSA-N 2 0 331.504 3.059 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1)c1ccccc1 ZINC000127690376 454988233 /nfs/dbraw/zinc/98/82/33/454988233.db2.gz USOAHBSVUHRXGZ-QRQLOZEOSA-N 2 0 331.504 3.011 10 0 EGAERP O[C@H](C[NH+]1CCC(C[NH2+]C[C@H]2CC=CCC2)CC1)c1ccccc1 ZINC000178922297 454990179 /nfs/dbraw/zinc/99/01/79/454990179.db2.gz QGKNDPCWZYNCCB-GHTZIAJQSA-N 2 0 328.500 3.378 10 0 EGAERP O=C(C[N@@H+]1CCC[C@@H]1CC1CCCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000127722665 454991849 /nfs/dbraw/zinc/99/18/49/454991849.db2.gz RUBUPKVABVSBND-HXUWFJFHSA-N 2 0 347.547 3.164 10 0 EGAERP FC(F)(F)c1cccc([C@@H]2C[N@H+](CC3CC[NH2+]CC3)CCO2)c1 ZINC000178976130 454995123 /nfs/dbraw/zinc/99/51/23/454995123.db2.gz YTGQMZLDEKUANN-INIZCTEOSA-N 2 0 328.378 3.078 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC2CC[NH+](C4CC4)CC2)C3)cc1 ZINC000180106052 455132767 /nfs/dbraw/zinc/13/27/67/455132767.db2.gz MDMXEFUKRWPXAO-XDNSSPFJSA-N 2 0 339.527 3.398 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)[nH]n1 ZINC000180159082 455141964 /nfs/dbraw/zinc/14/19/64/455141964.db2.gz BNWVZZDBFDLJCE-SRBWVJFJSA-N 2 0 338.499 3.434 10 0 EGAERP COc1cc([C@@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000245511116 455318163 /nfs/dbraw/zinc/31/81/63/455318163.db2.gz XNUSSFHRMNUDNC-OWCLPIDISA-N 2 0 338.467 3.374 10 0 EGAERP COC[C@@H](NCc1cccnc1-n1ccnc1)c1ccc(F)c(F)c1 ZINC000182355348 455495568 /nfs/dbraw/zinc/49/55/68/455495568.db2.gz AGQOWJFUFVUXDM-QGZVFWFLSA-N 2 0 344.365 3.023 10 0 EGAERP c1csc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000249060911 455743586 /nfs/dbraw/zinc/74/35/86/455743586.db2.gz ZWCTVRMAGPCTKS-NNZMDNLPSA-N 2 0 327.497 3.471 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272385844 455933247 /nfs/dbraw/zinc/93/32/47/455933247.db2.gz GAUWIUIIDBIQSR-HTFPWXHTSA-N 2 0 339.527 3.254 10 0 EGAERP CCOc1ccccc1OCC[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261757600 455942711 /nfs/dbraw/zinc/94/27/11/455942711.db2.gz NUYWMCBMWFYODI-MOPGFXCFSA-N 2 0 340.467 3.138 10 0 EGAERP CCc1ccc(C(C)(C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)cc1 ZINC000261953334 455976973 /nfs/dbraw/zinc/97/69/73/455976973.db2.gz OPPKJKGSRFYMRS-ZCNNSNEGSA-N 2 0 330.516 3.273 10 0 EGAERP CCc1nccn1[C@H]1CCCN(c2nc(C)nc3c2CCCC3)C1 ZINC000272843556 456088027 /nfs/dbraw/zinc/08/80/27/456088027.db2.gz JDVDWDSDZKWBAN-HNNXBMFYSA-N 2 0 325.460 3.264 10 0 EGAERP C[C@H]([NH2+]C1CCN(CCC(F)(F)F)CC1)[C@@H](O)c1ccccc1 ZINC000290205489 456266120 /nfs/dbraw/zinc/26/61/20/456266120.db2.gz GZLCKWZSLLIXEQ-XJKSGUPXSA-N 2 0 330.394 3.115 10 0 EGAERP C[C@@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(F)cc1 ZINC000275731276 456299617 /nfs/dbraw/zinc/29/96/17/456299617.db2.gz PHPGZXGOUGDYDY-PXNSSMCTSA-N 2 0 333.495 3.031 10 0 EGAERP Cc1nc2scc(C3CC3)n2c1CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000297847069 456308277 /nfs/dbraw/zinc/30/82/77/456308277.db2.gz OHGZCDMMWDRVJW-WFASDCNBSA-N 2 0 332.517 3.496 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccc(C(=O)NCC[NH+](C)C)cc2)C1 ZINC000352821878 456336285 /nfs/dbraw/zinc/33/62/85/456336285.db2.gz BLEOZKOURKHEAG-VQIMIIECSA-N 2 0 343.515 3.060 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@@H](O)C2)C1 ZINC000352832217 456346860 /nfs/dbraw/zinc/34/68/60/456346860.db2.gz FESWRPDZCRLHBL-DJPFJPOOSA-N 2 0 328.500 3.335 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337532826 456361338 /nfs/dbraw/zinc/36/13/38/456361338.db2.gz WIJKSCJMQHGEAI-GOSISDBHSA-N 2 0 347.551 3.067 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](C)[C@H]1c1ccccc1)[NH+]1CCCCC1 ZINC000340374431 456422031 /nfs/dbraw/zinc/42/20/31/456422031.db2.gz LJTVOJLHRAECPC-ZCNNSNEGSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1cccc(OCC[NH+](C)C)c1 ZINC000282504307 456535333 /nfs/dbraw/zinc/53/53/33/456535333.db2.gz SDXVCEBXAMUBOW-KXBFYZLASA-N 2 0 342.487 3.089 10 0 EGAERP COC1(C[C@H](C)[NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CCC1 ZINC000277217592 456729125 /nfs/dbraw/zinc/72/91/25/456729125.db2.gz XEKSRXLRPAAAHD-PXNSSMCTSA-N 2 0 346.515 3.081 10 0 EGAERP Cc1ccc(C[NH+]2CCCC2)cc1NC(=O)CC1CC[NH+](C)CC1 ZINC000292113917 456859639 /nfs/dbraw/zinc/85/96/39/456859639.db2.gz KAKGVYXDKFPDMM-UHFFFAOYSA-N 2 0 329.488 3.261 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H](C)c2nc(-c3cccnc3)no2)CC1 ZINC000354143102 457092098 /nfs/dbraw/zinc/09/20/98/457092098.db2.gz LDKMBAUFWHWSFC-HNNXBMFYSA-N 2 0 343.475 3.246 10 0 EGAERP CCN(CC(=O)NC[C@@H](C)[NH+](CC)CC)Cc1ccccc1Cl ZINC000339437823 457118057 /nfs/dbraw/zinc/11/80/57/457118057.db2.gz NHISHFZKIOZSIE-OAHLLOKOSA-N 2 0 339.911 3.008 10 0 EGAERP CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C)c(Oc3ccncc3)c2)C1 ZINC000359917269 457146849 /nfs/dbraw/zinc/14/68/49/457146849.db2.gz RTHKRZQIBOABLN-INIZCTEOSA-N 2 0 339.439 3.254 10 0 EGAERP CC[C@H]1C[C@H](C[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)CCO1 ZINC000356954504 457241581 /nfs/dbraw/zinc/24/15/81/457241581.db2.gz DEBCJKYHHNOZFE-UXHICEINSA-N 2 0 338.536 3.016 10 0 EGAERP CC[C@H]1C[C@H](C[NH+]2CCC(CCC[N@H+](C)CCOC)CC2)CCO1 ZINC000356987291 457259504 /nfs/dbraw/zinc/25/95/04/457259504.db2.gz JSPKYQSISQSCRE-UXHICEINSA-N 2 0 340.552 3.262 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000391935521 457455777 /nfs/dbraw/zinc/45/57/77/457455777.db2.gz JYOSPPLSUAPOGJ-CABCVRRESA-N 2 0 346.500 3.195 10 0 EGAERP C[C@@H]1C[C@@H](C)[N@H+](CCCc2nc(-c3cccs3)no2)C[C@@H]1C[NH3+] ZINC000397340083 457486843 /nfs/dbraw/zinc/48/68/43/457486843.db2.gz VIXOZUJHURYMGF-MCIONIFRSA-N 2 0 334.489 3.036 10 0 EGAERP OC1(C[NH2+]C/C=C\c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397621106 457489435 /nfs/dbraw/zinc/48/94/35/457489435.db2.gz WHERYXMOFTYGMN-GHXNOFRVSA-N 2 0 336.479 3.317 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCO[C@@H](C)C2)CC1 ZINC000356304594 457561995 /nfs/dbraw/zinc/56/19/95/457561995.db2.gz JGPTYQQTURTUNB-OALUTQOASA-N 2 0 345.531 3.123 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1C1CCCCC1 ZINC000357642222 457637016 /nfs/dbraw/zinc/63/70/16/457637016.db2.gz AJOWFOQJKFNLDY-IEBWSBKVSA-N 2 0 335.536 3.164 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1C1CCCCC1 ZINC000357642223 457637435 /nfs/dbraw/zinc/63/74/35/457637435.db2.gz AJOWFOQJKFNLDY-MJGOQNOKSA-N 2 0 335.536 3.164 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cccc(OC)c1 ZINC000358246202 457884736 /nfs/dbraw/zinc/88/47/36/457884736.db2.gz JUPPMRHNILBLNC-LJQANCHMSA-N 2 0 343.471 3.272 10 0 EGAERP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@H]1CCC(=O)N1 ZINC000412083271 458085613 /nfs/dbraw/zinc/08/56/13/458085613.db2.gz PSKPBAGDDDVSIT-HXUWFJFHSA-N 2 0 343.515 3.162 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)NC[C@@]1(C)CCC[N@@H+]1Cc1ccccc1 ZINC000428337088 458123287 /nfs/dbraw/zinc/12/32/87/458123287.db2.gz GOWGJZXNTLHRIF-LAUBAEHRSA-N 2 0 345.531 3.324 10 0 EGAERP Cc1nc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cs1 ZINC000362485147 458210054 /nfs/dbraw/zinc/21/00/54/458210054.db2.gz JYPJOYVAZMPWEJ-HNNXBMFYSA-N 2 0 336.549 3.052 10 0 EGAERP Cc1ccc(CNC2CC[NH+](C3CC3)CC2)c(OC[C@H]2CCOC2)c1 ZINC000459435761 458370409 /nfs/dbraw/zinc/37/04/09/458370409.db2.gz PEZYOQPQFVIMTR-KRWDZBQOSA-N 2 0 344.499 3.127 10 0 EGAERP C[C@H]1C[C@H](CC[NH2+]Cc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438685 458371413 /nfs/dbraw/zinc/37/14/13/458371413.db2.gz JIDCZEJHZPQFMS-HKUYNNGSSA-N 2 0 349.482 3.120 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423429712 458431222 /nfs/dbraw/zinc/43/12/22/458431222.db2.gz KIUVJBNLTYGWLQ-OCCSQVGLSA-N 2 0 325.294 3.414 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)C3)cc1 ZINC000423472013 458437526 /nfs/dbraw/zinc/43/75/26/458437526.db2.gz FSOIXWKZQIYCMK-NCYKPQTJSA-N 3 0 327.516 3.304 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC(NCc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663285 458440429 /nfs/dbraw/zinc/44/04/29/458440429.db2.gz WTVWMGNUIKHCSQ-LPHOPBHVSA-N 2 0 326.488 3.467 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000423512704 458447864 /nfs/dbraw/zinc/44/78/64/458447864.db2.gz PCEOHRHDUCMNFV-FRVUEHSBSA-N 2 0 327.516 3.431 10 0 EGAERP COC[C@@H]1CCC[N@H+](CC[C@@H](C)[NH+]2CCC[C@H](COC)CC2)CC1 ZINC000452110802 458495162 /nfs/dbraw/zinc/49/51/62/458495162.db2.gz ZZXOUMNMNWHODZ-AQNXPRMDSA-N 2 0 340.552 3.262 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@@H](c1cccs1)[NH+]1CCCC1 ZINC000431572600 458590502 /nfs/dbraw/zinc/59/05/02/458590502.db2.gz XECZKFMBRLBSQH-SJORKVTESA-N 2 0 349.544 3.266 10 0 EGAERP C[C@@H]1CC2(C[N@@H+]1Cc1csc(Br)c1)CC[NH2+]CC2 ZINC000424301071 458609091 /nfs/dbraw/zinc/60/90/91/458609091.db2.gz WWNIASPZWOBRMY-LLVKDONJSA-N 2 0 329.307 3.475 10 0 EGAERP C[NH+](C)C[C@H](N[C@@H]1CCC[C@H]([NH3+])C1)c1ccc(Cl)c(Cl)c1 ZINC000530227398 458724109 /nfs/dbraw/zinc/72/41/09/458724109.db2.gz XDKRQGOXXVXMFA-ZENOOKHLSA-N 2 0 330.303 3.456 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2(C)C)cc1 ZINC000494925759 458766426 /nfs/dbraw/zinc/76/64/26/458766426.db2.gz YTMXSMIGDUPION-LPHOPBHVSA-N 2 0 343.515 3.208 10 0 EGAERP CC(C)C[C@H](C[NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccccc1 ZINC000474479281 458888581 /nfs/dbraw/zinc/88/85/81/458888581.db2.gz NSZXOIHZTZGOHI-HXUWFJFHSA-N 2 0 331.548 3.432 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864185 459024482 /nfs/dbraw/zinc/02/44/82/459024482.db2.gz CZASYIZCFXBYKZ-RRFJBIMHSA-N 2 0 340.414 3.259 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H]1CCCC[N@H+](Cc2ccccc2)C1 ZINC000594944433 459187318 /nfs/dbraw/zinc/18/73/18/459187318.db2.gz PXCZUXGRSJKYFO-VBSBHUPXSA-N 2 0 344.499 3.076 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000578373065 459190221 /nfs/dbraw/zinc/19/02/21/459190221.db2.gz SOWCFEPRQXCXAY-APWZRJJASA-N 2 0 349.563 3.195 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NCC[NH+]1CCCCCC1 ZINC000480265708 459190628 /nfs/dbraw/zinc/19/06/28/459190628.db2.gz NSEAXRXTXQLOKW-FPOVZHCZSA-N 2 0 329.532 3.363 10 0 EGAERP CC(C)C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000480535691 459203318 /nfs/dbraw/zinc/20/33/18/459203318.db2.gz LMJPJFPUWXRXGD-CEWLAPEOSA-N 2 0 331.548 3.463 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@H]1CCC[N@H+](CC(C)C)C1 ZINC000595021334 459218177 /nfs/dbraw/zinc/21/81/77/459218177.db2.gz CFJVAGGUTVCPHD-DLBZAZTESA-N 2 0 326.525 3.312 10 0 EGAERP C[C@@H]1C[C@H](N[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)CC[N@@H+]1C ZINC000578650976 459237428 /nfs/dbraw/zinc/23/74/28/459237428.db2.gz VHAFCACMMWQJAJ-RLLQIKCJSA-N 2 0 327.516 3.256 10 0 EGAERP CC1CC[NH+](C2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)CC2)CC1 ZINC000560546342 459370769 /nfs/dbraw/zinc/37/07/69/459370769.db2.gz ZOCHGHOYTWTOLQ-JRGKDQQJSA-N 2 0 333.564 3.492 10 0 EGAERP CC(C)C[C@@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000524620182 459376536 /nfs/dbraw/zinc/37/65/36/459376536.db2.gz YLZGWDQBSGOJFZ-IBGZPJMESA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](CCO)C1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000569473939 459458727 /nfs/dbraw/zinc/45/87/27/459458727.db2.gz AAQSHNBEIOJLER-MMOPVJDHSA-N 2 0 344.499 3.021 10 0 EGAERP C[NH+](C)CCC[C@@H]1C[N@H+](CCCSCc2ccccc2)CCO1 ZINC000595906577 459481920 /nfs/dbraw/zinc/48/19/20/459481920.db2.gz LEEBXMKZUVKFIQ-LJQANCHMSA-N 2 0 336.545 3.353 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCCC[NH+]1CCN(C)CC1)c1ccccc1 ZINC000525981457 459525511 /nfs/dbraw/zinc/52/55/11/459525511.db2.gz DKADNTORCHEYTP-OAQYLSRUSA-N 2 0 331.548 3.434 10 0 EGAERP C[NH+](C)[C@@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380938 459528074 /nfs/dbraw/zinc/52/80/74/459528074.db2.gz NTZIASFJKJQXDH-PMACEKPBSA-N 2 0 327.516 3.113 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccccc3F)CCC2)CC[NH2+]CC1 ZINC000592470817 459609219 /nfs/dbraw/zinc/60/92/19/459609219.db2.gz JVWMPZRLRJTORI-OAHLLOKOSA-N 2 0 348.462 3.116 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3C[C@@H]([NH3+])c4ccccc43)C2)c1 ZINC000584047353 459641117 /nfs/dbraw/zinc/64/11/17/459641117.db2.gz NBXHDBDNHGFFAP-IWMITWMQSA-N 2 0 337.467 3.398 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC000562969022 459682649 /nfs/dbraw/zinc/68/26/49/459682649.db2.gz ZIPULTMLGRXJOI-KRWDZBQOSA-N 2 0 338.536 3.454 10 0 EGAERP Cc1ccc([C@H](Cn2ccnc2)[NH2+]C[C@@](C)(O)C(F)(F)F)c(C)c1 ZINC000562995871 459689655 /nfs/dbraw/zinc/68/96/55/459689655.db2.gz GWLIHAFOVKRNLY-JKSUJKDBSA-N 2 0 341.377 3.144 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1CCC(OC(C)C)CC1 ZINC000527747988 459723811 /nfs/dbraw/zinc/72/38/11/459723811.db2.gz CYMYUEBUYNEHHH-UHFFFAOYSA-N 2 0 328.460 3.402 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000593412434 459882871 /nfs/dbraw/zinc/88/28/71/459882871.db2.gz OPVJHZHISRPDMP-UHFFFAOYSA-N 2 0 329.448 3.108 10 0 EGAERP [NH3+][C@H](CCC(=O)Nc1ncc(C2CC[NH2+]CC2)s1)c1ccccc1 ZINC000576211980 460092505 /nfs/dbraw/zinc/09/25/05/460092505.db2.gz URZZMQFVWQYFSZ-OAHLLOKOSA-N 2 0 344.484 3.029 10 0 EGAERP OC[C@]12CCC[C@H]1C[N@H+](Cc1ccc(C[NH+]3CCCCC3)cc1)C2 ZINC000626015888 460338604 /nfs/dbraw/zinc/33/86/04/460338604.db2.gz SDGAPDYKFPDOGO-LEWJYISDSA-N 2 0 328.500 3.267 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000623359058 460510184 /nfs/dbraw/zinc/51/01/84/460510184.db2.gz BIJOSGOZCUCVTC-KBXCAEBGSA-N 2 0 344.503 3.494 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCC[C@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000629387253 460746559 /nfs/dbraw/zinc/74/65/59/460746559.db2.gz DFIVNSBFTIQKOC-JKSUJKDBSA-N 2 0 342.405 3.439 10 0 EGAERP COc1ccc([C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)cc1F ZINC000629588456 460817711 /nfs/dbraw/zinc/81/77/11/460817711.db2.gz HXHDKMUQZXKWDO-GOSISDBHSA-N 2 0 340.442 3.470 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)Cc1c(OC(F)F)ccc2ccccc21 ZINC000629653569 460849840 /nfs/dbraw/zinc/84/98/40/460849840.db2.gz QEBPEAIOHNPUPD-UHFFFAOYSA-N 2 0 338.398 3.109 10 0 EGAERP CC[NH+](CC)CCOc1ccc(-c2cnn(C3CC[NH2+]CC3)c2)cc1 ZINC000629704649 460877517 /nfs/dbraw/zinc/87/75/17/460877517.db2.gz BFBKRLRYABEIQI-UHFFFAOYSA-N 2 0 342.487 3.195 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)c1ccc(-c2ccco2)s1 ZINC000617506180 460883510 /nfs/dbraw/zinc/88/35/10/460883510.db2.gz DSIPVYLOCAGNCW-AWEZNQCLSA-N 2 0 349.500 3.010 10 0 EGAERP Cc1cc2occ(C(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c2cc1C ZINC000617507171 460883852 /nfs/dbraw/zinc/88/38/52/460883852.db2.gz LGOAEDWUNMIFAR-INIZCTEOSA-N 2 0 345.487 3.051 10 0 EGAERP Cc1ccc([C@H](C)C[NH+]2CCN(C[C@@H]3CCCC[N@@H+]3C)CC2)cc1 ZINC000628164593 461027360 /nfs/dbraw/zinc/02/73/60/461027360.db2.gz VSJYKBPMCRYVEV-CTNGQTDRSA-N 2 0 329.532 3.200 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339281 461138265 /nfs/dbraw/zinc/13/82/65/461138265.db2.gz KVPPCKIYSCXDKV-JOCHJYFZSA-N 2 0 335.495 3.039 10 0 EGAERP Fc1cccc(Cl)c1C[C@H]1CCC[N@@H+]1C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662252377 461144821 /nfs/dbraw/zinc/14/48/21/461144821.db2.gz NHLQGNULCXHGJO-ZIAGYGMSSA-N 2 0 338.854 3.007 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCC2(C[NH2+]C2)O1)c1cc(F)c(Cl)cc1Cl ZINC000662280824 461163800 /nfs/dbraw/zinc/16/38/00/461163800.db2.gz GBQMUBRVDPRWTE-VHSXEESVSA-N 2 0 333.234 3.304 10 0 EGAERP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]C[C@H]1CCC2(C[NH2+]C2)O1 ZINC000662284044 461165671 /nfs/dbraw/zinc/16/56/71/461165671.db2.gz WUJIRAXLZCJYFD-QZTJIDSGSA-N 2 0 342.508 3.451 10 0 EGAERP FC1(F)C(F)(F)C12CC[NH+](Cc1ccnn1-c1cc[nH+]cc1)CC2 ZINC000668283226 461225757 /nfs/dbraw/zinc/22/57/57/461225757.db2.gz LLBVIGQCLJAAOG-UHFFFAOYSA-N 2 0 340.324 3.134 10 0 EGAERP c1ccc(N2CC[C@H](C[N@@H+]3CCC[C@@H]([NH+]4CCCC4)CC3)C2)cc1 ZINC000638106086 461242827 /nfs/dbraw/zinc/24/28/27/461242827.db2.gz YKTZDBXMUZJZFI-TZIWHRDSSA-N 2 0 327.516 3.463 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)C1CCCCC1 ZINC000659327613 461296593 /nfs/dbraw/zinc/29/65/93/461296593.db2.gz QTRVVXIIMRIVBY-FQEVSTJZSA-N 2 0 343.515 3.382 10 0 EGAERP Cc1ccc(OCc2nc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)cs2)cc1 ZINC000655826493 461481015 /nfs/dbraw/zinc/48/10/15/461481015.db2.gz GGXIJVHCGYSFCC-WOVMCDHWSA-N 2 0 345.512 3.460 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2cnn(Cc3ccccc3Cl)c2)C1 ZINC000655827624 461482885 /nfs/dbraw/zinc/48/28/85/461482885.db2.gz VMLQJDUUNDOFLM-KDYLLFBJSA-N 2 0 332.879 3.015 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+]Cc2ccnn2-c2ccccn2)cc1 ZINC000647168604 461538010 /nfs/dbraw/zinc/53/80/10/461538010.db2.gz DBFZEOPEAPWWME-UHFFFAOYSA-N 2 0 349.482 3.399 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(CO)cc2)CC1 ZINC000647322044 461633421 /nfs/dbraw/zinc/63/34/21/461633421.db2.gz CSDLOOBMOOLAAE-SFHVURJKSA-N 2 0 338.495 3.364 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+]CC1(c2cccc(OC(F)(F)F)c2)CCC1 ZINC000656199754 461644070 /nfs/dbraw/zinc/64/40/70/461644070.db2.gz BZDVBQSRFMOXMG-CABCVRRESA-N 2 0 328.378 3.476 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000647343187 461648104 /nfs/dbraw/zinc/64/81/04/461648104.db2.gz HFWWVZVMNXYTTA-WNRNVDISSA-N 2 0 326.525 3.059 10 0 EGAERP C[C@H]1C[C@H](C[N@@H+]2CCOc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000663501757 461675347 /nfs/dbraw/zinc/67/53/47/461675347.db2.gz AFIJNMGZZPRPHN-QWHCGFSZSA-N 2 0 339.277 3.032 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)cc1F ZINC000647479406 461725232 /nfs/dbraw/zinc/72/52/32/461725232.db2.gz GDFDJAARDWJIMN-WDYCEAGBSA-N 2 0 334.479 3.477 10 0 EGAERP c1nc(-c2ccccn2)sc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000647543539 461756579 /nfs/dbraw/zinc/75/65/79/461756579.db2.gz OZAIZFGRDMLCQK-HZPDHXFCSA-N 2 0 342.512 3.417 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+][C@@H]3CC[C@H]4C[NH2+]C[C@@H]4C3)co2)cc1 ZINC000647791820 461836924 /nfs/dbraw/zinc/83/69/24/461836924.db2.gz NOPOJSVZLZLKIM-YQQAZPJKSA-N 2 0 329.419 3.001 10 0 EGAERP COc1cc2cc[nH+]c(N3CC[C@@]4(C3)CCC[N@H+](C)C4)c2cc1OC ZINC000663940034 461881315 /nfs/dbraw/zinc/88/13/15/461881315.db2.gz USHNQLHOZPSBPJ-FQEVSTJZSA-N 2 0 341.455 3.174 10 0 EGAERP Fc1ccc(-n2nccc2C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cc1 ZINC000656783315 461892898 /nfs/dbraw/zinc/89/28/98/461892898.db2.gz OWTGGJUDKIQYEM-QGZVFWFLSA-N 2 0 342.462 3.223 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC1 ZINC000650714080 461906645 /nfs/dbraw/zinc/90/66/45/461906645.db2.gz QIIKCXABLUMEIJ-UHFFFAOYSA-N 2 0 339.487 3.279 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC[C@@H]2CCCO2)cc1 ZINC000650718272 461909359 /nfs/dbraw/zinc/90/93/59/461909359.db2.gz FLIMMXDEMNYZGV-NRFANRHFSA-N 2 0 340.467 3.254 10 0 EGAERP CCc1noc(C2CCC([NH2+]Cc3ccccc3C[NH2+]C)CC2)n1 ZINC000650719031 461911255 /nfs/dbraw/zinc/91/12/55/461911255.db2.gz AUVPQTHWZOTARF-UHFFFAOYSA-N 2 0 328.460 3.167 10 0 EGAERP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647977545 461919190 /nfs/dbraw/zinc/91/91/90/461919190.db2.gz DDTLTYYYMRVUNX-DLBZAZTESA-N 2 0 342.462 3.223 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000650748019 461930666 /nfs/dbraw/zinc/93/06/66/461930666.db2.gz LMXVHWTWJSHUSE-XUVXKRRUSA-N 3 0 327.516 3.148 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccc(C)o2)[C@@H](C)C1 ZINC000648009985 461937811 /nfs/dbraw/zinc/93/78/11/461937811.db2.gz FZLXNFTUESNNIG-WMLDXEAASA-N 2 0 330.476 3.151 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]C1CCC2(CC1)c1ccccc1NC2=O ZINC000650758730 461939334 /nfs/dbraw/zinc/93/93/34/461939334.db2.gz WPBVQKCIOOTOIT-UHFFFAOYSA-N 2 0 349.478 3.328 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc(OC)c(NC(C)=O)c1 ZINC000650757871 461939342 /nfs/dbraw/zinc/93/93/42/461939342.db2.gz COTQIZSBPLHZDG-AWEZNQCLSA-N 2 0 341.455 3.224 10 0 EGAERP C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1Oc2ccccc2[C@H]1C ZINC000657391219 462092342 /nfs/dbraw/zinc/09/23/42/462092342.db2.gz JNIKNZIJBWJWIE-QEEYODRMSA-N 2 0 334.423 3.310 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+]Cc3cc(Cl)sc3Cl)C2)CC1 ZINC000648450327 462123943 /nfs/dbraw/zinc/12/39/43/462123943.db2.gz BAVYPBIXFMRAEP-LBPRGKRZSA-N 2 0 348.343 3.313 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CC[C@@H](CO)CC2)CC1 ZINC000648481984 462139372 /nfs/dbraw/zinc/13/93/72/462139372.db2.gz YEQLZAXXFOVFHP-RLLQIKCJSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[C@H](C)O1 ZINC000648515094 462156024 /nfs/dbraw/zinc/15/60/24/462156024.db2.gz UUYSRAQLRODBNB-UDPGMGRYSA-N 2 0 328.500 3.443 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@@H]1CNC1CC[NH+](CCc2ccc(F)cc2)CC1 ZINC000657527342 462167459 /nfs/dbraw/zinc/16/74/59/462167459.db2.gz TVPKXHIOZFDFQH-HXUWFJFHSA-N 2 0 347.522 3.295 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(Cl)c2cccnc12 ZINC000657572718 462187519 /nfs/dbraw/zinc/18/75/19/462187519.db2.gz CPFOGIMTJHWWAW-HNNXBMFYSA-N 2 0 348.922 3.250 10 0 EGAERP C[C@@H]1C[C@H]1c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000657593623 462194812 /nfs/dbraw/zinc/19/48/12/462194812.db2.gz AVGDSGIHJVNSMN-XFQXTVEOSA-N 2 0 340.467 3.259 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C/C=C/c3ccc(F)cc3)cc2)C1 ZINC000657595400 462196915 /nfs/dbraw/zinc/19/69/15/462196915.db2.gz ICXOSTMXHUAPDS-BTFLMBNSSA-N 2 0 340.442 3.195 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4occc4c3)cc2)C1 ZINC000657596201 462197253 /nfs/dbraw/zinc/19/72/53/462197253.db2.gz MCUGSKHOSMHBPN-FQEVSTJZSA-N 2 0 336.435 3.289 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc4[nH]ccc43)cc2)C1 ZINC000657596839 462199064 /nfs/dbraw/zinc/19/90/64/462199064.db2.gz ZOAWGPANMTWEAQ-IBGZPJMESA-N 2 0 335.451 3.024 10 0 EGAERP CC1(C)C[N@@H+]([C@H]2CCOC2)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837071 462210304 /nfs/dbraw/zinc/21/03/04/462210304.db2.gz MMCFCVMBRWNGTF-PMACEKPBSA-N 2 0 328.500 3.398 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2cc3ccc(C)cc3[nH]2)C1 ZINC000667681885 462211264 /nfs/dbraw/zinc/21/12/64/462211264.db2.gz UNUSIPGXSAUPPI-IBGZPJMESA-N 2 0 329.488 3.409 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cnn3c2CCC3)CC1)CC1CC1 ZINC000667758585 462249620 /nfs/dbraw/zinc/24/96/20/462249620.db2.gz JJKUUKFGBXLLAF-UHFFFAOYSA-N 2 0 330.520 3.163 10 0 EGAERP C=Cn1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cn1 ZINC000657771630 462259778 /nfs/dbraw/zinc/25/97/78/462259778.db2.gz DPHWHGBRDMEQFG-FQEVSTJZSA-N 2 0 336.483 3.376 10 0 EGAERP c1ccc(C[NH+]2CCN(CCC[NH2+][C@H]3CCCSCC3)CC2)cc1 ZINC000657836929 462289428 /nfs/dbraw/zinc/28/94/28/462289428.db2.gz YEPRIPGLDUMNOY-FQEVSTJZSA-N 2 0 347.572 3.070 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@H]3CCCSCC3)cc2)CC1 ZINC000657838657 462291025 /nfs/dbraw/zinc/29/10/25/462291025.db2.gz DWDVEYATQAMIQX-FQEVSTJZSA-N 2 0 347.572 3.199 10 0 EGAERP C[C@@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651765449 462329859 /nfs/dbraw/zinc/32/98/59/462329859.db2.gz RNOMZKOHJNWFPL-XJKSGUPXSA-N 2 0 339.886 3.082 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@@H](C)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000657969719 462331834 /nfs/dbraw/zinc/33/18/34/462331834.db2.gz UESZZDUNHHDOHA-WDSOQIARSA-N 2 0 338.536 3.061 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)C(C)(C)C(F)F ZINC000658033735 462352827 /nfs/dbraw/zinc/35/28/27/462352827.db2.gz CKAURHTXPOBIJP-OAHLLOKOSA-N 2 0 340.458 3.283 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1cccc(OC2CC2)c1F ZINC000665244214 462366098 /nfs/dbraw/zinc/36/60/98/462366098.db2.gz ISKPLRZMEYCMFE-LBPRGKRZSA-N 2 0 329.419 3.380 10 0 EGAERP CC(C)n1ccc(C[C@@H](C)[NH2+][C@@H]2CNCC[C@@H]2c2ccccc2)n1 ZINC000665251654 462368414 /nfs/dbraw/zinc/36/84/14/462368414.db2.gz VMXAECWBTVDRFM-NSISKUIASA-N 2 0 326.488 3.130 10 0 EGAERP [NH3+]C[C@H]1CCC[C@H]1[NH2+]CC1(Cc2ccc(Br)cc2)CC1 ZINC000665265576 462376534 /nfs/dbraw/zinc/37/65/34/462376534.db2.gz YPWWNTNXPBCQIS-GDBMZVCRSA-N 2 0 337.305 3.489 10 0 EGAERP COC[C@H](CC[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)OC ZINC000658083497 462377588 /nfs/dbraw/zinc/37/75/88/462377588.db2.gz RCWLYISZCFRWFV-MHJFOBGBSA-N 2 0 334.504 3.071 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H](C[NH2+][C@H]3CCC[NH2+]CC3)C3(CCC3)C2)cc1 ZINC000665276576 462379427 /nfs/dbraw/zinc/37/94/27/462379427.db2.gz GWAXJUPAIKATSC-UXHICEINSA-N 3 0 327.516 3.020 10 0 EGAERP C[C@H]1C[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)c2ncnn21 ZINC000658103315 462384722 /nfs/dbraw/zinc/38/47/22/462384722.db2.gz USSYWJBYEMOOOW-RXQRSOPUSA-N 2 0 339.487 3.317 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)CCC[NH+](C)C)c1cnc2ccsc2c1 ZINC000658108761 462389393 /nfs/dbraw/zinc/38/93/93/462389393.db2.gz QDGFXSZHWXNANA-LSDHHAIUSA-N 2 0 334.533 3.219 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)C1 ZINC000658138021 462402717 /nfs/dbraw/zinc/40/27/17/462402717.db2.gz LUAAYZKENLYEHO-HXUWFJFHSA-N 2 0 328.500 3.312 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]C(C3CCC3)C3CCC3)cc2)C1 ZINC000658138020 462402976 /nfs/dbraw/zinc/40/29/76/462402976.db2.gz LUAAYZKENLYEHO-FQEVSTJZSA-N 2 0 328.500 3.312 10 0 EGAERP C[C@H](CCc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658143022 462404581 /nfs/dbraw/zinc/40/45/81/462404581.db2.gz GBDGLUVGURNLMR-GCJKJVERSA-N 2 0 338.495 3.364 10 0 EGAERP COc1ccccc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658144347 462406565 /nfs/dbraw/zinc/40/65/65/462406565.db2.gz LRTHNLXGRGRXAR-LPHOPBHVSA-N 2 0 340.467 3.113 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CC[C@@]2(O)CCCOC2)CC1 ZINC000652044698 462415467 /nfs/dbraw/zinc/41/54/67/462415467.db2.gz RTCAJLWODDGKNG-FQEVSTJZSA-N 2 0 340.552 3.187 10 0 EGAERP O[C@@H]1C[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C12CCC2 ZINC000658248110 462442579 /nfs/dbraw/zinc/44/25/79/462442579.db2.gz CBNFRNAOFBKKJT-OUUBHVDSSA-N 2 0 326.484 3.075 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H](CO)CC2CC2)CC1 ZINC000658257044 462445720 /nfs/dbraw/zinc/44/57/20/462445720.db2.gz YOAYQCRQCFGAQE-XLIONFOSSA-N 2 0 330.516 3.080 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139955 462447230 /nfs/dbraw/zinc/44/72/30/462447230.db2.gz ZTHPEHXOHGMPPG-RXVVDRJESA-N 2 0 344.547 3.319 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139847 462447508 /nfs/dbraw/zinc/44/75/08/462447508.db2.gz XCJSJKQBJKCGEV-NRFANRHFSA-N 2 0 344.547 3.320 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ccc(-c3ccccc3)nn2)CC1(C)C ZINC000623389644 469640282 /nfs/dbraw/zinc/64/02/82/469640282.db2.gz SPTILLRFKFPLPZ-KRWDZBQOSA-N 2 0 339.487 3.018 10 0 EGAERP CCN(CCC[NH+](CC)CC)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000351802997 535504968 /nfs/dbraw/zinc/50/49/68/535504968.db2.gz DLKNPUUBSXWBHE-UHFFFAOYSA-N 2 0 345.531 3.476 10 0 EGAERP Fc1cccc(F)c1CN1CCC[C@H]([NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)C1 ZINC000339069556 547569331 /nfs/dbraw/zinc/56/93/31/547569331.db2.gz XGMFALINTRIVHL-YESZJQIVSA-N 2 0 349.469 3.146 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000675749362 548973694 /nfs/dbraw/zinc/97/36/94/548973694.db2.gz UCCKVCHOZDHFLX-XAPVIXHLSA-N 2 0 343.559 3.465 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)[C@@H](C)C1 ZINC000678277454 549455644 /nfs/dbraw/zinc/45/56/44/549455644.db2.gz JHZDWCZTOOYBQN-KXBFYZLASA-N 2 0 342.487 3.247 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CN(CC[NH+](C)C)Cc1cccc2cnccc21 ZINC000685455974 550418298 /nfs/dbraw/zinc/41/82/98/550418298.db2.gz GHBJHHIAVDHHMJ-HXUWFJFHSA-N 2 0 340.515 3.083 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000685841031 550447089 /nfs/dbraw/zinc/44/70/89/550447089.db2.gz VFMYQGCWTVIGRB-IBGZPJMESA-N 2 0 345.575 3.390 10 0 EGAERP C[NH+](C)C1CC[NH+](CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000179495263 1294796983 /nfs/dbraw/zinc/79/69/83/1294796983.db2.gz CVGPKHVVZQMIKN-UHFFFAOYSA-N 2 0 339.524 3.050 10 0 EGAERP CCC(CC)(CNC(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2)[NH2+][C@H](C)c1ccccc1 ZINC000870885655 1296130383 /nfs/dbraw/zinc/13/03/83/1296130383.db2.gz PYJVQLMSCYBSBN-OCQZMCQHSA-N 2 0 343.515 3.140 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@H+](C)CC1CC[NH2+]CC1 ZINC000235479390 1296184329 /nfs/dbraw/zinc/18/43/29/1296184329.db2.gz IREJORXOHQDTCR-CYBMUJFWSA-N 2 0 325.294 3.312 10 0 EGAERP C[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cc(O)ccc1F ZINC000872039365 1296688876 /nfs/dbraw/zinc/68/88/76/1296688876.db2.gz RGAWSBDUWRQIDA-MRXNPFEDSA-N 2 0 349.494 3.132 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CC(Nc3ccccc3)C2)[C@@H](C)C1 ZINC000872132729 1296756164 /nfs/dbraw/zinc/75/61/64/1296756164.db2.gz JWOXYOUZAFYOSO-VWEINGBSSA-N 2 0 345.531 3.356 10 0 EGAERP C[C@H]1CCN(C(=O)C[N@H+](C)CCCCCC[NH3+])c2ccccc2S1 ZINC000872155647 1296774184 /nfs/dbraw/zinc/77/41/84/1296774184.db2.gz XMCYWMJJAVVWMX-INIZCTEOSA-N 2 0 349.544 3.355 10 0 EGAERP COc1ccc(-c2noc([C@H](C)[N@H+](C)CCCCCC[NH3+])n2)cc1 ZINC000872155561 1296774489 /nfs/dbraw/zinc/77/44/89/1296774489.db2.gz QCHZPAUPRQBTKR-AWEZNQCLSA-N 2 0 332.448 3.257 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@H](C)CNC(=O)OC(C)(C)C ZINC000309924583 1297081758 /nfs/dbraw/zinc/08/17/58/1297081758.db2.gz SKFZEJCEZPQJCO-HOTGVXAUSA-N 2 0 329.529 3.247 10 0 EGAERP C[C@@H](C[NH3+])C[NH2+][C@@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659137 1297572740 /nfs/dbraw/zinc/57/27/40/1297572740.db2.gz IWXXWKQPKJYGLB-JKSUJKDBSA-N 2 0 339.524 3.273 10 0 EGAERP CNc1ncccc1C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719959546 1298325158 /nfs/dbraw/zinc/32/51/58/1298325158.db2.gz RBDVUFYUJWQVNS-UHFFFAOYSA-N 2 0 338.499 3.467 10 0 EGAERP c1ncn2ccnc(N3CCC4(C3)CC[NH+](Cc3ccccc3)CC4)c12 ZINC000893967313 1306154200 /nfs/dbraw/zinc/15/42/00/1306154200.db2.gz FFUNSPVMCQRSPW-UHFFFAOYSA-N 2 0 347.466 3.222 10 0 EGAERP Cc1coc(C[N@@H+](C)CCC2CC[NH+](C3CCN(C)CC3)CC2)c1 ZINC000894076299 1306203712 /nfs/dbraw/zinc/20/37/12/1306203712.db2.gz QKJQSNVSNCGCPN-UHFFFAOYSA-N 2 0 333.520 3.216 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCC[N@@H+]2Cc1cc2c(cccc2O)s1 ZINC000894096549 1306217005 /nfs/dbraw/zinc/21/70/05/1306217005.db2.gz VWEKFFKBIWILTP-SKDZVZGDSA-N 2 0 346.496 3.290 10 0 EGAERP Oc1cccc2sc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)cc21 ZINC000894289905 1306322921 /nfs/dbraw/zinc/32/29/21/1306322921.db2.gz VTSUDMJWBGFSEE-AWEZNQCLSA-N 2 0 346.496 3.197 10 0 EGAERP C[C@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783395 1309069715 /nfs/dbraw/zinc/06/97/15/1309069715.db2.gz SZUBALMNONPXJR-DZGCQCFKSA-N 2 0 338.517 3.475 10 0 EGAERP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2ccccc2)CCN1c1cc[nH+]cc1 ZINC000895557444 1309400520 /nfs/dbraw/zinc/40/05/20/1309400520.db2.gz QOPVKBCHOQZINB-MRXNPFEDSA-N 2 0 333.439 3.182 10 0 EGAERP C[C@H]([NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1CC1(F)F ZINC000895646231 1309447365 /nfs/dbraw/zinc/44/73/65/1309447365.db2.gz FONNJGSLPLHUHP-RDJZCZTQSA-N 2 0 338.442 3.037 10 0 EGAERP CC(C)C[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+][C@@H](C)c1ccccc1 ZINC000896296018 1309791946 /nfs/dbraw/zinc/79/19/46/1309791946.db2.gz VVIPENWGKNXCMY-CMKODMSKSA-N 2 0 345.531 3.210 10 0 EGAERP C[NH+](C)CCCCC(=O)Nc1ccc(C[NH+](C)C)c(C(F)(F)F)c1 ZINC000899671742 1317128823 /nfs/dbraw/zinc/12/88/23/1317128823.db2.gz BAFIKJYFHNBELZ-UHFFFAOYSA-N 2 0 345.409 3.437 10 0 EGAERP C[C@H]1C[NH+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C[C@H](C)O1 ZINC000858092771 1328680290 /nfs/dbraw/zinc/68/02/90/1328680290.db2.gz ZNUHPNWAWMYMLN-HOTGVXAUSA-N 2 0 343.446 3.120 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH2+]Cc3ccnc(F)c3)cc2)C[C@H](C)O1 ZINC000858092773 1328680456 /nfs/dbraw/zinc/68/04/56/1328680456.db2.gz ZNUHPNWAWMYMLN-IYBDPMFKSA-N 2 0 343.446 3.120 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110692 1328685748 /nfs/dbraw/zinc/68/57/48/1328685748.db2.gz YCRUXRLAOXNTJD-WFASDCNBSA-N 2 0 330.394 3.201 10 0 EGAERP CCN(CCC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858125452 1328689460 /nfs/dbraw/zinc/68/94/60/1328689460.db2.gz FOIBQLNCXGIKDX-HNNXBMFYSA-N 2 0 327.513 3.096 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC[C@@H]2CCN(C(=O)OC(C)(C)C)C2)CC1(C)C ZINC000858131567 1328690956 /nfs/dbraw/zinc/69/09/56/1328690956.db2.gz ZKRRBEOQJIOAAT-HZPDHXFCSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)CCCCCCO)cc2)C[C@H](C)O1 ZINC000930860932 1328990454 /nfs/dbraw/zinc/99/04/54/1328990454.db2.gz ZKNHDPBAVWUIPO-KDURUIRLSA-N 2 0 348.531 3.280 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000922847079 1322631701 /nfs/dbraw/zinc/63/17/01/1322631701.db2.gz VAXLJIWBHQOPRH-VEDCXYSMSA-N 2 0 344.499 3.351 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c(Cl)ccc3cccnc31)CC2 ZINC000923450956 1322754417 /nfs/dbraw/zinc/75/44/17/1322754417.db2.gz JVPUBINDLMJGLZ-HNNXBMFYSA-N 2 0 345.874 3.218 10 0 EGAERP C[C@H]1C[N@H+](Cc2cccc(C(=O)Nc3ccccc3)c2)CC[C@@H]1C[NH3+] ZINC000923495938 1322761165 /nfs/dbraw/zinc/76/11/65/1322761165.db2.gz GFYSKOAKIOFEAA-QFBILLFUSA-N 2 0 337.467 3.356 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@H]3CCC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000924855733 1323189496 /nfs/dbraw/zinc/18/94/96/1323189496.db2.gz XXHRQXZKDISADK-IDGBJLRDSA-N 2 0 328.500 3.446 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](CN[C@@H]3CCC[NH+]4CCCC[C@H]34)C2)cc1 ZINC000924939124 1323221104 /nfs/dbraw/zinc/22/11/04/1323221104.db2.gz QHWBLYYIFIVYOC-YPAWHYETSA-N 2 0 341.543 3.158 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1csc(C(F)(F)F)c1)N1CC[NH+](C)CC1 ZINC000924964970 1323230015 /nfs/dbraw/zinc/23/00/15/1323230015.db2.gz MLBHBMLEIITINV-RYUDHWBXSA-N 2 0 335.439 3.053 10 0 EGAERP CC[C@H](C[C@@](C)(O)CC)[NH2+]Cc1ccc(C[NH+]2CCC(O)CC2)cc1 ZINC000924968612 1323231697 /nfs/dbraw/zinc/23/16/97/1323231697.db2.gz BTKDGZPVGBJACY-CTNGQTDRSA-N 2 0 348.531 3.063 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@H]3[C@@H]4CCC[NH2+][C@@H]4C3(C)C)c2c1 ZINC000925485497 1325171650 /nfs/dbraw/zinc/17/16/50/1325171650.db2.gz CVHWPGDRFJYBJZ-MNEFBYGVSA-N 2 0 327.472 3.085 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1OC ZINC000925487530 1325172633 /nfs/dbraw/zinc/17/26/33/1325172633.db2.gz CYRXTKCHHMHZFN-ROUUACIJSA-N 2 0 332.488 3.004 10 0 EGAERP COc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)[NH+]2CCCCC2)cc1 ZINC000925501756 1325179432 /nfs/dbraw/zinc/17/94/32/1325179432.db2.gz BZMHQLUJGPHLHW-ZCNNSNEGSA-N 2 0 343.515 3.082 10 0 EGAERP Fc1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)CCOCC2)cc1 ZINC000925501734 1325179494 /nfs/dbraw/zinc/17/94/94/1325179494.db2.gz CZBPYEOAGCXIRO-GOSISDBHSA-N 2 0 332.463 3.138 10 0 EGAERP CC1CC[NH+]([C@H](CN[C@H]2C[C@@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506427 1325182094 /nfs/dbraw/zinc/18/20/94/1325182094.db2.gz ZAXDHTZQFGMODZ-NXHRZFHOSA-N 2 0 333.545 3.381 10 0 EGAERP CC1CC[NH+]([C@H](CN[C@@H]2C[C@@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506423 1325182316 /nfs/dbraw/zinc/18/23/16/1325182316.db2.gz ZAXDHTZQFGMODZ-KBAYOESNSA-N 2 0 333.545 3.381 10 0 EGAERP CC1(C)[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518308 1325187422 /nfs/dbraw/zinc/18/74/22/1325187422.db2.gz DYHSKTIHGWTOEY-WOZUAGRISA-N 2 0 341.543 3.265 10 0 EGAERP CC1(C)[C@H](NCc2cccc(C[NH+]3CCCC3)c2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925528239 1325192573 /nfs/dbraw/zinc/19/25/73/1325192573.db2.gz QTEYXOPINBXOMP-HSALFYBXSA-N 2 0 327.516 3.149 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)C1 ZINC000925603783 1325228346 /nfs/dbraw/zinc/22/83/46/1325228346.db2.gz RNOHGLPYKOHUKP-ICSRJNTNSA-N 2 0 345.531 3.209 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CCCOCCOCc2ccccc2)C1 ZINC000925632014 1325239312 /nfs/dbraw/zinc/23/93/12/1325239312.db2.gz NJIDWHHDEZHBKP-RTBURBONSA-N 2 0 334.504 3.106 10 0 EGAERP C[NH+](C)[C@H](CN[C@@H]1CC[NH2+]C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925639752 1325243465 /nfs/dbraw/zinc/24/34/65/1325243465.db2.gz DGVKFQBEJPLBPL-HZPDHXFCSA-N 2 0 341.421 3.182 10 0 EGAERP OC[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)C[C@H]1c1ccc(F)cc1 ZINC000925651296 1325247685 /nfs/dbraw/zinc/24/76/85/1325247685.db2.gz ABSPPFRLVHKNJV-PLACYPQZSA-N 2 0 346.490 3.050 10 0 EGAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)c1 ZINC000925766088 1325290662 /nfs/dbraw/zinc/29/06/62/1325290662.db2.gz GKGDZILFQYGUGG-JRGCBEDISA-N 2 0 336.483 3.054 10 0 EGAERP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925776813 1325295048 /nfs/dbraw/zinc/29/50/48/1325295048.db2.gz MKSDVFUKPVBRBN-KMFMINBZSA-N 2 0 342.405 3.128 10 0 EGAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(-c2cccs2)cc1 ZINC000925808736 1325309906 /nfs/dbraw/zinc/30/99/06/1325309906.db2.gz DYWBUCFIEZKPBQ-HNNXBMFYSA-N 2 0 329.513 3.489 10 0 EGAERP C[C@H](CCCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816222 1325313394 /nfs/dbraw/zinc/31/33/94/1325313394.db2.gz GWPHUZNDZYRXPV-OAHLLOKOSA-N 2 0 343.437 3.303 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000925814665 1325313616 /nfs/dbraw/zinc/31/36/16/1325313616.db2.gz LAIQNJGITQHYGU-GFCCVEGCSA-N 2 0 348.343 3.445 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000925817134 1325314957 /nfs/dbraw/zinc/31/49/57/1325314957.db2.gz NNSWRVFEGPFXCE-VQIMIIECSA-N 2 0 335.923 3.379 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H]2CCC[C@H](c3cccc(Cl)c3)C2)CC1 ZINC000925816953 1325315238 /nfs/dbraw/zinc/31/52/38/1325315238.db2.gz MEDHZYKBJRXODT-QFBILLFUSA-N 2 0 335.923 3.379 10 0 EGAERP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1 ZINC000925840103 1325323527 /nfs/dbraw/zinc/32/35/27/1325323527.db2.gz KPAFHXZMPBHNCY-XWPNQZOQSA-N 2 0 332.463 3.415 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]C[C@]12CCC[C@H]1[NH2+]CC2 ZINC000925843938 1325324710 /nfs/dbraw/zinc/32/47/10/1325324710.db2.gz UWSRGDZEBAPEBV-POZUXBRTSA-N 2 0 349.906 3.487 10 0 EGAERP c1ccc2c(c1)-c1ccccc1C2[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925843857 1325324938 /nfs/dbraw/zinc/32/49/38/1325324938.db2.gz HAMZFZYXNBBYQW-UHFFFAOYSA-N 2 0 335.495 3.422 10 0 EGAERP CC[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000925846276 1325326367 /nfs/dbraw/zinc/32/63/67/1325326367.db2.gz VCIRMSXAMGAGAC-HXUWFJFHSA-N 2 0 345.531 3.128 10 0 EGAERP CCCCc1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855206 1325332067 /nfs/dbraw/zinc/33/20/67/1325332067.db2.gz OSCQHXWEKQSHMM-LPHOPBHVSA-N 2 0 344.499 3.365 10 0 EGAERP O=C1O[C@@H](C[NH2+][C@@H](c2cccs2)C2CCCC2)CC12CC[NH2+]CC2 ZINC000925857443 1325333406 /nfs/dbraw/zinc/33/34/06/1325333406.db2.gz ZTODFXBYSXIKCS-NVXWUHKLSA-N 2 0 348.512 3.254 10 0 EGAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)n1 ZINC000925872643 1325338502 /nfs/dbraw/zinc/33/85/02/1325338502.db2.gz IMZIHNOGZMVCFE-ZHCJQAHYSA-N 2 0 332.492 3.169 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@H](Cc2ccccc2Br)C2CC2)C1 ZINC000925880843 1325340851 /nfs/dbraw/zinc/34/08/51/1325340851.db2.gz VCNIRKXWUYTBCA-XGWLTEMNSA-N 2 0 337.305 3.487 10 0 EGAERP COc1ccc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(C)c1OC ZINC000925876950 1325339666 /nfs/dbraw/zinc/33/96/66/1325339666.db2.gz JYODJPHGSWRFRB-ZDUSSCGKSA-N 2 0 329.444 3.025 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H](Cc2ccccc2Br)C2CC2)C1 ZINC000925880842 1325341342 /nfs/dbraw/zinc/34/13/42/1325341342.db2.gz VCNIRKXWUYTBCA-MJEQTWJJSA-N 2 0 337.305 3.487 10 0 EGAERP COc1ccc2c(c1F)CC[C@@H]2[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883559 1325341736 /nfs/dbraw/zinc/34/17/36/1325341736.db2.gz ZOGKNQRYNBURBP-UQASEVPWSA-N 2 0 340.442 3.470 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C[C@H]1C ZINC000925887216 1325344012 /nfs/dbraw/zinc/34/40/12/1325344012.db2.gz VOHSSDVWAOVWLE-IOESTIDPSA-N 2 0 344.499 3.003 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925887533 1325344247 /nfs/dbraw/zinc/34/42/47/1325344247.db2.gz GHSRNGMCISAYKE-MSYGRNIXSA-N 2 0 349.522 3.471 10 0 EGAERP C[C@@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324242 1325516480 /nfs/dbraw/zinc/51/64/80/1325516480.db2.gz DEFOSTFQMKVCAQ-MJGOQNOKSA-N 2 0 338.499 3.392 10 0 EGAERP C[C@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc(C[NH+](C)C)c1 ZINC000926676263 1327661273 /nfs/dbraw/zinc/66/12/73/1327661273.db2.gz MEKISWNSJZDDKL-LBPRGKRZSA-N 2 0 338.377 3.408 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[N@H+](CC3CC3)C2)n(C)n1 ZINC000926737319 1327693341 /nfs/dbraw/zinc/69/33/41/1327693341.db2.gz FMKUSCAYCPHWOD-SVFBPWRDSA-N 2 0 344.547 3.151 10 0 EGAERP O[C@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)F ZINC000926782445 1327716024 /nfs/dbraw/zinc/71/60/24/1327716024.db2.gz BGIPCBPVWGFFQR-HQSKLWIPSA-N 2 0 338.442 3.178 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]C2CCC(C)([NH+](C)C)CC2)n(C)n1 ZINC000926794666 1327720786 /nfs/dbraw/zinc/72/07/86/1327720786.db2.gz AJGQBFDNLIKCBX-PYXOFJJQSA-N 2 0 332.536 3.292 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876928 1327751016 /nfs/dbraw/zinc/75/10/16/1327751016.db2.gz LTKMZUUAVFEPTI-GIYDNNGJSA-N 2 0 332.488 3.125 10 0 EGAERP C[C@@H]1[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000926893425 1327761575 /nfs/dbraw/zinc/76/15/75/1327761575.db2.gz QHPVQFGSIHMGCD-ZMWHVPEISA-N 2 0 327.516 3.254 10 0 EGAERP CC(C)CC[NH+]1CCC(N[C@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000926896779 1327763656 /nfs/dbraw/zinc/76/36/56/1327763656.db2.gz GMVQMNNJEYDSML-HXUWFJFHSA-N 2 0 332.536 3.175 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CCC2)[C@H]2CCOC2)cc1 ZINC000865762870 1329735993 /nfs/dbraw/zinc/73/59/93/1329735993.db2.gz XYPBSGJMROYKEY-PZJWPPBQSA-N 2 0 346.515 3.312 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000866230933 1330081366 /nfs/dbraw/zinc/08/13/66/1330081366.db2.gz IRGHSDLSILDAJI-OXJNMPFZSA-N 2 0 333.495 3.066 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CCc2cccnc2)[C@@H](C)C1 ZINC000866268466 1330088033 /nfs/dbraw/zinc/08/80/33/1330088033.db2.gz WNDIALRTWQDNLE-BJLQDIEVSA-N 2 0 333.520 3.129 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@H]1CCc2cccc3cccc1c32 ZINC000866343372 1330099233 /nfs/dbraw/zinc/09/92/33/1330099233.db2.gz ZVTVQFPFZDYOCX-UTKZUKDTSA-N 2 0 337.511 3.443 10 0 EGAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516665 1330120903 /nfs/dbraw/zinc/12/09/03/1330120903.db2.gz RWYCXTMWSHETRE-VXESANQCSA-N 2 0 331.504 3.281 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@@H](OC3CCC3)CC2)cc1 ZINC000866697084 1330141947 /nfs/dbraw/zinc/14/19/47/1330141947.db2.gz FIZNEJXTGZPLQM-FXAWDEMLSA-N 2 0 332.488 3.161 10 0 EGAERP Cc1ccccc1CN(C)C(=O)[C@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705392 1330142917 /nfs/dbraw/zinc/14/29/17/1330142917.db2.gz YZCUDLJWMYSZDL-UWJYYQICSA-N 2 0 345.531 3.039 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001329171095 1389002048 /nfs/dbraw/zinc/00/20/48/1389002048.db2.gz WQOJCTHDXWRZMT-SJORKVTESA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001323157834 1387304241 /nfs/dbraw/zinc/30/42/41/1387304241.db2.gz FSHDKSDITYRWTQ-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)C[N@H+](C)C2CCC2)CC1)c1ccc(Cl)cc1 ZINC001323459927 1387373071 /nfs/dbraw/zinc/37/30/71/1387373071.db2.gz OIKLKVFHSYHIEJ-AWEZNQCLSA-N 2 0 349.906 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001323871837 1387484702 /nfs/dbraw/zinc/48/47/02/1387484702.db2.gz GCLZTXAQOJVFBE-QYUKCPRWSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001324328758 1387592528 /nfs/dbraw/zinc/59/25/28/1387592528.db2.gz GDLXKDRPQYZMKZ-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+]1CC[C@H](C)C1)C2 ZINC001324556316 1387671863 /nfs/dbraw/zinc/67/18/63/1387671863.db2.gz GRXOYEJRBOBLQC-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001324557152 1387673996 /nfs/dbraw/zinc/67/39/96/1387673996.db2.gz OYGWOGLSMWEVDW-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001324647781 1387717667 /nfs/dbraw/zinc/71/76/67/1387717667.db2.gz QNVGYARTQQKWNV-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001324772414 1387765988 /nfs/dbraw/zinc/76/59/88/1387765988.db2.gz SEXSDOAHAMRTLK-NJRZHNRPSA-N 2 0 349.563 3.435 10 0 EGAERP COCC[N@@H+](Cc1ccc(Cl)cc1OC)CC1CC[NH+](C)CC1 ZINC001196781394 1368683625 /nfs/dbraw/zinc/68/36/25/1368683625.db2.gz AOTOKGLWDLXTSW-UHFFFAOYSA-N 2 0 340.895 3.139 10 0 EGAERP CCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001325917786 1388080200 /nfs/dbraw/zinc/08/02/00/1388080200.db2.gz NUIRYXJSCPOXGN-RTBURBONSA-N 2 0 335.536 3.118 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001325918988 1388082886 /nfs/dbraw/zinc/08/28/86/1388082886.db2.gz FZYBYXNZBUZERZ-INPAECQJSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001325943258 1388094352 /nfs/dbraw/zinc/09/43/52/1388094352.db2.gz UENJZCCIKGCTLR-XUVXKRRUSA-N 2 0 349.563 3.362 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001326274424 1388139422 /nfs/dbraw/zinc/13/94/22/1388139422.db2.gz LBGXTPUMNPOTEW-MRXNPFEDSA-N 2 0 349.544 3.218 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001326303042 1388147299 /nfs/dbraw/zinc/14/72/99/1388147299.db2.gz KFYSHDBCONFTJY-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CC3CCCC3)C2)C1 ZINC001326337473 1388158966 /nfs/dbraw/zinc/15/89/66/1388158966.db2.gz GBFRTSLVVMRTBL-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CC[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001326354038 1388164142 /nfs/dbraw/zinc/16/41/42/1388164142.db2.gz UDASZJRYKFDQCA-SFHVURJKSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001326490382 1388215209 /nfs/dbraw/zinc/21/52/09/1388215209.db2.gz QMBBOBOLCGRZKC-APWZRJJASA-N 2 0 345.531 3.341 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCC1CCCC1)CC2 ZINC001326602185 1388255360 /nfs/dbraw/zinc/25/53/60/1388255360.db2.gz ACRXYAYFWSEMQJ-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001327130312 1388394281 /nfs/dbraw/zinc/39/42/81/1388394281.db2.gz LGNRVHBCDCMNLZ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001327157809 1388413746 /nfs/dbraw/zinc/41/37/46/1388413746.db2.gz VCNVLDFELBZECV-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](CC)CC)CC(C)(C)C1 ZINC001750945395 1440117941 /nfs/dbraw/zinc/11/79/41/1440117941.db2.gz SSCOJQPDCLAKFN-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001327272029 1388476306 /nfs/dbraw/zinc/47/63/06/1388476306.db2.gz VAPYQKJUPGSETQ-ZWKOTPCHSA-N 2 0 325.541 3.077 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001265627596 1377155494 /nfs/dbraw/zinc/15/54/94/1377155494.db2.gz FFWWPPISVKQEAP-KKHYBRAUSA-N 2 0 349.563 3.293 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001265793900 1377166221 /nfs/dbraw/zinc/16/62/21/1377166221.db2.gz CNMWNSZGLLJXHU-CQSZACIVSA-N 2 0 330.476 3.177 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](C)CCCC(C)C)ccc2c[nH+]cn21 ZINC001265880864 1377171476 /nfs/dbraw/zinc/17/14/76/1377171476.db2.gz XWKPBHQARFWCNE-UHFFFAOYSA-N 2 0 330.476 3.131 10 0 EGAERP O=C(CC[N@H+]1CC[C@H](F)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001136204317 1377364126 /nfs/dbraw/zinc/36/41/26/1377364126.db2.gz KWJYILBAIUXGAQ-KRWDZBQOSA-N 2 0 333.451 3.045 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266884486 1377400006 /nfs/dbraw/zinc/40/00/06/1377400006.db2.gz PLTDWYRERQMWCT-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1 ZINC001267129115 1377416221 /nfs/dbraw/zinc/41/62/21/1377416221.db2.gz IZSXWGKMCBJRQJ-MBOZVWFJSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001267181332 1377427103 /nfs/dbraw/zinc/42/71/03/1377427103.db2.gz ITXBNJPSIYSHJL-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[NH+]1CCC(C(=O)Nc2ccc(C[NH+](C)C)c(F)c2)CC1 ZINC001137060236 1377470728 /nfs/dbraw/zinc/47/07/28/1377470728.db2.gz WFXGTMRZBBNDLM-UHFFFAOYSA-N 2 0 335.467 3.194 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C)c1ccccc1 ZINC001267971200 1377481044 /nfs/dbraw/zinc/48/10/44/1377481044.db2.gz ZNHBSRAMRCAXGK-UXHICEINSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1CC1 ZINC001268156772 1377489235 /nfs/dbraw/zinc/48/92/35/1377489235.db2.gz QUQOFFXTULELJK-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001272344199 1377666347 /nfs/dbraw/zinc/66/63/47/1377666347.db2.gz RSTUZTMQTSROOK-WOJBJXKFSA-N 2 0 345.531 3.018 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001327473737 1388528840 /nfs/dbraw/zinc/52/88/40/1388528840.db2.gz BTEOMBVZOOLEJG-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC1([NH2+]CCCC2CCC2)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001327474974 1388529252 /nfs/dbraw/zinc/52/92/52/1388529252.db2.gz RNWXCBSTGMXDCS-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]Cc2ccc(C)cc2)CC1)[NH+](C)C ZINC001327488516 1388533332 /nfs/dbraw/zinc/53/33/32/1388533332.db2.gz KSSXUCMARUTMST-LJQANCHMSA-N 2 0 345.531 3.196 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)c(C)c1 ZINC001275581972 1378144500 /nfs/dbraw/zinc/14/45/00/1378144500.db2.gz KFNWWGAXOWVQGH-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)C1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001275609046 1378148202 /nfs/dbraw/zinc/14/82/02/1378148202.db2.gz KEYBHTHCWVLWJA-UHFFFAOYSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CCC(C)CC3)C[C@H]21 ZINC001279630981 1378316630 /nfs/dbraw/zinc/31/66/30/1378316630.db2.gz OMVODTZLVMAGBM-GHBBCFCZSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)[C@@H]2C1 ZINC001279630940 1378317703 /nfs/dbraw/zinc/31/77/03/1378317703.db2.gz MRBXWPYTAWEARL-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCC2CCCC2)C1)CC(C)(C)C ZINC001282059367 1378470159 /nfs/dbraw/zinc/47/01/59/1378470159.db2.gz YYJXVKOFXRAHJI-UHFFFAOYSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001282129995 1378478478 /nfs/dbraw/zinc/47/84/78/1378478478.db2.gz VRLZACZURQMEOL-ROUUACIJSA-N 2 0 345.531 3.242 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001282167563 1378482916 /nfs/dbraw/zinc/48/29/16/1378482916.db2.gz MDQSRSDJEWZTEE-QZTJIDSGSA-N 2 0 345.531 3.161 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CCC([NH2+]Cc2ccccc2F)CC1 ZINC001282275286 1378494079 /nfs/dbraw/zinc/49/40/79/1378494079.db2.gz XPGLTJXVGFXXTI-UHFFFAOYSA-N 2 0 349.494 3.025 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001282820802 1378627167 /nfs/dbraw/zinc/62/71/67/1378627167.db2.gz MTEKYOOJWXMQQK-RJCMGOLDSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C1 ZINC001282822201 1378627904 /nfs/dbraw/zinc/62/79/04/1378627904.db2.gz LQRTXXMGGILJKO-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248731 1378771121 /nfs/dbraw/zinc/77/11/21/1378771121.db2.gz OLZMKPVOHIFLNT-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001283278481 1378782382 /nfs/dbraw/zinc/78/23/82/1378782382.db2.gz MQCREIKOOFHURN-FUHWJXTLSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)C2CC[NH+](C)CC2)c1 ZINC001283664968 1379094350 /nfs/dbraw/zinc/09/43/50/1379094350.db2.gz QQKUNWPLCXJRFW-ZWKOTPCHSA-N 2 0 345.531 3.143 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001283725112 1379147561 /nfs/dbraw/zinc/14/75/61/1379147561.db2.gz XEAHPNFPRKVUBD-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001283924865 1379276825 /nfs/dbraw/zinc/27/68/25/1379276825.db2.gz BBDJMPULTQVLIB-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@H]12 ZINC001284056586 1379407677 /nfs/dbraw/zinc/40/76/77/1379407677.db2.gz HNTDEUXEJLKMGL-FPOVZHCZSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCCC3)[C@@H]2C1 ZINC001284095630 1379461651 /nfs/dbraw/zinc/46/16/51/1379461651.db2.gz IFAJVZWFEVCPIZ-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1c(C(=O)N2C[C@H](C)[C@H]([NH2+]CCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001327880903 1388614135 /nfs/dbraw/zinc/61/41/35/1388614135.db2.gz KYKAFQLUXREGGP-KBXCAEBGSA-N 2 0 342.487 3.129 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001284247110 1379630510 /nfs/dbraw/zinc/63/05/10/1379630510.db2.gz PVDUIBOTAVXEIT-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+]1C1CCCCCC1 ZINC001152052785 1379851535 /nfs/dbraw/zinc/85/15/35/1379851535.db2.gz JFEVMIIXNCUWTD-OALUTQOASA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001284702192 1380117203 /nfs/dbraw/zinc/11/72/03/1380117203.db2.gz KRTLYWGRXKOODW-QGZVFWFLSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2ccccc2CC)CC1 ZINC001328048316 1388653190 /nfs/dbraw/zinc/65/31/90/1388653190.db2.gz DYPVQVYKRSTECK-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C2(NC(=O)C[NH+]3CCC(C)CC3)CC2)CC1 ZINC001284846119 1380268767 /nfs/dbraw/zinc/26/87/67/1380268767.db2.gz KHMCWTWHOGDYFC-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CC[C@H]([NH+](C)CC)C2)cc1 ZINC001160153589 1382018006 /nfs/dbraw/zinc/01/80/06/1382018006.db2.gz OLZLTCUUIXTLQR-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001292325342 1382181380 /nfs/dbraw/zinc/18/13/80/1382181380.db2.gz UNVRCDVDWHVAQP-FQEVSTJZSA-N 2 0 345.531 3.175 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001328509757 1388768145 /nfs/dbraw/zinc/76/81/45/1388768145.db2.gz MUDOMXAGJSNQOD-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001328751710 1388842415 /nfs/dbraw/zinc/84/24/15/1388842415.db2.gz AFGKORHIKZZESO-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2C[C@@H](C)C[NH+]2C1)C1CCCCC1 ZINC001165302775 1383269314 /nfs/dbraw/zinc/26/93/14/1383269314.db2.gz LQACRNDTEIDODQ-QWFCFKBJSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+](Cc1ccccc1)C[C@H](CN1C[C@@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001167100145 1383539448 /nfs/dbraw/zinc/53/94/48/1383539448.db2.gz FKOHAVHHQADQCB-RJGXRXQPSA-N 2 0 349.522 3.053 10 0 EGAERP C[C@H](COCc1ccccc1)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001308041505 1384079756 /nfs/dbraw/zinc/07/97/56/1384079756.db2.gz VIXCYDRSMCUUAH-RBUKOAKNSA-N 2 0 339.483 3.445 10 0 EGAERP C[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001316600917 1384467620 /nfs/dbraw/zinc/46/76/20/1384467620.db2.gz CVUPBIMZCDQGOE-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601432 1384468256 /nfs/dbraw/zinc/46/82/56/1384468256.db2.gz PWDQUSPNVGNYPW-MSOLQXFVSA-N 2 0 337.552 3.076 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC[C@H]2C[C@@H]([NH2+]CCC(C)(C)C)C2)c1 ZINC001316624304 1384490093 /nfs/dbraw/zinc/49/00/93/1384490093.db2.gz LRLNBHBAQYGAJF-IZAXUBKRSA-N 2 0 345.531 3.282 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001316653392 1384506885 /nfs/dbraw/zinc/50/68/85/1384506885.db2.gz LNONAOLIIDSQTI-ZWKOTPCHSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H]1CC ZINC001316742297 1384555464 /nfs/dbraw/zinc/55/54/64/1384555464.db2.gz PGGIMRXEBJSJSQ-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1CC ZINC001316742090 1384556125 /nfs/dbraw/zinc/55/61/25/1384556125.db2.gz OAKZFEDPNJDPCZ-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCCC1CCC1 ZINC001316852974 1384641454 /nfs/dbraw/zinc/64/14/54/1384641454.db2.gz ATRFLASIDDQRHA-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001316996009 1384753060 /nfs/dbraw/zinc/75/30/60/1384753060.db2.gz UGDLFPQNNAVSFV-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP O=C(NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001317021042 1384786058 /nfs/dbraw/zinc/78/60/58/1384786058.db2.gz ZEGCCHCEZZCEEP-LJQANCHMSA-N 2 0 347.547 3.070 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317069261 1384837980 /nfs/dbraw/zinc/83/79/80/1384837980.db2.gz HXTJNOIGUZJIAX-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001317084701 1384847361 /nfs/dbraw/zinc/84/73/61/1384847361.db2.gz VTCNCMSWNYMBAQ-BZSNNMDCSA-N 2 0 337.552 3.172 10 0 EGAERP CC1CCC(C[NH2+][C@H]2C[C@H](NC(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001317097381 1384859139 /nfs/dbraw/zinc/85/91/39/1384859139.db2.gz UJAWDMUROMEGKL-FOUKWCRFSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)C[NH+](C)CCC)C1 ZINC001317099921 1384863102 /nfs/dbraw/zinc/86/31/02/1384863102.db2.gz LEXYIKIXMDKYSI-PXIXMTEYSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1c(C(=O)N[C@H]2C[C@@H]([NH2+]CCCC(C)(C)C)C2)ccc2c[nH+]cn21 ZINC001317115102 1384875624 /nfs/dbraw/zinc/87/56/24/1384875624.db2.gz JOAOYGNXINAVKG-IYBDPMFKSA-N 2 0 342.487 3.319 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317167177 1384931839 /nfs/dbraw/zinc/93/18/39/1384931839.db2.gz SXNYYKHLDGKIBJ-LJQANCHMSA-N 2 0 343.515 3.156 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CCC(C)(C)C ZINC001317241254 1385014527 /nfs/dbraw/zinc/01/45/27/1385014527.db2.gz LCXTVHJBWZABRC-IRXDYDNUSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CNC(=O)CCC[NH+]2CCCC2)c1 ZINC001317295050 1385067048 /nfs/dbraw/zinc/06/70/48/1385067048.db2.gz UMDXCBCGHLQBHX-MOPGFXCFSA-N 2 0 345.531 3.335 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317399441 1385114901 /nfs/dbraw/zinc/11/49/01/1385114901.db2.gz GEDVGWOUOKGTLM-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001317401104 1385116066 /nfs/dbraw/zinc/11/60/66/1385116066.db2.gz OMGYORRLZICHCG-VQIMIIECSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001317416976 1385126658 /nfs/dbraw/zinc/12/66/58/1385126658.db2.gz ZWLVNBKOVUGISK-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317432680 1385136828 /nfs/dbraw/zinc/13/68/28/1385136828.db2.gz UUSSQDPBDFSOFK-FQEVSTJZSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[C@@H]1CCC[N@@H+]1CCC(C)(C)C)[NH+](C)C ZINC001317434789 1385138308 /nfs/dbraw/zinc/13/83/08/1385138308.db2.gz LDSSRKAKLXEOGU-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001329102175 1388968481 /nfs/dbraw/zinc/96/84/81/1388968481.db2.gz BRVHBEQVCOIASX-DLBZAZTESA-N 2 0 335.536 3.234 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317513255 1385226081 /nfs/dbraw/zinc/22/60/81/1385226081.db2.gz JCXKNCQGYHSWHL-KPDZFXRVSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001317532268 1385258577 /nfs/dbraw/zinc/25/85/77/1385258577.db2.gz ZUFCHZYSRSPPMY-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681448 1385390264 /nfs/dbraw/zinc/39/02/64/1385390264.db2.gz IWBYJAPVLDECOZ-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@H]2[C@@H]1CCN2Cc1cccc(C[NH+]2CCCCC2)c1 ZINC001175882580 1385429596 /nfs/dbraw/zinc/42/95/96/1385429596.db2.gz JIYKTTSZOZKVLG-SFTDATJTSA-N 2 0 327.516 3.341 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001317770877 1385462132 /nfs/dbraw/zinc/46/21/32/1385462132.db2.gz WUWUHUVRRBZINT-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001317786580 1385479192 /nfs/dbraw/zinc/47/91/92/1385479192.db2.gz BTXKQMSNXZJUSV-HSALFYBXSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001317861407 1385545393 /nfs/dbraw/zinc/54/53/93/1385545393.db2.gz ABBVAZNADXWHKR-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001317861783 1385546056 /nfs/dbraw/zinc/54/60/56/1385546056.db2.gz DCMJCSKQTDOBRG-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317861963 1385546321 /nfs/dbraw/zinc/54/63/21/1385546321.db2.gz FTZKZCGXQFXARM-LJQANCHMSA-N 2 0 345.531 3.332 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001317975593 1385594934 /nfs/dbraw/zinc/59/49/34/1385594934.db2.gz PGFQIVWDUYUCDB-RLWBPELLSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001317988622 1385602528 /nfs/dbraw/zinc/60/25/28/1385602528.db2.gz YTMNXWZLZWGBPM-HKUYNNGSSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001317993782 1385605261 /nfs/dbraw/zinc/60/52/61/1385605261.db2.gz CNTNPZGRBZMZLF-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCN(C(=O)CC[NH+](C)CC)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001318485103 1385717732 /nfs/dbraw/zinc/71/77/32/1385717732.db2.gz OMIQAEVMUQCZHP-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CCC(C[NH2+]CC2(NC(=O)C3(C[NH+](C)C)CC3)CCCC2)CC1 ZINC001318654200 1385819254 /nfs/dbraw/zinc/81/92/54/1385819254.db2.gz UMORSZGEYACHLB-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001318792234 1385855395 /nfs/dbraw/zinc/85/53/95/1385855395.db2.gz CMLWMRLVUARLCJ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001318982845 1385908760 /nfs/dbraw/zinc/90/87/60/1385908760.db2.gz BOQKKGXIMUQWPW-XSLAGTTESA-N 2 0 341.515 3.016 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001318984106 1385909468 /nfs/dbraw/zinc/90/94/68/1385909468.db2.gz RAQYCEDRDVBWFR-WGSAOQKQSA-N 2 0 337.552 3.316 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(CCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001319032068 1385938194 /nfs/dbraw/zinc/93/81/94/1385938194.db2.gz UGSSHZLLTFYZKL-AATRIKPKSA-N 2 0 349.563 3.293 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001319042798 1385942945 /nfs/dbraw/zinc/94/29/45/1385942945.db2.gz AMGAMPAWOVHRRW-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001319148522 1385980817 /nfs/dbraw/zinc/98/08/17/1385980817.db2.gz BSZQYTDQPMVZTF-KDURUIRLSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H](CNC(=O)C1(C[NH+](C)C)CCCCC1)C[NH2+]CC1CCCC1 ZINC001319220750 1386011086 /nfs/dbraw/zinc/01/10/86/1386011086.db2.gz BMBPVAXLWIUWJA-KRWDZBQOSA-N 2 0 337.552 3.031 10 0 EGAERP C[C@H](C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1)[NH+]1CCCCCC1 ZINC001698632933 1406276944 /nfs/dbraw/zinc/27/69/44/1406276944.db2.gz CUWWPZJPKMTTHI-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319620835 1386214926 /nfs/dbraw/zinc/21/49/26/1386214926.db2.gz PZPNWDNFFLGCCG-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001319695583 1386256343 /nfs/dbraw/zinc/25/63/43/1386256343.db2.gz GOAFJPCKBPMULN-JNVNVXKGSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@H+]1C ZINC001319759361 1386283962 /nfs/dbraw/zinc/28/39/62/1386283962.db2.gz WQKCLXZZWPJHAK-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC(C)(C)C ZINC001319771244 1386289955 /nfs/dbraw/zinc/28/99/55/1386289955.db2.gz ZBUSPFCMWWBKFI-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001319929715 1386397794 /nfs/dbraw/zinc/39/77/94/1386397794.db2.gz QUIZPNPCWMGHJV-SFHVURJKSA-N 2 0 349.563 3.172 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001320032046 1386463116 /nfs/dbraw/zinc/46/31/16/1386463116.db2.gz CCMKJZJQJYPGOG-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C(=O)N[C@@](C)(C[NH2+]Cc1cc(C)ccc1C)C1CC1)[NH+](C)C ZINC001698651637 1406301366 /nfs/dbraw/zinc/30/13/66/1406301366.db2.gz IJLCGIJTBFXSAL-CTNGQTDRSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CCC[NH+]1CCCCC1 ZINC001320186135 1386552742 /nfs/dbraw/zinc/55/27/42/1386552742.db2.gz SPEKCQBHDZITDF-RBUKOAKNSA-N 2 0 335.536 3.093 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001320414260 1386603529 /nfs/dbraw/zinc/60/35/29/1386603529.db2.gz DBTZMANQLBSLNI-FXAWDEMLSA-N 2 0 345.531 3.106 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001320516404 1386634448 /nfs/dbraw/zinc/63/44/48/1386634448.db2.gz HTDPPHWFETWPOK-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001320928110 1386761088 /nfs/dbraw/zinc/76/10/88/1386761088.db2.gz GGHZBCRADHINRR-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP O=C(NC/C=C/C[NH2+]CCC1CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321108748 1386812006 /nfs/dbraw/zinc/81/20/06/1386812006.db2.gz GMDIXAIJZKBCFX-KPDZFXRVSA-N 2 0 347.547 3.236 10 0 EGAERP Cc1ccc(C[NH2+]C/C=C/CNC(=O)c2ccc3c[nH+]cn3c2C)cc1 ZINC001321127552 1386818028 /nfs/dbraw/zinc/81/80/28/1386818028.db2.gz VFJBJKLEIFGKLZ-ONEGZZNKSA-N 2 0 348.450 3.027 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321522625 1386921681 /nfs/dbraw/zinc/92/16/81/1386921681.db2.gz PNTIIKFNVGAEQN-SJLPKXTDSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)CC[NH+](C)C ZINC001321641383 1386947503 /nfs/dbraw/zinc/94/75/03/1386947503.db2.gz NDIXASLWFOUEPU-HZPDHXFCSA-N 2 0 333.520 3.091 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001322162249 1387083742 /nfs/dbraw/zinc/08/37/42/1387083742.db2.gz ZZHHPUBPHVBWGO-ZHALLVOQSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCCC(C)(C)C ZINC001322168393 1387085973 /nfs/dbraw/zinc/08/59/73/1387085973.db2.gz IVIGFXLWIUDDAD-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322346620 1387165863 /nfs/dbraw/zinc/16/58/63/1387165863.db2.gz PFAIHLOMYWCXAT-DSQZMVHQSA-N 2 0 349.563 3.482 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001322354986 1387168167 /nfs/dbraw/zinc/16/81/67/1387168167.db2.gz UXHJDXHOZLUHLN-MOPGFXCFSA-N 2 0 335.536 3.093 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001322694316 1387226767 /nfs/dbraw/zinc/22/67/67/1387226767.db2.gz PICKDEIEBJVQBS-SFHVURJKSA-N 2 0 347.547 3.472 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001698710200 1406351991 /nfs/dbraw/zinc/35/19/91/1406351991.db2.gz UJHLWIJOFLZDNI-LQJWVLPZSA-N 2 0 347.547 3.236 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC=C(C)C)CC1 ZINC001329256319 1389037386 /nfs/dbraw/zinc/03/73/86/1389037386.db2.gz AZLPHBUYEUXZPO-CTWPCTMYSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCCCCC1 ZINC001329460236 1389118023 /nfs/dbraw/zinc/11/80/23/1389118023.db2.gz PKLAOIDBDVMVON-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCc2cncn2C1 ZINC001329888749 1389246986 /nfs/dbraw/zinc/24/69/86/1389246986.db2.gz YLAHHXOLUNVEQU-SJORKVTESA-N 2 0 348.535 3.146 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001329935585 1389263614 /nfs/dbraw/zinc/26/36/14/1389263614.db2.gz BXAZKCBEZRSELF-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001698725845 1406375760 /nfs/dbraw/zinc/37/57/60/1406375760.db2.gz PKYVKDIJMLREIW-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001330470935 1389424529 /nfs/dbraw/zinc/42/45/29/1389424529.db2.gz UHNMBTHUHLTRPN-IPMKNSEASA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001698726780 1406377633 /nfs/dbraw/zinc/37/76/33/1406377633.db2.gz FMNGUXJEYQZZNK-GOSISDBHSA-N 2 0 343.515 3.062 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC[C@@H]2CCOC2)cc1 ZINC001330672698 1389492013 /nfs/dbraw/zinc/49/20/13/1389492013.db2.gz SQSMRFNJENALMV-TWGBQZSLSA-N 2 0 340.511 3.255 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698730593 1406380815 /nfs/dbraw/zinc/38/08/15/1406380815.db2.gz PPRPCCSTHWAUAA-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001331043433 1389607421 /nfs/dbraw/zinc/60/74/21/1389607421.db2.gz CTFKTXGDIIMCCX-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001331073930 1389620127 /nfs/dbraw/zinc/62/01/27/1389620127.db2.gz FAIDYOKYHMRAAH-ROUKRRSUSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)C[NH+]1CCC(C)CC1 ZINC001331087331 1389625329 /nfs/dbraw/zinc/62/53/29/1389625329.db2.gz AQCVQUYYZWSXTF-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001698740037 1406391324 /nfs/dbraw/zinc/39/13/24/1406391324.db2.gz WKPMJSQEKWIXTQ-FPLPWBNLSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCC[NH2+][C@H](C)CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001331515482 1389778545 /nfs/dbraw/zinc/77/85/45/1389778545.db2.gz GVJRWBXRZZYPHO-MRXNPFEDSA-N 2 0 328.460 3.113 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001331516630 1389779003 /nfs/dbraw/zinc/77/90/03/1389779003.db2.gz BLLXMGAWGFEYKC-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCC1 ZINC001331576252 1389808990 /nfs/dbraw/zinc/80/89/90/1389808990.db2.gz NQJAIYGWCNZJFS-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC1CCCC1 ZINC001331577041 1389811355 /nfs/dbraw/zinc/81/13/55/1389811355.db2.gz ZTPNNAWYOZGRBB-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001331944888 1389921913 /nfs/dbraw/zinc/92/19/13/1389921913.db2.gz WFPDDVMBXTUMCV-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001332046825 1389956387 /nfs/dbraw/zinc/95/63/87/1389956387.db2.gz HWWBTAQAYUASFP-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@H]21 ZINC001332140728 1390004809 /nfs/dbraw/zinc/00/48/09/1390004809.db2.gz PACJTGILVAWWLU-IPMKNSEASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001332158096 1390011031 /nfs/dbraw/zinc/01/10/31/1390011031.db2.gz KDLQQFLVDROJGZ-SLFFLAALSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001332949319 1390222196 /nfs/dbraw/zinc/22/21/96/1390222196.db2.gz BLIKFUQLLXSHRK-VQIMIIECSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001333003747 1390234237 /nfs/dbraw/zinc/23/42/37/1390234237.db2.gz FARAROXKKXNGSX-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CCCn1ccnc1CCC[N@H+](C)C[C@H]1CC[C@H](C(F)(F)F)O1 ZINC001333483145 1390316176 /nfs/dbraw/zinc/31/61/76/1390316176.db2.gz KIUMQLCCVOMAAP-ZIAGYGMSSA-N 2 0 333.398 3.267 10 0 EGAERP C[C@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001334946069 1390624806 /nfs/dbraw/zinc/62/48/06/1390624806.db2.gz ZTHJIVBIIFQAKZ-BRWVUGGUSA-N 2 0 337.552 3.074 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@@H](C)C1 ZINC001335059506 1390636409 /nfs/dbraw/zinc/63/64/09/1390636409.db2.gz GZMZVGYXYBATQP-VJRVKHOTSA-N 2 0 332.532 3.434 10 0 EGAERP C[C@@H]1CCc2ccccc2N1CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC001346834240 1390981254 /nfs/dbraw/zinc/98/12/54/1390981254.db2.gz IZRFDMGXNFWIGE-QGZVFWFLSA-N 2 0 347.466 3.198 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001698802158 1406479317 /nfs/dbraw/zinc/47/93/17/1406479317.db2.gz BWFHVUNWTGJWKP-QZTJIDSGSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CCC2CCCC2)CCCC1 ZINC001698804488 1406484199 /nfs/dbraw/zinc/48/41/99/1406484199.db2.gz VIIAGMSBMAUDBX-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP CCC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C1([NH+](C)C)CCC1)CC2 ZINC001698805904 1406487180 /nfs/dbraw/zinc/48/71/80/1406487180.db2.gz ZKEWEPATBWZWTE-SREVYHEPSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001488837966 1391731739 /nfs/dbraw/zinc/73/17/39/1391731739.db2.gz JSCAEGYYTQPIES-ULQDDVLXSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001488839055 1391732439 /nfs/dbraw/zinc/73/24/39/1391732439.db2.gz XSDPVZVARGRVAQ-QAQDUYKDSA-N 2 0 335.536 3.090 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001479307705 1392209390 /nfs/dbraw/zinc/20/93/90/1392209390.db2.gz YJGUSDPHROAJFF-FPXTWJHWSA-N 2 0 340.471 3.097 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001479526042 1392269779 /nfs/dbraw/zinc/26/97/79/1392269779.db2.gz FJFRZTDQDVPBGT-NYQZOWANSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001479690396 1392321906 /nfs/dbraw/zinc/32/19/06/1392321906.db2.gz OJXRMESXENQQKA-GOSISDBHSA-N 2 0 349.494 3.028 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001479692169 1392323314 /nfs/dbraw/zinc/32/33/14/1392323314.db2.gz JMVIRPNFWXITIJ-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1)[NH+](C)C ZINC001479735693 1392346339 /nfs/dbraw/zinc/34/63/39/1392346339.db2.gz AFHNJRWDYFUOGF-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)C1 ZINC001479740122 1392353259 /nfs/dbraw/zinc/35/32/59/1392353259.db2.gz ZLZDEZRFDQJDEF-UXHICEINSA-N 2 0 347.547 3.142 10 0 EGAERP Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001479776072 1392381877 /nfs/dbraw/zinc/38/18/77/1392381877.db2.gz AYCSLVIBRRJJIO-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001698857706 1406566278 /nfs/dbraw/zinc/56/62/78/1406566278.db2.gz RHNWHEWQRTWRBZ-PKOBYXMFSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001479889703 1392460192 /nfs/dbraw/zinc/46/01/92/1392460192.db2.gz KFYWCMFQCADYET-VQTJNVASSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C1CC[NH+](CCC2=CCCCC2)CC1 ZINC001479894974 1392464115 /nfs/dbraw/zinc/46/41/15/1392464115.db2.gz AKFDAQKXKVWVRE-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CCC(N(C)C(=O)CCCC[NH+](C)C)CC1 ZINC001479895535 1392464205 /nfs/dbraw/zinc/46/42/05/1392464205.db2.gz LCYWETWHGAQXGF-SFHVURJKSA-N 2 0 345.531 3.402 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001479972858 1392509658 /nfs/dbraw/zinc/50/96/58/1392509658.db2.gz ZKRCKALCHWSJAQ-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480155176 1392603045 /nfs/dbraw/zinc/60/30/45/1392603045.db2.gz KOIAZMZFZBTDDS-LNLFQRSKSA-N 2 0 335.536 3.211 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480290550 1392661976 /nfs/dbraw/zinc/66/19/76/1392661976.db2.gz PQXKMNDJNRZUIH-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480291203 1392662068 /nfs/dbraw/zinc/66/20/68/1392662068.db2.gz FARIVANUEWWIRA-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001480300794 1392666049 /nfs/dbraw/zinc/66/60/49/1392666049.db2.gz QIKQWENNWLAXGB-UXHICEINSA-N 2 0 347.547 3.047 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001480318496 1392678239 /nfs/dbraw/zinc/67/82/39/1392678239.db2.gz IUHDBYPJWKTVEH-IPLHWJFFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1)[NH+](C)C ZINC001480350881 1392699804 /nfs/dbraw/zinc/69/98/04/1392699804.db2.gz FDUNQWNTGJLDJY-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001480357607 1392703732 /nfs/dbraw/zinc/70/37/32/1392703732.db2.gz ALWFASJBWLXUFL-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001480364498 1392708436 /nfs/dbraw/zinc/70/84/36/1392708436.db2.gz VUFUBGFUAGOZFI-PRPIBZDOSA-N 2 0 349.563 3.434 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001480411308 1392747238 /nfs/dbraw/zinc/74/72/38/1392747238.db2.gz KTSHMVACNXNIIH-UHFFFAOYSA-N 2 0 347.547 3.380 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001480597271 1392812520 /nfs/dbraw/zinc/81/25/20/1392812520.db2.gz OIBOUFNQEBRQCL-AEFFLSMTSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480682148 1392850655 /nfs/dbraw/zinc/85/06/55/1392850655.db2.gz CPGKKRGNBLGLTN-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC(C)(C)C)C1 ZINC001480710072 1392872100 /nfs/dbraw/zinc/87/21/00/1392872100.db2.gz UYFHNGUYSUOYOZ-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)CCC2CCCCC2)C1 ZINC001480733973 1392898602 /nfs/dbraw/zinc/89/86/02/1392898602.db2.gz WVGUFJNBJVPYPR-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001698878705 1406605680 /nfs/dbraw/zinc/60/56/80/1406605680.db2.gz CDGJZZLFAZTPRR-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC=C(C)C)C2CCCCC2)CC[N@@H+]1C ZINC001698879793 1406607167 /nfs/dbraw/zinc/60/71/67/1406607167.db2.gz LCJSPIKIMIBCCS-SLFFLAALSA-N 2 0 349.563 3.338 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)CC1CCCCC1 ZINC001481012247 1393088538 /nfs/dbraw/zinc/08/85/38/1393088538.db2.gz WANAMSRVKHBTFW-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001481098519 1393119552 /nfs/dbraw/zinc/11/95/52/1393119552.db2.gz BHAYAZULZBHVPD-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481112503 1393122880 /nfs/dbraw/zinc/12/28/80/1393122880.db2.gz KEHDVFTWJRRECL-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)C1(C(=O)NCC[N@H+](CCC2CCCCC2)C2CC2)CCC1 ZINC001481172814 1393141126 /nfs/dbraw/zinc/14/11/26/1393141126.db2.gz IKMFUTDEGSITHI-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]([NH2+]CCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001481278803 1393157358 /nfs/dbraw/zinc/15/73/58/1393157358.db2.gz ABKWNIXJJGSQFT-JXFKEZNVSA-N 2 0 349.494 3.008 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001481344482 1393168968 /nfs/dbraw/zinc/16/89/68/1393168968.db2.gz YDQQTYXLJOTTHT-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938767 1406679109 /nfs/dbraw/zinc/67/91/09/1406679109.db2.gz NWZIDNXJZMUBHK-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CC=C(C)C)c2ccccc2)CC[N@@H+]1C ZINC001481367312 1394206958 /nfs/dbraw/zinc/20/69/58/1394206958.db2.gz PXCPIXLKWDLAFV-XUVXKRRUSA-N 2 0 343.515 3.130 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001698946997 1406686711 /nfs/dbraw/zinc/68/67/11/1406686711.db2.gz RCVDHHNAQJBLMQ-ZMGAVLDPSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001490838241 1394358848 /nfs/dbraw/zinc/35/88/48/1394358848.db2.gz QCEHFAVILPQWDW-IIMWHKGRSA-N 2 0 347.547 3.330 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001481525732 1394376808 /nfs/dbraw/zinc/37/68/08/1394376808.db2.gz HHYCAMYHNXQMRN-RBUKOAKNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491154020 1394452616 /nfs/dbraw/zinc/45/26/16/1394452616.db2.gz ZGXYANGZGMHYGM-PDTMIUJASA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001491156137 1394453330 /nfs/dbraw/zinc/45/33/30/1394453330.db2.gz IQFPAQBYRRTJRU-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001491251989 1394491842 /nfs/dbraw/zinc/49/18/42/1394491842.db2.gz HAZFDIHCHGCUFD-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001491253887 1394492969 /nfs/dbraw/zinc/49/29/69/1394492969.db2.gz WRMIAPZDQJMIGI-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001481748407 1394493806 /nfs/dbraw/zinc/49/38/06/1394493806.db2.gz XBUZDXYKKPMSDB-ICSRJNTNSA-N 2 0 345.531 3.321 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001491271304 1394498964 /nfs/dbraw/zinc/49/89/64/1394498964.db2.gz NKECUJBVALBSFM-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CCCc1ccc(C[N@@H+]2CC[C@H](N(CC)C(=O)CC[NH+](C)C)C2)cc1 ZINC001481773882 1394518410 /nfs/dbraw/zinc/51/84/10/1394518410.db2.gz FGNOFXDHQCQYSV-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP C[C@H](F)CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001481909633 1394591004 /nfs/dbraw/zinc/59/10/04/1394591004.db2.gz KGNBYIUMWJYHEQ-INIZCTEOSA-N 2 0 349.494 3.129 10 0 EGAERP CC(C)C[NH2+]CCC1CCN(C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001482008376 1394668006 /nfs/dbraw/zinc/66/80/06/1394668006.db2.gz QQBRIUKTRILMIC-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001482020191 1394676770 /nfs/dbraw/zinc/67/67/70/1394676770.db2.gz JBQNGRDCPCTEFO-IYARVYRRSA-N 2 0 337.552 3.458 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001482022455 1394679760 /nfs/dbraw/zinc/67/97/60/1394679760.db2.gz IXXHEDOJYXNUEJ-OJTDBYKOSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001482027592 1394686523 /nfs/dbraw/zinc/68/65/23/1394686523.db2.gz IYBPZDMRMQZXHF-GUDVDZBRSA-N 2 0 345.531 3.413 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)C1 ZINC001482035028 1394695463 /nfs/dbraw/zinc/69/54/63/1394695463.db2.gz LFPXHFREOLNMRQ-IBGZPJMESA-N 2 0 345.531 3.170 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCCC3CCCC3)CCCC2)C1 ZINC001482229676 1394824143 /nfs/dbraw/zinc/82/41/43/1394824143.db2.gz FECOPUUQOJAVKE-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001482381584 1394941417 /nfs/dbraw/zinc/94/14/17/1394941417.db2.gz XRRKPAQARNSACB-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@H]1C ZINC001482425503 1394986568 /nfs/dbraw/zinc/98/65/68/1394986568.db2.gz SEXZEYBKKZPNNC-ASIGSXEYSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001482431318 1394992190 /nfs/dbraw/zinc/99/21/90/1394992190.db2.gz AYDOWNBHOMBDRM-MJGOQNOKSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001482478239 1395032381 /nfs/dbraw/zinc/03/23/81/1395032381.db2.gz LFFCCYCGPLLNBZ-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCC(C)(C)C)C1 ZINC001482481569 1395035449 /nfs/dbraw/zinc/03/54/49/1395035449.db2.gz ZXYCAHAKVAVZRZ-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501632 1395054239 /nfs/dbraw/zinc/05/42/39/1395054239.db2.gz RGVUZKKYUUZEQR-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCCCC1 ZINC001482533604 1395075184 /nfs/dbraw/zinc/07/51/84/1395075184.db2.gz ZCHFPJGSGRIGFU-PMACEKPBSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001483932375 1395150140 /nfs/dbraw/zinc/15/01/40/1395150140.db2.gz FFLSFULDURLCRJ-MRXNPFEDSA-N 2 0 337.533 3.050 10 0 EGAERP CCCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001483967261 1395167731 /nfs/dbraw/zinc/16/77/31/1395167731.db2.gz KFUXKKGLZKXYRR-SFHVURJKSA-N 2 0 337.552 3.410 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001484047222 1395211941 /nfs/dbraw/zinc/21/19/41/1395211941.db2.gz ITHODJOBOAVUTN-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001484116269 1395260301 /nfs/dbraw/zinc/26/03/01/1395260301.db2.gz YQWRULWQTWADAS-NRFANRHFSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001484164487 1395299413 /nfs/dbraw/zinc/29/94/13/1395299413.db2.gz YBNHMWQXMPYNHI-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001484321870 1395340528 /nfs/dbraw/zinc/34/05/28/1395340528.db2.gz WIJPLBHHORKEMZ-UFYCRDLUSA-N 2 0 347.547 3.022 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCCC1)C(=O)[C@H]1CCCC[NH+]1C ZINC001484747339 1395500743 /nfs/dbraw/zinc/50/07/43/1395500743.db2.gz GFISMYZICOSODL-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CC1CC[NH+](C)CC1 ZINC001484760994 1395513374 /nfs/dbraw/zinc/51/33/74/1395513374.db2.gz OQQBEKWZYWMAQU-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001484816909 1395551627 /nfs/dbraw/zinc/55/16/27/1395551627.db2.gz SGHWHPFKOBXJDW-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC1([NH2+]CCC2CCCCC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001484819301 1395552618 /nfs/dbraw/zinc/55/26/18/1395552618.db2.gz LOHMHTXTTQQEDH-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)CCc2cncn2C)CC1 ZINC001484819460 1395553393 /nfs/dbraw/zinc/55/33/93/1395553393.db2.gz PWFXMYWBICIUJI-UHFFFAOYSA-N 2 0 348.535 3.150 10 0 EGAERP CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](CC)CC ZINC001484825900 1395562071 /nfs/dbraw/zinc/56/20/71/1395562071.db2.gz XRYSSKDXGNWSBT-PMACEKPBSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccc2c(c1)C[N@@H+](CC1CC(C)(C)C1)C2 ZINC001484875911 1395580030 /nfs/dbraw/zinc/58/00/30/1395580030.db2.gz UUOSDPVRTYHHMO-UHFFFAOYSA-N 2 0 343.515 3.006 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001484895279 1395590609 /nfs/dbraw/zinc/59/06/09/1395590609.db2.gz LKYCNDHPGZSEFH-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001485161187 1395675985 /nfs/dbraw/zinc/67/59/85/1395675985.db2.gz AUIZTCFYKFSXKK-QZTJIDSGSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001485227107 1395722157 /nfs/dbraw/zinc/72/21/57/1395722157.db2.gz VAISQQOVYFYLTD-QZTJIDSGSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@H](NC(=O)CC[NH+]1CCCCC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001485229346 1395722742 /nfs/dbraw/zinc/72/27/42/1395722742.db2.gz IWDXLMJDFOUIBO-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001485229342 1395723285 /nfs/dbraw/zinc/72/32/85/1395723285.db2.gz IWDXLMJDFOUIBO-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001485239455 1395733110 /nfs/dbraw/zinc/73/31/10/1395733110.db2.gz OZKKXVDENVEQRC-BKBBAENRSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)C[NH2+][C@@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436847 1395903974 /nfs/dbraw/zinc/90/39/74/1395903974.db2.gz ADYSKZQZLYEYMM-RBUKOAKNSA-N 2 0 339.568 3.368 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1C[NH+](CCCC(C)(C)C)C1 ZINC001485510063 1395988994 /nfs/dbraw/zinc/98/89/94/1395988994.db2.gz MORUMVNLEWETOM-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CC(C)(C)C1 ZINC001698997047 1406796690 /nfs/dbraw/zinc/79/66/90/1406796690.db2.gz INYZLIZWCCVEGI-GOSISDBHSA-N 2 0 337.552 3.076 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CCC[N@H+](CCCC1CCC1)C2 ZINC001485667140 1396096041 /nfs/dbraw/zinc/09/60/41/1396096041.db2.gz ZAGSYPDHKNWOPX-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1ccc(F)cc1)NC(=O)C1CC[NH+](C)CC1 ZINC001485736380 1396123428 /nfs/dbraw/zinc/12/34/28/1396123428.db2.gz OYFNKEGPVROCKD-CVEARBPZSA-N 2 0 349.494 3.103 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC2CC3(CCC3)C2)CC1 ZINC001485766505 1396143271 /nfs/dbraw/zinc/14/32/71/1396143271.db2.gz KBZSACIZQOLTHY-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001485784766 1396153339 /nfs/dbraw/zinc/15/33/39/1396153339.db2.gz AGJLCQSBXIYQLS-GOSISDBHSA-N 2 0 349.563 3.172 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485930472 1396170257 /nfs/dbraw/zinc/17/02/57/1396170257.db2.gz SBRIXOVFJPBYDW-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001486146819 1396179539 /nfs/dbraw/zinc/17/95/39/1396179539.db2.gz OPANFILNOORXHJ-YLJYHZDGSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001486236046 1396186151 /nfs/dbraw/zinc/18/61/51/1396186151.db2.gz LNDZJNUJTWGHLS-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001486241708 1396187847 /nfs/dbraw/zinc/18/78/47/1396187847.db2.gz YRCGHSSJSFCVQX-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001503290847 1396249919 /nfs/dbraw/zinc/24/99/19/1396249919.db2.gz SKFGNJJRJHDGSG-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699001515 1406812897 /nfs/dbraw/zinc/81/28/97/1406812897.db2.gz XNTWTSWYDLJIGA-ROUUACIJSA-N 2 0 339.568 3.323 10 0 EGAERP Cc1c(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)ccc2c[nH+]cn21 ZINC001492159917 1396309983 /nfs/dbraw/zinc/30/99/83/1396309983.db2.gz LRYZAYFVZOVFFA-KRWDZBQOSA-N 2 0 340.471 3.027 10 0 EGAERP C[N@@H+](CC/C=C\c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492370217 1396321391 /nfs/dbraw/zinc/32/13/91/1396321391.db2.gz QZOMNUABNVDBTD-QPEQYQDCSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccc(Cl)cc1 ZINC001495817292 1396564184 /nfs/dbraw/zinc/56/41/84/1396564184.db2.gz YBTNLTWYKALCFH-LSDHHAIUSA-N 2 0 339.911 3.083 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001496350362 1396660934 /nfs/dbraw/zinc/66/09/34/1396660934.db2.gz HKDQEUROGHPEOE-WFRZBGSESA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)cc1C ZINC001496576195 1396716740 /nfs/dbraw/zinc/71/67/40/1396716740.db2.gz WTUYYHXSJCWBJX-VQTJNVASSA-N 2 0 345.531 3.018 10 0 EGAERP CN(CC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)CC[NH+]1CCCCC1 ZINC001699011247 1406841961 /nfs/dbraw/zinc/84/19/61/1406841961.db2.gz SGAHGVUBCVCMML-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001497299686 1396745934 /nfs/dbraw/zinc/74/59/34/1396745934.db2.gz MVHSZNOQUCQOGB-MRXNPFEDSA-N 2 0 349.563 3.029 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)C[NH+]1CCC(C)CC1 ZINC001497471239 1396759909 /nfs/dbraw/zinc/75/99/09/1396759909.db2.gz JDYBZEXIAAWCQC-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP O=C(N[C@H]1CCC[C@@H]1C[NH2+]CCCC1CCC1)C12CCC[NH+]1CCC2 ZINC001699021549 1406855833 /nfs/dbraw/zinc/85/58/33/1406855833.db2.gz LAYJEZGINOPYOC-MOPGFXCFSA-N 2 0 347.547 3.070 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001498316739 1396964764 /nfs/dbraw/zinc/96/47/64/1396964764.db2.gz NGEXCDITPDMLCH-OXQOHEQNSA-N 2 0 341.499 3.117 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](C/C=C\c2ccccc2)[C@@H]1CC ZINC001689194247 1396967932 /nfs/dbraw/zinc/96/79/32/1396967932.db2.gz QCINEIBZXPXHKA-KLMKZAPQSA-N 2 0 343.515 3.011 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001689262750 1396995958 /nfs/dbraw/zinc/99/59/58/1396995958.db2.gz VKLYGXIPZNZANS-VMASUYHGSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]C/C=C\Cl)C1)[NH+](CC)CC ZINC001689267395 1396998611 /nfs/dbraw/zinc/99/86/11/1396998611.db2.gz JDUOJPCXUWJLPO-IYKCHKFDSA-N 2 0 343.943 3.220 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001689267941 1396999219 /nfs/dbraw/zinc/99/92/19/1396999219.db2.gz UUDOEUUDXRPEGO-ASIGSXEYSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@H+](CC(=O)N1CCCCC[C@@H]([NH2+]CCC2CC2)C1)CC(C)(C)C ZINC001689270055 1397001405 /nfs/dbraw/zinc/00/14/05/1397001405.db2.gz GVXLXKUSLRKQAP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001689270757 1397003643 /nfs/dbraw/zinc/00/36/43/1397003643.db2.gz VREOZIHOHFVKNJ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001689271119 1397004744 /nfs/dbraw/zinc/00/47/44/1397004744.db2.gz CONYUSGMBPBAJS-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CC(CC)CC)CC(C)(C)C1 ZINC001689365284 1403705134 /nfs/dbraw/zinc/70/51/34/1403705134.db2.gz CFZQOPHRGIMQRO-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689821067 1404160236 /nfs/dbraw/zinc/16/02/36/1404160236.db2.gz MYDMNINGGCXIPM-QGZVFWFLSA-N 2 0 331.504 3.060 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1cccc(F)c1 ZINC001689933016 1404215169 /nfs/dbraw/zinc/21/51/69/1404215169.db2.gz XKXQVEFPTSMDTA-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC1 ZINC001690012382 1404254616 /nfs/dbraw/zinc/25/46/16/1404254616.db2.gz AZJFOMZLLIYUMG-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001690030640 1404269498 /nfs/dbraw/zinc/26/94/98/1404269498.db2.gz CUDTZUQJNKPWBA-PLNGDYQASA-N 2 0 335.536 3.142 10 0 EGAERP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001690135598 1404331698 /nfs/dbraw/zinc/33/16/98/1404331698.db2.gz MLJJVNQJTSLLTJ-KBAYOESNSA-N 2 0 346.519 3.262 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@H]([NH2+]CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001690164875 1404363781 /nfs/dbraw/zinc/36/37/81/1404363781.db2.gz OSOAQJOUXDYDGN-VDGAXYAQSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170848 1404368767 /nfs/dbraw/zinc/36/87/67/1404368767.db2.gz BRBSEGCUXNKQMY-MOPGFXCFSA-N 2 0 349.563 3.170 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690394382 1404536799 /nfs/dbraw/zinc/53/67/99/1404536799.db2.gz YRKLAXFXRVQCNO-RTBURBONSA-N 2 0 345.531 3.224 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@H]2CCCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001690436297 1404559010 /nfs/dbraw/zinc/55/90/10/1404559010.db2.gz LXIDGLMYAJYTON-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)c1ccccc1C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001690454936 1404583616 /nfs/dbraw/zinc/58/36/16/1404583616.db2.gz OCDXXUNPMUOWCO-LJQANCHMSA-N 2 0 345.531 3.232 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001690473170 1404596587 /nfs/dbraw/zinc/59/65/87/1404596587.db2.gz JNFSHKZWXRQGKI-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499505 1404612443 /nfs/dbraw/zinc/61/24/43/1404612443.db2.gz WGQOVFFGMBPRNY-SJLPKXTDSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505794 1404618276 /nfs/dbraw/zinc/61/82/76/1404618276.db2.gz XOQOTMLBORQAAB-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CC[N@@H+]1C ZINC001690707856 1404694225 /nfs/dbraw/zinc/69/42/25/1404694225.db2.gz DXHFMGMAHGLMOT-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725176170 1425692894 /nfs/dbraw/zinc/69/28/94/1425692894.db2.gz XFJAQDIVJSSCES-KXPUMZMLSA-N 2 0 342.487 3.439 10 0 EGAERP CC[C@@H](C)C[N@H+](CC)CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001691037098 1404944985 /nfs/dbraw/zinc/94/49/85/1404944985.db2.gz CBOARUPBQHFPJP-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)N(C)C[C@@H]2CC[N@H+]2CCCC(C)C)ccc2c[nH+]cn21 ZINC001691048764 1404962979 /nfs/dbraw/zinc/96/29/79/1404962979.db2.gz ZEUHOOWKLIBUQD-SFHVURJKSA-N 2 0 342.487 3.225 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001691105838 1405045560 /nfs/dbraw/zinc/04/55/60/1405045560.db2.gz LHMYRZORECZVNQ-OALUTQOASA-N 2 0 345.531 3.287 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001691142987 1405076261 /nfs/dbraw/zinc/07/62/61/1405076261.db2.gz HVUOJLDAKPGBGF-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001691178112 1405115575 /nfs/dbraw/zinc/11/55/75/1405115575.db2.gz MXWVGKCTNNPKDL-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC2(C[C@@H]1C)CC[NH+](CCC(C)C)CC2 ZINC001691277161 1405188252 /nfs/dbraw/zinc/18/82/52/1405188252.db2.gz QRPQJVQRPHJYIB-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001691309292 1405202081 /nfs/dbraw/zinc/20/20/81/1405202081.db2.gz OFVQQJXXAFWGLK-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)CCCC[NH+](C)C)c(C)c1 ZINC001691410731 1405248355 /nfs/dbraw/zinc/24/83/55/1405248355.db2.gz SOEJJFRVOCTXKP-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCCC3)[C@H]2C1(C)C ZINC001691428081 1405262414 /nfs/dbraw/zinc/26/24/14/1405262414.db2.gz IVGOLPZMYHPPJO-DFQSSKMNSA-N 2 0 349.563 3.122 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@H]([NH2+]CCCC2CCC2)C1 ZINC001691629031 1405366643 /nfs/dbraw/zinc/36/66/43/1405366643.db2.gz GYKXIUOJDGWZSZ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2ccc(F)cc2)C1 ZINC001691656870 1405389925 /nfs/dbraw/zinc/38/99/25/1405389925.db2.gz VEPRYYUZIBJPIU-JTDSTZFVSA-N 2 0 349.494 3.103 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H]1CC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001691680788 1405416174 /nfs/dbraw/zinc/41/61/74/1405416174.db2.gz IILPUNQLAOMEKL-RBUKOAKNSA-N 2 0 345.531 3.018 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691691537 1405425747 /nfs/dbraw/zinc/42/57/47/1405425747.db2.gz AZYWCVNAOXNNQM-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001691691687 1405425917 /nfs/dbraw/zinc/42/59/17/1405425917.db2.gz CFHPXQNODQXNHT-GOSISDBHSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001691745763 1405466335 /nfs/dbraw/zinc/46/63/35/1405466335.db2.gz PXRUFILOKNDLIW-RDGPPVDQSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001691757457 1405474373 /nfs/dbraw/zinc/47/43/73/1405474373.db2.gz ISHFERCFYUMXCD-GBESFXJTSA-N 2 0 345.531 3.189 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001691757964 1405474728 /nfs/dbraw/zinc/47/47/28/1405474728.db2.gz OXPLDHUXHLDKKO-TVFCKZIOSA-N 2 0 337.552 3.170 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001691818782 1405533727 /nfs/dbraw/zinc/53/37/27/1405533727.db2.gz JZIRWCPYQZLENF-GIFJBRJJSA-N 2 0 337.552 3.291 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1)[NH+](CC)CC ZINC001691819330 1405536300 /nfs/dbraw/zinc/53/63/00/1405536300.db2.gz SRBMROXNQYDUSB-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC=C(C)C)C1 ZINC001691853549 1405570540 /nfs/dbraw/zinc/57/05/40/1405570540.db2.gz YTMLCFSPPPLQMH-RBUKOAKNSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001691923816 1405655044 /nfs/dbraw/zinc/65/50/44/1405655044.db2.gz CRMGHJXLKHAKGF-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCC1 ZINC001691984096 1405696989 /nfs/dbraw/zinc/69/69/89/1405696989.db2.gz ZWQXQJIDCBOJJM-CEXWTWQISA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CCCC1 ZINC001692011772 1405730392 /nfs/dbraw/zinc/73/03/92/1405730392.db2.gz FPRDCOMSLKFYJT-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001692128156 1405786987 /nfs/dbraw/zinc/78/69/87/1405786987.db2.gz HDHUFAHMYQFNOD-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001731911237 1428168354 /nfs/dbraw/zinc/16/83/54/1428168354.db2.gz QJFQDTMDHLOMLC-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](N(CC)C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001698581906 1406194457 /nfs/dbraw/zinc/19/44/57/1406194457.db2.gz PBGVWCLFFYPWLH-NHJLWNIQSA-N 2 0 349.563 3.386 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698583462 1406197179 /nfs/dbraw/zinc/19/71/79/1406197179.db2.gz XPDNSWCKUQXBPW-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001698584232 1406198969 /nfs/dbraw/zinc/19/89/69/1406198969.db2.gz ZFNYMGLSYKFXJR-AFMYVXGZSA-N 2 0 349.563 3.220 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001732036447 1428258155 /nfs/dbraw/zinc/25/81/55/1428258155.db2.gz UQFUDCFWOSXEGR-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732038018 1428261349 /nfs/dbraw/zinc/26/13/49/1428261349.db2.gz BAFDQJBAWNZWRA-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[NH+]1C)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001732039229 1428265097 /nfs/dbraw/zinc/26/50/97/1428265097.db2.gz QJYHVQUSOVEANP-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CCNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001732051128 1428291100 /nfs/dbraw/zinc/29/11/00/1428291100.db2.gz OJBWRYGRFXVFEG-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001732051786 1428291969 /nfs/dbraw/zinc/29/19/69/1428291969.db2.gz BDJKWYBJMHMGPR-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732052402 1428293751 /nfs/dbraw/zinc/29/37/51/1428293751.db2.gz HRAJOIJQYXYWKE-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)NCC[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001732055552 1428298660 /nfs/dbraw/zinc/29/86/60/1428298660.db2.gz YQUINPGGCDSFRB-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001732080937 1428334562 /nfs/dbraw/zinc/33/45/62/1428334562.db2.gz NDPLLYSUCIWNQO-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001732087664 1428349762 /nfs/dbraw/zinc/34/97/62/1428349762.db2.gz BDTYINIRXBAEJQ-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001732090158 1428355317 /nfs/dbraw/zinc/35/53/17/1428355317.db2.gz AGHXKXUEBCENFR-NLWGTHIKSA-N 2 0 345.531 3.285 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](C)c2cc(C)ccc2C)C1)[NH+](C)C ZINC001732090159 1428355729 /nfs/dbraw/zinc/35/57/29/1428355729.db2.gz AGHXKXUEBCENFR-QWFCFKBJSA-N 2 0 345.531 3.285 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001732197506 1428448616 /nfs/dbraw/zinc/44/86/16/1428448616.db2.gz BBYUWJISRLHIBJ-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732212158 1428460260 /nfs/dbraw/zinc/46/02/60/1428460260.db2.gz PRWUHGRXIFBBJQ-RQUZMNLWSA-N 2 0 341.515 3.040 10 0 EGAERP CC[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]Cc1ccsc1 ZINC001732214612 1428462570 /nfs/dbraw/zinc/46/25/70/1428462570.db2.gz AKUDUOLIRQQLMI-GOSISDBHSA-N 2 0 345.512 3.108 10 0 EGAERP CC[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1CC2(CCC2)C1 ZINC001732220762 1428469209 /nfs/dbraw/zinc/46/92/09/1428469209.db2.gz WHGNQXKDWUPDFT-IBGZPJMESA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCCC(C)(C)C)C1 ZINC001732267666 1428505579 /nfs/dbraw/zinc/50/55/79/1428505579.db2.gz RPUBIZJEJQYBBJ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001732326271 1428534796 /nfs/dbraw/zinc/53/47/96/1428534796.db2.gz WPZZSFGPTLTLMG-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C2CC[NH+](C)CC2)c1 ZINC001732358487 1428547182 /nfs/dbraw/zinc/54/71/82/1428547182.db2.gz QFOKEXTZXVMOFG-FUHWJXTLSA-N 2 0 345.531 3.048 10 0 EGAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001732396095 1428563537 /nfs/dbraw/zinc/56/35/37/1428563537.db2.gz GRZORSWZCRGAOM-IAGOWNOFSA-N 2 0 341.515 3.016 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001732430982 1428577715 /nfs/dbraw/zinc/57/77/15/1428577715.db2.gz XBKCOLLVPVKNEI-LQYUOIDQSA-N 2 0 328.460 3.049 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001732494320 1428616111 /nfs/dbraw/zinc/61/61/11/1428616111.db2.gz SKEOIVPNWCRRPA-PXNSSMCTSA-N 2 0 345.531 3.235 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@H](C)C1 ZINC001732496126 1428618083 /nfs/dbraw/zinc/61/80/83/1428618083.db2.gz QIYSKTLAGBFZER-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001732523056 1428641964 /nfs/dbraw/zinc/64/19/64/1428641964.db2.gz FEUQVGCFTDFWBF-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732528474 1428648359 /nfs/dbraw/zinc/64/83/59/1428648359.db2.gz JXAGAJFEQOSCOE-UYAOXDASSA-N 2 0 349.563 3.290 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001732530362 1428651004 /nfs/dbraw/zinc/65/10/04/1428651004.db2.gz VBNSHDDSRDOGDI-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732532378 1428653462 /nfs/dbraw/zinc/65/34/62/1428653462.db2.gz OUHZRFHLQVANDP-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699127683 1412523460 /nfs/dbraw/zinc/52/34/60/1412523460.db2.gz ZLLZFVMYXZGVGR-ADKAHSJRSA-N 2 0 337.552 3.172 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001699188363 1412561191 /nfs/dbraw/zinc/56/11/91/1412561191.db2.gz JIFLHQTYUUYPAH-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001699188831 1412561582 /nfs/dbraw/zinc/56/15/82/1412561582.db2.gz QZZZPQSANSDDLG-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699206744 1412574582 /nfs/dbraw/zinc/57/45/82/1412574582.db2.gz GUCHZTCXOJHKLT-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CCN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699206745 1412574649 /nfs/dbraw/zinc/57/46/49/1412574649.db2.gz GUCHZTCXOJHKLT-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001699208419 1412575130 /nfs/dbraw/zinc/57/51/30/1412575130.db2.gz ZFZCPSOCHOUNND-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001699365161 1412671599 /nfs/dbraw/zinc/67/15/99/1412671599.db2.gz WQVJKLCWSRAYFW-YLJYHZDGSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001699388878 1412702577 /nfs/dbraw/zinc/70/25/77/1412702577.db2.gz ZQIGMBBLPOCOPY-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001699433628 1412753146 /nfs/dbraw/zinc/75/31/46/1412753146.db2.gz WHCZDPKLSHHLMJ-AZUAARDMSA-N 2 0 345.531 3.081 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)cc1C ZINC001699474179 1412862015 /nfs/dbraw/zinc/86/20/15/1412862015.db2.gz KFWFIXGJIFDIKO-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699474908 1412866427 /nfs/dbraw/zinc/86/64/27/1412866427.db2.gz YDZRCDCPEWKRRO-CABCVRRESA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699474910 1412867198 /nfs/dbraw/zinc/86/71/98/1412867198.db2.gz YDZRCDCPEWKRRO-HUUCEWRRSA-N 2 0 339.911 3.178 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001699486914 1412882879 /nfs/dbraw/zinc/88/28/79/1412882879.db2.gz QYTOWVNWWSTJHD-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CN(CCC[NH2+]CC1CCCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699509209 1412897840 /nfs/dbraw/zinc/89/78/40/1412897840.db2.gz LJLCLQZQLSYECA-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001699539956 1412913769 /nfs/dbraw/zinc/91/37/69/1412913769.db2.gz YWGBESBLPFHKPY-FQEVSTJZSA-N 2 0 345.531 3.308 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001699587914 1412945717 /nfs/dbraw/zinc/94/57/17/1412945717.db2.gz IWMXEZJFMXQOQV-PMACEKPBSA-N 2 0 347.547 3.234 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@@H]2CC[N@H+](CC3CC3)C2)CC1)[NH+](CC)CC ZINC001699676042 1413070155 /nfs/dbraw/zinc/07/01/55/1413070155.db2.gz GQHJWVHLERMEHQ-WOJBJXKFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001699681755 1413075937 /nfs/dbraw/zinc/07/59/37/1413075937.db2.gz ZADCPOHAGSTALK-XUBOLADHSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CCCCCC1 ZINC001699684313 1413080438 /nfs/dbraw/zinc/08/04/38/1413080438.db2.gz YYPZUDRSUOBJHA-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCCCC1 ZINC001699692716 1413099330 /nfs/dbraw/zinc/09/93/30/1413099330.db2.gz NMXIFFKCGJYIPZ-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001699752425 1413159969 /nfs/dbraw/zinc/15/99/69/1413159969.db2.gz UAEVEZNIKACEKU-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001699766028 1413171052 /nfs/dbraw/zinc/17/10/52/1413171052.db2.gz CGAZQNXGAZZWQT-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H]([NH2+]C[C@H]1CCCN1C(=O)C[N@H+](C)C(C)C)c1ccccc1 ZINC001699766263 1413171290 /nfs/dbraw/zinc/17/12/90/1413171290.db2.gz DBFYWTVLVKYTQT-RTBURBONSA-N 2 0 331.504 3.059 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699771254 1413177479 /nfs/dbraw/zinc/17/74/79/1413177479.db2.gz UNFMXVDRBPJTJO-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCC1)[NH+]1CCCCC1 ZINC001699798291 1413208345 /nfs/dbraw/zinc/20/83/45/1413208345.db2.gz FYHPPMKFEXWKQR-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001699838447 1413266975 /nfs/dbraw/zinc/26/69/75/1413266975.db2.gz UFNBAFFKMSQRCX-FPOVZHCZSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001699839153 1413267624 /nfs/dbraw/zinc/26/76/24/1413267624.db2.gz SFWOJEQWLXMXOG-HXUWFJFHSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001699853588 1413283427 /nfs/dbraw/zinc/28/34/27/1413283427.db2.gz MCQGKKRTPXTMFG-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCC(C)(C)C ZINC001732545464 1428720796 /nfs/dbraw/zinc/72/07/96/1428720796.db2.gz GYQYWGMXUIGTRN-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCCCC2)C3)CCC1 ZINC001699928478 1413368688 /nfs/dbraw/zinc/36/86/88/1413368688.db2.gz UECLYXAPEOHDPU-OTWHNJEPSA-N 2 0 347.547 3.020 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC2CCC2)C3)CCC1 ZINC001699928395 1413369043 /nfs/dbraw/zinc/36/90/43/1413369043.db2.gz QTMLVUFJBCOKLY-FHWLQOOXSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1=CCCCC1 ZINC001699967611 1413407230 /nfs/dbraw/zinc/40/72/30/1413407230.db2.gz APVGPXFZLSOUNF-AZUAARDMSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001699968612 1413408024 /nfs/dbraw/zinc/40/80/24/1413408024.db2.gz HANCQGRZGNKNBO-XLIONFOSSA-N 2 0 343.515 3.012 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001699978783 1413423250 /nfs/dbraw/zinc/42/32/50/1413423250.db2.gz GGAJCUDCYCCJGK-BZSNNMDCSA-N 2 0 339.568 3.275 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001699984217 1413430701 /nfs/dbraw/zinc/43/07/01/1413430701.db2.gz ABOFSBXCTVCKOS-UXHICEINSA-N 2 0 343.515 3.032 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C[C@H]2C1 ZINC001699990124 1413437124 /nfs/dbraw/zinc/43/71/24/1413437124.db2.gz STARSENKSQXCLM-HSALFYBXSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001700076262 1413490653 /nfs/dbraw/zinc/49/06/53/1413490653.db2.gz BDKTXHANBUHKQE-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001700094339 1413508398 /nfs/dbraw/zinc/50/83/98/1413508398.db2.gz SMMLEHJIODKHQJ-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001700094188 1413508721 /nfs/dbraw/zinc/50/87/21/1413508721.db2.gz GZDXVZVAHHMSLP-DLBZAZTESA-N 2 0 345.531 3.341 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCC[N@H+](CCC3CCCCC3)CC2)CCC1 ZINC001700179090 1413589538 /nfs/dbraw/zinc/58/95/38/1413589538.db2.gz MYXJGUKKDBMRBG-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@H]2CCCC[NH+]21 ZINC001700187047 1413609012 /nfs/dbraw/zinc/60/90/12/1413609012.db2.gz HOIRIVZMASXSPQ-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[N@H+](C)CCCN(C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001700187046 1413609217 /nfs/dbraw/zinc/60/92/17/1413609217.db2.gz HOIRIVZMASXSPQ-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001700193259 1413626617 /nfs/dbraw/zinc/62/66/17/1413626617.db2.gz UQVULUWMOVRLNP-ROUUACIJSA-N 2 0 349.544 3.045 10 0 EGAERP CC[C@H](C)CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2C1CC[NH+](CC(C)C)CC1 ZINC001700196231 1413637138 /nfs/dbraw/zinc/63/71/38/1413637138.db2.gz BHLRPNCXLVYZHX-YSIASYRMSA-N 2 0 349.563 3.218 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700216819 1413660341 /nfs/dbraw/zinc/66/03/41/1413660341.db2.gz IOFFRNWHDTZXLL-DVBCCOPCSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]CC(C)C)CC1)[NH+](CC)CC ZINC001700221209 1413667775 /nfs/dbraw/zinc/66/77/75/1413667775.db2.gz JILPWKNSSSGITK-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001700221249 1413667780 /nfs/dbraw/zinc/66/77/80/1413667780.db2.gz LCOFQHZFXGUFHP-QULHZPMSSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001700224040 1413673945 /nfs/dbraw/zinc/67/39/45/1413673945.db2.gz KYUHSKKUDPEOST-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1Cc2ccccc2C[C@@H]1CNC(=O)[C@@H](CC)[NH+](C)C ZINC001700226607 1413679794 /nfs/dbraw/zinc/67/97/94/1413679794.db2.gz JQVQCRVUBOWSEF-WOJBJXKFSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1cccc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001700281572 1413726995 /nfs/dbraw/zinc/72/69/95/1413726995.db2.gz CNNDGDBYGXLMDS-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001700283387 1413729860 /nfs/dbraw/zinc/72/98/60/1413729860.db2.gz GUUHCEAMBPXQAR-QZTJIDSGSA-N 2 0 335.536 3.020 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700289170 1413738388 /nfs/dbraw/zinc/73/83/88/1413738388.db2.gz AJFYHKUHGQVPAA-RURPWVQCSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317266 1413778037 /nfs/dbraw/zinc/77/80/37/1413778037.db2.gz FVUICBGXAOZBKD-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)CC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001700333404 1413813770 /nfs/dbraw/zinc/81/37/70/1413813770.db2.gz SXPCWCYBEWGWSB-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700361285 1413874486 /nfs/dbraw/zinc/87/44/86/1413874486.db2.gz BDHWENYIWLQLAS-GLCUZYPYSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700421669 1413972337 /nfs/dbraw/zinc/97/23/37/1413972337.db2.gz KBBWQHKCTKACGZ-DLBZAZTESA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700437344 1414005701 /nfs/dbraw/zinc/00/57/01/1414005701.db2.gz FIKLHWLJIOEZRG-MHJFOBGBSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCC1 ZINC001700499896 1414147166 /nfs/dbraw/zinc/14/71/66/1414147166.db2.gz MPHYIDCHCLQOQL-RBUKOAKNSA-N 2 0 337.552 3.122 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](CCN(C)C(=O)C12CCC[NH+]1CCC2)C(C)C ZINC001700501471 1414149563 /nfs/dbraw/zinc/14/95/63/1414149563.db2.gz CTLVPDRXMITEJQ-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001700508022 1414156093 /nfs/dbraw/zinc/15/60/93/1414156093.db2.gz XUERPTMOZKSIID-AZUAARDMSA-N 2 0 345.531 3.306 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700566731 1414235266 /nfs/dbraw/zinc/23/52/66/1414235266.db2.gz FIGUWRNYNQCRMV-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](CCC3CCCC3)C[C@@H]2C1 ZINC001700617877 1414285855 /nfs/dbraw/zinc/28/58/55/1414285855.db2.gz UZWVFWSUZZGHGS-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1F ZINC001700766471 1414441521 /nfs/dbraw/zinc/44/15/21/1414441521.db2.gz GDPCIYKGIAFLBB-LPHOPBHVSA-N 2 0 349.494 3.025 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001700848449 1414497059 /nfs/dbraw/zinc/49/70/59/1414497059.db2.gz VCUYQUWSPJZRIO-APWZRJJASA-N 2 0 331.504 3.131 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001700849434 1414497717 /nfs/dbraw/zinc/49/77/17/1414497717.db2.gz JDRQTQFLZXBEDF-PXNSSMCTSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](CC1CCCCC1)CC2 ZINC001700868613 1414521323 /nfs/dbraw/zinc/52/13/23/1414521323.db2.gz ROMKFEARLQNBGM-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC/C=C\c1ccccc1 ZINC001700880345 1414535879 /nfs/dbraw/zinc/53/58/79/1414535879.db2.gz GMZVGNMLNFSKLU-QJWLNXOLSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1(C)C ZINC001700941291 1414584206 /nfs/dbraw/zinc/58/42/06/1414584206.db2.gz FLKZADNRWYOKPL-JNVNVXKGSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H]([NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1)c1ccc(F)cc1 ZINC001701024675 1414685782 /nfs/dbraw/zinc/68/57/82/1414685782.db2.gz HGMSMBMPOAFJBE-MNNVXMFVSA-N 2 0 349.494 3.198 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001701061295 1414718082 /nfs/dbraw/zinc/71/80/82/1414718082.db2.gz HQRWFUUMHWIQHK-RBUKOAKNSA-N 2 0 349.563 3.293 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@@H](CC[NH+]2CC=C(C)C)C1 ZINC001732608137 1428865219 /nfs/dbraw/zinc/86/52/19/1428865219.db2.gz PPOGOSDATLFBNB-VQTJNVASSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c(C)c1 ZINC001732728792 1428931780 /nfs/dbraw/zinc/93/17/80/1428931780.db2.gz MVNYBZZDWLKCCR-GOSISDBHSA-N 2 0 347.547 3.266 10 0 EGAERP C[C@H](C[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001732967119 1429092471 /nfs/dbraw/zinc/09/24/71/1429092471.db2.gz ABDPMHIHQOXQSF-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001732982875 1429110413 /nfs/dbraw/zinc/11/04/13/1429110413.db2.gz DDSBLPMDCOIZCV-QUCCMNQESA-N 2 0 349.563 3.482 10 0 EGAERP CN(C[C@H]1CC[N@@H+]1CC1CCCCCC1)C(=O)CCCC[NH+](C)C ZINC001707054066 1417167792 /nfs/dbraw/zinc/16/77/92/1417167792.db2.gz PNLUQGLWCLBHHO-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001707057664 1417173250 /nfs/dbraw/zinc/17/32/50/1417173250.db2.gz ARHYHBJPGXWBGT-FGTMMUONSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001707062221 1417177755 /nfs/dbraw/zinc/17/77/55/1417177755.db2.gz LTWHBSYVNYPAFF-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2cc(C)cc(C)c2)[C@@H]1CC)[NH+](C)C ZINC001707195698 1417239620 /nfs/dbraw/zinc/23/96/20/1417239620.db2.gz NOZRTLNJBRGGOW-XUVXKRRUSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001707233287 1417254353 /nfs/dbraw/zinc/25/43/53/1417254353.db2.gz HZGQRSYJDIXRAU-FHWLQOOXSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001707239814 1417259906 /nfs/dbraw/zinc/25/99/06/1417259906.db2.gz DAYVKBLINRMXSD-RBUKOAKNSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H](c1ccc2ccccc2c1)[N@H+](C)CCCNC(=O)CC[NH+](C)C ZINC001707403223 1417316613 /nfs/dbraw/zinc/31/66/13/1417316613.db2.gz XPZLKORYWZTWNV-QGZVFWFLSA-N 2 0 341.499 3.291 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)C[NH+](C)CC(C)(C)C)c1 ZINC001707410314 1417321473 /nfs/dbraw/zinc/32/14/73/1417321473.db2.gz UISFKWOSJCIHMV-SFHVURJKSA-N 2 0 347.547 3.472 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001733047831 1429182287 /nfs/dbraw/zinc/18/22/87/1429182287.db2.gz GQEKEZGHEBFAPV-ADKAHSJRSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001712950268 1417509263 /nfs/dbraw/zinc/50/92/63/1417509263.db2.gz GSRIOQULJJGFTQ-IEBWSBKVSA-N 2 0 331.504 3.060 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CC2=CCCCC2)CC1 ZINC001713052346 1417604241 /nfs/dbraw/zinc/60/42/41/1417604241.db2.gz BWXRUQZVVDJCQY-IBGZPJMESA-N 2 0 347.547 3.284 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001713084143 1417630030 /nfs/dbraw/zinc/63/00/30/1417630030.db2.gz OJBJDAFJGYFKSM-ROUUACIJSA-N 2 0 343.515 3.039 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001713096443 1417646298 /nfs/dbraw/zinc/64/62/98/1417646298.db2.gz YMENPJVBFCEPFG-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1 ZINC001713113312 1417676111 /nfs/dbraw/zinc/67/61/11/1417676111.db2.gz YHUKEOWTGRECJN-WOJBJXKFSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001713175728 1417749107 /nfs/dbraw/zinc/74/91/07/1417749107.db2.gz MTSMQPGLQYYJIL-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001713231304 1417817539 /nfs/dbraw/zinc/81/75/39/1417817539.db2.gz ODIHWZLXHULVMN-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001713252194 1417843701 /nfs/dbraw/zinc/84/37/01/1417843701.db2.gz SJIVHZONLZZOQP-ZRAQOITDSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001713253952 1417849513 /nfs/dbraw/zinc/84/95/13/1417849513.db2.gz WNFGTANWUHEUDX-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001713275293 1417893223 /nfs/dbraw/zinc/89/32/23/1417893223.db2.gz GVTVQSFOLCZYDZ-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001713286920 1417913795 /nfs/dbraw/zinc/91/37/95/1417913795.db2.gz INCPXFBEQIFMTO-OYFNKTHYSA-N 2 0 347.547 3.092 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)C1 ZINC001713291460 1417919087 /nfs/dbraw/zinc/91/90/87/1417919087.db2.gz MLKGVIFMRKALCQ-XEVCZEQESA-N 2 0 349.563 3.316 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713363881 1417977516 /nfs/dbraw/zinc/97/75/16/1417977516.db2.gz DWKPIVDNOBGLEX-FQEVSTJZSA-N 2 0 347.547 3.191 10 0 EGAERP CC[C@@H](F)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713397266 1418015406 /nfs/dbraw/zinc/01/54/06/1418015406.db2.gz IOTJYDZQSNHUFR-RTBURBONSA-N 2 0 349.494 3.033 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417412 1418041163 /nfs/dbraw/zinc/04/11/63/1418041163.db2.gz QTDPIDIWNWLIAA-DNVCBOLYSA-N 2 0 343.531 3.120 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515593 1418250978 /nfs/dbraw/zinc/25/09/78/1418250978.db2.gz XTCKJVUBBONVLT-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001713517541 1418254645 /nfs/dbraw/zinc/25/46/45/1418254645.db2.gz MBVRTSAHEQGFGD-IRXDYDNUSA-N 2 0 349.494 3.199 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001713518596 1418257930 /nfs/dbraw/zinc/25/79/30/1418257930.db2.gz ZKRORGOGLQULCC-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001713532955 1418282981 /nfs/dbraw/zinc/28/29/81/1418282981.db2.gz CUCPYYJHVNUCFQ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001713543422 1418306638 /nfs/dbraw/zinc/30/66/38/1418306638.db2.gz LXLODFSQQVYMLM-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)=CC[N@@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CC1 ZINC001713565886 1418376169 /nfs/dbraw/zinc/37/61/69/1418376169.db2.gz FIUQKMARROAOQG-IBGZPJMESA-N 2 0 335.536 3.044 10 0 EGAERP CN(CCC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733130844 1429255313 /nfs/dbraw/zinc/25/53/13/1429255313.db2.gz KZMKOMVOOXZFKT-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001713714455 1418478895 /nfs/dbraw/zinc/47/88/95/1418478895.db2.gz DYTKOBLIBXMLDB-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001713727583 1418509047 /nfs/dbraw/zinc/50/90/47/1418509047.db2.gz DQGXALBBMGVCMU-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH+](CC3=CCCCC3)C2)CC[N@@H+]1C ZINC001713733998 1418525426 /nfs/dbraw/zinc/52/54/26/1418525426.db2.gz BRQDOHCDBZYUJH-IHPCNDPISA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713792259 1418609771 /nfs/dbraw/zinc/60/97/71/1418609771.db2.gz VVTOCOXBOGYQML-OJBOGMDESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001713794419 1418613779 /nfs/dbraw/zinc/61/37/79/1418613779.db2.gz SLJMFKKYDFLPCV-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001713891075 1418687792 /nfs/dbraw/zinc/68/77/92/1418687792.db2.gz DUUZCFHXSJCPJK-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713910154 1418706744 /nfs/dbraw/zinc/70/67/44/1418706744.db2.gz UHMVFMURNULYKQ-SMJNTDKHSA-N 2 0 347.547 3.282 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001714013908 1418793261 /nfs/dbraw/zinc/79/32/61/1418793261.db2.gz QFDDEODFAHKATD-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CCN(C(=O)[C@H](F)C[NH+](CC)CC)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714040577 1418829683 /nfs/dbraw/zinc/82/96/83/1418829683.db2.gz RJKZSNXJUUWPLX-IAGOWNOFSA-N 2 0 343.531 3.025 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCC(C)(C)C ZINC001714106310 1418905342 /nfs/dbraw/zinc/90/53/42/1418905342.db2.gz JFKAHZHARNPXGG-DLBZAZTESA-N 2 0 325.541 3.170 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001714109459 1418910880 /nfs/dbraw/zinc/91/08/80/1418910880.db2.gz XXTHDNJUZLEDOA-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)NC1CCC([NH2+][C@@H]2CCCc3ccccc32)CC1 ZINC001714194469 1419000212 /nfs/dbraw/zinc/00/02/12/1419000212.db2.gz LOIYGIAMNFVXHD-AFMYVXGZSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2cccc(F)c2)CC1 ZINC001714198837 1419003738 /nfs/dbraw/zinc/00/37/38/1419003738.db2.gz ZOOVSLOPODIUPQ-UHFFFAOYSA-N 2 0 349.494 3.075 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001714210795 1419010319 /nfs/dbraw/zinc/01/03/19/1419010319.db2.gz QLNOESMYXCMNDV-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001714302037 1419082187 /nfs/dbraw/zinc/08/21/87/1419082187.db2.gz NDIYLAOZJQFBKT-RTLRUIJZSA-N 2 0 335.536 3.234 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001714347109 1419117090 /nfs/dbraw/zinc/11/70/90/1419117090.db2.gz RZMRYUIENDMTNV-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714361598 1419122802 /nfs/dbraw/zinc/12/28/02/1419122802.db2.gz KYRJDJHTSXDSKN-ICSRJNTNSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001714363907 1419124435 /nfs/dbraw/zinc/12/44/35/1419124435.db2.gz JIIPAKKRKMDITD-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418377 1419155476 /nfs/dbraw/zinc/15/54/76/1419155476.db2.gz YYTYDOVHZIBEPY-MOPGFXCFSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)C[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCC1 ZINC001714495624 1419219665 /nfs/dbraw/zinc/21/96/65/1419219665.db2.gz JNPCUODVZIARNP-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714554714 1419282116 /nfs/dbraw/zinc/28/21/16/1419282116.db2.gz YHWQPVVOKWECRT-SFHVURJKSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC[N@H+](C)CC1CCC(C)(C)CC1 ZINC001714572084 1419305472 /nfs/dbraw/zinc/30/54/72/1419305472.db2.gz JHLMNGHGKJJTGZ-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714605501 1419363662 /nfs/dbraw/zinc/36/36/62/1419363662.db2.gz GGODEDZSBNFUJM-QGZVFWFLSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001714621705 1419388817 /nfs/dbraw/zinc/38/88/17/1419388817.db2.gz ILGXWAPQWACAHN-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCCCC1 ZINC001714624490 1419393397 /nfs/dbraw/zinc/39/33/97/1419393397.db2.gz WTZAAJSEHQGAOB-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCCC1 ZINC001714676196 1419468394 /nfs/dbraw/zinc/46/83/94/1419468394.db2.gz KWOJORPOUCMGPM-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795870 1419512438 /nfs/dbraw/zinc/51/24/38/1419512438.db2.gz BVMAGVRMQOINRY-VQIMIIECSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001714813036 1419524003 /nfs/dbraw/zinc/52/40/03/1419524003.db2.gz FPYRTYDWUGMKEV-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCCC1)[NH+]1CCCC1 ZINC001733219786 1429339601 /nfs/dbraw/zinc/33/96/01/1429339601.db2.gz RQQNDEILROUAAK-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001714841071 1419553371 /nfs/dbraw/zinc/55/33/71/1419553371.db2.gz ZAKPJVUPZLHNOZ-LJQANCHMSA-N 2 0 345.531 3.354 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714869333 1419598714 /nfs/dbraw/zinc/59/87/14/1419598714.db2.gz FBHPNNAHBIIQOC-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001714883902 1419622279 /nfs/dbraw/zinc/62/22/79/1419622279.db2.gz XTKBKBFAMMNBQV-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)cc1C ZINC001714946306 1419689590 /nfs/dbraw/zinc/68/95/90/1419689590.db2.gz YAUOLTMMTKXHDT-HXUWFJFHSA-N 2 0 345.531 3.020 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001714995960 1419728440 /nfs/dbraw/zinc/72/84/40/1419728440.db2.gz CLFSMVLPCHTHMZ-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCCC1 ZINC001714999702 1419731266 /nfs/dbraw/zinc/73/12/66/1419731266.db2.gz VXGHHGSCVXDLHQ-CTNGQTDRSA-N 2 0 349.563 3.317 10 0 EGAERP CCc1ccccc1C[N@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001715042792 1419782070 /nfs/dbraw/zinc/78/20/70/1419782070.db2.gz GZYADAVIWMVIHM-FQEVSTJZSA-N 2 0 345.531 3.012 10 0 EGAERP CCc1ccccc1C[N@H+]1CC[C@@H](N(CC)C(=O)C[NH+](C)C(C)C)C1 ZINC001715042793 1419782255 /nfs/dbraw/zinc/78/22/55/1419782255.db2.gz GZYADAVIWMVIHM-HXUWFJFHSA-N 2 0 345.531 3.012 10 0 EGAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001715042705 1419782356 /nfs/dbraw/zinc/78/23/56/1419782356.db2.gz FRCMTTDVOCQCNR-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071074 1419806128 /nfs/dbraw/zinc/80/61/28/1419806128.db2.gz BOZIBQVJJIVNAW-APWZRJJASA-N 2 0 349.494 3.075 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]CC2(NC(=O)C[NH+]3CCCC3)CCCC2)C1 ZINC001715102918 1419843979 /nfs/dbraw/zinc/84/39/79/1419843979.db2.gz LJZXYFPKKIVDRO-OALUTQOASA-N 2 0 349.563 3.317 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC(CC[NH2+]CCCC3CCC3)CC2)CC1 ZINC001715173919 1419909874 /nfs/dbraw/zinc/90/98/74/1419909874.db2.gz CEGCQRYESQUIIX-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001715192146 1419923843 /nfs/dbraw/zinc/92/38/43/1419923843.db2.gz RDTVLDNLQONQEX-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001715192178 1419924108 /nfs/dbraw/zinc/92/41/08/1419924108.db2.gz XFJFCQPJSPAWDL-UFYCRDLUSA-N 2 0 345.531 3.495 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CCCC(C)(C)C)CC1 ZINC001715204198 1419937933 /nfs/dbraw/zinc/93/79/33/1419937933.db2.gz NODCVKYRCPPSAK-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+]1CCCCC1)CC2 ZINC001715218891 1419952482 /nfs/dbraw/zinc/95/24/82/1419952482.db2.gz YTZRWNVJHAZYQF-UHFFFAOYSA-N 2 0 349.563 3.367 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001715236688 1419967529 /nfs/dbraw/zinc/96/75/29/1419967529.db2.gz BMWZZFUMFACCRM-FXAWDEMLSA-N 2 0 345.531 3.136 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CCCCCC1 ZINC001715238180 1419968576 /nfs/dbraw/zinc/96/85/76/1419968576.db2.gz JMZXUNDTWATTSX-MJGOQNOKSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)Cn2ccnc2C(C)C)CCCC1 ZINC001715307596 1420016203 /nfs/dbraw/zinc/01/62/03/1420016203.db2.gz OPJJSAQIWFTNRX-MRXNPFEDSA-N 2 0 334.508 3.071 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001715375654 1420071981 /nfs/dbraw/zinc/07/19/81/1420071981.db2.gz FBLFUNRCWDUUFH-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001715382563 1420079508 /nfs/dbraw/zinc/07/95/08/1420079508.db2.gz LOMULHFMKHWNNZ-UXHICEINSA-N 2 0 349.563 3.480 10 0 EGAERP CCC[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001715391297 1420088442 /nfs/dbraw/zinc/08/84/42/1420088442.db2.gz MPKMIIVOLARKTO-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+]1CCC2 ZINC001715391151 1420088594 /nfs/dbraw/zinc/08/85/94/1420088594.db2.gz ZLDQWIBQYFDXKI-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001715438235 1420123924 /nfs/dbraw/zinc/12/39/24/1420123924.db2.gz OEVSULQXNDBSLR-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001715447968 1420131750 /nfs/dbraw/zinc/13/17/50/1420131750.db2.gz TZXWMFFENRGUAI-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCC[C@@H]1CC[NH2+]CC1CCC1 ZINC001715459092 1420139587 /nfs/dbraw/zinc/13/95/87/1420139587.db2.gz RXQNPEGFGGVQEY-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CN(CC[N@H+](C)CCC1=CCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715522164 1420208957 /nfs/dbraw/zinc/20/89/57/1420208957.db2.gz HZLXUZJXXHSSMZ-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001715547761 1420244421 /nfs/dbraw/zinc/24/44/21/1420244421.db2.gz AGAWMMXQYCHXFT-MSOLQXFVSA-N 2 0 335.536 3.070 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001715593011 1420263291 /nfs/dbraw/zinc/26/32/91/1420263291.db2.gz DTRINRJJKCITQZ-KSSFIOAISA-N 2 0 330.476 3.033 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001715692360 1420297415 /nfs/dbraw/zinc/29/74/15/1420297415.db2.gz OWVUFZVUPBQSIR-LJQANCHMSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001715811058 1420352422 /nfs/dbraw/zinc/35/24/22/1420352422.db2.gz BVJGTTPOQSGOQO-LTPVEEIWSA-N 2 0 343.515 3.273 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C1([NH+](C)C)CCC1)c1ccccc1Cl ZINC001715824021 1420358014 /nfs/dbraw/zinc/35/80/14/1420358014.db2.gz GVBVHLZMJFPLDT-IDTUSYRASA-N 2 0 349.906 3.147 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715954566 1420420582 /nfs/dbraw/zinc/42/05/82/1420420582.db2.gz UVABEXLPHSPXAS-RTBURBONSA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001716024458 1420480728 /nfs/dbraw/zinc/48/07/28/1420480728.db2.gz NAYQRSONOOWSTA-ACBHZAAOSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H](C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716027048 1420484152 /nfs/dbraw/zinc/48/41/52/1420484152.db2.gz LFVBRZIWILYBNK-HPFMTEOYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716064391 1420523426 /nfs/dbraw/zinc/52/34/26/1420523426.db2.gz ZJUWJHQRGYGLOF-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C[N@H+](C)C1CCC1 ZINC001716145469 1420541179 /nfs/dbraw/zinc/54/11/79/1420541179.db2.gz HVUUVIPDQXMYMR-MRXNPFEDSA-N 2 0 337.552 3.172 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001716239826 1420577513 /nfs/dbraw/zinc/57/75/13/1420577513.db2.gz QYEXJHOKKAHSEH-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001733269042 1429429859 /nfs/dbraw/zinc/42/98/59/1429429859.db2.gz LFRYIMHNJUXUSY-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001716549887 1420757951 /nfs/dbraw/zinc/75/79/51/1420757951.db2.gz MAEVCXZYBGYCJW-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N(C)CCC[NH2+]Cc1ccc2ccccc2c1)[NH+](C)C ZINC001716579781 1420766903 /nfs/dbraw/zinc/76/69/03/1420766903.db2.gz ZKBCGINNFWNHGV-HXUWFJFHSA-N 2 0 341.499 3.118 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CC2)CC[N@@H+]1C ZINC001716683112 1420837529 /nfs/dbraw/zinc/83/75/29/1420837529.db2.gz ZJEZOHRDOWIXTP-ZWKOTPCHSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1)c1ccccc1 ZINC001716691597 1420844221 /nfs/dbraw/zinc/84/42/21/1420844221.db2.gz ONYBPTGOLWBSMN-WDSOQIARSA-N 2 0 343.515 3.106 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001716710920 1420863999 /nfs/dbraw/zinc/86/39/99/1420863999.db2.gz NZLBELRAGHUANX-RPCZBFAQSA-N 2 0 347.547 3.138 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC3CCCCCC3)C2)C1 ZINC001716734014 1420892411 /nfs/dbraw/zinc/89/24/11/1420892411.db2.gz NXJDZJDURNFZAA-NRFANRHFSA-N 2 0 349.563 3.221 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001716753408 1420904424 /nfs/dbraw/zinc/90/44/24/1420904424.db2.gz DURYUZKUQADFLA-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1cccc(F)c1 ZINC001716820843 1420947045 /nfs/dbraw/zinc/94/70/45/1420947045.db2.gz JPAKZQKPXBHVNP-KXBFYZLASA-N 2 0 349.494 3.103 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C[NH2+]CC(C)C)C2CCCC2)C1 ZINC001716821667 1420947774 /nfs/dbraw/zinc/94/77/74/1420947774.db2.gz VEQGZSQUDTYSDA-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C2CCCC2)c1 ZINC001716821754 1420948171 /nfs/dbraw/zinc/94/81/71/1420948171.db2.gz WRKIUADPUWCFCV-XLIONFOSSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001716830777 1420958054 /nfs/dbraw/zinc/95/80/54/1420958054.db2.gz XAODZFCHPSWUCC-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001716830788 1420958142 /nfs/dbraw/zinc/95/81/42/1420958142.db2.gz XHFHPQXMMJSJHR-HXUWFJFHSA-N 2 0 337.552 3.221 10 0 EGAERP O=C(NCC[N@H+](CC1CC1)C1CCCCCC1)[C@@]12CC[NH+](C1)CCC2 ZINC001733278093 1429445339 /nfs/dbraw/zinc/44/53/39/1429445339.db2.gz CLUYGSGKBXPVKF-NRFANRHFSA-N 2 0 347.547 3.023 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)[C@H]1CCCC[N@H+]1CC)[NH2+]C(C)C ZINC001716955965 1421050837 /nfs/dbraw/zinc/05/08/37/1421050837.db2.gz UFNIESNKRZPRHB-WOJBJXKFSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001716964947 1421054614 /nfs/dbraw/zinc/05/46/14/1421054614.db2.gz GUCUERSMTWMDLT-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004695 1421073414 /nfs/dbraw/zinc/07/34/14/1421073414.db2.gz XBIZYOACKCNDGZ-ZULIPRJHSA-N 2 0 349.563 3.172 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001717213009 1421188285 /nfs/dbraw/zinc/18/82/85/1421188285.db2.gz VXISAKZEVICYOM-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001717217562 1421195691 /nfs/dbraw/zinc/19/56/91/1421195691.db2.gz SNCNHEUMBQIGDZ-UXHICEINSA-N 2 0 349.563 3.366 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001717241080 1421209451 /nfs/dbraw/zinc/20/94/51/1421209451.db2.gz WESCNNRQJNRRFV-SFHVURJKSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001733288187 1429464838 /nfs/dbraw/zinc/46/48/38/1429464838.db2.gz UNAKEVBRCCFXDI-FPOVZHCZSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)cc2C1 ZINC001717270614 1421228122 /nfs/dbraw/zinc/22/81/22/1421228122.db2.gz FSTXVTZWIWESHA-IRXDYDNUSA-N 2 0 343.515 3.147 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001717297797 1421241017 /nfs/dbraw/zinc/24/10/17/1421241017.db2.gz IVEPCFDJHDABGK-QWNKOJSDSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717336980 1421274015 /nfs/dbraw/zinc/27/40/15/1421274015.db2.gz IKLSOWOKNURFRI-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@H+]1CCC ZINC001717367529 1421303464 /nfs/dbraw/zinc/30/34/64/1421303464.db2.gz MFPDWVJHTZPLPZ-HMTUNPETSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001717368521 1421305903 /nfs/dbraw/zinc/30/59/03/1421305903.db2.gz CRPCLABETUNSCP-MAUKXSAKSA-N 2 0 342.487 3.225 10 0 EGAERP C[NH+](C)C1(C(=O)NC2CC(C[NH2+]CCC3CCCCCC3)C2)CCC1 ZINC001717384619 1421325932 /nfs/dbraw/zinc/32/59/32/1421325932.db2.gz JOOPSYFUINGHSF-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001733293723 1429474734 /nfs/dbraw/zinc/47/47/34/1429474734.db2.gz UYIZFFKSYSCAPI-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H](C)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001717428575 1421357709 /nfs/dbraw/zinc/35/77/09/1421357709.db2.gz ILEJZNOLSGROFU-CVEARBPZSA-N 2 0 333.520 3.281 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001717474838 1421408652 /nfs/dbraw/zinc/40/86/52/1421408652.db2.gz UWVLMALGQUTFRQ-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[NH2+][C@H](CCN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001717516110 1421453180 /nfs/dbraw/zinc/45/31/80/1421453180.db2.gz ATUVUVSLRPYDNH-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CCCCC1 ZINC001717523096 1421459043 /nfs/dbraw/zinc/45/90/43/1421459043.db2.gz DUVAWXVNZCIJRX-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717530009 1421466594 /nfs/dbraw/zinc/46/65/94/1421466594.db2.gz GIBUIIYQUANXCL-BHIYHBOVSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001717552499 1421489894 /nfs/dbraw/zinc/48/98/94/1421489894.db2.gz JMNKPAPIWVSEQA-HZPDHXFCSA-N 2 0 337.552 3.122 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001717650906 1421550704 /nfs/dbraw/zinc/55/07/04/1421550704.db2.gz IYZFRTWIEWSRHZ-XSLAGTTESA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC2CCCC2)CN1C(=O)CC[NH+]1CCCCC1 ZINC001717830611 1421643033 /nfs/dbraw/zinc/64/30/33/1421643033.db2.gz VCAQYQYSDDFXGR-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001717856637 1421668910 /nfs/dbraw/zinc/66/89/10/1421668910.db2.gz VZXYKLWIJBPJLC-MJGOQNOKSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccc(F)cc1 ZINC001717861478 1421674570 /nfs/dbraw/zinc/67/45/70/1421674570.db2.gz XCUOIZUMXYWFLH-VQIMIIECSA-N 2 0 349.494 3.027 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)C2CC[NH+](C(C)C)CC2)CC1(C)C ZINC001717903651 1421699854 /nfs/dbraw/zinc/69/98/54/1421699854.db2.gz WQZGECAPPUGCHO-IHHMQQGQSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001717950473 1421719359 /nfs/dbraw/zinc/71/93/59/1421719359.db2.gz UTWAZBDHLOPNIU-RTBURBONSA-N 2 0 335.536 3.138 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H](C[NH2+]CCC2=CCCCC2)C(C)(C)C)CCC1 ZINC001717960056 1421731714 /nfs/dbraw/zinc/73/17/14/1421731714.db2.gz KUXKPFZXXWIQCY-GOSISDBHSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001717983567 1421755893 /nfs/dbraw/zinc/75/58/93/1421755893.db2.gz GPUMCTMCSGHDNK-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001717995265 1421763339 /nfs/dbraw/zinc/76/33/39/1421763339.db2.gz KSDMRBKYJFFHDR-LYBXBRPPSA-N 2 0 349.563 3.409 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1(C2CC[NH+](CCC3CC3)CC2)CC1 ZINC001718004467 1421771113 /nfs/dbraw/zinc/77/11/13/1421771113.db2.gz SLTLSQRDQRZKJD-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC2CC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001733334939 1429519883 /nfs/dbraw/zinc/51/98/83/1429519883.db2.gz ZDXFDZPWNMUIQU-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[C@@H](C)C[NH+]1CCC(C)(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001733359676 1429542913 /nfs/dbraw/zinc/54/29/13/1429542913.db2.gz KALWFUUKVYYELH-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001733442732 1429651027 /nfs/dbraw/zinc/65/10/27/1429651027.db2.gz YVIXGIJFKDYBGS-HXUWFJFHSA-N 2 0 337.552 3.127 10 0 EGAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001723021657 1424288742 /nfs/dbraw/zinc/28/87/42/1424288742.db2.gz CYMWUJCTUBRSAH-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001723044530 1424292680 /nfs/dbraw/zinc/29/26/80/1424292680.db2.gz ZEESOKWCQKTPCM-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001723310314 1424343914 /nfs/dbraw/zinc/34/39/14/1424343914.db2.gz CDNFUPGBLSBKIA-QZTJIDSGSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2)C1 ZINC001723610016 1424492741 /nfs/dbraw/zinc/49/27/41/1424492741.db2.gz SYFUPQWLXIADOR-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001723864542 1424592349 /nfs/dbraw/zinc/59/23/49/1424592349.db2.gz WOKFUHFFOWDEJV-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001723929857 1424607079 /nfs/dbraw/zinc/60/70/79/1424607079.db2.gz MAAPSIKVCFTDDM-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001724025800 1424633472 /nfs/dbraw/zinc/63/34/72/1424633472.db2.gz JLDWOZIDDCABOW-IRXDYDNUSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H]([NH2+]CC1CC(C)(C)C1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001733541113 1429747247 /nfs/dbraw/zinc/74/72/47/1429747247.db2.gz WZYXWXKHMAQLOR-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C2CCCC2)C1 ZINC001724109150 1424669253 /nfs/dbraw/zinc/66/92/53/1424669253.db2.gz JYVYGYUAZWJMSL-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001724122432 1424674211 /nfs/dbraw/zinc/67/42/11/1424674211.db2.gz LGISSPNLGCGDJC-UINFQJAVSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)[NH+](CC)CC ZINC001724125449 1424676388 /nfs/dbraw/zinc/67/63/88/1424676388.db2.gz GMJSYSAWKLBWJU-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@]2(C)CC[N@H+](CCC3=CCCCC3)C2)CC1 ZINC001724174387 1424709499 /nfs/dbraw/zinc/70/94/99/1424709499.db2.gz HURMNQRCKUCFLG-OAQYLSRUSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1(C)CC[NH+](C[C@@H](C)CC)CC1 ZINC001724294707 1424779635 /nfs/dbraw/zinc/77/96/35/1424779635.db2.gz WBUHYQAZUYHIHV-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1(C)CC[NH+](C[C@@H](C)CC)CC1 ZINC001724294706 1424779732 /nfs/dbraw/zinc/77/97/32/1424779732.db2.gz WBUHYQAZUYHIHV-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001724301828 1424785564 /nfs/dbraw/zinc/78/55/64/1424785564.db2.gz GILDYOXDEKNRAY-RTBURBONSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001724340769 1424834626 /nfs/dbraw/zinc/83/46/26/1424834626.db2.gz NUSNLMRUOIPZKO-ICSRJNTNSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001724531711 1424896707 /nfs/dbraw/zinc/89/67/07/1424896707.db2.gz LFQQFELZYGHGQT-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CCC3CCCCC3)C[C@H]21 ZINC001724658390 1425029990 /nfs/dbraw/zinc/02/99/90/1425029990.db2.gz LTZDLTRIFOJFOU-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733570598 1429773449 /nfs/dbraw/zinc/77/34/49/1429773449.db2.gz CVGQMMOGGQUHCP-UYAOXDASSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001733571090 1429774192 /nfs/dbraw/zinc/77/41/92/1429774192.db2.gz DAGZSXCWACGHDI-RTBURBONSA-N 2 0 345.531 3.134 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001724751645 1425121974 /nfs/dbraw/zinc/12/19/74/1425121974.db2.gz SXJLYFSHBARXHX-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001724843504 1425193420 /nfs/dbraw/zinc/19/34/20/1425193420.db2.gz KFMPIWWADQWIKF-QUCCMNQESA-N 2 0 345.531 3.450 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001724853994 1425221883 /nfs/dbraw/zinc/22/18/83/1425221883.db2.gz YCYUGYVNWBTTCI-PKOBYXMFSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1 ZINC001724891145 1425278213 /nfs/dbraw/zinc/27/82/13/1425278213.db2.gz MATRKQOYZFWRCD-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001725000839 1425409701 /nfs/dbraw/zinc/40/97/01/1425409701.db2.gz HDHUDYMDJMEXAI-ICSRJNTNSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001725004005 1425416405 /nfs/dbraw/zinc/41/64/05/1425416405.db2.gz UKLWOCZXRTWXBS-AZUAARDMSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1c2ccccc2CC[NH+]1CCC(C)C ZINC001725013305 1425431412 /nfs/dbraw/zinc/43/14/12/1425431412.db2.gz NPQVYXUVCFCTSI-FQEVSTJZSA-N 2 0 345.531 3.090 10 0 EGAERP CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001725026872 1425446988 /nfs/dbraw/zinc/44/69/88/1425446988.db2.gz YLSXRTJPNGPYPT-ROUKRRSUSA-N 2 0 349.563 3.245 10 0 EGAERP CC/C=C\CC[N@H+](CC)CC1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001725026871 1425447475 /nfs/dbraw/zinc/44/74/75/1425447475.db2.gz YLSXRTJPNGPYPT-PXDRNWIDSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001725041849 1425468598 /nfs/dbraw/zinc/46/85/98/1425468598.db2.gz MVNZNHNTQFSDGZ-RTBURBONSA-N 2 0 337.552 3.362 10 0 EGAERP CC/C=C\CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001725049762 1425481610 /nfs/dbraw/zinc/48/16/10/1425481610.db2.gz UDVXQSSHLGSXAT-XOUUWWQPSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H](NC(=O)CCC[NH+](C)C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001725111591 1425568204 /nfs/dbraw/zinc/56/82/04/1425568204.db2.gz KGXYAEGMXVRPLL-HOTGVXAUSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1CC(C)(C)C1 ZINC001725163147 1425663509 /nfs/dbraw/zinc/66/35/09/1425663509.db2.gz BMFZMWNNGVVQID-APWZRJJASA-N 2 0 349.563 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[C@H]([NH2+]C/C=C/Cl)C(C)C ZINC001725212990 1425775220 /nfs/dbraw/zinc/77/52/20/1425775220.db2.gz KNTHDWOLXDKPRL-VESHTZQJSA-N 2 0 343.943 3.076 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001725263272 1425895111 /nfs/dbraw/zinc/89/51/11/1425895111.db2.gz HZZIUZMQYZVICM-APWZRJJASA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1C[N@H+](CCCC2CCCC2)CC1(C)C ZINC001725288905 1425929892 /nfs/dbraw/zinc/92/98/92/1425929892.db2.gz KBMDVUIJHMLENE-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725300458 1425948892 /nfs/dbraw/zinc/94/88/92/1425948892.db2.gz UEBXCJZPICUIGA-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CC3CCCC3)C[C@@H]2C1 ZINC001725335412 1425980384 /nfs/dbraw/zinc/98/03/84/1425980384.db2.gz PZTSAUMEKFLLBD-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001725360708 1426010663 /nfs/dbraw/zinc/01/06/63/1426010663.db2.gz YYLHUQWJIXFHIH-CIYDVTBMSA-N 2 0 347.547 3.234 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001725419538 1426065447 /nfs/dbraw/zinc/06/54/47/1426065447.db2.gz DXLAYKRXHATWCM-KRWDZBQOSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001725420505 1426068620 /nfs/dbraw/zinc/06/86/20/1426068620.db2.gz VVDFTDHDFWOLOJ-VQIMIIECSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C1CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001725423119 1426076599 /nfs/dbraw/zinc/07/65/99/1426076599.db2.gz RLBGXAQCWJTMSW-OAHLLOKOSA-N 2 0 342.487 3.225 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CCC1CCCCCC1)C1CC1 ZINC001725457342 1426123348 /nfs/dbraw/zinc/12/33/48/1426123348.db2.gz WJJLWEAPRLRNBC-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001725625391 1426292187 /nfs/dbraw/zinc/29/21/87/1426292187.db2.gz COEUINOJJGTWJU-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C(C)(C)C ZINC001725753072 1426431652 /nfs/dbraw/zinc/43/16/52/1426431652.db2.gz BZNKPUGEAJWPJJ-WMZOPIPTSA-N 2 0 339.568 3.273 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CC([NH2+]CCCC2CCC2)C1 ZINC001725781019 1426465843 /nfs/dbraw/zinc/46/58/43/1426465843.db2.gz JKAQRELTGZTGQG-SOAGJPPSSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)CC[N@@H+]1C ZINC001731391340 1427343956 /nfs/dbraw/zinc/34/39/56/1427343956.db2.gz GCTLIVZOALORFS-LZQZEXGQSA-N 2 0 349.563 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001731478403 1427455147 /nfs/dbraw/zinc/45/51/47/1427455147.db2.gz BMDURRDFRDHDGX-CEXWTWQISA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001731505256 1427489733 /nfs/dbraw/zinc/48/97/33/1427489733.db2.gz TUAWOQCGWZSIJS-YSKLNCTFSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001731519198 1427507432 /nfs/dbraw/zinc/50/74/32/1427507432.db2.gz PRRFFWJZQHUHDR-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001731530888 1427521772 /nfs/dbraw/zinc/52/17/72/1427521772.db2.gz NBBDSIHKOUVLDA-IBGZPJMESA-N 2 0 345.531 3.236 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001731544128 1427559703 /nfs/dbraw/zinc/55/97/03/1427559703.db2.gz QMBNYSFPTVYMEB-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCC1)[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001731561961 1427599213 /nfs/dbraw/zinc/59/92/13/1427599213.db2.gz RHBUWHJXFQZIBI-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594530 1427636374 /nfs/dbraw/zinc/63/63/74/1427636374.db2.gz IDLNXRMEVNJPCH-PXNSSMCTSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CCCCCC1 ZINC001731599213 1427642584 /nfs/dbraw/zinc/64/25/84/1427642584.db2.gz CCMUVZDAYCLRSN-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001731638666 1427695358 /nfs/dbraw/zinc/69/53/58/1427695358.db2.gz ATVDSLLEMHJJHR-SJLPKXTDSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)[NH2+][C@H](C)c1cccc2ccccc21 ZINC001731641271 1427700493 /nfs/dbraw/zinc/70/04/93/1427700493.db2.gz UEFGOEIYOPKGNZ-IAGOWNOFSA-N 2 0 341.499 3.335 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731713400 1427774749 /nfs/dbraw/zinc/77/47/49/1427774749.db2.gz MTJRMGISCSJHMO-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001731727332 1427801408 /nfs/dbraw/zinc/80/14/08/1427801408.db2.gz IAIKYEBOQMLTRX-MJGOQNOKSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC(C)(C)C1 ZINC001731750226 1427845185 /nfs/dbraw/zinc/84/51/85/1427845185.db2.gz SVILZEIWWYMREH-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001731847746 1428073443 /nfs/dbraw/zinc/07/34/43/1428073443.db2.gz GTMFGEGXPFMITG-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC[N@H+](CCCC(C)(C)C)C1CC1 ZINC001731885702 1428160942 /nfs/dbraw/zinc/16/09/42/1428160942.db2.gz VWERYLCJALAWBT-IAGOWNOFSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](C(=O)N(C)CC[NH2+]C/C=C/c1ccccc1)[NH+]1CCCCCC1 ZINC001731962056 1428185399 /nfs/dbraw/zinc/18/53/99/1428185399.db2.gz LWTMECNICMNQNN-YFPIXMDGSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001733576803 1429780113 /nfs/dbraw/zinc/78/01/13/1429780113.db2.gz BCBGTFVXFCYUNQ-SLFFLAALSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[N@@H+](C)CCC ZINC001733600384 1429804064 /nfs/dbraw/zinc/80/40/64/1429804064.db2.gz NIEAYCMPGLEVDL-LXORQPIJSA-N 2 0 335.536 3.140 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733651210 1429844090 /nfs/dbraw/zinc/84/40/90/1429844090.db2.gz DBIHOZOORQPZJH-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1 ZINC001733719612 1429939941 /nfs/dbraw/zinc/93/99/41/1429939941.db2.gz UYUHYHAPMQLPOS-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001733863155 1437692139 /nfs/dbraw/zinc/69/21/39/1437692139.db2.gz FZEAPWMHPQDZMQ-GOSISDBHSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001733863885 1437692402 /nfs/dbraw/zinc/69/24/02/1437692402.db2.gz GCJNTNQIOQTUII-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC(C)([NH2+]CCC(C)C)CC2)C1 ZINC001733866046 1437693987 /nfs/dbraw/zinc/69/39/87/1437693987.db2.gz MEVQAPOPPXQOSB-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC(C)([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001733868321 1437695307 /nfs/dbraw/zinc/69/53/07/1437695307.db2.gz ZACQFARSYHWKCK-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCc2ccccc2[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001733907941 1437726371 /nfs/dbraw/zinc/72/63/71/1437726371.db2.gz YCNXGRBBGWZNSM-HXUWFJFHSA-N 2 0 345.531 3.090 10 0 EGAERP CC[N@@H+](Cc1ccccc1)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001733921011 1437735372 /nfs/dbraw/zinc/73/53/72/1437735372.db2.gz SVWZHIAVMAFUHZ-UHFFFAOYSA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001733928390 1437741870 /nfs/dbraw/zinc/74/18/70/1437741870.db2.gz ISLLPFUFCVHDLO-KRWDZBQOSA-N 2 0 349.544 3.312 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009086 1437800625 /nfs/dbraw/zinc/80/06/25/1437800625.db2.gz QMQRVPFAPCZAEN-HOTGVXAUSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/Cl ZINC001734079246 1437866762 /nfs/dbraw/zinc/86/67/62/1437866762.db2.gz MPAQYWYKANVLQH-DZZUKKPASA-N 2 0 343.943 3.076 10 0 EGAERP CC(C)C[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCCC1 ZINC001734094690 1437878902 /nfs/dbraw/zinc/87/89/02/1437878902.db2.gz FIQIVFVQQGLYQB-GOSISDBHSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCCC[NH+]1CCC1CC1 ZINC001734103720 1437889002 /nfs/dbraw/zinc/88/90/02/1437889002.db2.gz LTXUNYZNJJAQEG-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734106623 1437892676 /nfs/dbraw/zinc/89/26/76/1437892676.db2.gz RQQLCZIQMDAJFD-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734106807 1437893506 /nfs/dbraw/zinc/89/35/06/1437893506.db2.gz TVDMTWRVRLVEOY-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001734143412 1437911541 /nfs/dbraw/zinc/91/15/41/1437911541.db2.gz STBVBBHBQHCMQZ-VUOWKATKSA-N 2 0 335.536 3.042 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001734143411 1437911568 /nfs/dbraw/zinc/91/15/68/1437911568.db2.gz STBVBBHBQHCMQZ-OPDSQHBBSA-N 2 0 335.536 3.042 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001734150399 1437918097 /nfs/dbraw/zinc/91/80/97/1437918097.db2.gz QKRNSXWLFYMEAV-PKOBYXMFSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@H]2C1 ZINC001734192275 1437933972 /nfs/dbraw/zinc/93/39/72/1437933972.db2.gz CHSBBJCIFWLKRX-UFYCRDLUSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1ccccc1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001734256512 1437971780 /nfs/dbraw/zinc/97/17/80/1437971780.db2.gz KXZUSOFFOLTKCH-RTBURBONSA-N 2 0 345.531 3.354 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C23CC[NH+](CC2)C3)c1 ZINC001734260964 1437977933 /nfs/dbraw/zinc/97/79/33/1437977933.db2.gz MCQAGJKGFQCIBN-QZTJIDSGSA-N 2 0 343.515 3.026 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001734285206 1438013136 /nfs/dbraw/zinc/01/31/36/1438013136.db2.gz QQVZTVXJMRFDTF-LJQANCHMSA-N 2 0 343.515 3.251 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001734402324 1438083460 /nfs/dbraw/zinc/08/34/60/1438083460.db2.gz IGMKWMALEIZKQA-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001734422789 1438090180 /nfs/dbraw/zinc/09/01/80/1438090180.db2.gz YEIMHCFYQOKFIR-ZWKOTPCHSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)[C@H]1C ZINC001734456717 1438114767 /nfs/dbraw/zinc/11/47/67/1438114767.db2.gz IAWQVQWIQLMXKN-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001734477774 1438126131 /nfs/dbraw/zinc/12/61/31/1438126131.db2.gz CBEAMDIOCNURHE-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)CC[N@H+](C)C1CCCCC1)C(C)(C)C ZINC001734568158 1438163046 /nfs/dbraw/zinc/16/30/46/1438163046.db2.gz QBTAXWUJIPSKOT-KRWDZBQOSA-N 2 0 325.541 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)CC1 ZINC001734568611 1438163558 /nfs/dbraw/zinc/16/35/58/1438163558.db2.gz LJMRWAYDSOMHNV-KRWDZBQOSA-N 2 0 337.552 3.029 10 0 EGAERP CC1CC(C[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C)C1 ZINC001734570288 1438164787 /nfs/dbraw/zinc/16/47/87/1438164787.db2.gz YPDDMQFCZSZGLF-OFLPRAFFSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@@H+]1CCCc1ccc2c(c1)CCO2 ZINC000193255945 240080906 /nfs/dbraw/zinc/08/09/06/240080906.db2.gz RABHGIFARLOELT-IBGZPJMESA-N 2 0 325.456 3.224 10 0 EGAERP C[C@@H]1C[C@@H](N(C)C(=O)c2ccc(C[NH+]3CCCCC3)cc2)CC[N@@H+]1C ZINC000266000029 248014237 /nfs/dbraw/zinc/01/42/37/248014237.db2.gz OYEQXHXHHGWHHU-XLIONFOSSA-N 2 0 343.515 3.227 10 0 EGAERP C[C@@H](CC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000377714111 169066907 /nfs/dbraw/zinc/06/69/07/169066907.db2.gz FAGZDKFYSZZYCB-WTBLGDFPSA-N 2 0 341.543 3.423 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000091729230 218054397 /nfs/dbraw/zinc/05/43/97/218054397.db2.gz WBVDNGCSGXOHBO-OAHLLOKOSA-N 2 0 329.492 3.119 10 0 EGAERP COCC[C@@H](Cc1cccc(F)c1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268811166 252263247 /nfs/dbraw/zinc/26/32/47/252263247.db2.gz AZNAUHMMDYTCHK-IBGZPJMESA-N 2 0 334.479 3.380 10 0 EGAERP Cn1cncc1[C@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622028 258035273 /nfs/dbraw/zinc/03/52/73/258035273.db2.gz AWZJZJKLRFYXFH-FXAWDEMLSA-N 2 0 346.519 3.027 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)co2)cc1 ZINC000246547593 141015099 /nfs/dbraw/zinc/01/50/99/141015099.db2.gz WKAFACBYOVWXRF-WMZOPIPTSA-N 2 0 329.419 3.240 10 0 EGAERP Cc1nn(-c2ccccc2)c(C)c1C[NH2+][C@@H]1CC[N@@H+](C)[C@@H]2CCC[C@H]21 ZINC000353438716 141295243 /nfs/dbraw/zinc/29/52/43/141295243.db2.gz VEQSYVGVGSCSJY-CEWLAPEOSA-N 2 0 338.499 3.452 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]2CCC[C@H]21 ZINC000353463420 141302363 /nfs/dbraw/zinc/30/23/63/141302363.db2.gz RMCNZSDPOLYGHS-IVAOSVALSA-N 2 0 327.516 3.113 10 0 EGAERP CN1CC[NH+]([C@@H]2CCCCN(Cc3c(F)cccc3Cl)C2)CC1 ZINC000174891232 144054140 /nfs/dbraw/zinc/05/41/40/144054140.db2.gz VUISVGHORGBIOX-OAHLLOKOSA-N 2 0 339.886 3.081 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@@H](C2CCCCC2)C1 ZINC000351607382 144287453 /nfs/dbraw/zinc/28/74/53/144287453.db2.gz WRFUBYQJUIKGPY-HXUWFJFHSA-N 2 0 340.471 3.357 10 0 EGAERP C[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+]1CCCCCC1 ZINC000118759327 152152997 /nfs/dbraw/zinc/15/29/97/152152997.db2.gz TWWJVFVDJQMYFL-GOSISDBHSA-N 2 0 343.515 3.163 10 0 EGAERP C[N@H+]1C[C@H]2CN(Cc3nc(-c4ccccc4Cl)cs3)C[C@H]2C1 ZINC000193614198 153296294 /nfs/dbraw/zinc/29/62/94/153296294.db2.gz XLIDNOIZRTWRCC-BETUJISGSA-N 2 0 333.888 3.457 10 0 EGAERP C[N@H+]1C[C@@H]2C[NH+](CCCCOc3ccccc3C(F)(F)F)C[C@@H]2C1 ZINC000193633055 153298365 /nfs/dbraw/zinc/29/83/65/153298365.db2.gz OJPUMVKCHFAULE-GASCZTMLSA-N 2 0 342.405 3.358 10 0 EGAERP C[C@@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccc1 ZINC000194485079 153340325 /nfs/dbraw/zinc/34/03/25/153340325.db2.gz LEDZNSODCXQEKD-IBGZPJMESA-N 2 0 329.532 3.330 10 0 EGAERP CCC1(C[NH2+]Cc2cncn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000362179910 157059952 /nfs/dbraw/zinc/05/99/52/157059952.db2.gz LRADZOKHTVYIKN-UHFFFAOYSA-N 2 0 326.488 3.202 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000112918874 162197705 /nfs/dbraw/zinc/19/77/05/162197705.db2.gz PVNYWZHFGPAJOI-HXUWFJFHSA-N 2 0 343.515 3.014 10 0 EGAERP COc1cc(Br)ccc1CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000248463672 163008242 /nfs/dbraw/zinc/00/82/42/163008242.db2.gz YZVXLTMBEINSAZ-CABCVRRESA-N 2 0 339.277 3.174 10 0 EGAERP Cc1ccncc1N1CCN(Cc2cnc(C3CCC3)s2)CC1 ZINC000343644796 164002419 /nfs/dbraw/zinc/00/24/19/164002419.db2.gz WYURPXXFWJUMKQ-UHFFFAOYSA-N 2 0 328.485 3.436 10 0 EGAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000343885615 164057952 /nfs/dbraw/zinc/05/79/52/164057952.db2.gz XVCWRXWOTRIDNW-PXNSSMCTSA-N 2 0 343.515 3.155 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCCOc1ccccc1 ZINC000346137785 164346985 /nfs/dbraw/zinc/34/69/85/164346985.db2.gz JCDIRAQFQXAFMV-UHFFFAOYSA-N 2 0 336.439 3.477 10 0 EGAERP C[NH+]1CCC(CC[NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000346546462 164394990 /nfs/dbraw/zinc/39/49/90/164394990.db2.gz BGSKQLCQCVXHKE-IBGZPJMESA-N 2 0 328.435 3.027 10 0 EGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+]CCC(=O)N2CCC[C@H]2C)cc1 ZINC000359524141 167178084 /nfs/dbraw/zinc/17/80/84/167178084.db2.gz VIDTXABUOZRCAH-CVEARBPZSA-N 2 0 340.471 3.232 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CCC[NH+](CC)CC)CC1 ZINC000360692236 167389900 /nfs/dbraw/zinc/38/99/00/167389900.db2.gz ZAICKUSRDRPZHT-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCCC(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367584797 168245225 /nfs/dbraw/zinc/24/52/25/168245225.db2.gz BTDHZMVTMFESKN-GUDVDZBRSA-N 2 0 329.488 3.388 10 0 EGAERP CCN(CC)C(=O)c1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000367617035 168250319 /nfs/dbraw/zinc/25/03/19/168250319.db2.gz PIYANVSVUCXGPA-VAMGGRTRSA-N 2 0 343.515 3.131 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@@H+]([C@@H](C)C(=O)N(C(C)C)C(C)C)C2)[nH+]1 ZINC000171651074 227195887 /nfs/dbraw/zinc/19/58/87/227195887.db2.gz CNCFDPACTANYQJ-ZWKOTPCHSA-N 2 0 346.519 3.158 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3cc(Br)ccc3C2)C1 ZINC000110821620 275181663 /nfs/dbraw/zinc/18/16/63/275181663.db2.gz LUTOGPIJIPZFEF-SUMWQHHRSA-N 2 0 337.305 3.238 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000365667954 275920856 /nfs/dbraw/zinc/92/08/56/275920856.db2.gz OXWFPFYOADISMX-AZUAARDMSA-N 2 0 333.564 3.469 10 0 EGAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2c2ccc(C)c(C)c2)CC1 ZINC000068301042 307369724 /nfs/dbraw/zinc/36/97/24/307369724.db2.gz MQKYTPWQPOFOKY-HXUWFJFHSA-N 2 0 343.515 3.041 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H]2CCCS2)CC1 ZINC000152603546 307756124 /nfs/dbraw/zinc/75/61/24/307756124.db2.gz IQLVVQJNIXRCTG-SFHVURJKSA-N 2 0 333.545 3.204 10 0 EGAERP COc1cc(Br)ccc1C[NH2+][C@H]1CCCC[C@H]1C[NH3+] ZINC000414796287 309102021 /nfs/dbraw/zinc/10/20/21/309102021.db2.gz HHNLDQRZQGWNJY-FZMZJTMJSA-N 2 0 327.266 3.065 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2cn(C)nc2-c2cccs2)cc1 ZINC000414813613 309103117 /nfs/dbraw/zinc/10/31/17/309103117.db2.gz UEOWEXTUIASAJC-ZDUSSCGKSA-N 2 0 326.469 3.458 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OC(F)F)c(Br)c1 ZINC000414954300 309111070 /nfs/dbraw/zinc/11/10/70/309111070.db2.gz KIVCXZDAWWIYKI-SKDRFNHKSA-N 2 0 349.219 3.138 10 0 EGAERP CC[C@@H]1C[C@@H](C[NH2+]C[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)CCO1 ZINC000415007156 309113992 /nfs/dbraw/zinc/11/39/92/309113992.db2.gz QXUAEYXNJKXIRV-SMMRIJLZSA-N 2 0 334.479 3.314 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1F ZINC000415057075 309117061 /nfs/dbraw/zinc/11/70/61/309117061.db2.gz TVJBWXVGAXHEQX-KVSKMBFKSA-N 2 0 334.479 3.477 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@@H]3OCCC[C@@H]3[NH3+])CC2)cc1C ZINC000415118045 309121626 /nfs/dbraw/zinc/12/16/26/309121626.db2.gz DNJOYILEMIWPET-ICSRJNTNSA-N 2 0 332.488 3.030 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)Nc2ccccc2CC[NH+](C)C)cc1 ZINC000415567288 309137118 /nfs/dbraw/zinc/13/71/18/309137118.db2.gz JPABNEGOJRTHOA-OAHLLOKOSA-N 2 0 340.471 3.132 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@H](C)C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415953981 309151117 /nfs/dbraw/zinc/15/11/17/309151117.db2.gz LRBMIUGBHOYAIX-IXDOHACOSA-N 2 0 346.519 3.284 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](C(CC)CC)[NH+](C)C ZINC000415962234 309151456 /nfs/dbraw/zinc/15/14/56/309151456.db2.gz WXYZDASACVAQGH-GOSISDBHSA-N 2 0 334.508 3.284 10 0 EGAERP CCN(CC[NH+]1CCCCCC1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418457506 309247028 /nfs/dbraw/zinc/24/70/28/309247028.db2.gz GYXDTCFXGRGRFM-QGZVFWFLSA-N 2 0 346.519 3.114 10 0 EGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+]C2CC3(C2)CCCCC3)CC1 ZINC000421361117 309320420 /nfs/dbraw/zinc/32/04/20/309320420.db2.gz GFERNZPPQISTBQ-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422723759 309365040 /nfs/dbraw/zinc/36/50/40/309365040.db2.gz SIUCSNPIPACGBG-CEXWTWQISA-N 2 0 327.472 3.031 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422740886 309366026 /nfs/dbraw/zinc/36/60/26/309366026.db2.gz CLJPAGDWPXXMKU-ZIAGYGMSSA-N 2 0 338.879 3.312 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)CCc1ccc(Br)cc1 ZINC000422739543 309366159 /nfs/dbraw/zinc/36/61/59/309366159.db2.gz LRVRIQRLDNNGJV-CZUORRHYSA-N 2 0 343.309 3.114 10 0 EGAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422789234 309368257 /nfs/dbraw/zinc/36/82/57/309368257.db2.gz RUGQBCBWBSMPMF-GCJKJVERSA-N 2 0 337.511 3.331 10 0 EGAERP COc1ccc([C@H](NC[C@H](CC(C)C)[NH+](C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422819978 309370207 /nfs/dbraw/zinc/37/02/07/309370207.db2.gz OQXJFPXRRWYDGX-IHPCNDPISA-N 2 0 333.520 3.054 10 0 EGAERP Cc1nc(CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887565 309374192 /nfs/dbraw/zinc/37/41/92/309374192.db2.gz BGJWQZWXRZZGBN-VQIMIIECSA-N 2 0 343.496 3.148 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H](C)c2cnccc2N)cc1 ZINC000422889791 309374539 /nfs/dbraw/zinc/37/45/39/309374539.db2.gz GVQKWUWVEHZGKC-INIZCTEOSA-N 2 0 342.487 3.066 10 0 EGAERP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000423051792 309383227 /nfs/dbraw/zinc/38/32/27/309383227.db2.gz PBZWXOFHLTVGOX-GBESFXJTSA-N 2 0 328.456 3.030 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]1[NH2+][C@H]1C[C@H](c2ccc(F)c(Br)c2)C1 ZINC000423093080 309385648 /nfs/dbraw/zinc/38/56/48/309385648.db2.gz FSJFIFOXWFAESN-FKGLVLAHSA-N 2 0 327.241 3.304 10 0 EGAERP c1csc(N2CCC([NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)n1 ZINC000423093695 309385651 /nfs/dbraw/zinc/38/56/51/309385651.db2.gz ABGPZQMYERGUMT-IXDOHACOSA-N 2 0 334.533 3.012 10 0 EGAERP Cc1cc(C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc(N2CCCC2)n1 ZINC000423120524 309386791 /nfs/dbraw/zinc/38/67/91/309386791.db2.gz HARSTDHIIZVRPB-HNNXBMFYSA-N 2 0 339.487 3.003 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)[C@@H]3CCC[C@@H]32)cc1 ZINC000423239630 309391987 /nfs/dbraw/zinc/39/19/87/309391987.db2.gz BMUYCYVVFFSUCF-VMXMFDLUSA-N 3 0 327.516 3.019 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+]CC[C@H]1CC[NH2+]C1)CCCO2 ZINC000423244943 309392113 /nfs/dbraw/zinc/39/21/13/309392113.db2.gz ICAZUGMLZADSDZ-IUODEOHRSA-N 2 0 339.277 3.252 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423272437 309393638 /nfs/dbraw/zinc/39/36/38/309393638.db2.gz HZSZDTRNCGCFAC-GDZNZVCISA-N 2 0 333.867 3.089 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NC[C@@]2(C)CCC[NH2+]C2)CC1 ZINC000423336888 309395871 /nfs/dbraw/zinc/39/58/71/309395871.db2.gz KBPVDDBCNIPURT-NQIIRXRSSA-N 2 0 329.532 3.061 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H]1CCc2c1cc(Br)cc2F ZINC000423362079 309396907 /nfs/dbraw/zinc/39/69/07/309396907.db2.gz AUCVSOJRTKSIMV-NKZPBKNFSA-N 2 0 327.241 3.163 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCOCC[NH+](C)C)cc1 ZINC000447604055 309984258 /nfs/dbraw/zinc/98/42/58/309984258.db2.gz YJYYCBWWQZBXCM-VQTJNVASSA-N 2 0 334.504 3.278 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC)[C@@H](C)C2)CC1 ZINC000449493589 310066722 /nfs/dbraw/zinc/06/67/22/310066722.db2.gz FDYDOMOVMGUPEF-GHTZIAJQSA-N 2 0 345.531 3.075 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnccc2C)CC1 ZINC000449522344 310068861 /nfs/dbraw/zinc/06/88/61/310068861.db2.gz JDOZJTBIZZORTH-UHFFFAOYSA-N 2 0 338.499 3.212 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC[C@H]2CCOC2)CC1 ZINC000449685860 310080843 /nfs/dbraw/zinc/08/08/43/310080843.db2.gz UNJIDZUBBNGOSK-IBGZPJMESA-N 2 0 345.531 3.125 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000449734803 310083180 /nfs/dbraw/zinc/08/31/80/310083180.db2.gz DTRXHLMVQDLFRY-QGLKVJOYSA-N 2 0 328.500 3.038 10 0 EGAERP CC[NH+](CC)CCO[C@H]1CC[N@H+](Cc2ccccc2OC2CC2)C1 ZINC000450458831 310123893 /nfs/dbraw/zinc/12/38/93/310123893.db2.gz YUSOOTZUUMFQSX-IBGZPJMESA-N 2 0 332.488 3.161 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3csc(C)c3)cn2)CC1 ZINC000453070359 310255837 /nfs/dbraw/zinc/25/58/37/310255837.db2.gz VBCXKDOCORQHIY-INIZCTEOSA-N 2 0 344.528 3.444 10 0 EGAERP COC1([C@@H](C)[NH2+]CC[C@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453133916 310260194 /nfs/dbraw/zinc/26/01/94/310260194.db2.gz NITGTXQTQFBZPF-ZWKOTPCHSA-N 2 0 334.504 3.071 10 0 EGAERP COC1([C@@H](C)[NH2+]C2CCC([NH+]3CCC(C)CC3)CC2)CCOCC1 ZINC000453176401 310262508 /nfs/dbraw/zinc/26/25/08/310262508.db2.gz QSINABMVELFEQG-LMDPOFIKSA-N 2 0 338.536 3.203 10 0 EGAERP c1ccc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]2CCOC2)cc1 ZINC000459460115 310554138 /nfs/dbraw/zinc/55/41/38/310554138.db2.gz IQQNOHNDTLKLEU-WIYYLYMNSA-N 2 0 337.467 3.418 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[NH+](CC)CC ZINC000469056781 310698691 /nfs/dbraw/zinc/69/86/91/310698691.db2.gz UUXAUBXRCXIAME-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP COc1ccc([C@H](C)C[NH+]2CCN(c3cc[nH+]cc3OC)CC2)cc1 ZINC000475621405 310814724 /nfs/dbraw/zinc/81/47/24/310814724.db2.gz PINVHXUVQOVPNR-MRXNPFEDSA-N 2 0 341.455 3.025 10 0 EGAERP C[C@H]([NH2+][C@@H](CO)CC1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000510934497 312150962 /nfs/dbraw/zinc/15/09/62/312150962.db2.gz QVAASKIWNJOUSN-QFBILLFUSA-N 2 0 334.504 3.219 10 0 EGAERP [NH3+]C[C@H](NC(=O)[C@@H]1CCCCCC[C@@H]1[NH3+])c1ccc2ccccc2c1 ZINC000515165455 312268773 /nfs/dbraw/zinc/26/87/73/312268773.db2.gz HVSSCDAFPWUKRX-AABGKKOBSA-N 2 0 339.483 3.254 10 0 EGAERP CC(C)CCc1ccccc1NC(=O)N(CC[NH+](C)C)CC[NH+](C)C ZINC000527376791 312862063 /nfs/dbraw/zinc/86/20/63/312862063.db2.gz LYFQSTNQPZNFLC-UHFFFAOYSA-N 2 0 348.535 3.232 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@@H]2CCC[C@@H]21 ZINC000552248849 315209261 /nfs/dbraw/zinc/20/92/61/315209261.db2.gz VKVBCRQOIIOEOJ-BZSNNMDCSA-N 2 0 344.499 3.198 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCc3nc(-c4ccc(F)cc4F)cn3C2)C1 ZINC000563423141 316019415 /nfs/dbraw/zinc/01/94/15/316019415.db2.gz CXELEXNVQPOUHP-ILXRZTDVSA-N 2 0 346.425 3.003 10 0 EGAERP Clc1cc(Cl)c2nc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)cn2c1 ZINC000565046710 316254966 /nfs/dbraw/zinc/25/49/66/316254966.db2.gz QAFKMFYQRBDWQD-TXEJJXNPSA-N 2 0 339.270 3.073 10 0 EGAERP Brc1ccc2c(ccnc2NC[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000565761730 316366075 /nfs/dbraw/zinc/36/60/75/316366075.db2.gz ACFQVFMBDBKBRW-LBPRGKRZSA-N 2 0 346.272 3.315 10 0 EGAERP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)C1CCCCC1 ZINC000571266394 317174690 /nfs/dbraw/zinc/17/46/90/317174690.db2.gz PVCXKSKFVWNJJH-OKCRPCIYSA-N 2 0 333.564 3.446 10 0 EGAERP Cc1nc2ccccc2n1CCc1noc([C@H]2CC[N@H+](C)[C@@H](C)C2)n1 ZINC000351201445 324193964 /nfs/dbraw/zinc/19/39/64/324193964.db2.gz COMVODWFSQNTEW-ZFWWWQNUSA-N 2 0 339.443 3.168 10 0 EGAERP C[C@H](CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1)n1ccnc1 ZINC000580081709 325200844 /nfs/dbraw/zinc/20/08/44/325200844.db2.gz XYYSJHWHXSIAAK-IEBWSBKVSA-N 2 0 340.471 3.005 10 0 EGAERP C[C@H](CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1)n1ccnc1 ZINC000580081710 325201385 /nfs/dbraw/zinc/20/13/85/325201385.db2.gz XYYSJHWHXSIAAK-MJGOQNOKSA-N 2 0 340.471 3.005 10 0 EGAERP C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc2c(c1)C(C)(C)C(=O)N2 ZINC000581118890 325332409 /nfs/dbraw/zinc/33/24/09/325332409.db2.gz WOOKXCKEPUECND-ZDUSSCGKSA-N 2 0 334.423 3.415 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@@H]32)C1 ZINC000183130210 455235408 /nfs/dbraw/zinc/23/54/08/455235408.db2.gz DTPBXAXZZQUTIR-CLAROIROSA-N 3 0 341.543 3.219 10 0 EGAERP C[N@H+]1CC=C(C[NH2+]Cc2cccc(F)c2OCC(F)(F)F)CC1 ZINC000623485164 460574993 /nfs/dbraw/zinc/57/49/93/460574993.db2.gz QJWNJRDGFSDHFB-UHFFFAOYSA-N 2 0 332.341 3.118 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cncc(C)c2)CC1 ZINC000123069967 454598356 /nfs/dbraw/zinc/59/83/56/454598356.db2.gz GAKLPYSXXSHXBQ-UHFFFAOYSA-N 2 0 338.499 3.212 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(C(F)(F)F)cc2)CC1 ZINC000106125496 454682026 /nfs/dbraw/zinc/68/20/26/454682026.db2.gz FTNYIPNIOWKMKE-CQSZACIVSA-N 2 0 344.421 3.230 10 0 EGAERP C[C@H]1C[C@@H]([N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)CCN1C ZINC000177008023 454811159 /nfs/dbraw/zinc/81/11/59/454811159.db2.gz XRRBDIYMISEOMG-HOCLYGCPSA-N 2 0 335.517 3.375 10 0 EGAERP C[C@@H](CN[C@@H](C)c1ccc(-n2cncn2)cc1Cl)C[NH+]1CCCC1 ZINC000165315922 454897600 /nfs/dbraw/zinc/89/76/00/454897600.db2.gz GPMGDHZWZCUGGT-GJZGRUSLSA-N 2 0 347.894 3.303 10 0 EGAERP C[C@@H](NC[C@H](C)C[NH+]1CCCC1)c1ccc(-n2cncn2)cc1Cl ZINC000165316165 454898285 /nfs/dbraw/zinc/89/82/85/454898285.db2.gz GPMGDHZWZCUGGT-LSDHHAIUSA-N 2 0 347.894 3.303 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H]2CCCOc3ccc(C)cc32)CC1 ZINC000154495590 454901972 /nfs/dbraw/zinc/90/19/72/454901972.db2.gz DGXZQYVEHMHHPH-HXUWFJFHSA-N 2 0 345.531 3.216 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000180074544 455127530 /nfs/dbraw/zinc/12/75/30/455127530.db2.gz ITHDTXFZIPKZFJ-FQEVSTJZSA-N 2 0 329.532 3.066 10 0 EGAERP Cc1cc(C[N@@H+](C)CC2CC[NH+](C[C@@H](C)O)CC2)c2ccccc2n1 ZINC000172418025 455152754 /nfs/dbraw/zinc/15/27/54/455152754.db2.gz LELQXBIHJFBZAM-QGZVFWFLSA-N 2 0 341.499 3.068 10 0 EGAERP Cc1ccc(CNC(=O)C[NH2+][C@@H](C)c2cccc(-n3ccnc3)c2)cc1 ZINC000180652041 455218657 /nfs/dbraw/zinc/21/86/57/455218657.db2.gz MDWLVPOSZGKSIX-KRWDZBQOSA-N 2 0 348.450 3.148 10 0 EGAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC[C@H](c2nc(-c3ccccc3)n[nH]2)C1 ZINC000181310261 455316042 /nfs/dbraw/zinc/31/60/42/455316042.db2.gz QTLAUGANNLLRBE-ROUUACIJSA-N 2 0 339.487 3.135 10 0 EGAERP C[N@@H+]1CCC[C@H]2CN(Cc3c(C4CC4)nc4sccn34)CC[C@H]21 ZINC000245610410 455339890 /nfs/dbraw/zinc/33/98/90/455339890.db2.gz BAHUKKAWOVEGBE-LSDHHAIUSA-N 2 0 330.501 3.189 10 0 EGAERP OC[C@H]1CC[C@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245655298 455348948 /nfs/dbraw/zinc/34/89/48/455348948.db2.gz DHONIHFWKCCXJL-YXOJAJARSA-N 2 0 328.500 3.323 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000265915165 455405163 /nfs/dbraw/zinc/40/51/63/455405163.db2.gz AIZMXXWMOPMUPJ-YLJYHZDGSA-N 2 0 345.531 3.331 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N(C)[C@H]2CC[N@H+](CC)C[C@H]2C)cc1 ZINC000265915163 455405847 /nfs/dbraw/zinc/40/58/47/455405847.db2.gz AIZMXXWMOPMUPJ-XLIONFOSSA-N 2 0 345.531 3.331 10 0 EGAERP Cc1c([C@H](C)[NH2+]CCCN2C[C@@H](C)O[C@@H](C)C2)cnn1C(C)(C)C ZINC000191139522 455450485 /nfs/dbraw/zinc/45/04/85/455450485.db2.gz FQPAGFQCHQAEBS-XHSDSOJGSA-N 2 0 336.524 3.096 10 0 EGAERP CCCc1ccc(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000182571031 455543726 /nfs/dbraw/zinc/54/37/26/455543726.db2.gz SKBANABDCGMCOZ-CBQGHPETSA-N 2 0 341.543 3.382 10 0 EGAERP Cc1cccc2c(NCCN3CCC([NH+](C)C)CC3)c(C)c[nH+]c12 ZINC000185340260 455543897 /nfs/dbraw/zinc/54/38/97/455543897.db2.gz QNVAMOFQNILXFU-UHFFFAOYSA-N 2 0 326.488 3.290 10 0 EGAERP Cc1ccccc1CCC[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182598147 455550289 /nfs/dbraw/zinc/55/02/89/455550289.db2.gz MVRSJRDFZYSJOO-CBQGHPETSA-N 2 0 341.543 3.170 10 0 EGAERP CCc1nccn1[C@@H]1CCCN(CC(=O)N[C@H](C)c2cccs2)C1 ZINC000247144011 455566062 /nfs/dbraw/zinc/56/60/62/455566062.db2.gz LCWUQBBINJYJSJ-HUUCEWRRSA-N 2 0 346.500 3.021 10 0 EGAERP C[C@H]([NH2+]C[C@H](O)c1cc(F)ccc1F)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000185680225 455596283 /nfs/dbraw/zinc/59/62/83/455596283.db2.gz NCDKZMARODFGOF-NJSLBKSFSA-N 2 0 338.442 3.241 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N2CCC[C@H]2C[NH+](C)C)cc1 ZINC000268171120 455608670 /nfs/dbraw/zinc/60/86/70/455608670.db2.gz PSGXRUCNILCUNQ-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]CCC[N@H+](C)Cc2ccccc2)C12CCOCC2 ZINC000186215557 455717720 /nfs/dbraw/zinc/71/77/20/455717720.db2.gz GZNLHQGUDZEIGM-PMACEKPBSA-N 2 0 346.515 3.072 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271692892 455725164 /nfs/dbraw/zinc/72/51/64/455725164.db2.gz KPINZGCCIVOFKJ-OXQOHEQNSA-N 2 0 333.495 3.140 10 0 EGAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000623724081 460691622 /nfs/dbraw/zinc/69/16/22/460691622.db2.gz SLSCIYRPICWQNE-AXVVYFOYSA-N 2 0 332.488 3.063 10 0 EGAERP CC[C@@H]([NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1)[C@H](O)C(F)F ZINC000296312860 455906396 /nfs/dbraw/zinc/90/63/96/455906396.db2.gz GKWRXSNTQXNPMJ-HIEASXQVSA-N 2 0 340.458 3.424 10 0 EGAERP CC(C)(C)c1cccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@@H]2COCCN2)c1 ZINC000261946661 455976149 /nfs/dbraw/zinc/97/61/49/455976149.db2.gz NSCDHDSWYSHAHX-AQNXPRMDSA-N 2 0 346.515 3.110 10 0 EGAERP C[C@@H](Cc1ccccc1F)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000188083405 455993424 /nfs/dbraw/zinc/99/34/24/455993424.db2.gz SUYRMEDFORGMGT-SFHVURJKSA-N 2 0 347.522 3.297 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1)c1ccccc1 ZINC000262629447 456049064 /nfs/dbraw/zinc/04/90/64/456049064.db2.gz DJOOPKSEUJHNQS-NQYYFHDYSA-N 2 0 343.515 3.153 10 0 EGAERP Cn1nc(C(F)(F)F)c(CN2CCC(c3ncc[nH]3)CC2)c1Cl ZINC000272843547 456087350 /nfs/dbraw/zinc/08/73/50/456087350.db2.gz JDDLVBRLLVRFBH-UHFFFAOYSA-N 2 0 347.772 3.195 10 0 EGAERP Fc1cc(CN2CCC[C@@H](c3ncc4n3CCCC4)C2)c(F)cn1 ZINC000297071244 456109441 /nfs/dbraw/zinc/10/94/41/456109441.db2.gz ZNFWCTNMHAEFNB-CYBMUJFWSA-N 2 0 332.398 3.272 10 0 EGAERP COc1ccc(CC[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1O ZINC000297435507 456220562 /nfs/dbraw/zinc/22/05/62/456220562.db2.gz FUVMDEQMCDGAMG-AWEZNQCLSA-N 2 0 325.412 3.159 10 0 EGAERP Cc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)c1C ZINC000297666633 456273274 /nfs/dbraw/zinc/27/32/74/456273274.db2.gz ZJGBDZAKNKXTBW-HNNXBMFYSA-N 2 0 336.439 3.458 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)c(C)c1OC ZINC000347660633 456287756 /nfs/dbraw/zinc/28/77/56/456287756.db2.gz XRHUCGDBRFUTOV-UHFFFAOYSA-N 2 0 332.488 3.320 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H](C)c2cnn(C3CCCC3)c2)CC1 ZINC000337532827 456361525 /nfs/dbraw/zinc/36/15/25/456361525.db2.gz WIJKSCJMQHGEAI-SFHVURJKSA-N 2 0 347.551 3.067 10 0 EGAERP CC(C)[C@H]([NH2+]CCN1CC[N@H+](C)C(C)(C)C1)c1ccc(F)c(F)c1 ZINC000282453438 456519496 /nfs/dbraw/zinc/51/94/96/456519496.db2.gz VEJKESMOCWCKSA-SFHVURJKSA-N 2 0 339.474 3.278 10 0 EGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@H]1CO)CCCO2 ZINC000305156706 456531196 /nfs/dbraw/zinc/53/11/96/456531196.db2.gz VWLFNWNCQQHZCR-ICSRJNTNSA-N 2 0 346.515 3.344 10 0 EGAERP CSC1(C[NH2+]Cc2ccccc2OCC2CC2)CC[NH+](C)CC1 ZINC000353219616 456569047 /nfs/dbraw/zinc/56/90/47/456569047.db2.gz BPHQSTFFUGVVJO-UHFFFAOYSA-N 2 0 334.529 3.392 10 0 EGAERP CN(CC(C)(C)C[N@H+](C)Cc1ccccc1)[C@@H]1CC[NH+](C2CC2)C1 ZINC000353311378 456629095 /nfs/dbraw/zinc/62/90/95/456629095.db2.gz UVQCVJZMIOWXRO-HXUWFJFHSA-N 2 0 329.532 3.313 10 0 EGAERP COc1ccc(CN2CCC[C@@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494672 456630502 /nfs/dbraw/zinc/63/05/02/456630502.db2.gz VPVHYTFVLMLSKZ-HIFRSBDPSA-N 2 0 338.879 3.321 10 0 EGAERP Cc1cc(C)n(-c2ccccc2C[NH2+][C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)n1 ZINC000353408592 456682199 /nfs/dbraw/zinc/68/21/99/456682199.db2.gz ZORRHSRZAMTFNU-ZVDOUQERSA-N 2 0 338.499 3.452 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@H](c2cccs2)[NH+]2CCCC2)[C@@H]2CCC[C@H]21 ZINC000353432397 456696095 /nfs/dbraw/zinc/69/60/95/456696095.db2.gz BRFDELLZBVGYFZ-WNRNVDISSA-N 2 0 333.545 3.347 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)c1 ZINC000353502139 456720301 /nfs/dbraw/zinc/72/03/01/456720301.db2.gz KWDPATNHUSSGOD-NJYVYQBISA-N 3 0 329.532 3.489 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C[C@@H]1CCCO1)C1CCCC1 ZINC000346223955 457023944 /nfs/dbraw/zinc/02/39/44/457023944.db2.gz QANKDAAKNLMAJH-FQEVSTJZSA-N 2 0 340.471 3.499 10 0 EGAERP FC(F)(F)COCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000354155347 457097782 /nfs/dbraw/zinc/09/77/82/457097782.db2.gz LHSQNWGBXBRGSB-ALOPSCKCSA-N 2 0 342.405 3.351 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3cccc(F)c3)cn2)CC1 ZINC000360023275 457208927 /nfs/dbraw/zinc/20/89/27/457208927.db2.gz KNWTZRDIAKHKTI-MRXNPFEDSA-N 2 0 342.462 3.213 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)C[C@H]1C ZINC000354425575 457214765 /nfs/dbraw/zinc/21/47/65/457214765.db2.gz JTCYXLKBCGXYQR-XLIONFOSSA-N 2 0 343.515 3.227 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)n2)c1 ZINC000391935523 457455927 /nfs/dbraw/zinc/45/59/27/457455927.db2.gz JYOSPPLSUAPOGJ-GJZGRUSLSA-N 2 0 346.500 3.195 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]C1CCC(C[NH+](C)C)CC1 ZINC000352696979 457540092 /nfs/dbraw/zinc/54/00/92/457540092.db2.gz VCYCJSSKHZRSJV-UHFFFAOYSA-N 2 0 326.488 3.297 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358178638 457839581 /nfs/dbraw/zinc/83/95/81/457839581.db2.gz DKMUYKJBOOLOOS-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP COC1CCC(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)CC1 ZINC000361919772 457954733 /nfs/dbraw/zinc/95/47/33/457954733.db2.gz UGOYQIWLPLEHHH-MUYFXNHWSA-N 2 0 334.504 3.483 10 0 EGAERP C[N@@H+]1CC[C@]2(CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC000411760880 457972986 /nfs/dbraw/zinc/97/29/86/457972986.db2.gz UFJXNEDDGCSMTO-NRFANRHFSA-N 2 0 327.516 3.200 10 0 EGAERP CC(C)C(=O)Nc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000375800883 458070694 /nfs/dbraw/zinc/07/06/94/458070694.db2.gz FNNUNNJIEDEXMO-OTWHNJEPSA-N 2 0 329.488 3.244 10 0 EGAERP Cc1cc(NC(=O)CC[C@H]2CCCC[N@@H+]2C)ccc1OCC[NH+](C)C ZINC000412420260 458199395 /nfs/dbraw/zinc/19/93/95/458199395.db2.gz RKOWZYQUOSTSMC-GOSISDBHSA-N 2 0 347.503 3.138 10 0 EGAERP COCCSCCC[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000376400830 458289639 /nfs/dbraw/zinc/28/96/39/458289639.db2.gz NNDUCFUMRRDDBM-INIZCTEOSA-N 2 0 337.533 3.169 10 0 EGAERP C[C@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000447719990 458333947 /nfs/dbraw/zinc/33/39/47/458333947.db2.gz AJZSILBCMHAXQX-QAPCUYQASA-N 2 0 345.487 3.275 10 0 EGAERP C[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1nccc2ccccc21 ZINC000423501675 458444614 /nfs/dbraw/zinc/44/46/14/458444614.db2.gz BPEVLDPOIHBSDU-IVMQYODDSA-N 2 0 338.499 3.102 10 0 EGAERP Cc1cc(C)c([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1C ZINC000423506383 458445742 /nfs/dbraw/zinc/44/57/42/458445742.db2.gz IOUVKZICLCBPNV-HDYDNRTBSA-N 2 0 329.532 3.479 10 0 EGAERP c1ccc([C@H]2CC[C@H]([NH2+]C3CCC([NH+]4CCNCC4)CC3)C2)cc1 ZINC000423513746 458447704 /nfs/dbraw/zinc/44/77/04/458447704.db2.gz SARQYXWSAXAMDZ-QEMIJWRASA-N 2 0 327.516 3.129 10 0 EGAERP Cc1ccc(C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423525761 458451642 /nfs/dbraw/zinc/45/16/42/458451642.db2.gz YODITLIAERILMJ-LZBANZJXSA-N 2 0 341.543 3.122 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CCC2=CC[NH2+]CC2)C3)cc1 ZINC000423536647 458455076 /nfs/dbraw/zinc/45/50/76/458455076.db2.gz IBIOWYWESXDUIP-MZADTFQBSA-N 3 0 325.500 3.081 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547027 458456084 /nfs/dbraw/zinc/45/60/84/458456084.db2.gz ZZGRIIFHUMWYNH-LBPRGKRZSA-N 2 0 341.268 3.419 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](CC)CC ZINC000469056962 458552236 /nfs/dbraw/zinc/55/22/36/458552236.db2.gz UUXAUBXRCXIAME-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](C)Cc1cccc(CNC(=O)CC[C@H]2CCCC[NH+]2C)c1 ZINC000431727248 458613945 /nfs/dbraw/zinc/61/39/45/458613945.db2.gz JSPSYYYZKWDVAW-LJQANCHMSA-N 2 0 331.504 3.019 10 0 EGAERP C[C@H](NCC[N@@H+]1CCCC[C@@H]1C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000547504391 458751266 /nfs/dbraw/zinc/75/12/66/458751266.db2.gz FGJVAAAWEDTFIU-ZJOUEHCJSA-N 2 0 329.532 3.361 10 0 EGAERP CC1CC[NH+](Cc2ccccc2C[NH2+][C@H]2CCC(=O)NC2(C)C)CC1 ZINC000494920482 458764551 /nfs/dbraw/zinc/76/45/51/458764551.db2.gz SYXLQTFOYZDFGD-IBGZPJMESA-N 2 0 343.515 3.065 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCC1C[C@@H](C)O[C@H](C)C1 ZINC000576844879 458933896 /nfs/dbraw/zinc/93/38/96/458933896.db2.gz VPRNIOWBHRNBLE-HUUCEWRRSA-N 2 0 328.460 3.259 10 0 EGAERP c1ccc(OCCOCC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000441417362 458939038 /nfs/dbraw/zinc/93/90/38/458939038.db2.gz ZYHMCLIGYMVSQU-GHTZIAJQSA-N 2 0 344.499 3.031 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+](C)C ZINC000531707275 458964719 /nfs/dbraw/zinc/96/47/19/458964719.db2.gz HZMNLPCNYXKPGB-CYBMUJFWSA-N 2 0 345.409 3.354 10 0 EGAERP c1ccc(-c2n[nH]c([C@H]3CCC[N@@H+](CC[C@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000577595130 459058094 /nfs/dbraw/zinc/05/80/94/459058094.db2.gz WZQIWDYXEZORLK-AEFFLSMTSA-N 2 0 339.487 3.041 10 0 EGAERP CC(C)Cc1ncc(C[N@@H+]2CCC[C@@H](N3CCOCC3)CC2)s1 ZINC000577626918 459064983 /nfs/dbraw/zinc/06/49/83/459064983.db2.gz YVCHFAMYCVRIHA-MRXNPFEDSA-N 2 0 337.533 3.028 10 0 EGAERP C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448111 459090766 /nfs/dbraw/zinc/09/07/66/459090766.db2.gz MQQOAPMAQIYDAF-UTKZUKDTSA-N 2 0 329.532 3.491 10 0 EGAERP C[C@H]1CN(C)C[C@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514666 459105270 /nfs/dbraw/zinc/10/52/70/459105270.db2.gz MTLAZMIZKIKUSG-HNAYVOBHSA-N 2 0 335.923 3.092 10 0 EGAERP CC(C)C[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+](C)C ZINC000480535694 459203953 /nfs/dbraw/zinc/20/39/53/459203953.db2.gz LMJPJFPUWXRXGD-TYPHKJRUSA-N 2 0 331.548 3.463 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CC1CCN(c2cc[nH+]cc2)CC1 ZINC000595013553 459215549 /nfs/dbraw/zinc/21/55/49/459215549.db2.gz JRDWZDMXLTVRNR-INIZCTEOSA-N 2 0 347.503 3.256 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2nc(C)c3ccccc3n2)CC1 ZINC000590785810 459219895 /nfs/dbraw/zinc/21/98/95/459219895.db2.gz OCACXKQUTMFQHU-UHFFFAOYSA-N 2 0 326.488 3.492 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCC[NH+](C)C1CCCC1 ZINC000482557423 459313470 /nfs/dbraw/zinc/31/34/70/459313470.db2.gz KUFYUQYGMSVEAY-WIYYLYMNSA-N 2 0 329.532 3.361 10 0 EGAERP COc1ccncc1CN[C@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582605604 459393681 /nfs/dbraw/zinc/39/36/81/459393681.db2.gz HNXWZGJFUMCNIX-IBGZPJMESA-N 2 0 337.467 3.377 10 0 EGAERP C[C@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527630206 459677314 /nfs/dbraw/zinc/67/73/14/459677314.db2.gz ZJXYJUPKWVJIHS-LEUOFYLZSA-N 2 0 333.545 3.061 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)cc2)ccn1 ZINC000527635126 459679093 /nfs/dbraw/zinc/67/90/93/459679093.db2.gz VDILTUWEAVEQPQ-ROUUACIJSA-N 2 0 339.483 3.289 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527720932 459713607 /nfs/dbraw/zinc/71/36/07/459713607.db2.gz KQMJKNCXEMVEHO-UXPWSPDFSA-N 2 0 328.500 3.038 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809931 459745703 /nfs/dbraw/zinc/74/57/03/459745703.db2.gz UKVSDCMPBRYAJC-PLMTUMEDSA-N 2 0 349.478 3.238 10 0 EGAERP COc1ccc(Br)cc1CN1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000584782953 459801080 /nfs/dbraw/zinc/80/10/80/459801080.db2.gz YZONEHLDFLHPGX-INIZCTEOSA-N 2 0 339.277 3.033 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(C(=O)OC)c(Cl)c2)CC1 ZINC000597055394 459827019 /nfs/dbraw/zinc/82/70/19/459827019.db2.gz KEBDZRFABKNEKF-UHFFFAOYSA-N 2 0 338.879 3.338 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H](C[NH2+][C@@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000597199458 459874504 /nfs/dbraw/zinc/87/45/04/459874504.db2.gz CZFGIIGURUCYBD-OTWHNJEPSA-N 2 0 342.483 3.110 10 0 EGAERP F[C@@H](c1nc(-c2cccc(C[NH+]3CCCCC3)c2)no1)[C@H]1CC[NH2+]C1 ZINC000634553715 460417092 /nfs/dbraw/zinc/41/70/92/460417092.db2.gz FRTSNFISVQFZLA-DLBZAZTESA-N 2 0 344.434 3.343 10 0 EGAERP C[C@@H]([NH2+][C@@H](CO)c1cccc(C(F)(F)F)c1)C1CC[NH+](C)CC1 ZINC000631657901 460492867 /nfs/dbraw/zinc/49/28/67/460492867.db2.gz AZKQWFZAHGCKHK-WBMJQRKESA-N 2 0 330.394 3.059 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc1Br ZINC000634733034 460497925 /nfs/dbraw/zinc/49/79/25/460497925.db2.gz VSFFETMJNRSIIT-CYBMUJFWSA-N 2 0 341.293 3.326 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@H]2CC[N@@H+](C)C(C)(C)C2)CC1 ZINC000623360892 460509703 /nfs/dbraw/zinc/50/97/03/460509703.db2.gz CWHYREQKCNYITA-FQEVSTJZSA-N 2 0 329.532 3.422 10 0 EGAERP C[C@@H]([NH2+][C@@H]1[C@H]2Cc3cc(Br)ccc3[C@@H]12)C1CC[NH+](C)CC1 ZINC000631699463 460520741 /nfs/dbraw/zinc/52/07/41/460520741.db2.gz JALDJGUFZIKNQA-JZDMUPLMSA-N 2 0 349.316 3.407 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CCN(C(=O)c3ccccc3)CC2)CC1(C)C ZINC000623427015 460542863 /nfs/dbraw/zinc/54/28/63/460542863.db2.gz JDIWFEKOAXNECN-IBGZPJMESA-N 2 0 343.515 3.001 10 0 EGAERP [NH3+]CCCOCC[NH2+]Cc1cc(Cl)ccc1OC1CCCC1 ZINC000629402263 460748162 /nfs/dbraw/zinc/74/81/62/460748162.db2.gz YJHPGTDXXAGSFQ-UHFFFAOYSA-N 2 0 326.868 3.116 10 0 EGAERP Cc1cc(OCCC[C@H](C)[NH2+]CC2([NH3+])CCOCC2)ccc1Cl ZINC000629522276 460794614 /nfs/dbraw/zinc/79/46/14/460794614.db2.gz ZDDXWNADNPGSJY-HNNXBMFYSA-N 2 0 340.895 3.293 10 0 EGAERP CC[C@@H]([NH2+]CC1([NH3+])CCOCC1)c1ccc2cc(OC)ccc2c1 ZINC000629523258 460794733 /nfs/dbraw/zinc/79/47/33/460794733.db2.gz COYLQYKRPYFTRJ-LJQANCHMSA-N 2 0 328.456 3.397 10 0 EGAERP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)CC1 ZINC000629531653 460797453 /nfs/dbraw/zinc/79/74/53/460797453.db2.gz STTIVVDRHMZBEK-VYJAJWGXSA-N 2 0 338.536 3.107 10 0 EGAERP Fc1ccccc1-c1nc(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)co1 ZINC000629533669 460799537 /nfs/dbraw/zinc/79/95/37/460799537.db2.gz OBGVMANIOGDZEK-SFHVURJKSA-N 2 0 329.419 3.445 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629534525 460799898 /nfs/dbraw/zinc/79/98/98/460799898.db2.gz ALUJYTCOYKNKFB-OAHLLOKOSA-N 2 0 349.475 3.282 10 0 EGAERP C[C@H]1C[C@@H](C[N@@H+]2CCc3cc(F)cc(Br)c3C2)CC[NH2+]1 ZINC000629671945 460859527 /nfs/dbraw/zinc/85/95/27/460859527.db2.gz KRNPDCFBGSLKTD-RYUDHWBXSA-N 2 0 341.268 3.334 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2cncc(Cl)c2)CC1 ZINC000621271950 460970299 /nfs/dbraw/zinc/97/02/99/460970299.db2.gz ZBOLHUUEBDVFOA-UHFFFAOYSA-N 2 0 339.911 3.305 10 0 EGAERP Fc1cccc(C[NH+]2CCC([C@H]3CCC[NH2+]3)CC2)c1OC(F)F ZINC000662275273 461161059 /nfs/dbraw/zinc/16/10/59/461161059.db2.gz YRQPKVUBXPPFEC-OAHLLOKOSA-N 2 0 328.378 3.391 10 0 EGAERP c1cn(CCCC2CC[NH+](Cc3cccc4c3CC[NH2+]C4)CC2)cn1 ZINC000662278798 461162968 /nfs/dbraw/zinc/16/29/68/461162968.db2.gz MANUVIPCUMZQMC-UHFFFAOYSA-N 2 0 338.499 3.221 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOC[C@H]2CC2CCC2)cc1 ZINC000646296618 461177305 /nfs/dbraw/zinc/17/73/05/461177305.db2.gz MZPWYRRRBWTBHE-LJQANCHMSA-N 2 0 332.488 3.018 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cc3n(n2)CCC3)CC1)CC(C)C ZINC000649573079 461185126 /nfs/dbraw/zinc/18/51/26/461185126.db2.gz SFPAEVBJDGSDKB-UHFFFAOYSA-N 2 0 332.536 3.409 10 0 EGAERP C[C@@H]1CCC[N@H+](CC(=O)N[C@@H]2CCCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662313707 461185507 /nfs/dbraw/zinc/18/55/07/461185507.db2.gz XQPUQGBXLUBXJV-NSISKUIASA-N 2 0 343.515 3.020 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(Br)cn2)[C@@H]1CCC[NH3+] ZINC000662316694 461188244 /nfs/dbraw/zinc/18/82/44/461188244.db2.gz MCFJEENOZCYVRM-IUODEOHRSA-N 2 0 326.282 3.184 10 0 EGAERP C[NH+](C)CCC[C@H]1C[N@H+](CC2CCC(C(F)(F)F)CC2)CCO1 ZINC000662324566 461191545 /nfs/dbraw/zinc/19/15/45/461191545.db2.gz YAIQOCQXZJSUFY-GPANFISMSA-N 2 0 336.442 3.398 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@H]1[NH2+]Cc2ccccc21)C1CCCCC1 ZINC000659327614 461296325 /nfs/dbraw/zinc/29/63/25/461296325.db2.gz QTRVVXIIMRIVBY-HXUWFJFHSA-N 2 0 343.515 3.382 10 0 EGAERP CC(C)c1ccc([C@H]([NH3+])CNC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000646697067 461374501 /nfs/dbraw/zinc/37/45/01/461374501.db2.gz SSXRTFGVIZKFNF-IPMKNSEASA-N 2 0 331.504 3.224 10 0 EGAERP COc1ccc([C@H](Cc2ccncc2)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655804095 461463497 /nfs/dbraw/zinc/46/34/97/461463497.db2.gz PAEYSRJFBSUCMN-DSKINZAPSA-N 2 0 339.483 3.304 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000655805919 461465598 /nfs/dbraw/zinc/46/55/98/461465598.db2.gz UUAWWWGXLVWJFY-OSAQELSMSA-N 2 0 327.394 3.408 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCc2cccnc2)C1 ZINC000655827646 461481883 /nfs/dbraw/zinc/48/18/83/461481883.db2.gz WFNSOSYWSPSFIH-IZAXUBKRSA-N 2 0 325.456 3.090 10 0 EGAERP CN1CC[NH+](CCCC[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631041048 461493635 /nfs/dbraw/zinc/49/36/35/461493635.db2.gz NEBWTDIPAQYUGE-UHFFFAOYSA-N 2 0 335.879 3.203 10 0 EGAERP CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3CC[C@@H](C4CC4)[NH2+]3)cc2)CC1 ZINC000653108073 461505103 /nfs/dbraw/zinc/50/51/03/461505103.db2.gz HOPXSWGLVZRDLX-PMACEKPBSA-N 2 0 341.499 3.388 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631084090 461534914 /nfs/dbraw/zinc/53/49/14/461534914.db2.gz RSHOFXMNLZUGOD-UHFFFAOYSA-N 2 0 335.879 3.202 10 0 EGAERP c1cc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)n(-c2ccccn2)n1 ZINC000647168959 461537238 /nfs/dbraw/zinc/53/72/38/461537238.db2.gz SWYBTSWRZFVZOQ-UHFFFAOYSA-N 2 0 347.466 3.153 10 0 EGAERP CC(C)C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)c1ccncc1 ZINC000647294850 461618728 /nfs/dbraw/zinc/61/87/28/461618728.db2.gz PXWRXZYNKFPXCH-ZCNNSNEGSA-N 2 0 331.504 3.136 10 0 EGAERP CC[C@H](C)C[C@@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000647336718 461642308 /nfs/dbraw/zinc/64/23/08/461642308.db2.gz FIHAEGVRICUAKM-UEXGIBASSA-N 2 0 332.532 3.469 10 0 EGAERP COC[C@H](CC(C)(C)C)[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201268 461646198 /nfs/dbraw/zinc/64/61/98/461646198.db2.gz MTQIZKJPYANQDQ-XAUMDUMWSA-N 2 0 332.488 3.283 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCCC23CCOCC3)[C@H](c2ccccc2)C1 ZINC000647344293 461648337 /nfs/dbraw/zinc/64/83/37/461648337.db2.gz NKVBICBCMDXCHJ-HSALFYBXSA-N 2 0 328.500 3.271 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](c1ccccc1)c1ccc(OC)cc1 ZINC000643456700 461731759 /nfs/dbraw/zinc/73/17/59/461731759.db2.gz FMJJIPVKOHMTFA-ICSRJNTNSA-N 2 0 328.456 3.128 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCOC2CCC2)cc1 ZINC000656407181 461736337 /nfs/dbraw/zinc/73/63/37/461736337.db2.gz RAEZBDWCZOMFAO-PDGJWGCVSA-N 2 0 340.511 3.398 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000643535492 461757495 /nfs/dbraw/zinc/75/74/95/461757495.db2.gz FFJNNFXSKHGJOW-UONOGXRCSA-N 2 0 339.252 3.307 10 0 EGAERP c1cc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c2c(c1)OCCCO2 ZINC000656785140 461895045 /nfs/dbraw/zinc/89/50/45/461895045.db2.gz JKQGTTGBFPTKFD-KRWDZBQOSA-N 2 0 330.472 3.060 10 0 EGAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714086 461907274 /nfs/dbraw/zinc/90/72/74/461907274.db2.gz QOWLNKAHUIRSGQ-NSHDSACASA-N 2 0 329.257 3.238 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC1 ZINC000653871622 461911207 /nfs/dbraw/zinc/91/12/07/461911207.db2.gz HOEASZKDFUNAJA-INIZCTEOSA-N 2 0 331.495 3.206 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@H]2CCc3c2cc(Br)cc3F)CC1 ZINC000650744083 461929185 /nfs/dbraw/zinc/92/91/85/461929185.db2.gz FYHVCFXXCCLGOJ-AWEZNQCLSA-N 2 0 327.241 3.294 10 0 EGAERP C[C@@H]([NH2+][C@H]1CNc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000650750823 461933010 /nfs/dbraw/zinc/93/30/10/461933010.db2.gz LPGZMLVDSGJAME-VQIMIIECSA-N 2 0 339.483 3.314 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1sc(CCOC)nc1C ZINC000650757300 461936797 /nfs/dbraw/zinc/93/67/97/461936797.db2.gz UFSUGZDUTPXSLG-ZDUSSCGKSA-N 2 0 333.501 3.211 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)C1(CO)CC=CC1 ZINC000648069926 461967016 /nfs/dbraw/zinc/96/70/16/461967016.db2.gz SJBFYFHOYMAQOG-HXUWFJFHSA-N 2 0 346.515 3.070 10 0 EGAERP Cc1cc(NCc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c2ccccc2[nH+]1 ZINC000664239886 461993564 /nfs/dbraw/zinc/99/35/64/461993564.db2.gz SHYJSWUZGWHGSG-LJQANCHMSA-N 2 0 347.462 3.144 10 0 EGAERP CC(C)Oc1ccc(CC[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657300395 462028295 /nfs/dbraw/zinc/02/82/95/462028295.db2.gz DRWWJABEZXRKKX-UHFFFAOYSA-N 2 0 336.439 3.387 10 0 EGAERP Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(F)c(C[NH+](C)C)c1 ZINC000657362943 462072075 /nfs/dbraw/zinc/07/20/75/462072075.db2.gz KLMXUTJUSWVLEA-UHFFFAOYSA-N 2 0 330.451 3.178 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+]Cc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415867 462109696 /nfs/dbraw/zinc/10/96/96/462109696.db2.gz ODELTFWJOIDRLG-MJGOQNOKSA-N 2 0 338.499 3.220 10 0 EGAERP COC1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CCOCC1 ZINC000648484378 462141045 /nfs/dbraw/zinc/14/10/45/462141045.db2.gz WIZLITPURZCEFR-UHFFFAOYSA-N 2 0 340.552 3.451 10 0 EGAERP C[C@@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cc1 ZINC000657534807 462170639 /nfs/dbraw/zinc/17/06/39/462170639.db2.gz DFRLPLHDBJNBMK-INIZCTEOSA-N 2 0 334.479 3.410 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1)CC1CCCCC1 ZINC000645106833 462181200 /nfs/dbraw/zinc/18/12/00/462181200.db2.gz JPYQVGKXCUFJPX-QRVBRYPASA-N 2 0 335.536 3.055 10 0 EGAERP CCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000657596114 462197848 /nfs/dbraw/zinc/19/78/48/462197848.db2.gz VDFYREZZIATNKL-QGZVFWFLSA-N 2 0 330.497 3.167 10 0 EGAERP C/C(=C/c1ccccc1)C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657596200 462198005 /nfs/dbraw/zinc/19/80/05/462198005.db2.gz VSFBCGXPCFWPRT-CHMLTUNVSA-N 2 0 336.479 3.446 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H]3CCOC3)cc2)[C@H](C)C1 ZINC000667666841 462200577 /nfs/dbraw/zinc/20/05/77/462200577.db2.gz ZIBRBXZOYHAFHG-AHRSYUTCSA-N 2 0 332.488 3.016 10 0 EGAERP CC1(C)C[N@H+](CCCCO)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664835380 462209858 /nfs/dbraw/zinc/20/98/58/462209858.db2.gz AKFZVQBXKSLEIF-FQEVSTJZSA-N 2 0 330.516 3.382 10 0 EGAERP CC1(C)C[N@@H+]([C@H]2CCOC2)[C@@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664837094 462210473 /nfs/dbraw/zinc/21/04/73/462210473.db2.gz MMCFCVMBRWNGTF-VQTJNVASSA-N 2 0 328.500 3.398 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](Cc2cnn3c2CCC3)CC1 ZINC000667688099 462215869 /nfs/dbraw/zinc/21/58/69/462215869.db2.gz FPNHPZKRVDSXNU-QGZVFWFLSA-N 2 0 330.520 3.306 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000657678380 462227908 /nfs/dbraw/zinc/22/79/08/462227908.db2.gz QEQFEFSXYUHLDL-SFHVURJKSA-N 2 0 339.487 3.072 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@H]1C ZINC000657838197 462291087 /nfs/dbraw/zinc/29/10/87/462291087.db2.gz OREQITUBQAYZJY-MJGOQNOKSA-N 2 0 326.525 3.062 10 0 EGAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21)OC ZINC000658083450 462376195 /nfs/dbraw/zinc/37/61/95/462376195.db2.gz QQWJFWJEXGGUEK-BQJUDKOJSA-N 2 0 346.515 3.071 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665276360 462379306 /nfs/dbraw/zinc/37/93/06/462379306.db2.gz AWJMYDCZLPOMBG-XUVXKRRUSA-N 3 0 327.516 3.006 10 0 EGAERP CC[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277051 462379827 /nfs/dbraw/zinc/37/98/27/462379827.db2.gz RTDUMTRDGRLIDX-HBMCJLEFSA-N 2 0 341.543 3.409 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277128 462380681 /nfs/dbraw/zinc/38/06/81/462380681.db2.gz ULOCQENUNLAAAJ-UYAOXDASSA-N 3 0 329.532 3.396 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2C)CC1)C1CCOCC1 ZINC000658093644 462380657 /nfs/dbraw/zinc/38/06/57/462380657.db2.gz CLORBDYNWJTILZ-UXPWSPDFSA-N 2 0 338.536 3.061 10 0 EGAERP COCC[N@@H+]1CC[C@H](Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000651959801 462394100 /nfs/dbraw/zinc/39/41/00/462394100.db2.gz FFFQNWBNMYBNTM-SFHVURJKSA-N 2 0 349.544 3.007 10 0 EGAERP C[C@@H](Cc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139934 462403321 /nfs/dbraw/zinc/40/33/21/462403321.db2.gz OPIIORWRJHSXOM-KXBFYZLASA-N 2 0 330.497 3.036 10 0 EGAERP Cc1cccc2c1CC[C@H]2[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139977 462404139 /nfs/dbraw/zinc/40/41/39/462404139.db2.gz PCBZNNXUXBPNHL-SIKLNZKXSA-N 2 0 336.479 3.339 10 0 EGAERP FC1(F)C[C@@]12CC[N@H+](Cc1ccc(OCC[NH+]3CCCC3)cc1)C2 ZINC000652062274 462422310 /nfs/dbraw/zinc/42/23/10/462422310.db2.gz DXAPNYIRMYDMSZ-GOSISDBHSA-N 2 0 336.426 3.392 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652138651 462445808 /nfs/dbraw/zinc/44/58/08/462445808.db2.gz LDINOLQJJQGARB-OAQYLSRUSA-N 2 0 344.547 3.319 10 0 EGAERP OC1CCC(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000658285129 462455855 /nfs/dbraw/zinc/45/58/55/462455855.db2.gz JNMWDGUPRIQBLE-FHOCMUFOSA-N 2 0 328.500 3.323 10 0 EGAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCC[C@@H]2CCOC2)CC1 ZINC000645908322 462464431 /nfs/dbraw/zinc/46/44/31/462464431.db2.gz FZRDNWGEDPBTIM-QGZVFWFLSA-N 2 0 325.456 3.174 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131190301 529148040 /nfs/dbraw/zinc/14/80/40/529148040.db2.gz JSOVPKUPJKJQBO-HLAWJBBLSA-N 2 0 329.532 3.186 10 0 EGAERP CC[NH+](CC)Cc1cccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)c1 ZINC000236936756 535607366 /nfs/dbraw/zinc/60/73/66/535607366.db2.gz LBULNGSCOGPPQW-UFYCRDLUSA-N 2 0 343.515 3.065 10 0 EGAERP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)cc(COC2CCOCC2)c1 ZINC000166580288 546990084 /nfs/dbraw/zinc/99/00/84/546990084.db2.gz KBCJXOVKTKFLBK-WOJBJXKFSA-N 2 0 344.499 3.099 10 0 EGAERP c1cc2cnccc2c(C[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000183363700 547095461 /nfs/dbraw/zinc/09/54/61/547095461.db2.gz OOXTVDIRZLBAEV-UHFFFAOYSA-N 2 0 339.483 3.312 10 0 EGAERP OC[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000245655282 547267266 /nfs/dbraw/zinc/26/72/66/547267266.db2.gz DHONIHFWKCCXJL-CZLMFIFXSA-N 2 0 328.500 3.323 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CN[C@H](C)C[NH+](CC)CC)CC1 ZINC000344219133 547609391 /nfs/dbraw/zinc/60/93/91/547609391.db2.gz MXOJBDHXBUPEIG-LJQANCHMSA-N 2 0 346.563 3.039 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@@H]2CCC[C@H]21 ZINC000671746450 548351308 /nfs/dbraw/zinc/35/13/08/548351308.db2.gz MRQPIXIVFPZOBQ-MXSMSXNCSA-N 2 0 335.442 3.006 10 0 EGAERP CC[C@H](C(=O)N1CC[N@H+](Cc2ccccc2)CC[C@H]1C)[NH+](CC)CC ZINC000673751698 548615286 /nfs/dbraw/zinc/61/52/86/548615286.db2.gz WNTZOOVQNSPSGW-UYAOXDASSA-N 2 0 345.531 3.230 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000675749228 548973568 /nfs/dbraw/zinc/97/35/68/548973568.db2.gz UCCKVCHOZDHFLX-DYQZNNLLSA-N 2 0 343.559 3.465 10 0 EGAERP C[C@@H]([NH2+]CCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000675792992 548982362 /nfs/dbraw/zinc/98/23/62/548982362.db2.gz OYFSGPRAGGVOGT-CYBMUJFWSA-N 2 0 325.294 3.312 10 0 EGAERP OC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccsc1 ZINC000681134816 549958943 /nfs/dbraw/zinc/95/89/43/549958943.db2.gz NKXZBSJJIRRXQN-IBGZPJMESA-N 2 0 346.496 3.046 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(F)(F)CC2)CC1 ZINC000684428271 550329373 /nfs/dbraw/zinc/32/93/73/550329373.db2.gz FSAZKNMUZNHICZ-UHFFFAOYSA-N 2 0 337.458 3.450 10 0 EGAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(Cl)c3Br)C[C@@H]12 ZINC000719432403 1298317684 /nfs/dbraw/zinc/31/76/84/1298317684.db2.gz AJSSHAAGYFRUSY-IRUJWGPZSA-N 2 0 329.669 3.272 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817943 1292735940 /nfs/dbraw/zinc/73/59/40/1292735940.db2.gz LCVOWQJHALCINM-BBRMVZONSA-N 2 0 325.294 3.454 10 0 EGAERP CC(C)C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@H+](Cc3ccccc3)C2)CC1 ZINC000131175837 1293681445 /nfs/dbraw/zinc/68/14/45/1293681445.db2.gz JZHWHJADJMHMPQ-GHTZIAJQSA-N 2 0 329.532 3.359 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000870990456 1296166967 /nfs/dbraw/zinc/16/69/67/1296166967.db2.gz FMBXGZPBHSCDMZ-IBGZPJMESA-N 2 0 325.541 3.112 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@H]2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872109639 1296735464 /nfs/dbraw/zinc/73/54/64/1296735464.db2.gz PIWUTCZZWNCZTO-LWCVALJOSA-N 2 0 332.488 3.235 10 0 EGAERP Cc1nccnc1[C@H](C)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000872132533 1296757666 /nfs/dbraw/zinc/75/76/66/1296757666.db2.gz GEYDIGOIMUYNNL-HOCLYGCPSA-N 2 0 328.460 3.137 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CCC(=O)Nc1ccc(Cl)cc1F ZINC000872154946 1296772036 /nfs/dbraw/zinc/77/20/36/1296772036.db2.gz GOAQPWSAXDFAIX-UHFFFAOYSA-N 2 0 329.847 3.259 10 0 EGAERP Cc1cc(C[NH3+])oc1-c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000872172304 1296794601 /nfs/dbraw/zinc/79/46/01/1296794601.db2.gz CYVIZMGTUKRMAI-UHFFFAOYSA-N 2 0 338.411 3.360 10 0 EGAERP CC(CC[NH2+][C@]12CCC[C@H]1OCC2)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316726 1296912170 /nfs/dbraw/zinc/91/21/70/1296912170.db2.gz SJNQMBLGQJZYPF-ZRNYENFQSA-N 2 0 336.520 3.005 10 0 EGAERP CN(Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000311104571 1297104597 /nfs/dbraw/zinc/10/45/97/1297104597.db2.gz KYWHNOCMWKECSG-JOCHJYFZSA-N 2 0 335.495 3.039 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC2CC[NH+](C)CC2)CCN1C(=O)OC(C)(C)C ZINC000709324749 1298248077 /nfs/dbraw/zinc/24/80/77/1298248077.db2.gz KHYJOADXIOLZJX-WBVHZDCISA-N 2 0 339.524 3.096 10 0 EGAERP CC(C)N(CC[NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000715271739 1298279545 /nfs/dbraw/zinc/27/95/45/1298279545.db2.gz QRBXVPLFBAIARM-UHFFFAOYSA-N 2 0 327.513 3.094 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CCC[N@H+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716658215 1298301013 /nfs/dbraw/zinc/30/10/13/1298301013.db2.gz JENIIHPZGMCSMT-NVXWUHKLSA-N 2 0 339.524 3.096 10 0 EGAERP COCC[N@H+](C)CCC[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894174720 1306261538 /nfs/dbraw/zinc/26/15/38/1306261538.db2.gz XVMASPPHFNQLEE-UHFFFAOYSA-N 2 0 327.881 3.008 10 0 EGAERP Cc1noc2ncc(C[NH2+]CCCC[NH+]3C[C@H](C)C[C@@H](C)C3)cc12 ZINC000894181276 1306265013 /nfs/dbraw/zinc/26/50/13/1306265013.db2.gz QXJLSWZHQREACL-HUUCEWRRSA-N 2 0 330.476 3.379 10 0 EGAERP C[C@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CCN1c1cc[nH+]cc1 ZINC000895558525 1309399953 /nfs/dbraw/zinc/39/99/53/1309399953.db2.gz XIEAIJBYJKRUGR-INIZCTEOSA-N 2 0 333.439 3.182 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CCCCO3)CC2)cc1 ZINC000895659092 1309451980 /nfs/dbraw/zinc/45/19/80/1309451980.db2.gz RXSLIEXWYLLXSD-UHFFFAOYSA-N 2 0 332.488 3.162 10 0 EGAERP C(C[NH+]1CCCC1)OC1CC[NH+](C[C@H]2CCCC3(CCC3)O2)CC1 ZINC000929762400 1328692655 /nfs/dbraw/zinc/69/26/55/1328692655.db2.gz HZTIQPBGFVKOQA-LJQANCHMSA-N 2 0 336.520 3.055 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@@H]3CC4CCC3CC4)CC2)CC1 ZINC000930130665 1328793078 /nfs/dbraw/zinc/79/30/78/1328793078.db2.gz RXDYQUOJQZREEL-MHJFOBGBSA-N 2 0 333.564 3.303 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]C2CC[NH+](C(C)(C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000858588464 1328801997 /nfs/dbraw/zinc/80/19/97/1328801997.db2.gz GQEWYFDVTLQWKO-ZBFHGGJFSA-N 2 0 339.524 3.237 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1NCc1cc(Cl)n(C)n1 ZINC000859249864 1328954432 /nfs/dbraw/zinc/95/44/32/1328954432.db2.gz BDWVCRRPRHOPNW-QWHZDKJVSA-N 2 0 346.906 3.320 10 0 EGAERP CC(C)[C@@H]1[N@H+](C)C[C@@]12C[C@@H](O)[C@H]([NH2+]Cc1cc3ccccc3o1)C2 ZINC000922388031 1322515816 /nfs/dbraw/zinc/51/58/16/1322515816.db2.gz NQFWOTWGGNBOJK-IZBJGVDFSA-N 2 0 328.456 3.002 10 0 EGAERP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)c1C ZINC000922846499 1322631447 /nfs/dbraw/zinc/63/14/47/1322631447.db2.gz LQBCEMGHWUNUPL-UHFFFAOYSA-N 2 0 347.503 3.305 10 0 EGAERP c1cc(C[NH2+]C[C@]2(c3ccccc3)CCCO2)n(-c2cc[nH+]cc2)n1 ZINC000922964310 1322663628 /nfs/dbraw/zinc/66/36/28/1322663628.db2.gz RNMAWSCZLOQTBW-FQEVSTJZSA-N 2 0 334.423 3.063 10 0 EGAERP C[C@H](c1cccc(C(F)(F)F)c1)[N@H+](C)C[C@H]1CC2(C[NH2+]C2)CO1 ZINC000923305226 1322729498 /nfs/dbraw/zinc/72/94/98/1322729498.db2.gz VTGPJCFISTZKPU-IUODEOHRSA-N 2 0 328.378 3.077 10 0 EGAERP CC[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@H]1[NH3+] ZINC000923346265 1322738336 /nfs/dbraw/zinc/73/83/36/1322738336.db2.gz WMAJTMZHTZLHFR-DUFGSWQCSA-N 2 0 342.405 3.228 10 0 EGAERP CCN(CC)C(=O)CCC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923371448 1322742026 /nfs/dbraw/zinc/74/20/26/1322742026.db2.gz SHUHQPSSPWQSMH-IHWFROFDSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1C[N@H+](Cc2csc(CCc3ccccc3)n2)CC[C@H]1C[NH3+] ZINC000923494434 1322761612 /nfs/dbraw/zinc/76/16/12/1322761612.db2.gz MUQKPKBBMMIRPI-WBVHZDCISA-N 2 0 329.513 3.345 10 0 EGAERP Cc1ccc(-c2noc([C@H](C)[N@@H+]3CC[C@H](C[NH3+])[C@H](C)C3)n2)cc1F ZINC000923498108 1322762398 /nfs/dbraw/zinc/76/23/98/1322762398.db2.gz JFYXWLLMOJXJMY-VNHYZAJKSA-N 2 0 332.423 3.162 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@H]1C[NH3+] ZINC000923501698 1322764146 /nfs/dbraw/zinc/76/41/46/1322764146.db2.gz SMCWLSFQXWIOEF-APWZRJJASA-N 2 0 325.456 3.077 10 0 EGAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccccc2-c2ccccc2)CC[C@H]1C[NH3+] ZINC000923504158 1322764594 /nfs/dbraw/zinc/76/45/94/1322764594.db2.gz OWDZGNWNVAQEBW-AEFFLSMTSA-N 2 0 337.467 3.209 10 0 EGAERP Cc1csc(C[C@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000923550556 1322774419 /nfs/dbraw/zinc/77/44/19/1322774419.db2.gz DJKBAOFDKPJNKA-MRXNPFEDSA-N 2 0 327.497 3.162 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C3CC4(C3)CCCC4)cn2)CC1 ZINC000924690663 1323113908 /nfs/dbraw/zinc/11/39/08/1323113908.db2.gz TYONFEHUFYJIRQ-UHFFFAOYSA-N 2 0 328.504 3.036 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cc(O)cc(F)c1 ZINC000924703884 1323123086 /nfs/dbraw/zinc/12/30/86/1323123086.db2.gz HLPPIQKXUFRAMQ-CQSZACIVSA-N 2 0 332.419 3.323 10 0 EGAERP COc1cc([C@@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc2ccccc21 ZINC000924994460 1323238591 /nfs/dbraw/zinc/23/85/91/1323238591.db2.gz ULUDOUFAZLCZCM-IAGOWNOFSA-N 2 0 341.499 3.135 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@@H]2CCN(CC3CC3)C2)cc1 ZINC000925015723 1323245197 /nfs/dbraw/zinc/24/51/97/1323245197.db2.gz KTPLDENFJNMRBO-FGZHOGPDSA-N 2 0 335.495 3.309 10 0 EGAERP Cc1nc(-c2ccccc2)oc1CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931319739 1329092791 /nfs/dbraw/zinc/09/27/91/1329092791.db2.gz YTUUBRKPNOSWSH-BGYRXZFFSA-N 2 0 325.456 3.424 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCOC23CCCCC3)(N2CCCCC2)CC1 ZINC000925155017 1325067655 /nfs/dbraw/zinc/06/76/55/1325067655.db2.gz JNUDJBYNFCTFIS-IBGZPJMESA-N 2 0 349.563 3.018 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CO[C@H]1C ZINC000925224342 1325087006 /nfs/dbraw/zinc/08/70/06/1325087006.db2.gz ZOQYTUZADCFMSZ-WFXMLNOXSA-N 2 0 346.515 3.071 10 0 EGAERP COc1ccccc1N1CC[C@@H]([NH2+]C2CC[NH+](CCC(C)C)CC2)C1 ZINC000925256579 1325100825 /nfs/dbraw/zinc/10/08/25/1325100825.db2.gz LDWMWRPGUGWLLJ-LJQANCHMSA-N 2 0 345.531 3.374 10 0 EGAERP C[C@@H]([NH2+]CC1CCN(c2cc[nH+]cc2)CC1)c1cc(O)cc(F)c1 ZINC000925300139 1325117242 /nfs/dbraw/zinc/11/72/42/1325117242.db2.gz HKPLNRWERMRLAF-CQSZACIVSA-N 2 0 329.419 3.494 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000925486418 1325172538 /nfs/dbraw/zinc/17/25/38/1325172538.db2.gz REUAMASRSUJDAP-RRFJBIMHSA-N 2 0 337.458 3.287 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C1 ZINC000925491541 1325173830 /nfs/dbraw/zinc/17/38/30/1325173830.db2.gz JTKQVDYVDOPJEX-XUVXKRRUSA-N 2 0 329.532 3.047 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)N(C)C)c1 ZINC000925493020 1325175008 /nfs/dbraw/zinc/17/50/08/1325175008.db2.gz JIPMYNWHMPDYTG-HKBOAZHASA-N 2 0 345.531 3.056 10 0 EGAERP C[C@@H]1C[C@@H](N[C@@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000925540166 1325198675 /nfs/dbraw/zinc/19/86/75/1325198675.db2.gz AKYSXEMJIJOQDU-KPACCLEDSA-N 2 0 341.543 3.406 10 0 EGAERP CC1(C)[C@@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925545646 1325201824 /nfs/dbraw/zinc/20/18/24/1325201824.db2.gz ZDATWSGLXTXAME-QYZOEREBSA-N 2 0 328.500 3.101 10 0 EGAERP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)C2)cc1 ZINC000925562612 1325210957 /nfs/dbraw/zinc/21/09/57/1325210957.db2.gz IGCDIHYKUAOQFY-CZAAIQMYSA-N 2 0 345.506 3.410 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1c(F)cccc1Cl ZINC000925582433 1325220928 /nfs/dbraw/zinc/22/09/28/1325220928.db2.gz YTJAUWBRWHXANG-IAOVAPTHSA-N 2 0 340.870 3.270 10 0 EGAERP C(Cc1nc2c(s1)CCCC2)[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925600378 1325228492 /nfs/dbraw/zinc/22/84/92/1325228492.db2.gz VNUSWSZIAFWBPB-JKSUJKDBSA-N 2 0 333.545 3.322 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000925622229 1325235073 /nfs/dbraw/zinc/23/50/73/1325235073.db2.gz MIUXDQPROSAYBT-YZGWKJHDSA-N 3 0 327.516 3.161 10 0 EGAERP C[C@@]1(CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC[N@H+](Cc2ccccc2)C1 ZINC000925654404 1325248332 /nfs/dbraw/zinc/24/83/32/1325248332.db2.gz LSIPWGZPQISGMU-DYXWJJEUSA-N 2 0 329.532 3.394 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C1 ZINC000925703099 1325264183 /nfs/dbraw/zinc/26/41/83/1325264183.db2.gz CAZDSOXDOLBNQF-JCHJZTRSSA-N 2 0 333.495 3.014 10 0 EGAERP COc1cccc([C@H](C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)OC)c1 ZINC000925721709 1325270013 /nfs/dbraw/zinc/27/00/13/1325270013.db2.gz QCJZHQABAKJHAF-AABGKKOBSA-N 2 0 332.488 3.141 10 0 EGAERP CC1(C)CO[C@H](CC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C1 ZINC000925773540 1325294016 /nfs/dbraw/zinc/29/40/16/1325294016.db2.gz CVMDUOPVKNEWID-WRWLIDTKSA-N 2 0 330.472 3.037 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@H]1C[NH2+]CCC1(F)F)c1ccc2[nH]c(=O)oc2c1 ZINC000925787047 1325302055 /nfs/dbraw/zinc/30/20/55/1325302055.db2.gz YTXIAQOTUAAULF-IUODEOHRSA-N 2 0 339.386 3.065 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806861 1325308803 /nfs/dbraw/zinc/30/88/03/1325308803.db2.gz BSAWTYNOHFWVBJ-VGOFRKELSA-N 2 0 335.495 3.115 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc(C(F)(F)F)cc1 ZINC000925845212 1325326466 /nfs/dbraw/zinc/32/64/66/1325326466.db2.gz NKHMGPJSPDKFDE-HNNXBMFYSA-N 2 0 343.437 3.432 10 0 EGAERP CCSc1ccccc1[C@H](C)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850044 1325329080 /nfs/dbraw/zinc/32/90/80/1325329080.db2.gz GTDPABUKEFPTOZ-GJZGRUSLSA-N 2 0 348.512 3.135 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925853021 1325330884 /nfs/dbraw/zinc/33/08/84/1325330884.db2.gz JECPIFLWVDHAOF-QAPCUYQASA-N 2 0 330.472 3.146 10 0 EGAERP C[C@@H]([NH3+])C[C@H](C)[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874204 1325338118 /nfs/dbraw/zinc/33/81/18/1325338118.db2.gz PICZPNUFJZSLDI-OLZOCXBDSA-N 2 0 344.409 3.495 10 0 EGAERP COc1ncc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)cc1Cl ZINC000925881378 1325340368 /nfs/dbraw/zinc/34/03/68/1325340368.db2.gz JCRMWONWVFUGDI-IYJAJMOOSA-N 2 0 345.874 3.453 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1ccc2c(c1)CCC(=O)N2 ZINC000925888947 1325345473 /nfs/dbraw/zinc/34/54/73/1325345473.db2.gz WWOMVWVHGMYNBV-YOMUGFJLSA-N 2 0 349.478 3.281 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC2(C[NH+](C)C)CCCC2)n(C)n1 ZINC000926168996 1325455340 /nfs/dbraw/zinc/45/53/40/1325455340.db2.gz CDIXJSXZTMDGLR-MJGOQNOKSA-N 2 0 332.536 3.151 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cc(O)cc(F)c1 ZINC000926691511 1327669177 /nfs/dbraw/zinc/66/91/77/1327669177.db2.gz BRFHCGMYYKBWRB-OAHLLOKOSA-N 2 0 343.446 3.489 10 0 EGAERP COc1cc(C[C@H](C)[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)ccn1 ZINC000926890564 1327760160 /nfs/dbraw/zinc/76/01/60/1327760160.db2.gz VFVXPKPPPLGRCK-VQSBYGRUSA-N 2 0 331.504 3.408 10 0 EGAERP Cc1nc(F)ccc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865773605 1329736833 /nfs/dbraw/zinc/73/68/33/1329736833.db2.gz FDINESUKNPBFEI-UHFFFAOYSA-N 2 0 327.447 3.282 10 0 EGAERP CC(C)n1cncc1C[NH2+]CC1(c2ccccc2)CC[NH+](C)CC1 ZINC000865775328 1329737147 /nfs/dbraw/zinc/73/71/47/1329737147.db2.gz VCBOCMHVUPGZCW-UHFFFAOYSA-N 2 0 326.488 3.217 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H](C2CCC2)[C@H]2CCCO2)c1 ZINC000866238284 1330083473 /nfs/dbraw/zinc/08/34/73/1330083473.db2.gz ONIXLAXJQYVTFS-UXHICEINSA-N 2 0 332.488 3.064 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H](C3CCC3)[C@@H]3CCCO3)CC2)cc[nH+]1 ZINC000866289737 1330091380 /nfs/dbraw/zinc/09/13/80/1330091380.db2.gz JGVJXWLUNWWEJT-PMACEKPBSA-N 2 0 329.488 3.235 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[C@H]1C1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866537497 1330123620 /nfs/dbraw/zinc/12/36/20/1330123620.db2.gz FNBIYCRDRKBNFR-PBEJRMEISA-N 2 0 346.515 3.340 10 0 EGAERP C(NC1CC[NH+](C[C@H]2CCCO2)CC1)[C@@H]1CC[N@@H+]1C1CCCCCC1 ZINC000866562445 1330126955 /nfs/dbraw/zinc/12/69/55/1330126955.db2.gz SFMFJPVDXVRTTM-LEWJYISDSA-N 2 0 349.563 3.017 10 0 EGAERP COc1ccc([C@@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cncc(C)c2)cc1 ZINC000866719709 1330144654 /nfs/dbraw/zinc/14/46/54/1330144654.db2.gz BWXXHSLNUAMZDD-ICSRJNTNSA-N 2 0 325.456 3.278 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@H]3CCC[C@@H]4CCC[N@@H+]43)n2)cc1 ZINC000952881273 1334587164 /nfs/dbraw/zinc/58/71/64/1334587164.db2.gz GEIFRHPASFCPBF-IAGOWNOFSA-N 2 0 326.444 3.488 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640091 1387415216 /nfs/dbraw/zinc/41/52/16/1387415216.db2.gz BSOKRJYFSXBQAO-WOJBJXKFSA-N 2 0 349.563 3.388 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CCC[NH+]1CCCC1 ZINC001323668701 1387421046 /nfs/dbraw/zinc/42/10/46/1387421046.db2.gz AZWZYYHVMZJIEY-YQQQUEKLSA-N 2 0 335.536 3.164 10 0 EGAERP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C(C)C ZINC001323671072 1387421402 /nfs/dbraw/zinc/42/14/02/1387421402.db2.gz YOTCAQSLCBSFBW-FUVPAVLMSA-N 2 0 335.536 3.185 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001324099384 1387542016 /nfs/dbraw/zinc/54/20/16/1387542016.db2.gz VUYWTFBBDCLVCM-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]CC1CCC(C)(C)CC1 ZINC001481882485 1394575974 /nfs/dbraw/zinc/57/59/74/1394575974.db2.gz RRFYWBHCNSDFCY-QGZVFWFLSA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@H](C(=O)NC1(C)CC[NH+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001324324182 1387591964 /nfs/dbraw/zinc/59/19/64/1387591964.db2.gz WEHPZGCXUVBHPC-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1 ZINC001324518500 1387658895 /nfs/dbraw/zinc/65/88/95/1387658895.db2.gz VMAXVDJULDKDLX-IBGZPJMESA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001324555670 1387670210 /nfs/dbraw/zinc/67/02/10/1387670210.db2.gz BJGJXMZYVSRBRL-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001324751061 1387759977 /nfs/dbraw/zinc/75/99/77/1387759977.db2.gz KGUHYVCPIRBNDY-FQEVSTJZSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001324797710 1387775681 /nfs/dbraw/zinc/77/56/81/1387775681.db2.gz KJPDXLLYVQWCMH-ICSRJNTNSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CCN1CC[NH+](Cc2ccccc2)CC1)[C@H]1CCc2ccccc21 ZINC001194252144 1368217563 /nfs/dbraw/zinc/21/75/63/1368217563.db2.gz UYIQGSYDDZIRCD-QHCPKHFHSA-N 2 0 349.522 3.424 10 0 EGAERP c1nc([C@H]2CCCO2)sc1C[NH2+]CCCCNc1ccccn1 ZINC001200076357 1369313029 /nfs/dbraw/zinc/31/30/29/1369313029.db2.gz HVFADPITWQFYJH-OAHLLOKOSA-N 2 0 332.473 3.372 10 0 EGAERP CC[NH2+]C[C@H]1CC[C@H](CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CC1 ZINC001325661846 1388024506 /nfs/dbraw/zinc/02/45/06/1388024506.db2.gz IOLORZIYISRTRY-QAQDUYKDSA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001326585087 1388248906 /nfs/dbraw/zinc/24/89/06/1388248906.db2.gz BPERFPIAGKDVAN-VOTSOKGWSA-N 2 0 347.547 3.142 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\c1ccccc1 ZINC001326760344 1388301660 /nfs/dbraw/zinc/30/16/60/1388301660.db2.gz QIOGZSNSDIORJU-FNUUXAGOSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001326760633 1388302076 /nfs/dbraw/zinc/30/20/76/1388302076.db2.gz ZZBJZTUQWPUCIU-HXUWFJFHSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001327157810 1388413362 /nfs/dbraw/zinc/41/33/62/1388413362.db2.gz VCNVLDFELBZECV-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001327164249 1388417318 /nfs/dbraw/zinc/41/73/18/1388417318.db2.gz SOXLYVMVNNUCBA-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCC1CCCC1 ZINC001265792970 1377166082 /nfs/dbraw/zinc/16/60/82/1377166082.db2.gz YVOXLNGIRNBRGH-INIZCTEOSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001266119894 1377196145 /nfs/dbraw/zinc/19/61/45/1377196145.db2.gz OPHZPQXTDNHVCX-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCCNC(=O)C[NH+]1CC[C@H](C)C1)C1CC1 ZINC001266159432 1377211172 /nfs/dbraw/zinc/21/11/72/1377211172.db2.gz PWMSTADGYUMHHA-ZWKOTPCHSA-N 2 0 343.515 3.060 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001266373430 1377298608 /nfs/dbraw/zinc/29/86/08/1377298608.db2.gz CXOLKAUFFCIAON-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266468145 1377314218 /nfs/dbraw/zinc/31/42/18/1377314218.db2.gz KMZIYLLHWIBDTB-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@@H]2CCC[N@H+](CC3CC3)C2)C1 ZINC001327299940 1388491805 /nfs/dbraw/zinc/49/18/05/1388491805.db2.gz RDSJKKVNVXNQFR-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001266734958 1377369950 /nfs/dbraw/zinc/36/99/50/1377369950.db2.gz DMRNJWVVYSZHDA-HSALFYBXSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001266848964 1377393257 /nfs/dbraw/zinc/39/32/57/1377393257.db2.gz JHDPWZPSIPYZER-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCC[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)CC(C)(C)C ZINC001266856210 1377397050 /nfs/dbraw/zinc/39/70/50/1377397050.db2.gz LNYUPAGBTKFGSP-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001266971955 1377406231 /nfs/dbraw/zinc/40/62/31/1377406231.db2.gz RSGWSJJHLDYHKS-INIZCTEOSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267089866 1377411757 /nfs/dbraw/zinc/41/17/57/1377411757.db2.gz GGMAJPWJPWOCMM-XSXCZSQGSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC2CCC([NH+]3CCCCC3)CC2)C1 ZINC001137165155 1377489283 /nfs/dbraw/zinc/48/92/83/1377489283.db2.gz YXIHRGYINXIGFX-VIQWUECVSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001268212658 1377495735 /nfs/dbraw/zinc/49/57/35/1377495735.db2.gz MKGNVWZABZPSKI-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001268271714 1377504724 /nfs/dbraw/zinc/50/47/24/1377504724.db2.gz SRCBAISGBWKSKT-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC(C)CC1)NC(=O)CCC[NH+]1CCCC1 ZINC001268761171 1377526937 /nfs/dbraw/zinc/52/69/37/1377526937.db2.gz ZXLSZSZFGDASIE-XBMUEBEBSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001271758779 1377649180 /nfs/dbraw/zinc/64/91/80/1377649180.db2.gz GTWKWTXGAYDFEP-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001271758776 1377649784 /nfs/dbraw/zinc/64/97/84/1377649784.db2.gz GTWKWTXGAYDFEP-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cccc(C[N@@H+](C)CCN(C)C(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c1 ZINC001272152602 1377658997 /nfs/dbraw/zinc/65/89/97/1377658997.db2.gz YVOBOABMXUQNON-PMACEKPBSA-N 2 0 345.531 3.006 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C/C=C\CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001274414206 1378124363 /nfs/dbraw/zinc/12/43/63/1378124363.db2.gz RLHNMRVKKWWNCQ-IFEVLTCRSA-N 2 0 349.563 3.197 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001327493626 1388535662 /nfs/dbraw/zinc/53/56/62/1388535662.db2.gz RRPPYXMCICKLMO-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CCC3=CCCCC3)CC2)CCC1 ZINC001279574377 1378312769 /nfs/dbraw/zinc/31/27/69/1378312769.db2.gz TXVHLCNUNFNGCA-UHFFFAOYSA-N 2 0 345.531 3.110 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCCNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001141746113 1378370576 /nfs/dbraw/zinc/37/05/76/1378370576.db2.gz JMIGCXUMODPQFQ-GOSISDBHSA-N 2 0 345.531 3.175 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001282269714 1378493567 /nfs/dbraw/zinc/49/35/67/1378493567.db2.gz FWQSAWGTWOIEDC-UHFFFAOYSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001327539874 1388555638 /nfs/dbraw/zinc/55/56/38/1388555638.db2.gz FDDNCPBVBRTFHR-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001282663183 1378532198 /nfs/dbraw/zinc/53/21/98/1378532198.db2.gz AABGJTCWNNIJCK-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001282677011 1378546890 /nfs/dbraw/zinc/54/68/90/1378546890.db2.gz XBUOYJOFSBMQJJ-SGSXCFNPSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC001282677632 1378548155 /nfs/dbraw/zinc/54/81/55/1378548155.db2.gz CYNQOPDPUISNMH-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001282813363 1378624165 /nfs/dbraw/zinc/62/41/65/1378624165.db2.gz WIISGDZNVCAVPU-ZSQQTYLHSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001282830546 1378631987 /nfs/dbraw/zinc/63/19/87/1378631987.db2.gz BIYLARBJDMQCRL-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3=CCCCC3)C[C@H]2C1 ZINC001282957056 1378684239 /nfs/dbraw/zinc/68/42/39/1378684239.db2.gz CZHLURIHEFLSLA-VAMGGRTRSA-N 2 0 347.547 3.044 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001283051555 1378717419 /nfs/dbraw/zinc/71/74/19/1378717419.db2.gz PIOLWYDDXXESKM-FCGDIQPGSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001283172831 1378752795 /nfs/dbraw/zinc/75/27/95/1378752795.db2.gz FVIBTLYSZMZSDN-APWZRJJASA-N 2 0 349.494 3.073 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)CCC[NH2+]CC2CC(C)C2)ccc2c[nH+]cn21 ZINC001283205571 1378760166 /nfs/dbraw/zinc/76/01/66/1378760166.db2.gz ZDCHCGKMFKQQQV-CKDBGZEDSA-N 2 0 342.487 3.177 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c(C)c1 ZINC001283259080 1378773916 /nfs/dbraw/zinc/77/39/16/1378773916.db2.gz FFGSCHRQJFGRRM-MOPGFXCFSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]1C ZINC001283938785 1379288690 /nfs/dbraw/zinc/28/86/90/1379288690.db2.gz JXQSKCVVFQWOGK-YLJYHZDGSA-N 2 0 345.531 3.229 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1[NH2+]CCCC(C)(C)C ZINC001327902336 1388619754 /nfs/dbraw/zinc/61/97/54/1388619754.db2.gz LQZKEBZRDASSPM-DLBZAZTESA-N 2 0 339.568 3.227 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001284331882 1379727518 /nfs/dbraw/zinc/72/75/18/1379727518.db2.gz LCGZSXPBRBDSFX-YZPMEYCISA-N 2 0 349.563 3.432 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1(C)C ZINC001284331879 1379727535 /nfs/dbraw/zinc/72/75/35/1379727535.db2.gz LCGZSXPBRBDSFX-AWTIPJNISA-N 2 0 349.563 3.432 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001284334789 1379729797 /nfs/dbraw/zinc/72/97/97/1379729797.db2.gz HFJPQYIAJMQDBL-PKOBYXMFSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC[C@@H]3CC[NH+]3C3CCCCCC3)C[N@@H+]2C1 ZINC001152053387 1379852600 /nfs/dbraw/zinc/85/26/00/1379852600.db2.gz RHFNQRJOVUYZKJ-JYBIWHBTSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)C[N@H+](C)CCN(C(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)C(C)C ZINC001284545559 1379954390 /nfs/dbraw/zinc/95/43/90/1379954390.db2.gz WINDHKRQEADCSO-IBGZPJMESA-N 2 0 343.531 3.024 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001284633436 1380037610 /nfs/dbraw/zinc/03/76/10/1380037610.db2.gz XOOHUOMMCQPXBG-SJLPKXTDSA-N 2 0 337.552 3.029 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(C)(C)C ZINC001284643499 1380050858 /nfs/dbraw/zinc/05/08/58/1380050858.db2.gz UGDGNLQCVVGFOM-MOPGFXCFSA-N 2 0 347.547 3.210 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C[C@H]1C ZINC001328254020 1388699390 /nfs/dbraw/zinc/69/93/90/1388699390.db2.gz DEOZOGUCDITHDL-JKCVZHOFSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001328352222 1388728510 /nfs/dbraw/zinc/72/85/10/1388728510.db2.gz PKNJUCGDZQFBTJ-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[N@@H+](CC)[C@@H](C)C2)cc1 ZINC001163884828 1383133082 /nfs/dbraw/zinc/13/30/82/1383133082.db2.gz LHSVPIUJNKKJJE-CALCHBBNSA-N 2 0 331.504 3.083 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001167393479 1383620969 /nfs/dbraw/zinc/62/09/69/1383620969.db2.gz TZDOXQWCHODJNE-IRXDYDNUSA-N 2 0 347.503 3.210 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001328808633 1388874896 /nfs/dbraw/zinc/87/48/96/1388874896.db2.gz PTZVCEKXXHGJFL-KPDZFXRVSA-N 2 0 349.563 3.245 10 0 EGAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCCc2cccnc2)CC1 ZINC001170128864 1384242566 /nfs/dbraw/zinc/24/25/66/1384242566.db2.gz UHEWFXLINBXYBP-UHFFFAOYSA-N 2 0 332.451 3.385 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@@H]2CN(C)C(=O)CCC[NH+]2CCCC2)CC1 ZINC001316609993 1384480060 /nfs/dbraw/zinc/48/00/60/1384480060.db2.gz GQFLPXDHQBGSPE-SOAGJPPSSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CC(C[NH2+][C@H]2C[C@H](CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001316633112 1384495892 /nfs/dbraw/zinc/49/58/92/1384495892.db2.gz VEUGXADEDUTMNC-VNGAXPGBSA-N 2 0 349.563 3.170 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001316668660 1384513101 /nfs/dbraw/zinc/51/31/01/1384513101.db2.gz JUPLDZCKDMHBGS-QZTJIDSGSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[NH+]1CCC2(C[C@@H](C)N(C(=O)CCCC[NH+]3CCCC3)C2)CC1 ZINC001316669743 1384513937 /nfs/dbraw/zinc/51/39/37/1384513937.db2.gz QQTICIUVEDXXBU-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001316671558 1384514562 /nfs/dbraw/zinc/51/45/62/1384514562.db2.gz SXDRNBMGNQNXFK-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC(C)(C)C)[C@@H]1C)[NH+](CC)CC ZINC001316792822 1384585925 /nfs/dbraw/zinc/58/59/25/1384585925.db2.gz MQMCWGPYVPLKGU-IXDOHACOSA-N 2 0 325.541 3.122 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001316828078 1384621567 /nfs/dbraw/zinc/62/15/67/1384621567.db2.gz ITDADKRZVGHPPB-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877687 1384662165 /nfs/dbraw/zinc/66/21/65/1384662165.db2.gz FYMVUDRUMOELAE-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CCC[N@H+](CCCNC(=O)[C@H]1C[NH+]2CCC1CC2)C1CC1 ZINC001316914547 1384685602 /nfs/dbraw/zinc/68/56/02/1384685602.db2.gz HVPUNIHLRYVHHY-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[NH+](CC2CCC(C)CC2)C2CC2)CC[N@@H+]1C ZINC001316916639 1384687727 /nfs/dbraw/zinc/68/77/27/1384687727.db2.gz MPWQZWOXLWWDPK-CBJHCWRLSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](CC1CCCC1)C1CC1 ZINC001316926416 1384696767 /nfs/dbraw/zinc/69/67/67/1384696767.db2.gz AHOIPFZOHWZDAH-CALCHBBNSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)(C)C)CC2 ZINC001316999235 1384756506 /nfs/dbraw/zinc/75/65/06/1384756506.db2.gz UPJMRCRZKZVWOE-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CCC(CC)C[NH+]1CCC2(C[C@H]2NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001316999025 1384756590 /nfs/dbraw/zinc/75/65/90/1384756590.db2.gz SRIDBAIDXJTKGW-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)C[N@@H+]1CC[C@@H](C)C1)C1CC[NH+](C[C@H](C)CC)CC1 ZINC001317005283 1384766307 /nfs/dbraw/zinc/76/63/07/1384766307.db2.gz GYHHKHNRVXSSPE-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317100624 1384863884 /nfs/dbraw/zinc/86/38/84/1384863884.db2.gz VGYRQZREBQEWBF-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3=CCCCC3)CC[C@@H]21 ZINC001317100898 1384864471 /nfs/dbraw/zinc/86/44/71/1384864471.db2.gz ZAIGIWJDBBQRKA-PMACEKPBSA-N 2 0 347.547 3.140 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001317111391 1384873465 /nfs/dbraw/zinc/87/34/65/1384873465.db2.gz BKMOHAUIOKTOJC-OTWHNJEPSA-N 2 0 349.563 3.314 10 0 EGAERP CCC(CC)C[N@@H+]1CCCC[C@H]1CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001317173567 1384943315 /nfs/dbraw/zinc/94/33/15/1384943315.db2.gz OKSULHOWASEYEK-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCC2=CCCCC2)C1 ZINC001317175467 1384947736 /nfs/dbraw/zinc/94/77/36/1384947736.db2.gz CGNMRBZYIJBUPW-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCCC[NH+]1CC1CC2(CCC2)C1 ZINC001317182036 1384957953 /nfs/dbraw/zinc/95/79/53/1384957953.db2.gz ZBMAMVDELLAGHF-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001317183225 1384958359 /nfs/dbraw/zinc/95/83/59/1384958359.db2.gz NIKRRERGGXWDOZ-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@@H]1C[NH2+]C/C=C\c1ccccc1)[NH+](C)C ZINC001317192996 1384967062 /nfs/dbraw/zinc/96/70/62/1384967062.db2.gz RDMKXEWJABJMHE-JHRJRCTKSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[C@@H](C(=O)NC1CCC([NH2+]CC2CCC2)CC1)[NH+]1CCCCC1 ZINC001317221451 1385002116 /nfs/dbraw/zinc/00/21/16/1385002116.db2.gz KTMCUMSRAFPVLV-MHJFOBGBSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001317362699 1385104981 /nfs/dbraw/zinc/10/49/81/1385104981.db2.gz HBFXFDAXJHNBKE-SJORKVTESA-N 2 0 325.541 3.172 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001317401103 1385116095 /nfs/dbraw/zinc/11/60/95/1385116095.db2.gz OMGYORRLZICHCG-QFBILLFUSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001317403762 1385117427 /nfs/dbraw/zinc/11/74/27/1385117427.db2.gz DZLWEGWOYOGISX-QYZOEREBSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001317415168 1385125286 /nfs/dbraw/zinc/12/52/86/1385125286.db2.gz IUZAYQSGMUZRCQ-LSDHHAIUSA-N 2 0 339.911 3.226 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccccc1 ZINC001317429072 1385134173 /nfs/dbraw/zinc/13/41/73/1385134173.db2.gz FUEBXJVQSFXAEB-UXHICEINSA-N 2 0 343.515 3.032 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)Cc1ccc(C)cc1 ZINC001317492708 1385193948 /nfs/dbraw/zinc/19/39/48/1385193948.db2.gz PNNVFGFHCYUXHF-HXUWFJFHSA-N 2 0 345.531 3.054 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001317504708 1385210156 /nfs/dbraw/zinc/21/01/56/1385210156.db2.gz IGQCSNNJFUNALG-KAGICYHLSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CC1CCCC1 ZINC001317544921 1385290472 /nfs/dbraw/zinc/29/04/72/1385290472.db2.gz UUXRCNNPBDFHNG-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@H+](CC1CC[NH+](C)CC1)C[C@@H]1COc2ccccc2O1 ZINC001175601902 1385345637 /nfs/dbraw/zinc/34/56/37/1385345637.db2.gz XYEDVFLRRFEFQZ-GOSISDBHSA-N 2 0 332.488 3.126 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001317672821 1385379136 /nfs/dbraw/zinc/37/91/36/1385379136.db2.gz VJMZOEOBCLRIAC-MJGOQNOKSA-N 2 0 335.536 3.042 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C[N@H+](C)CC2=CCCCC2)C1)[NH+](CC)CC ZINC001317855863 1385540163 /nfs/dbraw/zinc/54/01/63/1385540163.db2.gz ZADLGRAPJKPEFH-PMACEKPBSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(C[NH+](C)C[C@H](C)CC)CC1 ZINC001317869644 1385551712 /nfs/dbraw/zinc/55/17/12/1385551712.db2.gz FRXRVHZWUSWHDE-MJGOQNOKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001317955057 1385585627 /nfs/dbraw/zinc/58/56/27/1385585627.db2.gz CNTNPZGRBZMZLF-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001318524806 1385734549 /nfs/dbraw/zinc/73/45/49/1385734549.db2.gz PSYQFUJHRYRWCL-UXHICEINSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001318531573 1385740130 /nfs/dbraw/zinc/74/01/30/1385740130.db2.gz VDSOLMDLPAVBCY-ZWKOTPCHSA-N 2 0 345.531 3.333 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+](C)C)[NH2+]CC1CCC2(CC2)CC1 ZINC001318570586 1385763442 /nfs/dbraw/zinc/76/34/42/1385763442.db2.gz PMOZGGCGBIQCOZ-ZWKOTPCHSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH2+]C[C@@H](C)CC)CC1 ZINC001318895772 1385872738 /nfs/dbraw/zinc/87/27/38/1385872738.db2.gz JEMVIKOYOFRDDU-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCC(C)(C)C ZINC001698619635 1406255879 /nfs/dbraw/zinc/25/58/79/1406255879.db2.gz XQIXEIPCGQNUAN-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCCCCF)CC1 ZINC001318982843 1385908459 /nfs/dbraw/zinc/90/84/59/1385908459.db2.gz BOQKKGXIMUQWPW-BRSBDYLESA-N 2 0 341.515 3.016 10 0 EGAERP CCCCCC[NH+]1CCC(CCNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001319020506 1385930824 /nfs/dbraw/zinc/93/08/24/1385930824.db2.gz FBIFJTGKMIIJRN-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+][C@@H](C)c1ccc2c(c1)CCC2 ZINC001698621573 1406259822 /nfs/dbraw/zinc/25/98/22/1406259822.db2.gz WSZMXARQXMCHLT-JXFKEZNVSA-N 2 0 345.531 3.061 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001319078524 1385954325 /nfs/dbraw/zinc/95/43/25/1385954325.db2.gz PQFZHPUAFYFMCP-MOPGFXCFSA-N 2 0 335.536 3.164 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC2(CC[NH+](CC3CC(C)(C)C3)C2)CC1 ZINC001319145098 1385978227 /nfs/dbraw/zinc/97/82/27/1385978227.db2.gz OEHWPBDGWIWKIC-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001319150780 1385981855 /nfs/dbraw/zinc/98/18/55/1385981855.db2.gz VBNCSAHHWATXFR-BQYQJAHWSA-N 2 0 349.563 3.388 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001319361215 1386078809 /nfs/dbraw/zinc/07/88/09/1386078809.db2.gz GNRVJUOTHDYFHF-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001319372368 1386085933 /nfs/dbraw/zinc/08/59/33/1386085933.db2.gz IQLDVIDUXKNXSB-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001319377973 1386091547 /nfs/dbraw/zinc/09/15/47/1386091547.db2.gz RRYHDMRYVOYGAG-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001319526200 1386161661 /nfs/dbraw/zinc/16/16/61/1386161661.db2.gz VVVZTMBAWVQFKY-DLBZAZTESA-N 2 0 347.547 3.433 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319618939 1386212242 /nfs/dbraw/zinc/21/22/42/1386212242.db2.gz HOKOFJHCRYQOAV-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001319865089 1386343901 /nfs/dbraw/zinc/34/39/01/1386343901.db2.gz QWYYCCLPTMXXQK-UYAOXDASSA-N 2 0 349.563 3.290 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001320048647 1386474635 /nfs/dbraw/zinc/47/46/35/1386474635.db2.gz UAKFZLSGHRWAIK-HKUYNNGSSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001320048649 1386474849 /nfs/dbraw/zinc/47/48/49/1386474849.db2.gz UAKFZLSGHRWAIK-MJGOQNOKSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)c1ccc2c[nH+]cn2c1C ZINC001320149093 1386536255 /nfs/dbraw/zinc/53/62/55/1386536255.db2.gz WJBXEWODEFJURO-QFBILLFUSA-N 2 0 342.487 3.321 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)(C)CC1)C(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001320902714 1386753481 /nfs/dbraw/zinc/75/34/81/1386753481.db2.gz LWRIHXSZLDTJQT-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C/C=C\CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001321188947 1386835686 /nfs/dbraw/zinc/83/56/86/1386835686.db2.gz KQGGKUPDLNKWSW-DEEXUGAQSA-N 2 0 343.515 3.227 10 0 EGAERP COc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@@H]43)CC2)c1 ZINC001321903159 1387006623 /nfs/dbraw/zinc/00/66/23/1387006623.db2.gz FYFLHTPNACNSRX-NJDAHSKKSA-N 2 0 343.515 3.126 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC[NH2+]CC2=CCCCC2)CC1 ZINC001698695455 1406339538 /nfs/dbraw/zinc/33/95/38/1406339538.db2.gz YPQBNOUQXUUSPP-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001322183256 1387092963 /nfs/dbraw/zinc/09/29/63/1387092963.db2.gz OIHLMIQNUMRUSU-OXJNMPFZSA-N 2 0 341.499 3.117 10 0 EGAERP CN(CCC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001322732336 1387231991 /nfs/dbraw/zinc/23/19/91/1387231991.db2.gz ZXLBLXCYVCMFIQ-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001322852269 1387246826 /nfs/dbraw/zinc/24/68/26/1387246826.db2.gz LZVAKWDUZWHVIH-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001322852433 1387246909 /nfs/dbraw/zinc/24/69/09/1387246909.db2.gz OLQSMQMASDTJJD-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@H](C)[NH2+]CC2CCCCC2)CC1 ZINC001329171092 1389001533 /nfs/dbraw/zinc/00/15/33/1389001533.db2.gz WQOJCTHDXWRZMT-DLBZAZTESA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)CC1 ZINC001329846198 1389235821 /nfs/dbraw/zinc/23/58/21/1389235821.db2.gz QBBUOFSYVNWDQA-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001329937261 1389266563 /nfs/dbraw/zinc/26/65/63/1389266563.db2.gz NQEYWBVRQZMPIB-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CCC1CCCC1)[NH+](C)C ZINC001329938987 1389268206 /nfs/dbraw/zinc/26/82/06/1389268206.db2.gz SHYWDSLUIUYVJB-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001698725668 1406375267 /nfs/dbraw/zinc/37/52/67/1406375267.db2.gz NKFAPLXIUSVSJS-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@@H]2C1 ZINC001330467648 1389422002 /nfs/dbraw/zinc/42/20/02/1389422002.db2.gz NPFOAHTYRBYLBO-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001330474127 1389425267 /nfs/dbraw/zinc/42/52/67/1389425267.db2.gz CUHXWCYHUYNZIZ-XUVXKRRUSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001330512621 1389439122 /nfs/dbraw/zinc/43/91/22/1389439122.db2.gz YQTHXMNHSVDIJB-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001698727207 1406378208 /nfs/dbraw/zinc/37/82/08/1406378208.db2.gz WWAADOOYOSXQMY-UHFFFAOYSA-N 2 0 345.531 3.054 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001331068543 1389618067 /nfs/dbraw/zinc/61/80/67/1389618067.db2.gz LAZVNHVBZAQTTR-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001331069534 1389619078 /nfs/dbraw/zinc/61/90/78/1389619078.db2.gz YDQWDPVGAPLLOJ-KRWDZBQOSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001698740035 1406390892 /nfs/dbraw/zinc/39/08/92/1406390892.db2.gz WKPMJSQEKWIXTQ-BQYQJAHWSA-N 2 0 349.563 3.389 10 0 EGAERP CC1CC[NH+](CC(=O)N(C)[C@@H](C[NH2+]CCC2CCCC2)C2CC2)CC1 ZINC001331340421 1389709173 /nfs/dbraw/zinc/70/91/73/1389709173.db2.gz SGOXALKWIZAQBW-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001331344822 1389711183 /nfs/dbraw/zinc/71/11/83/1389711183.db2.gz CTYFMZDZSMUVPJ-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001331440191 1389749583 /nfs/dbraw/zinc/74/95/83/1389749583.db2.gz RDLVJECLSMPCEZ-MJGOQNOKSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750474 1406401790 /nfs/dbraw/zinc/40/17/90/1406401790.db2.gz YFNBHQDGMCDBHG-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001331536037 1389788811 /nfs/dbraw/zinc/78/88/11/1389788811.db2.gz ZHJOQPRXLUUOEP-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1 ZINC001698753776 1406404819 /nfs/dbraw/zinc/40/48/19/1406404819.db2.gz SNIISGIDJWZPEX-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001332207656 1390044079 /nfs/dbraw/zinc/04/40/79/1390044079.db2.gz RYDRNQJCCUXZES-GGVAOPBYSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001332215367 1390047552 /nfs/dbraw/zinc/04/75/52/1390047552.db2.gz AOHRQDHHBKFUNH-HKVCONOFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001332428431 1390114794 /nfs/dbraw/zinc/11/47/94/1390114794.db2.gz OZYZNUKZFJYARX-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[NH2+][C@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC1(C)C ZINC001332442300 1390119407 /nfs/dbraw/zinc/11/94/07/1390119407.db2.gz IJGAIFAJWXPUNC-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)(C)C ZINC001332806109 1390191006 /nfs/dbraw/zinc/19/10/06/1390191006.db2.gz FPOBLWFXEWFOKG-SJLPKXTDSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]Cc1ccccc1C1CC1)C(C)(C)C ZINC001332859268 1390202894 /nfs/dbraw/zinc/20/28/94/1390202894.db2.gz WOTOEXNQUVZXCS-IBGZPJMESA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1CC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001333102277 1390249099 /nfs/dbraw/zinc/24/90/99/1390249099.db2.gz AKFHGMWMSVBMOV-WWDZGPRUSA-N 2 0 337.552 3.122 10 0 EGAERP CCC(CC)C[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001333418191 1390299813 /nfs/dbraw/zinc/29/98/13/1390299813.db2.gz WCYFMFVFESQCJF-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP FC1(F)[C@@H]2CC[C@H]([NH2+][C@@H]3C[C@@]4(CC[NH2+]C4)Oc4ccccc43)C[C@@H]21 ZINC001333765858 1390396479 /nfs/dbraw/zinc/39/64/79/1390396479.db2.gz BDIOKRUWOWASMZ-RFUJCOMKSA-N 2 0 334.410 3.266 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CCCC1 ZINC001698797646 1406468345 /nfs/dbraw/zinc/46/83/45/1406468345.db2.gz JXKIURSAPWTSSS-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC2(CC1)CC[NH+](C)CC2 ZINC001348765418 1391263551 /nfs/dbraw/zinc/26/35/51/1391263551.db2.gz GCXBVTCDCUXPLN-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CC(C)=CC[NH+]1CC2(C1)CCN(C(=O)CCC[NH+]1CCCCC1)CC2 ZINC001698811658 1406498639 /nfs/dbraw/zinc/49/86/39/1406498639.db2.gz QHXOKIQAKKVURZ-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698829863 1406523552 /nfs/dbraw/zinc/52/35/52/1406523552.db2.gz VCCYBTJSPMCQDM-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001479338572 1392219412 /nfs/dbraw/zinc/21/94/12/1392219412.db2.gz YHUCTRHUPDPENR-HAGHYFMRSA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001479338573 1392219431 /nfs/dbraw/zinc/21/94/31/1392219431.db2.gz YHUCTRHUPDPENR-VNTMZGSJSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001479685049 1392317950 /nfs/dbraw/zinc/31/79/50/1392317950.db2.gz AXAJUHSUMNMPCW-MOPGFXCFSA-N 2 0 337.552 3.410 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)[C@H]1C ZINC001479729877 1392341220 /nfs/dbraw/zinc/34/12/20/1392341220.db2.gz MPKVFAPTHKNAAU-CXLYAGSJSA-N 2 0 335.536 3.042 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1ccc(F)cc1 ZINC001479845263 1392427626 /nfs/dbraw/zinc/42/76/26/1392427626.db2.gz IIUXDFIEBPRGJZ-FRQCXROJSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001479869425 1392446178 /nfs/dbraw/zinc/44/61/78/1392446178.db2.gz XJUOWYGZUQTGPX-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001698859506 1406569337 /nfs/dbraw/zinc/56/93/37/1406569337.db2.gz CKWGLJBIYWGKGR-QUCCMNQESA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021290 1392538732 /nfs/dbraw/zinc/53/87/32/1392538732.db2.gz YTSVOGHRDBYKPP-VQTJNVASSA-N 2 0 347.547 3.234 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C1 ZINC001480077955 1392567264 /nfs/dbraw/zinc/56/72/64/1392567264.db2.gz QIADAUXGKWUDJY-CEXWTWQISA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001480080124 1392569832 /nfs/dbraw/zinc/56/98/32/1392569832.db2.gz TYLNOUNBTLAUNZ-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@@H](C[NH+](C)CCC3CC3)C2)C1 ZINC001480082255 1392571296 /nfs/dbraw/zinc/57/12/96/1392571296.db2.gz PJHNEMHYYFRGCL-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)CC(C)(C)C ZINC001480158412 1392604038 /nfs/dbraw/zinc/60/40/38/1392604038.db2.gz PBQRYPXCXSYDHR-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CCC3CC3)CC[C@@H]21)CC(C)(C)C ZINC001480190243 1392619814 /nfs/dbraw/zinc/61/98/14/1392619814.db2.gz YOPOVCKDUQHLMC-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480211009 1392623539 /nfs/dbraw/zinc/62/35/39/1392623539.db2.gz JFKUPFQIIHPLFR-UGZFAFSNSA-N 2 0 335.536 3.233 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480282488 1392658470 /nfs/dbraw/zinc/65/84/70/1392658470.db2.gz AQVMCIMIGCVNPM-HNNXBMFYSA-N 2 0 337.533 3.052 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480304898 1392668169 /nfs/dbraw/zinc/66/81/69/1392668169.db2.gz NLENZPDDMWKUPB-OALUTQOASA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001480346823 1392698697 /nfs/dbraw/zinc/69/86/97/1392698697.db2.gz JSGDFNWEKXHOKD-OBNUAKFSSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001480352764 1392700825 /nfs/dbraw/zinc/70/08/25/1392700825.db2.gz ZRNGHZLYQIRADO-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[C@H](C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001480368235 1392710656 /nfs/dbraw/zinc/71/06/56/1392710656.db2.gz UVOCRUMWZMFLBY-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001480373541 1392716327 /nfs/dbraw/zinc/71/63/27/1392716327.db2.gz QROZNDLMBLRAKW-FMEUAVTJSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)CC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001480405132 1392743253 /nfs/dbraw/zinc/74/32/53/1392743253.db2.gz MPRKEFUKDWRPTM-CTWPCTMYSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001480475859 1392763794 /nfs/dbraw/zinc/76/37/94/1392763794.db2.gz VFMSQHCUSYLGCD-LPHOPBHVSA-N 2 0 335.536 3.068 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001480649232 1392835762 /nfs/dbraw/zinc/83/57/62/1392835762.db2.gz SWAFUXYLHWYUNJ-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480703324 1392866433 /nfs/dbraw/zinc/86/64/33/1392866433.db2.gz QUOJDASQVSHJFR-ROUUACIJSA-N 2 0 337.552 3.458 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001480703323 1392866868 /nfs/dbraw/zinc/86/68/68/1392866868.db2.gz QUOJDASQVSHJFR-QZTJIDSGSA-N 2 0 337.552 3.458 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001480710073 1392871932 /nfs/dbraw/zinc/87/19/32/1392871932.db2.gz UYFHNGUYSUOYOZ-SJORKVTESA-N 2 0 325.541 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480733098 1392896069 /nfs/dbraw/zinc/89/60/69/1392896069.db2.gz WYKCSVLPDUJGRR-HMECNJMJSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H](F)CC[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480736656 1392901871 /nfs/dbraw/zinc/90/18/71/1392901871.db2.gz HOXAYYQZENSGBO-QFBILLFUSA-N 2 0 349.494 3.033 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]([N@H+](C)CCCC2CCCC2)C1)[NH+](C)C ZINC001480737849 1392903876 /nfs/dbraw/zinc/90/38/76/1392903876.db2.gz AKCHNUORCJNJOW-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1CCCCC1 ZINC001480764627 1392920158 /nfs/dbraw/zinc/92/01/58/1392920158.db2.gz OJPJXRBMYATPJN-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@@H](C)[NH2+]Cc2c(C)cccc2C)CC[N@@H+]1C ZINC001480765461 1392920572 /nfs/dbraw/zinc/92/05/72/1392920572.db2.gz KVGKJRABLVJNRR-WSTZPKSXSA-N 2 0 345.531 3.018 10 0 EGAERP C[NH+]1CCC(CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001480829285 1392969851 /nfs/dbraw/zinc/96/98/51/1392969851.db2.gz HSEJUHQRLVCOCN-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001480874347 1392993601 /nfs/dbraw/zinc/99/36/01/1392993601.db2.gz ANJQBILMBZYGLY-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)CC(C)C ZINC001698880752 1406609748 /nfs/dbraw/zinc/60/97/48/1406609748.db2.gz XIUGPRMGRIZYMO-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C2CCCCC2)C1 ZINC001698884405 1406617044 /nfs/dbraw/zinc/61/70/44/1406617044.db2.gz LTLQPCOHHHLOGM-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@H]1C ZINC001698890028 1406622534 /nfs/dbraw/zinc/62/25/34/1406622534.db2.gz ISNUYCOKPVDQAX-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccccc1 ZINC001481365790 1394205215 /nfs/dbraw/zinc/20/52/15/1394205215.db2.gz ALRHHQPCKHMCOY-NKKNLYITSA-N 2 0 343.515 3.130 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481411614 1394270599 /nfs/dbraw/zinc/27/05/99/1394270599.db2.gz GHOBQWOVTWYWHL-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[NH+]1CC[C@H](CCNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001481440613 1394293609 /nfs/dbraw/zinc/29/36/09/1394293609.db2.gz AGJPBSDJFFHLEH-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP O=C(NC[C@H]([NH2+]CC1CCC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001490698569 1394298775 /nfs/dbraw/zinc/29/87/75/1394298775.db2.gz HRSJPSUSSLFSCX-PMACEKPBSA-N 2 0 347.547 3.068 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001490763197 1394325256 /nfs/dbraw/zinc/32/52/56/1394325256.db2.gz NCWCPOLZEJICKP-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001490776176 1394340550 /nfs/dbraw/zinc/34/05/50/1394340550.db2.gz PTPQKVDSRQTHEG-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481494942 1394341007 /nfs/dbraw/zinc/34/10/07/1394341007.db2.gz CMPSSSYLZGDWIW-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CC[C@@H](C[NH+](C)CC(C)C)C1)c1ccccc1 ZINC001481505085 1394351856 /nfs/dbraw/zinc/35/18/56/1394351856.db2.gz QEWQCNBLJAHCFH-AZUAARDMSA-N 2 0 345.531 3.116 10 0 EGAERP CCCCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001481513551 1394361411 /nfs/dbraw/zinc/36/14/11/1394361411.db2.gz FYJQIKIODOBRDF-IEBWSBKVSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001490975903 1394390046 /nfs/dbraw/zinc/39/00/46/1394390046.db2.gz PFKGYLZSHFMIFK-XVLXNVKGSA-N 2 0 349.563 3.120 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC001491154250 1394452800 /nfs/dbraw/zinc/45/28/00/1394452800.db2.gz QRCUGBZDOJZZKA-DSQZMVHQSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC2CCC2)C1 ZINC001491153536 1394452839 /nfs/dbraw/zinc/45/28/39/1394452839.db2.gz LTGCDYAAPUOEAL-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCCC[N@@H+]1CCC1CC1)[NH+]1CCCCC1 ZINC001491214437 1394474861 /nfs/dbraw/zinc/47/48/61/1394474861.db2.gz ODSGDRPWBLXBLV-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001491681284 1394525615 /nfs/dbraw/zinc/52/56/15/1394525615.db2.gz CVJKBFFWMDQPLN-IRXDYDNUSA-N 2 0 341.499 3.335 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001481838429 1394553081 /nfs/dbraw/zinc/55/30/81/1394553081.db2.gz BVDRUBQJVWENKH-ZWKOTPCHSA-N 2 0 345.531 3.415 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+]1CCCC1)CC2 ZINC001482071903 1394735426 /nfs/dbraw/zinc/73/54/26/1394735426.db2.gz MJILZPLEFAMUOC-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCCC1 ZINC001482222757 1394816321 /nfs/dbraw/zinc/81/63/21/1394816321.db2.gz JRIBLGZYICZASC-GOSISDBHSA-N 2 0 347.547 3.070 10 0 EGAERP O=C(NCC1([NH2+]CC2=CCCCC2)CCCC1)C12CCC[NH+]1CCC2 ZINC001482223908 1394817818 /nfs/dbraw/zinc/81/78/18/1394817818.db2.gz PAIVGGTUSXDSGE-UHFFFAOYSA-N 2 0 345.531 3.134 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482323439 1394894770 /nfs/dbraw/zinc/89/47/70/1394894770.db2.gz JQMGFMQJUJNIHH-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001482369504 1394932014 /nfs/dbraw/zinc/93/20/14/1394932014.db2.gz YJELMWSYPCJPKG-MRXNPFEDSA-N 2 0 333.520 3.235 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@H]2CCCC[N@@H+]2C)c1 ZINC001482385774 1394947077 /nfs/dbraw/zinc/94/70/77/1394947077.db2.gz BESGAINECUQWII-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001482395848 1394956654 /nfs/dbraw/zinc/95/66/54/1394956654.db2.gz FQRVHGBJFDNLSA-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001482395844 1394956729 /nfs/dbraw/zinc/95/67/29/1394956729.db2.gz FQRVHGBJFDNLSA-MOPGFXCFSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001482437628 1394998600 /nfs/dbraw/zinc/99/86/00/1394998600.db2.gz PXRXCUXPEMEFFR-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001482450202 1395008935 /nfs/dbraw/zinc/00/89/35/1395008935.db2.gz UGVKPSDZNOVAMP-OALUTQOASA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(C)cc1 ZINC001482458766 1395017388 /nfs/dbraw/zinc/01/73/88/1395017388.db2.gz NDYYFOTVSWFGQG-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001482495255 1395047836 /nfs/dbraw/zinc/04/78/36/1395047836.db2.gz NJLTUVRYBMPZLA-FXAWDEMLSA-N 2 0 345.531 3.031 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001483841923 1395107770 /nfs/dbraw/zinc/10/77/70/1395107770.db2.gz KVAXGMCDILUKRW-SFMFPFJOSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CC1CC[NH+](C)CC1 ZINC001483911588 1395141410 /nfs/dbraw/zinc/14/14/10/1395141410.db2.gz KERHLEMNRZAHGW-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H](C)C1 ZINC001483911826 1395141523 /nfs/dbraw/zinc/14/15/23/1395141523.db2.gz XQZIHMDYYGEBIR-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH+]1CCC(C)(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001483966733 1395167646 /nfs/dbraw/zinc/16/76/46/1395167646.db2.gz BHJIMKCCURHPFA-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)[NH+](C)C ZINC001484011861 1395185390 /nfs/dbraw/zinc/18/53/90/1395185390.db2.gz DNXBWOBMFJZQSC-RTBURBONSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CC[NH+](C)C1)C2 ZINC001484023022 1395194644 /nfs/dbraw/zinc/19/46/44/1395194644.db2.gz UDTRERRUBFUWJY-PZJWPPBQSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001484388904 1395356677 /nfs/dbraw/zinc/35/66/77/1395356677.db2.gz OPLAYRHGFDGUER-IYWMVGAKSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)C2 ZINC001484389571 1395357580 /nfs/dbraw/zinc/35/75/80/1395357580.db2.gz NRTGANNIBMILEH-REPLKXPHSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H](C(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCC1)[NH+]1CCCCCC1 ZINC001484653924 1395463822 /nfs/dbraw/zinc/46/38/22/1395463822.db2.gz VUQUWBDIQKIMGF-QGZVFWFLSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CCCC2)CC1 ZINC001484810802 1395546174 /nfs/dbraw/zinc/54/61/74/1395546174.db2.gz LNDOTKBYWXFWPB-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484816497 1395550902 /nfs/dbraw/zinc/55/09/02/1395550902.db2.gz LBVQXVZOXVDIKR-SFHVURJKSA-N 2 0 347.547 3.189 10 0 EGAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001484818957 1395552762 /nfs/dbraw/zinc/55/27/62/1395552762.db2.gz FDFWVMNLFRKBOS-GOSISDBHSA-N 2 0 331.504 3.060 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484832825 1395569776 /nfs/dbraw/zinc/56/97/76/1395569776.db2.gz WDTFJHORXDVGMY-QQUYBBDPSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)(C)CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3CCCC3)cc2C1 ZINC001484875846 1395579854 /nfs/dbraw/zinc/57/98/54/1395579854.db2.gz CBQBXNRLARFENT-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H]2CC[NH+](CC)C2)C1 ZINC001485082135 1395652413 /nfs/dbraw/zinc/65/24/13/1395652413.db2.gz MJFIUXIKVKSMCJ-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001485239205 1395731916 /nfs/dbraw/zinc/73/19/16/1395731916.db2.gz DZLDAMCSTIZSHW-WWDZGPRUSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cc(C)ccc1C ZINC001485310045 1395788232 /nfs/dbraw/zinc/78/82/32/1395788232.db2.gz OHHNAGHBCGRYIK-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001485571792 1396037768 /nfs/dbraw/zinc/03/77/68/1396037768.db2.gz NWEMJBFKBZEEKU-FUHWJXTLSA-N 2 0 343.515 3.059 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485737840 1396125300 /nfs/dbraw/zinc/12/53/00/1396125300.db2.gz XVHAYQUBTFLRGC-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[NH2+]CCCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001485768455 1396146718 /nfs/dbraw/zinc/14/67/18/1396146718.db2.gz OYFRJBCPPUGRPT-ICSRJNTNSA-N 2 0 345.531 3.134 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC(C)(C)C)C(C)(C)C1 ZINC001486239376 1396187296 /nfs/dbraw/zinc/18/72/96/1396187296.db2.gz BWGJTYPEDDOMLK-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@@H]([NH2+]CCC3CCCCC3)C(C)(C)C2)CC1 ZINC001486241422 1396187833 /nfs/dbraw/zinc/18/78/33/1396187833.db2.gz WIIGFWWTWAVQEX-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486242510 1396188154 /nfs/dbraw/zinc/18/81/54/1396188154.db2.gz LQYIPBFJELEPTN-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CC[NH+](C)C1CCCCC1 ZINC001501393353 1396194189 /nfs/dbraw/zinc/19/41/89/1396194189.db2.gz AFFKKHXTNQNTGZ-RTBURBONSA-N 2 0 335.536 3.116 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCCC[NH+]1C)C2 ZINC001502543082 1396204807 /nfs/dbraw/zinc/20/48/07/1396204807.db2.gz CGZMZXRMHDYFRX-YDWSFWPNSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001503024519 1396241763 /nfs/dbraw/zinc/24/17/63/1396241763.db2.gz YWRMHRKERMXHKY-UYAOXDASSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001505399598 1396287438 /nfs/dbraw/zinc/28/74/38/1396287438.db2.gz SLHPJJJRECIOIR-UHFFFAOYSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1ccc(C[NH+](C)[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)cc1C ZINC001491965533 1396301409 /nfs/dbraw/zinc/30/14/09/1396301409.db2.gz NNOYUUMWXQLWAB-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CC1CC1)[C@H]1CCC[NH+]1C1CCCC1 ZINC001492156623 1396309478 /nfs/dbraw/zinc/30/94/78/1396309478.db2.gz HTJPYIJXXDHMRP-UYAOXDASSA-N 2 0 347.547 3.164 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001492176204 1396312673 /nfs/dbraw/zinc/31/26/73/1396312673.db2.gz TXSFHOWHNRTRAN-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[NH+](CC)CC2CC3(CCC3)C2)C1 ZINC001493006891 1396331487 /nfs/dbraw/zinc/33/14/87/1396331487.db2.gz WETMCUSLIZSMBV-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCCC1 ZINC001493140076 1396338196 /nfs/dbraw/zinc/33/81/96/1396338196.db2.gz NFFKEAJOUYTCPA-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001494148318 1396384438 /nfs/dbraw/zinc/38/44/38/1396384438.db2.gz CFJSETZZPDEHSB-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCC1 ZINC001496179556 1396620537 /nfs/dbraw/zinc/62/05/37/1396620537.db2.gz SXBWPILJJWQAAS-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001496312329 1396643788 /nfs/dbraw/zinc/64/37/88/1396643788.db2.gz PKFQZMCPDFXNTJ-PMACEKPBSA-N 2 0 349.563 3.457 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001496369368 1396671763 /nfs/dbraw/zinc/67/17/63/1396671763.db2.gz KIYWBYCMOMIGNU-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CC1CCCC1 ZINC001496373074 1396673857 /nfs/dbraw/zinc/67/38/57/1396673857.db2.gz CGQDNPFJAIBIPV-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001496389269 1396683532 /nfs/dbraw/zinc/68/35/32/1396683532.db2.gz KXFGULWDDVORFH-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001497994072 1396907656 /nfs/dbraw/zinc/90/76/56/1396907656.db2.gz WHCZDPKLSHHLMJ-UYAOXDASSA-N 2 0 345.531 3.081 10 0 EGAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)CC[N@H+](C)C1CCCCC1 ZINC001498077424 1396918285 /nfs/dbraw/zinc/91/82/85/1396918285.db2.gz HZMLBAQKVUVGFP-KRWDZBQOSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C[NH+](C)C3CCC3)C(C)(C)[C@H]21 ZINC001689147115 1396947475 /nfs/dbraw/zinc/94/74/75/1396947475.db2.gz RYHRQNYZWGTAME-HOJAQTOUSA-N 2 0 349.563 3.122 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)[C@H]1CC ZINC001689177128 1396960198 /nfs/dbraw/zinc/96/01/98/1396960198.db2.gz YLSPGPDTONPJSC-CEXWTWQISA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001689239085 1396986840 /nfs/dbraw/zinc/98/68/40/1396986840.db2.gz YBHXQZRDKUMLLG-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CCc1ccccc1C[NH+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001498454219 1396999520 /nfs/dbraw/zinc/99/95/20/1396999520.db2.gz AVDKOQCCROUIKG-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@@H](c1ccccc1)N(C)C ZINC001498457532 1397004830 /nfs/dbraw/zinc/00/48/30/1397004830.db2.gz RRTPDERAXNVZOY-FXAWDEMLSA-N 2 0 345.531 3.306 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC1 ZINC001498483756 1397029978 /nfs/dbraw/zinc/02/99/78/1397029978.db2.gz GGLIBIVGSQTHNV-HKUYNNGSSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001689363496 1403700886 /nfs/dbraw/zinc/70/08/86/1403700886.db2.gz UVHQIYUMHYMIPW-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)CCCNC(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001689807785 1404148482 /nfs/dbraw/zinc/14/84/82/1404148482.db2.gz IAUKCPFRQBBZLV-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001689810425 1404151047 /nfs/dbraw/zinc/15/10/47/1404151047.db2.gz ABLFXTQQMLGMRQ-RTBURBONSA-N 2 0 331.504 3.060 10 0 EGAERP CC[C@H](C(=O)NCCC[N@H+](C)Cc1ccc2ccccc2c1)[NH+](C)C ZINC001689878051 1404180833 /nfs/dbraw/zinc/18/08/33/1404180833.db2.gz VPOFMQQBIVTXNG-HXUWFJFHSA-N 2 0 341.499 3.118 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC[N@H+](CC1CCCCCC1)C1CC1 ZINC001690014730 1404256375 /nfs/dbraw/zinc/25/63/75/1404256375.db2.gz NVLBVINSCUQTSB-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690197638 1404408040 /nfs/dbraw/zinc/40/80/40/1404408040.db2.gz QTJBVLIFNVAJDF-AZUAARDMSA-N 2 0 345.531 3.260 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001690199638 1404411357 /nfs/dbraw/zinc/41/13/57/1404411357.db2.gz WKLXXLDWPYGFLY-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001690207359 1404415148 /nfs/dbraw/zinc/41/51/48/1404415148.db2.gz VJBSEAGTDIVJRF-OAOPFVHKSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001690394057 1404536225 /nfs/dbraw/zinc/53/62/25/1404536225.db2.gz RPVXJZAOUPWBHE-DLBZAZTESA-N 2 0 349.494 3.055 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]2CCCC[N@@H+]2CC2=CCCCC2)CC1 ZINC001690457849 1404586357 /nfs/dbraw/zinc/58/63/57/1404586357.db2.gz SSIGMIYREJDWFX-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690502576 1404616239 /nfs/dbraw/zinc/61/62/39/1404616239.db2.gz ZWZBUOFBRSNBAE-FNYRVFDFSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001690541630 1404627172 /nfs/dbraw/zinc/62/71/72/1404627172.db2.gz JDLSRXVMWDEMMR-LMDPOFIKSA-N 2 0 335.536 3.234 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001690542782 1404627601 /nfs/dbraw/zinc/62/76/01/1404627601.db2.gz CIFWEJQZTMGWRE-AATRIKPKSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001690650714 1404681781 /nfs/dbraw/zinc/68/17/81/1404681781.db2.gz PZSMVIGUYBYGJS-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc21)[NH+](C)C ZINC001725151908 1425638384 /nfs/dbraw/zinc/63/83/84/1425638384.db2.gz ZNMWNZXPHJJZFR-OALUTQOASA-N 2 0 345.531 3.088 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001690752101 1404708969 /nfs/dbraw/zinc/70/89/69/1404708969.db2.gz YHGKJPQHELNWLQ-WOJBJXKFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CC1CCC(C)(C)CC1 ZINC001690983676 1404896764 /nfs/dbraw/zinc/89/67/64/1404896764.db2.gz UBKPSOVHJHVMOB-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC1CC(C[NH2+][C@H]2C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)C1 ZINC001691103907 1405043396 /nfs/dbraw/zinc/04/33/96/1405043396.db2.gz VEUGXADEDUTMNC-OWCVQMPJSA-N 2 0 349.563 3.170 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001691163141 1405098607 /nfs/dbraw/zinc/09/86/07/1405098607.db2.gz PJGANGMRYWYBKQ-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CCC2(CC2)CC1)C1CC1 ZINC001691221804 1405162793 /nfs/dbraw/zinc/16/27/93/1405162793.db2.gz SXQGMHDTJHEEFV-IBGZPJMESA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001691254888 1405182706 /nfs/dbraw/zinc/18/27/06/1405182706.db2.gz GXPDUNJTBBUAPH-GBESFXJTSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CCC[N@@H+]3C)C2)CC1 ZINC001691275574 1405187764 /nfs/dbraw/zinc/18/77/64/1405187764.db2.gz SXDRNBMGNQNXFK-OALUTQOASA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691595152 1405350524 /nfs/dbraw/zinc/35/05/24/1405350524.db2.gz IHBVRAPMFQEKEP-FGTMMUONSA-N 2 0 337.552 3.027 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)CC2CC[NH+](C)CC2)C1 ZINC001691634046 1405371036 /nfs/dbraw/zinc/37/10/36/1405371036.db2.gz MSSUETQWQYJSBG-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP CCCc1ccc(CN2CC[C@H]2CN(C)C(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001691646707 1405378784 /nfs/dbraw/zinc/37/87/84/1405378784.db2.gz RCZCSOHOAREKBQ-VQTJNVASSA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)[C@H]1C ZINC001691697115 1405429693 /nfs/dbraw/zinc/42/96/93/1405429693.db2.gz QCJBDDUATFKXJU-AEFFLSMTSA-N 2 0 335.536 3.185 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)Cc1ccc(F)cc1 ZINC001691732445 1405455927 /nfs/dbraw/zinc/45/59/27/1405455927.db2.gz GCOXCKXXKBVAEU-UHFFFAOYSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001691754653 1405472709 /nfs/dbraw/zinc/47/27/09/1405472709.db2.gz YXYJRWIDTSUJAH-RBUKOAKNSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CCC1CCCC1 ZINC001691769451 1405481308 /nfs/dbraw/zinc/48/13/08/1405481308.db2.gz IDPOAOIPUYJZIK-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001691818788 1405534032 /nfs/dbraw/zinc/53/40/32/1405534032.db2.gz KDBIMOJSFNGXAS-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[N@H+](CC2=CCCCC2)CC(C)(C)C1 ZINC001691818787 1405534188 /nfs/dbraw/zinc/53/41/88/1405534188.db2.gz KDBIMOJSFNGXAS-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001691822969 1405538692 /nfs/dbraw/zinc/53/86/92/1405538692.db2.gz GSDRLXOQQIVBRM-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691832290 1405545874 /nfs/dbraw/zinc/54/58/74/1405545874.db2.gz ZDKQIRVUKUXZGF-ZULIPRJHSA-N 2 0 349.563 3.314 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+](C)C)c1 ZINC001691838203 1405550442 /nfs/dbraw/zinc/55/04/42/1405550442.db2.gz YTKUSWXYIFQYGW-HBFSDRIKSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001731415817 1427386226 /nfs/dbraw/zinc/38/62/26/1427386226.db2.gz IPTVKFVPSAJHMC-RTBURBONSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CCCC(C)(C)C ZINC001692022053 1405740378 /nfs/dbraw/zinc/74/03/78/1405740378.db2.gz RCFORFNGNWRHLA-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@H]1CC ZINC001692194863 1405834372 /nfs/dbraw/zinc/83/43/72/1405834372.db2.gz MZGRLHHKSUEXFC-OXUXSNCKSA-N 2 0 347.547 3.330 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001692257412 1405883036 /nfs/dbraw/zinc/88/30/36/1405883036.db2.gz BYKICPCJFPSZCT-PMACEKPBSA-N 2 0 345.531 3.402 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001692279374 1405912096 /nfs/dbraw/zinc/91/20/96/1405912096.db2.gz DQBIKQQFYQQIBJ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001692376273 1405983746 /nfs/dbraw/zinc/98/37/46/1405983746.db2.gz JRNYSDBBNSJKOC-GBESFXJTSA-N 2 0 335.536 3.115 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001698567840 1406170836 /nfs/dbraw/zinc/17/08/36/1406170836.db2.gz BZCCVYNQNHLMIJ-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732038016 1428261060 /nfs/dbraw/zinc/26/10/60/1428261060.db2.gz BAFDQJBAWNZWRA-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@@H]1CCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001732080939 1428334930 /nfs/dbraw/zinc/33/49/30/1428334930.db2.gz NDPLLYSUCIWNQO-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@@H]2C[C@H]1C[N@@H+]2CCC1CCCCCC1 ZINC001732149318 1428392465 /nfs/dbraw/zinc/39/24/65/1428392465.db2.gz BSVYJGMOKAMAML-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001732197507 1428448584 /nfs/dbraw/zinc/44/85/84/1428448584.db2.gz BBYUWJISRLHIBJ-OALUTQOASA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](CC)c1ccccc1 ZINC001732206280 1428455801 /nfs/dbraw/zinc/45/58/01/1428455801.db2.gz SEVHQUBUFKUQLA-OALUTQOASA-N 2 0 345.531 3.497 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]CC1CCCCCC1 ZINC001732219740 1428467828 /nfs/dbraw/zinc/46/78/28/1428467828.db2.gz AWHIGNIUOQUVOY-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001732303501 1428520562 /nfs/dbraw/zinc/52/05/62/1428520562.db2.gz RIMDLWPFJPZSJQ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CCC2=CCCCC2)CC1 ZINC001732314887 1428526365 /nfs/dbraw/zinc/52/63/65/1428526365.db2.gz YMNZQCBFPFOYLU-WGSAOQKQSA-N 2 0 335.536 3.236 10 0 EGAERP CC/C=C\CC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001732316359 1428527542 /nfs/dbraw/zinc/52/75/42/1428527542.db2.gz OPGUBDYJLHXPQF-FBQMEGEOSA-N 2 0 343.515 3.233 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001732323631 1428532838 /nfs/dbraw/zinc/53/28/38/1428532838.db2.gz UFBQXDSVYXLZGP-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001732400274 1428566397 /nfs/dbraw/zinc/56/63/97/1428566397.db2.gz YMVNKQRKCYKQQW-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(C[NH+](CCCC3CCCC3)C2)CC1 ZINC001732404713 1428568318 /nfs/dbraw/zinc/56/83/18/1428568318.db2.gz AOZAWNKAJMKFFD-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732423976 1428575290 /nfs/dbraw/zinc/57/52/90/1428575290.db2.gz BSHHWEAZWXQZLX-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc2ccccc2c1C[NH2+]C[C@H](C)N(C)C(=O)CC[NH+](C)C ZINC001732439217 1428581440 /nfs/dbraw/zinc/58/14/40/1428581440.db2.gz YLQQRRJLBMAMIR-KRWDZBQOSA-N 2 0 341.499 3.036 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC001732441614 1428582561 /nfs/dbraw/zinc/58/25/61/1428582561.db2.gz APWPQMALWFRSOE-ICSRJNTNSA-N 2 0 345.531 3.194 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733651208 1429844044 /nfs/dbraw/zinc/84/40/44/1429844044.db2.gz DBIHOZOORQPZJH-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001732458935 1428591258 /nfs/dbraw/zinc/59/12/58/1428591258.db2.gz MLZWXWUEKDOPJE-HNNXBMFYSA-N 2 0 347.528 3.178 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732467181 1428596906 /nfs/dbraw/zinc/59/69/06/1428596906.db2.gz SWLOYAGBNXVTOK-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732505932 1428625857 /nfs/dbraw/zinc/62/58/57/1428625857.db2.gz FAFRUHSPOLHMPT-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001699113733 1412516472 /nfs/dbraw/zinc/51/64/72/1412516472.db2.gz UYPSUIAVSGZREP-QGZVFWFLSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699127747 1412523280 /nfs/dbraw/zinc/52/32/80/1412523280.db2.gz GXZVEQWMXUHTMW-AOIWGVFYSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CC2CCC(C)CC2)C1 ZINC001699302078 1412625800 /nfs/dbraw/zinc/62/58/00/1412625800.db2.gz LGASPOCFEHNSPH-DPGPQQRUSA-N 2 0 349.563 3.197 10 0 EGAERP CC[C@@H](C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001699307422 1412629787 /nfs/dbraw/zinc/62/97/87/1412629787.db2.gz GEHTUTCDHJGAPR-GMMSVRSPSA-N 2 0 337.895 3.003 10 0 EGAERP C[C@H](C(=O)NC/C=C\C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001699312972 1412632636 /nfs/dbraw/zinc/63/26/36/1412632636.db2.gz BBRHVCAMQIVGPY-JTHGQSKGSA-N 2 0 333.520 3.013 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001699345921 1412654600 /nfs/dbraw/zinc/65/46/00/1412654600.db2.gz RKMHTIJEWUUTFE-FQQSSWHASA-N 2 0 333.520 3.013 10 0 EGAERP Cc1cc(C[NH2+]C[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001699365108 1412672026 /nfs/dbraw/zinc/67/20/26/1412672026.db2.gz DMOVHYPZCBCGBQ-KDOFPFPSSA-N 2 0 349.544 3.058 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001699487619 1412883572 /nfs/dbraw/zinc/88/35/72/1412883572.db2.gz MAQIEKWLWARRQP-RTBURBONSA-N 2 0 335.536 3.093 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001699539493 1412912871 /nfs/dbraw/zinc/91/28/71/1412912871.db2.gz OOJGXIPFXDQUPU-LJQANCHMSA-N 2 0 345.531 3.198 10 0 EGAERP O=C(N[C@@H](C[NH2+]CC1CCC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699590109 1412948597 /nfs/dbraw/zinc/94/85/97/1412948597.db2.gz SYYMMEOFUPJMMS-PMACEKPBSA-N 2 0 347.547 3.068 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CC2)cc1 ZINC001699592110 1412951441 /nfs/dbraw/zinc/95/14/41/1412951441.db2.gz KWWJAIFZOQAHGP-IBGZPJMESA-N 2 0 345.531 3.282 10 0 EGAERP CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1=CCCCC1 ZINC001699607345 1412971144 /nfs/dbraw/zinc/97/11/44/1412971144.db2.gz QVEKTFZPZOVBSX-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC2([NH2+]CC3CCC(C)(C)CC3)CC2)CC[N@@H+]1C ZINC001699663559 1413048395 /nfs/dbraw/zinc/04/83/95/1413048395.db2.gz QUXRCZRJXKNENS-WMZOPIPTSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](C2CCN(C(=O)CCCC[NH+]3CCCC3)CC2)C1 ZINC001699672710 1413062739 /nfs/dbraw/zinc/06/27/39/1413062739.db2.gz CUMFFXZNWPMFJI-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1C[NH+](CC2CCC(C)CC2)C1)[NH+]1CCCC1 ZINC001699725329 1413139316 /nfs/dbraw/zinc/13/93/16/1413139316.db2.gz BOFAJYABGNKXFH-AFMYVXGZSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001699771255 1413177437 /nfs/dbraw/zinc/17/74/37/1413177437.db2.gz UNFMXVDRBPJTJO-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)(C(=O)N[C@@H](C[NH2+]CCC1CC1)C1CCCC1)[NH+]1CCCCC1 ZINC001699790490 1413196774 /nfs/dbraw/zinc/19/67/74/1413196774.db2.gz QQRSSSFTDVGGHM-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCCC1)C1CCCC1 ZINC001699793946 1413201623 /nfs/dbraw/zinc/20/16/23/1413201623.db2.gz WWDYWBHIYPWIHW-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)C1CCCC1 ZINC001699798478 1413208972 /nfs/dbraw/zinc/20/89/72/1413208972.db2.gz CCIXYMLEIUCNEJ-IBGZPJMESA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2=CCCCC2)C1 ZINC001699852946 1413282640 /nfs/dbraw/zinc/28/26/40/1413282640.db2.gz CVUVUNGWLOFEIU-FQEVSTJZSA-N 2 0 335.536 3.047 10 0 EGAERP C[C@]1(C[NH2+]CCC2CCCC2)CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001699858906 1413291813 /nfs/dbraw/zinc/29/18/13/1413291813.db2.gz MIKSHHGJUCHVDL-OAQYLSRUSA-N 2 0 349.563 3.271 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@]1(C)CCC[NH+](CCCC2CCC2)C1 ZINC001699868154 1413311087 /nfs/dbraw/zinc/31/10/87/1413311087.db2.gz JDVZHUFDDAKTSY-PZJWPPBQSA-N 2 0 349.563 3.269 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001699937887 1413381471 /nfs/dbraw/zinc/38/14/71/1413381471.db2.gz BELAYEAPBYKKIZ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699945542 1413389310 /nfs/dbraw/zinc/38/93/10/1413389310.db2.gz UQTKBKFOJHPWDF-RBUKOAKNSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)(C)CC[NH2+]CC[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001700073324 1413487711 /nfs/dbraw/zinc/48/77/11/1413487711.db2.gz PXFDJLJDWALRJO-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001700101542 1413518932 /nfs/dbraw/zinc/51/89/32/1413518932.db2.gz IPLVXXMORJACGD-WGSAOQKQSA-N 2 0 349.563 3.317 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700181162 1413594946 /nfs/dbraw/zinc/59/49/46/1413594946.db2.gz PUHPCYAYZCXGDK-ZEVQVBBLSA-N 2 0 337.552 3.291 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001700201860 1413645372 /nfs/dbraw/zinc/64/53/72/1413645372.db2.gz KYQKKWMBGDLZMW-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001700216825 1413660382 /nfs/dbraw/zinc/66/03/82/1413660382.db2.gz IOFFRNWHDTZXLL-ZEVQVBBLSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001700216821 1413660741 /nfs/dbraw/zinc/66/07/41/1413660741.db2.gz IOFFRNWHDTZXLL-JTHGQSKGSA-N 2 0 335.536 3.188 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001700225003 1413675849 /nfs/dbraw/zinc/67/58/49/1413675849.db2.gz QRXOLRFOZUYESH-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCCCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@H](CC)[NH+](C)C ZINC001700226603 1413679127 /nfs/dbraw/zinc/67/91/27/1413679127.db2.gz JQVQCRVUBOWSEF-PMACEKPBSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001700227695 1413683823 /nfs/dbraw/zinc/68/38/23/1413683823.db2.gz SNMVSAORJXFIBH-FNEOHHHZSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CCC)C2 ZINC001700230053 1413687792 /nfs/dbraw/zinc/68/77/92/1413687792.db2.gz ODGLLICOOJGIKG-HXUWFJFHSA-N 2 0 337.552 3.223 10 0 EGAERP CC/C=C\CC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001700252939 1413700691 /nfs/dbraw/zinc/70/06/91/1413700691.db2.gz FYAJUPQFYZYIRI-SREVYHEPSA-N 2 0 343.515 3.315 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700284082 1413730466 /nfs/dbraw/zinc/73/04/66/1413730466.db2.gz TXDFDTKEZZODNU-OVKVCFKUSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001700286459 1413733664 /nfs/dbraw/zinc/73/36/64/1413733664.db2.gz UPTXBRKUGDKVAF-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700291939 1413746734 /nfs/dbraw/zinc/74/67/34/1413746734.db2.gz LMHYEOLFQVECEP-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001700406664 1413943982 /nfs/dbraw/zinc/94/39/82/1413943982.db2.gz YCDMTBOSSOFLDF-ZIAGYGMSSA-N 2 0 330.476 3.175 10 0 EGAERP Cc1ccc(C[NH+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)cc1 ZINC001700475707 1414101802 /nfs/dbraw/zinc/10/18/02/1414101802.db2.gz FWAZRLKHSXDUGO-AZUAARDMSA-N 2 0 345.531 3.194 10 0 EGAERP C[C@@H](CC(=O)N[C@@H]1C[N@H+](CCC(C)(C)C)CC1(C)C)n1ccnc1 ZINC001700577029 1414252114 /nfs/dbraw/zinc/25/21/14/1414252114.db2.gz UZNPMOCQDLTKSS-JKSUJKDBSA-N 2 0 334.508 3.097 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+](C)C3CCCCC3)C[C@@H]2C1 ZINC001700615398 1414281125 /nfs/dbraw/zinc/28/11/25/1414281125.db2.gz JBGDDMJXXICFEB-OTWHNJEPSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)cc1C ZINC001700661934 1414321277 /nfs/dbraw/zinc/32/12/77/1414321277.db2.gz KFAPDBYCJYMTSX-QWFCFKBJSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c(C)c1 ZINC001700662290 1414321660 /nfs/dbraw/zinc/32/16/60/1414321660.db2.gz OSJXGACQORRZQV-QWFCFKBJSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001700677739 1414332137 /nfs/dbraw/zinc/33/21/37/1414332137.db2.gz GTPGDKFHCRSYOL-ROUUACIJSA-N 2 0 345.531 3.415 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001700827421 1414483219 /nfs/dbraw/zinc/48/32/19/1414483219.db2.gz CMSYSRREGYQXDQ-UUSRSUCLSA-N 2 0 347.547 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001700868207 1414520544 /nfs/dbraw/zinc/52/05/44/1414520544.db2.gz QDYAPFAVIPJCFS-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@@H]1C ZINC001700880823 1414537003 /nfs/dbraw/zinc/53/70/03/1414537003.db2.gz HENFIJDQTZWAOL-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)[C@@H]1C ZINC001700884308 1414542527 /nfs/dbraw/zinc/54/25/27/1414542527.db2.gz CVVGPQMBKOZNDN-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CCC(CC)C[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001700972290 1414598785 /nfs/dbraw/zinc/59/87/85/1414598785.db2.gz DFOZTYYIPKFLAU-HKUYNNGSSA-N 2 0 339.568 3.322 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001701001575 1414654484 /nfs/dbraw/zinc/65/44/84/1414654484.db2.gz SFKVRENSFJIXQF-MSOLQXFVSA-N 2 0 339.568 3.418 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+](CC[C@H]2CCC[C@@H](C)C2)CC1 ZINC001701061296 1414717979 /nfs/dbraw/zinc/71/79/79/1414717979.db2.gz HQRWFUUMHWIQHK-RTBURBONSA-N 2 0 349.563 3.293 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]Cc1cc(C)ccc1C ZINC001732701663 1428916276 /nfs/dbraw/zinc/91/62/76/1428916276.db2.gz ZISAWUNYFVKGNK-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)CC2)C1 ZINC001733689513 1429905507 /nfs/dbraw/zinc/90/55/07/1429905507.db2.gz DDWBSVUFCZIUSD-KZNAEPCWSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH2+]Cc2c(C)cccc2C)C1 ZINC001732967428 1429092507 /nfs/dbraw/zinc/09/25/07/1429092507.db2.gz DOKMZBMQXJCKMM-RTBURBONSA-N 2 0 345.531 3.020 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1)CC(C)(C)C ZINC001707115306 1417207413 /nfs/dbraw/zinc/20/74/13/1417207413.db2.gz IFLJFVCEJGMFGZ-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)cc1 ZINC001733039827 1429167454 /nfs/dbraw/zinc/16/74/54/1429167454.db2.gz YZCDHLYUTWECSY-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CCC1CC1 ZINC001707147942 1417222200 /nfs/dbraw/zinc/22/22/00/1417222200.db2.gz YKTQMFISAHLOCC-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001707270361 1417276417 /nfs/dbraw/zinc/27/64/17/1417276417.db2.gz OHBRPZLIFUJNPW-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707440614 1417344764 /nfs/dbraw/zinc/34/47/64/1417344764.db2.gz DGMKGGZVPNHAOR-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C2CCC2)c1 ZINC001733045816 1429178826 /nfs/dbraw/zinc/17/88/26/1429178826.db2.gz SEAJTBSDGBHURB-QZTJIDSGSA-N 2 0 345.531 3.285 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccc(F)cc1 ZINC001712950212 1417508655 /nfs/dbraw/zinc/50/86/55/1417508655.db2.gz FWENVHOTCCDBDK-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001712952568 1417510458 /nfs/dbraw/zinc/51/04/58/1417510458.db2.gz PYDQPQMXBJVWLV-DLBZAZTESA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1F ZINC001712990568 1417542021 /nfs/dbraw/zinc/54/20/21/1417542021.db2.gz DICYKGACIYVUAP-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001712999946 1417552962 /nfs/dbraw/zinc/55/29/62/1417552962.db2.gz PFZALDOQGWFKSE-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)C ZINC001713025131 1417576804 /nfs/dbraw/zinc/57/68/04/1417576804.db2.gz UHHJFDGKIINGEM-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001713053192 1417605307 /nfs/dbraw/zinc/60/53/07/1417605307.db2.gz QDHNSTCBCJLVCU-UNQUKWGNSA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H]([NH2+]CC2CCCCCC2)C2CC2)CC[N@@H+]1C ZINC001713110416 1417672079 /nfs/dbraw/zinc/67/20/79/1417672079.db2.gz BXWMZMAFGZWKMG-SLFFLAALSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1)c1ccccc1 ZINC001713136001 1417716962 /nfs/dbraw/zinc/71/69/62/1417716962.db2.gz VSISLZJVFUKLRF-ICSRJNTNSA-N 2 0 345.531 3.258 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713136234 1417716991 /nfs/dbraw/zinc/71/69/91/1417716991.db2.gz BCXDGCQJLKOENR-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001713176040 1417748986 /nfs/dbraw/zinc/74/89/86/1417748986.db2.gz XETJQKXHAAIZMZ-GUDVDZBRSA-N 2 0 349.563 3.170 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001713184640 1417760734 /nfs/dbraw/zinc/76/07/34/1417760734.db2.gz MISYLIJFBPTRAV-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001713203186 1417774223 /nfs/dbraw/zinc/77/42/23/1417774223.db2.gz CIRNVYRJWXHJHZ-MHORFTMASA-N 2 0 335.536 3.066 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713252681 1417845291 /nfs/dbraw/zinc/84/52/91/1417845291.db2.gz DSMNKJUJRGRSPL-GNAXCBTBSA-N 2 0 347.547 3.189 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCCC1 ZINC001713258617 1417865091 /nfs/dbraw/zinc/86/50/91/1417865091.db2.gz AWWFENOCUBQWGL-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001713270788 1417882433 /nfs/dbraw/zinc/88/24/33/1417882433.db2.gz VBORWUQAGCUOTA-MSOLQXFVSA-N 2 0 349.544 3.045 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)[C@@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001713275483 1417892906 /nfs/dbraw/zinc/89/29/06/1417892906.db2.gz JIDZQQYEUOILKS-IEBWSBKVSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001713278339 1417901290 /nfs/dbraw/zinc/90/12/90/1417901290.db2.gz SCPQGHZIUZFYBD-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001713373318 1417984022 /nfs/dbraw/zinc/98/40/22/1417984022.db2.gz BRVHWGVZQGZBER-LSLCWXNRSA-N 2 0 347.547 3.378 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C[C@H]2CC[NH+](C)C2)C1 ZINC001713398956 1418019077 /nfs/dbraw/zinc/01/90/77/1418019077.db2.gz BNFLUDKJNNHSPK-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001733075052 1429230108 /nfs/dbraw/zinc/23/01/08/1429230108.db2.gz KMGCOARXCJBYRD-QUCCMNQESA-N 2 0 345.531 3.079 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCCC1CCCC1 ZINC001713427961 1418055770 /nfs/dbraw/zinc/05/57/70/1418055770.db2.gz NZPOHFCJSHQMOB-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC1CCCCC1 ZINC001713455483 1418106476 /nfs/dbraw/zinc/10/64/76/1418106476.db2.gz BWGYUUYTSXDKCL-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)CCC1CCCCC1 ZINC001713470121 1418136625 /nfs/dbraw/zinc/13/66/25/1418136625.db2.gz MPRAVWBGUDWORZ-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733100460 1429242260 /nfs/dbraw/zinc/24/22/60/1429242260.db2.gz FHSWWYQUZJJSRI-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713509323 1418235432 /nfs/dbraw/zinc/23/54/32/1418235432.db2.gz AVMNKBOOTUYENZ-INIZCTEOSA-N 2 0 328.460 3.027 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001713517023 1418252774 /nfs/dbraw/zinc/25/27/74/1418252774.db2.gz BAIWKZCRIXUSGM-MJGOQNOKSA-N 2 0 331.504 3.060 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)CC1 ZINC001713517632 1418255177 /nfs/dbraw/zinc/25/51/77/1418255177.db2.gz NOFDQWZSSHVZSM-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cc(C[NH2+]CCN(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)cs1 ZINC001713600151 1418389482 /nfs/dbraw/zinc/38/94/82/1418389482.db2.gz NHGWBMPKIBGAIK-SFHVURJKSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CCCCC1 ZINC001713609690 1418392367 /nfs/dbraw/zinc/39/23/67/1418392367.db2.gz PUNWMPLKTPGRBJ-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001713678188 1418430190 /nfs/dbraw/zinc/43/01/90/1418430190.db2.gz UKKUCGCCCHPDIB-CWHLKURSSA-N 2 0 349.563 3.432 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001733146907 1429262557 /nfs/dbraw/zinc/26/25/57/1429262557.db2.gz SFFWAKLLFPIJER-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713759404 1418567363 /nfs/dbraw/zinc/56/73/63/1418567363.db2.gz YJMPHNUKUDOENQ-MJGOQNOKSA-N 2 0 345.531 3.188 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](CC)CC ZINC001713830918 1418629460 /nfs/dbraw/zinc/62/94/60/1418629460.db2.gz FXXXKDGGXYTNLW-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001713848548 1418644125 /nfs/dbraw/zinc/64/41/25/1418644125.db2.gz AXRYARFKOULMQP-VZSQWMKGSA-N 2 0 347.547 3.045 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713953290 1418736629 /nfs/dbraw/zinc/73/66/29/1418736629.db2.gz ZWQGURBRMWBPAU-QAQDUYKDSA-N 2 0 337.552 3.312 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001714019367 1418800557 /nfs/dbraw/zinc/80/05/57/1418800557.db2.gz CCEDGSWJEOACKG-RBUKOAKNSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001714019822 1418801070 /nfs/dbraw/zinc/80/10/70/1418801070.db2.gz HJGCJJSCWMIYEV-HXUWFJFHSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001714049152 1418847435 /nfs/dbraw/zinc/84/74/35/1418847435.db2.gz UEGHBAJFKRVTLP-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714065790 1418862221 /nfs/dbraw/zinc/86/22/21/1418862221.db2.gz KDHOQYMGILUMAW-ZMBJWTFHSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714078568 1418872878 /nfs/dbraw/zinc/87/28/78/1418872878.db2.gz XECJVPMRUJORNH-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001714139566 1418942158 /nfs/dbraw/zinc/94/21/58/1418942158.db2.gz SGPRXJDKPCWNCU-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP CC[C@H](C)C[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001714199818 1419004446 /nfs/dbraw/zinc/00/44/46/1419004446.db2.gz HSCOXKSZWGRDGU-DZIBYMRMSA-N 2 0 345.531 3.425 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCCC2)C[C@@H]1CC ZINC001733202188 1429307641 /nfs/dbraw/zinc/30/76/41/1429307641.db2.gz VXBILOKNXNXZMV-HMTUNPETSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H](C[NH2+]CC2=CCCCC2)C1)[NH+](CC)CC ZINC001714363905 1419124446 /nfs/dbraw/zinc/12/44/46/1419124446.db2.gz JIIPAKKRKMDITD-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC1CCC(C)CC1 ZINC001714404013 1419146368 /nfs/dbraw/zinc/14/63/68/1419146368.db2.gz FXBMULCWUHGEBH-JLAWEPINSA-N 2 0 349.563 3.031 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418380 1419155747 /nfs/dbraw/zinc/15/57/47/1419155747.db2.gz YYTYDOVHZIBEPY-RTBURBONSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1=CCCCC1 ZINC001714474536 1419199006 /nfs/dbraw/zinc/19/90/06/1419199006.db2.gz ASCPAJGPGLZYJG-GOSISDBHSA-N 2 0 347.547 3.237 10 0 EGAERP CCCCCC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001714523287 1419249175 /nfs/dbraw/zinc/24/91/75/1419249175.db2.gz IRKQRWQPXNRQJD-RTBURBONSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@@H+]1CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001733210649 1429321146 /nfs/dbraw/zinc/32/11/46/1429321146.db2.gz LFYOOYSCWFVDOT-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](CCNC(=O)c1cccc(C[NH+](C)C)c1)CC1CC(C)(C)C1 ZINC001714599749 1419354996 /nfs/dbraw/zinc/35/49/96/1419354996.db2.gz OJQKABBMUHPLFN-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCC2(CC2)CC1 ZINC001714619236 1419383863 /nfs/dbraw/zinc/38/38/63/1419383863.db2.gz NYPMPRGAIKJJEE-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001714769671 1419500410 /nfs/dbraw/zinc/50/04/10/1419500410.db2.gz FKYJDRPGJVVGCR-AEFFLSMTSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1ccccc1C[N@@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C(C)C ZINC001714821678 1419531910 /nfs/dbraw/zinc/53/19/10/1419531910.db2.gz GVBSHSICUMLEFO-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001714849297 1419560989 /nfs/dbraw/zinc/56/09/89/1419560989.db2.gz VUYYNGOLIKKFBG-SFHVURJKSA-N 2 0 331.504 3.106 10 0 EGAERP CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714861170 1419583147 /nfs/dbraw/zinc/58/31/47/1419583147.db2.gz JABDPDYWFYATAT-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001714884484 1419624112 /nfs/dbraw/zinc/62/41/12/1419624112.db2.gz NDHLPCXVPDSBQC-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H](F)CC[N@H+](C)CC1CCN(C(=O)c2cc3c[nH]ccc-3n2)CC1 ZINC001714915491 1419665839 /nfs/dbraw/zinc/66/58/39/1419665839.db2.gz TVQWPUGNQCDJER-CQSZACIVSA-N 2 0 346.450 3.095 10 0 EGAERP CC(C)[C@H](C(=O)NCC1C[NH+](CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001714982168 1419717165 /nfs/dbraw/zinc/71/71/65/1419717165.db2.gz NWMSUJDIPSHDGN-HXUWFJFHSA-N 2 0 347.547 3.045 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001715002858 1419733408 /nfs/dbraw/zinc/73/34/08/1419733408.db2.gz JNJLISOXGPHMKJ-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+][C@H](C)c1ccccc1 ZINC001715062189 1419800890 /nfs/dbraw/zinc/80/08/90/1419800890.db2.gz FIQUGWYFCUFYRP-MJGOQNOKSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(F)c1 ZINC001715071077 1419806379 /nfs/dbraw/zinc/80/63/79/1419806379.db2.gz BOZIBQVJJIVNAW-QFBILLFUSA-N 2 0 349.494 3.075 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001715121717 1419866560 /nfs/dbraw/zinc/86/65/60/1419866560.db2.gz BGYXEQIQBRZUBK-UTKZUKDTSA-N 2 0 345.531 3.271 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1=CCCCC1)[NH+]1CCCC1 ZINC001733238343 1429380204 /nfs/dbraw/zinc/38/02/04/1429380204.db2.gz SZAPKKNXOWRNPR-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H](CC[NH2+]C(C)C)C1)c1ccccc1 ZINC001715159169 1419901253 /nfs/dbraw/zinc/90/12/53/1419901253.db2.gz UDLPCGAJEURGJF-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001715173699 1419910174 /nfs/dbraw/zinc/91/01/74/1419910174.db2.gz MPDIVRZYOXSUPZ-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715215395 1419947094 /nfs/dbraw/zinc/94/70/94/1419947094.db2.gz OFFBRHSUOQKBPG-FHWLQOOXSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)C[NH2+]CCC1CCCCCC1 ZINC001715238179 1419968297 /nfs/dbraw/zinc/96/82/97/1419968297.db2.gz JMZXUNDTWATTSX-IEBWSBKVSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCCC1CCCC1 ZINC001715248050 1419974177 /nfs/dbraw/zinc/97/41/77/1419974177.db2.gz PRLAJRWRKSIEFN-AOIWGVFYSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001715256820 1419979454 /nfs/dbraw/zinc/97/94/54/1419979454.db2.gz OTZSPKQMHCJRCC-QZTJIDSGSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001715331428 1420036723 /nfs/dbraw/zinc/03/67/23/1420036723.db2.gz UYTQLWSWTOYFRD-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001715375648 1420072005 /nfs/dbraw/zinc/07/20/05/1420072005.db2.gz FBLFUNRCWDUUFH-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001715393423 1420091047 /nfs/dbraw/zinc/09/10/47/1420091047.db2.gz NSIXLYPNJKKWPM-UYAOXDASSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001715408840 1420105726 /nfs/dbraw/zinc/10/57/26/1420105726.db2.gz DSSLRRLQWDDIJQ-KXBFYZLASA-N 2 0 340.471 3.049 10 0 EGAERP Cc1c(C(=O)N2CCCC[C@H]2CC[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001715435547 1420122186 /nfs/dbraw/zinc/12/21/86/1420122186.db2.gz DYNOCQVBQUUPNJ-KRWDZBQOSA-N 2 0 342.487 3.273 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001715451395 1420134055 /nfs/dbraw/zinc/13/40/55/1420134055.db2.gz YDOZDRNAULTJBR-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C(C)C)C1 ZINC001715506593 1420189873 /nfs/dbraw/zinc/18/98/73/1420189873.db2.gz MGBATUDASNPSKM-VQTJNVASSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001715508442 1420192087 /nfs/dbraw/zinc/19/20/87/1420192087.db2.gz QJEPXDKSXFQPLC-PMACEKPBSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@@H](CNC(=O)C12CCC[NH+]1CCC2)[NH2+]CC1CCC(C)CC1 ZINC001715592850 1420262660 /nfs/dbraw/zinc/26/26/60/1420262660.db2.gz MHDLIWDZBBQXLR-CTWPCTMYSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]C/C=C/c1ccccc1 ZINC001715718093 1420309592 /nfs/dbraw/zinc/30/95/92/1420309592.db2.gz YUIXCDXDYJWTAX-CQOFWLJFSA-N 2 0 343.515 3.059 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)c(C)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715739872 1420319931 /nfs/dbraw/zinc/31/99/31/1420319931.db2.gz UZVLDHDVTBWRFB-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1c(C(=O)NC/C=C\C[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001715847386 1420366517 /nfs/dbraw/zinc/36/65/17/1420366517.db2.gz ZLDNHNZTCSKNHC-PLNGDYQASA-N 2 0 340.471 3.099 10 0 EGAERP C[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCCCCC1)[NH+]1CCCCCC1 ZINC001715874886 1420378383 /nfs/dbraw/zinc/37/83/83/1420378383.db2.gz FAUPIKADAQFNCE-QWUACUGRSA-N 2 0 349.563 3.483 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001715945925 1420414238 /nfs/dbraw/zinc/41/42/38/1420414238.db2.gz TVMGVZBRJOLHHB-AOIWGVFYSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715998694 1420452441 /nfs/dbraw/zinc/45/24/41/1420452441.db2.gz RJEUKIBQJLSSBE-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001716005821 1420459967 /nfs/dbraw/zinc/45/99/67/1420459967.db2.gz ZIJDBZMTGMNUHD-FUHWJXTLSA-N 2 0 325.541 3.027 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)[C@H]2CCC[NH+]2C(C)C)c1 ZINC001716027330 1420484336 /nfs/dbraw/zinc/48/43/36/1420484336.db2.gz HWYVCRAKRJGSKR-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716041483 1420502937 /nfs/dbraw/zinc/50/29/37/1420502937.db2.gz YYSJQHVSIUPAQP-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716146421 1420541598 /nfs/dbraw/zinc/54/15/98/1420541598.db2.gz QZLPIQJPZKAURY-LPHOPBHVSA-N 2 0 335.536 3.068 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001716217278 1420569761 /nfs/dbraw/zinc/56/97/61/1420569761.db2.gz NANJIZXSBVYEEF-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001716222374 1420571040 /nfs/dbraw/zinc/57/10/40/1420571040.db2.gz YNDSLZKCXVFWQH-IAGOWNOFSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C/C[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001716377946 1420624082 /nfs/dbraw/zinc/62/40/82/1420624082.db2.gz DBGDEZDEMOFUCL-AQKVLALTSA-N 2 0 349.563 3.339 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001716491891 1420713609 /nfs/dbraw/zinc/71/36/09/1420713609.db2.gz HTCYBXUSQQZHSW-ROUUACIJSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716515499 1420745254 /nfs/dbraw/zinc/74/52/54/1420745254.db2.gz JUEAYMRSWQQNQY-ZWKOTPCHSA-N 2 0 335.536 3.092 10 0 EGAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716552164 1420758249 /nfs/dbraw/zinc/75/82/49/1420758249.db2.gz XJCYNYIYHSDPEG-UHFFFAOYSA-N 2 0 345.531 3.278 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCCC1)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001716578693 1420766358 /nfs/dbraw/zinc/76/63/58/1420766358.db2.gz BOIFWYYFEAWGFK-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001716653332 1420806796 /nfs/dbraw/zinc/80/67/96/1420806796.db2.gz FVANHXMVMRADIK-OALUTQOASA-N 2 0 335.536 3.164 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001716798750 1420931896 /nfs/dbraw/zinc/93/18/96/1420931896.db2.gz FBDWOKDZADOVHU-QZTJIDSGSA-N 2 0 347.547 3.330 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001716889585 1421013705 /nfs/dbraw/zinc/01/37/05/1421013705.db2.gz PFDFVAKFHCXZIR-AATRIKPKSA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001716953228 1421049208 /nfs/dbraw/zinc/04/92/08/1421049208.db2.gz WOIXRRXYJICJPF-RRFGBZISSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001716964949 1421054637 /nfs/dbraw/zinc/05/46/37/1421054637.db2.gz GUCUERSMTWMDLT-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001717001565 1421071390 /nfs/dbraw/zinc/07/13/90/1421071390.db2.gz GLIWFANHDAWWBF-BJLQDIEVSA-N 2 0 349.563 3.031 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001717152994 1421143553 /nfs/dbraw/zinc/14/35/53/1421143553.db2.gz LDZMSUKJHOSODQ-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001717201945 1421169949 /nfs/dbraw/zinc/16/99/49/1421169949.db2.gz LLGBFMDKEGZCGG-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717299845 1421242576 /nfs/dbraw/zinc/24/25/76/1421242576.db2.gz KMXXGLQCDBCYJO-UHFFFAOYSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)(C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1)[NH+]1CCCC1 ZINC001717300454 1421242795 /nfs/dbraw/zinc/24/27/95/1421242795.db2.gz HPNBAEJRODIAEV-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001717301319 1421243579 /nfs/dbraw/zinc/24/35/79/1421243579.db2.gz LXZNXQMLIAKKSP-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C1(C)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001717301988 1421244100 /nfs/dbraw/zinc/24/41/00/1421244100.db2.gz MNKYVXJQPWLYGZ-VOTSOKGWSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccccc2C)CC1 ZINC001717303897 1421245761 /nfs/dbraw/zinc/24/57/61/1421245761.db2.gz JGTFDMHIMDVFKD-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)CCC[NH2+]C1(C)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001717304358 1421246082 /nfs/dbraw/zinc/24/60/82/1421246082.db2.gz CLZREKKLXAACOZ-HDICACEKSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[N@H+](CC3CC(C)(C)C3)CC2(C)C)CCC1 ZINC001717309738 1421252450 /nfs/dbraw/zinc/25/24/50/1421252450.db2.gz SCNQWAZZLFPDMG-KRWDZBQOSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001717310097 1421252592 /nfs/dbraw/zinc/25/25/92/1421252592.db2.gz AFRKPTZFSJCTLN-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)C[C@H]1C ZINC001717332444 1421268131 /nfs/dbraw/zinc/26/81/31/1421268131.db2.gz UQJJETSHZLRYSF-IAGOWNOFSA-N 2 0 337.552 3.265 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001717359642 1421294277 /nfs/dbraw/zinc/29/42/77/1421294277.db2.gz QPMMDZLVOBXZSY-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@H]1CCCC[NH+]1C ZINC001717366961 1421302244 /nfs/dbraw/zinc/30/22/44/1421302244.db2.gz AFGKORHIKZZESO-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001717367710 1421304346 /nfs/dbraw/zinc/30/43/46/1421304346.db2.gz PIDGFQKCOGQSKW-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001717368151 1421304701 /nfs/dbraw/zinc/30/47/01/1421304701.db2.gz YLEJLKMXSLIMAT-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCC2(CC2)CC1 ZINC001717370887 1421309491 /nfs/dbraw/zinc/30/94/91/1421309491.db2.gz KLFVCUFOHMPJSY-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](CC(=O)N1CCC[C@@H]1C[N@H+](C)CC1CCCC1)CC(C)(C)C ZINC001717372975 1421313406 /nfs/dbraw/zinc/31/34/06/1421313406.db2.gz GBFGVJIGZFRDQN-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC2CC(C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001717384734 1421325711 /nfs/dbraw/zinc/32/57/11/1421325711.db2.gz VIHPZECOLBUCPX-GHBBCFCZSA-N 2 0 347.547 3.092 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717422822 1421352847 /nfs/dbraw/zinc/35/28/47/1421352847.db2.gz LFTUUSHBRKBQIP-SJORKVTESA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001717432012 1421359963 /nfs/dbraw/zinc/35/99/63/1421359963.db2.gz AJMMJHDSGXRDEY-HOTGVXAUSA-N 2 0 325.541 3.026 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717483998 1421419231 /nfs/dbraw/zinc/41/92/31/1421419231.db2.gz QWHWGRAWJNPHFV-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001717490550 1421429204 /nfs/dbraw/zinc/42/92/04/1421429204.db2.gz PCTLBAPSUPKEMP-OALUTQOASA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CCC(C)(C)C ZINC001717543114 1421484035 /nfs/dbraw/zinc/48/40/35/1421484035.db2.gz RJKPGPKJMRJYND-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1)c1ccccc1 ZINC001717560504 1421496712 /nfs/dbraw/zinc/49/67/12/1421496712.db2.gz SGRNCPGAQYRDNV-YLJYHZDGSA-N 2 0 345.531 3.162 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[NH+](CC2=CCCCC2)CC1(C)C ZINC001717582350 1421508445 /nfs/dbraw/zinc/50/84/45/1421508445.db2.gz HHCXXFWOZFOYEX-MOPGFXCFSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@@H]2C1 ZINC001717624474 1421533593 /nfs/dbraw/zinc/53/35/93/1421533593.db2.gz RPXVUWUOJZPQMB-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001717858747 1421671183 /nfs/dbraw/zinc/67/11/83/1421671183.db2.gz YELDPZIKDHSBOJ-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001717904295 1421700176 /nfs/dbraw/zinc/70/01/76/1421700176.db2.gz IGKZPHMMDYNBHS-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C(C)(C)C ZINC001717965326 1421736978 /nfs/dbraw/zinc/73/69/78/1421736978.db2.gz MZXIYCSPNLRISH-INIZCTEOSA-N 2 0 325.541 3.172 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001717978823 1421749534 /nfs/dbraw/zinc/74/95/34/1421749534.db2.gz KGRMMFDTUYJHAH-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001718021629 1421777114 /nfs/dbraw/zinc/77/71/14/1421777114.db2.gz QDGJGCVKICDRMX-ICSRJNTNSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC2CC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001733334938 1429519683 /nfs/dbraw/zinc/51/96/83/1429519683.db2.gz ZDXFDZPWNMUIQU-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733348786 1429530118 /nfs/dbraw/zinc/53/01/18/1429530118.db2.gz NCDWLKAEYVEDMX-PMACEKPBSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)C[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001733387207 1429575271 /nfs/dbraw/zinc/57/52/71/1429575271.db2.gz MNSYKWIZIMEOGE-RBUKOAKNSA-N 2 0 337.552 3.027 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@@H](C[NH2+]CC1CCCCCC1)C1CCCC1 ZINC001733387676 1429575933 /nfs/dbraw/zinc/57/59/33/1429575933.db2.gz PRPZRRDXXQVRBD-FQEVSTJZSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@H](C(=O)N[C@@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733414062 1429617323 /nfs/dbraw/zinc/61/73/23/1429617323.db2.gz XDDCEOWGCSQQFP-QUCCMNQESA-N 2 0 335.536 3.188 10 0 EGAERP CCC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001733436634 1429643906 /nfs/dbraw/zinc/64/39/06/1429643906.db2.gz YVWBVYJHSOSQDP-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CC1 ZINC001723313005 1424346719 /nfs/dbraw/zinc/34/67/19/1424346719.db2.gz VVLKJGFCMRXWRZ-WOJBJXKFSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001723625202 1424497007 /nfs/dbraw/zinc/49/70/07/1424497007.db2.gz QJUXXNDQZCVPLE-IHWFROFDSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)C1CCCCCC1 ZINC001723640839 1424507535 /nfs/dbraw/zinc/50/75/35/1424507535.db2.gz SRETZTWYTTXQAT-HDICACEKSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@]2(C1)CCC[NH+](CC1=CCCCC1)C2 ZINC001723690728 1424532310 /nfs/dbraw/zinc/53/23/10/1424532310.db2.gz JIUDBUXYKSWODM-NRFANRHFSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC2(C1)CC[NH+](CC1CCCC1)CC2 ZINC001723700136 1424538155 /nfs/dbraw/zinc/53/81/55/1424538155.db2.gz WSJBLDPQZHNBBB-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+](C)CC(C)(C)C)C2)C1 ZINC001723720793 1424546497 /nfs/dbraw/zinc/54/64/97/1424546497.db2.gz DYONNEJOGQIZSC-CQQBXOTJSA-N 2 0 349.563 3.245 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001723950135 1424609931 /nfs/dbraw/zinc/60/99/31/1424609931.db2.gz VCZYQEOFENAIIW-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733529448 1429736392 /nfs/dbraw/zinc/73/63/92/1429736392.db2.gz UPNWSTUKPWGTMK-IRXDYDNUSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([C@H](C)[NH2+]CCCC2CCCC2)C1 ZINC001733537842 1429744160 /nfs/dbraw/zinc/74/41/60/1429744160.db2.gz IHUWUCSPKQIUJF-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C1CCCC1 ZINC001724088482 1424655303 /nfs/dbraw/zinc/65/53/03/1424655303.db2.gz ICKBJECJKAOKKX-IBGZPJMESA-N 2 0 347.547 3.093 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724093294 1424656894 /nfs/dbraw/zinc/65/68/94/1424656894.db2.gz ATYCJKMUBFURTD-FXAWDEMLSA-N 2 0 345.531 3.272 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001724176002 1424711602 /nfs/dbraw/zinc/71/16/02/1424711602.db2.gz RYSKLLXMCRTWEF-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724244123 1424753053 /nfs/dbraw/zinc/75/30/53/1424753053.db2.gz JGJAEXAJCYOYTJ-RXVVDRJESA-N 2 0 345.531 3.144 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001724269096 1424764925 /nfs/dbraw/zinc/76/49/25/1424764925.db2.gz SXTPTJQTMWUHMX-PZJWPPBQSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CC1(C(=O)NCC2(C)CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001724295233 1424780568 /nfs/dbraw/zinc/78/05/68/1424780568.db2.gz NTANSZVSRLIVQZ-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001733564882 1429765326 /nfs/dbraw/zinc/76/53/26/1429765326.db2.gz BEIFAJVOIBSAAP-REPLKXPHSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H](C(C)C)[NH+](C)C)C2 ZINC001724613858 1424957361 /nfs/dbraw/zinc/95/73/61/1424957361.db2.gz OQRBHXDMZMGSNS-DHLCPLLUSA-N 2 0 349.563 3.288 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001724657525 1425024299 /nfs/dbraw/zinc/02/42/99/1425024299.db2.gz ZEDCUYIIVVBVPD-IWHMKIPHSA-N 2 0 347.547 3.281 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H]2CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724721676 1425073290 /nfs/dbraw/zinc/07/32/90/1425073290.db2.gz DXZGAFAJLOCHSL-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001724753838 1425124355 /nfs/dbraw/zinc/12/43/55/1425124355.db2.gz ACZUIGHPZVCBBP-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001724843951 1425193956 /nfs/dbraw/zinc/19/39/56/1425193956.db2.gz NIAUMQXLENPZHH-HXUWFJFHSA-N 2 0 347.547 3.334 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]([C@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001724867968 1425251419 /nfs/dbraw/zinc/25/14/19/1425251419.db2.gz OEJSEBVCQFMPFK-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C(C)C)C2 ZINC001724895613 1425287112 /nfs/dbraw/zinc/28/71/12/1425287112.db2.gz NPQMKCUICGNYFX-TZIWHRDSSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C2 ZINC001724901941 1425296491 /nfs/dbraw/zinc/29/64/91/1425296491.db2.gz ZPBQBFICYMHQSO-QUCCMNQESA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](CC3=CCCCC3)CC2(C)C)CC1 ZINC001724970816 1425370238 /nfs/dbraw/zinc/37/02/38/1425370238.db2.gz KDZHQZYFLMDHAZ-SFHVURJKSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001724980227 1425381954 /nfs/dbraw/zinc/38/19/54/1425381954.db2.gz TYILAXNOVWXEBI-AMIRNFFCSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCCC1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001725112287 1425568655 /nfs/dbraw/zinc/56/86/55/1425568655.db2.gz BXWXSQIWXPXDAE-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCC1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001725137574 1425612995 /nfs/dbraw/zinc/61/29/95/1425612995.db2.gz UAZXOMFHQXIILX-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[N@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725172504 1425683651 /nfs/dbraw/zinc/68/36/51/1425683651.db2.gz NJGWJMANJCNYLN-MRXNPFEDSA-N 2 0 325.541 3.122 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001725193983 1425744159 /nfs/dbraw/zinc/74/41/59/1425744159.db2.gz IJWYIRHDENYNEM-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CC2=CCCCC2)CCCCC1)[NH+](C)C ZINC001725223945 1425792794 /nfs/dbraw/zinc/79/27/94/1425792794.db2.gz QBJAMRYUSGJARE-GOSISDBHSA-N 2 0 335.536 3.236 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001725225352 1425793986 /nfs/dbraw/zinc/79/39/86/1425793986.db2.gz AFRAKBBPRHWJOU-SFHVURJKSA-N 2 0 337.552 3.317 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001725238366 1425833500 /nfs/dbraw/zinc/83/35/00/1425833500.db2.gz HCWVNXNQMJMSFX-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc(C[NH+]2CC([C@H](C)NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001725260853 1425891449 /nfs/dbraw/zinc/89/14/49/1425891449.db2.gz TXRBXRBJVHNOLV-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001725272105 1425907307 /nfs/dbraw/zinc/90/73/07/1425907307.db2.gz ROWNPWXUQCRYJU-MSOLQXFVSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001725339400 1425987840 /nfs/dbraw/zinc/98/78/40/1425987840.db2.gz UXJWCBLGNNNEEE-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CCC(C)(C)C)C1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001725425218 1426084161 /nfs/dbraw/zinc/08/41/61/1426084161.db2.gz KDQATHXENRHLDH-OALUTQOASA-N 2 0 349.563 3.362 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001725621743 1426285972 /nfs/dbraw/zinc/28/59/72/1426285972.db2.gz HMVNJYSMBRKZBB-AEFFLSMTSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)(C(=O)N[C@@H]1CC[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001725649282 1426331793 /nfs/dbraw/zinc/33/17/93/1426331793.db2.gz GKUPWUGQDCDMRE-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001725744020 1426420853 /nfs/dbraw/zinc/42/08/53/1426420853.db2.gz JUGARZYXYJUXCD-QGZVFWFLSA-N 2 0 339.568 3.419 10 0 EGAERP CC(C)CCC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001725763860 1426445668 /nfs/dbraw/zinc/44/56/68/1426445668.db2.gz KTNRFVORHWMRHS-NQIIRXRSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)C1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001725763884 1426445960 /nfs/dbraw/zinc/44/59/60/1426445960.db2.gz LDDIMGJIIFJGPF-XLIONFOSSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC[C@H]2CCC[C@H](C)C2)CC1 ZINC001725824211 1426497972 /nfs/dbraw/zinc/49/79/72/1426497972.db2.gz APZHUGHQYIAABW-RBUKOAKNSA-N 2 0 349.563 3.293 10 0 EGAERP Cc1cc(C)cc(C[N@H+](C)CCCNC(=O)CC[NH+]2CCCCC2)c1 ZINC001731286130 1427229534 /nfs/dbraw/zinc/22/95/34/1427229534.db2.gz GVLLRNAMFGLQCE-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001731298787 1427241406 /nfs/dbraw/zinc/24/14/06/1427241406.db2.gz ZNPPBYFHHUBCSM-QUCCMNQESA-N 2 0 345.531 3.194 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@H+](CC2CCCC2)C2CC2)C1 ZINC001731341742 1427280171 /nfs/dbraw/zinc/28/01/71/1427280171.db2.gz AYONPDYNLZOIDB-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001731387574 1427335303 /nfs/dbraw/zinc/33/53/03/1427335303.db2.gz QMZHJCPPNTZYSW-GOSISDBHSA-N 2 0 345.531 3.402 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001731430560 1427413144 /nfs/dbraw/zinc/41/31/44/1427413144.db2.gz ACSUPBYDMGVJKZ-VNTMZGSJSA-N 2 0 347.547 3.115 10 0 EGAERP CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731469325 1427450077 /nfs/dbraw/zinc/45/00/77/1427450077.db2.gz YJBJJMYZOKMLRC-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H]([NH2+]C[C@@H]1CCCN(C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001731528567 1427517817 /nfs/dbraw/zinc/51/78/17/1427517817.db2.gz BPDISVJXJWKNNO-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CCCC[NH+]1CC1CCCCC1 ZINC001731536244 1427533601 /nfs/dbraw/zinc/53/36/01/1427533601.db2.gz NBZWGVBFNRSEAP-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC=C(C)C ZINC001731552173 1427573869 /nfs/dbraw/zinc/57/38/69/1427573869.db2.gz RCNPTZLWBGOFTN-RBUKOAKNSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001731559968 1427593688 /nfs/dbraw/zinc/59/36/88/1427593688.db2.gz TZIFLHMLXJSHBK-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001731597170 1427639657 /nfs/dbraw/zinc/63/96/57/1427639657.db2.gz CESQBAMXKPEBSI-APWZRJJASA-N 2 0 343.515 3.033 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731600963 1427644232 /nfs/dbraw/zinc/64/42/32/1427644232.db2.gz KEVZQWCWLRXSEP-ROUUACIJSA-N 2 0 343.515 3.026 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001731661526 1427713486 /nfs/dbraw/zinc/71/34/86/1427713486.db2.gz DLYAATUCWZBRGI-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1 ZINC001731661524 1427713634 /nfs/dbraw/zinc/71/36/34/1427713634.db2.gz DLYAATUCWZBRGI-PMACEKPBSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001731781943 1427906890 /nfs/dbraw/zinc/90/68/90/1427906890.db2.gz AGBFQGWTSCIMPH-FHWLQOOXSA-N 2 0 345.531 3.143 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001731795263 1427947400 /nfs/dbraw/zinc/94/74/00/1427947400.db2.gz DCUFNFZPBXMCEV-UYAOXDASSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)Cc1ccc(C2CCCC2)cc1 ZINC001731795205 1427947622 /nfs/dbraw/zinc/94/76/22/1427947622.db2.gz CJJSSWSIWGNFTP-UHFFFAOYSA-N 2 0 345.531 3.232 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001731829272 1428036280 /nfs/dbraw/zinc/03/62/80/1428036280.db2.gz OPAAYPWVTUNHSD-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731853936 1428086079 /nfs/dbraw/zinc/08/60/79/1428086079.db2.gz ATXDAELJRBSJFS-WWAPKCSDSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001731854217 1428087122 /nfs/dbraw/zinc/08/71/22/1428087122.db2.gz MBBMCKGTGXLHBQ-UXHICEINSA-N 2 0 345.531 3.054 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CCC(C)(C)C ZINC001731870813 1428126956 /nfs/dbraw/zinc/12/69/56/1428126956.db2.gz PSSITAONHIZPNS-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001731882272 1428153494 /nfs/dbraw/zinc/15/34/94/1428153494.db2.gz JEELQGOYCMYSFY-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC[NH2+][C@H](C)c2cc(C)ccc2C)CC[N@@H+]1C ZINC001731913718 1428168787 /nfs/dbraw/zinc/16/87/87/1428168787.db2.gz RTNMSAIGVBBGMX-WSTZPKSXSA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733596951 1429795817 /nfs/dbraw/zinc/79/58/17/1429795817.db2.gz DJRZSSYODSHWTC-ZCNNSNEGSA-N 2 0 349.563 3.361 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCC3)C2)CC1 ZINC001733660617 1429853085 /nfs/dbraw/zinc/85/30/85/1429853085.db2.gz DWQXOAAVYLOLJR-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001733665022 1429858437 /nfs/dbraw/zinc/85/84/37/1429858437.db2.gz HMXHXRVPWMETSS-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001733690823 1429907399 /nfs/dbraw/zinc/90/73/99/1429907399.db2.gz RQOPLRSGWYJCAM-BHIYHBOVSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001733696202 1429914462 /nfs/dbraw/zinc/91/44/62/1429914462.db2.gz XOXBISGUQCSXTK-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CN(C(=O)C(C)(C)[NH+]3CCCC3)C2)CC1 ZINC001733696662 1429915112 /nfs/dbraw/zinc/91/51/12/1429915112.db2.gz VCEKGVSPKWGOAZ-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCC1([NH2+]CC(C)C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001733803791 1430072493 /nfs/dbraw/zinc/07/24/93/1430072493.db2.gz MAEFJNSKVRGZQK-LJQANCHMSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001733906922 1437724640 /nfs/dbraw/zinc/72/46/40/1437724640.db2.gz ALBYKEYPWLNVRJ-DOQDTIJOSA-N 2 0 343.515 3.059 10 0 EGAERP CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733919980 1437733653 /nfs/dbraw/zinc/73/36/53/1437733653.db2.gz QJRQWYFGTWXZSP-VOTSOKGWSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@H]1CCC[NH+]1C ZINC001733927492 1437740537 /nfs/dbraw/zinc/74/05/37/1437740537.db2.gz AZSXYSSZDBSOOH-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733936730 1437750872 /nfs/dbraw/zinc/75/08/72/1437750872.db2.gz JTOGIKLKFMGUEY-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001733940028 1437756250 /nfs/dbraw/zinc/75/62/50/1437756250.db2.gz FYVROSKEGBDSPR-WOJBJXKFSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([C@@H]2CCC[N@H+](CC3CCCC3)C2)CC1 ZINC001733941595 1437757515 /nfs/dbraw/zinc/75/75/15/1437757515.db2.gz NICBUCHCIVSYEJ-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH+](C)CC1CCC2(CC2)CC1 ZINC001733942942 1437759294 /nfs/dbraw/zinc/75/92/94/1437759294.db2.gz DXRVQECISPHISL-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006573 1437798523 /nfs/dbraw/zinc/79/85/23/1437798523.db2.gz PYXGNZZFICUOLO-IAGOWNOFSA-N 2 0 347.547 3.307 10 0 EGAERP C[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH+](C)CC1CCC(C)(C)CC1 ZINC001734056957 1437848412 /nfs/dbraw/zinc/84/84/12/1437848412.db2.gz ADYJQRFOKFTEBH-UWJYYQICSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[NH2+][C@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001734078662 1437866279 /nfs/dbraw/zinc/86/62/79/1437866279.db2.gz AUFOZTBHTGYRHO-RBUKOAKNSA-N 2 0 339.568 3.370 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC2CCCCCC2)CCCCC1 ZINC001734089215 1437873876 /nfs/dbraw/zinc/87/38/76/1437873876.db2.gz YYPBVPQNFCPPGW-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)C[NH+]2CCC(C)CC2)CCCCC1 ZINC001734096459 1437880474 /nfs/dbraw/zinc/88/04/74/1437880474.db2.gz PRACFSZAYGXPBY-UHFFFAOYSA-N 2 0 335.536 3.093 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H]1C[NH+](CCCC(C)C)CC1(C)C ZINC001734146191 1437914491 /nfs/dbraw/zinc/91/44/91/1437914491.db2.gz OUQYZRKYBHXZSF-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001734150398 1437917968 /nfs/dbraw/zinc/91/79/68/1437917968.db2.gz QKRNSXWLFYMEAV-MJGOQNOKSA-N 2 0 345.531 3.224 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001734189230 1437932121 /nfs/dbraw/zinc/93/21/21/1437932121.db2.gz OCVINBBVDTXSCE-GBESFXJTSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001734248397 1437962326 /nfs/dbraw/zinc/96/23/26/1437962326.db2.gz RSDTVZCYVUTQPG-SFHVURJKSA-N 2 0 345.531 3.244 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CC2CCC3(CC3)CC2)CC1 ZINC001734271638 1438001653 /nfs/dbraw/zinc/00/16/53/1438001653.db2.gz IJFGFGGNMYULQD-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CCCC1CCCC1)C1CCN(C(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001734275003 1438008728 /nfs/dbraw/zinc/00/87/28/1438008728.db2.gz XXBSQFIWMDQFLR-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001734285444 1438013287 /nfs/dbraw/zinc/01/32/87/1438013287.db2.gz SQYYSMLNVDOFKU-AZUAARDMSA-N 2 0 345.531 3.498 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001734444804 1438106152 /nfs/dbraw/zinc/10/61/52/1438106152.db2.gz KEWHAPJPTSEDEL-IPMKNSEASA-N 2 0 347.547 3.022 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001734557030 1438155803 /nfs/dbraw/zinc/15/58/03/1438155803.db2.gz VPAXEKICDXPXKX-RBUKOAKNSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C)C(C)(C)C ZINC001734565671 1438161502 /nfs/dbraw/zinc/16/15/02/1438161502.db2.gz ZUWWEXJOKCCPQW-RTBURBONSA-N 2 0 345.531 3.100 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C(C)(C)C ZINC001734570551 1438164611 /nfs/dbraw/zinc/16/46/11/1438164611.db2.gz NZBNZLOMALPHLR-LKGOPFMKSA-N 2 0 337.552 3.195 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001734571443 1438165416 /nfs/dbraw/zinc/16/54/16/1438165416.db2.gz URAZKXNDNOILEV-ROUUACIJSA-N 2 0 337.552 3.312 10 0 EGAERP CCc1cccc(C[N@@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001750929404 1440112323 /nfs/dbraw/zinc/11/23/23/1440112323.db2.gz DTBBKDOBFJYMFL-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001750935921 1440115023 /nfs/dbraw/zinc/11/50/23/1440115023.db2.gz GVUBZIBWWHPCJF-RJCMGOLDSA-N 2 0 335.536 3.140 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CC[NH+]1CCC(NC(=O)C2CCCCC2)CC1 ZINC000368450778 168357529 /nfs/dbraw/zinc/35/75/29/168357529.db2.gz LZUNKBKJIHKHRP-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](Cc1ccccc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377715576 169067747 /nfs/dbraw/zinc/06/77/47/169067747.db2.gz KOTCRPJWGSSZGW-VMSMKEMKSA-N 2 0 341.543 3.108 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@H](C)C1 ZINC000091739737 218055887 /nfs/dbraw/zinc/05/58/87/218055887.db2.gz UYQXTURJJIBELC-KDOFPFPSSA-N 2 0 331.435 3.343 10 0 EGAERP Cn1cncc1[C@@H]1C[C@@H]([NH2+]C2CC[NH+](C3CCCCC3)CC2)CCO1 ZINC000328622029 258035347 /nfs/dbraw/zinc/03/53/47/258035347.db2.gz AWZJZJKLRFYXFH-PXNSSMCTSA-N 2 0 346.519 3.027 10 0 EGAERP CCN(C(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1)[C@@H](C)c1ccc(F)cc1 ZINC000246983598 141047243 /nfs/dbraw/zinc/04/72/43/141047243.db2.gz SLZRTIBBTRSQGF-TXPKVOOTSA-N 2 0 349.494 3.150 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@@H]2C[NH+]3CCC2CC3)cc1 ZINC000347917518 141216204 /nfs/dbraw/zinc/21/62/04/141216204.db2.gz BOWIQSDWJVRISH-HXUWFJFHSA-N 2 0 343.515 3.085 10 0 EGAERP O=C(CCN1CC[C@H]2[C@H](CCC[N@@H+]2C2CC2)C1)c1ccc(F)cc1F ZINC000187307496 144156479 /nfs/dbraw/zinc/15/64/79/144156479.db2.gz MCKCUTLFNXSTBL-KUHUBIRLSA-N 2 0 348.437 3.486 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCOC3(CCCC3)C2)[C@@H](C)C1 ZINC000358293606 286064309 /nfs/dbraw/zinc/06/43/09/286064309.db2.gz AGYQXDKWMPHNJF-OTWHNJEPSA-N 2 0 338.536 3.205 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H](C)C2)C12CCOCC2 ZINC000186248709 286280525 /nfs/dbraw/zinc/28/05/25/286280525.db2.gz ZJCKIQJYJSETNJ-IPMKNSEASA-N 2 0 338.536 3.062 10 0 EGAERP Cc1cc(CN2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc(-c2ccc(Cl)cc2)n1 ZINC000193615677 153297054 /nfs/dbraw/zinc/29/70/54/153297054.db2.gz NBHAPCLCLFPQBQ-IYBDPMFKSA-N 2 0 342.874 3.099 10 0 EGAERP CCCn1cc(C[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cn1 ZINC000310280868 154142284 /nfs/dbraw/zinc/14/22/84/154142284.db2.gz WKKFEZBHTQYPMM-PXNSSMCTSA-N 2 0 326.488 3.293 10 0 EGAERP CCN(CC)c1ncc(CN2CCN(c3cnccc3C)CC2)s1 ZINC000343646404 164002432 /nfs/dbraw/zinc/00/24/32/164002432.db2.gz ZMIIJZKIFNTQGQ-UHFFFAOYSA-N 2 0 345.516 3.015 10 0 EGAERP CCO[C@@H]1C[C@@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000346164244 164354299 /nfs/dbraw/zinc/35/42/99/164354299.db2.gz HKFYKAHHAPNDMG-RTBURBONSA-N 2 0 340.471 3.355 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN1CCO[C@H](c2ccsc2)C1 ZINC000346232707 164361071 /nfs/dbraw/zinc/36/10/71/164361071.db2.gz YJCKRTFIEXZDDO-SFHVURJKSA-N 2 0 340.452 3.211 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(CCC[NH3+])c1cccc(F)c1 ZINC000346386223 164378538 /nfs/dbraw/zinc/37/85/38/164378538.db2.gz JVIXUMZPZAMBHY-UHFFFAOYSA-N 2 0 339.418 3.070 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355413777 166190553 /nfs/dbraw/zinc/19/05/53/166190553.db2.gz UVSYXSUMXMYYJM-GGPKGHCWSA-N 2 0 343.515 3.030 10 0 EGAERP Cc1cc([C@H]([NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)C2CC2)ccc1F ZINC000359378208 167140753 /nfs/dbraw/zinc/14/07/53/167140753.db2.gz BUZOSGWLGHXECH-UYAOXDASSA-N 2 0 334.479 3.412 10 0 EGAERP c1[nH]nc2c1CC[C@H]([NH2+][C@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731281 168039599 /nfs/dbraw/zinc/03/95/99/168039599.db2.gz CCGPNDHPMLDRAH-HAGHYFMRSA-N 2 0 336.483 3.052 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)[C@H]2CCC[C@H]21 ZINC000367600699 168247732 /nfs/dbraw/zinc/24/77/32/168247732.db2.gz ZIRSUFSYBARSLR-QHAWAJNXSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@H](CSC(C)(C)C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124697566 298872787 /nfs/dbraw/zinc/87/27/87/298872787.db2.gz HPSOYIKXIGBNBS-QGZVFWFLSA-N 2 0 341.609 3.447 10 0 EGAERP COc1cc([C@H](C)[NH2+]CCCC[N@H+]2C[C@@H](C)O[C@@H](C)C2)ccc1F ZINC000179412662 265374781 /nfs/dbraw/zinc/37/47/81/265374781.db2.gz XNUSSFHRMNUDNC-XHSDSOJGSA-N 2 0 338.467 3.374 10 0 EGAERP C[C@H](C(=O)NCCC1=CCCCC1)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000194737792 266142849 /nfs/dbraw/zinc/14/28/49/266142849.db2.gz QSIVCPBQBWLLLA-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]2C[N@H+](CCOc3ccc(Cl)cc3Cl)C[C@H]21 ZINC000228474020 266200496 /nfs/dbraw/zinc/20/04/96/266200496.db2.gz KDNMBRBATCZUIG-NJZAAPMLSA-N 2 0 329.271 3.431 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278576618 268044718 /nfs/dbraw/zinc/04/47/18/268044718.db2.gz XTQOUNFPWCRHAG-AVRDEDQJSA-N 3 0 341.543 3.361 10 0 EGAERP CO[C@@]1(C)C[C@@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C1(C)C ZINC000346181828 274073344 /nfs/dbraw/zinc/07/33/44/274073344.db2.gz VBHCDXDVTCORID-MJGOQNOKSA-N 2 0 328.460 3.211 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC1 ZINC000278879768 275283790 /nfs/dbraw/zinc/28/37/90/275283790.db2.gz XUAUNGGIZIRXTO-WKCHPHFGSA-N 3 0 325.500 3.034 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@@H]1CCC(C)(C)O1)C1CC[NH+](C)CC1 ZINC000189718472 277003028 /nfs/dbraw/zinc/00/30/28/277003028.db2.gz IPFJWWMKKYQQPO-IBGZPJMESA-N 2 0 345.531 3.264 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000266073757 279397415 /nfs/dbraw/zinc/39/74/15/279397415.db2.gz KXJDVPNLPQGNPC-YLJYHZDGSA-N 2 0 343.515 3.085 10 0 EGAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000414296324 309071116 /nfs/dbraw/zinc/07/11/16/309071116.db2.gz DWSJXTDWBHVMGL-RBUKOAKNSA-N 2 0 330.516 3.428 10 0 EGAERP OC[C@@H]1CCC[C@@H]([NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000414337734 309073775 /nfs/dbraw/zinc/07/37/75/309073775.db2.gz KYXWYJDSJOSAGU-ONUIULTDSA-N 2 0 328.500 3.323 10 0 EGAERP OCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000249058504 308017923 /nfs/dbraw/zinc/01/79/23/308017923.db2.gz ZKFNOXHXFKMMQA-OWZKRDHZSA-N 2 0 328.500 3.324 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)C[C@H](C)c2cccc(Cl)c2)CC1 ZINC000249855343 308028900 /nfs/dbraw/zinc/02/89/00/308028900.db2.gz PZUYTMSNTSELQP-JKSUJKDBSA-N 2 0 338.923 3.468 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)[C@@H](C)C1 ZINC000252696262 308032719 /nfs/dbraw/zinc/03/27/19/308032719.db2.gz XPYLUPPLGFCBLE-LAUBAEHRSA-N 2 0 346.515 3.202 10 0 EGAERP Cc1cc(C[N@H+](C)CCCN2CC[NH+](C)CC2)ccc1C(F)(F)F ZINC000414437349 309080007 /nfs/dbraw/zinc/08/00/07/309080007.db2.gz HWFBSFKCQMUBKX-UHFFFAOYSA-N 2 0 343.437 3.083 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000297260494 308515492 /nfs/dbraw/zinc/51/54/92/308515492.db2.gz PCSZIFZEHKDUCE-LJQANCHMSA-N 2 0 336.439 3.034 10 0 EGAERP COc1ccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c(OC)c1OC ZINC000414816315 309103428 /nfs/dbraw/zinc/10/34/28/309103428.db2.gz ZYJUXRIVECYXIS-ZDUSSCGKSA-N 2 0 330.428 3.022 10 0 EGAERP CCCc1cc(N2C[C@@H](C)[C@H]([NH+]3CCOCC3)C2)c2ccccc2[nH+]1 ZINC000301772577 308714623 /nfs/dbraw/zinc/71/46/23/308714623.db2.gz FCWCYTPDQTXOAC-IIBYNOLFSA-N 2 0 339.483 3.344 10 0 EGAERP C[C@H]1CC(C)(C)C[C@@H]1[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397554943 308904466 /nfs/dbraw/zinc/90/44/66/308904466.db2.gz KVVSYUPLVDGHIU-HKUYNNGSSA-N 2 0 330.516 3.428 10 0 EGAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)ccc1F ZINC000397514327 308904471 /nfs/dbraw/zinc/90/44/71/308904471.db2.gz QUFDCRWTNMETLE-UHFFFAOYSA-N 2 0 342.458 3.251 10 0 EGAERP OC1(C[NH2+]Cc2cccc(F)c2F)CC[NH+](Cc2ccccc2)CC1 ZINC000397575256 308904571 /nfs/dbraw/zinc/90/45/71/308904571.db2.gz BTDOZDQRMUCRJW-UHFFFAOYSA-N 2 0 346.421 3.082 10 0 EGAERP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400597401 308907681 /nfs/dbraw/zinc/90/76/81/308907681.db2.gz VXQGYEWDUWPFMO-IRXDYDNUSA-N 2 0 339.524 3.098 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414865215 309106315 /nfs/dbraw/zinc/10/63/15/309106315.db2.gz ZCMQZKPRDJGKJT-RYUDHWBXSA-N 2 0 329.257 3.108 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]C[C@H]1CCC[NH2+]C1 ZINC000414865211 309106319 /nfs/dbraw/zinc/10/63/19/309106319.db2.gz ZCMQZKPRDJGKJT-NEPJUHHUSA-N 2 0 329.257 3.108 10 0 EGAERP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C)ccc1OCC(F)(F)F ZINC000414938924 309110227 /nfs/dbraw/zinc/11/02/27/309110227.db2.gz ITPWMAVWEKYHKL-GXTWGEPZSA-N 2 0 346.393 3.114 10 0 EGAERP COc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1OCc1ccccc1 ZINC000414964323 309111939 /nfs/dbraw/zinc/11/19/39/309111939.db2.gz UVCGXZPGSCFOCQ-APWZRJJASA-N 2 0 340.467 3.362 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000415026480 309115008 /nfs/dbraw/zinc/11/50/08/309115008.db2.gz TXFGWMGPUSGURH-JOCQHMNTSA-N 2 0 341.293 3.312 10 0 EGAERP Cc1nn(-c2ccc(Cl)cc2)cc1C[N@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000415050908 309116641 /nfs/dbraw/zinc/11/66/41/309116641.db2.gz DVXGJWPYSGNDHO-FZKQIMNGSA-N 2 0 332.879 3.251 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCc3ccncc3)cc2)C[C@@]1(C)C[NH3+] ZINC000415052473 309116790 /nfs/dbraw/zinc/11/67/90/309116790.db2.gz HQPSMZUDCHDTCK-OXQOHEQNSA-N 2 0 325.456 3.077 10 0 EGAERP Clc1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)c(Cl)c1 ZINC000415053940 309116882 /nfs/dbraw/zinc/11/68/82/309116882.db2.gz NCQIAKQMJPOLLR-UHFFFAOYSA-N 2 0 342.314 3.299 10 0 EGAERP [NH3+]Cc1ccc(NC(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000415968580 309151974 /nfs/dbraw/zinc/15/19/74/309151974.db2.gz CLFKQORVOXDKAH-GOSISDBHSA-N 2 0 344.503 3.265 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)CC(C)C ZINC000416015703 309154747 /nfs/dbraw/zinc/15/47/47/309154747.db2.gz UFJMZHOQVXQMDO-GOSISDBHSA-N 2 0 332.492 3.168 10 0 EGAERP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)ccc2o1 ZINC000420394365 309286148 /nfs/dbraw/zinc/28/61/48/309286148.db2.gz KIOPKRRSMICATN-NVXWUHKLSA-N 2 0 342.439 3.183 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)nc2c1 ZINC000422699060 309363599 /nfs/dbraw/zinc/36/35/99/309363599.db2.gz CIHSOCSFPCSADJ-GVDBMIGSSA-N 2 0 326.488 3.396 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CC1 ZINC000422707654 309363967 /nfs/dbraw/zinc/36/39/67/309363967.db2.gz WVZAIPLDJRULOR-OAHLLOKOSA-N 2 0 330.394 3.081 10 0 EGAERP C[N@H+](CCN[C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C1CCCCC1 ZINC000422709007 309364098 /nfs/dbraw/zinc/36/40/98/309364098.db2.gz YGUPBEBLNAYNBW-PZJWPPBQSA-N 2 0 343.515 3.096 10 0 EGAERP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)cc2c1C ZINC000422723760 309365015 /nfs/dbraw/zinc/36/50/15/309365015.db2.gz SIUCSNPIPACGBG-GBESFXJTSA-N 2 0 327.472 3.031 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC000422739544 309366113 /nfs/dbraw/zinc/36/61/13/309366113.db2.gz LRVRIQRLDNNGJV-XJKSGUPXSA-N 2 0 343.309 3.114 10 0 EGAERP CCC[NH+]1CCC(CN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422746461 309366292 /nfs/dbraw/zinc/36/62/92/309366292.db2.gz WPCOKQWRBOJNHV-LEWJYISDSA-N 2 0 345.531 3.200 10 0 EGAERP c1ccc2c(c1)CC[C@H]([NH2+][C@H]1C[C@]3(CC[NH2+]C3)Oc3ccccc31)C2 ZINC000422750102 309366561 /nfs/dbraw/zinc/36/65/61/309366561.db2.gz CEEQWOZKLYASRW-VCOUNFBDSA-N 2 0 334.463 3.389 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422753839 309366700 /nfs/dbraw/zinc/36/67/00/309366700.db2.gz FERRIGFIZCBKMA-GUDVDZBRSA-N 2 0 332.488 3.147 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]C[C@@H](C)c2ccc(C)cc2)CC[NH2+]CC1 ZINC000422771130 309367429 /nfs/dbraw/zinc/36/74/29/309367429.db2.gz VKXGIECCNVCHBF-SJORKVTESA-N 2 0 332.488 3.010 10 0 EGAERP C[C@@H](C[NH2+]C1CCC(C[NH3+])CC1)Oc1cccc(Br)c1 ZINC000422793550 309368584 /nfs/dbraw/zinc/36/85/84/309368584.db2.gz FSINPJBFXAHBEL-OPFPJEHXSA-N 2 0 341.293 3.324 10 0 EGAERP CC[C@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Oc1ccccc1F ZINC000422814995 309369908 /nfs/dbraw/zinc/36/99/08/309369908.db2.gz ALNVIBXXFSTHSU-XJKSGUPXSA-N 2 0 331.435 3.496 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866357 309372657 /nfs/dbraw/zinc/37/26/57/309372657.db2.gz QGFZBZJQSGZPCZ-PJSAGSTRSA-N 2 0 329.394 3.278 10 0 EGAERP COc1ccc(CC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c(Cl)c1 ZINC000422889198 309374396 /nfs/dbraw/zinc/37/43/96/309374396.db2.gz OYCRYQGPNPUKKW-LBPRGKRZSA-N 2 0 333.863 3.404 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422895306 309374778 /nfs/dbraw/zinc/37/47/78/309374778.db2.gz FKWOJKGANBSQPR-SLFFLAALSA-N 2 0 342.531 3.472 10 0 EGAERP CC(C)[C@@H]1OCCC[C@@H]1C[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422916358 309376078 /nfs/dbraw/zinc/37/60/78/309376078.db2.gz AEVHOQZBDAFTQG-LGYWMIHWSA-N 2 0 344.499 3.283 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973009 309379180 /nfs/dbraw/zinc/37/91/80/309379180.db2.gz AWTHRVZFZJZNQZ-YSIASYRMSA-N 2 0 332.488 3.019 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCCC[NH2+]3)CC2)cc[nH+]1 ZINC000422985340 309379564 /nfs/dbraw/zinc/37/95/64/309379564.db2.gz DFLXIUVGHRIGBQ-QHAWAJNXSA-N 3 0 342.531 3.198 10 0 EGAERP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000423110098 309386556 /nfs/dbraw/zinc/38/65/56/309386556.db2.gz ULUPBSAJWKQPCC-SOUVJXGZSA-N 2 0 325.403 3.083 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)n1 ZINC000423134300 309387621 /nfs/dbraw/zinc/38/76/21/309387621.db2.gz LTXNZGYRBHDTBA-ZNMIVQPWSA-N 2 0 327.394 3.153 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCc3c(F)cccc32)CC[NH2+]CC1 ZINC000423142949 309388069 /nfs/dbraw/zinc/38/80/69/309388069.db2.gz BWITWMCDAGAYEU-KSSFIOAISA-N 2 0 348.462 3.114 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@@H]2[NH2+]CCOCC1CCCC1 ZINC000423157367 309388720 /nfs/dbraw/zinc/38/87/20/309388720.db2.gz ARHULHGZDDFTQJ-AZUAARDMSA-N 2 0 330.472 3.039 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+]CC[C@@H]1CCC[NH2+]C1)CCC2 ZINC000423257646 309392712 /nfs/dbraw/zinc/39/27/12/309392712.db2.gz KMWXOZSGAKIIEY-SWLSCSKDSA-N 2 0 327.394 3.457 10 0 EGAERP COc1ccc([C@H](NCc2ccc([C@@H](C)[NH3+])cc2)[C@H]2CCC[NH2+]2)cc1 ZINC000423290959 309394156 /nfs/dbraw/zinc/39/41/56/309394156.db2.gz GBSLBARUWQXWII-LPTQZCDUSA-N 2 0 339.483 3.298 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000449084873 310035838 /nfs/dbraw/zinc/03/58/38/310035838.db2.gz ZKDAETUJLGYCSG-PMACEKPBSA-N 2 0 343.559 3.404 10 0 EGAERP CC[NH+](CC)C[C@@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449132320 310039222 /nfs/dbraw/zinc/03/92/22/310039222.db2.gz UDCHEQRPIOLXRT-RTBURBONSA-N 2 0 331.548 3.402 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCC[C@H](O)C2)CC1 ZINC000449165452 310041596 /nfs/dbraw/zinc/04/15/96/310041596.db2.gz WCYLNPFHVKKCAX-QFUCXCTJSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCc2cscn2)CC1 ZINC000449170371 310042053 /nfs/dbraw/zinc/04/20/53/310042053.db2.gz QPPAEFFOXOVHGN-INIZCTEOSA-N 2 0 329.513 3.371 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCO[C@H]2CCOC2)CC1 ZINC000449189683 310043291 /nfs/dbraw/zinc/04/32/91/310043291.db2.gz MSMHKKXKXJGQET-SFHVURJKSA-N 2 0 340.552 3.451 10 0 EGAERP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449200409 310044018 /nfs/dbraw/zinc/04/40/18/310044018.db2.gz DUELKMWKMREEQU-YFVAEKQCSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000449254091 310047763 /nfs/dbraw/zinc/04/77/63/310047763.db2.gz WHCVNRPKWNJGRK-NSHGMRRFSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H](CO)CC2CCC2)CC1 ZINC000449304607 310051823 /nfs/dbraw/zinc/05/18/23/310051823.db2.gz ZNSWJLCVUQWKAS-UWJYYQICSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H]1C[N@H+](CC/C=C\c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450649111 310134927 /nfs/dbraw/zinc/13/49/27/310134927.db2.gz QAQSPBKGSZPQRQ-HXKSNXDFSA-N 2 0 327.516 3.048 10 0 EGAERP C[C@@H]1C[N@H+](CC/C=C/c2ccccc2)CC[C@@H]1N1CC[NH+](C)CC1 ZINC000450649113 310135034 /nfs/dbraw/zinc/13/50/34/310135034.db2.gz QAQSPBKGSZPQRQ-QAWDHVRNSA-N 2 0 327.516 3.048 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124898 310259526 /nfs/dbraw/zinc/25/95/26/310259526.db2.gz ITXZILBWDWWMSM-AEFFLSMTSA-N 2 0 344.503 3.095 10 0 EGAERP CC(C)[C@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(F)c(F)c1 ZINC000453272812 310268319 /nfs/dbraw/zinc/26/83/19/310268319.db2.gz VIMAWLZIDJBMAW-QAPCUYQASA-N 2 0 326.431 3.098 10 0 EGAERP Cc1cc(N2CC[NH+]3CCC2CC3)c2cc(OC(F)F)ccc2[nH+]1 ZINC000468596693 310691129 /nfs/dbraw/zinc/69/11/29/310691129.db2.gz LXJYYQIGTXXACH-UHFFFAOYSA-N 2 0 333.382 3.429 10 0 EGAERP CCc1cccnc1[C@H](C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000507515175 312075931 /nfs/dbraw/zinc/07/59/31/312075931.db2.gz UXLBOHDEVNOHTB-SFHVURJKSA-N 2 0 344.547 3.245 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)n1 ZINC000513335572 312207194 /nfs/dbraw/zinc/20/71/94/312207194.db2.gz QMIQNSZTNASZLQ-APWZRJJASA-N 2 0 331.504 3.265 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000514097871 312225065 /nfs/dbraw/zinc/22/50/65/312225065.db2.gz BXEVWUZBRLRTNG-OQIJWPOYSA-N 2 0 335.923 3.405 10 0 EGAERP CC[NH+](CC)CCn1ccc2cc(NC(=O)[C@@H]([NH3+])C3CCC3)ccc21 ZINC000516567422 312330059 /nfs/dbraw/zinc/33/00/59/312330059.db2.gz FCTXPJMGUCZORZ-IBGZPJMESA-N 2 0 342.487 3.049 10 0 EGAERP C[NH+](C)C[C@@H](NC1C[C@H]2CC[C@@H](C1)[NH2+]2)c1ccc(Cl)c(Cl)c1 ZINC000530223433 313500488 /nfs/dbraw/zinc/50/04/88/313500488.db2.gz JPEAQXYZBXHWKK-DVJFUJMWSA-N 2 0 342.314 3.469 10 0 EGAERP Cc1cccc(C)c1OCCC[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530238720 313503183 /nfs/dbraw/zinc/50/31/83/313503183.db2.gz BFZIMQOXVFIRBI-FQEVSTJZSA-N 2 0 346.515 3.163 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535777861 314073319 /nfs/dbraw/zinc/07/33/19/314073319.db2.gz ZSNGISCTBSTNQE-AWEZNQCLSA-N 2 0 327.875 3.157 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@H]2CCC[C@H]21 ZINC000552248423 315209307 /nfs/dbraw/zinc/20/93/07/315209307.db2.gz GWCANJYOYOVHKL-IXDOHACOSA-N 2 0 330.472 3.155 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](OC(C)C)C2)CC1 ZINC000563715833 316060705 /nfs/dbraw/zinc/06/07/05/316060705.db2.gz YNBYZFMNZNFEJW-HXUWFJFHSA-N 2 0 345.531 3.218 10 0 EGAERP CC1CC[NH+](C[C@@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000565098480 316264525 /nfs/dbraw/zinc/26/45/25/316264525.db2.gz KGNVYGOSQNQAGR-FQEVSTJZSA-N 2 0 341.543 3.276 10 0 EGAERP COC[C@H]1CCC[NH+](CCCC[N@H+]2CCC[C@H](COC)CC2)CC1 ZINC000570134531 317011957 /nfs/dbraw/zinc/01/19/57/317011957.db2.gz FXGDZWRTFXXUED-PMACEKPBSA-N 2 0 340.552 3.264 10 0 EGAERP CC[C@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)[C@H](O)C(F)F ZINC000571083724 317148615 /nfs/dbraw/zinc/14/86/15/317148615.db2.gz SOVWZZITINMPQG-ULQDDVLXSA-N 2 0 338.442 3.178 10 0 EGAERP C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000571516332 317210694 /nfs/dbraw/zinc/21/06/94/317210694.db2.gz QYEZLRCUAIVKRS-UWJYYQICSA-N 2 0 326.484 3.045 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000572953563 317415247 /nfs/dbraw/zinc/41/52/47/317415247.db2.gz KECMMWMDHVUQON-UHFFFAOYSA-N 2 0 339.430 3.003 10 0 EGAERP C[C@H]1C[C@H]1c1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000174581989 323308034 /nfs/dbraw/zinc/30/80/34/323308034.db2.gz NOYQHGJZCBCHDQ-PKOBYXMFSA-N 2 0 345.531 3.443 10 0 EGAERP C[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)C1CCN(Cc2ccccc2)CC1 ZINC000381696825 324247795 /nfs/dbraw/zinc/24/77/95/324247795.db2.gz FRSAVBONSAXRLP-UHFFFAOYSA-N 2 0 349.522 3.429 10 0 EGAERP c1ccc2c(c1)CC[C@H](C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)C2 ZINC000575085674 324413995 /nfs/dbraw/zinc/41/39/95/324413995.db2.gz WOLGKVXHRFNSBZ-FQEVSTJZSA-N 2 0 342.527 3.226 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]CC2CC[NH+](CC(=O)NC(C)(C)C)CC2)C1 ZINC000578373067 324959720 /nfs/dbraw/zinc/95/97/20/324959720.db2.gz SOWCFEPRQXCXAY-QFBILLFUSA-N 2 0 349.563 3.195 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@H]1CCc3nc[nH]c3C1)CCC2 ZINC000580250154 325223412 /nfs/dbraw/zinc/22/34/12/325223412.db2.gz YTHNQLABGOQCDA-SMDDNHRTSA-N 2 0 336.361 3.348 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000591657979 459419091 /nfs/dbraw/zinc/41/90/91/459419091.db2.gz PCGCAQZPYOGWMT-WBVHZDCISA-N 2 0 326.525 3.310 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)CC1(C)C ZINC000623440107 460551321 /nfs/dbraw/zinc/55/13/21/460551321.db2.gz JGNLZENMUXYBBK-HNNXBMFYSA-N 2 0 335.458 3.113 10 0 EGAERP C[C@@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469954 460566030 /nfs/dbraw/zinc/56/60/30/460566030.db2.gz XXALOAFXSFPCOS-LPHOPBHVSA-N 2 0 330.520 3.069 10 0 EGAERP Cc1nccn1-c1ccc([C@@H](C)NC(=O)c2c[nH+]ccc2N(C)C)cc1 ZINC000183600894 455310005 /nfs/dbraw/zinc/31/00/05/455310005.db2.gz FJFVPFPNNZQSKO-CQSZACIVSA-N 2 0 349.438 3.133 10 0 EGAERP C[C@H](CCc1ccccc1)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000069777290 454143586 /nfs/dbraw/zinc/14/35/86/454143586.db2.gz FZLQPGIORUSOGN-CTNGQTDRSA-N 2 0 329.532 3.110 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000071871028 454237791 /nfs/dbraw/zinc/23/77/91/454237791.db2.gz VYLUKSMTUQFEJP-AWEZNQCLSA-N 2 0 347.890 3.071 10 0 EGAERP CC[C@@H](C)NC(=O)[C@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691605 454299946 /nfs/dbraw/zinc/29/99/46/454299946.db2.gz FWBUTXWMNVSQQM-SJORKVTESA-N 2 0 331.504 3.065 10 0 EGAERP Fc1ccc(-c2ccc(C[NH2+]CCCC[NH+]3CCOCC3)o2)cc1 ZINC000060979403 454322779 /nfs/dbraw/zinc/32/27/79/454322779.db2.gz MMRHFOMQPSXDEN-UHFFFAOYSA-N 2 0 332.419 3.288 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000132431931 454338255 /nfs/dbraw/zinc/33/82/55/454338255.db2.gz LWRGXMXEQDZLSY-UXHICEINSA-N 2 0 333.520 3.008 10 0 EGAERP CCN1CCC[C@@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000133015390 454384889 /nfs/dbraw/zinc/38/48/89/454384889.db2.gz MILNEADOVQMODD-FUHWJXTLSA-N 2 0 342.487 3.134 10 0 EGAERP CCN1CCC[C@H]([NH2+][C@@H](C)c2ccc(OCc3nccn3C)cc2)C1 ZINC000133015230 454384946 /nfs/dbraw/zinc/38/49/46/454384946.db2.gz MILNEADOVQMODD-WMZOPIPTSA-N 2 0 342.487 3.134 10 0 EGAERP C[C@@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CCN1C ZINC000123330244 454626021 /nfs/dbraw/zinc/62/60/21/454626021.db2.gz IPYFOXMBTKSSAH-OCCSQVGLSA-N 2 0 341.858 3.222 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+][C@H]1CN(C(C)C)C[C@H]1C)CC3 ZINC000123452822 454639291 /nfs/dbraw/zinc/63/92/91/454639291.db2.gz PUDQIMBLEMFZFQ-PZPWOCDFSA-N 2 0 341.499 3.352 10 0 EGAERP CCc1cc(N2CCC[N@H+](Cc3cnn(C)c3)CC2)c2ccccc2[nH+]1 ZINC000124759415 454767458 /nfs/dbraw/zinc/76/74/58/454767458.db2.gz QORMXHMPDMXTTB-UHFFFAOYSA-N 2 0 349.482 3.243 10 0 EGAERP Cc1nccn1CCCC[NH+]1CCN(c2cccc(Cl)c2)CC1 ZINC000125445271 454823178 /nfs/dbraw/zinc/82/31/78/454823178.db2.gz ABOGXPNYZNQWDP-UHFFFAOYSA-N 2 0 332.879 3.447 10 0 EGAERP CCC[N@@H+]1CC[C@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000151106939 454938242 /nfs/dbraw/zinc/93/82/42/454938242.db2.gz ALEJOWHYCYIPPB-HXUWFJFHSA-N 2 0 329.532 3.015 10 0 EGAERP Fc1cc(C[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)ccc1Br ZINC000127395514 454960726 /nfs/dbraw/zinc/96/07/26/454960726.db2.gz LJLJMJVBKQZDBN-LBPRGKRZSA-N 2 0 327.241 3.162 10 0 EGAERP C[NH+]1CCN(c2cc[nH+]c(NCC34CC5CC(CC(C5)C3)C4)c2)CC1 ZINC000114701019 454970123 /nfs/dbraw/zinc/97/01/23/454970123.db2.gz OYFQSOGYBGQXLH-UHFFFAOYSA-N 2 0 340.515 3.462 10 0 EGAERP OC1(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCCC1 ZINC000180121614 455135170 /nfs/dbraw/zinc/13/51/70/455135170.db2.gz QYDHBOBGYOEKLI-IHWFROFDSA-N 2 0 328.500 3.467 10 0 EGAERP O[C@@H](C[NH2+]CC(c1ccccc1)c1ccccc1)C[NH+]1CCCCC1 ZINC000180215400 455148826 /nfs/dbraw/zinc/14/88/26/455148826.db2.gz FPNXLQQWMZIYCZ-NRFANRHFSA-N 2 0 338.495 3.255 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@H](O)COc2c(C)ccc(C)c2C)[C@@H](C)C1 ZINC000245440554 455300121 /nfs/dbraw/zinc/30/01/21/455300121.db2.gz UQZJVRILSPNCGC-IHPCNDPISA-N 2 0 348.531 3.014 10 0 EGAERP OC[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000245669382 455351675 /nfs/dbraw/zinc/35/16/75/455351675.db2.gz HFORQWFBEHVEQY-FCMAGTKHSA-N 2 0 328.500 3.323 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2cn(C)nc2-c2ccccc2)[C@@H](C)C1 ZINC000245860468 455386850 /nfs/dbraw/zinc/38/68/50/455386850.db2.gz OOTFGEFOYYYSLO-QFBILLFUSA-N 2 0 326.488 3.249 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)CN1CC[C@@H]2CC[NH+](C)C[C@H]21 ZINC000245932543 455402966 /nfs/dbraw/zinc/40/29/66/455402966.db2.gz IMVRDFSSWYOXHY-VQTJNVASSA-N 2 0 329.532 3.171 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCCc3nc(-c4ccccc4)no3)CC[C@H]21 ZINC000248130880 455686136 /nfs/dbraw/zinc/68/61/36/455686136.db2.gz OKIJDDKJXPFNTK-QZTJIDSGSA-N 2 0 340.471 3.085 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](CO)c1ccccc1 ZINC000269103916 455789635 /nfs/dbraw/zinc/78/96/35/455789635.db2.gz USDBAGXGVKUSDJ-QIJUGHKUSA-N 2 0 338.495 3.263 10 0 EGAERP COc1cc(CN(C[C@]2(C)CC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000261895963 455967123 /nfs/dbraw/zinc/96/71/23/455967123.db2.gz UWXCXSZKOUWVAO-GOSISDBHSA-N 2 0 340.414 3.261 10 0 EGAERP FC(F)(F)COCC[N@H+](Cc1ccsc1)[C@H]1CC12CC[NH2+]CC2 ZINC000262302952 456022649 /nfs/dbraw/zinc/02/26/49/456022649.db2.gz BBDKIYVLOJGYLP-AWEZNQCLSA-N 2 0 348.434 3.271 10 0 EGAERP C[C@H](Cc1cccc(C(F)(F)F)c1)[NH2+]CCCC[NH+]1CCOCC1 ZINC000281108545 456136836 /nfs/dbraw/zinc/13/68/36/456136836.db2.gz CDDATLKQCUABSJ-OAHLLOKOSA-N 2 0 344.421 3.338 10 0 EGAERP Cc1cccc2c(N3CCC[C@@H](C[NH+]4CCOCC4)C3)cc[nH+]c12 ZINC000301651725 456174206 /nfs/dbraw/zinc/17/42/06/456174206.db2.gz GJMVQEYIJPBHCI-KRWDZBQOSA-N 2 0 325.456 3.092 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@](C)(O)[C@@H](C)CC)CC1 ZINC000236783591 456184084 /nfs/dbraw/zinc/18/40/84/456184084.db2.gz AEYBAYWNRROVCP-GHTZIAJQSA-N 2 0 347.547 3.105 10 0 EGAERP CC[NH+](CC)Cc1ccc(CNC(=O)[C@@H]2C[C@@H]3CCCC[C@@H]3[NH2+]2)cc1 ZINC000236934108 456204499 /nfs/dbraw/zinc/20/44/99/456204499.db2.gz BEEDBNMDBYTOKI-UFYCRDLUSA-N 2 0 343.515 3.065 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)c1ccc(N2CCCC2=O)cc1 ZINC000297622590 456266026 /nfs/dbraw/zinc/26/60/26/456266026.db2.gz VZUOJQIYEPWVMP-OAHLLOKOSA-N 2 0 334.423 3.312 10 0 EGAERP CCc1nnc(CN[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)s1 ZINC000290216708 456269234 /nfs/dbraw/zinc/26/92/34/456269234.db2.gz QMAXHIJBMLCFOJ-GVDBMIGSSA-N 2 0 342.512 3.101 10 0 EGAERP c1ccc(C[N@H+]2CCCC[C@H]2CNC2CC[NH+](C3CC3)CC2)cc1 ZINC000298599621 456497717 /nfs/dbraw/zinc/49/77/17/456497717.db2.gz ZAKFQKXNVPINIL-NRFANRHFSA-N 2 0 327.516 3.258 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCCO1 ZINC000658320009 462476331 /nfs/dbraw/zinc/47/63/31/462476331.db2.gz LQMVTPQWMAGPKM-IHPCNDPISA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1C[NH2+][C@@H]1CC[NH+](C)[C@@H]2CCC[C@@H]21 ZINC000353458301 456700893 /nfs/dbraw/zinc/70/08/93/456700893.db2.gz BIEUZMOSLWFEFC-NJDAHSKKSA-N 2 0 329.532 3.489 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000353494454 456713111 /nfs/dbraw/zinc/71/31/11/456713111.db2.gz CTEXHFGDJFMKMP-GVDBMIGSSA-N 2 0 348.487 3.065 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@@H]2CCC[C@@H]21 ZINC000353498578 456716296 /nfs/dbraw/zinc/71/62/96/456716296.db2.gz RNRAIWDOHSSGJG-ZOBUZTSGSA-N 2 0 333.545 3.417 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)CC1 ZINC000348758090 456844070 /nfs/dbraw/zinc/84/40/70/456844070.db2.gz YHQFMRMNGBADGN-GIESBBMHSA-N 2 0 335.536 3.066 10 0 EGAERP C[C@H]([NH2+][C@H](CO)c1ccsc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000349309673 456937969 /nfs/dbraw/zinc/93/79/69/456937969.db2.gz DYEWJSGEKPOZAI-KBXCAEBGSA-N 2 0 334.485 3.073 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@H]1[C@@H]1CCCO1 ZINC000356516927 457031519 /nfs/dbraw/zinc/03/15/19/457031519.db2.gz BSROEFGLDWXNKF-RBUKOAKNSA-N 2 0 338.455 3.109 10 0 EGAERP COCCOCc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000342194151 457161443 /nfs/dbraw/zinc/16/14/43/457161443.db2.gz VNZZLSNODYYZIY-UHFFFAOYSA-N 2 0 334.504 3.060 10 0 EGAERP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCCC[NH2+]1 ZINC000390700595 457439272 /nfs/dbraw/zinc/43/92/72/457439272.db2.gz SZBINCTUYIEEFZ-KXEVLKFVSA-N 2 0 327.516 3.302 10 0 EGAERP OC1(C[NH2+]Cc2ccc(F)c(F)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397579337 457488877 /nfs/dbraw/zinc/48/88/77/457488877.db2.gz DYIQFCXESGBPQN-UHFFFAOYSA-N 2 0 346.421 3.082 10 0 EGAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1cccc(OC(F)(F)F)c1 ZINC000361012967 457511498 /nfs/dbraw/zinc/51/14/98/457511498.db2.gz LMHWJAZNXXPLAD-DZGCQCFKSA-N 2 0 346.393 3.347 10 0 EGAERP C[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)[C@@H]1CC[NH3+] ZINC000404440995 457544321 /nfs/dbraw/zinc/54/43/21/457544321.db2.gz URYSSDKSTNDVSL-UONOGXRCSA-N 2 0 334.489 3.180 10 0 EGAERP Cc1ccc(C2CCN([C@H](C)C(=O)Nc3nccs3)CC2)cn1 ZINC000374679621 457685644 /nfs/dbraw/zinc/68/56/44/457685644.db2.gz NZLUGEOKPJWFIK-CYBMUJFWSA-N 2 0 330.457 3.053 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@H]2O)CC1)c1cc2c(s1)CCC2 ZINC000358300488 457920288 /nfs/dbraw/zinc/92/02/88/457920288.db2.gz NVHPZGZCUVNRSC-IAOVAPTHSA-N 2 0 334.529 3.265 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000368106995 458011539 /nfs/dbraw/zinc/01/15/39/458011539.db2.gz CIINZDDAYGRKHJ-CTLHLVSWSA-N 2 0 331.548 3.222 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000423553191 458457355 /nfs/dbraw/zinc/45/73/55/458457355.db2.gz VWJDUEYHTKAVPC-XLSPSMHOSA-N 2 0 336.483 3.227 10 0 EGAERP CC[NH+](CC)Cc1cccc(CNC(=O)CC[C@H]2CCCC[N@@H+]2C)c1 ZINC000431761983 458619637 /nfs/dbraw/zinc/61/96/37/458619637.db2.gz WXRYWJPAQTYKCI-HXUWFJFHSA-N 2 0 345.531 3.409 10 0 EGAERP CC(C)(C)OC(=O)c1ccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000462789071 458653632 /nfs/dbraw/zinc/65/36/32/458653632.db2.gz DJXWJSHTMBOSOK-MRXNPFEDSA-N 2 0 330.472 3.216 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCN(C(=O)c2ccc3c[nH+]cn3c2)CC1 ZINC000456706724 458757495 /nfs/dbraw/zinc/75/74/95/458757495.db2.gz IXBTVVHAOPTSIS-UHFFFAOYSA-N 2 0 342.487 3.307 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+][C@@H]2CCC(=O)NC2(C)C)C1 ZINC000494885840 458761422 /nfs/dbraw/zinc/76/14/22/458761422.db2.gz KDRDTKFKRAJQBN-QFBILLFUSA-N 2 0 343.515 3.065 10 0 EGAERP Clc1ccc(-c2noc(CC[N@@H+]3CCC[C@]4(CC[NH2+]C4)C3)n2)cc1 ZINC000518348813 458859424 /nfs/dbraw/zinc/85/94/24/458859424.db2.gz CMWGCPSHFJGFQK-GOSISDBHSA-N 2 0 346.862 3.008 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000474923642 458906672 /nfs/dbraw/zinc/90/66/72/458906672.db2.gz HCBSPTPGDUZKMH-PZJWPPBQSA-N 2 0 331.548 3.432 10 0 EGAERP C/C(=C\c1ccc(Cl)cc1)C[NH2+]CCN1CC[N@@H+](C)C(C)(C)C1 ZINC000441349425 458925498 /nfs/dbraw/zinc/92/54/98/458925498.db2.gz SUAFVXOVEJTQCG-DTQAZKPQSA-N 2 0 335.923 3.359 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)[C@@H]2CCC[C@@H]21 ZINC000556872417 459025549 /nfs/dbraw/zinc/02/55/49/459025549.db2.gz ZXPGEEOEUXFNAN-UFYCRDLUSA-N 3 0 347.572 3.423 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532215155 459048924 /nfs/dbraw/zinc/04/89/24/459048924.db2.gz LANVJWVRQCKMHK-OAHLLOKOSA-N 2 0 329.488 3.344 10 0 EGAERP CCC[N@H+](CC)C[C@@H](C)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000521016420 459112880 /nfs/dbraw/zinc/11/28/80/459112880.db2.gz GOWDPFYEPSABFV-LJQANCHMSA-N 2 0 331.548 3.404 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000558652248 459189679 /nfs/dbraw/zinc/18/96/79/459189679.db2.gz HZVKPPRNWQEADA-ZWKOTPCHSA-N 2 0 343.515 3.019 10 0 EGAERP O[C@@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000521972508 459197595 /nfs/dbraw/zinc/19/75/95/459197595.db2.gz AJZKSYFKWRDUQO-OAQYLSRUSA-N 2 0 342.458 3.115 10 0 EGAERP C[C@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C[NH+]1CCCC1 ZINC000481325074 459245207 /nfs/dbraw/zinc/24/52/07/459245207.db2.gz SKUPPPFYJGWPMN-SFHLNBCPSA-N 2 0 329.532 3.219 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]CC(C(C)C)C(C)C)cn2)CC1 ZINC000560073635 459297996 /nfs/dbraw/zinc/29/79/96/459297996.db2.gz TXSSSUVIUUAGTE-UHFFFAOYSA-N 2 0 332.536 3.241 10 0 EGAERP c1ccc(CN2CCCO[C@H](C[NH+]3C[C@@H]4CCCC[C@H]4C3)C2)cc1 ZINC000560158883 459305944 /nfs/dbraw/zinc/30/59/44/459305944.db2.gz FPSRMACRRCAZFX-ACRUOGEOSA-N 2 0 328.500 3.400 10 0 EGAERP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000560539362 459369404 /nfs/dbraw/zinc/36/94/04/459369404.db2.gz IKTRBRWSPJODBJ-XUVXKRRUSA-N 2 0 346.515 3.373 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000591432783 459379736 /nfs/dbraw/zinc/37/97/36/459379736.db2.gz OQOGOPHFFWBMCO-FQEVSTJZSA-N 2 0 345.531 3.450 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCCCC3)cc2)C1 ZINC000561195340 459429139 /nfs/dbraw/zinc/42/91/39/459429139.db2.gz DLZIDNXUHLBPPX-GOSISDBHSA-N 2 0 343.515 3.021 10 0 EGAERP Oc1cccc2c1CC[C@@H]2[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000583198069 459500410 /nfs/dbraw/zinc/50/04/10/459500410.db2.gz CUSOKNPIYPHNCW-WAOWUJCRSA-N 2 0 336.435 3.225 10 0 EGAERP Cc1ccc2c(CC[NH2+]C3CC[NH+](CC4CC4)CC3)cn(C)c2c1 ZINC000525872203 459509031 /nfs/dbraw/zinc/50/90/31/459509031.db2.gz QWURFKUUFOWXRP-UHFFFAOYSA-N 2 0 325.500 3.493 10 0 EGAERP C[NH+](C)[C@@H](CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1)C1CC1 ZINC000583380939 459528119 /nfs/dbraw/zinc/52/81/19/459528119.db2.gz NTZIASFJKJQXDH-UXHICEINSA-N 2 0 327.516 3.113 10 0 EGAERP CN(c1ccccc1C[NH2+]CCOCC1CCC1)C1CC[NH+](C)CC1 ZINC000584265678 459693615 /nfs/dbraw/zinc/69/36/15/459693615.db2.gz IBMFDPIGZHZHNQ-UHFFFAOYSA-N 2 0 345.531 3.123 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@@H](C)CCC[C@@H]2C)o1 ZINC000593870611 460006858 /nfs/dbraw/zinc/00/68/58/460006858.db2.gz UHDFDTLQXPZRLP-HOTGVXAUSA-N 2 0 335.492 3.114 10 0 EGAERP C[N@@H+]1CC[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)CC1(C)C ZINC000623356539 460507047 /nfs/dbraw/zinc/50/70/47/460507047.db2.gz WEKNNTKZJZXWHO-HXUWFJFHSA-N 3 0 329.532 3.156 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCCOc2cccc3cccnc32)CC1(C)C ZINC000623417867 460537876 /nfs/dbraw/zinc/53/78/76/460537876.db2.gz UXGXKLZDVFBOJR-QGZVFWFLSA-N 2 0 327.472 3.466 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)[C@H]1CCCCO1 ZINC000623875128 460756765 /nfs/dbraw/zinc/75/67/65/460756765.db2.gz YNSXLPSWUVHHBC-TZIWHRDSSA-N 2 0 345.531 3.136 10 0 EGAERP CC[C@H](C)[N@H+](C)CCNc1nccc(N2Cc3ccccc3C2)n1 ZINC000623932010 460785631 /nfs/dbraw/zinc/78/56/31/460785631.db2.gz VDTOPAVFSFUMPP-HNNXBMFYSA-N 2 0 325.460 3.139 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CC[C@@H](c3ccc(C(F)(F)F)cc3)C2)CCOCC1 ZINC000629518913 460792685 /nfs/dbraw/zinc/79/26/85/460792685.db2.gz COEFXIAOZPMPPD-GDBMZVCRSA-N 2 0 342.405 3.439 10 0 EGAERP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CC1([NH3+])CCOCC1 ZINC000629521236 460794078 /nfs/dbraw/zinc/79/40/78/460794078.db2.gz OHFHEYPIUVABCH-HNNXBMFYSA-N 2 0 329.488 3.322 10 0 EGAERP Fc1cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c(F)cc1Br ZINC000629531646 460797904 /nfs/dbraw/zinc/79/79/04/460797904.db2.gz SPYBTMNLGWIQLS-JFGNBEQYSA-N 2 0 345.231 3.205 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000629528822 460797936 /nfs/dbraw/zinc/79/79/36/460797936.db2.gz KKBBHKOCTABIAN-CYBMUJFWSA-N 2 0 349.500 3.014 10 0 EGAERP Cc1cccc([C@H]([NH2+]C[C@H](O)[C@@H]([NH3+])Cc2ccccc2)C(C)C)c1 ZINC000629574264 460812252 /nfs/dbraw/zinc/81/22/52/460812252.db2.gz DLLGWIFOIIQXDP-PCCBWWKXSA-N 2 0 326.484 3.213 10 0 EGAERP C[NH+](C)Cc1cccc(C[NH2+]Cc2ccnn2CCc2ccccc2)c1 ZINC000621327567 460990562 /nfs/dbraw/zinc/99/05/62/460990562.db2.gz RZMMLJNOJHOEBE-UHFFFAOYSA-N 2 0 348.494 3.477 10 0 EGAERP Cc1cc(CN(C)[C@@H]2CC[N@H+](C)[C@@H](C)C2)ncc1Br ZINC000628183445 461035164 /nfs/dbraw/zinc/03/51/64/461035164.db2.gz BVWDQFRBATZTNV-GXTWGEPZSA-N 2 0 326.282 3.067 10 0 EGAERP CC1(C)CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000668109566 461108811 /nfs/dbraw/zinc/10/88/11/461108811.db2.gz GTTWTLUEQULSDB-AABGKKOBSA-N 2 0 328.500 3.444 10 0 EGAERP CCCCNC(=O)C1([NH2+]Cc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000662258841 461147454 /nfs/dbraw/zinc/14/74/54/461147454.db2.gz LZZWKZWQZKYGNI-UHFFFAOYSA-N 2 0 343.515 3.041 10 0 EGAERP C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccc2c(c1)CCC(=O)N2 ZINC000668162008 461148278 /nfs/dbraw/zinc/14/82/78/461148278.db2.gz LNRLSUWQZOBJNN-AWEZNQCLSA-N 2 0 347.422 3.003 10 0 EGAERP [NH3+]C[C@H](Cc1ccccc1)[C@H]1CCCC[N@@H+]1CCO[C@H]1CC1(F)F ZINC000662270845 461158251 /nfs/dbraw/zinc/15/82/51/461158251.db2.gz PVQWSXLYDSSHJS-KSZLIROESA-N 2 0 338.442 3.083 10 0 EGAERP [NH3+]C[C@H](Cc1ccccc1)[C@@H]1CCCC[N@@H+]1CCO[C@@H]1CC1(F)F ZINC000662270846 461158843 /nfs/dbraw/zinc/15/88/43/461158843.db2.gz PVQWSXLYDSSHJS-OKZBNKHCSA-N 2 0 338.442 3.083 10 0 EGAERP C[C@@H](c1ccsc1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662276952 461160423 /nfs/dbraw/zinc/16/04/23/461160423.db2.gz BIGUBGAVQSCZHT-INIZCTEOSA-N 2 0 341.524 3.273 10 0 EGAERP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)cc1 ZINC000662292632 461170271 /nfs/dbraw/zinc/17/02/71/461170271.db2.gz GNWGJDJXBCRBMP-KRWDZBQOSA-N 2 0 342.462 3.223 10 0 EGAERP C[C@@H]1CCC[N@H+](CC(=O)N[C@H]2CCCc3ccccc32)[C@@H]1CCC[NH3+] ZINC000662313706 461186542 /nfs/dbraw/zinc/18/65/42/461186542.db2.gz XQPUQGBXLUBXJV-LSTHTHJFSA-N 2 0 343.515 3.020 10 0 EGAERP c1c(C2CC[NH+](C[C@@H]3CC[C@@H]4C[C@@H]4C3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327492 461194901 /nfs/dbraw/zinc/19/49/01/461194901.db2.gz PKQSGOOSTXHLPS-LZQZEXGQSA-N 2 0 342.531 3.492 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)cc1 ZINC000659293861 461278551 /nfs/dbraw/zinc/27/85/51/461278551.db2.gz YXFKTVNKWXGJSV-AUUYWEPGSA-N 2 0 337.467 3.015 10 0 EGAERP C[C@@H](CNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)[N@@H+]1CCCC[C@H]1C ZINC000659292978 461279313 /nfs/dbraw/zinc/27/93/13/461279313.db2.gz SZVTVQFFBLQCBU-GJYPPUQNSA-N 2 0 343.515 3.058 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C[C@@H]3C[C@@H]3c3ccccc3)cc2)C1 ZINC000668489099 461303562 /nfs/dbraw/zinc/30/35/62/461303562.db2.gz BRZUUEIUTPJNOE-BHDDXSALSA-N 2 0 336.479 3.147 10 0 EGAERP CC(C)[C@H](O)[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1ccccc1 ZINC000668686919 461383213 /nfs/dbraw/zinc/38/32/13/461383213.db2.gz AMKQYQXXGRXPNC-RTWAWAEBSA-N 2 0 339.483 3.398 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2csc(COc3ccccc3)n2)C1 ZINC000655827311 461482744 /nfs/dbraw/zinc/48/27/44/461482744.db2.gz RFBYJQJPIMSQKQ-FZNQNYSPSA-N 2 0 331.485 3.152 10 0 EGAERP C[N@H+](CCN1CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1)Cc1ccccc1 ZINC000659913411 461494182 /nfs/dbraw/zinc/49/41/82/461494182.db2.gz YZDSWVBMHDFASF-VSKRKVRLSA-N 2 0 341.543 3.172 10 0 EGAERP CCc1nnc([C@H](C)[N@H+](CC)CC2CCN(c3ccccn3)CC2)[nH]1 ZINC000659974031 461525120 /nfs/dbraw/zinc/52/51/20/461525120.db2.gz WVJBRVGQHYKRIC-HNNXBMFYSA-N 2 0 342.491 3.062 10 0 EGAERP CC(C)(C)[C@@H](O)C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369054 461595029 /nfs/dbraw/zinc/59/50/29/461595029.db2.gz VZAGIQZZZZJICZ-OALUTQOASA-N 2 0 330.516 3.285 10 0 EGAERP OC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CCCC1 ZINC000663368864 461595552 /nfs/dbraw/zinc/59/55/52/461595552.db2.gz QADWBAGQAXXAQR-LJQANCHMSA-N 2 0 328.500 3.183 10 0 EGAERP CC[C@H]([NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@H]1CCCCO1 ZINC000656200593 461646186 /nfs/dbraw/zinc/64/61/86/461646186.db2.gz AOVUSFVJGCGWJB-ONCXSQPRSA-N 2 0 330.472 3.180 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)Cc1ccc(Br)c(F)c1 ZINC000663502121 461674719 /nfs/dbraw/zinc/67/47/19/461674719.db2.gz FWZWSPKJWJJUQB-IAQYHMDHSA-N 2 0 331.273 3.482 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@H]2CCCOC2)cc1 ZINC000656402295 461733118 /nfs/dbraw/zinc/73/31/18/461733118.db2.gz MURXGHMGVBCERT-TWGBQZSLSA-N 2 0 340.511 3.255 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@H]2CC[C@@H]3[N@H+](CC3CCOCC3)C2)cc1 ZINC000656402092 461734359 /nfs/dbraw/zinc/73/43/59/461734359.db2.gz LRVNCTPWVLLUTL-CMOCDZPBSA-N 2 0 340.511 3.255 10 0 EGAERP CC(C)c1nn(-c2ccccc2)cc1C[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000647548801 461761840 /nfs/dbraw/zinc/76/18/40/461761840.db2.gz VAAZWXFTRVZARI-ZHALLVOQSA-N 2 0 338.499 3.473 10 0 EGAERP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647550481 461763296 /nfs/dbraw/zinc/76/32/96/461763296.db2.gz SMRLYDWYBWATTF-LALPHHSUSA-N 2 0 327.241 3.066 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CCc2noc3ccccc23)[C@@H](C)C1 ZINC000653619964 461765578 /nfs/dbraw/zinc/76/55/78/461765578.db2.gz JYGILSFFHTXCJA-WMZOPIPTSA-N 2 0 345.487 3.097 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706900 461899015 /nfs/dbraw/zinc/89/90/15/461899015.db2.gz VFCGRZNIPRYJGM-ZVDOUQERSA-N 2 0 344.499 3.194 10 0 EGAERP CCO[C@@H]1C[N@H+](C[C@@H](C)c2ccc(C(F)(F)F)cc2)C[C@H]1C[NH3+] ZINC000650714045 461907077 /nfs/dbraw/zinc/90/70/77/461907077.db2.gz OQRLBCGRYMFXOO-XNRPHZJLSA-N 2 0 330.394 3.105 10 0 EGAERP CC[C@@H]([NH2+]C/C=C\C[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874088 461910324 /nfs/dbraw/zinc/91/03/24/461910324.db2.gz AWYSCRGEASISFR-DHLCPLLUSA-N 2 0 338.536 3.417 10 0 EGAERP CC(C)[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@@H]2CC2CCCC2)CC1 ZINC000653892239 461921559 /nfs/dbraw/zinc/92/15/59/461921559.db2.gz DIIFNVWCWQKDRW-LJQANCHMSA-N 2 0 335.536 3.020 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]C1(c2ccccc2Br)CCC1 ZINC000650741440 461928528 /nfs/dbraw/zinc/92/85/28/461928528.db2.gz DPXQRWBMVMLHGA-CYBMUJFWSA-N 2 0 341.293 3.172 10 0 EGAERP CN(CCC[NH+](C)C)CCNc1ncc(C(F)(F)F)cc1Cl ZINC000664248399 461995209 /nfs/dbraw/zinc/99/52/09/461995209.db2.gz ZYPWJGTVRZHNAI-UHFFFAOYSA-N 2 0 338.805 3.049 10 0 EGAERP CCc1ccc([C@@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)N(C)C)cc1 ZINC000657286307 462017768 /nfs/dbraw/zinc/01/77/68/462017768.db2.gz OKQPAXDCMLBUGN-OAQYLSRUSA-N 2 0 349.482 3.222 10 0 EGAERP CC(C)[C@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCC(C)CC1 ZINC000657309996 462034212 /nfs/dbraw/zinc/03/42/12/462034212.db2.gz VKMVHDGMXMNWQX-FQEVSTJZSA-N 2 0 341.503 3.113 10 0 EGAERP Cn1ncc(C2CCC2)c1C[NH2+]Cc1ccc(-n2ccnc2)c(F)c1 ZINC000657330076 462051017 /nfs/dbraw/zinc/05/10/17/462051017.db2.gz ZHHDSLQCUJLWMI-UHFFFAOYSA-N 2 0 339.418 3.302 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000657395301 462094950 /nfs/dbraw/zinc/09/49/50/462094950.db2.gz UDNMZEUANASFLJ-HKUYNNGSSA-N 2 0 347.466 3.020 10 0 EGAERP c1cc(C[NH2+]C[C@H]2CC[C@H](c3ccccc3)O2)n(-c2cc[nH+]cc2)n1 ZINC000657468191 462142286 /nfs/dbraw/zinc/14/22/86/462142286.db2.gz LKGACTCCGIFVDL-WOJBJXKFSA-N 2 0 334.423 3.277 10 0 EGAERP c1oc2ccccc2c1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657535321 462170521 /nfs/dbraw/zinc/17/05/21/462170521.db2.gz JKENAMFDBFROPS-UHFFFAOYSA-N 2 0 328.456 3.413 10 0 EGAERP COc1ccccc1/C=C\C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657534675 462171144 /nfs/dbraw/zinc/17/11/44/462171144.db2.gz CIKPOEWAHXESGH-XQRVVYSFSA-N 2 0 344.499 3.189 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c(F)c3)cc2)C1 ZINC000657594931 462197291 /nfs/dbraw/zinc/19/72/91/462197291.db2.gz LHODFVIVPDKJSA-KRWDZBQOSA-N 2 0 348.849 3.336 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)cc1 ZINC000657597022 462199836 /nfs/dbraw/zinc/19/98/36/462199836.db2.gz QTVQONXEHDBIIN-HRAATJIYSA-N 2 0 342.458 3.286 10 0 EGAERP CC(C)[C@@H]1C[C@@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648739617 462254734 /nfs/dbraw/zinc/25/47/34/462254734.db2.gz GJSSLVRUQFUSMX-ICSRJNTNSA-N 2 0 334.504 3.168 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CCOCC23CCCCC3)cc1 ZINC000648795750 462281837 /nfs/dbraw/zinc/28/18/37/462281837.db2.gz JROVKZOQTRHQDE-UHFFFAOYSA-N 2 0 332.488 3.162 10 0 EGAERP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)c1cc2cnccc2o1 ZINC000657864069 462301740 /nfs/dbraw/zinc/30/17/40/462301740.db2.gz NRGQNHYQGUKRRL-OAHLLOKOSA-N 2 0 342.487 3.037 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1ccc(-c2ccccc2)cn1)N1CC[NH+](C)CC1 ZINC000651707029 462309503 /nfs/dbraw/zinc/30/95/03/462309503.db2.gz WKGLJYMCJAQKOI-QZTJIDSGSA-N 2 0 338.499 3.035 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)(C)C(F)F ZINC000657969946 462332187 /nfs/dbraw/zinc/33/21/87/462332187.db2.gz WUKRRAHMMUXDDD-CZUORRHYSA-N 2 0 326.431 3.023 10 0 EGAERP CC[C@H](COCC1CC1)[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665236658 462363630 /nfs/dbraw/zinc/36/36/30/462363630.db2.gz RQCNXWVSAIFMEH-POAQFYNOSA-N 2 0 330.472 3.037 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C)n1 ZINC000658068719 462366016 /nfs/dbraw/zinc/36/60/16/462366016.db2.gz YOLKZKKFXLLOTO-INIZCTEOSA-N 2 0 331.504 3.240 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC000658071095 462367134 /nfs/dbraw/zinc/36/71/34/462367134.db2.gz UEPDYYXCOYRHCS-CQSZACIVSA-N 2 0 337.895 3.277 10 0 EGAERP Fc1cncc([C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C2CC2)c1 ZINC000658071521 462367766 /nfs/dbraw/zinc/36/77/66/462367766.db2.gz XKRGAWRCKQMUOY-FQEVSTJZSA-N 2 0 347.478 3.152 10 0 EGAERP CO[C@@H](C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)[C@H]1CCOC1 ZINC000658071958 462369085 /nfs/dbraw/zinc/36/90/85/462369085.db2.gz LBMKQRKXUSGCRU-WMZOPIPTSA-N 2 0 340.552 3.307 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@@H](C)COc1c(F)cccc1F ZINC000665261785 462375202 /nfs/dbraw/zinc/37/52/02/462375202.db2.gz LHTLMCJTEGOMNL-NWDGAFQWSA-N 2 0 335.398 3.245 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665276945 462380574 /nfs/dbraw/zinc/38/05/74/462380574.db2.gz POFCXAYCOLEAEA-GIVPXCGWSA-N 3 0 341.543 3.266 10 0 EGAERP COC[C@H]([NH2+]C1CC[NH+]([C@H]2CCC[C@@H](C)C2)CC1)C1CCOCC1 ZINC000658097547 462383725 /nfs/dbraw/zinc/38/37/25/462383725.db2.gz UOAIFPBPSAOARD-UXPWSPDFSA-N 2 0 338.536 3.061 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C)c3ccsc32)CC1 ZINC000665289712 462386916 /nfs/dbraw/zinc/38/69/16/462386916.db2.gz VLLONPWSNWWTSA-RHSMWYFYSA-N 2 0 349.544 3.267 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cccc(F)c1F ZINC000658140495 462403961 /nfs/dbraw/zinc/40/39/61/462403961.db2.gz URXBNCNIEGPAIM-PBHICJAKSA-N 2 0 346.421 3.382 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCCC34CCCC4)cc2)C1 ZINC000658140611 462404056 /nfs/dbraw/zinc/40/40/56/462404056.db2.gz VISKHWQJGZATFB-PMACEKPBSA-N 2 0 328.500 3.456 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000658141775 462404938 /nfs/dbraw/zinc/40/49/38/462404938.db2.gz UOENIQXOBPJIJI-QAPCUYQASA-N 2 0 330.497 3.474 10 0 EGAERP OCC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000652037251 462412637 /nfs/dbraw/zinc/41/26/37/462412637.db2.gz KKZALUVHEUCRBT-NJDAHSKKSA-N 2 0 342.527 3.429 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H](CO)CC2CC2)CC1 ZINC000658257041 462445331 /nfs/dbraw/zinc/44/53/31/462445331.db2.gz YOAYQCRQCFGAQE-FXAWDEMLSA-N 2 0 330.516 3.080 10 0 EGAERP CCn1c(C[N@@H+]2CCC[C@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(F)ccc21 ZINC000649417780 462504414 /nfs/dbraw/zinc/50/44/14/462504414.db2.gz GWGGLWLDPJORCZ-CVEARBPZSA-N 2 0 344.478 3.407 10 0 EGAERP COc1ccc(-c2cnc(C[NH+]3CCC(C[NH+](C)C)CC3)o2)cc1 ZINC000341181910 536495300 /nfs/dbraw/zinc/49/53/00/536495300.db2.gz GFNXEBWIFRSRBR-UHFFFAOYSA-N 2 0 329.444 3.124 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](CO)c2ccc(Cl)cc2)cc1 ZINC000093113815 546680578 /nfs/dbraw/zinc/68/05/78/546680578.db2.gz OVFVZHOUFRCRGL-IBGZPJMESA-N 2 0 348.874 3.104 10 0 EGAERP COc1ccc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)cc1OC(F)F ZINC000125633091 546752700 /nfs/dbraw/zinc/75/27/00/546752700.db2.gz SDFCCJSDROWSKT-LBPRGKRZSA-N 2 0 328.403 3.117 10 0 EGAERP Fc1cc(C[N@@H+]2CCC[C@@H]2Cn2ccnc2)ccc1OC(F)F ZINC000188420099 547148371 /nfs/dbraw/zinc/14/83/71/547148371.db2.gz IVDWTYRPBYWDKQ-CYBMUJFWSA-N 2 0 325.334 3.288 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)n1 ZINC000678428685 549490403 /nfs/dbraw/zinc/49/04/03/549490403.db2.gz RUIJEEMCSQSRGO-SFHVURJKSA-N 2 0 344.547 3.299 10 0 EGAERP c1ccc(C[NH+]2[C@@H]3CC[C@H]2C[C@H](N[C@@H]2CC[N@@H+](CC4CC4)C2)C3)cc1 ZINC000679393106 549703832 /nfs/dbraw/zinc/70/38/32/549703832.db2.gz FSHQNGQGCCKHEU-YSFYHYPLSA-N 2 0 339.527 3.256 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000680887251 549923054 /nfs/dbraw/zinc/92/30/54/549923054.db2.gz HZCUXFNCTVKMEA-QGZVFWFLSA-N 2 0 325.456 3.153 10 0 EGAERP CC(C)C[C@@H](C[N@H+](C)CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000685458465 550419128 /nfs/dbraw/zinc/41/91/28/550419128.db2.gz KZZMXSDHQQMQQC-NRFANRHFSA-N 2 0 331.548 3.386 10 0 EGAERP C[C@H]1C[C@H](N(C)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccccc1 ZINC000119370085 1293268168 /nfs/dbraw/zinc/26/81/68/1293268168.db2.gz DQULKTWGRDDRJW-PZJWPPBQSA-N 2 0 329.532 3.457 10 0 EGAERP COc1ccc(C[NH2+]C[C@@H]2CN(CC(C)C)CCO2)c2ccccc12 ZINC000237186645 1296225277 /nfs/dbraw/zinc/22/52/77/1296225277.db2.gz GHMYXUGHXWJLBS-GOSISDBHSA-N 2 0 342.483 3.295 10 0 EGAERP C[C@@H](CCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)OCc1ccccc1 ZINC000871784973 1296531551 /nfs/dbraw/zinc/53/15/51/1296531551.db2.gz MWBXZAQHYCNQSD-UXDRXVOSSA-N 2 0 345.487 3.353 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1CC[N@H+](CCc2ccccc2)C1)[C@@H]1CCCOC1 ZINC000872032537 1296681548 /nfs/dbraw/zinc/68/15/48/1296681548.db2.gz VXYGVRMECRZNGJ-NJYVYQBISA-N 2 0 330.516 3.346 10 0 EGAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CCCCc3ccccc3C2)CC1 ZINC000872047408 1296697404 /nfs/dbraw/zinc/69/74/04/1296697404.db2.gz BESQVRPVGFAMNK-FDFHNCONSA-N 2 0 342.527 3.292 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CCc1nc(-c2ccc(Cl)cc2)no1 ZINC000872155503 1296771697 /nfs/dbraw/zinc/77/16/97/1296771697.db2.gz NIWZAXGNMYUALI-UHFFFAOYSA-N 2 0 336.867 3.383 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000301704840 1296793193 /nfs/dbraw/zinc/79/31/93/1296793193.db2.gz BPEHACOALUQYBF-SJORKVTESA-N 2 0 339.524 3.098 10 0 EGAERP C(=C/[C@H]1CCC[NH2+]C1)\c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000872172250 1296794497 /nfs/dbraw/zinc/79/44/97/1296794497.db2.gz BIRYEERJBAKCJN-OJXHRBAXSA-N 2 0 338.455 3.345 10 0 EGAERP C[C@H]1C[C@H](NCCC[NH+]2CCC(C)CC2)C[N@@H+]1Cc1ccccc1 ZINC000379760288 1297541050 /nfs/dbraw/zinc/54/10/50/1297541050.db2.gz BAUYXZQKIVJEDH-FPOVZHCZSA-N 2 0 329.532 3.361 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]CCN(C(=O)OC(C)(C)C)C(C)C)CC1 ZINC000393910173 1297673589 /nfs/dbraw/zinc/67/35/89/1297673589.db2.gz MQLZKWWJYVVEEZ-UHFFFAOYSA-N 2 0 341.540 3.342 10 0 EGAERP OC1(C[NH+]2CC(c3ccccc3)C2)CC[NH+](Cc2ccccc2)CC1 ZINC000397552442 1297700856 /nfs/dbraw/zinc/70/08/56/1297700856.db2.gz YIKQXZTXNKLEEU-UHFFFAOYSA-N 2 0 336.479 3.113 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC2(CO1)CCOCC2)c1cccc(-n2ccnc2)c1 ZINC000878396436 1299970160 /nfs/dbraw/zinc/97/01/60/1299970160.db2.gz IKNNVCWTSQFAGP-APWZRJJASA-N 2 0 341.455 3.109 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]CCC1CC[NH+](C(C)C)CC1 ZINC000866468116 1330115992 /nfs/dbraw/zinc/11/59/92/1330115992.db2.gz AZOVJAYYHVREKM-INIZCTEOSA-N 2 0 326.525 3.454 10 0 EGAERP c1cc(CC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)sn1 ZINC000883247232 1302331530 /nfs/dbraw/zinc/33/15/30/1302331530.db2.gz CRHDBLCDCNEFOF-BCDXTJNWSA-N 2 0 327.497 3.471 10 0 EGAERP c1ccc2c(c1)CC[C@@H]2C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000895308485 1309277085 /nfs/dbraw/zinc/27/70/85/1309277085.db2.gz JTQNOPZYRNYULB-LJQANCHMSA-N 2 0 328.500 3.197 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+][C@H]3CCCc4cn[nH]c43)CC2)c1 ZINC000857851031 1328602696 /nfs/dbraw/zinc/60/26/96/1328602696.db2.gz FWAPHSIFEQATOE-KRWDZBQOSA-N 2 0 330.501 3.350 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140836 1328693374 /nfs/dbraw/zinc/69/33/74/1328693374.db2.gz IIIQDNVECDGJIN-CABCVRRESA-N 2 0 331.287 3.489 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(C(F)(F)F)cc2)CC1(C)C ZINC000858164239 1328700982 /nfs/dbraw/zinc/70/09/82/1328700982.db2.gz UOKRGPLFVBKMJO-LSDHHAIUSA-N 2 0 330.394 3.201 10 0 EGAERP CC[C@@H]1[C@@H]([NH2+][C@H]2CC[N@H+](CC)C[C@H]2C)CCN1C(=O)OC(C)(C)C ZINC000858501086 1328780841 /nfs/dbraw/zinc/78/08/41/1328780841.db2.gz XBXKBANMURIDTJ-LTIDMASMSA-N 2 0 339.524 3.094 10 0 EGAERP COCCCC[N@H+](C)Cc1ccc(C[NH+]2C[C@@H](C)O[C@@H](C)C2)cc1 ZINC000930859765 1328988958 /nfs/dbraw/zinc/98/89/58/1328988958.db2.gz YARZPQUDDAYSHS-HDICACEKSA-N 2 0 334.504 3.154 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000923026878 1322677541 /nfs/dbraw/zinc/67/75/41/1322677541.db2.gz CZVHGKQMVQTCDB-FQEVSTJZSA-N 2 0 344.499 3.353 10 0 EGAERP CC(C)([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)c(Cl)c1 ZINC000923317220 1322732802 /nfs/dbraw/zinc/73/28/02/1322732802.db2.gz CBUHQHXVFIDQBZ-LBPRGKRZSA-N 2 0 329.271 3.197 10 0 EGAERP c1csc(C[NH+](Cc2cccs2)C[C@@H]2CC3(C[NH2+]C3)CO2)c1 ZINC000923301993 1322729079 /nfs/dbraw/zinc/72/90/79/1322729079.db2.gz MXMSNWXFKLTLEP-AWEZNQCLSA-N 2 0 334.510 3.190 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1)c1cc(F)c(Cl)cc1Cl ZINC000923376103 1322742369 /nfs/dbraw/zinc/74/23/69/1322742369.db2.gz HVOPOSKTDBULLJ-ZJUUUORDSA-N 2 0 333.234 3.162 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1csc(-c3ccsc3)n1)CC2 ZINC000923448808 1322753591 /nfs/dbraw/zinc/75/35/91/1322753591.db2.gz HCJWIHWTNQODFW-OAHLLOKOSA-N 2 0 349.525 3.201 10 0 EGAERP CCc1nc(C(C)C)ccc1C[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923447437 1322753709 /nfs/dbraw/zinc/75/37/09/1322753709.db2.gz SQVZPHKGSJWTCJ-QGZVFWFLSA-N 2 0 331.504 3.097 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@@H]1C[NH3+] ZINC000923496057 1322761920 /nfs/dbraw/zinc/76/19/20/1322761920.db2.gz ZKJGSZQBZWJVGS-CHWSQXEVSA-N 2 0 348.288 3.414 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2ccccc21)[N@@H+]1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000923504118 1322764671 /nfs/dbraw/zinc/76/46/71/1322764671.db2.gz NYKYFQJTIJZBJF-VYDXJSESSA-N 2 0 325.456 3.084 10 0 EGAERP Cc1csc(C[C@@H]2CC[N@H+](Cc3ccc4c(c3)C[NH2+]CC4)C2)n1 ZINC000923550553 1322774231 /nfs/dbraw/zinc/77/42/31/1322774231.db2.gz DJKBAOFDKPJNKA-INIZCTEOSA-N 2 0 327.497 3.162 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@H]2CCOC23CCOCC3)c1 ZINC000924586113 1323064782 /nfs/dbraw/zinc/06/47/82/1323064782.db2.gz HCUBLYURIYOIGT-FQEVSTJZSA-N 2 0 344.499 3.100 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000924603318 1323070898 /nfs/dbraw/zinc/07/08/98/1323070898.db2.gz HERGCFBIDLYHFT-IBGZPJMESA-N 2 0 332.488 3.160 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2CCCN3CCCC[C@H]23)c1 ZINC000924672573 1323106311 /nfs/dbraw/zinc/10/63/11/1323106311.db2.gz UELSSKCJQMRBJJ-NHCUHLMSSA-N 2 0 346.515 3.346 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCc3c2nccc3Cl)C[C@@H](C)O1 ZINC000925438457 1325150319 /nfs/dbraw/zinc/15/03/19/1325150319.db2.gz AXVBKEQQZVZBIR-CKEIUWERSA-N 2 0 337.895 3.201 10 0 EGAERP C[C@@H]1C[NH+](CCCC[NH2+][C@@H]2CCC[C@@H]2Cc2ccccn2)C[C@@H](C)O1 ZINC000925441274 1325151568 /nfs/dbraw/zinc/15/15/68/1325151568.db2.gz YZZKSLOIQDNUST-ANTGDGSKSA-N 2 0 345.531 3.272 10 0 EGAERP CC1(C)[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925486968 1325172523 /nfs/dbraw/zinc/17/25/23/1325172523.db2.gz VAPKZIPSSMYFBT-OJLVUWQFSA-N 2 0 342.405 3.105 10 0 EGAERP COc1ccc(OC)c(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925504685 1325182455 /nfs/dbraw/zinc/18/24/55/1325182455.db2.gz LRWCPMNCCUGGSN-OALUTQOASA-N 2 0 332.488 3.004 10 0 EGAERP [NH3+]CCC[C@H]([NH2+][C@@H]1CCN(c2ncccc2Cl)C1)c1ccccc1 ZINC000925551159 1325204318 /nfs/dbraw/zinc/20/43/18/1325204318.db2.gz FKQYKTBKMXDHMU-AEFFLSMTSA-N 2 0 344.890 3.384 10 0 EGAERP COc1cc([C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553816 1325205511 /nfs/dbraw/zinc/20/55/11/1325205511.db2.gz SAIZBCKVKCNJIJ-CFVMTHIKSA-N 2 0 336.476 3.269 10 0 EGAERP c1cc(C[NH+]2CCSCC2)cc(N[C@@H]2CC[NH2+]C23CCCC3)c1 ZINC000925604405 1325229014 /nfs/dbraw/zinc/22/90/14/1325229014.db2.gz YIPDZPIYWPTLIJ-GOSISDBHSA-N 2 0 331.529 3.322 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccco1 ZINC000925617014 1325233001 /nfs/dbraw/zinc/23/30/01/1325233001.db2.gz PDPVZDLDHGODGC-GUDVDZBRSA-N 2 0 333.520 3.420 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000925631913 1325238866 /nfs/dbraw/zinc/23/88/66/1325238866.db2.gz YUXZNTMGPODTRV-ZTFGCOKTSA-N 2 0 340.870 3.270 10 0 EGAERP OC[C@]1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)C[C@H]1c1ccc(F)cc1 ZINC000925651297 1325247033 /nfs/dbraw/zinc/24/70/33/1325247033.db2.gz ABSPPFRLVHKNJV-UWHLTILDSA-N 2 0 346.490 3.050 10 0 EGAERP C[NH+](C)C[C@@H](N[C@@H]1CC[NH2+]C12CCC2)c1cccc(C(F)(F)F)c1 ZINC000925725349 1325270563 /nfs/dbraw/zinc/27/05/63/1325270563.db2.gz SIMGXKZKQYGPFZ-HZPDHXFCSA-N 2 0 341.421 3.182 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccccc2)c2ccc(Cl)cc2)CC1 ZINC000925815446 1325313490 /nfs/dbraw/zinc/31/34/90/1325313490.db2.gz QZQLYYUTIPUVRE-FQEVSTJZSA-N 2 0 343.902 3.442 10 0 EGAERP COc1ccc([C@H](C)[C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)cc1OC ZINC000925841598 1325323719 /nfs/dbraw/zinc/32/37/19/1325323719.db2.gz RABYZWUOPKBGQX-PBGAUENZSA-N 2 0 332.488 3.318 10 0 EGAERP CC1(C)[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C[C@H]1c1ccccc1 ZINC000925843996 1325325800 /nfs/dbraw/zinc/32/58/00/1325325800.db2.gz HUHMXLDMKDRELW-VQTJNVASSA-N 2 0 329.532 3.234 10 0 EGAERP COc1cc(C)c([C@H](C)[NH2+]CCCCCN2CC[NH2+]CC2)cc1C ZINC000925846629 1325326897 /nfs/dbraw/zinc/32/68/97/1325326897.db2.gz WDZITCKSAPZFOI-SFHVURJKSA-N 2 0 333.520 3.038 10 0 EGAERP C[C@H]([NH2+]C[C@]12CCC[C@H]1[NH2+]CC2)c1ccc(NC(=O)NC2CC2)cc1 ZINC000925845165 1325327195 /nfs/dbraw/zinc/32/71/95/1325327195.db2.gz XIOMAZGHQABGIX-BOUXLOLZSA-N 2 0 342.487 3.153 10 0 EGAERP C[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccccc1OC(F)F ZINC000925848310 1325328384 /nfs/dbraw/zinc/32/83/84/1325328384.db2.gz FHOQNOYFYBUXGE-HNNXBMFYSA-N 2 0 341.446 3.014 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nc2ccccc2n1C ZINC000925886759 1325343581 /nfs/dbraw/zinc/34/35/81/1325343581.db2.gz KUCRDNNHUQTFFL-HZUJVAHNSA-N 2 0 334.467 3.283 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@]3(C)CC[N@H+](Cc4ccccc4)C3)C2)CO1 ZINC000926350748 1325524454 /nfs/dbraw/zinc/52/44/54/1325524454.db2.gz GMZVZXVLRWEATG-PPXMBRMGSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@@H]([NH2+]Cc1cnc(C(F)(F)F)nc1)c1cccc(C[NH+](C)C)c1 ZINC000926676262 1327661962 /nfs/dbraw/zinc/66/19/62/1327661962.db2.gz MEKISWNSJZDDKL-GFCCVEGCSA-N 2 0 338.377 3.408 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](CC2CC2)CC1)c1ccnn1CC1CCC1 ZINC000926732006 1327689166 /nfs/dbraw/zinc/68/91/66/1327689166.db2.gz NWUUAGOCKIBTJL-INIZCTEOSA-N 2 0 330.520 3.456 10 0 EGAERP C[C@@H]1CC2(CC([NH2+]C[C@H]3C[N@H+](Cc4ccccc4)C[C@H]3C)C2)CO1 ZINC000926777574 1327711660 /nfs/dbraw/zinc/71/16/60/1327711660.db2.gz KGVMKIKEFSOUIO-RAYIQMRBSA-N 2 0 328.500 3.302 10 0 EGAERP CC(C)CC[NH+]1CCC(N[C@@H](CC[NH+](C)C)c2cccnc2)CC1 ZINC000926896778 1327764095 /nfs/dbraw/zinc/76/40/95/1327764095.db2.gz GMVQMNNJEYDSML-FQEVSTJZSA-N 2 0 332.536 3.175 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000926938177 1327784916 /nfs/dbraw/zinc/78/49/16/1327784916.db2.gz SVANKGRCSACTHF-URZNZNTCSA-N 2 0 326.484 3.078 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000927036178 1327825017 /nfs/dbraw/zinc/82/50/17/1327825017.db2.gz FRBKTIIASYEZOX-GPWPYBQESA-N 2 0 343.471 3.075 10 0 EGAERP CC(=O)NCC1CCC([NH2+]C[C@H]2CCC[N@@H+]2C2CCCCC2)CC1 ZINC000865553355 1329712972 /nfs/dbraw/zinc/71/29/72/1329712972.db2.gz NSPZOZNCTYBFDF-AFMYVXGZSA-N 2 0 335.536 3.068 10 0 EGAERP c1nn2c(c1C[NH2+]CCC1CC[NH+](Cc3ccccc3)CC1)CCC2 ZINC000865717505 1329732113 /nfs/dbraw/zinc/73/21/13/1329732113.db2.gz CQNAVDIZQXZRKI-UHFFFAOYSA-N 2 0 338.499 3.221 10 0 EGAERP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCC(C)([NH+](C)C)CC2)c1C ZINC000865764717 1329736357 /nfs/dbraw/zinc/73/63/57/1329736357.db2.gz MVMAKUIUKKTBCK-UHFFFAOYSA-N 2 0 335.492 3.161 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866230921 1330081393 /nfs/dbraw/zinc/08/13/93/1330081393.db2.gz IJDBJRQKDPDPKX-OXJNMPFZSA-N 2 0 333.495 3.066 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@H](C1CCC1)[C@H]1CCCO1 ZINC000866248635 1330085263 /nfs/dbraw/zinc/08/52/63/1330085263.db2.gz QFWSXVBVFNLZCD-WOJBJXKFSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1ccc(OCC[NH+](C)C)cc1 ZINC000866529155 1330122170 /nfs/dbraw/zinc/12/21/70/1330122170.db2.gz MTXHAHQWMPLGFI-HKUYNNGSSA-N 2 0 346.515 3.484 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H]2c2cncc(C)c2)cc1 ZINC000866719710 1330144515 /nfs/dbraw/zinc/14/45/15/1330144515.db2.gz BWXXHSLNUAMZDD-QUCCMNQESA-N 2 0 325.456 3.278 10 0 EGAERP CC[C@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001323162586 1387305014 /nfs/dbraw/zinc/30/50/14/1387305014.db2.gz RFNFUFJRLCMHPU-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001323519490 1387380245 /nfs/dbraw/zinc/38/02/45/1387380245.db2.gz OANJJECFNUEDAR-SFHVURJKSA-N 2 0 335.536 3.068 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[NH+](C)C3CCC3)CC2)C1 ZINC001323638649 1387414465 /nfs/dbraw/zinc/41/44/65/1387414465.db2.gz UBHZNGJYJKHOPM-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001323813941 1387466116 /nfs/dbraw/zinc/46/61/16/1387466116.db2.gz VTIPOYRVQSREGN-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001323871835 1387484444 /nfs/dbraw/zinc/48/44/44/1387484444.db2.gz GCLZTXAQOJVFBE-HRSGFYEVSA-N 2 0 347.547 3.142 10 0 EGAERP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001324030182 1387513533 /nfs/dbraw/zinc/51/35/33/1387513533.db2.gz GSRDYAUIRDJOGY-LJQANCHMSA-N 2 0 337.552 3.076 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCC[C@H]2C[NH2+]CCC(C)(C)C)c1 ZINC001324273695 1387577521 /nfs/dbraw/zinc/57/75/21/1387577521.db2.gz ODWQOOZKXKANLV-IBGZPJMESA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)C1CCCC1 ZINC001324484500 1387642605 /nfs/dbraw/zinc/64/26/05/1387642605.db2.gz VVWPCDZNEHTVCD-MOPGFXCFSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCC2)CC1 ZINC001324498506 1387652726 /nfs/dbraw/zinc/65/27/26/1387652726.db2.gz VSGIJEKMVXQBHM-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001324752150 1387760354 /nfs/dbraw/zinc/76/03/54/1387760354.db2.gz OYLFYYPDUWEOHH-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001324886132 1387806676 /nfs/dbraw/zinc/80/66/76/1387806676.db2.gz HQJWPYKYGBAXMI-GOSISDBHSA-N 2 0 345.531 3.226 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001324975296 1387864497 /nfs/dbraw/zinc/86/44/97/1387864497.db2.gz DZWSFLBJMVWFIZ-RTWAWAEBSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)C[N@H+](C[C@@H]1COC2(CCCCC2)O1)CC1CC[NH+](C)CC1 ZINC001197193550 1368762493 /nfs/dbraw/zinc/76/24/93/1368762493.db2.gz CNHKUUIROOATOE-LJQANCHMSA-N 2 0 338.536 3.362 10 0 EGAERP c1c(CNC[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]nc1-c1ccccn1 ZINC001202227843 1369718417 /nfs/dbraw/zinc/71/84/17/1369718417.db2.gz PDCLIUYAAWDOOT-SFHVURJKSA-N 2 0 347.466 3.083 10 0 EGAERP COc1cccc(N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)c1 ZINC001119699181 1371389889 /nfs/dbraw/zinc/38/98/89/1371389889.db2.gz KTODEAOSYAXDKX-NVXWUHKLSA-N 2 0 331.504 3.160 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CCCCC2)C1 ZINC001326285634 1388142025 /nfs/dbraw/zinc/14/20/25/1388142025.db2.gz GEKVJKLUPQTOEG-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001327156493 1388411233 /nfs/dbraw/zinc/41/12/33/1388411233.db2.gz LQTRKNWAWNQENT-PXPVJAHISA-N 2 0 335.536 3.045 10 0 EGAERP CN(CCC[N@H+](C)CC1CC2(CCC2)C1)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001327213434 1388446891 /nfs/dbraw/zinc/44/68/91/1388446891.db2.gz RCAQOKJTPPDNTO-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001264122183 1377140031 /nfs/dbraw/zinc/14/00/31/1377140031.db2.gz HRSNDWNWYSSEAU-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001265921615 1377172186 /nfs/dbraw/zinc/17/21/86/1377172186.db2.gz SQQDZTFRAHYUIA-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001266119510 1377195247 /nfs/dbraw/zinc/19/52/47/1377195247.db2.gz GSELDDULLJULKH-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CC1=CCCCC1)C1CC1 ZINC001266138445 1377203167 /nfs/dbraw/zinc/20/31/67/1377203167.db2.gz HHLNMMSJFSIWDF-FQEVSTJZSA-N 2 0 347.547 3.330 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001266221866 1377233307 /nfs/dbraw/zinc/23/33/07/1377233307.db2.gz JTMXIYUYMKFOOO-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CC(C)(C)C1)[NH+](C)C ZINC001266223688 1377235731 /nfs/dbraw/zinc/23/57/31/1377235731.db2.gz VJVUCBWNXIHMMO-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266233495 1377239758 /nfs/dbraw/zinc/23/97/58/1377239758.db2.gz LRWPQMUVBHEFBU-DKFQHHCZSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H]1CCCc2ccccc21 ZINC001266579562 1377336998 /nfs/dbraw/zinc/33/69/98/1377336998.db2.gz TUHYMCDERRSDII-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3=CCCCC3)C2)CC1 ZINC001267086170 1377411462 /nfs/dbraw/zinc/41/14/62/1377411462.db2.gz MUNPZIHMQCYHFE-RTBURBONSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H]2CCC[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001267090080 1377411790 /nfs/dbraw/zinc/41/17/90/1377411790.db2.gz UVKMWRODTNMCTG-WOJBJXKFSA-N 2 0 345.531 3.279 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001267603911 1377463926 /nfs/dbraw/zinc/46/39/26/1377463926.db2.gz HFECOZAQTCUYAT-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCN(C(=O)[C@H](CC(C)C)n1ccnc1)[C@H]1CC[N@H+](CCC2CC2)C1 ZINC001269331927 1377550404 /nfs/dbraw/zinc/55/04/04/1377550404.db2.gz PKVODUNPKLCCKM-OALUTQOASA-N 2 0 346.519 3.193 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001327477798 1388530177 /nfs/dbraw/zinc/53/01/77/1388530177.db2.gz BVQVFNADDSDQKQ-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001274434241 1378124793 /nfs/dbraw/zinc/12/47/93/1378124793.db2.gz BWXMIOTXEDCGLJ-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001275657227 1378150170 /nfs/dbraw/zinc/15/01/70/1378150170.db2.gz BYZUHOSQEHLKIW-YOEHRIQHSA-N 2 0 347.528 3.178 10 0 EGAERP CC[NH+]1CCC(CCCCCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001327499132 1388537413 /nfs/dbraw/zinc/53/74/13/1388537413.db2.gz GVXJJYLYHJGNCW-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001277699903 1378247247 /nfs/dbraw/zinc/24/72/47/1378247247.db2.gz VGIHTCDPDPTKTA-UHFFFAOYSA-N 2 0 347.547 3.286 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCCCF)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001277764521 1378248528 /nfs/dbraw/zinc/24/85/28/1378248528.db2.gz VQQJFSHFKXAHHC-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP O=C([C@H]1CC[C@H]2CCCC[N@@H+]21)N(CC[NH+]1CCCCCC1)C1CCC1 ZINC001141669459 1378360634 /nfs/dbraw/zinc/36/06/34/1378360634.db2.gz RQDNQRNTSSMGKK-WOJBJXKFSA-N 2 0 347.547 3.260 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001282275223 1378494203 /nfs/dbraw/zinc/49/42/03/1378494203.db2.gz VFEKGRBJAKWKIT-CTWPCTMYSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CC3=CCCCC3)C2)C1 ZINC001327539489 1388554765 /nfs/dbraw/zinc/55/47/65/1388554765.db2.gz ASMBSTQKKMBGDO-OAQYLSRUSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1)c1ccccc1 ZINC001282619465 1378518512 /nfs/dbraw/zinc/51/85/12/1378518512.db2.gz VEUNDUDNXMZDPN-QGZVFWFLSA-N 2 0 331.504 3.108 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282648231 1378522454 /nfs/dbraw/zinc/52/24/54/1378522454.db2.gz RJHHJJXNPUYRDZ-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CCCC2CCCC2)CC1(C)C ZINC001282830547 1378632091 /nfs/dbraw/zinc/63/20/91/1378632091.db2.gz BIYLARBJDMQCRL-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001283051585 1378717402 /nfs/dbraw/zinc/71/74/02/1378717402.db2.gz APVVFWDOQINUHS-VJANTYMQSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](F)CC[N@H+](C)C1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001283333778 1378816171 /nfs/dbraw/zinc/81/61/71/1378816171.db2.gz DJGMONORSKJZSN-INIZCTEOSA-N 2 0 349.494 3.033 10 0 EGAERP CCCCCC[NH2+][C@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283678058 1379106800 /nfs/dbraw/zinc/10/68/00/1379106800.db2.gz LMCKPMFRGSWVHL-VQIMIIECSA-N 2 0 343.531 3.216 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C[NH+]2CCCC2)cc1 ZINC001283714873 1379138176 /nfs/dbraw/zinc/13/81/76/1379138176.db2.gz PYPKQDMKVOUIRY-MSOLQXFVSA-N 2 0 345.531 3.403 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001284019305 1379368283 /nfs/dbraw/zinc/36/82/83/1379368283.db2.gz XQGXAXVGQNFDOU-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001284132367 1379515457 /nfs/dbraw/zinc/51/54/57/1379515457.db2.gz PYKMBOSHEDNRED-UCHJRYNZSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCCC2)C(C)(C)C1 ZINC001284321629 1379711735 /nfs/dbraw/zinc/71/17/35/1379711735.db2.gz BTLGMQCPDMKTPP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001284346479 1379744094 /nfs/dbraw/zinc/74/40/94/1379744094.db2.gz IMUBGSOISLMZAR-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001284350304 1379749403 /nfs/dbraw/zinc/74/94/03/1379749403.db2.gz ULBVVSPZNNSCRJ-OVKVCFKUSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)C[NH+]1CCCC1 ZINC001284559807 1379969586 /nfs/dbraw/zinc/96/95/86/1379969586.db2.gz ZMPUWGMMOZLJTQ-GOSISDBHSA-N 2 0 331.504 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C(C)(C)C ZINC001284597601 1379998706 /nfs/dbraw/zinc/99/87/06/1379998706.db2.gz IVQQYDUVDKOFPH-OALUTQOASA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001284602393 1380002745 /nfs/dbraw/zinc/00/27/45/1380002745.db2.gz CJFJLHUQISRASE-MRXNPFEDSA-N 2 0 325.541 3.168 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C(C)(C)C ZINC001284632358 1380037061 /nfs/dbraw/zinc/03/70/61/1380037061.db2.gz RSIGZTVKJCBVQZ-MRXNPFEDSA-N 2 0 327.557 3.131 10 0 EGAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CCC2CCCCC2)CC1)[NH+](C)C ZINC001328016674 1388645346 /nfs/dbraw/zinc/64/53/46/1388645346.db2.gz BRQCOVCMLJKXDC-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C/C=C\c2ccccc2)CC1 ZINC001328040152 1388651769 /nfs/dbraw/zinc/65/17/69/1388651769.db2.gz ZQKLCOVMYNDHPB-FLIBITNWSA-N 2 0 343.515 3.012 10 0 EGAERP C[C@H]([NH2+]C1CC(N(C)C(=O)CCCC[NH+](C)C)C1)c1cccc(F)c1 ZINC001284815204 1380240522 /nfs/dbraw/zinc/24/05/22/1380240522.db2.gz HHDKKNMTLFYPSH-MNNVXMFVSA-N 2 0 349.494 3.198 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001328049425 1388653975 /nfs/dbraw/zinc/65/39/75/1388653975.db2.gz FXKFMKAHYXNTCU-IKSUFZCESA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001284929368 1380318802 /nfs/dbraw/zinc/31/88/02/1380318802.db2.gz WANFYAFHTVTCIZ-FQEVSTJZSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)C(C)(C)C1 ZINC001328084414 1388667141 /nfs/dbraw/zinc/66/71/41/1388667141.db2.gz YIIUKYQAVRTKIY-QWPQOLDESA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001328112211 1388676580 /nfs/dbraw/zinc/67/65/80/1388676580.db2.gz CGTUMWJRJWITQJ-MJGOQNOKSA-N 2 0 345.531 3.305 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CCC(C)(C)C ZINC001328286494 1388716422 /nfs/dbraw/zinc/71/64/22/1388716422.db2.gz UTOZHZFOJCWVIR-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCC(C)C)CC1CCN(C(=O)C[C@@H](C)n2ccnc2)CC1 ZINC001328588441 1388783917 /nfs/dbraw/zinc/78/39/17/1388783917.db2.gz VSSTZHRBPSJGIP-GOSISDBHSA-N 2 0 348.535 3.441 10 0 EGAERP CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001328588705 1388784708 /nfs/dbraw/zinc/78/47/08/1388784708.db2.gz XYEXTTQJGWEVJY-OVKVCFKUSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1 ZINC001328674234 1388803797 /nfs/dbraw/zinc/80/37/97/1388803797.db2.gz QUMYBVZUJMGWPO-JTPHSUOKSA-N 2 0 343.515 3.011 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001328671884 1388802452 /nfs/dbraw/zinc/80/24/52/1388802452.db2.gz FGGZNELZLTWXFS-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001328686801 1388807892 /nfs/dbraw/zinc/80/78/92/1388807892.db2.gz POKCOIPSORPKGO-RTBURBONSA-N 2 0 343.515 3.033 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[NH+]2C1)C1CCCCC1 ZINC001165302773 1383269079 /nfs/dbraw/zinc/26/90/79/1383269079.db2.gz LQACRNDTEIDODQ-NLWGTHIKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH+](C)C)N1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001167393480 1383620999 /nfs/dbraw/zinc/62/09/99/1383620999.db2.gz TZDOXQWCHODJNE-SJORKVTESA-N 2 0 347.503 3.210 10 0 EGAERP CC[C@H]([NH2+]CC1CC(NC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1 ZINC001328869539 1388891721 /nfs/dbraw/zinc/89/17/21/1388891721.db2.gz QEMXXOUDNWMCOK-KVZIAJEVSA-N 2 0 343.515 3.106 10 0 EGAERP C[C@@H]1OCC[C@]1(C)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001169270479 1384130532 /nfs/dbraw/zinc/13/05/32/1384130532.db2.gz GZOVMYAHMJMCMB-RXVVDRJESA-N 2 0 330.516 3.488 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001316603874 1384472247 /nfs/dbraw/zinc/47/22/47/1384472247.db2.gz CIQLDDOXNGLTOT-RBUKOAKNSA-N 2 0 345.531 3.239 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]1CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001316610097 1384480102 /nfs/dbraw/zinc/48/01/02/1384480102.db2.gz HCEYRCVSUGTLOG-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001316623961 1384489422 /nfs/dbraw/zinc/48/94/22/1384489422.db2.gz LFTWZFTXEIPBNX-LMMKCTJWSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC001316700110 1384529797 /nfs/dbraw/zinc/52/97/97/1384529797.db2.gz XYITWAGAEZQLOV-YDZRNGNQSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001316878356 1384663236 /nfs/dbraw/zinc/66/32/36/1384663236.db2.gz MDQTYGYGZRCPJT-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001316936018 1384707001 /nfs/dbraw/zinc/70/70/01/1384707001.db2.gz PFCJSLOXBFGCAL-PXEQJPNCSA-N 2 0 349.563 3.386 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001317004359 1384764051 /nfs/dbraw/zinc/76/40/51/1384764051.db2.gz UWJIWUGTCPOLMO-LIXSYLKWSA-N 2 0 335.536 3.140 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317035441 1384805246 /nfs/dbraw/zinc/80/52/46/1384805246.db2.gz UDVVZUZYCYQOKU-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001317037598 1384808320 /nfs/dbraw/zinc/80/83/20/1384808320.db2.gz WJLLCIKVMGJZJF-ICSRJNTNSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CC2CCCCC2)C1 ZINC001317041292 1384814731 /nfs/dbraw/zinc/81/47/31/1384814731.db2.gz AZGJFYWVEGFNJJ-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001317077475 1384842481 /nfs/dbraw/zinc/84/24/81/1384842481.db2.gz HNQLHHOOXIFCND-GUDVDZBRSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCC(C)C)CC[C@@H]21 ZINC001317099302 1384862272 /nfs/dbraw/zinc/86/22/72/1384862272.db2.gz AOSNEJXZGHWYGF-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC001317100200 1384863155 /nfs/dbraw/zinc/86/31/55/1384863155.db2.gz OGAPXINJNXXXNX-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H](CNC(=O)C[NH+](C)C3CCC3)C2)CC1 ZINC001317133133 1384893254 /nfs/dbraw/zinc/89/32/54/1384893254.db2.gz WQZMBMUVFSCAJE-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001317175796 1384947334 /nfs/dbraw/zinc/94/73/34/1384947334.db2.gz DDWKIBIKCOGBTF-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1C/C=C\c1ccccc1 ZINC001317177162 1384950485 /nfs/dbraw/zinc/95/04/85/1384950485.db2.gz PPIMGZMCMLPBDV-DBBZSVRUSA-N 2 0 343.515 3.011 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1CC(C)(C)C1 ZINC001317179028 1384953914 /nfs/dbraw/zinc/95/39/14/1384953914.db2.gz FYZACXWTHFPFRR-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCC[N@@H+]1CCCC1CCCC1)[NH+](C)C ZINC001317180094 1384955351 /nfs/dbraw/zinc/95/53/51/1384955351.db2.gz IHXZMHPGFCEOSG-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317183042 1384958862 /nfs/dbraw/zinc/95/88/62/1384958862.db2.gz MDIOKYATQGOLIG-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]([C@H](C)NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001317202592 1384980183 /nfs/dbraw/zinc/98/01/83/1384980183.db2.gz GKFZKKDUIGUYEV-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001317246626 1385019692 /nfs/dbraw/zinc/01/96/92/1385019692.db2.gz VXAJBNGHFWORDG-ICSRJNTNSA-N 2 0 345.531 3.081 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001317307795 1385073725 /nfs/dbraw/zinc/07/37/25/1385073725.db2.gz RQSIWRYMFFDXOP-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317346484 1385096653 /nfs/dbraw/zinc/09/66/53/1385096653.db2.gz VMVVCZCMQKXMDR-RBUKOAKNSA-N 2 0 345.531 3.143 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)C1 ZINC001317351000 1385100071 /nfs/dbraw/zinc/10/00/71/1385100071.db2.gz NRQGDIGIZSFKBD-DFOOCIKTSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCC1 ZINC001317423277 1385130309 /nfs/dbraw/zinc/13/03/09/1385130309.db2.gz MMUYNDAIBLJDCT-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP O=C(NCCC[C@@H]1CCC[N@@H+]1CCC1CC1)C12CCC[NH+](CCC1)C2 ZINC001317425194 1385131402 /nfs/dbraw/zinc/13/14/02/1385131402.db2.gz XAJFQZLVBOHCSC-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001329107593 1388972513 /nfs/dbraw/zinc/97/25/13/1388972513.db2.gz XHGKXXNAZKDYKH-SJORKVTESA-N 2 0 345.531 3.106 10 0 EGAERP CC[C@@H]([NH2+]CCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(F)cc1 ZINC001317596048 1385348750 /nfs/dbraw/zinc/34/87/50/1385348750.db2.gz FVIRLNCFVKZFIK-RTBURBONSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001317713788 1385415167 /nfs/dbraw/zinc/41/51/67/1385415167.db2.gz HXAKJDWOUGPLTJ-UXHICEINSA-N 2 0 345.531 3.165 10 0 EGAERP CCCN(C(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2)C1 ZINC001317761676 1385451509 /nfs/dbraw/zinc/45/15/09/1385451509.db2.gz NPLVNELJHSDYNV-WOJBJXKFSA-N 2 0 345.531 3.148 10 0 EGAERP C[C@@H](C(=O)NCC[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001317802800 1385498435 /nfs/dbraw/zinc/49/84/35/1385498435.db2.gz MCQIWAKOKAQLFK-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001317876675 1385555831 /nfs/dbraw/zinc/55/58/31/1385555831.db2.gz LNIJOPJQANEHHK-ROUKRRSUSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]Cc1ccccc1C(C)C ZINC001698612173 1406242094 /nfs/dbraw/zinc/24/20/94/1406242094.db2.gz GFJNNSIZCACIJB-IEBWSBKVSA-N 2 0 345.531 3.136 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484372 1385716804 /nfs/dbraw/zinc/71/68/04/1385716804.db2.gz YDCSEBDKBYYRAU-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001318485075 1385717816 /nfs/dbraw/zinc/71/78/16/1385717816.db2.gz ODHNFSHNAXGRGF-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCc1ccccc1C[NH2+][C@@H](CC)CNC(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001318608166 1385792934 /nfs/dbraw/zinc/79/29/34/1385792934.db2.gz UXGCSQSFIKSRAO-PMACEKPBSA-N 2 0 345.531 3.108 10 0 EGAERP CC1CC[NH+](CC(=O)NC2(C[NH2+]CCC3CCCC3)CCCC2)CC1 ZINC001318663443 1385823900 /nfs/dbraw/zinc/82/39/00/1385823900.db2.gz IFNNOIYCHJXJHN-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]Cc2ccccc2F)CC1 ZINC001318979163 1385907069 /nfs/dbraw/zinc/90/70/69/1385907069.db2.gz NFHCWQGPQMNLHT-IYARVYRRSA-N 2 0 349.494 3.075 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001319042796 1385942774 /nfs/dbraw/zinc/94/27/74/1385942774.db2.gz AMGAMPAWOVHRRW-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001319119361 1385966110 /nfs/dbraw/zinc/96/61/10/1385966110.db2.gz QPYBEPOKMNTXJO-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)CC[C@H]1CCN(C(=O)c2cccc(C[NH+]3CCCCC3)c2)C1 ZINC001177531847 1385987485 /nfs/dbraw/zinc/98/74/85/1385987485.db2.gz HKDDULHINXMSQW-SFHVURJKSA-N 2 0 343.515 3.086 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001319389539 1386099699 /nfs/dbraw/zinc/09/96/99/1386099699.db2.gz NJNCTVXWHFBKGY-GOSISDBHSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)N(C)C(=O)CC[NH+](C)C ZINC001319526202 1386161655 /nfs/dbraw/zinc/16/16/55/1386161655.db2.gz VVVZTMBAWVQFKY-IRXDYDNUSA-N 2 0 347.547 3.433 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001698634735 1406279513 /nfs/dbraw/zinc/27/95/13/1406279513.db2.gz BUMYJIIVJGNJNA-WYNBNGFRSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001319663165 1386241399 /nfs/dbraw/zinc/24/13/99/1386241399.db2.gz MFHLKDPNYYSRJP-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001319881870 1386357841 /nfs/dbraw/zinc/35/78/41/1386357841.db2.gz VAWMXIUGVZSMCS-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001319887621 1386362556 /nfs/dbraw/zinc/36/25/56/1386362556.db2.gz HHLYLTRJXFPLCW-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)CCCC[NH+](C)C)CC[C@H]21 ZINC001320109444 1386518371 /nfs/dbraw/zinc/51/83/71/1386518371.db2.gz BUNICSHNVIGLGJ-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001320414263 1386603313 /nfs/dbraw/zinc/60/33/13/1386603313.db2.gz DBTZMANQLBSLNI-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1 ZINC001320646394 1386678281 /nfs/dbraw/zinc/67/82/81/1386678281.db2.gz XDGGDVYOWVMJBC-AZUAARDMSA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001320734943 1386705088 /nfs/dbraw/zinc/70/50/88/1386705088.db2.gz OXONWDZREHYYNO-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001320756447 1386710400 /nfs/dbraw/zinc/71/04/00/1386710400.db2.gz YPCIXOSNLCOHSJ-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cc(C)ccc1C)C(=O)C[N@H+](C)C(C)C ZINC001320930228 1386762056 /nfs/dbraw/zinc/76/20/56/1386762056.db2.gz XGTWEJCWPNBAAP-SFHVURJKSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)=CC[NH2+]C/C=C\CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321207308 1386841775 /nfs/dbraw/zinc/84/17/75/1386841775.db2.gz FDGLMRMQRRWHJV-LIXSYLKWSA-N 2 0 333.520 3.012 10 0 EGAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001698675138 1406323680 /nfs/dbraw/zinc/32/36/80/1406323680.db2.gz XWMLJSKUZPRHRO-MJGOQNOKSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C/CNC(=O)CC1CC[NH+](C)CC1 ZINC001321281034 1386865757 /nfs/dbraw/zinc/86/57/57/1386865757.db2.gz PRWAKLNBOIKLFB-IPLHWJFFSA-N 2 0 343.515 3.050 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC/C=C/C[NH2+]CC2CCC(C(C)(C)C)CC2)C1 ZINC001321394903 1386893308 /nfs/dbraw/zinc/89/33/08/1386893308.db2.gz YYTDBYUVGRPUPP-ZAOMTGGISA-N 2 0 349.563 3.053 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC/C=C\C[NH2+]CC2=CCCCC2)c1 ZINC001321415123 1386897216 /nfs/dbraw/zinc/89/72/16/1386897216.db2.gz CGYKYEBFIYBSQG-SREVYHEPSA-N 2 0 341.499 3.124 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001322003958 1387028932 /nfs/dbraw/zinc/02/89/32/1387028932.db2.gz IBQZYGBCBBDPPQ-HKUYNNGSSA-N 2 0 349.563 3.314 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001322178733 1387089622 /nfs/dbraw/zinc/08/96/22/1387089622.db2.gz ZJPFXTBONWBDNY-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H](C[N@H+](C)CCC1CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322269557 1387130387 /nfs/dbraw/zinc/13/03/87/1387130387.db2.gz OSKYJMUCXAGHCB-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC(CC[NH2+][C@H](C)c2ccccc2)CC1 ZINC001698704471 1406346142 /nfs/dbraw/zinc/34/61/42/1406346142.db2.gz PBYSEBIMNMDLRL-GOSISDBHSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1C ZINC001322843618 1387244962 /nfs/dbraw/zinc/24/49/62/1387244962.db2.gz DMGHAVZWGSFVKR-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001329256738 1389037790 /nfs/dbraw/zinc/03/77/90/1389037790.db2.gz MOUUHSDFQLJFKQ-JCYILVPMSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)cc1 ZINC001698719868 1406365297 /nfs/dbraw/zinc/36/52/97/1406365297.db2.gz JSLZHUGPVZQIPM-VQTJNVASSA-N 2 0 343.515 3.065 10 0 EGAERP CCCC[C@H](C[NH2+][C@H]1CCc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001329900715 1389251313 /nfs/dbraw/zinc/25/13/13/1389251313.db2.gz LBSSYMFELGFNLV-QUCCMNQESA-N 2 0 343.515 3.034 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001329937663 1389266497 /nfs/dbraw/zinc/26/64/97/1389266497.db2.gz NNOZCVZVGDTEAH-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001329996448 1389281276 /nfs/dbraw/zinc/28/12/76/1389281276.db2.gz CVZACNZETGYRGI-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001330666734 1389490074 /nfs/dbraw/zinc/49/00/74/1389490074.db2.gz IXAOJHHDFGDEIR-IHPCNDPISA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001698735889 1406385617 /nfs/dbraw/zinc/38/56/17/1406385617.db2.gz QPISHBFTHJHNSF-GOSISDBHSA-N 2 0 343.515 3.014 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)CC1 ZINC001331030246 1389602272 /nfs/dbraw/zinc/60/22/72/1389602272.db2.gz VRCNPBWYFORVLZ-FXAWDEMLSA-N 2 0 349.563 3.362 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)C1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC001331075342 1389621830 /nfs/dbraw/zinc/62/18/30/1389621830.db2.gz VYEKPPJTFMDRRP-GOSISDBHSA-N 2 0 345.531 3.319 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C2CCC2)cc1)[NH+](C)C ZINC001331616807 1389831634 /nfs/dbraw/zinc/83/16/34/1389831634.db2.gz RERGTNBTQMKCPQ-OXJNMPFZSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001332014283 1389945786 /nfs/dbraw/zinc/94/57/86/1389945786.db2.gz JRGQQCNQKDIWCU-QZTJIDSGSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@H]1C ZINC001332050513 1389959151 /nfs/dbraw/zinc/95/91/51/1389959151.db2.gz PUXNYUOIXNUJLT-MOPGFXCFSA-N 2 0 345.531 3.033 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)[C@@H]3CCC[NH+]3C(C)C)CCC[C@@H]12 ZINC001332089600 1389977170 /nfs/dbraw/zinc/97/71/70/1389977170.db2.gz KGKQQCUFOJPRER-NLWGTHIKSA-N 2 0 335.536 3.163 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001332116019 1389993334 /nfs/dbraw/zinc/99/33/34/1389993334.db2.gz GQAZKDFLRCJNMM-CTNGQTDRSA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001332309539 1390083516 /nfs/dbraw/zinc/08/35/16/1390083516.db2.gz KIUHJUJCRLCDGQ-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001332339610 1390090904 /nfs/dbraw/zinc/09/09/04/1390090904.db2.gz GQVKJWQWDIRTRZ-OALUTQOASA-N 2 0 335.536 3.092 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C[NH+]2CCC(C)CC2)CC1(C)C ZINC001332426378 1390113898 /nfs/dbraw/zinc/11/38/98/1390113898.db2.gz CQCBMTUJNGZRBX-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)N(CCN(C)[C@H](C)c1ccccc1F)C(=O)Cc1cnc[nH]1 ZINC001332732974 1390173120 /nfs/dbraw/zinc/17/31/20/1390173120.db2.gz WMDKROBSFTWOIE-OAHLLOKOSA-N 2 0 346.450 3.021 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001332972039 1390226887 /nfs/dbraw/zinc/22/68/87/1390226887.db2.gz IQCSGPUPNAUCMC-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](NC(=O)CCC[NH+](C)C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001332999260 1390233483 /nfs/dbraw/zinc/23/34/83/1390233483.db2.gz SGGNOKZOZDPQJZ-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP C(C1C2CC3CC(C2)CC1C3)[NH+]1CCC([NH2+]C2CCOCC2)CC1 ZINC001333733072 1390386843 /nfs/dbraw/zinc/38/68/43/1390386843.db2.gz AXTQXBWLMDXMCU-UHFFFAOYSA-N 2 0 332.532 3.292 10 0 EGAERP C[C@@H]1C[C@H]2CC[C@@H](C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)C[N@@H+]2C1 ZINC001348360061 1391209652 /nfs/dbraw/zinc/20/96/52/1391209652.db2.gz XTVWLBDNCNISFI-XVUAGMNHSA-N 2 0 347.547 3.020 10 0 EGAERP CN(c1ccccc1C[NH2+][C@H]1C[C@@H]2[C@H](C1)C2(F)F)C1CC[NH+](C)CC1 ZINC001350136480 1391419246 /nfs/dbraw/zinc/41/92/46/1391419246.db2.gz PEGPYXAQIJNHLT-VBUUOAMHSA-N 2 0 349.469 3.350 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698827510 1406520350 /nfs/dbraw/zinc/52/03/50/1406520350.db2.gz BVWUMCMPLSDQJC-RBUKOAKNSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001698834623 1406529785 /nfs/dbraw/zinc/52/97/85/1406529785.db2.gz FHZKKGQCRVOFJR-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001479693979 1392324999 /nfs/dbraw/zinc/32/49/99/1392324999.db2.gz JHAJIKUXOKGWOL-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001479748555 1392366479 /nfs/dbraw/zinc/36/64/79/1392366479.db2.gz YFUOJBCNNQAXQW-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001479788459 1392390425 /nfs/dbraw/zinc/39/04/25/1392390425.db2.gz SMHNLJMHOALGJW-INIZCTEOSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001698857702 1406565971 /nfs/dbraw/zinc/56/59/71/1406565971.db2.gz RHNWHEWQRTWRBZ-IEBWSBKVSA-N 2 0 345.531 3.088 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001479911090 1392479171 /nfs/dbraw/zinc/47/91/71/1392479171.db2.gz CXQVDORUUABAFF-ZMBJWTFHSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001479963503 1392498865 /nfs/dbraw/zinc/49/88/65/1392498865.db2.gz IIFHOXBBNJTTNJ-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC12CC[NH+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001479985333 1392517351 /nfs/dbraw/zinc/51/73/51/1392517351.db2.gz MQYRASXQRDRLMH-RBUKOAKNSA-N 2 0 347.547 3.188 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)C)CC1 ZINC001479991243 1392522544 /nfs/dbraw/zinc/52/25/44/1392522544.db2.gz DBJARIQQLGDRAS-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC2=CCCCC2)C2CC2)C1 ZINC001480041648 1392547375 /nfs/dbraw/zinc/54/73/75/1392547375.db2.gz SVDBTEODUJEKKV-WOJBJXKFSA-N 2 0 347.547 3.093 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001480123025 1392595258 /nfs/dbraw/zinc/59/52/58/1392595258.db2.gz PCEWPXNMDLYYEP-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001480167333 1392606990 /nfs/dbraw/zinc/60/69/90/1392606990.db2.gz MPRFXASJVBKUAM-FHWLQOOXSA-N 2 0 345.531 3.333 10 0 EGAERP C[NH+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CCC2(CC2)CC1 ZINC001480183235 1392615041 /nfs/dbraw/zinc/61/50/41/1392615041.db2.gz ZFDUGZNETUXEBW-YQQQUEKLSA-N 2 0 347.547 3.020 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001480206919 1392622859 /nfs/dbraw/zinc/62/28/59/1392622859.db2.gz QARKSMGRXZVWHI-HNXFAEETSA-N 2 0 335.517 3.016 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001480232622 1392629256 /nfs/dbraw/zinc/62/92/56/1392629256.db2.gz OUMVJVMMZGVKBO-XZOBEWGMSA-N 2 0 335.536 3.090 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001480332133 1392691145 /nfs/dbraw/zinc/69/11/45/1392691145.db2.gz KXNCUXIWTKKSJF-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1CC1CCCCC1 ZINC001480374777 1392717859 /nfs/dbraw/zinc/71/78/59/1392717859.db2.gz WXTDZWLJTDIWIE-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH2+]CCC1CCCCCC1 ZINC001480460631 1392760011 /nfs/dbraw/zinc/76/00/11/1392760011.db2.gz WXRBTNSJWAFMQG-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001480661917 1392841500 /nfs/dbraw/zinc/84/15/00/1392841500.db2.gz RDFSAOXSCNIPNB-IHPCNDPISA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480682147 1392850998 /nfs/dbraw/zinc/85/09/98/1392850998.db2.gz CPGKKRGNBLGLTN-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001480730955 1392893343 /nfs/dbraw/zinc/89/33/43/1392893343.db2.gz NCASKKCRVNMQKI-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001480742502 1392908450 /nfs/dbraw/zinc/90/84/50/1392908450.db2.gz MKOMXZOTVIJXBQ-PXPVJAHISA-N 2 0 335.536 3.142 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001481112504 1393122623 /nfs/dbraw/zinc/12/26/23/1393122623.db2.gz KEHDVFTWJRRECL-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1=CCCCC1 ZINC001481139588 1393131219 /nfs/dbraw/zinc/13/12/19/1393131219.db2.gz MGNGUMVMVZVEGX-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+]CCC1CCCCC1)[NH+]1CCCC1 ZINC001481319425 1393163082 /nfs/dbraw/zinc/16/30/82/1393163082.db2.gz DJWRZYUWHYFGLO-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C[NH2+]CC2CC2)C2CCCCC2)C1 ZINC001698883010 1406614731 /nfs/dbraw/zinc/61/47/31/1406614731.db2.gz NZNUNVVCDVIGTE-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001698895956 1406628964 /nfs/dbraw/zinc/62/89/64/1406628964.db2.gz ZJZLBBSNTRPWLF-MJGOQNOKSA-N 2 0 347.547 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001490411074 1394218666 /nfs/dbraw/zinc/21/86/66/1394218666.db2.gz LORBKADMEKRMRZ-PLNGDYQASA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001481390652 1394230397 /nfs/dbraw/zinc/23/03/97/1394230397.db2.gz MGXNMPMRNFWYAU-MKXGPGLRSA-N 2 0 349.563 3.361 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001481411613 1394270105 /nfs/dbraw/zinc/27/01/05/1394270105.db2.gz GHOBQWOVTWYWHL-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CCCN(C(=O)CCc1c[nH]cn1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001490616443 1394284245 /nfs/dbraw/zinc/28/42/45/1394284245.db2.gz GSHGGAZBCLURBZ-UHFFFAOYSA-N 2 0 348.535 3.482 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481434459 1394290706 /nfs/dbraw/zinc/29/07/06/1394290706.db2.gz OGHWUJVVSXDTLH-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CC[C@H](CCNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001481462144 1394318920 /nfs/dbraw/zinc/31/89/20/1394318920.db2.gz PZCVQZPIAMRPAL-OALUTQOASA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001490765842 1394327811 /nfs/dbraw/zinc/32/78/11/1394327811.db2.gz ITSZPHLLVAVFAI-QUCCMNQESA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001490768433 1394331018 /nfs/dbraw/zinc/33/10/18/1394331018.db2.gz NHYPUFYVHVTKCS-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH+](C)CCC1CCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)CC1 ZINC001698951438 1406691783 /nfs/dbraw/zinc/69/17/83/1406691783.db2.gz CVKSBUBKUWMSPO-FQEVSTJZSA-N 2 0 349.563 3.386 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001490837459 1394359016 /nfs/dbraw/zinc/35/90/16/1394359016.db2.gz BOVJTKXAUVFUCP-MGBKSAOESA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001491153918 1394452687 /nfs/dbraw/zinc/45/26/87/1394452687.db2.gz ZGXYANGZGMHYGM-CKHBTRQNSA-N 2 0 349.563 3.291 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001491237857 1394490569 /nfs/dbraw/zinc/49/05/69/1394490569.db2.gz XPIMLYAODNOYQZ-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812038 1394541220 /nfs/dbraw/zinc/54/12/20/1394541220.db2.gz ZHHCRLRUFXIOCJ-RTBURBONSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001481976152 1394637344 /nfs/dbraw/zinc/63/73/44/1394637344.db2.gz FNTZPPZCMSVBKL-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001482026052 1394684089 /nfs/dbraw/zinc/68/40/89/1394684089.db2.gz FJHRTLSLFVUOGD-NCXUSEDFSA-N 2 0 335.536 3.090 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC[C@@H]2C[NH2+]CCCC(C)C)C1 ZINC001482061883 1394723534 /nfs/dbraw/zinc/72/35/34/1394723534.db2.gz QUGSNEAUCKDCEZ-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001482398496 1394959509 /nfs/dbraw/zinc/95/95/09/1394959509.db2.gz LLDLNCNSZMPPCM-LJQANCHMSA-N 2 0 337.552 3.194 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(C)c1 ZINC001482464202 1395021282 /nfs/dbraw/zinc/02/12/82/1395021282.db2.gz WUAZGBZXAMLQBS-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCCC1CCCC1 ZINC001698970679 1406733870 /nfs/dbraw/zinc/73/38/70/1406733870.db2.gz KCZHYOHSBYQJTP-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC(C)(C)C)C1 ZINC001482480049 1395034120 /nfs/dbraw/zinc/03/41/20/1395034120.db2.gz TXZLGXCWTSWMPN-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001482485492 1395038558 /nfs/dbraw/zinc/03/85/58/1395038558.db2.gz VEIDXSNGFXCTLB-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CC[C@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001483846936 1395113559 /nfs/dbraw/zinc/11/35/59/1395113559.db2.gz DRKNZLQKYXHXRM-QUCCMNQESA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)[NH+](C)C ZINC001483933755 1395150737 /nfs/dbraw/zinc/15/07/37/1395150737.db2.gz GNQOFUQYENRVRS-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001483951198 1395158484 /nfs/dbraw/zinc/15/84/84/1395158484.db2.gz XVQUCVDKLQDNIC-UEKDZROGSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001483951199 1395158779 /nfs/dbraw/zinc/15/87/79/1395158779.db2.gz XVQUCVDKLQDNIC-VOFKWLDRSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001483976199 1395171703 /nfs/dbraw/zinc/17/17/03/1395171703.db2.gz GZROEGQNBCJILU-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CC2CCCCC2)C1 ZINC001484047219 1395211874 /nfs/dbraw/zinc/21/18/74/1395211874.db2.gz ITHODJOBOAVUTN-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484065252 1395228424 /nfs/dbraw/zinc/22/84/24/1395228424.db2.gz KSMOORIQLATMFU-BXKJMJEDSA-N 2 0 343.515 3.299 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001484111264 1395256957 /nfs/dbraw/zinc/25/69/57/1395256957.db2.gz YSKIOVJXIUGLNR-HXUWFJFHSA-N 2 0 337.552 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C(C)C ZINC001698980511 1406756827 /nfs/dbraw/zinc/75/68/27/1406756827.db2.gz KHQRGSUXEGXMLL-UXHICEINSA-N 2 0 349.563 3.482 10 0 EGAERP CC/C=C/CC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CC[NH+](C)C1 ZINC001484556998 1395438769 /nfs/dbraw/zinc/43/87/69/1395438769.db2.gz MSISXCZOVUCGEP-XJDXJNMNSA-N 2 0 343.515 3.043 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001484637582 1395457899 /nfs/dbraw/zinc/45/78/99/1395457899.db2.gz JIKABVRVWQOQGI-GOSISDBHSA-N 2 0 335.536 3.212 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CC3CCCCC3)C2)C1 ZINC001484828300 1395566048 /nfs/dbraw/zinc/56/60/48/1395566048.db2.gz AHORZWICZDEFPN-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001484830909 1395568776 /nfs/dbraw/zinc/56/87/76/1395568776.db2.gz NKFQGCJHQXVWBO-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001484992545 1395637318 /nfs/dbraw/zinc/63/73/18/1395637318.db2.gz AGVYIVRUHGRPLE-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)C1CC[NH+](C)CC1 ZINC001485737054 1396124370 /nfs/dbraw/zinc/12/43/70/1396124370.db2.gz UDABYYZQKYAOHC-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001485763565 1396139444 /nfs/dbraw/zinc/13/94/44/1396139444.db2.gz VSLFUDMOSUATAL-LJQANCHMSA-N 2 0 331.504 3.012 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001485815265 1396157399 /nfs/dbraw/zinc/15/73/99/1396157399.db2.gz XWPLLVCKAURLRQ-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CC1CCC(C)(C)CC1 ZINC001499955872 1396185116 /nfs/dbraw/zinc/18/51/16/1396185116.db2.gz YTGYGNVIWLNQBM-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1(C)C ZINC001486235239 1396185670 /nfs/dbraw/zinc/18/56/70/1396185670.db2.gz UXNMNKUSFYMKHA-QTYXSNHHSA-N 2 0 337.552 3.146 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCCC2CCCC2)C(C)(C)C1 ZINC001486241707 1396187868 /nfs/dbraw/zinc/18/78/68/1396187868.db2.gz YRCGHSSJSFCVQX-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001501390333 1396193250 /nfs/dbraw/zinc/19/32/50/1396193250.db2.gz IYEOGULPVIFARK-DUFJLWIISA-N 2 0 345.531 3.036 10 0 EGAERP CCC[NH+]1CCC(CCCCCNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001502519420 1396199757 /nfs/dbraw/zinc/19/97/57/1396199757.db2.gz KYUHSKKUDPEOST-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001503014917 1396240939 /nfs/dbraw/zinc/24/09/39/1396240939.db2.gz QAOYSKBCCLIQEV-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001503764138 1396268212 /nfs/dbraw/zinc/26/82/12/1396268212.db2.gz OGPZEKOONKFCMW-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CC[C@H](C[NH2+]CC2CCCCC2)C1 ZINC001491858679 1396298745 /nfs/dbraw/zinc/29/87/45/1396298745.db2.gz KSLXBXOVWJNRCJ-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC[N@@H+](C)CC2CCCCCC2)C1 ZINC001492818176 1396325032 /nfs/dbraw/zinc/32/50/32/1396325032.db2.gz ZPEZQACVQWKOSB-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](C[NH+](C)CCCC3CCCC3)C2)C1 ZINC001494159175 1396389695 /nfs/dbraw/zinc/38/96/95/1396389695.db2.gz IEADSCHZVDQCPU-QUCCMNQESA-N 2 0 349.563 3.079 10 0 EGAERP CC[NH+](CC)CC[C@H](NC(=O)NC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001687847373 1396510180 /nfs/dbraw/zinc/51/01/80/1396510180.db2.gz IMPLIIYLIAOWQZ-SFHVURJKSA-N 2 0 348.535 3.099 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001495809895 1396560943 /nfs/dbraw/zinc/56/09/43/1396560943.db2.gz ULARUYONTVDRQR-ZWKOTPCHSA-N 2 0 345.531 3.309 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001495963180 1396579886 /nfs/dbraw/zinc/57/98/86/1396579886.db2.gz DJYPQTUPMHPJJQ-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCCC1 ZINC001495964043 1396580653 /nfs/dbraw/zinc/58/06/53/1396580653.db2.gz WLQOPQTUOPLBDB-LJQANCHMSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001496312331 1396644194 /nfs/dbraw/zinc/64/41/94/1396644194.db2.gz PKFQZMCPDFXNTJ-VQTJNVASSA-N 2 0 349.563 3.457 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001496350672 1396660885 /nfs/dbraw/zinc/66/08/85/1396660885.db2.gz KWDIJXWLXZROPX-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC(C)(C)C ZINC001496392314 1396685456 /nfs/dbraw/zinc/68/54/56/1396685456.db2.gz UQYGLBHAKAVMSB-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001496415245 1396698122 /nfs/dbraw/zinc/69/81/22/1396698122.db2.gz OHEGXJGCZZBVCO-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCN(CC[NH2+]Cc1c(C)cc(C)cc1C)C(=O)[C@H](C(C)C)[NH+](C)C ZINC001497486830 1396765249 /nfs/dbraw/zinc/76/52/49/1396765249.db2.gz USZKDYLNWCYJBI-FQEVSTJZSA-N 2 0 347.547 3.136 10 0 EGAERP CC1CC[NH+](CC(=O)NC/C=C/C[NH2+]CCC2CCCCCC2)CC1 ZINC001497714011 1396796087 /nfs/dbraw/zinc/79/60/87/1396796087.db2.gz LEIZSOIPFLPKDM-VOTSOKGWSA-N 2 0 349.563 3.341 10 0 EGAERP CCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001689096904 1396904060 /nfs/dbraw/zinc/90/40/60/1396904060.db2.gz JDSREKGYWZEWCE-QYZOEREBSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CCCC1 ZINC001689108138 1396914898 /nfs/dbraw/zinc/91/48/98/1396914898.db2.gz IKFHGJKAZMBQEN-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1)[NH+]1CCCCCC1 ZINC001498132598 1396924178 /nfs/dbraw/zinc/92/41/78/1396924178.db2.gz QBSMNQLYEGBIQH-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CC1CCCCCC1 ZINC001689184942 1396963913 /nfs/dbraw/zinc/96/39/13/1396963913.db2.gz ZHVGBEBYJUBEKT-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001689267859 1396999424 /nfs/dbraw/zinc/99/94/24/1396999424.db2.gz SCHDQCOFKKZTIZ-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498492838 1397036785 /nfs/dbraw/zinc/03/67/85/1397036785.db2.gz UZLDUGUQCQBZPR-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CCCCC1 ZINC001689336108 1397041771 /nfs/dbraw/zinc/04/17/71/1397041771.db2.gz AUVOCHUROFJUOF-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001689361008 1403696252 /nfs/dbraw/zinc/69/62/52/1403696252.db2.gz YUGLAZIIFRFLJZ-LUNNPTDRSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CCC(C)(C)C ZINC001689912178 1404205389 /nfs/dbraw/zinc/20/53/89/1404205389.db2.gz RLBYOHHKMHWSFP-SJORKVTESA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+]([C@H](C)c1ccccc1)CC2 ZINC001690131799 1404327294 /nfs/dbraw/zinc/32/72/94/1404327294.db2.gz ZZYFBXDSEVODOB-IEBWSBKVSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCC2CC2)C1 ZINC001690191739 1404395166 /nfs/dbraw/zinc/39/51/66/1404395166.db2.gz ZGTHBCZIVZUKLH-PMACEKPBSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690215151 1404422923 /nfs/dbraw/zinc/42/29/23/1404422923.db2.gz DJIFNZHIGRWWCP-LWYYNNOASA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC[NH+]1CCCCC1 ZINC001690215814 1404424654 /nfs/dbraw/zinc/42/46/54/1404424654.db2.gz APVPTSIQYRWMRX-XLDNSSHCSA-N 2 0 347.547 3.284 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001690288983 1404449973 /nfs/dbraw/zinc/44/99/73/1404449973.db2.gz PTUZWRSRFPJSQC-SNRMKQJTSA-N 2 0 331.504 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001690384957 1404516860 /nfs/dbraw/zinc/51/68/60/1404516860.db2.gz FHZOVMLVNKMXKC-XSXCZSQGSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001690610751 1404651636 /nfs/dbraw/zinc/65/16/36/1404651636.db2.gz UCVWEGZYBQREJM-MRXNPFEDSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001690650902 1404682020 /nfs/dbraw/zinc/68/20/20/1404682020.db2.gz TZQLZGUQDGJMRV-QUCCMNQESA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)CC1CC(C)C1 ZINC001725176204 1425692506 /nfs/dbraw/zinc/69/25/06/1425692506.db2.gz XRQYVHCXYMUCET-AQFXKWCLSA-N 2 0 337.552 3.122 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)CCC(C)(C)C ZINC001690941850 1404848667 /nfs/dbraw/zinc/84/86/67/1404848667.db2.gz NOSOILNFHIVLRG-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)CCC1CCCCC1 ZINC001690982376 1404895887 /nfs/dbraw/zinc/89/58/87/1404895887.db2.gz ZFLUTYVJDCNNCJ-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001725493482 1426171251 /nfs/dbraw/zinc/17/12/51/1426171251.db2.gz FOOHRCNHKGQHJQ-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001691105369 1405044708 /nfs/dbraw/zinc/04/47/08/1405044708.db2.gz AULKZXHVYASLRS-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H](C)N(C(=O)[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691277251 1405188995 /nfs/dbraw/zinc/18/89/95/1405188995.db2.gz UNIRQGPVIXWQST-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001691317065 1405204123 /nfs/dbraw/zinc/20/41/23/1405204123.db2.gz LFFGUJOOATZAIM-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001691360113 1405213288 /nfs/dbraw/zinc/21/32/88/1405213288.db2.gz OOXDDRCEKAIXIO-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001691429081 1405263411 /nfs/dbraw/zinc/26/34/11/1405263411.db2.gz UTYFDMKUKQFKQJ-BNCVPQAMSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691481983 1405295640 /nfs/dbraw/zinc/29/56/40/1405295640.db2.gz XMAIXARSKIHTRP-QGZVKYPTSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1Cc1ccccc1C ZINC001691482667 1405296003 /nfs/dbraw/zinc/29/60/03/1405296003.db2.gz QBYORTOMGBOQQW-ZCNNSNEGSA-N 2 0 345.531 3.050 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+]2CC[C@H](C)C2)CC[N@@H+]1CCCC(C)(C)C ZINC001691499075 1405305392 /nfs/dbraw/zinc/30/53/92/1405305392.db2.gz NBMOKZHEGQZWCX-OKZBNKHCSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H]2CN(C(=O)CCC[NH+]3CCCC3)C[C@@H]2C1 ZINC001691584211 1405346851 /nfs/dbraw/zinc/34/68/51/1405346851.db2.gz AXHDLEJTFFSWPG-MOPGFXCFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001691595153 1405350560 /nfs/dbraw/zinc/35/05/60/1405350560.db2.gz IHBVRAPMFQEKEP-OKZBNKHCSA-N 2 0 337.552 3.027 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCCCC[C@@H]([NH2+]CC2CCC2)C1 ZINC001691636792 1405372469 /nfs/dbraw/zinc/37/24/69/1405372469.db2.gz MYLMRCTWFGOAOV-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N(C)C[C@@H]2CC[NH+]2CCC2CCCCCC2)C1 ZINC001691661610 1405394749 /nfs/dbraw/zinc/39/47/49/1405394749.db2.gz VWPZRHUGERGJPH-ICSRJNTNSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@H]2CN(C)C(=O)CCCC[NH+](C)C)cc1C ZINC001691674661 1405408508 /nfs/dbraw/zinc/40/85/08/1405408508.db2.gz JJOISEXPZUCMOW-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@H]1CC[NH+]1CCCC(C)(C)C ZINC001691679398 1405414241 /nfs/dbraw/zinc/41/42/41/1405414241.db2.gz URUYCJFCGIZCAL-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001691687827 1405422622 /nfs/dbraw/zinc/42/26/22/1405422622.db2.gz XBEOSINMHMTKHU-GOSISDBHSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CCCC1 ZINC001691736027 1405458367 /nfs/dbraw/zinc/45/83/67/1405458367.db2.gz GOZCZJMYOHAHCR-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)C[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001691790345 1405499401 /nfs/dbraw/zinc/49/94/01/1405499401.db2.gz MDQCXRNGOQWBDT-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001691789974 1405499538 /nfs/dbraw/zinc/49/95/38/1405499538.db2.gz GLNLOIJBXUOHQI-IRXDYDNUSA-N 2 0 349.494 3.151 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001691790524 1405500862 /nfs/dbraw/zinc/50/08/62/1405500862.db2.gz PTAWGRYQIWPKNY-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP C[C@H](C(=O)NC[C@@H]([NH2+]CCCF)c1ccccc1)[NH+]1CCCCCC1 ZINC001691796214 1405507176 /nfs/dbraw/zinc/50/71/76/1405507176.db2.gz FXBRTZSVXXPTFI-IEBWSBKVSA-N 2 0 349.494 3.058 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2C[C@H](C)CCN2C(=O)CC[NH+](C)C)c1 ZINC001691838202 1405550381 /nfs/dbraw/zinc/55/03/81/1405550381.db2.gz YTKUSWXYIFQYGW-GGPKGHCWSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC(C)C)C1)c1ccccc1 ZINC001691937683 1405663344 /nfs/dbraw/zinc/66/33/44/1405663344.db2.gz BDIGNKRMQXJUHA-SXLOBPIMSA-N 2 0 345.531 3.210 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001691976424 1405690656 /nfs/dbraw/zinc/69/06/56/1405690656.db2.gz REZUXOWCSHESEB-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001691999655 1405716465 /nfs/dbraw/zinc/71/64/65/1405716465.db2.gz VIADXIJVCPLAAY-RBUKOAKNSA-N 2 0 345.531 3.177 10 0 EGAERP CC/C=C\CC[N@H+](C)CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001731770979 1427882041 /nfs/dbraw/zinc/88/20/41/1427882041.db2.gz FPXMIOQAANMHIQ-PYTPGESOSA-N 2 0 335.536 3.045 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)CC(C)(C)C2)C1 ZINC001692275506 1405907126 /nfs/dbraw/zinc/90/71/26/1405907126.db2.gz IYLDQOBRIWLGQY-ABHNRTSZSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001692368111 1405977592 /nfs/dbraw/zinc/97/75/92/1405977592.db2.gz ICCQMUKRKYOLSX-NIXPFCLKSA-N 2 0 347.547 3.329 10 0 EGAERP CCN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001698588625 1406208556 /nfs/dbraw/zinc/20/85/56/1406208556.db2.gz RNTGADIZDVLRGQ-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001698605821 1406233037 /nfs/dbraw/zinc/23/30/37/1406233037.db2.gz UBZJJSHGBZBKCV-PMACEKPBSA-N 2 0 345.531 3.279 10 0 EGAERP CC1CCC(C[NH2+][C@@H](CNC(=O)CC[NH+](C)C)c2ccccc2)CC1 ZINC001732020831 1428238181 /nfs/dbraw/zinc/23/81/81/1428238181.db2.gz BAYYDAGUVAKLOJ-QLOJAFMTSA-N 2 0 345.531 3.212 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001732040302 1428267229 /nfs/dbraw/zinc/26/72/29/1428267229.db2.gz BXVXPLVZIODFCN-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1 ZINC001732070011 1428318602 /nfs/dbraw/zinc/31/86/02/1428318602.db2.gz DBAPBAJZHJGNON-GOSISDBHSA-N 2 0 349.563 3.220 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C)cc2C)C1 ZINC001732076453 1428327994 /nfs/dbraw/zinc/32/79/94/1428327994.db2.gz OHFZNTCTMYNNEW-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001733602741 1429809261 /nfs/dbraw/zinc/80/92/61/1429809261.db2.gz RFGRVUWCIFXMBR-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2ccc(F)cc2)C1 ZINC001732082852 1428339133 /nfs/dbraw/zinc/33/91/33/1428339133.db2.gz FTVVBZANGPELOW-IAGOWNOFSA-N 2 0 349.494 3.007 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](C[NH+](C)[C@H](C)c2cccc(F)c2)C1 ZINC001732084769 1428343858 /nfs/dbraw/zinc/34/38/58/1428343858.db2.gz UWJPLQFEIOFIMF-IAGOWNOFSA-N 2 0 349.494 3.007 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732151146 1428394578 /nfs/dbraw/zinc/39/45/78/1428394578.db2.gz ZSTFFYPOGHPDKQ-PMACEKPBSA-N 2 0 343.515 3.227 10 0 EGAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)c1ccc(C[NH+](C)C)cc1)C1CC1 ZINC001732250263 1428492109 /nfs/dbraw/zinc/49/21/09/1428492109.db2.gz MXMKVZFLERGKHU-OAQYLSRUSA-N 2 0 343.515 3.203 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732281186 1428512885 /nfs/dbraw/zinc/51/28/85/1428512885.db2.gz LRJUTFRZEWWFIT-IBGZPJMESA-N 2 0 345.531 3.055 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001732307646 1428522211 /nfs/dbraw/zinc/52/22/11/1428522211.db2.gz INCPXFBEQIFMTO-HBTDMPEGSA-N 2 0 347.547 3.092 10 0 EGAERP 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ZINC001732689212 1428910903 /nfs/dbraw/zinc/91/09/03/1428910903.db2.gz DPIXCRPADUKYMD-FXAWDEMLSA-N 2 0 345.531 3.106 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001732806204 1428984840 /nfs/dbraw/zinc/98/48/40/1428984840.db2.gz CXXRYSUBPHOTKC-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CCC[N@H+]2C(C)C)c1 ZINC001732850465 1429009366 /nfs/dbraw/zinc/00/93/66/1429009366.db2.gz JBKQSVABCANJIE-RJOJHWARSA-N 2 0 343.515 3.191 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001732852564 1429010109 /nfs/dbraw/zinc/01/01/09/1429010109.db2.gz SBLHNLWQNQNSGT-SFFCAUCYSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001733009030 1429128719 /nfs/dbraw/zinc/12/87/19/1429128719.db2.gz DBPNPVUHPIWTEM-FUHWJXTLSA-N 2 0 337.552 3.314 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001733026394 1429145520 /nfs/dbraw/zinc/14/55/20/1429145520.db2.gz BJENBKOSORYLTD-OALUTQOASA-N 2 0 345.531 3.335 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001707062870 1417178475 /nfs/dbraw/zinc/17/84/75/1417178475.db2.gz OCJNCOZICGTRHS-HXUWFJFHSA-N 2 0 345.531 3.331 10 0 EGAERP CC[C@@H]([NH2+][C@H]1C[C@@H](CNC(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001707072024 1417184035 /nfs/dbraw/zinc/18/40/35/1417184035.db2.gz BLOGKQPOGXLQNF-AYOQOUSVSA-N 2 0 349.494 3.101 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001707078099 1417188292 /nfs/dbraw/zinc/18/82/92/1417188292.db2.gz SQDJHDDSPQZLPZ-YZGWKJHDSA-N 2 0 343.515 3.130 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCCC(C)(C)C ZINC001707166195 1417227011 /nfs/dbraw/zinc/22/70/11/1417227011.db2.gz QWZFNFLSHBAJCW-MSOLQXFVSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001707171123 1417228777 /nfs/dbraw/zinc/22/87/77/1417228777.db2.gz NPXHTULMHVGJSG-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001707240863 1417260857 /nfs/dbraw/zinc/26/08/57/1417260857.db2.gz LSQNWFKTYDFAPY-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001707277910 1417285210 /nfs/dbraw/zinc/28/52/10/1417285210.db2.gz FAMBUNKCKDPTDU-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001707281277 1417291812 /nfs/dbraw/zinc/29/18/12/1417291812.db2.gz HMXSGISWRUBSMF-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001707281509 1417291967 /nfs/dbraw/zinc/29/19/67/1417291967.db2.gz PPBKORAMGHJABQ-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001707414073 1417323114 /nfs/dbraw/zinc/32/31/14/1417323114.db2.gz ZUKFBYUICBPQQM-SFHVURJKSA-N 2 0 345.531 3.226 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](C)CC2=CCCCC2)ccc2c[nH+]cn21 ZINC001712956874 1417513331 /nfs/dbraw/zinc/51/33/31/1417513331.db2.gz LAGZNTUTVHGRGP-UHFFFAOYSA-N 2 0 340.471 3.195 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)CCCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)c1 ZINC001712991778 1417543426 /nfs/dbraw/zinc/54/34/26/1417543426.db2.gz XDKVLDNAPOKXBK-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)CC1CCCCC1 ZINC001713026271 1417578126 /nfs/dbraw/zinc/57/81/26/1417578126.db2.gz JUONWZCPYCZOIO-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001713057144 1417611636 /nfs/dbraw/zinc/61/16/36/1417611636.db2.gz YUFKJIWMKIRAFS-QHHIFSJYSA-N 2 0 335.536 3.138 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)C1 ZINC001713060746 1417616154 /nfs/dbraw/zinc/61/61/54/1417616154.db2.gz JQKJVLGXDWDIGX-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001713062553 1417618971 /nfs/dbraw/zinc/61/89/71/1417618971.db2.gz CGFAUQMKIAEBIL-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001713132371 1417708015 /nfs/dbraw/zinc/70/80/15/1417708015.db2.gz YGRHHPFZYNRFOC-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001713220197 1417800918 /nfs/dbraw/zinc/80/09/18/1417800918.db2.gz GVLTYQOPSUXEAB-LKGOPFMKSA-N 2 0 337.552 3.149 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001713230703 1417817528 /nfs/dbraw/zinc/81/75/28/1417817528.db2.gz INCHKXGYIYPSRC-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001713244458 1417830893 /nfs/dbraw/zinc/83/08/93/1417830893.db2.gz OVWXUUYKZGOBFM-RTBURBONSA-N 2 0 345.531 3.308 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001713245320 1417831361 /nfs/dbraw/zinc/83/13/61/1417831361.db2.gz AQFDFDZRIKLBJE-LLHWWHOWSA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001713252683 1417844815 /nfs/dbraw/zinc/84/48/15/1417844815.db2.gz DSMNKJUJRGRSPL-RTLBZRNLSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713278912 1417902860 /nfs/dbraw/zinc/90/28/60/1417902860.db2.gz JDBOOOUYSWMZCG-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001713345553 1417966508 /nfs/dbraw/zinc/96/65/08/1417966508.db2.gz AGCWDFBFEHOOJR-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417411 1418041190 /nfs/dbraw/zinc/04/11/90/1418041190.db2.gz QTDPIDIWNWLIAA-BEFAXECRSA-N 2 0 343.531 3.120 10 0 EGAERP C[C@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001713418738 1418042269 /nfs/dbraw/zinc/04/22/69/1418042269.db2.gz IPABKAFHSMRBSM-MSOLQXFVSA-N 2 0 335.536 3.236 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001713427962 1418055510 /nfs/dbraw/zinc/05/55/10/1418055510.db2.gz NZPOHFCJSHQMOB-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CC1 ZINC001733080068 1429233479 /nfs/dbraw/zinc/23/34/79/1429233479.db2.gz ULJPYWNXPXAAFU-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001713456653 1418109075 /nfs/dbraw/zinc/10/90/75/1418109075.db2.gz WOFXIGCXBKYYAA-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CCC2(CC2)CC1)[NH+]1CCCC1 ZINC001713477922 1418161493 /nfs/dbraw/zinc/16/14/93/1418161493.db2.gz JDNSKKAUZBFWGM-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@H](C)c2cccc(C)c2)CC[N@@H+]1C ZINC001733100892 1429242921 /nfs/dbraw/zinc/24/29/21/1429242921.db2.gz CRDFZFFAQSNDML-YZGWKJHDSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1)[NH+](CC)CC ZINC001713515594 1418250530 /nfs/dbraw/zinc/25/05/30/1418250530.db2.gz XTCKJVUBBONVLT-UXHICEINSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1Cc1c(C)cc(C)cc1C ZINC001713518392 1418256852 /nfs/dbraw/zinc/25/68/52/1418256852.db2.gz WZNAXBLXYFRFEI-LJQANCHMSA-N 2 0 345.531 3.034 10 0 EGAERP CC(C)CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001713557720 1418352289 /nfs/dbraw/zinc/35/22/89/1418352289.db2.gz VXXDBNZRFPSFGF-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](C(=O)NCC[N@H+](CCC(C)(C)C)C1CC1)[NH+]1CCCCCC1 ZINC001713563536 1418368177 /nfs/dbraw/zinc/36/81/77/1418368177.db2.gz QPQMLTRQNYHCDD-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1ccc(F)cc1 ZINC001713690365 1418443715 /nfs/dbraw/zinc/44/37/15/1418443715.db2.gz NMPLGPGPQLUGNK-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001713697087 1418452236 /nfs/dbraw/zinc/45/22/36/1418452236.db2.gz CTZQVNOVPWJRCS-PMACEKPBSA-N 2 0 345.531 3.451 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C1CC[NH+](CCCC(C)C)CC1 ZINC001713779973 1418596159 /nfs/dbraw/zinc/59/61/59/1418596159.db2.gz RTPDWMIHIALFNV-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713792257 1418610092 /nfs/dbraw/zinc/61/00/92/1418610092.db2.gz VVTOCOXBOGYQML-HKVCONOFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713832298 1418631362 /nfs/dbraw/zinc/63/13/62/1418631362.db2.gz PUMYJHFFWXDULK-MSOLQXFVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)(C)CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC1 ZINC001713868814 1418665944 /nfs/dbraw/zinc/66/59/44/1418665944.db2.gz UXWXNNZDPPRPSQ-RTBURBONSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001713912433 1418708218 /nfs/dbraw/zinc/70/82/18/1418708218.db2.gz XBUSFFGEYBDPFK-LNABZBCASA-N 2 0 345.531 3.035 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001714022454 1418805765 /nfs/dbraw/zinc/80/57/65/1418805765.db2.gz RUDYDCYMIGWSPI-LMCOJAPRSA-N 2 0 343.515 3.105 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714035985 1418824354 /nfs/dbraw/zinc/82/43/54/1418824354.db2.gz PGXDQAASWXZLMG-HKVCONOFSA-N 2 0 335.536 3.045 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714046214 1418841668 /nfs/dbraw/zinc/84/16/68/1418841668.db2.gz ZTRULOMXBMGNCH-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714053795 1418852575 /nfs/dbraw/zinc/85/25/75/1418852575.db2.gz NSLOMXJMOOZWNN-MHJFOBGBSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCC[C@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001714085134 1418878595 /nfs/dbraw/zinc/87/85/95/1418878595.db2.gz PTWZOJSONDDVSQ-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714086219 1418879492 /nfs/dbraw/zinc/87/94/92/1418879492.db2.gz JLQKWIMVIWPFTG-VOFKWLDRSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CC1CCC(C)CC1 ZINC001714095780 1418889182 /nfs/dbraw/zinc/88/91/82/1418889182.db2.gz NHUWIKFNHPDMAY-ABHNRTSZSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001714115273 1418917642 /nfs/dbraw/zinc/91/76/42/1418917642.db2.gz MEJIMSXWCZBBIB-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)[NH+](CC)CC ZINC001714115744 1418917928 /nfs/dbraw/zinc/91/79/28/1418917928.db2.gz UFDBPFMWGHKFBE-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ccc1C ZINC001714125486 1418929971 /nfs/dbraw/zinc/92/99/71/1418929971.db2.gz WWBYTTCKJBOLQL-PMACEKPBSA-N 2 0 345.531 3.162 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](CC)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001714125396 1418930313 /nfs/dbraw/zinc/93/03/13/1418930313.db2.gz VDSMZQAESLUZSD-PMACEKPBSA-N 2 0 345.531 3.108 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CCC1CCCCC1)C1CC1 ZINC001714169859 1418978050 /nfs/dbraw/zinc/97/80/50/1418978050.db2.gz OPJPFIKXYXNBGN-PZJWPPBQSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714267289 1419048861 /nfs/dbraw/zinc/04/88/61/1419048861.db2.gz KXNMKUNDIPJBND-YLJYHZDGSA-N 2 0 347.547 3.378 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001714282530 1419062575 /nfs/dbraw/zinc/06/25/75/1419062575.db2.gz UMHWIHLDFCXOCL-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001714289533 1419067943 /nfs/dbraw/zinc/06/79/43/1419067943.db2.gz LROUDVLLENDWHN-KRWDZBQOSA-N 2 0 335.536 3.092 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]C/C=C/Cl)CC1 ZINC001714317061 1419095462 /nfs/dbraw/zinc/09/54/62/1419095462.db2.gz NAAUTEOUYPZGRQ-POUMGEOWSA-N 2 0 341.927 3.022 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001714484442 1419207586 /nfs/dbraw/zinc/20/75/86/1419207586.db2.gz GETMLWVBQBIKPV-SJORKVTESA-N 2 0 331.504 3.106 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1CCCNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001714543287 1419268398 /nfs/dbraw/zinc/26/83/98/1419268398.db2.gz VHPWWAZNVHMSRE-FQEVSTJZSA-N 2 0 345.531 3.379 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCCCC1 ZINC001714563343 1419291514 /nfs/dbraw/zinc/29/15/14/1419291514.db2.gz FVAAPBVKMIUMBR-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CC1CCC(C)(C)CC1 ZINC001714572082 1419305178 /nfs/dbraw/zinc/30/51/78/1419305178.db2.gz JHLMNGHGKJJTGZ-CALCHBBNSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CCC[C@@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001714617908 1419381477 /nfs/dbraw/zinc/38/14/77/1419381477.db2.gz JMPUPZAPOOGTQO-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CCC[C@H]2CNC(=O)CCCC[NH+](C)C)c1 ZINC001714617907 1419381954 /nfs/dbraw/zinc/38/19/54/1419381954.db2.gz JMPUPZAPOOGTQO-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001714754477 1419495021 /nfs/dbraw/zinc/49/50/21/1419495021.db2.gz YFZUSIQDQWMQRJ-VQIMIIECSA-N 2 0 343.531 3.216 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001714806755 1419519278 /nfs/dbraw/zinc/51/92/78/1419519278.db2.gz LKPYVSRKTROZSZ-KEGWNNHHSA-N 2 0 335.536 3.044 10 0 EGAERP CCCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714856736 1419574117 /nfs/dbraw/zinc/57/41/17/1419574117.db2.gz SJDDRMYJOVGLIT-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001733220119 1429339049 /nfs/dbraw/zinc/33/90/49/1429339049.db2.gz RZGFCNZVZNIPME-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714977960 1419712649 /nfs/dbraw/zinc/71/26/49/1419712649.db2.gz PIGZGTZACHEWBT-UHDDOPSISA-N 2 0 349.563 3.482 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714977965 1419712773 /nfs/dbraw/zinc/71/27/73/1419712773.db2.gz PIGZGTZACHEWBT-UVEXCMSLSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C2CCCCC2)C1 ZINC001714995984 1419728420 /nfs/dbraw/zinc/72/84/20/1419728420.db2.gz CTKPDGXXRLYTCR-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001715050420 1419792208 /nfs/dbraw/zinc/79/22/08/1419792208.db2.gz YRUULEWHYZTZLR-IAGOWNOFSA-N 2 0 349.494 3.150 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC1CCCC1 ZINC001715100659 1419841136 /nfs/dbraw/zinc/84/11/36/1419841136.db2.gz UXPUDTZZHJMRCC-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001715102094 1419842956 /nfs/dbraw/zinc/84/29/56/1419842956.db2.gz VTHKGJUXGUURCB-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)C[NH2+]C[C@@](C)(NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001715113931 1419857466 /nfs/dbraw/zinc/85/74/66/1419857466.db2.gz XRGHDQSRFGZPSB-DYESRHJHSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715190504 1419922750 /nfs/dbraw/zinc/92/27/50/1419922750.db2.gz MMRQODUOLNWRPP-QUCCMNQESA-N 2 0 349.563 3.410 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)cc1 ZINC001715198694 1419930688 /nfs/dbraw/zinc/93/06/88/1419930688.db2.gz ZJQZRWOLFPDGFK-HXUWFJFHSA-N 2 0 349.494 3.015 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CCC2)C1 ZINC001715214324 1419946048 /nfs/dbraw/zinc/94/60/48/1419946048.db2.gz IRWIYFGQERLRLT-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001715249040 1419974707 /nfs/dbraw/zinc/97/47/07/1419974707.db2.gz DJEAYHRTHHEWQR-LJQANCHMSA-N 2 0 331.504 3.133 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c1cccc2ccccc21 ZINC001715251611 1419976474 /nfs/dbraw/zinc/97/64/74/1419976474.db2.gz RMWSKZMUHCGSQO-IAGOWNOFSA-N 2 0 341.499 3.194 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001715306222 1420014970 /nfs/dbraw/zinc/01/49/70/1420014970.db2.gz HUPPWYCAGTWQSG-RBUKOAKNSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)CCC[NH+]2CCCC2)CCCC1 ZINC001715308291 1420017367 /nfs/dbraw/zinc/01/73/67/1420017367.db2.gz ANOSVWRJFFFVOZ-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715396683 1420094337 /nfs/dbraw/zinc/09/43/37/1420094337.db2.gz ZSOMHFAYQBJIKF-KRWDZBQOSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001715401456 1420100054 /nfs/dbraw/zinc/10/00/54/1420100054.db2.gz NFVDAHRLQLHHNJ-IEBWSBKVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001715401458 1420100141 /nfs/dbraw/zinc/10/01/41/1420100141.db2.gz NFVDAHRLQLHHNJ-PKOBYXMFSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001715403574 1420102744 /nfs/dbraw/zinc/10/27/44/1420102744.db2.gz RPNVODXOOHIGFA-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001715408826 1420105691 /nfs/dbraw/zinc/10/56/91/1420105691.db2.gz DSSLRRLQWDDIJQ-HNAYVOBHSA-N 2 0 340.471 3.049 10 0 EGAERP C[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)[C@H]1C[NH2+]CCC1CCCC1 ZINC001715471468 1420150572 /nfs/dbraw/zinc/15/05/72/1420150572.db2.gz IQDXXOQANMLWEY-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1=CCCCC1 ZINC001715506191 1420189482 /nfs/dbraw/zinc/18/94/82/1420189482.db2.gz SGHMHDWPURPABW-HXUWFJFHSA-N 2 0 349.563 3.339 10 0 EGAERP O=C(C[NH+]1CCCC1)N[C@H]1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001715557638 1420251156 /nfs/dbraw/zinc/25/11/56/1420251156.db2.gz DRKOCVUMGZPOTO-UXHICEINSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)C1CCC1)[NH2+]CC1CCC(C)CC1 ZINC001715585833 1420261274 /nfs/dbraw/zinc/26/12/74/1420261274.db2.gz GWXHYMJVZHRGHU-FAFZWHIHSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCC1 ZINC001715594771 1420263777 /nfs/dbraw/zinc/26/37/77/1420263777.db2.gz JYTINWKIAHZSPH-GOSISDBHSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715624774 1420270135 /nfs/dbraw/zinc/27/01/35/1420270135.db2.gz XKTLKABUTOFDKV-UXHICEINSA-N 2 0 349.563 3.480 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001715668649 1420287249 /nfs/dbraw/zinc/28/72/49/1420287249.db2.gz BFFIYIYNFNOFPI-QZTJIDSGSA-N 2 0 345.531 3.415 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001715688172 1420295237 /nfs/dbraw/zinc/29/52/37/1420295237.db2.gz WIRMALJVXDPUAQ-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001715767084 1420332922 /nfs/dbraw/zinc/33/29/22/1420332922.db2.gz LEIBIFVQWFDTLC-RTBURBONSA-N 2 0 345.531 3.144 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001715970464 1420433168 /nfs/dbraw/zinc/43/31/68/1420433168.db2.gz PKJHAQQZLGVPNI-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001716076475 1420530549 /nfs/dbraw/zinc/53/05/49/1420530549.db2.gz ZJKFWRLKQSSQIM-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]([NH2+]CC[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001716164642 1420547611 /nfs/dbraw/zinc/54/76/11/1420547611.db2.gz XUHFVWHLKPVIQL-DLBZAZTESA-N 2 0 331.504 3.106 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCC1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716302621 1420598263 /nfs/dbraw/zinc/59/82/63/1420598263.db2.gz IDTZFFNNFZURBE-PRPIBZDOSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001716483078 1420701319 /nfs/dbraw/zinc/70/13/19/1420701319.db2.gz YJMYTCMURXNFQL-VQIMIIECSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@@H](C)NC(=O)CCC[NH+](C)C)c1 ZINC001716491889 1420713299 /nfs/dbraw/zinc/71/32/99/1420713299.db2.gz HTCYBXUSQQZHSW-MSOLQXFVSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)(C(=O)N[C@H](C[NH2+]CC1CCCCCC1)C1CC1)[NH+]1CCCC1 ZINC001716617540 1420780860 /nfs/dbraw/zinc/78/08/60/1420780860.db2.gz LIUNPAQXANGAQJ-LJQANCHMSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001716704050 1420858185 /nfs/dbraw/zinc/85/81/85/1420858185.db2.gz LHNFVXCCCHJREA-HCZHMGAMSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001716733205 1420891798 /nfs/dbraw/zinc/89/17/98/1420891798.db2.gz BEEJAUBAPZLYHA-FPOVZHCZSA-N 2 0 349.563 3.366 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC(C)(C)C)C[C@H]1C ZINC001716771253 1420914844 /nfs/dbraw/zinc/91/48/44/1420914844.db2.gz TUOJHJKMWQAMEQ-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001716791171 1420924509 /nfs/dbraw/zinc/92/45/09/1420924509.db2.gz ZZXKWTGKVUJUEL-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001716822631 1420948942 /nfs/dbraw/zinc/94/89/42/1420948942.db2.gz AHVUULUZEMLBPE-LJQANCHMSA-N 2 0 331.504 3.036 10 0 EGAERP C[NH+](C)CCCCC(=O)NCC1(C)CC[NH+](CCC(C)(C)C)CC1 ZINC001716888512 1421012189 /nfs/dbraw/zinc/01/21/89/1421012189.db2.gz FHDZKQIBTDLUSS-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001716896848 1421024691 /nfs/dbraw/zinc/02/46/91/1421024691.db2.gz XJGPJAJFYHSPED-TZIWHRDSSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001716964953 1421054639 /nfs/dbraw/zinc/05/46/39/1421054639.db2.gz GUCUERSMTWMDLT-PKOBYXMFSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)C[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001716984252 1421061175 /nfs/dbraw/zinc/06/11/75/1421061175.db2.gz FVTHKOBLUWXBBW-PKOBYXMFSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001716999278 1421069118 /nfs/dbraw/zinc/06/91/18/1421069118.db2.gz YPBGCTIWABSLEI-ACDBMABISA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030897 1421084560 /nfs/dbraw/zinc/08/45/60/1421084560.db2.gz GSTGSEXFTRJSFI-FORFBYLSSA-N 2 0 335.536 3.138 10 0 EGAERP CCCC[N@H+](C)Cc1ccccc1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717113884 1421117507 /nfs/dbraw/zinc/11/75/07/1421117507.db2.gz SHBKYYQZKLGFKN-UHFFFAOYSA-N 2 0 345.531 3.409 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCC1 ZINC001717152467 1421143167 /nfs/dbraw/zinc/14/31/67/1421143167.db2.gz CQIIRSVDNDXISU-QZTJIDSGSA-N 2 0 335.536 3.068 10 0 EGAERP CCC1([NH2+]Cc2cccc(C)c2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001717241933 1421210507 /nfs/dbraw/zinc/21/05/07/1421210507.db2.gz GQDCUHAZNXYLSD-UHFFFAOYSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)C2CC[NH+](C)CC2)CC1 ZINC001717243108 1421211775 /nfs/dbraw/zinc/21/17/75/1421211775.db2.gz XSEJKEJKAPOYGZ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001717303772 1421245613 /nfs/dbraw/zinc/24/56/13/1421245613.db2.gz CVDOBDKXCHWCED-FQEVSTJZSA-N 2 0 335.536 3.023 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001733289228 1429466485 /nfs/dbraw/zinc/46/64/85/1429466485.db2.gz OSXRDRBKAGFYEI-IRUYWQDXSA-N 2 0 349.563 3.389 10 0 EGAERP CC[C@@H]([NH2+]CC1CC(NC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1 ZINC001717384456 1421325817 /nfs/dbraw/zinc/32/58/17/1421325817.db2.gz HKWFTOPNOYTGPU-OUNSHVDWSA-N 2 0 343.515 3.106 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCCC2CCCC2)C1 ZINC001717394757 1421330430 /nfs/dbraw/zinc/33/04/30/1421330430.db2.gz SPCMHEPIUXOELW-MHJFOBGBSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717473613 1421406653 /nfs/dbraw/zinc/40/66/53/1421406653.db2.gz URMVZELEAYGKMT-MBOZVWFJSA-N 2 0 345.531 3.087 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1c(C)cccc1C ZINC001717474840 1421408337 /nfs/dbraw/zinc/40/83/37/1421408337.db2.gz UWVLMALGQUTFRQ-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@@]3(CC[NH+](CCCC(C)C)C3)C2)CC[N@@H+]1C ZINC001733297478 1429480651 /nfs/dbraw/zinc/48/06/51/1429480651.db2.gz ZJIXUKCBLHWBCQ-QKNQBKEWSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+]([C@H](C)c3ccccc3)C2)C1 ZINC001733298537 1429481445 /nfs/dbraw/zinc/48/14/45/1429481445.db2.gz WWGKBRNIGVYQFV-NQIIRXRSSA-N 2 0 343.515 3.012 10 0 EGAERP CCc1ccccc1C[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001717537980 1421476154 /nfs/dbraw/zinc/47/61/54/1421476154.db2.gz CIUTVRKYBCDFHE-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001717540329 1421480535 /nfs/dbraw/zinc/48/05/35/1421480535.db2.gz NNANYAOTWMXPGB-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@@H](C)NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001717552846 1421490101 /nfs/dbraw/zinc/49/01/01/1421490101.db2.gz MPVFNUMHMNJNPU-LLYBFZRZSA-N 2 0 340.471 3.049 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001717588690 1421517841 /nfs/dbraw/zinc/51/78/41/1421517841.db2.gz FUJNDBGWGPFYSO-VUOWKATKSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001733300237 1429485069 /nfs/dbraw/zinc/48/50/69/1429485069.db2.gz LPDBVNFHVRWESX-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001717630135 1421539681 /nfs/dbraw/zinc/53/96/81/1421539681.db2.gz FTWSJMWICCOQFD-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001717667685 1421558275 /nfs/dbraw/zinc/55/82/75/1421558275.db2.gz LHFVFFDQYTYIIR-AZUAARDMSA-N 2 0 345.531 3.242 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)CC1CC[NH+](C)CC1 ZINC001717686673 1421566211 /nfs/dbraw/zinc/56/62/11/1421566211.db2.gz HLXMTBTWPZLSGO-KRWDZBQOSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC([NH+](C)CCC(C)C)CC2)C1 ZINC001717702867 1421576530 /nfs/dbraw/zinc/57/65/30/1421576530.db2.gz GDENBOWQNOMJLB-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001717804513 1421631291 /nfs/dbraw/zinc/63/12/91/1421631291.db2.gz FSYALOLSCKVOJC-NYQZOWANSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001717852934 1421665096 /nfs/dbraw/zinc/66/50/96/1421665096.db2.gz FSOFYXCPLBEFPZ-MJGOQNOKSA-N 2 0 349.563 3.410 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001717893863 1421692406 /nfs/dbraw/zinc/69/24/06/1421692406.db2.gz IEOZKYMCDBLBIE-MSOLQXFVSA-N 2 0 337.552 3.122 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001717980693 1421752249 /nfs/dbraw/zinc/75/22/49/1421752249.db2.gz IERAMFHSDXMWGI-CWHLKURSSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1C[NH+](CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001733317938 1429503703 /nfs/dbraw/zinc/50/37/03/1429503703.db2.gz SSLYSDNWLDJBBF-IBGZPJMESA-N 2 0 349.563 3.076 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001733363969 1429549580 /nfs/dbraw/zinc/54/95/80/1429549580.db2.gz XJBKLJFTKBVHGG-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001733379419 1429563421 /nfs/dbraw/zinc/56/34/21/1429563421.db2.gz FNVFYPYCBQJSBR-GNAXCBTBSA-N 2 0 347.547 3.236 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@H]3CC[C@@H](C2)[NH+]3CCCC(C)(C)C)C1 ZINC001733390786 1429580353 /nfs/dbraw/zinc/58/03/53/1429580353.db2.gz ANTXFHAETZFPQN-OTWHNJEPSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@]1(C)CC[NH+](CC/C=C/c2ccccc2)C1 ZINC001733418149 1429623984 /nfs/dbraw/zinc/62/39/84/1429623984.db2.gz UYUQFBJFMAEDIS-NBILRRPASA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001733426335 1429633840 /nfs/dbraw/zinc/63/38/40/1429633840.db2.gz DULOOGAGNJQPIQ-TZIWHRDSSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001733426758 1429634520 /nfs/dbraw/zinc/63/45/20/1429634520.db2.gz JPMCEYYJQNJFHX-GOSISDBHSA-N 2 0 337.533 3.052 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001722954704 1424276322 /nfs/dbraw/zinc/27/63/22/1424276322.db2.gz OAJGGGZBNDUCNG-IAGOWNOFSA-N 2 0 325.541 3.029 10 0 EGAERP CN(CCC[NH2+]CCCC1CCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001723052785 1424293282 /nfs/dbraw/zinc/29/32/82/1424293282.db2.gz SDIQQOAIGMANOA-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001723610017 1424493196 /nfs/dbraw/zinc/49/31/96/1424493196.db2.gz SYFUPQWLXIADOR-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001723633369 1424499790 /nfs/dbraw/zinc/49/97/90/1424499790.db2.gz QAHQWLAACWNONB-KAGICYHLSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)=CC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)C1CCCCCC1 ZINC001723641020 1424508434 /nfs/dbraw/zinc/50/84/34/1424508434.db2.gz VSTTXPGYOFFDRR-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001723978763 1424616694 /nfs/dbraw/zinc/61/66/94/1424616694.db2.gz YYOGKYWJPQSFNK-PXNSSMCTSA-N 2 0 345.531 3.403 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1)[NH+]1CCCC1 ZINC001723981593 1424617026 /nfs/dbraw/zinc/61/70/26/1424617026.db2.gz IEQBAQJXLSWDEY-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001724024031 1424632653 /nfs/dbraw/zinc/63/26/53/1424632653.db2.gz VOAZGHUMJFYFJE-CEXWTWQISA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCCCC1 ZINC001724097429 1424661019 /nfs/dbraw/zinc/66/10/19/1424661019.db2.gz HDCHMEUOAAESGL-PXNSSMCTSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@]2(CC[N@H+](CC3CC3)C2)C1)[NH+](CC)CC ZINC001724125450 1424675881 /nfs/dbraw/zinc/67/58/81/1424675881.db2.gz GMJSYSAWKLBWJU-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001724340770 1424834759 /nfs/dbraw/zinc/83/47/59/1424834759.db2.gz NUSNLMRUOIPZKO-QUCCMNQESA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@]2(C)CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001724341904 1424837494 /nfs/dbraw/zinc/83/74/94/1424837494.db2.gz APMIHVHWQXFPKQ-PZJWPPBQSA-N 2 0 347.547 3.047 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CCC1CCCC1)C2 ZINC001724505990 1424882061 /nfs/dbraw/zinc/88/20/61/1424882061.db2.gz MRWCQMXDQCUWKY-ZCNNSNEGSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)(C)C)[NH+](C)C ZINC001724603348 1424934755 /nfs/dbraw/zinc/93/47/55/1424934755.db2.gz ODKAYWSZGIXYBW-XMTFNYHQSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001733566215 1429767614 /nfs/dbraw/zinc/76/76/14/1429767614.db2.gz BNKJIZLMCYOZSS-FHWLQOOXSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)(C)C ZINC001724655831 1425022039 /nfs/dbraw/zinc/02/20/39/1425022039.db2.gz MTKHGPOCEHKVIP-QYZOEREBSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733570593 1429773342 /nfs/dbraw/zinc/77/33/42/1429773342.db2.gz CVGQMMOGGQUHCP-AZUAARDMSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724734169 1425087056 /nfs/dbraw/zinc/08/70/56/1425087056.db2.gz NSNRFODSQMEVIB-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+](Cc1ccccc1CNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CC1 ZINC001724737477 1425096349 /nfs/dbraw/zinc/09/63/49/1425096349.db2.gz BCQGAPVPMBHTQL-FQEVSTJZSA-N 2 0 343.515 3.019 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001733572764 1429776665 /nfs/dbraw/zinc/77/66/65/1429776665.db2.gz VOVXODHSJDNIRA-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724833202 1425179051 /nfs/dbraw/zinc/17/90/51/1425179051.db2.gz BXCXMSXDXRNNSN-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001724853794 1425220689 /nfs/dbraw/zinc/22/06/89/1425220689.db2.gz WKSUKBYYEJIFCV-IBGZPJMESA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CC)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001724891997 1425279889 /nfs/dbraw/zinc/27/98/89/1425279889.db2.gz YOLWSDGPQBPTMY-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)[C@@H](C)C1 ZINC001724997292 1425403817 /nfs/dbraw/zinc/40/38/17/1425403817.db2.gz AREZECCUTVHCQL-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C/CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001725049761 1425481367 /nfs/dbraw/zinc/48/13/67/1425481367.db2.gz UDVXQSSHLGSXAT-HEVSSNLLSA-N 2 0 349.563 3.388 10 0 EGAERP O=C(NC1CC(C[NH2+]CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001725065380 1425506869 /nfs/dbraw/zinc/50/68/69/1425506869.db2.gz AVEXUVZGUMDRRY-UHFFFAOYSA-N 2 0 347.547 3.070 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(N(C)C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001725132456 1425602765 /nfs/dbraw/zinc/60/27/65/1425602765.db2.gz VPLJADVTVAEHPG-DAWZGUTISA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001725131903 1425602069 /nfs/dbraw/zinc/60/20/69/1425602069.db2.gz UYHLTSPNENBAII-JLAWEPINSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725135251 1425608737 /nfs/dbraw/zinc/60/87/37/1425608737.db2.gz QBAKUUPWATXXQI-WOKGBUJHSA-N 2 0 343.515 3.057 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001725138290 1425615118 /nfs/dbraw/zinc/61/51/18/1425615118.db2.gz YHIKATGFGGQERR-WWDZGPRUSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001725142402 1425621905 /nfs/dbraw/zinc/62/19/05/1425621905.db2.gz GGUYQIAHCMAHLU-UHFFFAOYSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)c1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725174128 1425687256 /nfs/dbraw/zinc/68/72/56/1425687256.db2.gz JPZOFJNISFQDKL-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)[C@H](C)CNC(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001725182336 1425708580 /nfs/dbraw/zinc/70/85/80/1425708580.db2.gz ZJOXYUCIVWFITK-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2CCC2CCCC2)C1 ZINC001725237879 1425831356 /nfs/dbraw/zinc/83/13/56/1425831356.db2.gz ACTMQZZYLDKJQY-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001725258696 1425885294 /nfs/dbraw/zinc/88/52/94/1425885294.db2.gz VQKSZIPEUZZYIC-MRXNPFEDSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CC2CC(C)(C)C2)C1 ZINC001725268587 1425903462 /nfs/dbraw/zinc/90/34/62/1425903462.db2.gz QPOZUYDDPPZTLM-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001725339365 1425988107 /nfs/dbraw/zinc/98/81/07/1425988107.db2.gz SVDPYUXCAJENLR-SREVYHEPSA-N 2 0 347.547 3.142 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001725420501 1426068529 /nfs/dbraw/zinc/06/85/29/1426068529.db2.gz VVDFTDHDFWOLOJ-QFBILLFUSA-N 2 0 345.531 3.020 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001725424465 1426082647 /nfs/dbraw/zinc/08/26/47/1426082647.db2.gz JTKAOVMZADUDRM-QRMWTIMZSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCC1 ZINC001725445981 1426108864 /nfs/dbraw/zinc/10/88/64/1426108864.db2.gz LJTOOFUTQPDOQL-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725471843 1426143010 /nfs/dbraw/zinc/14/30/10/1426143010.db2.gz JWVICTSVZQFUEV-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588778 1426244116 /nfs/dbraw/zinc/24/41/16/1426244116.db2.gz JIYYRFLQQVGNKD-WMZOPIPTSA-N 2 0 349.544 3.093 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CCC(C)CC1)CC2 ZINC001725618173 1426281506 /nfs/dbraw/zinc/28/15/06/1426281506.db2.gz CWARYDVLOLYVCC-KWOGNLBTSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725656186 1426339661 /nfs/dbraw/zinc/33/96/61/1426339661.db2.gz SUHYLMJEVBEXFN-WIJVFFIESA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001725666430 1426348934 /nfs/dbraw/zinc/34/89/34/1426348934.db2.gz QRHWDRPBZGXUTR-XFHJGTJQSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C(=O)C[NH+]2CC[C@@H](C)C2)C(C)C)cc1 ZINC001725730587 1426399952 /nfs/dbraw/zinc/39/99/52/1426399952.db2.gz XQYZBUSFTZYFGZ-LJQANCHMSA-N 2 0 345.531 3.006 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001725733272 1426405718 /nfs/dbraw/zinc/40/57/18/1426405718.db2.gz PMBHIWVRFIAPBO-IBGZPJMESA-N 2 0 339.568 3.466 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)C(C)C ZINC001725733685 1426406675 /nfs/dbraw/zinc/40/66/75/1426406675.db2.gz SLLZCXVIINGSHJ-MOPGFXCFSA-N 2 0 337.552 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C(C)(C)C ZINC001725736695 1426411072 /nfs/dbraw/zinc/41/10/72/1426411072.db2.gz DEMQRQWUEBVGNS-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001725763379 1426445153 /nfs/dbraw/zinc/44/51/53/1426445153.db2.gz TYRDJQCNBFPTHW-OANMOWAGSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC2)CC1)[NH+]1CCCCC1 ZINC001725771250 1426455403 /nfs/dbraw/zinc/45/54/03/1426455403.db2.gz LDDIMGJIIFJGPF-FXAWDEMLSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001725793249 1426478965 /nfs/dbraw/zinc/47/89/65/1426478965.db2.gz CFKKRUIXBPSMEG-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[N@H+]1CC=C(CNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001725823910 1426498778 /nfs/dbraw/zinc/49/87/78/1426498778.db2.gz AHTWNEDIAYKGQS-WAYWQWQTSA-N 2 0 347.547 3.213 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001731262493 1427210853 /nfs/dbraw/zinc/21/08/53/1427210853.db2.gz JFWPWOXOKDWFRS-IHPCNDPISA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001731294502 1427236772 /nfs/dbraw/zinc/23/67/72/1427236772.db2.gz RGNXGLOUPDONIH-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](Cc1ccsc1)C1CC1 ZINC001731346281 1427284112 /nfs/dbraw/zinc/28/41/12/1427284112.db2.gz LVFDIWPKJQRENB-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001731423703 1427403420 /nfs/dbraw/zinc/40/34/20/1427403420.db2.gz AGCXGILRRBWJLQ-OALUTQOASA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC001731429199 1427411386 /nfs/dbraw/zinc/41/13/86/1427411386.db2.gz QPGQERNAGUBBGQ-UVRCQCPESA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001731433213 1427414952 /nfs/dbraw/zinc/41/49/52/1427414952.db2.gz SZTHSBKAOLUIJR-FPXQDXNASA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H]2CCc3ccccc32)C1)[NH+](CC)CC ZINC001731486821 1427461359 /nfs/dbraw/zinc/46/13/59/1427461359.db2.gz WSZANBWXUOBOMI-HNJRGHQBSA-N 2 0 343.515 3.031 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)C)C1 ZINC001731507944 1427496186 /nfs/dbraw/zinc/49/61/86/1427496186.db2.gz XSOXHNNJUXVAPT-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001731546943 1427563445 /nfs/dbraw/zinc/56/34/45/1427563445.db2.gz ZHOKTSXAPCTGEH-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C(=O)NC1CCC([NH2+]Cc2ccccc2)CC1)[NH+](CC)CC ZINC001731571388 1427612087 /nfs/dbraw/zinc/61/20/87/1427612087.db2.gz GEDKGEHLPHAYOL-MHJFOBGBSA-N 2 0 345.531 3.324 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)Cc1ccsc1 ZINC001731782241 1427905944 /nfs/dbraw/zinc/90/59/44/1427905944.db2.gz IBUZCOLWRXEDJB-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP CCc1ccccc1C[N@H+](CC)CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001731816736 1428012864 /nfs/dbraw/zinc/01/28/64/1428012864.db2.gz QVYZSZQPJVKMPH-HDICACEKSA-N 2 0 345.531 3.060 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001731843347 1428066304 /nfs/dbraw/zinc/06/63/04/1428066304.db2.gz VZAGDUPXWUWBEB-PWBPZBFBSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001731854096 1428085167 /nfs/dbraw/zinc/08/51/67/1428085167.db2.gz CBJYOMNRNOAJAS-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@@H+](CC=C(C)C)CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001731864481 1428109075 /nfs/dbraw/zinc/10/90/75/1428109075.db2.gz KSEHONXITODRKJ-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[NH+](CC1CCCCC1)C1CC1 ZINC001731876826 1428140902 /nfs/dbraw/zinc/14/09/02/1428140902.db2.gz UAZJAGLLUIPPFB-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001731973654 1428190679 /nfs/dbraw/zinc/19/06/79/1428190679.db2.gz HSJDTCLOFWRIRG-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001731987918 1428198536 /nfs/dbraw/zinc/19/85/36/1428198536.db2.gz OQVKDVPAEDVNSO-KRWDZBQOSA-N 2 0 347.547 3.433 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664846 1429858159 /nfs/dbraw/zinc/85/81/59/1429858159.db2.gz CVPBPYOIDGHSGL-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)C23CCC[NH+]2CCC3)cc1 ZINC001733681932 1429892710 /nfs/dbraw/zinc/89/27/10/1429892710.db2.gz MKDQMISZQRWLTE-QGZVFWFLSA-N 2 0 343.515 3.382 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001733683595 1429898393 /nfs/dbraw/zinc/89/83/93/1429898393.db2.gz FFTBIZGNPKUIGQ-IAGOWNOFSA-N 2 0 343.515 3.095 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001733692364 1429909633 /nfs/dbraw/zinc/90/96/33/1429909633.db2.gz ZTIOHFFPZDUJJT-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716071 1429935134 /nfs/dbraw/zinc/93/51/34/1429935134.db2.gz DFXMHBNLCNICRT-KRWDZBQOSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001733762180 1429978399 /nfs/dbraw/zinc/97/83/99/1429978399.db2.gz HWBBPAARFVDRSE-ZMHWVXQFSA-N 2 0 335.536 3.044 10 0 EGAERP CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001733779959 1430040143 /nfs/dbraw/zinc/04/01/43/1430040143.db2.gz ZXGTZXXREKLOFY-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)cc1 ZINC001733780475 1430042551 /nfs/dbraw/zinc/04/25/51/1430042551.db2.gz FNRWXJLIUIQDLK-RTBURBONSA-N 2 0 345.531 3.148 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(CC)([NH2+]CC(C)C)CC2)C1 ZINC001733804696 1430073592 /nfs/dbraw/zinc/07/35/92/1430073592.db2.gz FRSBYVXLYIWSBC-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+]C1(CC)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001733806895 1430078163 /nfs/dbraw/zinc/07/81/63/1430078163.db2.gz ZBZKZHZBOWPTIK-GOSISDBHSA-N 2 0 337.552 3.410 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCC2=CCCCC2)CC1 ZINC001733863807 1437692383 /nfs/dbraw/zinc/69/23/83/1437692383.db2.gz DZCPAYLQBLIWKB-LJQANCHMSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H](C(=O)N1CCC(C)([NH2+]CCC2CC2)CC1)[NH+]1CCCCCC1 ZINC001733865349 1437693229 /nfs/dbraw/zinc/69/32/29/1437693229.db2.gz KFLGENMPUPVAHZ-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001733877294 1437704633 /nfs/dbraw/zinc/70/46/33/1437704633.db2.gz CHZCFBUIZTTWIN-MOPGFXCFSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@H]1C ZINC001733904572 1437723031 /nfs/dbraw/zinc/72/30/31/1437723031.db2.gz ZZPVZJUOHJMYKT-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)C[N@@H+]1CCc2ccccc2[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001733907939 1437726565 /nfs/dbraw/zinc/72/65/65/1437726565.db2.gz YCNXGRBBGWZNSM-FQEVSTJZSA-N 2 0 345.531 3.090 10 0 EGAERP CC[N@H+](CC1CCN(C(=O)CC[NH+](C)C)CC1)[C@@H](C)c1ccccc1 ZINC001733920215 1437734002 /nfs/dbraw/zinc/73/40/02/1437734002.db2.gz ZVWHGFQLDFNQLI-SFHVURJKSA-N 2 0 345.531 3.260 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2CC(C[NH2+]CC3CCCC3)C2)CCCCC1 ZINC001733951589 1437762453 /nfs/dbraw/zinc/76/24/53/1437762453.db2.gz DIEBOFCMCPINSD-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)cc1C ZINC001733996260 1437789924 /nfs/dbraw/zinc/78/99/24/1437789924.db2.gz DKDNHEIFDQBFNX-OALUTQOASA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+][C@H]1CCc2ccccc21)[NH+](C)C ZINC001734021161 1437810156 /nfs/dbraw/zinc/81/01/56/1437810156.db2.gz ZNMWNZXPHJJZFR-RBUKOAKNSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734025110 1437812924 /nfs/dbraw/zinc/81/29/24/1437812924.db2.gz JHXAZHLEGRMZDZ-QZTJIDSGSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001734056906 1437848606 /nfs/dbraw/zinc/84/86/06/1437848606.db2.gz DRGVDRBXIPLXOS-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CCC[N@H+](CC1CCCCC1)C2 ZINC001734196451 1437937340 /nfs/dbraw/zinc/93/73/40/1437937340.db2.gz JHPVOJBRLOIVRH-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001734285448 1438013467 /nfs/dbraw/zinc/01/34/67/1438013467.db2.gz SQYYSMLNVDOFKU-QUCCMNQESA-N 2 0 345.531 3.498 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)CN(C)C(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001734331365 1438054815 /nfs/dbraw/zinc/05/48/15/1438054815.db2.gz MONZBTYISOQCFX-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001734460090 1438117168 /nfs/dbraw/zinc/11/71/68/1438117168.db2.gz OEURNIYYNFAASZ-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C(C)C ZINC001734547473 1438142998 /nfs/dbraw/zinc/14/29/98/1438142998.db2.gz KTEQVDVQHVUDGS-ROUUACIJSA-N 2 0 325.541 3.074 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)C(C)(C)C ZINC001734565275 1438161070 /nfs/dbraw/zinc/16/10/70/1438161070.db2.gz WMSFWYPMVQICAO-KRWDZBQOSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CCC2CC2)CC1 ZINC001734587406 1438177382 /nfs/dbraw/zinc/17/73/82/1438177382.db2.gz KGMIZKNLAXXDTG-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001734595160 1438180662 /nfs/dbraw/zinc/18/06/62/1438180662.db2.gz VFJXQECWECNJQP-DHHSTFCISA-N 2 0 335.536 3.185 10 0 EGAERP C[NH+](C)CCCCC(=O)NCC1=CC[N@H+](CC2CCCCC2)CC1 ZINC001734634594 1438195109 /nfs/dbraw/zinc/19/51/09/1438195109.db2.gz IMBMYSIWQCOCPB-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CC1CC(C)(C)C1 ZINC001750933193 1440114117 /nfs/dbraw/zinc/11/41/17/1440114117.db2.gz LBFHLJPAJMPESO-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)CC1CCCCC1 ZINC001750934416 1440114594 /nfs/dbraw/zinc/11/45/94/1440114594.db2.gz REZRURXYNDLFMX-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC=C(C)C)CC(C)(C)C1 ZINC001750944450 1440117897 /nfs/dbraw/zinc/11/78/97/1440117897.db2.gz LSVJCERTYBKIME-GOSISDBHSA-N 2 0 337.552 3.291 10 0 EGAERP CC[N@H+](CCOC)CC[C@@H]([NH2+]C)c1ccc(Br)cc1 ZINC000053941333 214205466 /nfs/dbraw/zinc/20/54/66/214205466.db2.gz MSWJFTMXEQEOOM-OAHLLOKOSA-N 2 0 329.282 3.068 10 0 EGAERP C[C@@H]([NH3+])CCC(=O)N1CC[N@H+](Cc2ccccc2)C2(CCCCC2)C1 ZINC000193320822 240105028 /nfs/dbraw/zinc/10/50/28/240105028.db2.gz VETHDFJNGAPSKM-GOSISDBHSA-N 2 0 343.515 3.161 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000268820341 252270518 /nfs/dbraw/zinc/27/05/18/252270518.db2.gz RUJTZZJLOULWSX-TYCQWZJGSA-N 2 0 342.458 3.359 10 0 EGAERP O=C(CN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccc(Cl)cc1 ZINC000246842022 141039164 /nfs/dbraw/zinc/03/91/64/141039164.db2.gz OTJWXZLDHHOGOV-KBXCAEBGSA-N 2 0 347.890 3.227 10 0 EGAERP C[C@H]([NH2+]CCOCCOc1ccccc1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000347923767 141217838 /nfs/dbraw/zinc/21/78/38/141217838.db2.gz DOKPAUVUJPRSRF-OALUTQOASA-N 2 0 346.515 3.325 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000353464394 141303044 /nfs/dbraw/zinc/30/30/44/141303044.db2.gz UNOBVKGHIPPCCX-FHWLQOOXSA-N 2 0 329.488 3.365 10 0 EGAERP C[C@H](NC(=O)CC[C@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000356230563 141324088 /nfs/dbraw/zinc/32/40/88/141324088.db2.gz MITGELIBYQVZLI-ILZDJORESA-N 2 0 331.504 3.059 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2cnc(-c3ccncc3)s2)CC1 ZINC000344833229 144228643 /nfs/dbraw/zinc/22/86/43/144228643.db2.gz DWMSIKGOWGFQAM-UHFFFAOYSA-N 2 0 330.501 3.415 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H]2CCN(Cc3ccccn3)C[C@@H]2C)CC1 ZINC000121813248 152372979 /nfs/dbraw/zinc/37/29/79/152372979.db2.gz IRFCDWBURJIRQI-GHTZIAJQSA-N 2 0 344.547 3.004 10 0 EGAERP CN1CC[NH+]([C@@H]2CCCCN(Cc3ccc(Cl)c(F)c3)C2)CC1 ZINC000189963849 153108428 /nfs/dbraw/zinc/10/84/28/153108428.db2.gz KPCAYZKLAZRJDG-MRXNPFEDSA-N 2 0 339.886 3.081 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192872772 153263485 /nfs/dbraw/zinc/26/34/85/153263485.db2.gz CTZOEIVTEDXJRQ-ZNDGOPKYSA-N 2 0 327.516 3.427 10 0 EGAERP CC(C)(C)[C@@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310156484 154140275 /nfs/dbraw/zinc/14/02/75/154140275.db2.gz QGYFFYPHIPCEMM-IBGZPJMESA-N 2 0 330.516 3.382 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248990832 163049211 /nfs/dbraw/zinc/04/92/11/163049211.db2.gz NHVHKZNIZXBPMF-NCYKPQTJSA-N 2 0 327.516 3.113 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354355035 166008516 /nfs/dbraw/zinc/00/85/16/166008516.db2.gz ZYFBWYKNIXRPJM-UHFFFAOYSA-N 2 0 330.451 3.223 10 0 EGAERP C[N@H+](CCc1cccnc1)[C@@H]1CCC[NH+](CCc2cccnc2)CC1 ZINC000338940021 163396301 /nfs/dbraw/zinc/39/63/01/163396301.db2.gz QXGMLIHYNMSNAL-OAQYLSRUSA-N 2 0 338.499 3.048 10 0 EGAERP Cn1nccc1[C@@H]1CCCC[N@@H+]1Cc1cc(-n2ccnc2)cs1 ZINC000343667551 164007624 /nfs/dbraw/zinc/00/76/24/164007624.db2.gz ZORZWFMUMATEKI-KRWDZBQOSA-N 2 0 327.457 3.395 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+](C)[C@H](C)[C@H]1Cc2ccccc2O1 ZINC000346178764 164357941 /nfs/dbraw/zinc/35/79/41/164357941.db2.gz SIVPEFFKSIMXEG-IIBYNOLFSA-N 2 0 348.450 3.400 10 0 EGAERP C[C@@H]1C[C@H](C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350317714 165029885 /nfs/dbraw/zinc/02/98/85/165029885.db2.gz MWQFTHAERNJUAZ-IEBWSBKVSA-N 2 0 331.504 3.435 10 0 EGAERP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000351663595 165123117 /nfs/dbraw/zinc/12/31/17/165123117.db2.gz FWQIKXOPBGKEHX-GOSISDBHSA-N 2 0 338.499 3.395 10 0 EGAERP c1nc2c([nH]1)C[C@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CC2 ZINC000368087632 168308849 /nfs/dbraw/zinc/30/88/49/168308849.db2.gz BPSLJPFBIRWIHQ-MRXNPFEDSA-N 2 0 343.434 3.396 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268976243 266284496 /nfs/dbraw/zinc/28/44/96/266284496.db2.gz NQYFLUJRQCPJPG-ICSRJNTNSA-N 2 0 330.516 3.429 10 0 EGAERP CC1(C[NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CCC1 ZINC000289631654 276369117 /nfs/dbraw/zinc/36/91/17/276369117.db2.gz LZIQOKUSLPMDDT-FQEVSTJZSA-N 2 0 327.516 3.069 10 0 EGAERP CC(C)[C@H]1C[C@H]([NH2+]Cc2ccncc2OCCC[NH+](C)C)CS1 ZINC000289994234 276431574 /nfs/dbraw/zinc/43/15/74/276431574.db2.gz CLAXZIXRKJBXJZ-FUHWJXTLSA-N 2 0 337.533 3.032 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1[NH2+][C@@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000305754980 288107288 /nfs/dbraw/zinc/10/72/88/288107288.db2.gz FIDDHUJXRGDSPX-QBPKDAKJSA-N 2 0 339.524 3.094 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000353454202 279137395 /nfs/dbraw/zinc/13/73/95/279137395.db2.gz IIUFASXIYWSGQC-HBMCJLEFSA-N 3 0 329.532 3.491 10 0 EGAERP CC(C)[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1ccc(F)c(F)c1 ZINC000181937509 280320647 /nfs/dbraw/zinc/32/06/47/280320647.db2.gz NWHRVKPBPNEOTE-IBGZPJMESA-N 2 0 339.474 3.278 10 0 EGAERP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@@H](c1ccccc1)[NH+](C)C ZINC000356230566 299046124 /nfs/dbraw/zinc/04/61/24/299046124.db2.gz MITGELIBYQVZLI-QRFRQXIXSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@H]1C[C@H]1C ZINC000414074489 309059260 /nfs/dbraw/zinc/05/92/60/309059260.db2.gz MUYLMWKINHCKFR-LZJOCLMNSA-N 2 0 346.515 3.310 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2C[C@@H](C)O[C@@H]2C)CC1 ZINC000414246937 309068676 /nfs/dbraw/zinc/06/86/76/309068676.db2.gz BYYPWIWWEFDNPT-SOAMZJECSA-N 2 0 330.516 3.485 10 0 EGAERP CC[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[C@@H](O)C(C)C ZINC000414302788 309071635 /nfs/dbraw/zinc/07/16/35/309071635.db2.gz BWIHVTOZNXVCBA-YYWHXJBOSA-N 2 0 332.532 3.467 10 0 EGAERP CC1(C)C[C@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCO1 ZINC000248417685 308002527 /nfs/dbraw/zinc/00/25/27/308002527.db2.gz RNZVRTQSQRGFDR-MTQWCTHYSA-N 2 0 328.500 3.444 10 0 EGAERP C[N@H+](C[C@@H](O)CC1CCCC1)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000248971417 308015939 /nfs/dbraw/zinc/01/59/39/308015939.db2.gz CQMRQSCWKLOEDZ-SFTDATJTSA-N 2 0 330.516 3.382 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3sc(Br)cc32)C1 ZINC000293728535 308156739 /nfs/dbraw/zinc/15/67/39/308156739.db2.gz MVBLFTCBLWILSM-CMPLNLGQSA-N 2 0 329.307 3.429 10 0 EGAERP COc1ccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414816610 309103543 /nfs/dbraw/zinc/10/35/43/309103543.db2.gz QEZISLDLYWNXBH-GJZGRUSLSA-N 2 0 341.455 3.222 10 0 EGAERP c1c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2ccncc2)nn1-c1ccccc1 ZINC000414826337 309103910 /nfs/dbraw/zinc/10/39/10/309103910.db2.gz FMXDRKXFJMYMEN-QGZVFWFLSA-N 2 0 347.466 3.024 10 0 EGAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000414824600 309103924 /nfs/dbraw/zinc/10/39/24/309103924.db2.gz AZIKMNCXWNKGEB-NWDGAFQWSA-N 2 0 329.257 3.108 10 0 EGAERP C[C@@H]1CCC[C@H]([NH+]2CCC(NCCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876675 309106813 /nfs/dbraw/zinc/10/68/13/309106813.db2.gz KTKWBEAQRIQVEP-NQIIRXRSSA-N 2 0 344.547 3.194 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@H]1CC[C@H](C[NH3+])C1 ZINC000415033128 309115600 /nfs/dbraw/zinc/11/56/00/309115600.db2.gz IOYHMPAERUJBGM-SUNKGSAMSA-N 2 0 329.257 3.236 10 0 EGAERP COC(=O)c1ccc(Cl)c(CN2CCCC[C@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415059448 309117397 /nfs/dbraw/zinc/11/73/97/309117397.db2.gz WXEDHEWDOXWGTB-PBHICJAKSA-N 2 0 336.863 3.091 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@@H]2CCOc3ccc(Br)cc32)CC1 ZINC000415106799 309120733 /nfs/dbraw/zinc/12/07/33/309120733.db2.gz NIDIKGZAZPGZPS-ABIUDSBCSA-N 2 0 339.277 3.380 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@@H]3OCCC[C@H]3[NH3+])CC2)cc1C ZINC000415118049 309121508 /nfs/dbraw/zinc/12/15/08/309121508.db2.gz DNJOYILEMIWPET-QUCCMNQESA-N 2 0 332.488 3.030 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000415941183 309150222 /nfs/dbraw/zinc/15/02/22/309150222.db2.gz FLKCSEGARQWVCS-IYBDPMFKSA-N 2 0 332.492 3.181 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000415944086 309150400 /nfs/dbraw/zinc/15/04/00/309150400.db2.gz NVSYOURAOQBYFS-LJQANCHMSA-N 2 0 340.471 3.221 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](C)CCCCOC)CC1 ZINC000418138759 309237350 /nfs/dbraw/zinc/23/73/50/309237350.db2.gz SPNLCPUEGDIVRR-UHFFFAOYSA-N 2 0 333.520 3.077 10 0 EGAERP COCc1cccc(OCC2(C[N@@H+]3CC[C@H](C)[C@H](C[NH3+])C3)CCC2)c1 ZINC000420406376 309286879 /nfs/dbraw/zinc/28/68/79/309286879.db2.gz NUVWQHJXUYRTON-PKOBYXMFSA-N 2 0 346.515 3.299 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2C[C@H]([NH3+])c3ccccc32)cc1OC ZINC000422699855 309363534 /nfs/dbraw/zinc/36/35/34/309363534.db2.gz BKJRIMJGWJCWFW-ZWKOTPCHSA-N 2 0 326.440 3.371 10 0 EGAERP COc1ccc([C@H](NC[C@H](C)C[NH+]2CCCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422709509 309364127 /nfs/dbraw/zinc/36/41/27/309364127.db2.gz KLQVDWFVFLGPTD-YYWHXJBOSA-N 2 0 345.531 3.200 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccccc1)c1ccccc1F ZINC000422775788 309367728 /nfs/dbraw/zinc/36/77/28/309367728.db2.gz CICICNNJIBNHKD-FXAWDEMLSA-N 2 0 330.447 3.453 10 0 EGAERP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)c1 ZINC000422779109 309367839 /nfs/dbraw/zinc/36/78/39/309367839.db2.gz BKLDOSGUDHOUPT-GEALJGNFSA-N 2 0 332.488 3.363 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)N[C@H](C[NH+]1CCCC1)c1ccccc1 ZINC000422802298 309369314 /nfs/dbraw/zinc/36/93/14/309369314.db2.gz HBJBHHCLCPPDPA-DYESRHJHSA-N 2 0 338.499 3.336 10 0 EGAERP C[C@H](NC[C@@H]1CCC[N@H+](Cc2cccs2)C1)c1c[nH+]ccc1N ZINC000422833445 309370855 /nfs/dbraw/zinc/37/08/55/309370855.db2.gz GWTXBPQLARHAGI-GJZGRUSLSA-N 2 0 330.501 3.118 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(OC[C@@H]2CCOC2)c1 ZINC000422866348 309372724 /nfs/dbraw/zinc/37/27/24/309372724.db2.gz QEPMNUONYOSAOO-ZIFCJYIRSA-N 2 0 332.488 3.017 10 0 EGAERP Cc1nc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887562 309374262 /nfs/dbraw/zinc/37/42/62/309374262.db2.gz BGJWQZWXRZZGBN-APWZRJJASA-N 2 0 343.496 3.148 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@H](C)c2cnccc2N)cc1 ZINC000422889792 309374532 /nfs/dbraw/zinc/37/45/32/309374532.db2.gz GVQKWUWVEHZGKC-MRXNPFEDSA-N 2 0 342.487 3.066 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]C1CCN(C(=O)c2ccccc2)CC1 ZINC000422930680 309376557 /nfs/dbraw/zinc/37/65/57/309376557.db2.gz VLZBZCZTYXFFDE-XLIONFOSSA-N 2 0 343.515 3.192 10 0 EGAERP Clc1cccc(CC[NH2+][C@@H]2CCOC[C@H]2[C@@H]2CCC[NH2+]2)c1Cl ZINC000422930010 309376590 /nfs/dbraw/zinc/37/65/90/309376590.db2.gz ASHGWUMUXMAQMP-CWRNSKLLSA-N 2 0 343.298 3.283 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nc(-c2ccccc2)c(C)s1 ZINC000422932534 309376712 /nfs/dbraw/zinc/37/67/12/309376712.db2.gz ZKFQRRLPZSIZMD-MRXNPFEDSA-N 2 0 333.501 3.005 10 0 EGAERP C[C@H](Nc1cccc(C[N@H+]2C[C@@H](C)O[C@@H](C)C2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422956023 309378015 /nfs/dbraw/zinc/37/80/15/309378015.db2.gz OEWCBSGSAAVYGR-CLWJZODNSA-N 2 0 331.504 3.238 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@H](c1ccco1)N1CCCCC1 ZINC000422962320 309378465 /nfs/dbraw/zinc/37/84/65/309378465.db2.gz FHSAZQUUQUWCJZ-HNAYVOBHSA-N 2 0 342.487 3.320 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)NC[C@H](C(C)C)[NH+]1CCCCCC1 ZINC000422962752 309378596 /nfs/dbraw/zinc/37/85/96/309378596.db2.gz GUCAPALDLNOOQL-OXJNMPFZSA-N 2 0 332.536 3.400 10 0 EGAERP C[C@H]([NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1C[NH2+]C1 ZINC000422997551 309380137 /nfs/dbraw/zinc/38/01/37/309380137.db2.gz OGOAGEXSUKEZTC-AWEZNQCLSA-N 2 0 330.422 3.316 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@@H]1c1ccc(F)c(F)c1 ZINC000423021055 309381357 /nfs/dbraw/zinc/38/13/57/309381357.db2.gz DGWOPURFFYKFPM-HAGHYFMRSA-N 2 0 343.421 3.444 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H](C)C2C[NH2+]C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423039856 309382387 /nfs/dbraw/zinc/38/23/87/309382387.db2.gz GBIXAICHDLYVRD-IGNZVWTISA-N 2 0 339.886 3.200 10 0 EGAERP CC(C)N1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@@H]1c1ccc(F)c(F)c1 ZINC000423043654 309382582 /nfs/dbraw/zinc/38/25/82/309382582.db2.gz PLWKRCPYMBTYIX-YWEGSRERSA-N 2 0 349.469 3.361 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423070429 309384292 /nfs/dbraw/zinc/38/42/92/309384292.db2.gz NHBJSANFKLXDAW-OAHLLOKOSA-N 2 0 332.410 3.327 10 0 EGAERP c1ccc(N2CCC(C[NH2+][C@@H]3CCC[C@@H]3[C@@H]3CCC[NH2+]3)CC2)cc1 ZINC000423088380 309385443 /nfs/dbraw/zinc/38/54/43/309385443.db2.gz RTTWYHMIHMADJN-QHAWAJNXSA-N 2 0 327.516 3.413 10 0 EGAERP C[C@H](NCCC[NH2+]Cc1cccnc1)c1ccnn1-c1ccccc1 ZINC000423189496 309389794 /nfs/dbraw/zinc/38/97/94/309389794.db2.gz POHIYHRGTKHIJO-KRWDZBQOSA-N 2 0 335.455 3.098 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21)[C@H]1CCC[NH2+]C1 ZINC000423221863 309391129 /nfs/dbraw/zinc/39/11/29/309391129.db2.gz YMQJODIZOMOQQT-MKBNYLNASA-N 2 0 327.394 3.456 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@@H]1CCc2cccc(Br)c2C1 ZINC000423267270 309393244 /nfs/dbraw/zinc/39/32/44/309393244.db2.gz CQQGKLCYAZCQHF-VBQJREDUSA-N 2 0 337.305 3.414 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCC[C@H]1C[NH3+])c1ccc(-n2cncn2)cc1Cl ZINC000423272436 309393568 /nfs/dbraw/zinc/39/35/68/309393568.db2.gz HZSZDTRNCGCFAC-DCGLDWPTSA-N 2 0 333.867 3.089 10 0 EGAERP C[C@@]1(C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)CCC[NH2+]C1 ZINC000423325412 309395177 /nfs/dbraw/zinc/39/51/77/309395177.db2.gz BUVAEABYPHXNCF-HZPDHXFCSA-N 2 0 327.394 3.457 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](Cc2cc3cccnc3o2)CC1 ZINC000449036879 310031825 /nfs/dbraw/zinc/03/18/25/310031825.db2.gz LIIHLWCZWYOLFS-UHFFFAOYSA-N 2 0 345.487 3.398 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@@H](c2ccc(Cl)cc2)C1 ZINC000449123663 310038811 /nfs/dbraw/zinc/03/88/11/310038811.db2.gz OCARZCSXHPNBHD-SUMDDJOVSA-N 2 0 335.923 3.202 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2[C@@H]3CCO[C@H]3C2(C)C)CC1 ZINC000449165193 310041545 /nfs/dbraw/zinc/04/15/45/310041545.db2.gz UMBPEVZFOTUAPM-UMSONDCASA-N 2 0 342.527 3.485 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@H+](C)[C@H](C)C2)CC1 ZINC000449168271 310041845 /nfs/dbraw/zinc/04/18/45/310041845.db2.gz CZGZYQHDBAEPAH-OPYAIIAOSA-N 2 0 329.532 3.154 10 0 EGAERP CCC[C@H](CCO)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449168439 310041890 /nfs/dbraw/zinc/04/18/90/310041890.db2.gz ASEROLGQWWCIHW-AZUAARDMSA-N 2 0 332.532 3.470 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@]2(O)CCSC2)CC1 ZINC000449192052 310043458 /nfs/dbraw/zinc/04/34/58/310043458.db2.gz XVASNXCVEBEQJE-SFHVURJKSA-N 2 0 328.566 3.123 10 0 EGAERP CO[C@@H]1CCC[C@@H]1C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449200406 310044083 /nfs/dbraw/zinc/04/40/83/310044083.db2.gz DUELKMWKMREEQU-FBBABVLZSA-N 2 0 330.516 3.487 10 0 EGAERP CCOC(=O)[C@H](C)[C@@H](C)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449242198 310047119 /nfs/dbraw/zinc/04/71/19/310047119.db2.gz WMSOTGZUUCACOC-RCCFBDPRSA-N 2 0 346.515 3.259 10 0 EGAERP CC(C)[C@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C(C)(C)O ZINC000449276690 310049420 /nfs/dbraw/zinc/04/94/20/310049420.db2.gz CSMXNQXCESPFKT-PXNSSMCTSA-N 2 0 332.532 3.467 10 0 EGAERP CO[C@@](C)(C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449334711 310054373 /nfs/dbraw/zinc/05/43/73/310054373.db2.gz GJXIPBMOKGHLAV-UWJYYQICSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@@H](Cc1cnn(C)c1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449588700 310074170 /nfs/dbraw/zinc/07/41/70/310074170.db2.gz QQOKUBUTRQFGAQ-ROUUACIJSA-N 2 0 340.515 3.036 10 0 EGAERP CC[C@@H](O)C[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453027446 310253439 /nfs/dbraw/zinc/25/34/39/310253439.db2.gz VJADXVOARBQZPS-WOJBJXKFSA-N 2 0 330.516 3.380 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(-c2ccccc2)nn1C ZINC000453124902 310259616 /nfs/dbraw/zinc/25/96/16/310259616.db2.gz ITXZILBWDWWMSM-SJLPKXTDSA-N 2 0 344.503 3.095 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@H]1CCCN1CCCO)c1ccc(F)c(F)c1 ZINC000453272808 310268399 /nfs/dbraw/zinc/26/83/99/310268399.db2.gz VIMAWLZIDJBMAW-CRAIPNDOSA-N 2 0 326.431 3.098 10 0 EGAERP CC1(C)NC(=O)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000494911738 311522378 /nfs/dbraw/zinc/52/23/78/311522378.db2.gz RXEUCGIXCMZVFM-IBGZPJMESA-N 2 0 343.515 3.209 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCCCO1 ZINC000507484749 312074550 /nfs/dbraw/zinc/07/45/50/312074550.db2.gz KDQJNXSVSJUPRP-OSTWSGHESA-N 2 0 328.500 3.444 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@@H]1CCCCO1 ZINC000507484752 312074680 /nfs/dbraw/zinc/07/46/80/312074680.db2.gz KDQJNXSVSJUPRP-YNWKUBOOSA-N 2 0 328.500 3.444 10 0 EGAERP C[N@H+](CCNC1CC[NH+](CCC(F)(F)F)CC1)C1CCCCC1 ZINC000507494775 312074907 /nfs/dbraw/zinc/07/49/07/312074907.db2.gz KRFJRMWMZNFOHF-UHFFFAOYSA-N 2 0 335.458 3.257 10 0 EGAERP C/C(=C/c1ccc(Cl)cc1)C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1 ZINC000513532550 312212392 /nfs/dbraw/zinc/21/23/92/312212392.db2.gz MSQJWFFMAUMYAK-TXQCQQFXSA-N 2 0 335.923 3.216 10 0 EGAERP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)N1CCc2ccccc2C1 ZINC000514096580 312224623 /nfs/dbraw/zinc/22/46/23/312224623.db2.gz XBRNKNHNKCHSSI-CIAFKFPVSA-N 2 0 341.543 3.286 10 0 EGAERP O=C(NC[C@@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000529722829 313399412 /nfs/dbraw/zinc/39/94/12/313399412.db2.gz NDGRBGFMXLTWCO-XLIONFOSSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1ccc(Cl)c(F)c1 ZINC000535064027 314022501 /nfs/dbraw/zinc/02/25/01/314022501.db2.gz ISXWSVPRWOBVQO-UONOGXRCSA-N 2 0 327.875 3.013 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](c1cnn(C)c1)C(C)(C)C ZINC000541539748 314467191 /nfs/dbraw/zinc/46/71/91/314467191.db2.gz GTEISGROQATDMI-SFHVURJKSA-N 2 0 338.459 3.186 10 0 EGAERP COC(=O)CCC[C@H]1CCC[C@@H]([NH2+]C2C[C@H]3CCC[C@@H](C2)N3C)C1 ZINC000549764399 315103613 /nfs/dbraw/zinc/10/36/13/315103613.db2.gz QVSJLQMKXVMBIS-SCIMBWJRSA-N 2 0 336.520 3.493 10 0 EGAERP C[NH+]1CCC(C[NH2+]C(C2CCC2)C2CCC2)(N2CCCCC2)CC1 ZINC000555227009 315374049 /nfs/dbraw/zinc/37/40/49/315374049.db2.gz HWLBDRKMZRBWRN-UHFFFAOYSA-N 2 0 333.564 3.495 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000572129260 317295899 /nfs/dbraw/zinc/29/58/99/317295899.db2.gz NIIVVBBFASJNCF-ZDUSSCGKSA-N 2 0 326.469 3.458 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1c1nc(-c2ccc(OCC[NH+](C)C)cc2)no1 ZINC000350590741 324099431 /nfs/dbraw/zinc/09/94/31/324099431.db2.gz CPGLCAIJCNDLIQ-KRWDZBQOSA-N 2 0 344.459 3.224 10 0 EGAERP C[C@H](CCN[C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)[NH+](C)Cc1ccccc1 ZINC000580588973 325271685 /nfs/dbraw/zinc/27/16/85/325271685.db2.gz ZFUOEPFIVICZSD-CWJKEVGVSA-N 2 0 329.532 3.359 10 0 EGAERP Cc1ccc(CN[C@H]2CC[N@@H+](C)C(C)(C)C2)c(O[C@H]2CCOC2)c1 ZINC000623446616 460554678 /nfs/dbraw/zinc/55/46/78/460554678.db2.gz KWIXSXUHTAZACO-ROUUACIJSA-N 2 0 332.488 3.125 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3oc(C(=O)OC)cc3c2)[C@@H](C)C1 ZINC000245441182 455300600 /nfs/dbraw/zinc/30/06/00/455300600.db2.gz VFJQAULGJMGZJF-YOEHRIQHSA-N 2 0 344.455 3.382 10 0 EGAERP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@@H]32)c1 ZINC000631887918 460590158 /nfs/dbraw/zinc/59/01/58/460590158.db2.gz RMXBAOZCOMOCOB-HOCLYGCPSA-N 2 0 328.378 3.202 10 0 EGAERP COC(=O)c1oc([C@@H](C)[N@@H+]2CC[C@H](CNc3ccccn3)C2)cc1C ZINC000121114460 454393114 /nfs/dbraw/zinc/39/31/14/454393114.db2.gz NDEUJFIHISXSNE-HUUCEWRRSA-N 2 0 343.427 3.265 10 0 EGAERP C[NH+]1CCC(CC[NH2+]C2CCN(CCc3ccccc3)CC2)CC1 ZINC000125329674 454815587 /nfs/dbraw/zinc/81/55/87/454815587.db2.gz BXCYLSMPIJYAKD-UHFFFAOYSA-N 2 0 329.532 3.015 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2cnn(-c3ccc(F)cc3)c2C)C1 ZINC000163312193 454838709 /nfs/dbraw/zinc/83/87/09/454838709.db2.gz GSWKFFZBYFURQP-GOEBONIOSA-N 2 0 330.451 3.312 10 0 EGAERP C[N@@H+]1CCCC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000623656100 460662611 /nfs/dbraw/zinc/66/26/11/460662611.db2.gz MYGJCYQIUSMDTJ-OAHLLOKOSA-N 2 0 330.394 3.449 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CNC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000180103907 455132994 /nfs/dbraw/zinc/13/29/94/455132994.db2.gz ALJBVAXOOVHTPK-VTHDOGFWSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@H]([NH2+]CCN1CCCC[C@H]1C)c1cccc(OCC[NH+](C)C)c1 ZINC000156612001 455138073 /nfs/dbraw/zinc/13/80/73/455138073.db2.gz KDTRLSFNJTWRFW-MSOLQXFVSA-N 2 0 333.520 3.152 10 0 EGAERP C[C@H]1C[C@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000180160470 455142014 /nfs/dbraw/zinc/14/20/14/455142014.db2.gz IQBNEOWUVRWBKG-FJTLRTSUSA-N 2 0 339.527 3.397 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000245746817 455371518 /nfs/dbraw/zinc/37/15/18/455371518.db2.gz SRDOTJUQADLQDH-MPJJRAAHSA-N 2 0 339.527 3.256 10 0 EGAERP CC(=O)Nc1ccc(C[N@@H+]2CC[C@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246078152 455422144 /nfs/dbraw/zinc/42/21/44/455422144.db2.gz HSDMHQLZJPRTSS-PXNSSMCTSA-N 2 0 327.472 3.094 10 0 EGAERP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292266941 455612869 /nfs/dbraw/zinc/61/28/69/455612869.db2.gz ZDDFSUYSJPJRNM-ACJLOTCBSA-N 2 0 346.862 3.479 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@H](C)C[C@@H]2c2ccco2)CC1 ZINC000249064424 455743529 /nfs/dbraw/zinc/74/35/29/455743529.db2.gz QBDLZNGPYKBXGT-RBUKOAKNSA-N 2 0 333.520 3.469 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000268973579 455750060 /nfs/dbraw/zinc/75/00/60/455750060.db2.gz IQFDSKBTIGZFPO-NSISKUIASA-N 2 0 344.524 3.456 10 0 EGAERP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@@H]1CCCN1CCc1ccccc1 ZINC000253416035 455840795 /nfs/dbraw/zinc/84/07/95/455840795.db2.gz NSBLRDUUYODXFV-SFTDATJTSA-N 2 0 340.515 3.204 10 0 EGAERP COC[C@H]([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CCOCC1 ZINC000187714536 455943477 /nfs/dbraw/zinc/94/34/77/455943477.db2.gz HUANCJCXWWDCIG-NRFANRHFSA-N 2 0 346.515 3.204 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc([C@@H](C[NH3+])c3ccc(F)cc3)n2)cc1 ZINC000261826151 455954677 /nfs/dbraw/zinc/95/46/77/455954677.db2.gz QWJYTYJCQIRERW-KRWDZBQOSA-N 2 0 340.402 3.028 10 0 EGAERP CC[C@H]([NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H](O)C(F)F ZINC000296642504 455998294 /nfs/dbraw/zinc/99/82/94/455998294.db2.gz YFCMSGINXARZOC-FLXSYLCISA-N 2 0 338.442 3.176 10 0 EGAERP CC[C@H]([NH2+]CCn1ccnc1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188647098 456104185 /nfs/dbraw/zinc/10/41/85/456104185.db2.gz ZJAFPZVJSRJPSM-HOTGVXAUSA-N 2 0 336.480 3.041 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000271254498 456193692 /nfs/dbraw/zinc/19/36/92/456193692.db2.gz GFCYRROOVVDISN-BVSLBCMMSA-N 2 0 339.527 3.210 10 0 EGAERP CCc1nnc(CN[C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174868 456200721 /nfs/dbraw/zinc/20/07/21/456200721.db2.gz PKAOBSBATSBUAB-GDBMZVCRSA-N 2 0 330.501 3.101 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cccc3cc[nH]c32)(N2CCCCC2)CC1 ZINC000237065827 456226406 /nfs/dbraw/zinc/22/64/06/456226406.db2.gz DYQNAGCNRIDBCK-UHFFFAOYSA-N 2 0 340.515 3.208 10 0 EGAERP Fc1ccc(N2CCC([NH2+]Cc3ccc4c[nH+]cn4c3)CC2)c(F)c1 ZINC000297508368 456238307 /nfs/dbraw/zinc/23/83/07/456238307.db2.gz MBGKQLHPLANZBM-UHFFFAOYSA-N 2 0 342.393 3.371 10 0 EGAERP COc1ccc(C[NH2+]Cc2ccccc2C[NH+]2CCCCC2)cn1 ZINC000340202971 456312398 /nfs/dbraw/zinc/31/23/98/456312398.db2.gz ZEQSAUTUIHBYID-UHFFFAOYSA-N 2 0 325.456 3.366 10 0 EGAERP CN1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000340289019 456364820 /nfs/dbraw/zinc/36/48/20/456364820.db2.gz UBGJVXPZDVPDMW-MOPGFXCFSA-N 2 0 337.458 3.176 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)Cc1ccc(F)cc1Br ZINC000665282485 462382428 /nfs/dbraw/zinc/38/24/28/462382428.db2.gz ZCQFKENHUDPRHI-XHDPSFHLSA-N 2 0 331.273 3.482 10 0 EGAERP O[C@H](C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)CC(F)(F)F ZINC000307946933 456572464 /nfs/dbraw/zinc/57/24/64/456572464.db2.gz LQGLYVFTASTBEA-HMQMGEFJSA-N 2 0 342.405 3.085 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@@H]2CCCC[C@@H]2C)CC1 ZINC000343560287 456705519 /nfs/dbraw/zinc/70/55/19/456705519.db2.gz COMCGNOHPYJAHQ-PKOBYXMFSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)CC1 ZINC000353631274 456816008 /nfs/dbraw/zinc/81/60/08/456816008.db2.gz KSHKJYNFJWEKSJ-QYRPDUKASA-N 2 0 342.531 3.069 10 0 EGAERP CO[C@H](C)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000353825497 456925028 /nfs/dbraw/zinc/92/50/28/456925028.db2.gz XUSCBZWOTPUQHT-GOSISDBHSA-N 2 0 347.547 3.462 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1(C(=O)OC)CCC1 ZINC000354085237 457050715 /nfs/dbraw/zinc/05/07/15/457050715.db2.gz HJFSKMREHWGPTP-KRWDZBQOSA-N 2 0 336.451 3.099 10 0 EGAERP C[C@@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1ccc(-n2cncn2)cc1Cl ZINC000356849524 457183149 /nfs/dbraw/zinc/18/31/49/457183149.db2.gz PRQNZINAWMEHGV-CQSZACIVSA-N 2 0 347.894 3.303 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCNC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1 ZINC000355381971 457366716 /nfs/dbraw/zinc/36/67/16/457366716.db2.gz ICOQEXXBVJXLPT-UYAOXDASSA-N 2 0 343.515 3.032 10 0 EGAERP OC1(C[NH2+]C/C=C/c2ccccc2)CC[NH+](Cc2ccccc2)CC1 ZINC000397621108 457490565 /nfs/dbraw/zinc/49/05/65/457490565.db2.gz WHERYXMOFTYGMN-KPKJPENVSA-N 2 0 336.479 3.317 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H](O)CC1CCCC1 ZINC000397983657 457494934 /nfs/dbraw/zinc/49/49/34/457494934.db2.gz NNFSIMSXIUGJTB-UIFIKXQLSA-N 2 0 330.516 3.428 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@H](C)OC)CC1 ZINC000361017416 457514964 /nfs/dbraw/zinc/51/49/64/457514964.db2.gz NHAFPMIOQODBGR-SFHVURJKSA-N 2 0 333.520 3.075 10 0 EGAERP CS[C@@H]1CC[C@H]1[NH2+]CCc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000425362650 457520569 /nfs/dbraw/zinc/52/05/69/457520569.db2.gz VKQUDUZROGBNHQ-RTBURBONSA-N 2 0 334.529 3.187 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]Cc1cccc(C[NH+](C)C)c1 ZINC000352753801 457583813 /nfs/dbraw/zinc/58/38/13/457583813.db2.gz GCXXZMIMAOPPON-UHFFFAOYSA-N 2 0 334.467 3.439 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@H]1[NH2+]CCN1[C@H](C)CCC[C@@H]1C ZINC000361221306 457650814 /nfs/dbraw/zinc/65/08/14/457650814.db2.gz REOGEJIUNZNUQQ-WERVVEIQSA-N 2 0 344.547 3.145 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC000361511680 457763203 /nfs/dbraw/zinc/76/32/03/457763203.db2.gz URYNUQVEOGYRBN-KZNAEPCWSA-N 2 0 335.536 3.020 10 0 EGAERP CN(C)c1cc[nH+]cc1CNc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000433201170 457778113 /nfs/dbraw/zinc/77/81/13/457778113.db2.gz KVBOQVOCAJIWDL-GOSISDBHSA-N 2 0 326.444 3.145 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1OC ZINC000375895937 458112248 /nfs/dbraw/zinc/11/22/48/458112248.db2.gz RCVJAUVGCUDHIH-JCHJZTRSSA-N 2 0 346.515 3.345 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000436303912 458285632 /nfs/dbraw/zinc/28/56/32/458285632.db2.gz CQGBENOXPRMYRO-ZAWLATJESA-N 2 0 336.520 3.351 10 0 EGAERP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@@H]3CC[C@](C)(c4ccccc4)C3)CC2)C1 ZINC000372670867 458314204 /nfs/dbraw/zinc/31/42/04/458314204.db2.gz BJAGOJMZCVTYGX-FSSWDIPSSA-N 2 0 341.543 3.209 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+]Cc2cn3cccnc3n2)C[N@@H+]1Cc1ccccc1 ZINC000459438691 458371688 /nfs/dbraw/zinc/37/16/88/458371688.db2.gz JIDCZEJHZPQFMS-MJGOQNOKSA-N 2 0 349.482 3.120 10 0 EGAERP c1ccc2c(c1)SCC[C@@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423509697 458447698 /nfs/dbraw/zinc/44/76/98/458447698.db2.gz LXFRNIZIRSEENG-HTWSVDAQSA-N 2 0 331.529 3.030 10 0 EGAERP Cc1cccc2c1[C@@H](C)C[C@H]2[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423519324 458450271 /nfs/dbraw/zinc/45/02/71/458450271.db2.gz PQONCFADYMGQDO-USWSCHJFSA-N 2 0 327.516 3.349 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CCC1=CC[NH2+]CC1 ZINC000423547026 458456350 /nfs/dbraw/zinc/45/63/50/458456350.db2.gz ZZGRIIFHUMWYNH-GFCCVEGCSA-N 2 0 341.268 3.419 10 0 EGAERP Cc1cc(Cl)ccc1CN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000468400556 458515175 /nfs/dbraw/zinc/51/51/75/458515175.db2.gz YAWPYQPRSVOVPI-LJQANCHMSA-N 2 0 335.923 3.250 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCCNC(=O)CC[C@H]2CCCC[N@@H+]2C)C1 ZINC000431754565 458618191 /nfs/dbraw/zinc/61/81/91/458618191.db2.gz NMGHFDXNFHAKTE-GUDVDZBRSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2CC[NH+](C3CC3)CC2)CC12CCCCC2 ZINC000462467685 458622982 /nfs/dbraw/zinc/62/29/82/458622982.db2.gz JYSBWWZLRHAVBO-QGZVFWFLSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H]([NH2+]CC1(O)CCC(c2ccccc2)CC1)C1=CC[N@H+](C)CC1 ZINC000530231229 458724701 /nfs/dbraw/zinc/72/47/01/458724701.db2.gz GSGGPJDNHAPFHM-RPCJCACASA-N 2 0 328.500 3.315 10 0 EGAERP CCc1cccc(Cl)c1C[NH+]1CCC(CO[C@H]2CC[NH2+]C2)CC1 ZINC000530248164 458730949 /nfs/dbraw/zinc/73/09/49/458730949.db2.gz HPNSFBFCFVVHNN-KRWDZBQOSA-N 2 0 336.907 3.493 10 0 EGAERP O=C(Nc1cccc2c1CC[NH2+]C2)c1ccccc1CC1CC[NH2+]CC1 ZINC000518195673 458848411 /nfs/dbraw/zinc/84/84/11/458848411.db2.gz ZKKQNTPPTLYDFJ-UHFFFAOYSA-N 2 0 349.478 3.127 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000566482130 458945216 /nfs/dbraw/zinc/94/52/16/458945216.db2.gz MMFBYRKSFZVOCM-LTDCPUDJSA-N 2 0 337.458 3.348 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC(F)F ZINC000556864186 459024317 /nfs/dbraw/zinc/02/43/17/459024317.db2.gz CZASYIZCFXBYKZ-ZNMIVQPWSA-N 2 0 340.414 3.259 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@H]1C ZINC000556920973 459032348 /nfs/dbraw/zinc/03/23/48/459032348.db2.gz RNXIUZQYFBQDPQ-GIVPXCGWSA-N 3 0 329.532 3.361 10 0 EGAERP CCN(CC(=O)NC1CCCCC1)Cc1ccc(C[NH+](C)C)cc1 ZINC000589999428 459064870 /nfs/dbraw/zinc/06/48/70/459064870.db2.gz HKCPGHSPZOJQJL-UHFFFAOYSA-N 2 0 331.504 3.019 10 0 EGAERP C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448110 459090491 /nfs/dbraw/zinc/09/04/91/459090491.db2.gz MQQOAPMAQIYDAF-LAUBAEHRSA-N 2 0 329.532 3.491 10 0 EGAERP COC(=O)c1ccc(-c2ccc(C[NH2+]C[C@H]3C[C@@H]([NH+](C)C)C3)o2)cc1 ZINC000594611715 459112371 /nfs/dbraw/zinc/11/23/71/459112371.db2.gz CCSSLEROAPLIIL-KDYLLFBJSA-N 2 0 342.439 3.163 10 0 EGAERP COC(=O)CC(C)(C)C[C@H](C)[NH2+]C[C@@H]1CCC[N@H+](CC(C)C)C1 ZINC000595021337 459218639 /nfs/dbraw/zinc/21/86/39/459218639.db2.gz CFJVAGGUTVCPHD-IRXDYDNUSA-N 2 0 326.525 3.312 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@H](C)c2ccc(OCC)cc2)CC[NH2+]CC1 ZINC000591567566 459402570 /nfs/dbraw/zinc/40/25/70/459402570.db2.gz YBQQNBDDODXVAJ-HZPDHXFCSA-N 2 0 348.487 3.057 10 0 EGAERP CCOC(=O)C1([N@H+](C)Cc2cccc3c2CC[NH2+]C3)CCCCC1 ZINC000595890830 459476793 /nfs/dbraw/zinc/47/67/93/459476793.db2.gz FNQHKLGXTSUXMU-UHFFFAOYSA-N 2 0 330.472 3.030 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1C ZINC000572887049 459590891 /nfs/dbraw/zinc/59/08/91/459590891.db2.gz IPPINTSAMGXQNR-CBQGHPETSA-N 2 0 341.543 3.355 10 0 EGAERP Cc1ccc(OC[C@H](O)C[NH2+]CCCC[NH+]2C[C@H](C)C[C@@H](C)C2)cc1 ZINC000562987344 459687545 /nfs/dbraw/zinc/68/75/45/459687545.db2.gz HKJQYKQPWJZJJC-VAMGGRTRSA-N 2 0 348.531 3.082 10 0 EGAERP COc1ccc(CN2CC[C@H]2C[NH2+]C2CC[NH+](C(C)(C)C)CC2)cc1 ZINC000527965513 459784446 /nfs/dbraw/zinc/78/44/46/459784446.db2.gz DVTFKQPQIWYDRV-IBGZPJMESA-N 2 0 345.531 3.122 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CCN2C2CCCC2)cc1NC(C)=O ZINC000528008407 459794791 /nfs/dbraw/zinc/79/47/91/459794791.db2.gz DNGMTLHZSQZKOC-KDOFPFPSSA-N 2 0 345.487 3.321 10 0 EGAERP C[C@H]1CCC[C@H]([NH+]2CCC([NH2+]CC(C)(C)C(=O)N3CCCC3)CC2)C1 ZINC000528014590 459797113 /nfs/dbraw/zinc/79/71/13/459797113.db2.gz QIEVRUZKJJRTOU-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000593322634 459841625 /nfs/dbraw/zinc/84/16/25/459841625.db2.gz OLNYKQIYWRCDFN-GUDVDZBRSA-N 2 0 334.529 3.281 10 0 EGAERP CN(c1ccccc1C[NH+]1CC(CC2CC2)C1)C1CC[NH+](C)CC1 ZINC000621740463 460043395 /nfs/dbraw/zinc/04/33/95/460043395.db2.gz RFECIULTTNYXDZ-UHFFFAOYSA-N 2 0 327.516 3.449 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CCN2C2CCCCC2)C[C@H]1C ZINC000599065857 460148697 /nfs/dbraw/zinc/14/86/97/460148697.db2.gz RZNIAFLBTNRTTB-UKBAYJJMSA-N 2 0 336.520 3.351 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](c3ccc(O)cc3)C2)cc1 ZINC000628481309 460434477 /nfs/dbraw/zinc/43/44/77/460434477.db2.gz XDRBGPUVXUWALF-LJQANCHMSA-N 2 0 340.467 3.322 10 0 EGAERP C[N@@H+]1CC[C@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1(C)C ZINC000623400607 460528511 /nfs/dbraw/zinc/52/85/11/460528511.db2.gz ZPJIEKWXKYHZSM-PMACEKPBSA-N 2 0 329.532 3.013 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@@H]2CC[NH+](CCc3ccccc3)C2)CC1(C)C ZINC000623400609 460529411 /nfs/dbraw/zinc/52/94/11/460529411.db2.gz ZPJIEKWXKYHZSM-VQTJNVASSA-N 2 0 329.532 3.013 10 0 EGAERP C[N@@H+]1CCC[C@H](CNCc2cccc(F)c2OCC(F)(F)F)C1 ZINC000623411132 460533241 /nfs/dbraw/zinc/53/32/41/460533241.db2.gz UKUYZDIUZUNEFH-GFCCVEGCSA-N 2 0 334.357 3.198 10 0 EGAERP CCOc1cc(CCC[NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000623425255 460542821 /nfs/dbraw/zinc/54/28/21/460542821.db2.gz WOIDPUZZSZXVDQ-KRWDZBQOSA-N 2 0 334.504 3.489 10 0 EGAERP C[C@@H](CCc1cccc(C(F)(F)F)c1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629387371 460746679 /nfs/dbraw/zinc/74/66/79/460746679.db2.gz FTANQNSQSBEXDT-ZDUSSCGKSA-N 2 0 330.394 3.124 10 0 EGAERP C[C@@H]1CC[C@H](N[C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C[NH2+]1 ZINC000629535093 460799569 /nfs/dbraw/zinc/79/95/69/460799569.db2.gz BNZVAHJUTNMLBM-SDZDHKAXSA-N 2 0 327.516 3.017 10 0 EGAERP Brc1cnccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000629547405 460804619 /nfs/dbraw/zinc/80/46/19/460804619.db2.gz SUJJLOBJBGVCLF-AWEZNQCLSA-N 2 0 338.293 3.056 10 0 EGAERP COc1ccc(C(C)C)cc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591969 460819164 /nfs/dbraw/zinc/81/91/64/460819164.db2.gz WSSKBFRYRKZSNQ-HXUWFJFHSA-N 2 0 346.515 3.409 10 0 EGAERP [NH3+]C1(C[NH2+]CCCCc2ccc(Cl)c(Cl)c2)CCOCC1 ZINC000629655100 460848645 /nfs/dbraw/zinc/84/86/45/460848645.db2.gz RDROOEWTKDFUAC-UHFFFAOYSA-N 2 0 331.287 3.414 10 0 EGAERP c1ccc(OCCCCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629673476 460860945 /nfs/dbraw/zinc/86/09/45/460860945.db2.gz PDCBSUWYQXKMQH-NRFANRHFSA-N 2 0 346.515 3.326 10 0 EGAERP Cc1ccc2cc(CN(CCC[NH+](C)C)CCC[NH+](C)C)[nH]c2c1 ZINC000668155356 461142165 /nfs/dbraw/zinc/14/21/65/461142165.db2.gz LQRZKFMKUWNEJI-UHFFFAOYSA-N 2 0 330.520 3.182 10 0 EGAERP Clc1ccc(C[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CC2)cc1Cl ZINC000662252512 461145162 /nfs/dbraw/zinc/14/51/62/461145162.db2.gz NMNYROFMLMVZOM-CQSZACIVSA-N 2 0 341.282 3.479 10 0 EGAERP OCCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCc2ccccc21 ZINC000662254301 461145339 /nfs/dbraw/zinc/14/53/39/461145339.db2.gz GZGOQWPLKBRAEX-QFIPXVFZSA-N 2 0 336.479 3.204 10 0 EGAERP C[N@H+](CCc1ccccc1)[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662307006 461181381 /nfs/dbraw/zinc/18/13/81/461181381.db2.gz UCWLAIPNGCVEPW-QHCPKHFHSA-N 2 0 349.522 3.081 10 0 EGAERP CC[N@H+](CCOc1ccccc1OC)Cc1cccc2c1CC[NH2+]C2 ZINC000662324399 461193009 /nfs/dbraw/zinc/19/30/09/461193009.db2.gz XAEGAEACZWCFLA-UHFFFAOYSA-N 2 0 340.467 3.242 10 0 EGAERP CC[NH+](CC)[C@@H](CNC(=O)C[C@H]1[NH2+]Cc2ccccc21)CC(C)C ZINC000662493116 461269038 /nfs/dbraw/zinc/26/90/38/461269038.db2.gz FUICQGFUOLMLLL-IEBWSBKVSA-N 2 0 331.504 3.094 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662826192 461384130 /nfs/dbraw/zinc/38/41/30/461384130.db2.gz WCVKXFFZOFAFHS-KRWDZBQOSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)c1ccccc1NC(=O)C[C@H](C)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806218 461465079 /nfs/dbraw/zinc/46/50/79/461465079.db2.gz RPMHANJAHTXMJN-YESZJQIVSA-N 2 0 331.504 3.457 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000655813524 461469769 /nfs/dbraw/zinc/46/97/69/461469769.db2.gz ZGAHOEAHSZWCCS-PMACEKPBSA-N 2 0 332.488 3.064 10 0 EGAERP Cc1nn(-c2ccccc2Cl)cc1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824750 461480753 /nfs/dbraw/zinc/48/07/53/461480753.db2.gz OMCOFDLVTVRQQO-FZNQNYSPSA-N 2 0 332.879 3.264 10 0 EGAERP COc1cncc(C[NH2+]CC2CC[NH+](Cc3ccccc3)CC2)c1C ZINC000631054289 461507305 /nfs/dbraw/zinc/50/73/05/461507305.db2.gz UERYPSNGKKWQKI-UHFFFAOYSA-N 2 0 339.483 3.400 10 0 EGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+]Cc1ccccc1CC(F)(F)F ZINC000631067879 461518613 /nfs/dbraw/zinc/51/86/13/461518613.db2.gz JIYTYEMLVNSLEG-QGZVFWFLSA-N 2 0 344.421 3.118 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2ccnn2-c2ccccn2)C1 ZINC000647171323 461540977 /nfs/dbraw/zinc/54/09/77/461540977.db2.gz FXVFFUUNQSTGSW-QZTJIDSGSA-N 2 0 341.503 3.115 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000660243970 461660350 /nfs/dbraw/zinc/66/03/50/461660350.db2.gz NCXFDJJGSPAIMK-UHFFFAOYSA-N 2 0 328.566 3.079 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC1([C@H]2CCCCO2)CCC1 ZINC000631246498 461672705 /nfs/dbraw/zinc/67/27/05/461672705.db2.gz WGYFQFLZLUSSHX-LJQANCHMSA-N 2 0 340.471 3.405 10 0 EGAERP C[C@H]1C[C@@H](C[N@@H+]2CCOc3cc(Br)ccc3C2)CC[NH2+]1 ZINC000663501758 461675327 /nfs/dbraw/zinc/67/53/27/461675327.db2.gz AFIJNMGZZPRPHN-STQMWFEESA-N 2 0 339.277 3.032 10 0 EGAERP CC[N@H+](C)C[C@H]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC000663673836 461747136 /nfs/dbraw/zinc/74/71/36/461747136.db2.gz MHFJSWJFRSHQSK-CQSZACIVSA-N 2 0 329.444 3.030 10 0 EGAERP CC[N@H+](C)C[C@@H]1CCN(c2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC000663673835 461747724 /nfs/dbraw/zinc/74/77/24/461747724.db2.gz MHFJSWJFRSHQSK-AWEZNQCLSA-N 2 0 329.444 3.030 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCCOc3ccccc3)C2)C1 ZINC000650708099 461900813 /nfs/dbraw/zinc/90/08/13/461900813.db2.gz SYPAEVYFHDSCQW-NLWGTHIKSA-N 2 0 332.488 3.064 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)CC(=O)Nc1cccc(F)c1 ZINC000650719521 461911698 /nfs/dbraw/zinc/91/16/98/461911698.db2.gz SIIAZKGHIMMANP-CQSZACIVSA-N 2 0 329.419 3.052 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CC[C@H]1CCc2ccccc2N1 ZINC000650720226 461912749 /nfs/dbraw/zinc/91/27/49/461912749.db2.gz IXJKXGZRZIXGLJ-LJQANCHMSA-N 2 0 347.466 3.482 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cccc(Oc2ccccc2F)c1 ZINC000650740148 461928243 /nfs/dbraw/zinc/92/82/43/461928243.db2.gz HMMXZNSZLKHJNU-INIZCTEOSA-N 2 0 332.419 3.462 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000650745854 461930157 /nfs/dbraw/zinc/93/01/57/461930157.db2.gz PLIJGGZJVZIYOB-HSALFYBXSA-N 3 0 327.516 3.006 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CNc2ccccc2C1)c1cccc(OCC[NH+](C)C)c1 ZINC000650750820 461932972 /nfs/dbraw/zinc/93/29/72/461932972.db2.gz LPGZMLVDSGJAME-APWZRJJASA-N 2 0 339.483 3.314 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](CCn1cncn1)c1ccc(C)cc1 ZINC000650757212 461937048 /nfs/dbraw/zinc/93/70/48/461937048.db2.gz RNQZIMSFOAMAGW-NRFANRHFSA-N 2 0 349.482 3.227 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000650758124 461938393 /nfs/dbraw/zinc/93/83/93/461938393.db2.gz JSXNSGQJNCRHRU-QGZVFWFLSA-N 3 0 341.499 3.197 10 0 EGAERP CCN(CC)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000657286813 462018619 /nfs/dbraw/zinc/01/86/19/462018619.db2.gz RUWLHUHSZOKKIF-NRFANRHFSA-N 2 0 349.482 3.440 10 0 EGAERP CC(C)[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCCCCC1 ZINC000657302928 462030180 /nfs/dbraw/zinc/03/01/80/462030180.db2.gz HZDHEYMOYCAAAM-HXUWFJFHSA-N 2 0 341.503 3.258 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccccc1CNCc1cc2n(n1)CCC2 ZINC000657311771 462036934 /nfs/dbraw/zinc/03/69/34/462036934.db2.gz URLWRFBOJIUEBD-KRWDZBQOSA-N 2 0 338.499 3.494 10 0 EGAERP CC(C)(C)[C@H]1OCCC[C@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657363794 462073179 /nfs/dbraw/zinc/07/31/79/462073179.db2.gz CCSKLFMKENRALZ-YJBOKZPZSA-N 2 0 328.460 3.198 10 0 EGAERP COC[C@@H](C)Oc1ccc(C[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000657414654 462107321 /nfs/dbraw/zinc/10/73/21/462107321.db2.gz SICOAKXLUVKXLA-IPJUCJBFSA-N 2 0 334.504 3.310 10 0 EGAERP Cc1ccc2cc(C[NH2+]Cc3ccnc(OCC[NH+](C)C)c3)[nH]c2c1 ZINC000657422532 462113406 /nfs/dbraw/zinc/11/34/06/462113406.db2.gz WXFNRYYTSZFWFM-UHFFFAOYSA-N 2 0 338.455 3.102 10 0 EGAERP C[NH+](C)[C@H]1CCOc2c(NCc3ccnn3-c3cc[nH+]cc3)cccc21 ZINC000657454076 462134729 /nfs/dbraw/zinc/13/47/29/462134729.db2.gz GVVAXDAFEGWMAQ-IBGZPJMESA-N 2 0 349.438 3.265 10 0 EGAERP Cc1ccc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)[nH]c2c1 ZINC000657537302 462171784 /nfs/dbraw/zinc/17/17/84/462171784.db2.gz HESRSRLSPIKETQ-UHFFFAOYSA-N 2 0 341.499 3.457 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cscc3Cl)cc2)C1 ZINC000657594625 462196960 /nfs/dbraw/zinc/19/69/60/462196960.db2.gz CIKPTFYPYDQVRZ-INIZCTEOSA-N 2 0 336.888 3.258 10 0 EGAERP c1cc(C[N@@H+](C[C@@H]2CCCO2)C2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000667670303 462202826 /nfs/dbraw/zinc/20/28/26/462202826.db2.gz JTGNZCWWMQCZCD-IBGZPJMESA-N 2 0 326.444 3.191 10 0 EGAERP COc1ccc(F)c(C[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)c1 ZINC000657613629 462203965 /nfs/dbraw/zinc/20/39/65/462203965.db2.gz ONLNPPUKVXYLNT-UHFFFAOYSA-N 2 0 343.446 3.231 10 0 EGAERP CC(C)[C@@H]1C[C@H](C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)CCO1 ZINC000648739618 462254770 /nfs/dbraw/zinc/25/47/70/462254770.db2.gz GJSSLVRUQFUSMX-QUCCMNQESA-N 2 0 334.504 3.168 10 0 EGAERP CC(C)[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1F ZINC000661485851 462267092 /nfs/dbraw/zinc/26/70/92/462267092.db2.gz LQEHKOTWHPXECJ-FQEVSTJZSA-N 2 0 349.494 3.101 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]CCC[N@H+](C)C1CCCCC1 ZINC000657829178 462286595 /nfs/dbraw/zinc/28/65/95/462286595.db2.gz AAJWLYCKNNCYQE-GOSISDBHSA-N 2 0 326.525 3.062 10 0 EGAERP C[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)C1CC(C)(C)CC(C)(C)C1 ZINC000661532241 462297105 /nfs/dbraw/zinc/29/71/05/462297105.db2.gz RGTKDFXTOYLPFP-UHFFFAOYSA-N 2 0 349.563 3.266 10 0 EGAERP CN1CC[NH+](CCCC[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651676840 462298602 /nfs/dbraw/zinc/29/86/02/462298602.db2.gz PKIQLDZGPMARJE-INIZCTEOSA-N 2 0 339.886 3.084 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+]CC1CC[NH+](CCC(C)C)CC1 ZINC000657902086 462312109 /nfs/dbraw/zinc/31/21/09/462312109.db2.gz XHVBUAVALRWCPD-FQEVSTJZSA-N 2 0 340.552 3.166 10 0 EGAERP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2cnccc2o1 ZINC000657934772 462322745 /nfs/dbraw/zinc/32/27/45/462322745.db2.gz GUNFARZXZNABLQ-AWEZNQCLSA-N 2 0 340.427 3.014 10 0 EGAERP COc1ccccc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068994 462366331 /nfs/dbraw/zinc/36/63/31/462366331.db2.gz IXRRTARKJSMVBR-MRXNPFEDSA-N 2 0 332.488 3.237 10 0 EGAERP FCCC[C@@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070073 462367959 /nfs/dbraw/zinc/36/79/59/462367959.db2.gz KRBZVBVDCTZPNV-HKUYNNGSSA-N 2 0 326.500 3.385 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)COc1c(F)cccc1F ZINC000665261786 462375611 /nfs/dbraw/zinc/37/56/11/462375611.db2.gz LHTLMCJTEGOMNL-RYUDHWBXSA-N 2 0 335.398 3.245 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]C1 ZINC000665276775 462379526 /nfs/dbraw/zinc/37/95/26/462379526.db2.gz MGINLRSUHYYNBA-JBACZVJFSA-N 3 0 341.543 3.266 10 0 EGAERP COc1ccc([C@H](Cc2ccncc2)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1 ZINC000665281924 462382897 /nfs/dbraw/zinc/38/28/97/462382897.db2.gz MIFIRNWZEYVKTL-UXHICEINSA-N 2 0 327.472 3.337 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)c3ccccc32)CC1 ZINC000665285743 462384429 /nfs/dbraw/zinc/38/44/29/462384429.db2.gz VPLOMOICLDGSJS-OXJNMPFZSA-N 2 0 343.515 3.205 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2csc(Cl)c2)CC1 ZINC000665289848 462387726 /nfs/dbraw/zinc/38/77/26/462387726.db2.gz YVCIBSZJALNROI-LBPRGKRZSA-N 2 0 343.924 3.043 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@H]3CCC[C@@H](C4CC4)C3)cc2)C1 ZINC000658135662 462399419 /nfs/dbraw/zinc/39/94/19/462399419.db2.gz AGKZVUHYXYFIII-QHAWAJNXSA-N 2 0 328.500 3.312 10 0 EGAERP CCc1cccnc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137051 462400859 /nfs/dbraw/zinc/40/08/59/462400859.db2.gz IMHYJLBTLXADBT-UZLBHIALSA-N 2 0 339.483 3.061 10 0 EGAERP COc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138461 462401488 /nfs/dbraw/zinc/40/14/88/462401488.db2.gz NUHXMMSMYUJJAS-RHSMWYFYSA-N 2 0 346.496 3.174 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(Cl)cn1 ZINC000658138860 462402353 /nfs/dbraw/zinc/40/23/53/462402353.db2.gz OQDGDCQCJSSKSH-KBXCAEBGSA-N 2 0 345.874 3.152 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1F ZINC000658140500 462403619 /nfs/dbraw/zinc/40/36/19/462403619.db2.gz URXBNCNIEGPAIM-WMLDXEAASA-N 2 0 346.421 3.382 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658139637 462403814 /nfs/dbraw/zinc/40/38/14/462403814.db2.gz QQHMGPWBNYHEIZ-CZUORRHYSA-N 2 0 330.394 3.074 10 0 EGAERP COC1(C[C@H](C)[NH2+]CC2CC[NH+](Cc3ccncc3)CC2)CCC1 ZINC000658168421 462415885 /nfs/dbraw/zinc/41/58/85/462415885.db2.gz WZHVIEFGNAZZRJ-KRWDZBQOSA-N 2 0 331.504 3.231 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@@H]2C[C@@H](O)C23CCC3)CC1 ZINC000658254088 462444039 /nfs/dbraw/zinc/44/40/39/462444039.db2.gz XXLDNNVHBLVTQV-NTFDOXNWSA-N 2 0 328.500 3.323 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cc(F)ccc2OC(F)F)[C@H]2CCC[C@H]21 ZINC000658329237 462480008 /nfs/dbraw/zinc/48/00/08/462480008.db2.gz KGYBIDAKPIEEKD-QLFBSQMISA-N 2 0 328.378 3.390 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1)C(C)C ZINC000649372648 462490496 /nfs/dbraw/zinc/49/04/96/462490496.db2.gz FCODNKVEMDDJNS-IBGZPJMESA-N 2 0 343.515 3.321 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCCC3)cc1 ZINC000649372600 462491079 /nfs/dbraw/zinc/49/10/79/462491079.db2.gz DKRWEAWMNBWKEO-IBGZPJMESA-N 2 0 343.515 3.323 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3cccc(F)c3)CCC2)CC1 ZINC000646002178 462492746 /nfs/dbraw/zinc/49/27/46/462492746.db2.gz SYDREHXFNBUDAH-UHFFFAOYSA-N 2 0 333.495 3.211 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C(C)C)C2CCCC2)CC1 ZINC000343557893 535496334 /nfs/dbraw/zinc/49/63/34/535496334.db2.gz RETBNHGHFGVJRD-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+][C@H]2CCCC[C@H]2C2CC2)cc1 ZINC000356859341 535889289 /nfs/dbraw/zinc/88/92/89/535889289.db2.gz XTVOUSMCOHZDMK-PMACEKPBSA-N 2 0 343.515 3.036 10 0 EGAERP c1cn(C[C@H]2CCC[N@H+]2Cc2ccc(OC[C@@H]3CCCO3)cc2)cn1 ZINC000188418808 547149031 /nfs/dbraw/zinc/14/90/31/547149031.db2.gz UJICICPBHAXJFG-QUCCMNQESA-N 2 0 341.455 3.106 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@@H]2CC[NH+]3CCC[C@H]3C2)[C@@H]1c1cccs1 ZINC000339067059 547569006 /nfs/dbraw/zinc/56/90/06/547569006.db2.gz DXWSEZKRTLFARP-VXIBKDFQSA-N 2 0 333.545 3.347 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000390209023 547826723 /nfs/dbraw/zinc/82/67/23/547826723.db2.gz DCMMWTMZBQIECU-SFHVURJKSA-N 2 0 335.923 3.407 10 0 EGAERP C[C@H]([NH2+]CCc1ccccc1Br)C1CC[NH+](C)CC1 ZINC000675792993 548982494 /nfs/dbraw/zinc/98/24/94/548982494.db2.gz OYFSGPRAGGVOGT-ZDUSSCGKSA-N 2 0 325.294 3.312 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1cc2c(s1)CCC2 ZINC000675871243 548995702 /nfs/dbraw/zinc/99/57/02/548995702.db2.gz CGNNWRWZXKQJPM-ZBFHGGJFSA-N 2 0 333.545 3.056 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@@H](OC)CC2)CC1 ZINC000680004137 549804930 /nfs/dbraw/zinc/80/49/30/549804930.db2.gz YUDGLPMJUCLISP-HXUWFJFHSA-N 2 0 345.531 3.220 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@H]3CC[C@H](c4ccccc4)C3)C2)CC1 ZINC000681976531 550056729 /nfs/dbraw/zinc/05/67/29/550056729.db2.gz XMJSASCVDPEZQK-UFYCRDLUSA-N 2 0 327.516 3.081 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CC(C)(C)c2ccccc2)CC1 ZINC000684428323 550329614 /nfs/dbraw/zinc/32/96/14/550329614.db2.gz KWXAQYMEVFOILG-UHFFFAOYSA-N 2 0 325.456 3.190 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cn2cnc3cc(F)c(F)cc32)CC1 ZINC000738071700 574638281 /nfs/dbraw/zinc/63/82/81/574638281.db2.gz UWEZZSORJDKYCN-UHFFFAOYSA-N 2 0 336.430 3.326 10 0 EGAERP C[C@H](CCc1ccco1)[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO ZINC000120632500 1293331158 /nfs/dbraw/zinc/33/11/58/1293331158.db2.gz DODPMOWZBHTQCA-YLJYHZDGSA-N 2 0 342.483 3.347 10 0 EGAERP Cc1ccc2ncc(C[NH2+]CC3CC[NH+](CCC(C)C)CC3)n2c1 ZINC000157465034 1294178840 /nfs/dbraw/zinc/17/88/40/1294178840.db2.gz AVTHZKAMBXFNQP-UHFFFAOYSA-N 2 0 328.504 3.490 10 0 EGAERP C[N@@H+](Cc1c[nH]c2ccc(Br)cc12)C[C@H]1CCC[NH2+]C1 ZINC000234357704 1296180456 /nfs/dbraw/zinc/18/04/56/1296180456.db2.gz UVPKNLKBOOBPIA-LBPRGKRZSA-N 2 0 336.277 3.362 10 0 EGAERP COC[C@H](C)[NH+]1CCC(CCn2c(C)c[nH+]c2C2CCOCC2)CC1 ZINC000257189637 1296585967 /nfs/dbraw/zinc/58/59/67/1296585967.db2.gz JIUUQLPUTJCPAZ-KRWDZBQOSA-N 2 0 349.519 3.223 10 0 EGAERP C[C@H](C(=O)N1CCC[C@@H]1c1cccs1)[N@H+](C)CCCCCC[NH3+] ZINC000872154867 1296772198 /nfs/dbraw/zinc/77/21/98/1296772198.db2.gz CRSZXFUDVHGJCW-HZPDHXFCSA-N 2 0 337.533 3.251 10 0 EGAERP C[N@@H+]1CCC[C@@H]([NH2+]CC[C@H]2CCCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000301704838 1296792725 /nfs/dbraw/zinc/79/27/25/1296792725.db2.gz BPEHACOALUQYBF-IAGOWNOFSA-N 2 0 339.524 3.098 10 0 EGAERP C(=C\[C@@H]1CCC[NH2+]C1)\c1nc(-c2cccc(C[NH+]3CCCC3)c2)no1 ZINC000872174569 1296796206 /nfs/dbraw/zinc/79/62/06/1296796206.db2.gz BQZUZNUZDFOKNZ-QWGSZXSUSA-N 2 0 338.455 3.345 10 0 EGAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000310105073 1297090379 /nfs/dbraw/zinc/09/03/79/1297090379.db2.gz ZUZZKKLRCJAINX-UDEWTMQYSA-N 2 0 327.516 3.113 10 0 EGAERP CN(Cc1ccc2c(c1)C[NH2+]C2)[C@@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000388317234 1297602276 /nfs/dbraw/zinc/60/22/76/1297602276.db2.gz GSUKEGNEBQJFHJ-JOCHJYFZSA-N 2 0 335.495 3.386 10 0 EGAERP C[C@H]1CCCC[C@H]1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397588432 1297701097 /nfs/dbraw/zinc/70/10/97/1297701097.db2.gz KQUDWFGRBXPCIC-ICSRJNTNSA-N 2 0 330.516 3.429 10 0 EGAERP Cc1nn(C)cc1C[NH+]1CCC(Cc2ccc(C[NH+](C)C)cc2)CC1 ZINC000581810106 1298017914 /nfs/dbraw/zinc/01/79/14/1298017914.db2.gz WCPKCGCPPOXXRS-UHFFFAOYSA-N 2 0 340.515 3.245 10 0 EGAERP C[C@H]1CN(C(=O)OC(C)(C)C)CC[C@H]1[NH2+]C1CCC([NH+](C)C)CC1 ZINC000715561937 1298281801 /nfs/dbraw/zinc/28/18/01/1298281801.db2.gz MCENLXLVQSLKEI-ZGRYLRDCSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000715571649 1298281853 /nfs/dbraw/zinc/28/18/53/1298281853.db2.gz OYGLFOMFNILWHY-GYXIZQIFSA-N 2 0 339.524 3.237 10 0 EGAERP [NH3+]C[C@H]1Cc2ccccc2CN1C1CC[NH+](Cc2ccccc2)CC1 ZINC000721636588 1298333763 /nfs/dbraw/zinc/33/37/63/1298333763.db2.gz BFIKTNBMHZISNI-JOCHJYFZSA-N 2 0 335.495 3.037 10 0 EGAERP C[C@H](C[NH2+][C@@H]1C[C@@H]([NH3+])C12CCC2)Oc1ccccc1Br ZINC000925535621 1325195863 /nfs/dbraw/zinc/19/58/63/1325195863.db2.gz ZVSFNFIADXDNKR-KCPJHIHWSA-N 2 0 339.277 3.076 10 0 EGAERP C(CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@H]2CSC[C@H]2C1 ZINC000879563953 1300604966 /nfs/dbraw/zinc/60/49/66/1300604966.db2.gz WURZTMHFRZMCKL-FZDBZEDMSA-N 2 0 340.602 3.136 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@@H](c3nccs3)C2)cc1 ZINC000895581562 1309413071 /nfs/dbraw/zinc/41/30/71/1309413071.db2.gz BBJCSYDRTGIJCP-MRXNPFEDSA-N 2 0 331.485 3.073 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000895846580 1309555856 /nfs/dbraw/zinc/55/58/56/1309555856.db2.gz QOLINTRCGUOZAB-PZJWPPBQSA-N 2 0 344.499 3.162 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H](O)c2ccccc2C(F)(F)F)CC1(C)C ZINC000858110688 1328685437 /nfs/dbraw/zinc/68/54/37/1328685437.db2.gz YCRUXRLAOXNTJD-IUODEOHRSA-N 2 0 330.394 3.201 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(NC(=O)OC(C)(C)C)CCCC2)CC1(C)C ZINC000858190048 1328707792 /nfs/dbraw/zinc/70/77/92/1328707792.db2.gz ZGFKKEAHVIFFRM-HNNXBMFYSA-N 2 0 339.524 3.286 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2ccc(Cl)c(Cl)c2)CC1(C)C ZINC000858194621 1328708175 /nfs/dbraw/zinc/70/81/75/1328708175.db2.gz ICRFKZSSAVEAQZ-SWLSCSKDSA-N 2 0 331.287 3.489 10 0 EGAERP C[NH+](C)Cc1c2ccccc2oc1C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913397565 1319025723 /nfs/dbraw/zinc/02/57/23/1319025723.db2.gz MIGLLXNTXKBBMA-UHFFFAOYSA-N 2 0 343.471 3.051 10 0 EGAERP CCC1([NH+](C)C)CCN(C(=O)c2ccc(NC3=[NH+]CCC3)cc2)CC1 ZINC000913661279 1319089516 /nfs/dbraw/zinc/08/95/16/1319089516.db2.gz HAJZFHHQGLCDQN-UHFFFAOYSA-N 2 0 342.487 3.237 10 0 EGAERP FC(F)(F)[C@H]1CCC[C@H](C[N@@H+]2CCCN(c3cc[nH+]cc3)CC2)O1 ZINC000930806343 1328976125 /nfs/dbraw/zinc/97/61/25/1328976125.db2.gz PCCAELOQVPTHIS-HZPDHXFCSA-N 2 0 343.393 3.094 10 0 EGAERP CN(C)[C@@H](CC[NH2+]C1CC[NH+](C2CCCCC2)CC1)C(F)(F)F ZINC000922754881 1322610779 /nfs/dbraw/zinc/61/07/79/1322610779.db2.gz PAIAXAQPRKADBV-INIZCTEOSA-N 2 0 335.458 3.256 10 0 EGAERP [NH3+][C@H](C[C@@H]1CCC[N@H+](C[C@@H](O)COc2ccccc2)C1)C1CCCC1 ZINC000923427135 1322750245 /nfs/dbraw/zinc/75/02/45/1322750245.db2.gz SCZPLHGQCYANOW-FBBABVLZSA-N 2 0 346.515 3.046 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1cnc(-c3ccccc3)s1)CC2 ZINC000923449350 1322753378 /nfs/dbraw/zinc/75/33/78/1322753378.db2.gz MUGZNQDXTKAKQB-INIZCTEOSA-N 2 0 343.496 3.140 10 0 EGAERP C[C@@H]1C[N@H+](CCC(=O)Nc2c(Cl)cccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502464 1322763809 /nfs/dbraw/zinc/76/38/09/1322763809.db2.gz ZHSKRBRDLSJYBT-VXGBXAGGSA-N 2 0 344.286 3.239 10 0 EGAERP C[C@H]1C[N@H+](CCC(=O)Nc2cc(Cl)ccc2Cl)CC[C@@H]1C[NH3+] ZINC000923502287 1322763923 /nfs/dbraw/zinc/76/39/23/1322763923.db2.gz YPHRRILHAKFMAQ-NWDGAFQWSA-N 2 0 344.286 3.239 10 0 EGAERP c1ccc2c(c1)NC[C@H]2C[C@@H]1COCC[N@H+]1CCCC1CC[NH2+]CC1 ZINC000923553900 1322776388 /nfs/dbraw/zinc/77/63/88/1322776388.db2.gz WRKUVHCABHWTKF-RTBURBONSA-N 2 0 343.515 3.066 10 0 EGAERP COc1cc([C@@H](C)[NH2+]CCCN2CC[NH+](C)CC2)cc2ccccc21 ZINC000924577135 1323060851 /nfs/dbraw/zinc/06/08/51/1323060851.db2.gz CEIZLESFEAJSGK-QGZVFWFLSA-N 2 0 341.499 3.137 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]CCCN1CC[NH+](CC)CC1 ZINC000924657550 1323097192 /nfs/dbraw/zinc/09/71/92/1323097192.db2.gz HIEZNPOFFURBAK-SFHVURJKSA-N 2 0 349.588 3.347 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C2CC3(C2)COC(C)(C)C3)cc1 ZINC000924705022 1323122948 /nfs/dbraw/zinc/12/29/48/1323122948.db2.gz VKVSXKCQILPAMA-UHFFFAOYSA-N 2 0 332.488 3.064 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000924859928 1323189206 /nfs/dbraw/zinc/18/92/06/1323189206.db2.gz GVGBLIQLELTTKE-IBGZPJMESA-N 2 0 332.488 3.304 10 0 EGAERP CCSc1ccccc1C[C@@H](C)[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000924966898 1323232542 /nfs/dbraw/zinc/23/25/42/1323232542.db2.gz RBCBPXUXTYTYSG-GOSISDBHSA-N 2 0 349.588 3.347 10 0 EGAERP C[NH+](C)C1(C)CC[NH+](CC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000931351008 1329100020 /nfs/dbraw/zinc/10/00/20/1329100020.db2.gz DMYYDWLYVBJERX-UHFFFAOYSA-N 2 0 339.524 3.050 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H](C3CCC3)[C@@H]3CCOC3)CC2)cc[nH+]1 ZINC000925299346 1325116769 /nfs/dbraw/zinc/11/67/69/1325116769.db2.gz BSXOVFTWPJCEPT-QUCCMNQESA-N 2 0 329.488 3.093 10 0 EGAERP C[C@@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCC2)c1 ZINC000925440382 1325150513 /nfs/dbraw/zinc/15/05/13/1325150513.db2.gz RDYUTCDWZXAFBT-IXDOHACOSA-N 2 0 334.508 3.148 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)c(OC[C@H]2CCOC2)c1 ZINC000925539879 1325198990 /nfs/dbraw/zinc/19/89/90/1325198990.db2.gz LZPUKSNGOCTPTJ-YTQUADARSA-N 2 0 346.515 3.406 10 0 EGAERP c1cn(-c2ccccc2)nc1CC[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925550741 1325203348 /nfs/dbraw/zinc/20/33/48/1325203348.db2.gz OBRARMHCIQDMHT-LEWJYISDSA-N 2 0 338.499 3.173 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)CC[NH2+][C@@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925551855 1325205167 /nfs/dbraw/zinc/20/51/67/1325205167.db2.gz UFQGNZVYBUDNCA-ZIAGYGMSSA-N 2 0 337.895 3.473 10 0 EGAERP COc1cc([C@H](C)[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc(OC)c1OC ZINC000925553818 1325206179 /nfs/dbraw/zinc/20/61/79/1325206179.db2.gz SAIZBCKVKCNJIJ-QEJZJMRPSA-N 2 0 336.476 3.269 10 0 EGAERP O[C@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000925556101 1325207275 /nfs/dbraw/zinc/20/72/75/1325207275.db2.gz JUWNWWZPCSUPJD-QUDVFMAMSA-N 2 0 346.540 3.277 10 0 EGAERP O[C@H]1CCC[C@H]1[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000925556099 1325207464 /nfs/dbraw/zinc/20/74/64/1325207464.db2.gz JUWNWWZPCSUPJD-HFPIOELMSA-N 2 0 346.540 3.277 10 0 EGAERP Cc1ccccc1C1(C[NH2+][C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CCOCC1 ZINC000925558156 1325208041 /nfs/dbraw/zinc/20/80/41/1325208041.db2.gz NVGKNQHTMSHRFA-HOJAQTOUSA-N 2 0 342.527 3.409 10 0 EGAERP C(Cc1nc2c(s1)CCCC2)[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925600375 1325228690 /nfs/dbraw/zinc/22/86/90/1325228690.db2.gz VNUSWSZIAFWBPB-HOTGVXAUSA-N 2 0 333.545 3.322 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925615153 1325231655 /nfs/dbraw/zinc/23/16/55/1325231655.db2.gz MQNFMAWPYVATND-QRQLOZEOSA-N 2 0 332.488 3.028 10 0 EGAERP CCC1(C[NH2+][C@H](C)c2cnnn2C)CC[NH+](Cc2ccccc2)CC1 ZINC000925618857 1325232991 /nfs/dbraw/zinc/23/29/91/1325232991.db2.gz JZAOOONFOQXXCT-QGZVFWFLSA-N 2 0 341.503 3.158 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cc(F)cc(Cl)c1 ZINC000925659661 1325252746 /nfs/dbraw/zinc/25/27/46/1325252746.db2.gz ZCFNGHFMDPHNSR-RCCFBDPRSA-N 2 0 340.870 3.270 10 0 EGAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1[C@H]3Cc4c(cccc4Br)[C@@H]13)[NH2+]2 ZINC000925724121 1325270783 /nfs/dbraw/zinc/27/07/83/1325270783.db2.gz GTFIUQHVMKFDOW-IUXVIFHVSA-N 2 0 347.300 3.206 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]CCC2CC[NH+](Cc3ccccc3)CC2)C12CCC2 ZINC000925723439 1325270972 /nfs/dbraw/zinc/27/09/72/1325270972.db2.gz VPYBDBQQUWIUET-PMACEKPBSA-N 3 0 327.516 3.148 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]C[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925738504 1325275661 /nfs/dbraw/zinc/27/56/61/1325275661.db2.gz XKXORWHROMTLFP-OALUTQOASA-N 2 0 332.488 3.032 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925738503 1325275956 /nfs/dbraw/zinc/27/59/56/1325275956.db2.gz XKXORWHROMTLFP-MOPGFXCFSA-N 2 0 332.488 3.032 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+]CC[C@@H]1CCC2(CCOCC2)CO1 ZINC000925772704 1325293657 /nfs/dbraw/zinc/29/36/57/1325293657.db2.gz JFIWECFJPCAMAX-QYZOEREBSA-N 2 0 338.536 3.253 10 0 EGAERP FC1(F)CC[NH2+]C[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000925785723 1325301253 /nfs/dbraw/zinc/30/12/53/1325301253.db2.gz VGRUKJLCZFNEII-CADBVGFASA-N 2 0 349.469 3.016 10 0 EGAERP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925816218 1325313744 /nfs/dbraw/zinc/31/37/44/1325313744.db2.gz GWPHUZNDZYRXPV-HNNXBMFYSA-N 2 0 343.437 3.303 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)oc1C ZINC000925818988 1325316004 /nfs/dbraw/zinc/31/60/04/1325316004.db2.gz WUJYEVYBNDUDOB-INIZCTEOSA-N 2 0 327.472 3.152 10 0 EGAERP FC(F)(F)[C@@H]1C[C@H]1C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000925833584 1325321319 /nfs/dbraw/zinc/32/13/19/1325321319.db2.gz TVQHSMPBIISALY-ADSMDIBLSA-N 2 0 326.362 3.030 10 0 EGAERP CC1(C)[C@H]([NH2+]CCCCCN2CC[NH2+]CC2)C[C@@H]1c1ccccc1 ZINC000925843997 1325325290 /nfs/dbraw/zinc/32/52/90/1325325290.db2.gz HUHMXLDMKDRELW-WOJBJXKFSA-N 2 0 329.532 3.234 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CC[C@@H]1OCCc2ccccc21 ZINC000925881564 1325341268 /nfs/dbraw/zinc/34/12/68/1325341268.db2.gz UHPCQVANBNXYDV-XOBRGWDASA-N 2 0 325.456 3.203 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000926137344 1325443987 /nfs/dbraw/zinc/44/39/87/1325443987.db2.gz UKIWMXHNVXKPKG-WCIQWLHISA-N 2 0 344.499 3.028 10 0 EGAERP COC[C@H](CC[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)OC ZINC000926680011 1327663011 /nfs/dbraw/zinc/66/30/11/1327663011.db2.gz JNBFKHAIJNBPTI-VTHDOGFWSA-N 2 0 346.515 3.213 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cnc(Cl)c(F)c2)c1 ZINC000865417376 1329694408 /nfs/dbraw/zinc/69/44/08/1329694408.db2.gz ILIYGIZRGSNMOS-UHFFFAOYSA-N 2 0 337.826 3.104 10 0 EGAERP Cn1nc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)c2ccccc21 ZINC000865773547 1329736941 /nfs/dbraw/zinc/73/69/41/1329736941.db2.gz CVPAYUBTVJNFLQ-UHFFFAOYSA-N 2 0 348.494 3.327 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866280388 1330090229 /nfs/dbraw/zinc/09/02/29/1330090229.db2.gz VFGIXJRHTSHMPM-OLZOCXBDSA-N 2 0 339.867 3.489 10 0 EGAERP Cc1cccc(C[C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000866384673 1330104702 /nfs/dbraw/zinc/10/47/02/1330104702.db2.gz CGJICEBCDUUXFW-GOSISDBHSA-N 2 0 330.516 3.407 10 0 EGAERP CC(C)[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccccn1 ZINC000866385467 1330104996 /nfs/dbraw/zinc/10/49/96/1330104996.db2.gz MGOWLABUOAKNQH-FQEVSTJZSA-N 2 0 331.504 3.259 10 0 EGAERP C[C@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517004 1330120974 /nfs/dbraw/zinc/12/09/74/1330120974.db2.gz UOQNPYZISCFOBD-YLJXDBKYSA-N 2 0 344.547 3.145 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000866529760 1330122327 /nfs/dbraw/zinc/12/23/27/1330122327.db2.gz SDXXQSSUBONRMZ-HKUYNNGSSA-N 2 0 346.515 3.484 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001323471887 1387374134 /nfs/dbraw/zinc/37/41/34/1387374134.db2.gz HDIFNVFSXRDYIY-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([C@H]2CC[N@H+](CCCC3CCC3)C2)CC1 ZINC001323637134 1387413722 /nfs/dbraw/zinc/41/37/22/1387413722.db2.gz JIQAOXZUIWGARH-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CCCCCC1 ZINC001323722230 1387432088 /nfs/dbraw/zinc/43/20/88/1387432088.db2.gz NNXXIDOEEHHRMU-OALUTQOASA-N 2 0 335.536 3.164 10 0 EGAERP Cc1c(C(=O)N(C)C2C[NH+](C[C@H](C)CC(C)C)C2)ccc2c[nH+]cn21 ZINC001323945180 1387498851 /nfs/dbraw/zinc/49/88/51/1387498851.db2.gz HZBTZUFJCRDDSX-OAHLLOKOSA-N 2 0 342.487 3.081 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@]2(CC[NH+](CC3CC(C)C3)C2)C1 ZINC001324556524 1387672654 /nfs/dbraw/zinc/67/26/54/1387672654.db2.gz IAIIGELQIRTQOJ-GZNCHQMQSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@@H+]2CC[C@@](C)(NC(=O)CC[NH+](C)C)C2)cc1 ZINC001324646825 1387716968 /nfs/dbraw/zinc/71/69/68/1387716968.db2.gz IZVHQWXCDRTQLK-LAUBAEHRSA-N 2 0 345.531 3.403 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C(C)C ZINC001325364769 1387950185 /nfs/dbraw/zinc/95/01/85/1387950185.db2.gz ZHYNBLGGTZPZTI-UYAOXDASSA-N 2 0 345.531 3.279 10 0 EGAERP CO[C@H](C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1)c1ccc(F)cc1 ZINC001197378424 1368801285 /nfs/dbraw/zinc/80/12/85/1368801285.db2.gz ZFUDIUDMVAVLSP-HNAYVOBHSA-N 2 0 329.419 3.119 10 0 EGAERP c1nc2cc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2s1 ZINC001205831055 1370887481 /nfs/dbraw/zinc/88/74/81/1370887481.db2.gz HDXGFRPTBYQASL-UHFFFAOYSA-N 2 0 345.512 3.231 10 0 EGAERP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)cc2)cn1 ZINC001118379748 1371170110 /nfs/dbraw/zinc/17/01/10/1371170110.db2.gz NTYWPYRVCVLTBF-FQEVSTJZSA-N 2 0 338.499 3.299 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001326490385 1388214813 /nfs/dbraw/zinc/21/48/13/1388214813.db2.gz QMBBOBOLCGRZKC-VQIMIIECSA-N 2 0 345.531 3.341 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001326512635 1388225043 /nfs/dbraw/zinc/22/50/43/1388225043.db2.gz JLNRJELRKGLSSW-MKXGPGLRSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001326736173 1388295072 /nfs/dbraw/zinc/29/50/72/1388295072.db2.gz HJWSXJMPAINDFA-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2CC2)cc1 ZINC001326748049 1388298564 /nfs/dbraw/zinc/29/85/64/1388298564.db2.gz NKAQEMMBBYYZPQ-HXUWFJFHSA-N 2 0 343.515 3.133 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)[C@H]2CCC[NH+]2C)c1 ZINC001327245777 1388461935 /nfs/dbraw/zinc/46/19/35/1388461935.db2.gz QDVAIFRGYLZGCS-UYAOXDASSA-N 2 0 345.531 3.239 10 0 EGAERP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)C1 ZINC001264122067 1377140007 /nfs/dbraw/zinc/14/00/07/1377140007.db2.gz FUFSKVJGENOSFF-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001265707990 1377163297 /nfs/dbraw/zinc/16/32/97/1377163297.db2.gz IEFNDHQLXVKDAJ-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266113460 1377190370 /nfs/dbraw/zinc/19/03/70/1377190370.db2.gz OCZSVWUDCKAWAW-LJQANCHMSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](CCC(C)(C)C)C1CC1 ZINC001266174625 1377216972 /nfs/dbraw/zinc/21/69/72/1377216972.db2.gz OKNQKMYLEUVXCR-CALCHBBNSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001266361259 1377295932 /nfs/dbraw/zinc/29/59/32/1377295932.db2.gz JXTIZOHODFOVQQ-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H]([NH2+]CC3CC(C)(C)C3)C2)CCCCC1 ZINC001266540894 1377330043 /nfs/dbraw/zinc/33/00/43/1377330043.db2.gz NWEZACXDLGDFAN-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001266741032 1377371181 /nfs/dbraw/zinc/37/11/81/1377371181.db2.gz HZEORJXBPDBBGX-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001267047142 1377408288 /nfs/dbraw/zinc/40/82/88/1377408288.db2.gz HYANOACHFWKTPC-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001267071448 1377410103 /nfs/dbraw/zinc/41/01/03/1377410103.db2.gz UWEFPHIJRMGILC-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)Nc2cccc(CC[NH+]3CCCC3)c2)CCCC1 ZINC001137586600 1377568471 /nfs/dbraw/zinc/56/84/71/1377568471.db2.gz VJSBIJQQCNYBDA-UHFFFAOYSA-N 2 0 329.488 3.138 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC001137728157 1377606375 /nfs/dbraw/zinc/60/63/75/1377606375.db2.gz WCNJURZNFCRYSE-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2CCC[C@H]2NC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001272344198 1377666307 /nfs/dbraw/zinc/66/63/07/1377666307.db2.gz RSTUZTMQTSROOK-VQTJNVASSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cs1 ZINC001274413813 1378124422 /nfs/dbraw/zinc/12/44/22/1378124422.db2.gz ORXGEMUXQBUGAZ-KEGWNNHHSA-N 2 0 349.544 3.083 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001275609207 1378148576 /nfs/dbraw/zinc/14/85/76/1378148576.db2.gz MTQQXQGGSOWLMX-IOJLRTSASA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC(C)CC1)NC(=O)C1([NH+](C)C)CCC1 ZINC001277209876 1378210990 /nfs/dbraw/zinc/21/09/90/1378210990.db2.gz HPIPGQYFBXGFBA-LXPRWKDFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1)c1ccccc1F ZINC001282619438 1378518525 /nfs/dbraw/zinc/51/85/25/1378518525.db2.gz UQKGIIUWDFSXPJ-INIZCTEOSA-N 2 0 349.494 3.247 10 0 EGAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCCC1 ZINC001282619688 1378518864 /nfs/dbraw/zinc/51/88/64/1378518864.db2.gz YFOKRNRJYBKZMX-SQNIBIBYSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001282648230 1378522563 /nfs/dbraw/zinc/52/25/63/1378522563.db2.gz RJHHJJXNPUYRDZ-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327541958 1388556360 /nfs/dbraw/zinc/55/63/60/1388556360.db2.gz SKBBLQMOGVLZBN-FQEVSTJZSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001282740822 1378592011 /nfs/dbraw/zinc/59/20/11/1378592011.db2.gz PIHLNGOQSHRRBT-HMTUNPETSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001282744602 1378595654 /nfs/dbraw/zinc/59/56/54/1378595654.db2.gz LCQBPZHOIRBFIZ-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](CCC2=CCCCC2)CC1(C)C ZINC001282830940 1378631875 /nfs/dbraw/zinc/63/18/75/1378631875.db2.gz CNYGBXWACXXZAJ-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001282977541 1378695382 /nfs/dbraw/zinc/69/53/82/1378695382.db2.gz JZCYRHMNUXTSSV-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001283172832 1378752688 /nfs/dbraw/zinc/75/26/88/1378752688.db2.gz FVIBTLYSZMZSDN-LPHOPBHVSA-N 2 0 349.494 3.073 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001283172834 1378752778 /nfs/dbraw/zinc/75/27/78/1378752778.db2.gz FVIBTLYSZMZSDN-VQIMIIECSA-N 2 0 349.494 3.073 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001283449343 1378944823 /nfs/dbraw/zinc/94/48/23/1378944823.db2.gz DLGPBPGMNIJPQJ-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](CN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]C/C=C\c1ccccc1 ZINC001283616896 1379055522 /nfs/dbraw/zinc/05/55/22/1379055522.db2.gz BVUZWIYYEMWBHU-GDSCYZHGSA-N 2 0 343.515 3.011 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c(C)c1 ZINC001283937193 1379287026 /nfs/dbraw/zinc/28/70/26/1379287026.db2.gz ATCRZHYBIKBSOX-UYAOXDASSA-N 2 0 345.531 3.031 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001284067388 1379426089 /nfs/dbraw/zinc/42/60/89/1379426089.db2.gz LDWNRASYVAQUHC-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@H]1[N@H+](CCCC1CCCC1)CC2 ZINC001284071196 1379433838 /nfs/dbraw/zinc/43/38/38/1379433838.db2.gz WQNRYEMSGNFZRA-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC1(C)C ZINC001284309474 1379698075 /nfs/dbraw/zinc/69/80/75/1379698075.db2.gz JKQJXVAOTNJJRO-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001284643077 1380049841 /nfs/dbraw/zinc/04/98/41/1380049841.db2.gz QHWCZGJVORLMGR-RTBURBONSA-N 2 0 345.531 3.136 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001284643068 1380049961 /nfs/dbraw/zinc/04/99/61/1380049961.db2.gz QHWCZGJVORLMGR-MOPGFXCFSA-N 2 0 345.531 3.136 10 0 EGAERP O=C(Nc1ccccc1Nc1cc[nH+]cc1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001156432455 1380575642 /nfs/dbraw/zinc/57/56/42/1380575642.db2.gz VOFUMSWMRYNGTD-VQIMIIECSA-N 2 0 336.439 3.203 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1ccccc1F ZINC001328281406 1388712525 /nfs/dbraw/zinc/71/25/25/1388712525.db2.gz COGUBGMHEUTBBT-SJLPKXTDSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001328460146 1388751475 /nfs/dbraw/zinc/75/14/75/1388751475.db2.gz ZDYWMOZMGCDFDR-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)C[NH+]1CCC2(CCN(C(=O)CCCC[NH+](C)C)CC2)CC1 ZINC001328509170 1388767547 /nfs/dbraw/zinc/76/75/47/1388767547.db2.gz FBSFYSINJNFHIK-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP COc1cc(C[NH+](C)C)ccc1NC(=O)C1CC[NH+](CC(C)C)CC1 ZINC001161204189 1382339380 /nfs/dbraw/zinc/33/93/80/1382339380.db2.gz DSPDQESFNWLGGL-UHFFFAOYSA-N 2 0 347.503 3.063 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001328812036 1388878620 /nfs/dbraw/zinc/87/86/20/1388878620.db2.gz HXYZVGCTZLEIDE-PRPIBZDOSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)(C)CC[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001328859203 1388889191 /nfs/dbraw/zinc/88/91/91/1388889191.db2.gz KWEFFLDEZNLOHI-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP COc1ccc([C@H](C)C[NH+]2CCC(O)(C[NH+]3CCCCC3)CC2)cc1 ZINC001308149620 1384101082 /nfs/dbraw/zinc/10/10/82/1384101082.db2.gz FFTUPONGZKBCJX-GOSISDBHSA-N 2 0 346.515 3.112 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2ccc(C(F)F)cc2)CC1 ZINC001308152182 1384101719 /nfs/dbraw/zinc/10/17/19/1384101719.db2.gz VWAIXCDPWVDAAN-UHFFFAOYSA-N 2 0 338.442 3.437 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001316601460 1384468184 /nfs/dbraw/zinc/46/81/84/1384468184.db2.gz PWDQUSPNVGNYPW-QZTJIDSGSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001316671327 1384514706 /nfs/dbraw/zinc/51/47/06/1384514706.db2.gz RKACSARVHOMRAF-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001316680627 1384521453 /nfs/dbraw/zinc/52/14/53/1384521453.db2.gz GVKKNTJDMLHPJM-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCCCC[C@@H]([NH2+]CCCF)C2)cc1 ZINC001316774925 1384573664 /nfs/dbraw/zinc/57/36/64/1384573664.db2.gz WDXKIMWUQJWDGO-LJQANCHMSA-N 2 0 349.494 3.082 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CCCC[NH+](C)C)CC(C)(C)C1 ZINC001316810820 1384607188 /nfs/dbraw/zinc/60/71/88/1384607188.db2.gz JAERCTXQMWCAHX-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1cccc(C[NH+]2CCC(N(C)C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001316936307 1384708065 /nfs/dbraw/zinc/70/80/65/1384708065.db2.gz YYNKXVDVADTANR-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP Cc1cccc([C@@H](C)[NH+]2CCC(N(C)C(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001316937059 1384708856 /nfs/dbraw/zinc/70/88/56/1384708856.db2.gz JFTSNMHUNNPLPP-GOSISDBHSA-N 2 0 345.531 3.319 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001316983969 1384741454 /nfs/dbraw/zinc/74/14/54/1384741454.db2.gz ZADDRFVMUTWWRM-PKOBYXMFSA-N 2 0 335.536 3.164 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](C(C)C)CC1 ZINC001317006311 1384768403 /nfs/dbraw/zinc/76/84/03/1384768403.db2.gz RYUXZEDQXBCHLR-IEBWSBKVSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001317033067 1384802229 /nfs/dbraw/zinc/80/22/29/1384802229.db2.gz FBMXWMUOJFDFQH-UXHICEINSA-N 2 0 347.547 3.092 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCC3)C2)CCCCC1 ZINC001317083523 1384847027 /nfs/dbraw/zinc/84/70/27/1384847027.db2.gz XONCAZYMBWIPLQ-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001317137521 1384901356 /nfs/dbraw/zinc/90/13/56/1384901356.db2.gz LSCHQDWKRMUJSE-WOJBJXKFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317167174 1384931787 /nfs/dbraw/zinc/93/17/87/1384931787.db2.gz SXNYYKHLDGKIBJ-IBGZPJMESA-N 2 0 343.515 3.156 10 0 EGAERP CCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001317192902 1384967398 /nfs/dbraw/zinc/96/73/98/1384967398.db2.gz HSKTZBSNSIEYNG-MOPGFXCFSA-N 2 0 331.504 3.060 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001317294273 1385066396 /nfs/dbraw/zinc/06/63/96/1385066396.db2.gz KEGBICWHPDEGAH-AZUAARDMSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317320729 1385079789 /nfs/dbraw/zinc/07/97/89/1385079789.db2.gz BNKWJCVHRTUMDF-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001317333917 1385087115 /nfs/dbraw/zinc/08/71/15/1385087115.db2.gz OSIYBEGLPSGHSP-UYAOXDASSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@H](C[NH2+]CCC3CCCCCC3)C2)CC1 ZINC001317335504 1385088436 /nfs/dbraw/zinc/08/84/36/1385088436.db2.gz QWKVAUJZFYMZJI-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317340475 1385092490 /nfs/dbraw/zinc/09/24/90/1385092490.db2.gz LHXBYTMSIVEIFR-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001317342988 1385094127 /nfs/dbraw/zinc/09/41/27/1385094127.db2.gz IYEVBCDGNMJPPH-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317345476 1385095911 /nfs/dbraw/zinc/09/59/11/1385095911.db2.gz AUCYRFXTLHKUBM-VOFKWLDRSA-N 2 0 343.515 3.156 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317346482 1385096675 /nfs/dbraw/zinc/09/66/75/1385096675.db2.gz VMVVCZCMQKXMDR-MOPGFXCFSA-N 2 0 345.531 3.143 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317354059 1385101593 /nfs/dbraw/zinc/10/15/93/1385101593.db2.gz BRARVXGNZLOHSN-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317361504 1385104382 /nfs/dbraw/zinc/10/43/82/1385104382.db2.gz USWBAUUABRNZIJ-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001317362946 1385105257 /nfs/dbraw/zinc/10/52/57/1385105257.db2.gz IVGCJRYRFJQPRK-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC(C)C1 ZINC001317397010 1385113469 /nfs/dbraw/zinc/11/34/69/1385113469.db2.gz FFONSDKAAXCLES-AQFXKWCLSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001317411066 1385122180 /nfs/dbraw/zinc/12/21/80/1385122180.db2.gz BGKGSTQOWCROOU-HKUYNNGSSA-N 2 0 345.531 3.136 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)CC1=CCCCC1 ZINC001317491818 1385192253 /nfs/dbraw/zinc/19/22/53/1385192253.db2.gz FOIWVDAQYVDHNB-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCCC1CCC1 ZINC001317500650 1385202084 /nfs/dbraw/zinc/20/20/84/1385202084.db2.gz BASQKAKMWBSLPN-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@@H](C)c1cc(C)ccc1C ZINC001317509593 1385218566 /nfs/dbraw/zinc/21/85/66/1385218566.db2.gz QNQWHOCOLHZOPA-OALUTQOASA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CCC1CCCC1)[NH+]1CCCC1 ZINC001317514152 1385228265 /nfs/dbraw/zinc/22/82/65/1385228265.db2.gz UWCRLURBRPYPTG-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001317547925 1385301067 /nfs/dbraw/zinc/30/10/67/1385301067.db2.gz PRSRFNINULTBJT-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001317552301 1385313654 /nfs/dbraw/zinc/31/36/54/1385313654.db2.gz RHIKYOUSFGJHJR-IBGZPJMESA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)CC1CCC1 ZINC001317707028 1385409983 /nfs/dbraw/zinc/40/99/83/1385409983.db2.gz LLANXDSYBPDVAK-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001317713787 1385415051 /nfs/dbraw/zinc/41/50/51/1385415051.db2.gz HXAKJDWOUGPLTJ-PMACEKPBSA-N 2 0 345.531 3.165 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)c1ccc(C(C)C)cc1 ZINC001317714193 1385415570 /nfs/dbraw/zinc/41/55/70/1385415570.db2.gz NQDITVCZEOATOS-LJQANCHMSA-N 2 0 331.504 3.063 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c1ccccc1 ZINC001317721615 1385422035 /nfs/dbraw/zinc/42/20/35/1385422035.db2.gz WQAJKDFHNNUAHR-RTBURBONSA-N 2 0 345.531 3.354 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001317725329 1385425122 /nfs/dbraw/zinc/42/51/22/1385425122.db2.gz SIHOHXVESRQQJJ-QUCCMNQESA-N 2 0 345.531 3.498 10 0 EGAERP CCCN(C(=O)CC1CC[NH+](C)CC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001317767858 1385458388 /nfs/dbraw/zinc/45/83/88/1385458388.db2.gz WBNFVTATLNYCJB-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H](CCNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001317796325 1385489313 /nfs/dbraw/zinc/48/93/13/1385489313.db2.gz WJOBOSCJSSMQFI-LJQANCHMSA-N 2 0 349.563 3.293 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001317876510 1385555740 /nfs/dbraw/zinc/55/57/40/1385555740.db2.gz ZHKXRGGQXITXGZ-GGVAOPBYSA-N 2 0 349.563 3.243 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001329154117 1388993262 /nfs/dbraw/zinc/99/32/62/1388993262.db2.gz WIYUQWWXOKUBLA-HOTGVXAUSA-N 2 0 325.541 3.026 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001317972608 1385593953 /nfs/dbraw/zinc/59/39/53/1385593953.db2.gz IDPMIWREUGYCBB-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1cccc(C)c1 ZINC001318541420 1385745090 /nfs/dbraw/zinc/74/50/90/1385745090.db2.gz MZDSDBZQPFXPHH-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)C[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001318931346 1385885914 /nfs/dbraw/zinc/88/59/14/1385885914.db2.gz OCLSRWBQLIDWNL-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001318983259 1385908678 /nfs/dbraw/zinc/90/86/78/1385908678.db2.gz IHRJNLTVGVGHSG-BZSNNMDCSA-N 2 0 341.515 3.018 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001319093077 1385958844 /nfs/dbraw/zinc/95/88/44/1385958844.db2.gz MAAPSIKVCFTDDM-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH+]1CC2(C1)CCN(C(=O)[C@H](CC)[NH+](CC)CC)CC2 ZINC001319405501 1386106542 /nfs/dbraw/zinc/10/65/42/1386106542.db2.gz OXLOPVNGKHEFJX-YXBWYFRISA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319622646 1386217095 /nfs/dbraw/zinc/21/70/95/1386217095.db2.gz ZDVBVQZHDFQDHD-UXHICEINSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C2CCCCC2)CC[N@@H+]1C ZINC001319658848 1386238330 /nfs/dbraw/zinc/23/83/30/1386238330.db2.gz BQGWIZURVLAVSM-VDGAXYAQSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]CCCC2CCC2)CCCC1 ZINC001698635694 1406281119 /nfs/dbraw/zinc/28/11/19/1406281119.db2.gz CBFDFHODVUNYJC-HDICACEKSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCCCCC2)CCCC1 ZINC001698636784 1406282161 /nfs/dbraw/zinc/28/21/61/1406282161.db2.gz WJXUNEKTRHMMPR-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001319710102 1386263528 /nfs/dbraw/zinc/26/35/28/1386263528.db2.gz RHQXENHNXGVVOI-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001319809420 1386307946 /nfs/dbraw/zinc/30/79/46/1386307946.db2.gz NHJMWNGPXDPFOX-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001319868584 1386346206 /nfs/dbraw/zinc/34/62/06/1386346206.db2.gz LPIRQEFQGOKHCN-UYAOXDASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC001319906455 1386381159 /nfs/dbraw/zinc/38/11/59/1386381159.db2.gz OSBWNMLNHRLXLB-PMACEKPBSA-N 2 0 345.531 3.135 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@@H]1CC[C@@H](C2CC2)O1 ZINC001179690478 1386554987 /nfs/dbraw/zinc/55/49/87/1386554987.db2.gz HTZWUKNJUPGIBP-SFTDATJTSA-N 2 0 344.499 3.208 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)c1 ZINC001320420663 1386605366 /nfs/dbraw/zinc/60/53/66/1386605366.db2.gz AEWHKYRYKNXCIC-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](CC[NH2+]C/C=C\c1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320516400 1386634442 /nfs/dbraw/zinc/63/44/42/1386634442.db2.gz HQKDGGISEHLFJO-ZVBPTUHVSA-N 2 0 343.515 3.059 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCC2)C1)[NH+](C)C ZINC001698670953 1406320378 /nfs/dbraw/zinc/32/03/78/1406320378.db2.gz BVYZAOGYNQOVJE-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001698675135 1406324035 /nfs/dbraw/zinc/32/40/35/1406324035.db2.gz XWMLJSKUZPRHRO-IEBWSBKVSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001321281035 1386865831 /nfs/dbraw/zinc/86/58/31/1386865831.db2.gz PRWAKLNBOIKLFB-MJRGOJFPSA-N 2 0 343.515 3.050 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698693496 1406338046 /nfs/dbraw/zinc/33/80/46/1406338046.db2.gz AKJTVXYZTOKCFZ-QZTJIDSGSA-N 2 0 339.568 3.229 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001322308259 1387152924 /nfs/dbraw/zinc/15/29/24/1387152924.db2.gz VQUHMWGIDIKENR-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC(CC[NH2+]CC2CCC2)CC1 ZINC001698704330 1406345811 /nfs/dbraw/zinc/34/58/11/1406345811.db2.gz JGIXBJGWIHAREC-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP C[C@@H]1[C@H](C(=O)N(C)CCC[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001322512169 1387198822 /nfs/dbraw/zinc/19/88/22/1387198822.db2.gz QQAWUPFUEIGYMA-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1c(C(=O)N(C)CCC[NH2+]CC2CC(C)(C)C2)ccc2c[nH+]cn21 ZINC001322580500 1387208619 /nfs/dbraw/zinc/20/86/19/1387208619.db2.gz JEPVPWOZLVPHAO-UHFFFAOYSA-N 2 0 342.487 3.131 10 0 EGAERP Cn1cc(-c2ccc(C[NH2+]C3CCC(C)([NH+](C)C)CC3)cc2)cn1 ZINC001329293215 1389052817 /nfs/dbraw/zinc/05/28/17/1389052817.db2.gz SPRGRSJVXJFHCR-UHFFFAOYSA-N 2 0 326.488 3.440 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C)CC[N@@H+]1C ZINC001329328544 1389064704 /nfs/dbraw/zinc/06/47/04/1389064704.db2.gz XBTFHKXTTJASEA-IRXDYDNUSA-N 2 0 339.568 3.227 10 0 EGAERP Fc1ccccc1-c1nc(C[N@@H+]2CCCC3(CC[NH2+]CC3)C2)co1 ZINC001329595678 1389173760 /nfs/dbraw/zinc/17/37/60/1389173760.db2.gz HKRCBAZXSXKJIJ-UHFFFAOYSA-N 2 0 329.419 3.446 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C1CC[NH+](C)CC1)[NH2+]CC1=CCCCC1 ZINC001329749356 1389217409 /nfs/dbraw/zinc/21/74/09/1389217409.db2.gz GTGIRNCVUUGYCC-FQEVSTJZSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001329761891 1389221143 /nfs/dbraw/zinc/22/11/43/1389221143.db2.gz QUOCEDJFGJLJGL-IBGZPJMESA-N 2 0 337.552 3.147 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1(C[NH2+]CC2CCC2)CCCCC1 ZINC001329860937 1389238329 /nfs/dbraw/zinc/23/83/29/1389238329.db2.gz NKPGUXMMGORHRA-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC001329951913 1389271324 /nfs/dbraw/zinc/27/13/24/1389271324.db2.gz ILNHRUOKSUZRPW-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001330018240 1389286253 /nfs/dbraw/zinc/28/62/53/1389286253.db2.gz BLTHXTCFNLHMCS-INIZCTEOSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+](CC2=CCCCC2)CC1 ZINC001698726874 1406377307 /nfs/dbraw/zinc/37/73/07/1406377307.db2.gz IXKFHZVAZZIJFX-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](CCC[NH2+]C(C)C)c1ccccc1 ZINC001331175917 1389643249 /nfs/dbraw/zinc/64/32/49/1389643249.db2.gz FKHFUJCITLUQQB-PMACEKPBSA-N 2 0 345.531 3.497 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCCC1 ZINC001331199256 1389651698 /nfs/dbraw/zinc/65/16/98/1389651698.db2.gz FMBGJIJBESDUHF-VQTJNVASSA-N 2 0 349.563 3.029 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001331927913 1389915362 /nfs/dbraw/zinc/91/53/62/1389915362.db2.gz IJXNHNMPZNXEMI-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001332046824 1389956463 /nfs/dbraw/zinc/95/64/63/1389956463.db2.gz HWWBTAQAYUASFP-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCCC[C@H]1C(=O)NC1CCC2(CC1)CC[NH+](C)CC2 ZINC001339443101 1390031226 /nfs/dbraw/zinc/03/12/26/1390031226.db2.gz ACJXKXCXJIIMNP-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332823518 1390194680 /nfs/dbraw/zinc/19/46/80/1390194680.db2.gz IKXVVXTUHTUZFT-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC1 ZINC001332861700 1390204102 /nfs/dbraw/zinc/20/41/02/1390204102.db2.gz UGSFMYULMKQSDM-LJQANCHMSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001332960481 1390225155 /nfs/dbraw/zinc/22/51/55/1390225155.db2.gz VAIUIHIZBCKVHX-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001333015014 1390236919 /nfs/dbraw/zinc/23/69/19/1390236919.db2.gz PFVLQUGBNNMPRG-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@@H](C[N@@H+]2CC[C@@H](Oc3ccncc3)C2)O1 ZINC001333017008 1390237431 /nfs/dbraw/zinc/23/74/31/1390237431.db2.gz LXSISSNJHLNRTK-ZNMIVQPWSA-N 2 0 330.350 3.035 10 0 EGAERP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H]2CC[C@H](C(F)(F)F)O2)n1 ZINC001333138116 1390254330 /nfs/dbraw/zinc/25/43/30/1390254330.db2.gz LDRIGRKIVGPZCN-RRFJBIMHSA-N 2 0 343.393 3.376 10 0 EGAERP CC[C@@H](C(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1)[NH+](C)C ZINC001333180771 1390262144 /nfs/dbraw/zinc/26/21/44/1390262144.db2.gz SNTODDPJZLWRIK-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001333459130 1390309138 /nfs/dbraw/zinc/30/91/38/1390309138.db2.gz YJUSCZYFSXQHJV-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](C(=O)N1CCC(C(C)(C)C[NH+](C)C)CC1)[NH+]1[C@H](C)CC[C@H]1C ZINC001334946071 1390624823 /nfs/dbraw/zinc/62/48/23/1390624823.db2.gz ZTHJIVBIIFQAKZ-ZACQAIPSSA-N 2 0 337.552 3.074 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C1CC[NH+](CCC2CC2)CC1)[NH+]1CCCC1 ZINC001486441807 1391008309 /nfs/dbraw/zinc/00/83/09/1391008309.db2.gz SQBHCEIYRXCTMP-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2ccccc2C(C)C)C1)[NH+](C)C ZINC001486481084 1391011005 /nfs/dbraw/zinc/01/10/05/1391011005.db2.gz ZKJIVOJYPSUBLV-AFMYVXGZSA-N 2 0 345.531 3.229 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001698804509 1406484175 /nfs/dbraw/zinc/48/41/75/1406484175.db2.gz VQZKAMLPVLWEFY-HDICACEKSA-N 2 0 337.552 3.314 10 0 EGAERP CCc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698838292 1406534322 /nfs/dbraw/zinc/53/43/22/1406534322.db2.gz VUGPHQBLEIHURQ-QGZVFWFLSA-N 2 0 345.531 3.060 10 0 EGAERP CCC(CC)C[NH+]1CC[C@H]1CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479249162 1392199457 /nfs/dbraw/zinc/19/94/57/1392199457.db2.gz FCJQPHPFCITLQO-MJGOQNOKSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[C@@H]([NH2+]CC3CCC3)C2)CCCCC1 ZINC001479466545 1392249991 /nfs/dbraw/zinc/24/99/91/1392249991.db2.gz FIKSMQDNTSRCGP-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001479478886 1392252720 /nfs/dbraw/zinc/25/27/20/1392252720.db2.gz FOAUYFHOUNPWHL-ODNCXDDGSA-N 2 0 349.563 3.482 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001479565821 1392277296 /nfs/dbraw/zinc/27/72/96/1392277296.db2.gz VPKBPJSYNNEZRM-UOUNDWCUSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCCC(C)C ZINC001479634751 1392299141 /nfs/dbraw/zinc/29/91/41/1392299141.db2.gz IRHAHWMOCGCOIM-OTWHNJEPSA-N 2 0 337.552 3.265 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)CC[N@@H+]1CCCC(C)C ZINC001479634750 1392299234 /nfs/dbraw/zinc/29/92/34/1392299234.db2.gz IRHAHWMOCGCOIM-IPMKNSEASA-N 2 0 337.552 3.265 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001479735158 1392346558 /nfs/dbraw/zinc/34/65/58/1392346558.db2.gz NMWXTMJEJOTBCX-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC(C)(C)C1 ZINC001479745975 1392362529 /nfs/dbraw/zinc/36/25/29/1392362529.db2.gz OMPWHJLUXCNZSG-INIZCTEOSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CC1CCCC1 ZINC001479846671 1392428429 /nfs/dbraw/zinc/42/84/29/1392428429.db2.gz OQDZJCSIKDBVEQ-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CCCC1 ZINC001479846669 1392428459 /nfs/dbraw/zinc/42/84/59/1392428459.db2.gz OQDZJCSIKDBVEQ-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)C1CC1 ZINC001479865731 1392443363 /nfs/dbraw/zinc/44/33/63/1392443363.db2.gz WVXKUOCXNNDNFO-WOJBJXKFSA-N 2 0 343.515 3.203 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[N@H+](CC2CC(C)(C)C2)C2CC2)CC1 ZINC001479877872 1392453665 /nfs/dbraw/zinc/45/36/65/1392453665.db2.gz FZBCNWPEYVTGOU-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001479889701 1392460427 /nfs/dbraw/zinc/46/04/27/1392460427.db2.gz KFYWCMFQCADYET-PMACEKPBSA-N 2 0 349.563 3.362 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001479906283 1392473662 /nfs/dbraw/zinc/47/36/62/1392473662.db2.gz VSTSOVFAVKXYBJ-LAQIPUCWSA-N 2 0 340.471 3.193 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001479915311 1392482971 /nfs/dbraw/zinc/48/29/71/1392482971.db2.gz QTIIPJMTGUXHLL-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CC[N@H+](CCC2CCCCCC2)C1 ZINC001479965717 1392501511 /nfs/dbraw/zinc/50/15/11/1392501511.db2.gz LHZCFICKTBNKKI-FUHWJXTLSA-N 2 0 346.519 3.139 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001480054682 1392553199 /nfs/dbraw/zinc/55/31/99/1392553199.db2.gz AIWDSGPVEWJGME-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001480060464 1392556210 /nfs/dbraw/zinc/55/62/10/1392556210.db2.gz QTBFFRKJMCPRTA-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C)C1 ZINC001480073864 1392564040 /nfs/dbraw/zinc/56/40/40/1392564040.db2.gz XWNWRMAFHLAQFI-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H]2C[NH+](CCC3CC3)CC[C@H]21)CC(C)(C)C ZINC001480190245 1392619667 /nfs/dbraw/zinc/61/96/67/1392619667.db2.gz YOPOVCKDUQHLMC-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](CNC(=O)C[NH+](C)C(C)C)C1 ZINC001480272717 1392656045 /nfs/dbraw/zinc/65/60/45/1392656045.db2.gz YLOPOJFYKGNFLS-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001480276495 1392656888 /nfs/dbraw/zinc/65/68/88/1392656888.db2.gz MAIYCUMUGRPWSP-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001480293528 1392663094 /nfs/dbraw/zinc/66/30/94/1392663094.db2.gz QQAAKUJWYDCHMJ-OTWHNJEPSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCCC2CCCC2)C1 ZINC001480330384 1392689729 /nfs/dbraw/zinc/68/97/29/1392689729.db2.gz COWPDRROTXPHQD-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC1CCC([NH2+]C/C=C/Cl)CC1 ZINC001480409826 1392745898 /nfs/dbraw/zinc/74/58/98/1392745898.db2.gz UKXIAWHGKAYFOL-IPBNWZBTSA-N 2 0 341.927 3.019 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)[NH2+]Cc2ccc(C(C)C)cc2)CC[N@@H+]1C ZINC001480463765 1392760393 /nfs/dbraw/zinc/76/03/93/1392760393.db2.gz HLYIOHKGTHHYLH-FFZOFVMBSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001480475862 1392763418 /nfs/dbraw/zinc/76/34/18/1392763418.db2.gz VFMSQHCUSYLGCD-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001480695569 1392859466 /nfs/dbraw/zinc/85/94/66/1392859466.db2.gz OZQYGGGJVDDNDW-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC1CCCC1)[C@@H]1CCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001480744131 1392910243 /nfs/dbraw/zinc/91/02/43/1392910243.db2.gz SMFMGEVMIVRIPV-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccccc1C1CC1 ZINC001480772228 1392923846 /nfs/dbraw/zinc/92/38/46/1392923846.db2.gz CEVZLNPRCUGBBC-UZLBHIALSA-N 2 0 343.515 3.033 10 0 EGAERP Cc1c(C(=O)NCC[C@@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001480776862 1392926385 /nfs/dbraw/zinc/92/63/85/1392926385.db2.gz PZJDRIZVZSTEFA-CQSZACIVSA-N 2 0 330.476 3.177 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001480830433 1392970145 /nfs/dbraw/zinc/97/01/45/1392970145.db2.gz VZUIVTMSRJZMET-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cc(C)ccc1C ZINC001480952207 1393043508 /nfs/dbraw/zinc/04/35/08/1393043508.db2.gz ZOUKCJBTHGKFBE-ICSRJNTNSA-N 2 0 345.531 3.287 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](CC)CC ZINC001481058779 1393109207 /nfs/dbraw/zinc/10/92/07/1393109207.db2.gz ZPDAITLJBZWJFM-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)C1CC1 ZINC001481173484 1393141662 /nfs/dbraw/zinc/14/16/62/1393141662.db2.gz JUSBCAJEPUTSCC-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001698895996 1406629114 /nfs/dbraw/zinc/62/91/14/1406629114.db2.gz WPYFQVOGSGLYRD-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CCCC1CCCC1 ZINC001698922396 1406658444 /nfs/dbraw/zinc/65/84/44/1406658444.db2.gz CZSXQQQVEGPNMO-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001698938954 1406678704 /nfs/dbraw/zinc/67/87/04/1406678704.db2.gz OMODKCWKDQULQL-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([C@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939210 1406679142 /nfs/dbraw/zinc/67/91/42/1406679142.db2.gz OWKPYUXQAZFNRJ-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)C[N@@H+]1CC[C@H](C)C1)C1CC[NH+](CC2CCCC2)CC1 ZINC001490618969 1394285945 /nfs/dbraw/zinc/28/59/45/1394285945.db2.gz SGBWFSWMOJFFFX-SFHVURJKSA-N 2 0 349.563 3.221 10 0 EGAERP CCCN(C(=O)C[NH+]1CCCC1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001490623102 1394286968 /nfs/dbraw/zinc/28/69/68/1394286968.db2.gz IAOMGXQTSSHFPN-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001698946994 1406687000 /nfs/dbraw/zinc/68/70/00/1406687000.db2.gz RCVDHHNAQJBLMQ-FYVKXAJJSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCCC(C)C)C1 ZINC001481488780 1394332913 /nfs/dbraw/zinc/33/29/13/1394332913.db2.gz WNURTRSGJVEOQZ-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481491800 1394337146 /nfs/dbraw/zinc/33/71/46/1394337146.db2.gz IAJCHIHTHQVQID-LJQANCHMSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001481491797 1394337365 /nfs/dbraw/zinc/33/73/65/1394337365.db2.gz IAJCHIHTHQVQID-IBGZPJMESA-N 2 0 349.563 3.245 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490827148 1394356166 /nfs/dbraw/zinc/35/61/66/1394356166.db2.gz WSLIIIDJKIVMLJ-CDDIUSEKSA-N 2 0 347.547 3.330 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001698951812 1406692521 /nfs/dbraw/zinc/69/25/21/1406692521.db2.gz JXWWVJLRGXUCDW-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481536802 1394396419 /nfs/dbraw/zinc/39/64/19/1394396419.db2.gz NBGZUJGUDJCCIU-XOUUWWQPSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1cccc(Cl)c1 ZINC001491025651 1394399721 /nfs/dbraw/zinc/39/97/21/1394399721.db2.gz KSGHYWYISWYERA-XYPHTWIQSA-N 2 0 349.906 3.122 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC001491154252 1394452873 /nfs/dbraw/zinc/45/28/73/1394452873.db2.gz QRCUGBZDOJZZKA-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001491170292 1394457065 /nfs/dbraw/zinc/45/70/65/1394457065.db2.gz MEZPGOPZDYUBFI-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481702699 1394460736 /nfs/dbraw/zinc/46/07/36/1394460736.db2.gz DLSOKKLNXABBPG-IEBWSBKVSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001481702227 1394461157 /nfs/dbraw/zinc/46/11/57/1394461157.db2.gz KMGYQZVXSAAEJX-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001491189601 1394463975 /nfs/dbraw/zinc/46/39/75/1394463975.db2.gz COXZLRLNVRLJFJ-MOPGFXCFSA-N 2 0 345.531 3.224 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481731526 1394480561 /nfs/dbraw/zinc/48/05/61/1394480561.db2.gz VFHMUEFRADUNFQ-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1F ZINC001491231880 1394486476 /nfs/dbraw/zinc/48/64/76/1394486476.db2.gz VIWXPBJOUMWLFP-SFHVURJKSA-N 2 0 349.494 3.028 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](N(CC)C(=O)C[NH+]2CCCC2)C1 ZINC001481781353 1394525753 /nfs/dbraw/zinc/52/57/53/1394525753.db2.gz CDJBHYYXUJDPGW-UXHICEINSA-N 2 0 343.515 3.156 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]CC1CCCCCC1 ZINC001481812036 1394541030 /nfs/dbraw/zinc/54/10/30/1394541030.db2.gz ZHHCRLRUFXIOCJ-OALUTQOASA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)CC[NH2+]C[C@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481959139 1394619938 /nfs/dbraw/zinc/61/99/38/1394619938.db2.gz UYMXUGKOQFKJRF-YLJYHZDGSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001481981199 1394642353 /nfs/dbraw/zinc/64/23/53/1394642353.db2.gz LMVSAWXYZQLOBW-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@H]1CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001482027591 1394687007 /nfs/dbraw/zinc/68/70/07/1394687007.db2.gz IYBPZDMRMQZXHF-FHWLQOOXSA-N 2 0 345.531 3.413 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001482302242 1394877857 /nfs/dbraw/zinc/87/78/57/1394877857.db2.gz DMULTYWBOKXXKV-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001482331942 1394901376 /nfs/dbraw/zinc/90/13/76/1394901376.db2.gz WHWASLCPCISFFQ-HGZMWJMZSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1)[NH+](C)C ZINC001482354668 1394918354 /nfs/dbraw/zinc/91/83/54/1394918354.db2.gz SZADAIFXZUQYAA-VQIMIIECSA-N 2 0 333.520 3.087 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001482432719 1394993170 /nfs/dbraw/zinc/99/31/70/1394993170.db2.gz IDALENXPZUTOLV-DLBZAZTESA-N 2 0 339.568 3.227 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001482457727 1395016016 /nfs/dbraw/zinc/01/60/16/1395016016.db2.gz ZIVAACVITPCKDK-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001482497550 1395049510 /nfs/dbraw/zinc/04/95/10/1395049510.db2.gz HEITUKVXUUEQLU-SBUVDCAVSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001482502128 1395054858 /nfs/dbraw/zinc/05/48/58/1395054858.db2.gz XKWGEZZENHOPQP-WEPWYQGCSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCC1)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001483338367 1395098889 /nfs/dbraw/zinc/09/88/89/1395098889.db2.gz DQMOJELZCQLTCG-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CC1=CCCCC1)[NH+](CC)CC ZINC001483945496 1395156278 /nfs/dbraw/zinc/15/62/78/1395156278.db2.gz ZGHWVWUIPYEQNY-OALUTQOASA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001483958392 1395162504 /nfs/dbraw/zinc/16/25/04/1395162504.db2.gz HEPUHHPYOTVAOF-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CCC1 ZINC001698975800 1406744828 /nfs/dbraw/zinc/74/48/28/1406744828.db2.gz PQDYLRGVMHYHPT-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001484057331 1395220587 /nfs/dbraw/zinc/22/05/87/1395220587.db2.gz IFSSLLUBFQLZNB-NRFANRHFSA-N 2 0 345.531 3.016 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484062013 1395225681 /nfs/dbraw/zinc/22/56/81/1395225681.db2.gz ZPNYQFMDQHKXTA-HCZHMGAMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@](C)(CNC(=O)CCC[NH+]2CCCC2)C1 ZINC001484172785 1395314990 /nfs/dbraw/zinc/31/49/90/1395314990.db2.gz ARTLAXBWBJBHAW-QUCCMNQESA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001484721592 1395484098 /nfs/dbraw/zinc/48/40/98/1395484098.db2.gz KQIZXCYCMQJVLW-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001484827867 1395565837 /nfs/dbraw/zinc/56/58/37/1395565837.db2.gz WZWSBAQYSHUSRS-SFHLNBCPSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001484829174 1395567022 /nfs/dbraw/zinc/56/70/22/1395567022.db2.gz FOEKTGPAQQSLAQ-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H](C2CCN(C(=O)C[N@@H+](C)C(C)C)CC2)C1 ZINC001485084557 1395654726 /nfs/dbraw/zinc/65/47/26/1395654726.db2.gz OMWNVPSLNRMVQD-HXUWFJFHSA-N 2 0 349.563 3.243 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001485155784 1395671286 /nfs/dbraw/zinc/67/12/86/1395671286.db2.gz LFYFHFYPGBTSTP-HZPDHXFCSA-N 2 0 343.515 3.031 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001485218219 1395713598 /nfs/dbraw/zinc/71/35/98/1395713598.db2.gz VVSWNIUICBWTPZ-IAGOWNOFSA-N 2 0 347.547 3.309 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C[N@@H+](C)C(C)C)cc1 ZINC001485229230 1395722646 /nfs/dbraw/zinc/72/26/46/1395722646.db2.gz HQGLMVDFHAZKOZ-DLBZAZTESA-N 2 0 333.520 3.133 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH+](C)CCC1CCCCCC1 ZINC001485340341 1395811453 /nfs/dbraw/zinc/81/14/53/1395811453.db2.gz UDMCEIZLLPPGSR-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC2(C[NH2+]CCC3CC3)CCCCC2)C1 ZINC001485455197 1395924668 /nfs/dbraw/zinc/92/46/68/1395924668.db2.gz RPSWYUCSSCMSNE-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H](C(=O)N[C@H](C)C1C[NH+](Cc2ccccc2C)C1)[NH+](CC)CC ZINC001485521631 1395995810 /nfs/dbraw/zinc/99/58/10/1395995810.db2.gz DBELPCNVCXSDQB-XLIONFOSSA-N 2 0 345.531 3.052 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001485570915 1396035361 /nfs/dbraw/zinc/03/53/61/1396035361.db2.gz VGUYCUNULQSOJE-ACBYSDGPSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001485788733 1396153809 /nfs/dbraw/zinc/15/38/09/1396153809.db2.gz ISXNKAKZJZNBOK-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CCCC[N@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001501668442 1396195119 /nfs/dbraw/zinc/19/51/19/1396195119.db2.gz BRAIOMZPEBISCI-UHFFFAOYSA-N 2 0 345.531 3.267 10 0 EGAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@@H]1CCCc2ccc(F)cc21)[NH+](C)C ZINC001503290605 1396249972 /nfs/dbraw/zinc/24/99/72/1396249972.db2.gz KNEUWRRBPFGLAV-GDIGMMSISA-N 2 0 349.494 3.028 10 0 EGAERP CC[C@H](C(=O)NCC[C@H](C)[NH2+][C@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001503290534 1396250007 /nfs/dbraw/zinc/25/00/07/1396250007.db2.gz CYVMJSZYVOMXLB-JJRVBVJISA-N 2 0 339.911 3.226 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001492092409 1396303853 /nfs/dbraw/zinc/30/38/53/1396303853.db2.gz PSXRMDKGPJRTRJ-ICSRJNTNSA-N 2 0 345.531 3.242 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001492144340 1396308805 /nfs/dbraw/zinc/30/88/05/1396308805.db2.gz VUVWRQVTJLRCBG-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@@H]1CNC(=O)CC[NH+](C)C1CCCCC1 ZINC001493126600 1396336519 /nfs/dbraw/zinc/33/65/19/1396336519.db2.gz VWFVEKBXDYYHDL-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001493140984 1396338292 /nfs/dbraw/zinc/33/82/92/1396338292.db2.gz VENCISWOUJBJSB-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493671287 1396341320 /nfs/dbraw/zinc/34/13/20/1396341320.db2.gz XUEYOFRXUWDPNR-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC1CCC(C[NH+]2CCN(C(=O)C(C)(C)[NH+]3CCCCC3)CC2)CC1 ZINC001687428754 1396370656 /nfs/dbraw/zinc/37/06/56/1396370656.db2.gz PEBPDXPYRLZIHO-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001494877577 1396505231 /nfs/dbraw/zinc/50/52/31/1396505231.db2.gz VPKOIQASQZCSLN-HXUWFJFHSA-N 2 0 347.547 3.286 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001495496260 1396538128 /nfs/dbraw/zinc/53/81/28/1396538128.db2.gz NUDWMYMJAFWTNJ-SFHVURJKSA-N 2 0 345.531 3.457 10 0 EGAERP Cc1cc(C)c(C[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)c(C)c1 ZINC001495939208 1396572704 /nfs/dbraw/zinc/57/27/04/1396572704.db2.gz DRIKCFSMTUPIDO-UHFFFAOYSA-N 2 0 345.531 3.082 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699010961 1406840315 /nfs/dbraw/zinc/84/03/15/1406840315.db2.gz IOFFTRMIIQSPSO-HNNXBMFYSA-N 2 0 339.911 3.131 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012447 1406844305 /nfs/dbraw/zinc/84/43/05/1406844305.db2.gz DSNXGDUPYRGTOI-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)CC1 ZINC001497689620 1396785327 /nfs/dbraw/zinc/78/53/27/1396785327.db2.gz AIKKIZNKTDUOJG-TUIVQVNQSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1 ZINC001497762175 1396831772 /nfs/dbraw/zinc/83/17/72/1396831772.db2.gz GATZGGZSRMBZHC-GEWVGOBGSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)[C@H](C(=O)NC/C=C\C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001497764589 1396834684 /nfs/dbraw/zinc/83/46/84/1396834684.db2.gz PIZNQRZCWXQWMN-WHXUGTBJSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001689055892 1396855800 /nfs/dbraw/zinc/85/58/00/1396855800.db2.gz MVEPAWHFAYEQGW-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1CC[NH2+]CC1CCC1 ZINC001689058636 1396860017 /nfs/dbraw/zinc/86/00/17/1396860017.db2.gz MQIJCGXMXPPYRX-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@H]1CC[NH2+]CC1CCC1 ZINC001689058635 1396860035 /nfs/dbraw/zinc/86/00/35/1396860035.db2.gz MQIJCGXMXPPYRX-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001497994031 1396907569 /nfs/dbraw/zinc/90/75/69/1396907569.db2.gz VUJAQYIDLBECAP-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001689112908 1396919882 /nfs/dbraw/zinc/91/98/82/1396919882.db2.gz YQBPQDQNSVOQER-OTWHNJEPSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCC[NH+](CC3CCCC3)[C@@H]2C1(C)C ZINC001689146797 1396947951 /nfs/dbraw/zinc/94/79/51/1396947951.db2.gz NOIZVCMWXUNTLE-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[NH2+]CCCCCCN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001689159923 1396954749 /nfs/dbraw/zinc/95/47/49/1396954749.db2.gz ZARBHCRAZBHGHX-IBGZPJMESA-N 2 0 343.531 3.216 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)[C@H]1CC ZINC001689172184 1396958544 /nfs/dbraw/zinc/95/85/44/1396958544.db2.gz BCIWNSYWEYJSIK-IPMKNSEASA-N 2 0 337.552 3.409 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699024289 1406859722 /nfs/dbraw/zinc/85/97/22/1406859722.db2.gz WWJCPVPZPAPQHO-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001689267858 1396999341 /nfs/dbraw/zinc/99/93/41/1396999341.db2.gz SCHDQCOFKKZTIZ-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001689906774 1404199920 /nfs/dbraw/zinc/19/99/20/1404199920.db2.gz UVMCCRYJLNJJKD-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)Cc1cc(C)ccc1C ZINC001689938913 1404216841 /nfs/dbraw/zinc/21/68/41/1404216841.db2.gz BDDMLESSSLSHBU-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC001690341021 1404483729 /nfs/dbraw/zinc/48/37/29/1404483729.db2.gz IRZPQLHXSCJAPG-KFWWJZLASA-N 2 0 349.906 3.122 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)C1)c1ccccc1Cl ZINC001690341022 1404484052 /nfs/dbraw/zinc/48/40/52/1404484052.db2.gz IRZPQLHXSCJAPG-SOUVJXGZSA-N 2 0 349.906 3.122 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690505406 1404618510 /nfs/dbraw/zinc/61/85/10/1404618510.db2.gz SACNHAJFBVKTIR-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH+](C)CC1CC(C)C1 ZINC001725176205 1425692636 /nfs/dbraw/zinc/69/26/36/1425692636.db2.gz XRQYVHCXYMUCET-CGZBRXJRSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001690843363 1404773023 /nfs/dbraw/zinc/77/30/23/1404773023.db2.gz WAWXYWYJTICPCL-HKUYNNGSSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](CCNC(=O)CCC[NH+]1CCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001690879531 1404792840 /nfs/dbraw/zinc/79/28/40/1404792840.db2.gz LQIQJVCFKVWCBE-YLJYHZDGSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)CCC[N@H+](C)CCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001690971114 1404878698 /nfs/dbraw/zinc/87/86/98/1404878698.db2.gz SAZZZWFASQJURW-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)c1sccc1C[NH+](C)C)CC1=CCCCC1 ZINC001691021856 1404934912 /nfs/dbraw/zinc/93/49/12/1404934912.db2.gz IRGJWRVXWUZMED-UHFFFAOYSA-N 2 0 349.544 3.362 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001725631457 1426299346 /nfs/dbraw/zinc/29/93/46/1426299346.db2.gz NZEQVXACTSBBGF-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCCC1 ZINC001691095603 1405032308 /nfs/dbraw/zinc/03/23/08/1405032308.db2.gz DCSWMDGHDMMLJO-MAEOIBBWSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691109885 1405051238 /nfs/dbraw/zinc/05/12/38/1405051238.db2.gz GWZMWVHGAMYCCO-WSTZPKSXSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001732002668 1428213653 /nfs/dbraw/zinc/21/36/53/1428213653.db2.gz NAVMNPQQMVZDKV-MRXNPFEDSA-N 2 0 348.535 3.340 10 0 EGAERP CC(C)=CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725777363 1426461674 /nfs/dbraw/zinc/46/16/74/1426461674.db2.gz VAIUIHIZBCKVHX-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691226640 1405166193 /nfs/dbraw/zinc/16/61/93/1405166193.db2.gz ZPKXPYSIMLMNMQ-FGTMMUONSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1 ZINC001691246962 1405181030 /nfs/dbraw/zinc/18/10/30/1405181030.db2.gz FNSVILZXQBWSLD-CEXWTWQISA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C(C)(C)C ZINC001725748193 1426426348 /nfs/dbraw/zinc/42/63/48/1426426348.db2.gz VLEGJDXAUNLJPW-QGZVFWFLSA-N 2 0 339.568 3.416 10 0 EGAERP CN(C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001691391651 1405228320 /nfs/dbraw/zinc/22/83/20/1405228320.db2.gz ARLBIJIUKHLUDF-IBGZPJMESA-N 2 0 347.547 3.284 10 0 EGAERP CC[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001691402669 1405240451 /nfs/dbraw/zinc/24/04/51/1405240451.db2.gz PWGPSXPWFCXVEZ-ZWKOTPCHSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1c(C)cccc1C ZINC001691496456 1405302939 /nfs/dbraw/zinc/30/29/39/1405302939.db2.gz ZOCKTRXHZDHXPJ-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)CC[NH2+]Cc1c(C)cc(C)cc1C ZINC001691622826 1405363010 /nfs/dbraw/zinc/36/30/10/1405363010.db2.gz AFWCYNPGAHJQIE-FQEVSTJZSA-N 2 0 345.531 3.034 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691690957 1405425869 /nfs/dbraw/zinc/42/58/69/1405425869.db2.gz XDOXIEYAEHXIDN-GOSISDBHSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001691692573 1405427026 /nfs/dbraw/zinc/42/70/26/1405427026.db2.gz QDTZUEKLSMBJPZ-ATBPXCTNSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)C[NH2+][C@@H](C)C1CCN(C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001691696502 1405429621 /nfs/dbraw/zinc/42/96/21/1405429621.db2.gz WLTLTSVLBHENJG-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001691726571 1405450221 /nfs/dbraw/zinc/45/02/21/1405450221.db2.gz BDIFPXZVYGDKFE-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001691818780 1405533641 /nfs/dbraw/zinc/53/36/41/1405533641.db2.gz JZIRWCPYQZLENF-CNZFZVQHSA-N 2 0 337.552 3.291 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001691819586 1405536427 /nfs/dbraw/zinc/53/64/27/1405536427.db2.gz WQAZOTLPWOHCEP-LIXSYLKWSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](C[C@H](C)CC)CC(C)(C)C1 ZINC001691823299 1405539022 /nfs/dbraw/zinc/53/90/22/1405539022.db2.gz MTTKQWYRWIWSSE-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691831230 1405545022 /nfs/dbraw/zinc/54/50/22/1405545022.db2.gz LNURPWKHTKKIPX-UFYCRDLUSA-N 2 0 349.563 3.316 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1[C@H]2CCC[NH+](CC3CCCC3)[C@H]2C1(C)C ZINC001691919914 1405649151 /nfs/dbraw/zinc/64/91/51/1405649151.db2.gz RJXPFFXTSHLJKK-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001692009984 1405728293 /nfs/dbraw/zinc/72/82/93/1405728293.db2.gz ROKGJQOTINQGKC-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001692053218 1405753512 /nfs/dbraw/zinc/75/35/12/1405753512.db2.gz ZWEPPPYOYKFVTE-WLMAVBAVSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](Cc2ccccc2)[C@@H]1CC)[NH+](CC)CC ZINC001692204608 1405842998 /nfs/dbraw/zinc/84/29/98/1405842998.db2.gz WJVBWJVWPPGKDI-XUVXKRRUSA-N 2 0 345.531 3.276 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001692322429 1405941381 /nfs/dbraw/zinc/94/13/81/1405941381.db2.gz NCAMCVSVLJSBFF-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001692349346 1405967119 /nfs/dbraw/zinc/96/71/19/1405967119.db2.gz AKOXURONQXWSPI-IAGOWNOFSA-N 2 0 349.563 3.124 10 0 EGAERP CC1CC(C[N@H+](CCNC(=O)C(C)(C)[NH+](C)C2CCCC2)C2CC2)C1 ZINC001731878285 1428145899 /nfs/dbraw/zinc/14/58/99/1428145899.db2.gz YJCRXDXQBBVIMA-UHFFFAOYSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1cc(C[N@H+]2CC[C@H](NC(=O)CC[C@H]3CCC[NH+]3C)[C@H]2C)cs1 ZINC001692368388 1405977295 /nfs/dbraw/zinc/97/72/95/1405977295.db2.gz QQHYXVWTCSMKQA-NXHRZFHOSA-N 2 0 349.544 3.010 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)[C@H]1C ZINC001692368113 1405977837 /nfs/dbraw/zinc/97/78/37/1405977837.db2.gz ICCQMUKRKYOLSX-WOMUKPCXSA-N 2 0 347.547 3.329 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(CC)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698585141 1406200473 /nfs/dbraw/zinc/20/04/73/1406200473.db2.gz KZPGXDZELZAVAL-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001698605822 1406232880 /nfs/dbraw/zinc/23/28/80/1406232880.db2.gz UBZJJSHGBZBKCV-UXHICEINSA-N 2 0 345.531 3.279 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732052405 1428293369 /nfs/dbraw/zinc/29/33/69/1428293369.db2.gz HRAJOIJQYXYWKE-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001732076501 1428327909 /nfs/dbraw/zinc/32/79/09/1428327909.db2.gz OZSAKLLYMRDGHY-GBESFXJTSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001732088343 1428350789 /nfs/dbraw/zinc/35/07/89/1428350789.db2.gz KQORDUGTHBBNPP-AATRIKPKSA-N 2 0 349.563 3.245 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccccc1C ZINC001732207906 1428457076 /nfs/dbraw/zinc/45/70/76/1428457076.db2.gz RAPKSAHXCSEKLL-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222831 1428471544 /nfs/dbraw/zinc/47/15/44/1428471544.db2.gz KWZXFRJRAYBYRE-OALUTQOASA-N 2 0 349.494 3.073 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001732234828 1428481281 /nfs/dbraw/zinc/48/12/81/1428481281.db2.gz SQKKSPJVBMDIGH-UHFFFAOYSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)=CC[NH2+]C[C@@](C)(NC(=O)C1(C[NH+](C)C)CCCCC1)C1CC1 ZINC001732246573 1428490031 /nfs/dbraw/zinc/49/00/31/1428490031.db2.gz ZAOLQICWBVQRMD-HXUWFJFHSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(CCNC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732324192 1428532939 /nfs/dbraw/zinc/53/29/39/1428532939.db2.gz BFEAXSDZVXEKEM-KRWDZBQOSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001732325479 1428534043 /nfs/dbraw/zinc/53/40/43/1428534043.db2.gz TUXFFJQHPZFRRT-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001732328695 1428535446 /nfs/dbraw/zinc/53/54/46/1428535446.db2.gz GIPHFKRHTQUTLP-ASIGSXEYSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)C[NH2+]CC1=CCCCC1 ZINC001732343825 1428542467 /nfs/dbraw/zinc/54/24/67/1428542467.db2.gz RTQZJINOOPVIPF-KRWDZBQOSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732420100 1428574028 /nfs/dbraw/zinc/57/40/28/1428574028.db2.gz SEXGAPSUYFWQNJ-ZWKOTPCHSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732420097 1428574120 /nfs/dbraw/zinc/57/41/20/1428574120.db2.gz SEXGAPSUYFWQNJ-MSOLQXFVSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001732454404 1428588929 /nfs/dbraw/zinc/58/89/29/1428588929.db2.gz GDOZBSCBFHEMQM-QGZVFWFLSA-N 2 0 345.531 3.379 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001732470439 1428599192 /nfs/dbraw/zinc/59/91/92/1428599192.db2.gz CQEUIKFNPXAEFG-RBUKOAKNSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001732474770 1428601574 /nfs/dbraw/zinc/60/15/74/1428601574.db2.gz WAHFMFZSOXYFKH-UXHICEINSA-N 2 0 349.563 3.029 10 0 EGAERP CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001732505930 1428625871 /nfs/dbraw/zinc/62/58/71/1428625871.db2.gz FAFRUHSPOLHMPT-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccc(F)cc1 ZINC001732514458 1428633988 /nfs/dbraw/zinc/63/39/88/1428633988.db2.gz MEPBFHRKYSAUPH-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CCc1ccc(C[NH2+]CCN(CC)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001699196537 1412566913 /nfs/dbraw/zinc/56/69/13/1412566913.db2.gz BELGHQHWFSNDRQ-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]1CCCCC1)c1ccccc1 ZINC001699257032 1412600802 /nfs/dbraw/zinc/60/08/02/1412600802.db2.gz JOIUIKAPBDIFAH-GIFJBRJJSA-N 2 0 343.515 3.274 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C1(C[NH+](C)C)CC1)c1ccccc1Cl ZINC001699294642 1412620441 /nfs/dbraw/zinc/62/04/41/1412620441.db2.gz BNLMEPQCKXEWDP-IDTUSYRASA-N 2 0 349.906 3.005 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C\C[NH2+]CC2CCC(C)CC2)C1 ZINC001699302081 1412625560 /nfs/dbraw/zinc/62/55/60/1412625560.db2.gz LGASPOCFEHNSPH-PSTGNYPNSA-N 2 0 349.563 3.197 10 0 EGAERP C[C@H](C(=O)NC/C=C/C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001699312973 1412632829 /nfs/dbraw/zinc/63/28/29/1412632829.db2.gz BBRHVCAMQIVGPY-LKGOPFMKSA-N 2 0 333.520 3.013 10 0 EGAERP Cc1ccc(C)c(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)c1 ZINC001699451852 1412791844 /nfs/dbraw/zinc/79/18/44/1412791844.db2.gz AOVTWUPCLMMQMW-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1cccc(C[N@@H+](C)C[C@@H](C)NC(=O)[C@H]2CCCC[NH+]2C(C)C)c1 ZINC001699464580 1412827342 /nfs/dbraw/zinc/82/73/42/1412827342.db2.gz SIZBVZYNIGMCFY-UYAOXDASSA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[N@H+](C)CC1=CCCCC1)[NH+]1CCCC1 ZINC001699474942 1412866479 /nfs/dbraw/zinc/86/64/79/1412866479.db2.gz YQWXKOJNRZDTTM-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@H](C)c1cccc(Cl)c1 ZINC001699474911 1412866649 /nfs/dbraw/zinc/86/66/49/1412866649.db2.gz YDZRCDCPEWKRRO-LSDHHAIUSA-N 2 0 339.911 3.178 10 0 EGAERP CN(CCC[NH2+][C@@H]1CCc2ccccc21)C(=O)C[N@H+](C)CC(C)(C)C ZINC001699533197 1412908942 /nfs/dbraw/zinc/90/89/42/1412908942.db2.gz FMWQHCGSJLDCEM-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001699700251 1413112431 /nfs/dbraw/zinc/11/24/31/1413112431.db2.gz NJCXOZCWFNVWIT-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001732543419 1428702312 /nfs/dbraw/zinc/70/23/12/1428702312.db2.gz KUWSSAMGAVDMFB-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001699704778 1413119962 /nfs/dbraw/zinc/11/99/62/1413119962.db2.gz VYGOKPGYQPVDIK-FQEVSTJZSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001699752777 1413159974 /nfs/dbraw/zinc/15/99/74/1413159974.db2.gz GCZIELHXUCXNLE-FPMVPNIMSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001699771256 1413177785 /nfs/dbraw/zinc/17/77/85/1413177785.db2.gz UNFMXVDRBPJTJO-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001699788167 1413193520 /nfs/dbraw/zinc/19/35/20/1413193520.db2.gz BHGATVNQHITNIX-UXHICEINSA-N 2 0 339.483 3.089 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)c1ccc2c[nH+]cn2c1C)C1CCCC1 ZINC001699794406 1413202619 /nfs/dbraw/zinc/20/26/19/1413202619.db2.gz BTOCPGGFUMCXKI-LJQANCHMSA-N 2 0 342.487 3.321 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001699804736 1413217172 /nfs/dbraw/zinc/21/71/72/1413217172.db2.gz DWQNFXPGROFMTA-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699819014 1413238439 /nfs/dbraw/zinc/23/84/39/1413238439.db2.gz QBQZRHWOKJLVEY-KKHYBRAUSA-N 2 0 340.471 3.193 10 0 EGAERP CC(C)CCC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001699848499 1413278002 /nfs/dbraw/zinc/27/80/02/1413278002.db2.gz PYWULMIWRVYOEY-HXUWFJFHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)NCC1(C)CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001699864059 1413299953 /nfs/dbraw/zinc/29/99/53/1413299953.db2.gz IBOATJVEYDYZPC-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001699876459 1413335074 /nfs/dbraw/zinc/33/50/74/1413335074.db2.gz YLACKDUFMSLEHK-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@](C)(CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001699879382 1413343499 /nfs/dbraw/zinc/34/34/99/1413343499.db2.gz NKNKAPGMJHMMPI-OAQYLSRUSA-N 2 0 345.531 3.054 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]C(C)C ZINC001699934749 1413377569 /nfs/dbraw/zinc/37/75/69/1413377569.db2.gz PGSCETYVODJHNE-SLFFLAALSA-N 2 0 345.531 3.135 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001699978714 1413423320 /nfs/dbraw/zinc/42/33/20/1413423320.db2.gz HXTFBJWHEHPYGX-WTGUMLROSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001699980300 1413425284 /nfs/dbraw/zinc/42/52/84/1413425284.db2.gz ZEUYURZLZNBVFZ-WGSAOQKQSA-N 2 0 349.563 3.031 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCC(C)(C)CC2)C1 ZINC001700053373 1413474875 /nfs/dbraw/zinc/47/48/75/1413474875.db2.gz LMQVIBVZHVTMNE-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CCF)cc1)[NH+]1CCCC1 ZINC001700100530 1413517641 /nfs/dbraw/zinc/51/76/41/1413517641.db2.gz VRTGSFQWEUDONA-VQIMIIECSA-N 2 0 349.494 3.043 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCC1 ZINC001700142136 1413563390 /nfs/dbraw/zinc/56/33/90/1413563390.db2.gz POBDJTGZYFWGAP-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700220897 1413667016 /nfs/dbraw/zinc/66/70/16/1413667016.db2.gz WQVJFTOLYGEHMX-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001700230700 1413688840 /nfs/dbraw/zinc/68/88/40/1413688840.db2.gz UOQWUMSKSYSRTJ-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001700286300 1413733793 /nfs/dbraw/zinc/73/37/93/1413733793.db2.gz IURMTENGKSIJOG-DLBZAZTESA-N 2 0 346.519 3.139 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001700293668 1413750767 /nfs/dbraw/zinc/75/07/67/1413750767.db2.gz HUFNYYQXTDGRJJ-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001700362958 1413879579 /nfs/dbraw/zinc/87/95/79/1413879579.db2.gz NKEAROQILZAILJ-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001700364451 1413885114 /nfs/dbraw/zinc/88/51/14/1413885114.db2.gz LESMJFWYAAMKLC-HXUWFJFHSA-N 2 0 345.531 3.475 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H](c1ccccc1)[NH+](C)CC ZINC001700366118 1413891471 /nfs/dbraw/zinc/89/14/71/1413891471.db2.gz ZYIQEKAPDMGFPK-MOPGFXCFSA-N 2 0 331.504 3.012 10 0 EGAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001700379290 1413906296 /nfs/dbraw/zinc/90/62/96/1413906296.db2.gz SFNNVFMEUQZQQY-IVMQYODDSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H]([NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C)c1ccc(F)cc1 ZINC001732571209 1428766743 /nfs/dbraw/zinc/76/67/43/1428766743.db2.gz ZIZYSJZRWRSWBJ-RBUKOAKNSA-N 2 0 349.494 3.103 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001700414806 1413958081 /nfs/dbraw/zinc/95/80/81/1413958081.db2.gz BVIMFCZDGAZLMN-IRXDYDNUSA-N 2 0 339.568 3.418 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](C)[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001700418303 1413965433 /nfs/dbraw/zinc/96/54/33/1413965433.db2.gz ROFLHEGPEDBUOP-QZTJIDSGSA-N 2 0 345.531 3.018 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700485796 1414131619 /nfs/dbraw/zinc/13/16/19/1414131619.db2.gz ANHWSEGJVOGSEZ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1C[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700575753 1414249855 /nfs/dbraw/zinc/24/98/55/1414249855.db2.gz YVRZTEUFPSJAIN-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001700630751 1414299984 /nfs/dbraw/zinc/29/99/84/1414299984.db2.gz BQHNFRLBHPUKEF-JZANDJSESA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)c1cccc(F)c1 ZINC001700684854 1414337950 /nfs/dbraw/zinc/33/79/50/1414337950.db2.gz SZQCYVJSLQZMAE-JKSUJKDBSA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)[NH2+]CCC[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001700709915 1414364790 /nfs/dbraw/zinc/36/47/90/1414364790.db2.gz YVHIZMCDTYOZSQ-OALUTQOASA-N 2 0 331.504 3.106 10 0 EGAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001700725236 1414386473 /nfs/dbraw/zinc/38/64/73/1414386473.db2.gz SJIDYJSVUNOTGM-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001700850013 1414498512 /nfs/dbraw/zinc/49/85/12/1414498512.db2.gz BIRCQXQHOZOPCZ-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001700867601 1414520079 /nfs/dbraw/zinc/52/00/79/1414520079.db2.gz SIYYRRJXKFOSRS-WIYYLYMNSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@@H]1C ZINC001700880967 1414537017 /nfs/dbraw/zinc/53/70/17/1414537017.db2.gz NRSIAOBDXGFICD-ZWKOTPCHSA-N 2 0 337.552 3.410 10 0 EGAERP CN(CC[N@H+](C)[C@@H]1CCc2ccccc21)C(=O)C[NH+](C)CC(C)(C)C ZINC001732592774 1428819147 /nfs/dbraw/zinc/81/91/47/1428819147.db2.gz OQKZVQNTZNSYKU-LJQANCHMSA-N 2 0 345.531 3.042 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1(C)C ZINC001700922692 1414575150 /nfs/dbraw/zinc/57/51/50/1414575150.db2.gz DDESRFBGKBJCHH-MSOLQXFVSA-N 2 0 335.536 3.042 10 0 EGAERP CCCC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C(C)C ZINC001700976318 1414612479 /nfs/dbraw/zinc/61/24/79/1414612479.db2.gz OTCGAQBHCYGWRS-MSOLQXFVSA-N 2 0 325.541 3.076 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CC2CCCCCC2)C1 ZINC001701019540 1414679908 /nfs/dbraw/zinc/67/99/08/1414679908.db2.gz KBORFPQPOYGVNG-GPJFCIFZSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C2CC[NH+](CC3CCCCC3)CC2)CC1 ZINC001701032925 1414697065 /nfs/dbraw/zinc/69/70/65/1414697065.db2.gz RKMBELVXCIKEOJ-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1cccc(F)c1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001732806610 1428984768 /nfs/dbraw/zinc/98/47/68/1428984768.db2.gz HJZXQCGPQWZFNV-AWEZNQCLSA-N 2 0 346.450 3.026 10 0 EGAERP CCN(CC[NH2+]CC1=CCCCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001732806546 1428984927 /nfs/dbraw/zinc/98/49/27/1428984927.db2.gz GTGQENMYBUKULW-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C/C[NH2+]CC1CCCC1 ZINC001732869792 1429019983 /nfs/dbraw/zinc/01/99/83/1429019983.db2.gz IWJAOZNIMIRAIU-CMDGGOBGSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732953311 1429076918 /nfs/dbraw/zinc/07/69/18/1429076918.db2.gz BMNRFVLNTXRLOO-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)CCC[NH+]1CCCCC1 ZINC001733024268 1429143405 /nfs/dbraw/zinc/14/34/05/1429143405.db2.gz MNAKKNOLNVTQBS-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1C[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001707089722 1417196105 /nfs/dbraw/zinc/19/61/05/1417196105.db2.gz NYQWAQCWHOWWBB-UAPYVXQJSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001707203698 1417243886 /nfs/dbraw/zinc/24/38/86/1417243886.db2.gz MFHBWGVLNSPZGR-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCCC1 ZINC001707278987 1417286585 /nfs/dbraw/zinc/28/65/85/1417286585.db2.gz UDTJLUPQWVEXQY-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001707374390 1417299776 /nfs/dbraw/zinc/29/97/76/1417299776.db2.gz HUGVDOLMENFAHS-SLFFLAALSA-N 2 0 345.531 3.306 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCCC1CCCC1 ZINC001707407042 1417320001 /nfs/dbraw/zinc/32/00/01/1417320001.db2.gz MMHHYFQYDZFXLW-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707447306 1417351198 /nfs/dbraw/zinc/35/11/98/1417351198.db2.gz QJCNXKXTKRAAKS-WYNBNGFRSA-N 2 0 347.547 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1=CCCCC1 ZINC001707454850 1417356899 /nfs/dbraw/zinc/35/68/99/1417356899.db2.gz DFMSZWOURMKXTD-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1 ZINC001712950272 1417509129 /nfs/dbraw/zinc/50/91/29/1417509129.db2.gz GSRIOQULJJGFTQ-PKOBYXMFSA-N 2 0 331.504 3.060 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(N(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001713057543 1417612251 /nfs/dbraw/zinc/61/22/51/1417612251.db2.gz RAYAIOJZJHRNER-VOTSOKGWSA-N 2 0 349.563 3.388 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@@H]1CC12CC[NH+](CC1CCCC1)CC2 ZINC001713098495 1417648795 /nfs/dbraw/zinc/64/87/95/1417648795.db2.gz PADZKRWMJGXBNB-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001713100399 1417652101 /nfs/dbraw/zinc/65/21/01/1417652101.db2.gz ZETJWNRHNOTPMO-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CCCN(C(=O)CCc1c[nH]cn1)C1CC[NH+](CCC(C)C)CC1 ZINC001713101442 1417654405 /nfs/dbraw/zinc/65/44/05/1417654405.db2.gz TWOLXQYMAZNLDR-UHFFFAOYSA-N 2 0 334.508 3.091 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21)C1CC[NH+](CCC)CC1 ZINC001713102167 1417656889 /nfs/dbraw/zinc/65/68/89/1417656889.db2.gz OFJDCKDEPKIEBX-PKOBYXMFSA-N 2 0 335.536 3.116 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713133266 1417709533 /nfs/dbraw/zinc/70/95/33/1417709533.db2.gz QBBYXUNPGFUJCI-ROUUACIJSA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H](C[NH+](C)C(C)C)C1)c1ccccc1 ZINC001713136000 1417716621 /nfs/dbraw/zinc/71/66/21/1417716621.db2.gz VSISLZJVFUKLRF-AZUAARDMSA-N 2 0 345.531 3.258 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713169954 1417743475 /nfs/dbraw/zinc/74/34/75/1417743475.db2.gz PHZSIQRPHVFUOP-NEPBSLMDSA-N 2 0 335.536 3.233 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001713175690 1417749156 /nfs/dbraw/zinc/74/91/56/1417749156.db2.gz LROHMTFUFFULSK-UFYCRDLUSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001713203187 1417773991 /nfs/dbraw/zinc/77/39/91/1417773991.db2.gz CIRNVYRJWXHJHZ-XDNAFOTISA-N 2 0 335.536 3.066 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](CCCC(C)C)C1 ZINC001713215642 1417790091 /nfs/dbraw/zinc/79/00/91/1417790091.db2.gz PKFOFEVKGZXBDH-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2cccc(F)c2)C1 ZINC001713224624 1417813256 /nfs/dbraw/zinc/81/32/56/1417813256.db2.gz YUVVECXWCTYVBR-IAGOWNOFSA-N 2 0 349.494 3.055 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1)C1CCC1 ZINC001713233024 1417819881 /nfs/dbraw/zinc/81/98/81/1417819881.db2.gz JQMOAULONMTVNN-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001713269150 1417878550 /nfs/dbraw/zinc/87/85/50/1417878550.db2.gz WZLPVNBNCVWMEB-XHHZUUQWSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2CCC([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001713291092 1417918044 /nfs/dbraw/zinc/91/80/44/1417918044.db2.gz CMECHAUZGNICOL-WWDZGPRUSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1 ZINC001713320453 1417945152 /nfs/dbraw/zinc/94/51/52/1417945152.db2.gz ACPNPPCTOZJIQC-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001713331234 1417955168 /nfs/dbraw/zinc/95/51/68/1417955168.db2.gz JPEKAAJKRPOKLX-XLIONFOSSA-N 2 0 343.515 3.078 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713349636 1417968582 /nfs/dbraw/zinc/96/85/82/1417968582.db2.gz IYUYMNJIZUGESI-ZMBJWTFHSA-N 2 0 349.563 3.293 10 0 EGAERP C[C@H](C(=O)N1CC[C@@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001713356587 1417973130 /nfs/dbraw/zinc/97/31/30/1417973130.db2.gz GWXSSWOBFWEOPK-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001713378572 1417988566 /nfs/dbraw/zinc/98/85/66/1417988566.db2.gz HEDUHTZYFPGIJX-OALUTQOASA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2ccccc2C2CC2)C1 ZINC001713378571 1417988687 /nfs/dbraw/zinc/98/86/87/1417988687.db2.gz HEDUHTZYFPGIJX-MOPGFXCFSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713382708 1417993162 /nfs/dbraw/zinc/99/31/62/1417993162.db2.gz SRFPORBULFOJHN-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([N@H+](C)CCC2=CCCCC2)C1 ZINC001713395400 1418011721 /nfs/dbraw/zinc/01/17/21/1418011721.db2.gz HWPBNVITDPARBD-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCCCCC1 ZINC001713410916 1418033739 /nfs/dbraw/zinc/03/37/39/1418033739.db2.gz QRCIWSZPQIMZOT-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001733079625 1429233574 /nfs/dbraw/zinc/23/35/74/1429233574.db2.gz OCALNVOPYVFNIF-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCCC1)CC1CC(C)(C)C1 ZINC001713484533 1418177273 /nfs/dbraw/zinc/17/72/73/1418177273.db2.gz LFKKRCBCOXPNRO-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CCC[NH2+]CC1CCC2(CC2)CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001733104890 1429243974 /nfs/dbraw/zinc/24/39/74/1429243974.db2.gz JBRJTOXGLWSBAQ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001713515544 1418251195 /nfs/dbraw/zinc/25/11/95/1418251195.db2.gz WVJQCLAXDDTGFN-OALUTQOASA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CCCC1 ZINC001713549721 1418327593 /nfs/dbraw/zinc/32/75/93/1418327593.db2.gz AUBONBBVKPGAJP-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001713710487 1418470180 /nfs/dbraw/zinc/47/01/80/1418470180.db2.gz MNXSZJJHSRBVSH-BGYRXZFFSA-N 2 0 345.531 3.038 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[N@H+](CCC2CCCCC2)C2CC2)CC1 ZINC001713771307 1418586695 /nfs/dbraw/zinc/58/66/95/1418586695.db2.gz URPUWTMDXZHNBX-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C(=O)NCCC[N@H+](CC1CCC1)C1CC1)[NH+]1CCCCCC1 ZINC001713773264 1418588391 /nfs/dbraw/zinc/58/83/91/1418588391.db2.gz PJZKYCNDZOXCBV-QGZVFWFLSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001713775490 1418591019 /nfs/dbraw/zinc/59/10/19/1418591019.db2.gz LEQWABURKXZRAV-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001713794420 1418614033 /nfs/dbraw/zinc/61/40/33/1418614033.db2.gz SLJMFKKYDFLPCV-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001713866766 1418663820 /nfs/dbraw/zinc/66/38/20/1418663820.db2.gz UKYKGXJHNOQYHM-XUVXKRRUSA-N 2 0 347.547 3.092 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713906924 1418704004 /nfs/dbraw/zinc/70/40/04/1418704004.db2.gz KRMUNYQTFQUCAF-WOQGQJNTSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713948558 1418733231 /nfs/dbraw/zinc/73/32/31/1418733231.db2.gz QMPUARXHQFHVLE-FHWLQOOXSA-N 2 0 335.536 3.066 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713953230 1418736647 /nfs/dbraw/zinc/73/66/47/1418736647.db2.gz YBGPFJLQZFICCQ-BUDVYKPWSA-N 2 0 340.471 3.240 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713981379 1418761322 /nfs/dbraw/zinc/76/13/22/1418761322.db2.gz HHWNVKVSKPCWES-PWBPZBFBSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713988682 1418765832 /nfs/dbraw/zinc/76/58/32/1418765832.db2.gz FPBPWVYCMZKNFH-DTNUNXPHSA-N 2 0 347.547 3.377 10 0 EGAERP CCN(C(=O)[C@H]1C[NH+]2CCC1CC2)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001714040283 1418830163 /nfs/dbraw/zinc/83/01/63/1418830163.db2.gz VUJBZHHCLSNHBV-MOPGFXCFSA-N 2 0 349.563 3.077 10 0 EGAERP CC1CCC(C[NH2+]C[C@H](NC(=O)CC2CC[NH+](C)CC2)C2CC2)CC1 ZINC001733185740 1429287421 /nfs/dbraw/zinc/28/74/21/1429287421.db2.gz RNVGCLBBTQMIDS-NLPFYKDJSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1 ZINC001714064689 1418861141 /nfs/dbraw/zinc/86/11/41/1418861141.db2.gz MZBQFDJCKBYASK-INIZCTEOSA-N 2 0 349.544 3.052 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@@H](CC)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001714100202 1418896376 /nfs/dbraw/zinc/89/63/76/1418896376.db2.gz WMIUVFLKNQSIQU-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CCc1ccc(C[NH2+][C@H](CC)CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001714125399 1418930263 /nfs/dbraw/zinc/93/02/63/1418930263.db2.gz VDSMZQAESLUZSD-WOJBJXKFSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCCC1CCC1)NC(=O)C[NH+]1CCCC1 ZINC001714185417 1418992596 /nfs/dbraw/zinc/99/25/96/1418992596.db2.gz HSAHIBXIVJXQFV-WIYYLYMNSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+]2CCCCC2)CC[C@H]1[NH2+]CC=C(C)C ZINC001733202633 1429307788 /nfs/dbraw/zinc/30/77/88/1429307788.db2.gz WLKWLMUWIUEYKD-WOJBJXKFSA-N 2 0 349.563 3.435 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H](C)[NH2+]Cc1ccsc1)c1ccccc1 ZINC001714291796 1419070137 /nfs/dbraw/zinc/07/01/37/1419070137.db2.gz SDIKVSOBCOXPFW-YJBOKZPZSA-N 2 0 345.512 3.035 10 0 EGAERP C[NH+](C)CC1(C(=O)NCCC2CC[NH+](CC3=CCCCC3)CC2)CC1 ZINC001714328572 1419107683 /nfs/dbraw/zinc/10/76/83/1419107683.db2.gz GZGGOEOXKPCSJW-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001714390567 1419139011 /nfs/dbraw/zinc/13/90/11/1419139011.db2.gz GQMSLZNARDFSNL-NZSAHSFTSA-N 2 0 337.552 3.029 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714409768 1419149604 /nfs/dbraw/zinc/14/96/04/1419149604.db2.gz BYCWVWAGIUKBJR-RBUKOAKNSA-N 2 0 331.504 3.179 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714418893 1419155579 /nfs/dbraw/zinc/15/55/79/1419155579.db2.gz HMWWWWXCVSVNLO-SJLPKXTDSA-N 2 0 345.531 3.272 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001714434652 1419167409 /nfs/dbraw/zinc/16/74/09/1419167409.db2.gz CTQUOXAYXYTCFL-MSOLQXFVSA-N 2 0 337.552 3.218 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001714439389 1419171205 /nfs/dbraw/zinc/17/12/05/1419171205.db2.gz QTUDBEMRSOGMEV-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714439738 1419171904 /nfs/dbraw/zinc/17/19/04/1419171904.db2.gz YEIBVFSZVXJSOA-VQTJNVASSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([NH+](C)CC2CC(C)(C)C2)C1 ZINC001714454544 1419187024 /nfs/dbraw/zinc/18/70/24/1419187024.db2.gz PJAWGHFXYLUYSH-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC2([NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001714509701 1419236976 /nfs/dbraw/zinc/23/69/76/1419236976.db2.gz NKTBHGCVTNAROA-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)(C(=O)NCCC[C@H]1CCC[N@@H+]1CC1CCC1)[NH+]1CCCCC1 ZINC001714516664 1419243071 /nfs/dbraw/zinc/24/30/71/1419243071.db2.gz HBMHNHGOACQLDN-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)c1ccc(C[NH+](C)CCNC(=O)[C@H]2CCC[N@H+]2C(C)C)cc1 ZINC001714542503 1419268112 /nfs/dbraw/zinc/26/81/12/1419268112.db2.gz IXMBEDASOJERAC-HXUWFJFHSA-N 2 0 345.531 3.231 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC1CCCCCC1 ZINC001714563348 1419291375 /nfs/dbraw/zinc/29/13/75/1419291375.db2.gz FVAAPBVKMIUMBR-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001714605500 1419363983 /nfs/dbraw/zinc/36/39/83/1419363983.db2.gz GGODEDZSBNFUJM-KRWDZBQOSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cc(C)c(C[NH+]2CCC[C@H]2CNC(=O)C[N@@H+](C)C(C)C)c(C)c1 ZINC001714624118 1419393727 /nfs/dbraw/zinc/39/37/27/1419393727.db2.gz OPKPGBJXHLHZLC-IBGZPJMESA-N 2 0 345.531 3.033 10 0 EGAERP C[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCCCC1 ZINC001714648582 1419425014 /nfs/dbraw/zinc/42/50/14/1419425014.db2.gz TURAHMDZNDMQND-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]CCN(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714723163 1419484132 /nfs/dbraw/zinc/48/41/32/1419484132.db2.gz LOVALHYLKKEZIS-MOPGFXCFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@H](C)C[NH2+]CCC2CCCC2)CC1 ZINC001714803195 1419516876 /nfs/dbraw/zinc/51/68/76/1419516876.db2.gz TWPMBOYYOUIOMY-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@H](C)C1CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001714810784 1419521798 /nfs/dbraw/zinc/52/17/98/1419521798.db2.gz DOLSHJXJPFBHTO-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001714821042 1419531274 /nfs/dbraw/zinc/53/12/74/1419531274.db2.gz RLJUHYPOHBMJMS-BUPXIBQPSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001714841601 1419553870 /nfs/dbraw/zinc/55/38/70/1419553870.db2.gz QUYWEOWHFQXIGK-FQEVSTJZSA-N 2 0 345.531 3.354 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001714862531 1419586040 /nfs/dbraw/zinc/58/60/40/1419586040.db2.gz BOQWUTFKMJQBCF-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001714862528 1419586100 /nfs/dbraw/zinc/58/61/00/1419586100.db2.gz BOQWUTFKMJQBCF-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@@H+]([C@H](C)c2ccccc2F)C1 ZINC001714866729 1419594188 /nfs/dbraw/zinc/59/41/88/1419594188.db2.gz ATZHNMBZRPAFBV-SJORKVTESA-N 2 0 349.494 3.151 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001714867332 1419595008 /nfs/dbraw/zinc/59/50/08/1419595008.db2.gz NUVWZPJWMIILHR-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001714912386 1419660323 /nfs/dbraw/zinc/66/03/23/1419660323.db2.gz LTPXLVGZPQXJIJ-UHFFFAOYSA-N 2 0 339.568 3.325 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CCCCC1 ZINC001714974281 1419709325 /nfs/dbraw/zinc/70/93/25/1419709325.db2.gz IDYKCASTYUCZEB-QUCCMNQESA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1C[NH+](CCC2CCCCCC2)C1 ZINC001714982756 1419716915 /nfs/dbraw/zinc/71/69/15/1419716915.db2.gz UNYYHAYOMDQGAS-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001715051637 1419793027 /nfs/dbraw/zinc/79/30/27/1419793027.db2.gz KMNKZKMORAEOOX-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1CCCCC1 ZINC001715085343 1419823781 /nfs/dbraw/zinc/82/37/81/1419823781.db2.gz QGAWLNSBDQGABN-LJQANCHMSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C[C@H]1C ZINC001715094496 1419835200 /nfs/dbraw/zinc/83/52/00/1419835200.db2.gz PMZAPCYKRZLJMN-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@](C)(C[NH2+]CCCC(C)(C)C)C2CC2)CC[N@@H+]1C ZINC001715108574 1419850723 /nfs/dbraw/zinc/85/07/23/1419850723.db2.gz HMHFOVXIYOIEPF-MDYRTPRTSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]1(C[NH2+]CC2=CCCCC2)CCCC[C@H]1C ZINC001715142578 1419889593 /nfs/dbraw/zinc/88/95/93/1419889593.db2.gz JPBRGKXDHYOXCU-WIYYLYMNSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC2CC2)C1 ZINC001715146304 1419891755 /nfs/dbraw/zinc/89/17/55/1419891755.db2.gz NUSTUCSPOSNHHU-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001715210265 1419943075 /nfs/dbraw/zinc/94/30/75/1419943075.db2.gz LDUCDVKQPMZDON-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001715342637 1420045283 /nfs/dbraw/zinc/04/52/83/1420045283.db2.gz ZXWOTFUMLRCRKE-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(F)cc1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715364656 1420061828 /nfs/dbraw/zinc/06/18/28/1420061828.db2.gz DAEIJDHHKWQDLW-IRXDYDNUSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@H]1CCCc2ccccc21)NC(=O)CC[NH+](C)C ZINC001715388853 1420085611 /nfs/dbraw/zinc/08/56/11/1420085611.db2.gz IBXZIRNKWSXLNO-ICSRJNTNSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]2CCC[N@@H+]2C)c1 ZINC001715391102 1420087769 /nfs/dbraw/zinc/08/77/69/1420087769.db2.gz UGAUSUYRJRZKOS-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C[C@H]1C ZINC001715421762 1420113832 /nfs/dbraw/zinc/11/38/32/1420113832.db2.gz XDQBUJHJMJUDCD-XLIONFOSSA-N 2 0 345.531 3.031 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001715451408 1420134048 /nfs/dbraw/zinc/13/40/48/1420134048.db2.gz YDOZDRNAULTJBR-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001715464167 1420143477 /nfs/dbraw/zinc/14/34/77/1420143477.db2.gz VIYKSGRVVXKEPL-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715478665 1420157215 /nfs/dbraw/zinc/15/72/15/1420157215.db2.gz UEJOGVCFKWXUOE-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[NH+](C)C2)CC1 ZINC001715496970 1420178278 /nfs/dbraw/zinc/17/82/78/1420178278.db2.gz BDPVYWIHWNKZDP-HCZHMGAMSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCCC1 ZINC001715501213 1420183894 /nfs/dbraw/zinc/18/38/94/1420183894.db2.gz ASUGPKNRPXLJFK-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccc2ccccc2c1)C(=O)CC[NH+](C)C ZINC001715756978 1420327905 /nfs/dbraw/zinc/32/79/05/1420327905.db2.gz XJSSMCNPWPOQCJ-KRWDZBQOSA-N 2 0 341.499 3.291 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C/CNC(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001715830400 1420360041 /nfs/dbraw/zinc/36/00/41/1420360041.db2.gz YIEDSUURRHLPRM-BJUCQYRTSA-N 2 0 343.515 3.192 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCN(C)C(=O)CC[C@@H]1CCC[NH+]1C ZINC001715860430 1420371130 /nfs/dbraw/zinc/37/11/30/1420371130.db2.gz VRNHQIFSBGJYPA-MOPGFXCFSA-N 2 0 345.531 3.321 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001715916495 1420395430 /nfs/dbraw/zinc/39/54/30/1420395430.db2.gz YDEZQMYAZLTAER-CWIOURORSA-N 2 0 347.478 3.025 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001715952703 1420419426 /nfs/dbraw/zinc/41/94/26/1420419426.db2.gz WISXUVOMSHSUIO-HZPDHXFCSA-N 2 0 342.487 3.006 10 0 EGAERP Cc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001716029133 1420487452 /nfs/dbraw/zinc/48/74/52/1420487452.db2.gz DWDLMIFAEAXCMV-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@H](C)NC(=O)C[NH+]1CC[C@@H](C)C1 ZINC001716045628 1420509023 /nfs/dbraw/zinc/50/90/23/1420509023.db2.gz RGKZYSVZVRBDEP-MSOLQXFVSA-N 2 0 345.531 3.088 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716064390 1420523500 /nfs/dbraw/zinc/52/35/00/1420523500.db2.gz ZJUWJHQRGYGLOF-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001716140794 1420539432 /nfs/dbraw/zinc/53/94/32/1420539432.db2.gz BZYBVPCBWMQCRL-JFIYKMOQSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716183570 1420555720 /nfs/dbraw/zinc/55/57/20/1420555720.db2.gz FSTCJYWHORBMBM-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)CC[NH2+]CC1CCC(C)(C)CC1 ZINC001716198542 1420563053 /nfs/dbraw/zinc/56/30/53/1420563053.db2.gz PDZAHQSWIKQKEN-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001716278220 1420591363 /nfs/dbraw/zinc/59/13/63/1420591363.db2.gz YLXOEQBFEGWLTG-LKFCSYKXSA-N 2 0 349.563 3.195 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1cccc(F)c1 ZINC001716378207 1420624170 /nfs/dbraw/zinc/62/41/70/1420624170.db2.gz HCJJOMNWSCWEKK-FOVLHFFESA-N 2 0 347.478 3.023 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001716455219 1420669991 /nfs/dbraw/zinc/66/99/91/1420669991.db2.gz SVSVCFGLWSNQIR-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP CN(CCC[NH2+]Cc1ccc(C(C)(C)C)cc1)C(=O)C[NH+]1CCCC1 ZINC001716585778 1420769067 /nfs/dbraw/zinc/76/90/67/1420769067.db2.gz SUJYLLXJOCJMFN-UHFFFAOYSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1)[NH+]1CCCC1 ZINC001716632227 1420791677 /nfs/dbraw/zinc/79/16/77/1420791677.db2.gz WZJAMAUNGTXDDL-RBUKOAKNSA-N 2 0 349.563 3.027 10 0 EGAERP CC[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccc(C(C)C)cc2)CC1)[NH+](C)C ZINC001716685915 1420839322 /nfs/dbraw/zinc/83/93/22/1420839322.db2.gz QVCHTFKIHHCMHK-QFBILLFUSA-N 2 0 345.531 3.450 10 0 EGAERP CC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H](CC)[NH+](C)C ZINC001716708532 1420862364 /nfs/dbraw/zinc/86/23/64/1420862364.db2.gz JFXXLNWSQYTZAZ-LNJQLCTBSA-N 2 0 335.536 3.185 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001716787202 1420922361 /nfs/dbraw/zinc/92/23/61/1420922361.db2.gz PQWIHKAAFAKJSU-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+]2CCC(C)(NC(=O)CC[NH+](C)C)CC2)c1 ZINC001716797122 1420930017 /nfs/dbraw/zinc/93/00/17/1420930017.db2.gz POKJYUJQDGAIMF-SFHVURJKSA-N 2 0 345.531 3.287 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716867723 1420996073 /nfs/dbraw/zinc/99/60/73/1420996073.db2.gz WARDIHHYWMDFBA-BBIZLLLXSA-N 2 0 347.547 3.047 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C2CC[NH+](CC3CCC3)CC2)C1 ZINC001716952606 1421048260 /nfs/dbraw/zinc/04/82/60/1421048260.db2.gz IMMWHMKZULJAJC-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC)c2ccccc2CC)C1 ZINC001716953847 1421049635 /nfs/dbraw/zinc/04/96/35/1421049635.db2.gz JLDXWQSBDJHXLW-UYAOXDASSA-N 2 0 345.531 3.138 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001716973490 1421058276 /nfs/dbraw/zinc/05/82/76/1421058276.db2.gz NOJSFOHQJIITPE-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716974190 1421058406 /nfs/dbraw/zinc/05/84/06/1421058406.db2.gz XDCILKVHHJSHGA-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004360 1421073441 /nfs/dbraw/zinc/07/34/41/1421073441.db2.gz IEBLFANEQUQQFI-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001717084690 1421103773 /nfs/dbraw/zinc/10/37/73/1421103773.db2.gz UIZLJPUDAVWXQF-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCC3)C2)CC1 ZINC001717103859 1421111518 /nfs/dbraw/zinc/11/15/18/1421111518.db2.gz LZGVRCYBXPEYSV-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C(=O)NCc1cccc2c1CC[N@@H+](C(C)C)C2)[NH+](CC)CC ZINC001717143837 1421137091 /nfs/dbraw/zinc/13/70/91/1421137091.db2.gz YPNJPBUTOWHIPD-HXUWFJFHSA-N 2 0 345.531 3.190 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001717159556 1421149338 /nfs/dbraw/zinc/14/93/38/1421149338.db2.gz KHIUBSCJDGEXHY-ZWKOTPCHSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1([NH2+]CCC2CCCCCC2)CCC1 ZINC001717162818 1421153136 /nfs/dbraw/zinc/15/31/36/1421153136.db2.gz JGYVDMOHNXGYII-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001717209205 1421181279 /nfs/dbraw/zinc/18/12/79/1421181279.db2.gz RNHYNTCQGOZOSU-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC001717237476 1421205491 /nfs/dbraw/zinc/20/54/91/1421205491.db2.gz LZXZSTVXBCOGLK-SFFCAUCYSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]C/C=C/Cl)CC1)[NH+](CC)CC ZINC001717240131 1421208503 /nfs/dbraw/zinc/20/85/03/1421208503.db2.gz LLYVUTVANLNFTL-ONOODXEBSA-N 2 0 343.943 3.220 10 0 EGAERP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)C[NH+]3[C@H](C)CC[C@@H]3C)cc2C1 ZINC001717270612 1421228031 /nfs/dbraw/zinc/22/80/31/1421228031.db2.gz FSTXVTZWIWESHA-CALCHBBNSA-N 2 0 343.515 3.147 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)C[C@@H]1[NH2+]CC1CCC2(CC2)CC1 ZINC001717290991 1421237686 /nfs/dbraw/zinc/23/76/86/1421237686.db2.gz SSPNTHVUVVNVGM-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733289600 1429468121 /nfs/dbraw/zinc/46/81/21/1429468121.db2.gz SNHBRQZYXWWJJU-NYPGBQQYSA-N 2 0 347.547 3.143 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C[C@@H]1C ZINC001717336099 1421273150 /nfs/dbraw/zinc/27/31/50/1421273150.db2.gz NORTTXVMYIFPJC-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717366204 1421301634 /nfs/dbraw/zinc/30/16/34/1421301634.db2.gz VQNLGJQZIZPHMS-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001717368519 1421305632 /nfs/dbraw/zinc/30/56/32/1421305632.db2.gz CRPCLABETUNSCP-CRAIPNDOSA-N 2 0 342.487 3.225 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001717458015 1421387208 /nfs/dbraw/zinc/38/72/08/1421387208.db2.gz CFHJDIIFTUORMC-UHFFFAOYSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CCCC1CCCC1 ZINC001717471810 1421404910 /nfs/dbraw/zinc/40/49/10/1421404910.db2.gz GBHVCTOXRHAIIC-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cccc(C)c1C[NH+](C)[C@H](C)CNC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001717476457 1421410468 /nfs/dbraw/zinc/41/04/68/1421410468.db2.gz MWEUOGCGKPLKDT-MOPGFXCFSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)=CC[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485637 1421422016 /nfs/dbraw/zinc/42/20/16/1421422016.db2.gz PUIKKXIFBVFOCH-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001717513515 1421450304 /nfs/dbraw/zinc/45/03/04/1421450304.db2.gz WBKUKKUXLCBVGQ-MOPGFXCFSA-N 2 0 337.552 3.288 10 0 EGAERP CCCCCC[NH2+]CC1(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CCCCC1 ZINC001717523484 1421459378 /nfs/dbraw/zinc/45/93/78/1421459378.db2.gz SALFLEFUYWZLLM-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CC2CC(C)(C)C2)C1 ZINC001717540327 1421480380 /nfs/dbraw/zinc/48/03/80/1421480380.db2.gz NNANYAOTWMXPGB-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CCCC[NH+]1CCCC1 ZINC001717542585 1421482928 /nfs/dbraw/zinc/48/29/28/1421482928.db2.gz HZTAMXMVMSIDRM-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717547972 1421487246 /nfs/dbraw/zinc/48/72/46/1421487246.db2.gz CYESAKBMVILOLA-TUYSUELWSA-N 2 0 335.536 3.044 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001717587749 1421516277 /nfs/dbraw/zinc/51/62/77/1421516277.db2.gz LFSNPGOUDSLCHL-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001717588688 1421517409 /nfs/dbraw/zinc/51/74/09/1421517409.db2.gz FUJNDBGWGPFYSO-JKCVZHOFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001717649665 1421550333 /nfs/dbraw/zinc/55/03/33/1421550333.db2.gz SZKUWJRUWQWASD-GUDVDZBRSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001717667686 1421558259 /nfs/dbraw/zinc/55/82/59/1421558259.db2.gz LHFVFFDQYTYIIR-ICSRJNTNSA-N 2 0 345.531 3.242 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001717673944 1421560516 /nfs/dbraw/zinc/56/05/16/1421560516.db2.gz CHHDKEQOGLQJOR-PKOBYXMFSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)CC1 ZINC001717704219 1421578539 /nfs/dbraw/zinc/57/85/39/1421578539.db2.gz HZFBIQAAYKJFLV-LJQANCHMSA-N 2 0 337.552 3.218 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001717740893 1421604326 /nfs/dbraw/zinc/60/43/26/1421604326.db2.gz IFZWAVUQZFATJY-HNAYVOBHSA-N 2 0 343.531 3.072 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001717831058 1421643754 /nfs/dbraw/zinc/64/37/54/1421643754.db2.gz WRBXMMOHCDFITF-LPHOPBHVSA-N 2 0 345.531 3.377 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)C2CCC2)[C@@H]1C ZINC001717854094 1421665843 /nfs/dbraw/zinc/66/58/43/1421665843.db2.gz PKHBFLBIFNCJIG-XZJTZLQGSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001717861988 1421674544 /nfs/dbraw/zinc/67/45/44/1421674544.db2.gz DBQRNCUFCCSKDD-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCC1 ZINC001717862216 1421674909 /nfs/dbraw/zinc/67/49/09/1421674909.db2.gz GBKGULFLKLNFED-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC1(C)C ZINC001717895484 1421693217 /nfs/dbraw/zinc/69/32/17/1421693217.db2.gz MTQZZFZPIJIHCQ-XZVRFQMRSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1(C)C ZINC001717896404 1421694218 /nfs/dbraw/zinc/69/42/18/1421694218.db2.gz GYVRPFKHYGVYAX-YZPMEYCISA-N 2 0 349.563 3.290 10 0 EGAERP CC1CC(C[NH2+][C@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC2(C)C)C1 ZINC001717903906 1421700042 /nfs/dbraw/zinc/70/00/42/1421700042.db2.gz BMHXAZYBRHVGFI-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001717950374 1421719132 /nfs/dbraw/zinc/71/91/32/1421719132.db2.gz OZMNOZRXKXUMKD-ROUUACIJSA-N 2 0 339.568 3.322 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC001717959505 1421731376 /nfs/dbraw/zinc/73/13/76/1421731376.db2.gz NZZTYNYBVCAXIS-ZACQAIPSSA-N 2 0 339.568 3.273 10 0 EGAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001717995212 1421763432 /nfs/dbraw/zinc/76/34/32/1421763432.db2.gz IZUWSAFZXFHUGQ-YHVRXOPRSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCC1 ZINC001733388243 1429576626 /nfs/dbraw/zinc/57/66/26/1429576626.db2.gz WJDDIYZLOAYKCW-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001733453581 1429667561 /nfs/dbraw/zinc/66/75/61/1429667561.db2.gz MJEQWNRYGSKFBB-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](C(=O)NCC1(C)CC[NH+](CC2CCC2)CC1)[NH+]1CCCC1 ZINC001733453603 1429667759 /nfs/dbraw/zinc/66/77/59/1429667759.db2.gz NKBUKSTXOTWEPE-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459929 1429683544 /nfs/dbraw/zinc/68/35/44/1429683544.db2.gz ARJMENDGFCYIRJ-JXFKEZNVSA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+](CC)CC ZINC001733460136 1429683804 /nfs/dbraw/zinc/68/38/04/1429683804.db2.gz CHOLUFHJOUAZGV-AZUAARDMSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)CCC[NH2+]CCC2CCCCCC2)C1 ZINC001723124127 1424303624 /nfs/dbraw/zinc/30/36/24/1424303624.db2.gz UQEBWSWFHAFJKA-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1CC ZINC001723384330 1424380489 /nfs/dbraw/zinc/38/04/89/1424380489.db2.gz HZFQMCIYDCGDEW-QUCCMNQESA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723608338 1424489209 /nfs/dbraw/zinc/48/92/09/1424489209.db2.gz QFFUIDNSUVCQCM-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001723690325 1424530599 /nfs/dbraw/zinc/53/05/99/1424530599.db2.gz HTIBGSNFSYKCMC-TZIWHRDSSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001723698105 1424534855 /nfs/dbraw/zinc/53/48/55/1424534855.db2.gz GGDBGICIXFBRMD-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001723939040 1424608926 /nfs/dbraw/zinc/60/89/26/1424608926.db2.gz ABSNRSJCSMYYOG-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH+]1CCC(C)(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CC1 ZINC001724013744 1424627985 /nfs/dbraw/zinc/62/79/85/1424627985.db2.gz ALWSBJJLRGMYFY-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C)CC[NH+](CCC2CCCCCC2)CC1 ZINC001724015116 1424628894 /nfs/dbraw/zinc/62/88/94/1424628894.db2.gz VGHTWEFMOQWWCN-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCC(CC)C[NH+]1CCC(C)(NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001724025274 1424633086 /nfs/dbraw/zinc/63/30/86/1424633086.db2.gz GJFHDWVAHSNFLW-IRXDYDNUSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CCC[NH+]1C)C2 ZINC001724122430 1424674472 /nfs/dbraw/zinc/67/44/72/1424674472.db2.gz LGISSPNLGCGDJC-PXODQFSGSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@@H](C(=O)N[C@@]1(C)CC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001724174501 1424709213 /nfs/dbraw/zinc/70/92/13/1424709213.db2.gz RDVJYBSRIZBTDK-LPHOPBHVSA-N 2 0 325.541 3.124 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@](C)(C[NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001724224543 1424743264 /nfs/dbraw/zinc/74/32/64/1424743264.db2.gz ZWUJOUSARJDAAI-NRFANRHFSA-N 2 0 347.547 3.189 10 0 EGAERP CCCCC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001724273703 1424768461 /nfs/dbraw/zinc/76/84/61/1424768461.db2.gz RLKNDXDUVDHEMN-NRFANRHFSA-N 2 0 345.531 3.380 10 0 EGAERP C[NH+](C)CCCC(=O)NCC1(C)CC[NH+](CC2=CCCCC2)CC1 ZINC001724295385 1424780580 /nfs/dbraw/zinc/78/05/80/1424780580.db2.gz SIGVWVYCSFMHMY-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001724511820 1424888348 /nfs/dbraw/zinc/88/83/48/1424888348.db2.gz MCSYIGFYKHJLSR-PMACEKPBSA-N 2 0 345.531 3.279 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724540984 1424902653 /nfs/dbraw/zinc/90/26/53/1424902653.db2.gz SVQVGKHCDQVIKP-XXCOWLKOSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724609297 1424946667 /nfs/dbraw/zinc/94/66/67/1424946667.db2.gz WVZWTUFYWSTGPA-KGTDMUDKSA-N 2 0 349.563 3.195 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CCCC(C)(C)C ZINC001724655830 1425022224 /nfs/dbraw/zinc/02/22/24/1425022224.db2.gz MTKHGPOCEHKVIP-QRVBRYPASA-N 2 0 349.563 3.362 10 0 EGAERP CC[NH2+]CCN(Cc1ccccc1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001733571251 1429774040 /nfs/dbraw/zinc/77/40/40/1429774040.db2.gz KSMSVIDASJTUES-UHFFFAOYSA-N 2 0 345.531 3.278 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@H](CC[NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001724716358 1425070193 /nfs/dbraw/zinc/07/01/93/1425070193.db2.gz TWWQSPOUWSDPDH-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]([NH2+]C/C=C/Cl)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001724748386 1425117639 /nfs/dbraw/zinc/11/76/39/1425117639.db2.gz IVBDOKBGKBGPGT-RGOXZVDPSA-N 2 0 349.906 3.048 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]CCC3=CCCCC3)CCC2)CC1 ZINC001724795999 1425163497 /nfs/dbraw/zinc/16/34/97/1425163497.db2.gz KQWHEBOPRIYBON-UHFFFAOYSA-N 2 0 347.547 3.237 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001724795958 1425163579 /nfs/dbraw/zinc/16/35/79/1425163579.db2.gz JDXKCGHEFQSVCO-LSLCWXNRSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001724797924 1425165912 /nfs/dbraw/zinc/16/59/12/1425165912.db2.gz XJSJBCMLHUFPLK-DLBZAZTESA-N 2 0 335.536 3.068 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001724836683 1425184976 /nfs/dbraw/zinc/18/49/76/1425184976.db2.gz IJDLHSFWTAFMAI-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001724846502 1425198371 /nfs/dbraw/zinc/19/83/71/1425198371.db2.gz VIWJRQDDBLOTHM-OALUTQOASA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H](NC(=O)CC[NH+](C)C)CC1 ZINC001724846505 1425198749 /nfs/dbraw/zinc/19/87/49/1425198749.db2.gz VIWJRQDDBLOTHM-RBUKOAKNSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C1CC[NH+](C)CC1)C2 ZINC001724901930 1425296057 /nfs/dbraw/zinc/29/60/57/1425296057.db2.gz ZNFOXPQEWUCICM-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)C[C@H]1[NH2+]CCC1CCCCC1 ZINC001724942391 1425326857 /nfs/dbraw/zinc/32/68/57/1425326857.db2.gz CULPHGKELVYJOV-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCC2)CC1 ZINC001724954553 1425340200 /nfs/dbraw/zinc/34/02/00/1425340200.db2.gz NVBSOVINWCVXCD-IBGZPJMESA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001724961801 1425350436 /nfs/dbraw/zinc/35/04/36/1425350436.db2.gz QBZVRHGRPRSABL-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C[C@H]1C ZINC001724999033 1425407144 /nfs/dbraw/zinc/40/71/44/1425407144.db2.gz RHMRWALFYLNOLY-GLCUZYPYSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001725060246 1425501177 /nfs/dbraw/zinc/50/11/77/1425501177.db2.gz SNYPIHMSULSKCJ-RBUKOAKNSA-N 2 0 345.531 3.319 10 0 EGAERP CCCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001725135833 1425609714 /nfs/dbraw/zinc/60/97/14/1425609714.db2.gz BKWJSEIHRPAUKH-CTWPCTMYSA-N 2 0 337.552 3.410 10 0 EGAERP CN(C(=O)CC[NH+](C)C)C1CCC([NH2+]CCC2=CCCCC2)CC1 ZINC001725136541 1425611385 /nfs/dbraw/zinc/61/13/85/1425611385.db2.gz BUEXNSADOGWFNK-UHFFFAOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@H](C(=O)N(C)CC(C)(C)C[NH2+]CC1CCC(C)CC1)[NH+](C)C ZINC001725144158 1425624621 /nfs/dbraw/zinc/62/46/21/1425624621.db2.gz ZYQFFQBBVTUAPM-DAWZGUTISA-N 2 0 339.568 3.227 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CCC3CCCC3)CCCCC2)CC1 ZINC001725225465 1425794317 /nfs/dbraw/zinc/79/43/17/1425794317.db2.gz BGNAALXYLQAXKW-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1C[NH+](CC2CCCC2)C1 ZINC001725254901 1425878222 /nfs/dbraw/zinc/87/82/22/1425878222.db2.gz KBFBFENIFKKPPR-MRXNPFEDSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[N@@H+]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725302214 1425951452 /nfs/dbraw/zinc/95/14/52/1425951452.db2.gz ZINASVKLCHSGDG-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001725360710 1426010478 /nfs/dbraw/zinc/01/04/78/1426010478.db2.gz YYLHUQWJIXFHIH-DSBJASEKSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001725478168 1426152163 /nfs/dbraw/zinc/15/21/63/1426152163.db2.gz CHJLIMGFYRSTLP-IAGOWNOFSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725504842 1426186595 /nfs/dbraw/zinc/18/65/95/1426186595.db2.gz PHKPESZCMIKNOW-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@]23CCC[C@H]2[N@H+](CCCC(C)(C)C)CC3)CC1 ZINC001725609972 1426268143 /nfs/dbraw/zinc/26/81/43/1426268143.db2.gz IXLARCOWNODVCR-UTKZUKDTSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001725611902 1426270978 /nfs/dbraw/zinc/27/09/78/1426270978.db2.gz QSJZTNMPJUUBLX-YFVAEKQCSA-N 2 0 343.515 3.203 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)[C@@H]1C ZINC001725622351 1426287810 /nfs/dbraw/zinc/28/78/10/1426287810.db2.gz HGIPHNBVFDQFGI-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCC(C)(C)C)CC2 ZINC001725629357 1426297130 /nfs/dbraw/zinc/29/71/30/1426297130.db2.gz MQJYPAAPKDPMFC-YLJYHZDGSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001725765817 1426448796 /nfs/dbraw/zinc/44/87/96/1426448796.db2.gz FSBCALWEEUXBEB-UBUSWJPISA-N 2 0 349.563 3.290 10 0 EGAERP Cc1ccccc1C[NH+]1CCC([C@H](C)NC(=O)C[N@@H+](C)C(C)C)CC1 ZINC001725771636 1426455341 /nfs/dbraw/zinc/45/53/41/1426455341.db2.gz QDJYUFOUZXEMIX-SFHVURJKSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC1=CC[NH+](CC2CCCCC2)CC1 ZINC001725830868 1426508828 /nfs/dbraw/zinc/50/88/28/1426508828.db2.gz WSJDWKUSOAUNNL-HDICACEKSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001731294188 1427236675 /nfs/dbraw/zinc/23/66/75/1427236675.db2.gz PQVKGFJEPXTTGT-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC1(C)CCC(C[N@H+](CCCNC(=O)C[NH+]2CCCC2)C2CC2)CC1 ZINC001731345440 1427283129 /nfs/dbraw/zinc/28/31/29/1427283129.db2.gz XTVZKSMSMHRJKD-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC[NH+](CC1CCCCC1)C1CC1 ZINC001731345976 1427283885 /nfs/dbraw/zinc/28/38/85/1427283885.db2.gz KBZRTIZLLBEQNR-HDICACEKSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001731378814 1427314698 /nfs/dbraw/zinc/31/46/98/1427314698.db2.gz RYQXFNNWOUZUOO-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001731506585 1427493080 /nfs/dbraw/zinc/49/30/80/1427493080.db2.gz FMYQVVDBZIHVLS-IAGOWNOFSA-N 2 0 349.494 3.055 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](C[NH2+]CCC3=CCCCC3)C2)CCC1 ZINC001731518636 1427506076 /nfs/dbraw/zinc/50/60/76/1427506076.db2.gz KVNLZXPOXPWKPH-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001731538821 1427540896 /nfs/dbraw/zinc/54/08/96/1427540896.db2.gz QGLOQFFLHBNRLE-HMECNJMJSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001731546942 1427563866 /nfs/dbraw/zinc/56/38/66/1427563866.db2.gz ZHOKTSXAPCTGEH-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C(C)C ZINC001731594532 1427636679 /nfs/dbraw/zinc/63/66/79/1427636679.db2.gz IDLNXRMEVNJPCH-YLJYHZDGSA-N 2 0 345.531 3.279 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731616513 1427663723 /nfs/dbraw/zinc/66/37/23/1427663723.db2.gz MXUAPWLFOKKBFM-NIAAJLDISA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001731638669 1427695492 /nfs/dbraw/zinc/69/54/92/1427695492.db2.gz ATVDSLLEMHJJHR-WMZOPIPTSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001731788114 1427924048 /nfs/dbraw/zinc/92/40/48/1427924048.db2.gz SVXCUORBILJFKV-JXFKEZNVSA-N 2 0 349.494 3.008 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC(C)(C)C1)[NH+](CC)CC ZINC001731832365 1428043108 /nfs/dbraw/zinc/04/31/08/1428043108.db2.gz BFWNJQGWRXBEPF-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001731837912 1428056074 /nfs/dbraw/zinc/05/60/74/1428056074.db2.gz IVLFPMDPZRMDRZ-RRFGBZISSA-N 2 0 343.515 3.299 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001733601308 1429806461 /nfs/dbraw/zinc/80/64/61/1429806461.db2.gz HVISVAJXDVMIGJ-VQTJNVASSA-N 2 0 347.547 3.118 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+](CCC)C1 ZINC001733607773 1429825483 /nfs/dbraw/zinc/82/54/83/1429825483.db2.gz VYYWSXQOOUMCJF-HSALFYBXSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668114 1429862835 /nfs/dbraw/zinc/86/28/35/1429862835.db2.gz SKFAOFFXGNMGMX-AZUAARDMSA-N 2 0 347.547 3.047 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CCC3CCCCCC3)C2)C1 ZINC001733676127 1429871581 /nfs/dbraw/zinc/87/15/81/1429871581.db2.gz GVQPHJSRVHQVNF-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCCF)cc1 ZINC001733682758 1429896581 /nfs/dbraw/zinc/89/65/81/1429896581.db2.gz VRVQJIQNNOTMTA-LPHOPBHVSA-N 2 0 349.494 3.186 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)CC1 ZINC001733695931 1429913523 /nfs/dbraw/zinc/91/35/23/1429913523.db2.gz RKENEUSFSITEBF-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001733716310 1429934974 /nfs/dbraw/zinc/93/49/74/1429934974.db2.gz PYHDLFSYUMMRNC-LJQANCHMSA-N 2 0 347.547 3.212 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001733759959 1429974283 /nfs/dbraw/zinc/97/42/83/1429974283.db2.gz IQKQPHKYHRXYQJ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1 ZINC001733808865 1430083001 /nfs/dbraw/zinc/08/30/01/1430083001.db2.gz ASFFEUCOOFRIEA-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001733872151 1437698278 /nfs/dbraw/zinc/69/82/78/1437698278.db2.gz LRDUANJAKQDQIV-VUOWKATKSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001733939672 1437755808 /nfs/dbraw/zinc/75/58/08/1437755808.db2.gz OVOXKWPGIRLUGZ-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001733948602 1437761628 /nfs/dbraw/zinc/76/16/28/1437761628.db2.gz HCBATCAYAXVOES-MHJFOBGBSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001734009088 1437800745 /nfs/dbraw/zinc/80/07/45/1437800745.db2.gz QMQRVPFAPCZAEN-JKSUJKDBSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)CC1=CCCCC1 ZINC001734040462 1437829192 /nfs/dbraw/zinc/82/91/92/1437829192.db2.gz GOSOFPBFFQPPFF-XLIONFOSSA-N 2 0 347.547 3.330 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001734094774 1437878820 /nfs/dbraw/zinc/87/88/20/1437878820.db2.gz VFCKSVGXVGTXQO-OALUTQOASA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001734106624 1437893111 /nfs/dbraw/zinc/89/31/11/1437893111.db2.gz RQQLCZIQMDAJFD-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001734189231 1437932075 /nfs/dbraw/zinc/93/20/75/1437932075.db2.gz OCVINBBVDTXSCE-IPMKNSEASA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(CC)cc1 ZINC001734327658 1438052102 /nfs/dbraw/zinc/05/21/02/1438052102.db2.gz YWEYWPAZGDYAOR-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC(C)(C)C)CC2)C1CCC1 ZINC001734438941 1438101378 /nfs/dbraw/zinc/10/13/78/1438101378.db2.gz OMKKSTVXAYDQEK-FXAWDEMLSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H](C[NH2+]CCC2CCCCCC2)C1 ZINC001734482010 1438127403 /nfs/dbraw/zinc/12/74/03/1438127403.db2.gz QUTUREOZIWDDOU-RTBURBONSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001734494733 1438131557 /nfs/dbraw/zinc/13/15/57/1438131557.db2.gz BXYPTLZICAXDFY-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001734554650 1438153401 /nfs/dbraw/zinc/15/34/01/1438153401.db2.gz PHMZGIMHMPVVGH-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001734564650 1438160855 /nfs/dbraw/zinc/16/08/55/1438160855.db2.gz RBIQNPJHTKRJKO-GOSISDBHSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC(=O)N[C@@H](C[NH2+]CC1CCCC1)C(C)(C)C)CC(C)(C)C ZINC001734569442 1438164135 /nfs/dbraw/zinc/16/41/35/1438164135.db2.gz LWDUEWOVFQARQW-KRWDZBQOSA-N 2 0 339.568 3.275 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001734572343 1438166080 /nfs/dbraw/zinc/16/60/80/1438166080.db2.gz YNRPXSQOUIFATL-WVTGGUBDSA-N 2 0 337.552 3.194 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001734574763 1438168055 /nfs/dbraw/zinc/16/80/55/1438168055.db2.gz DVDMNKHOTPZMMA-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC2CCCC2)C1 ZINC001734596333 1438180892 /nfs/dbraw/zinc/18/08/92/1438180892.db2.gz NMMDBEZTCBWRDW-XBMUEBEBSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2=CC[N@H+](CC3CCCCC3)CC2)CC1 ZINC001734632899 1438194325 /nfs/dbraw/zinc/19/43/25/1438194325.db2.gz AXKBKMVRLWYXBT-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001750931771 1440113574 /nfs/dbraw/zinc/11/35/74/1440113574.db2.gz YMRDZUZVWGZTHM-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001750943817 1440117358 /nfs/dbraw/zinc/11/73/58/1440117358.db2.gz HFTMADSOFLFTCV-JNVNVXKGSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCC(F)(F)CC1 ZINC000353311896 299272061 /nfs/dbraw/zinc/27/20/61/299272061.db2.gz HRMVAHFNSBBABY-HNNXBMFYSA-N 2 0 343.506 3.349 10 0 EGAERP C[C@@H](Cc1ccccc1)C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000377715577 169067934 /nfs/dbraw/zinc/06/79/34/169067934.db2.gz KOTCRPJWGSSZGW-WTBLGDFPSA-N 2 0 341.543 3.108 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488144 141122536 /nfs/dbraw/zinc/12/25/36/141122536.db2.gz MHFLHDCYTXKBQJ-FXAWDEMLSA-N 2 0 328.500 3.303 10 0 EGAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000348061736 141237366 /nfs/dbraw/zinc/23/73/66/141237366.db2.gz JKACCUGNQDEVBL-MOPGFXCFSA-N 2 0 330.520 3.008 10 0 EGAERP CCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000353461596 141302220 /nfs/dbraw/zinc/30/22/20/141302220.db2.gz MLHSYYADBNYZKM-RCCFBDPRSA-N 2 0 332.488 3.446 10 0 EGAERP CCOCCOCc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353461657 141302397 /nfs/dbraw/zinc/30/23/97/141302397.db2.gz NALDFXJOCGGOLM-PWRODBHTSA-N 2 0 346.515 3.202 10 0 EGAERP O[C@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)c1ccc(F)cc1Cl ZINC000186673261 144140488 /nfs/dbraw/zinc/14/04/88/144140488.db2.gz KHHVGEQADSWWTR-GOSISDBHSA-N 2 0 340.870 3.320 10 0 EGAERP CCC1(CNC(=[NH2+])N(C)C2CC2)CC[NH+](Cc2ccccc2)CC1 ZINC000364268435 144394280 /nfs/dbraw/zinc/39/42/80/144394280.db2.gz QZNUDETYEONCCB-UHFFFAOYSA-N 2 0 328.504 3.297 10 0 EGAERP C[C@@]1(CNC(=O)c2ccc3c[nH+]cn3c2)CCC[N@@H+]1Cc1ccccc1 ZINC000341591109 155370905 /nfs/dbraw/zinc/37/09/05/155370905.db2.gz PILNCIPDVSLQLU-NRFANRHFSA-N 2 0 348.450 3.119 10 0 EGAERP CN1CC[NH+]([C@@H]2CCCCN(Cc3cc(F)ccc3Cl)C2)CC1 ZINC000189207350 153056764 /nfs/dbraw/zinc/05/67/64/153056764.db2.gz DKWQMLDMSZILQT-QGZVFWFLSA-N 2 0 339.886 3.081 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000262262226 153804382 /nfs/dbraw/zinc/80/43/82/153804382.db2.gz GRDVWPVTTJXHPO-QXAKKESOSA-N 2 0 343.515 3.284 10 0 EGAERP [NH3+]CCCN(CC(=O)Nc1ccc(F)c(Cl)c1)Cc1ccccc1 ZINC000310030982 154140336 /nfs/dbraw/zinc/14/03/36/154140336.db2.gz OPEYQIGHKXYQPG-UHFFFAOYSA-N 2 0 349.837 3.269 10 0 EGAERP C[N@@H+](CCCc1nc(-c2cccs2)no1)CCC[NH+]1CCCC1 ZINC000337285481 154260361 /nfs/dbraw/zinc/26/03/61/154260361.db2.gz ZYISVJXVMQTCLQ-UHFFFAOYSA-N 2 0 334.489 3.148 10 0 EGAERP c1nc2ccccn2c1C[N@@H+]1CCC[C@@H](c2ncc3n2CCCC3)C1 ZINC000337375428 154317318 /nfs/dbraw/zinc/31/73/18/154317318.db2.gz GJXGUMPXYKLYIH-MRXNPFEDSA-N 2 0 335.455 3.247 10 0 EGAERP COc1cc2c(cc1OC)CC[NH+](CCCCn1ccnc1C)CC2 ZINC000372429609 157328463 /nfs/dbraw/zinc/32/84/63/157328463.db2.gz XPOWJFDTTYXUQJ-UHFFFAOYSA-N 2 0 343.471 3.090 10 0 EGAERP COc1cc2c(NC[C@@H]3C[N@H+](CC(C)C)CCO3)cc[nH+]c2cc1F ZINC000359413416 167149125 /nfs/dbraw/zinc/14/91/25/167149125.db2.gz UPZVEQGWOUJDIO-CQSZACIVSA-N 2 0 347.434 3.151 10 0 EGAERP COc1ccc(OC)c(CCC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000367551607 168240761 /nfs/dbraw/zinc/24/07/61/168240761.db2.gz LHBVANYDPYGCFX-GUDVDZBRSA-N 2 0 332.488 3.099 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250310712 266263556 /nfs/dbraw/zinc/26/35/56/266263556.db2.gz LUTOGPIJIPZFEF-DYVFJYSZSA-N 2 0 337.305 3.238 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1CC[NH+](C2CC2)CC1 ZINC000278576632 268044688 /nfs/dbraw/zinc/04/46/88/268044688.db2.gz XTQOUNFPWCRHAG-XMSQKQJNSA-N 3 0 341.543 3.361 10 0 EGAERP CCC[N@@H+](Cc1cn(-c2cc[nH+]cc2)nc1C)C[C@H]1CCCCO1 ZINC000346149417 276002780 /nfs/dbraw/zinc/00/27/80/276002780.db2.gz WYUVVFXSLUYBJY-LJQANCHMSA-N 2 0 328.460 3.357 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]C[C@@H](O)Cc2ccccc2)CCN1Cc1ccccc1 ZINC000286871817 276052392 /nfs/dbraw/zinc/05/23/92/276052392.db2.gz BVWFPIMIFINUIA-NYVOZVTQSA-N 2 0 338.495 3.233 10 0 EGAERP CC(C)(C)OC(=O)C1CCC([NH+]2CCC([NH+]3CCCC3)CC2)CC1 ZINC000097032806 277174080 /nfs/dbraw/zinc/17/40/80/277174080.db2.gz SECOLPMDXKWTKT-UHFFFAOYSA-N 2 0 336.520 3.447 10 0 EGAERP C[C@@H](C(=O)N[C@H]1CCC[C@@H](C)[C@@H]1C)[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000343573113 278212324 /nfs/dbraw/zinc/21/23/24/278212324.db2.gz AUWDYZGFJLLYQE-LXZJYRNTSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1NC[C@@H]1CCC[NH+](C)[C@H]1c1cccs1 ZINC000248119475 288103808 /nfs/dbraw/zinc/10/38/08/288103808.db2.gz NEGMABQUABPCEO-QLCXLMDBSA-N 2 0 335.561 3.449 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000182622866 302174924 /nfs/dbraw/zinc/17/49/24/302174924.db2.gz MBCHUSMLQJLXIV-GURQWTFNSA-N 2 0 327.516 3.299 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)c(Cl)c2)[C@@H](C)C1 ZINC000294857006 308264793 /nfs/dbraw/zinc/26/47/93/308264793.db2.gz CSTRCKNIRKPTBJ-GUYCJALGSA-N 2 0 338.879 3.289 10 0 EGAERP [NH3+]CC(=O)N1CCC[C@@H](C[N@@H+]2CCCC[C@H]2c2cccc(Cl)c2)C1 ZINC000414745269 309098582 /nfs/dbraw/zinc/09/85/82/309098582.db2.gz PHMTWNPJOLYORE-YJBOKZPZSA-N 2 0 349.906 3.064 10 0 EGAERP [NH3+]CC(=O)N1CCC[C@H](C[N@@H+]2CCCC[C@@H]2c2cccc(Cl)c2)C1 ZINC000414745260 309098588 /nfs/dbraw/zinc/09/85/88/309098588.db2.gz PHMTWNPJOLYORE-CRAIPNDOSA-N 2 0 349.906 3.064 10 0 EGAERP COCCCOc1cccc(C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414815369 309103424 /nfs/dbraw/zinc/10/34/24/309103424.db2.gz XJOSUWNGJZFZLY-INIZCTEOSA-N 2 0 328.456 3.411 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC(NCCC[NH2+]Cc3cccnc3)CC2)C1 ZINC000414876672 309106876 /nfs/dbraw/zinc/10/68/76/309106876.db2.gz KTKWBEAQRIQVEP-GHTZIAJQSA-N 2 0 344.547 3.194 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]C[C@@]1(C)CCC[NH2+]C1 ZINC000414918808 309109321 /nfs/dbraw/zinc/10/93/21/309109321.db2.gz VHIANHKGELNMMV-LRDDRELGSA-N 2 0 343.284 3.499 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942819 309110563 /nfs/dbraw/zinc/11/05/63/309110563.db2.gz MZFATOORQOCERY-UGSOOPFHSA-N 2 0 339.886 3.031 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414943862 309110634 /nfs/dbraw/zinc/11/06/34/309110634.db2.gz OMAITMRQSKWKJV-DNVCBOLYSA-N 2 0 340.467 3.458 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414952236 309111052 /nfs/dbraw/zinc/11/10/52/309111052.db2.gz IMRJNDAWRYFDEL-MGPUTAFESA-N 2 0 328.431 3.492 10 0 EGAERP Cc1cc2cc(C[NH2+]C3CCC(N4CC[NH2+]CC4)CC3)oc2cc1C ZINC000415053260 309116803 /nfs/dbraw/zinc/11/68/03/309116803.db2.gz MGPOVGWUAOSFEG-UHFFFAOYSA-N 2 0 341.499 3.356 10 0 EGAERP [NH3+]CC1CCC([NH2+][C@H]2CCOc3ccc(Br)cc32)CC1 ZINC000415106802 309120758 /nfs/dbraw/zinc/12/07/58/309120758.db2.gz NIDIKGZAZPGZPS-HGMXIMQMSA-N 2 0 339.277 3.380 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)[NH+]1C[C@@H](C)C[C@H](C)C1 ZINC000415894939 309146599 /nfs/dbraw/zinc/14/65/99/309146599.db2.gz AMFKEKFQQCNOEG-HOTGVXAUSA-N 2 0 346.519 3.284 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCC[N@H+](C)C1CCCCC1 ZINC000415896580 309146754 /nfs/dbraw/zinc/14/67/54/309146754.db2.gz DLSGPPFNFTYACY-UHFFFAOYSA-N 2 0 332.492 3.182 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000415933719 309149637 /nfs/dbraw/zinc/14/96/37/309149637.db2.gz QMWFTUHSJCXANF-UHFFFAOYSA-N 2 0 332.492 3.040 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000415941181 309150256 /nfs/dbraw/zinc/15/02/56/309150256.db2.gz FLKCSEGARQWVCS-HOTGVXAUSA-N 2 0 332.492 3.181 10 0 EGAERP C[C@H]([NH3+])c1ccc(CNC(=O)C(C)(C)[C@@H]([NH3+])c2ccccc2)cc1 ZINC000417816315 309223878 /nfs/dbraw/zinc/22/38/78/309223878.db2.gz PUHYMMHNQNCFFO-KSSFIOAISA-N 2 0 325.456 3.049 10 0 EGAERP CCCN(CC[NH+]1CCCCC1)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418497275 309247465 /nfs/dbraw/zinc/24/74/65/309247465.db2.gz VYGZNESQHVGQPX-QGZVFWFLSA-N 2 0 346.519 3.114 10 0 EGAERP Brc1cccc2c1OCC[C@@H]2[NH2+]CC[C@@H]1CCC[NH2+]C1 ZINC000420405028 309286701 /nfs/dbraw/zinc/28/67/01/309286701.db2.gz MRYRWXRZFFYGSQ-WFASDCNBSA-N 2 0 339.277 3.252 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@]1(CO)C[C@@H](C)CC(C)(C)C1 ZINC000421342672 309319297 /nfs/dbraw/zinc/31/92/97/309319297.db2.gz OIGLJXZRZHDOQU-YWZLYKJASA-N 2 0 342.487 3.243 10 0 EGAERP CC[C@H]1C[C@@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000421388574 309322293 /nfs/dbraw/zinc/32/22/93/309322293.db2.gz QARWPNJISSNSCC-ICSRJNTNSA-N 2 0 345.531 3.264 10 0 EGAERP C[C@@H]([NH3+])C[C@@H](C)[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720652 309364876 /nfs/dbraw/zinc/36/48/76/309364876.db2.gz ZYOFNIMKKZHTEM-ZIAGYGMSSA-N 2 0 343.437 3.385 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1ccc(NC(=O)C(C)C)cc1 ZINC000422789733 309368519 /nfs/dbraw/zinc/36/85/19/309368519.db2.gz BMPXTOPHSNRVNW-CQSZACIVSA-N 2 0 340.471 3.294 10 0 EGAERP CC[NH+]1CCC(CCN[C@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422795045 309368579 /nfs/dbraw/zinc/36/85/79/309368579.db2.gz ZMQWANUWDOYWRM-LEWJYISDSA-N 2 0 345.531 3.200 10 0 EGAERP CC[NH+]1CCC(CCN[C@H](c2ccc(OC)cc2)[C@H]2CCC[NH2+]2)CC1 ZINC000422795046 309368647 /nfs/dbraw/zinc/36/86/47/309368647.db2.gz ZMQWANUWDOYWRM-NHCUHLMSSA-N 2 0 345.531 3.200 10 0 EGAERP Fc1ccc(F)c(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422816758 309369915 /nfs/dbraw/zinc/36/99/15/309369915.db2.gz BGXIZARGJZDUCN-AZUAARDMSA-N 2 0 344.405 3.353 10 0 EGAERP c1cnn(-c2ccc(CC[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)c1 ZINC000422818902 309370117 /nfs/dbraw/zinc/37/01/17/309370117.db2.gz HJMLQAHQACNUMC-PCCBWWKXSA-N 2 0 338.499 3.315 10 0 EGAERP c1ccc(C[C@@H]2C[C@@H]2[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422916759 309376092 /nfs/dbraw/zinc/37/60/92/309376092.db2.gz DZPXARVFBWPVTJ-XBZUYWNMSA-N 2 0 334.463 3.463 10 0 EGAERP [NH3+]CC1CCC([NH2+]C2CCN(c3nc4ccccc4s3)CC2)CC1 ZINC000422935163 309376912 /nfs/dbraw/zinc/37/69/12/309376912.db2.gz DDPWGLYTFMFHNR-UHFFFAOYSA-N 2 0 344.528 3.372 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@H]1[NH2+]Cc1ccc(COc2ccccc2)cc1 ZINC000422947305 309377567 /nfs/dbraw/zinc/37/75/67/309377567.db2.gz YEPUUURCSLFSQX-ZLGUVYLKSA-N 2 0 340.467 3.108 10 0 EGAERP C[C@@H]([NH2+]C(Cc1ccccc1F)Cc1ccccc1F)C1C[NH2+]C1 ZINC000422997552 309380122 /nfs/dbraw/zinc/38/01/22/309380122.db2.gz OGOAGEXSUKEZTC-CQSZACIVSA-N 2 0 330.422 3.316 10 0 EGAERP C[C@H]([NH3+])[C@@H]1COCC[C@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092671 309385658 /nfs/dbraw/zinc/38/56/58/309385658.db2.gz CXVXOWZRRIMWBP-OZLIFCEKSA-N 2 0 326.843 3.009 10 0 EGAERP FC(F)(F)C1(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108396 309386308 /nfs/dbraw/zinc/38/63/08/309386308.db2.gz MAXPQBLTIDHMNY-BBRMVZONSA-N 2 0 326.362 3.174 10 0 EGAERP FC(F)(F)C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108397 309386336 /nfs/dbraw/zinc/38/63/36/309386336.db2.gz MAXPQBLTIDHMNY-CJNGLKHVSA-N 2 0 326.362 3.174 10 0 EGAERP C[C@@H](NCC1([NH3+])CCCCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000423207603 309390496 /nfs/dbraw/zinc/39/04/96/309390496.db2.gz XQHBRAWKKLZSLK-QGZVFWFLSA-N 2 0 333.520 3.329 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NC[C@H]([NH3+])c2ccccc2)CC1 ZINC000423249569 309392356 /nfs/dbraw/zinc/39/23/56/309392356.db2.gz OVSHGUSQACILGC-AVRDEDQJSA-N 2 0 337.511 3.372 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)cc1 ZINC000423260343 309392733 /nfs/dbraw/zinc/39/27/33/309392733.db2.gz QCBVQGSHSDQHRS-CVEARBPZSA-N 2 0 332.492 3.257 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423267271 309393115 /nfs/dbraw/zinc/39/31/15/309393115.db2.gz CQQGKLCYAZCQHF-ZQIUZPCESA-N 2 0 337.305 3.414 10 0 EGAERP CC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC[NH2+]CC1 ZINC000423319746 309394920 /nfs/dbraw/zinc/39/49/20/309394920.db2.gz DVOAXBVLGGZCDI-OWZKRDHZSA-N 3 0 327.516 3.161 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+]CC1=CC[NH2+]CC1)CCCO2 ZINC000423348385 309396335 /nfs/dbraw/zinc/39/63/35/309396335.db2.gz STWGCYCZRWJFNM-HNNXBMFYSA-N 2 0 337.261 3.172 10 0 EGAERP CS[C@@H]1CC[C@H]1[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000425358837 309476003 /nfs/dbraw/zinc/47/60/03/309476003.db2.gz REGSGNUPRPYQNV-FDQGKXFDSA-N 2 0 337.508 3.122 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449057981 310033715 /nfs/dbraw/zinc/03/37/15/310033715.db2.gz FWRBPDODUSJPPP-RXVVDRJESA-N 2 0 329.532 3.156 10 0 EGAERP COCCOC[C@@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449169430 310041980 /nfs/dbraw/zinc/04/19/80/310041980.db2.gz CXMFGJDLFUKDRX-MRXNPFEDSA-N 2 0 328.541 3.307 10 0 EGAERP CO[C@@H]1C[C@@H]([NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1(C)C ZINC000449178282 310042548 /nfs/dbraw/zinc/04/25/48/310042548.db2.gz XLLZWXJCOGKTCB-PWIZWCRZSA-N 2 0 330.516 3.485 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CCO)CCC2)CC1 ZINC000449190847 310043448 /nfs/dbraw/zinc/04/34/48/310043448.db2.gz RGZXJENZHVEDGE-GOSISDBHSA-N 2 0 330.516 3.224 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[NH+]2CCCCC2)CC1 ZINC000449218462 310045495 /nfs/dbraw/zinc/04/54/95/310045495.db2.gz IKHNVZQLYRUPQY-LJQANCHMSA-N 2 0 329.532 3.158 10 0 EGAERP C[NH+]1CCN(CCC[NH2+][C@H]2CC[C@@H](c3ccc(Cl)cc3)C2)CC1 ZINC000449222238 310045617 /nfs/dbraw/zinc/04/56/17/310045617.db2.gz VWNAGVCKCNSTBU-MJGOQNOKSA-N 2 0 335.923 3.203 10 0 EGAERP CO[C@@](C)(C[NH2+]Cc1cn(-c2cc[nH+]cc2)nc1C)c1ccccc1 ZINC000449485995 310066036 /nfs/dbraw/zinc/06/60/36/310066036.db2.gz SCFPSIDATYAXHI-FQEVSTJZSA-N 2 0 336.439 3.227 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC3(CCC3)[C@@H]2c2ccco2)CC1 ZINC000451867138 310201066 /nfs/dbraw/zinc/20/10/66/310201066.db2.gz YZSHJZJCWYZXPK-IBGZPJMESA-N 2 0 331.504 3.223 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]CCCC[N@H+](C)C1CC1 ZINC000453590802 310283125 /nfs/dbraw/zinc/28/31/25/310283125.db2.gz BKEBGTFBDWSRRT-UHFFFAOYSA-N 2 0 341.293 3.422 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CN(Cc2ccccc2)C1 ZINC000459662702 310567217 /nfs/dbraw/zinc/56/72/17/310567217.db2.gz VCINODYTVRQPKE-YLJYHZDGSA-N 2 0 334.467 3.335 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+]C[C@H]3C(C)=CCC[C@H]3C)cn2)CC1 ZINC000479571332 310878059 /nfs/dbraw/zinc/87/80/59/310878059.db2.gz YUIHZTSRQKLJQV-QUCCMNQESA-N 2 0 342.531 3.306 10 0 EGAERP CC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CCC(=O)NC2(C)C)CC1 ZINC000494920483 311522729 /nfs/dbraw/zinc/52/27/29/311522729.db2.gz SYXLQTFOYZDFGD-LJQANCHMSA-N 2 0 343.515 3.065 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510994198 312152660 /nfs/dbraw/zinc/15/26/60/312152660.db2.gz AGRFRZUHPXOYRD-UIFIKXQLSA-N 2 0 341.543 3.359 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)n1 ZINC000513335577 312207198 /nfs/dbraw/zinc/20/71/98/312207198.db2.gz QMIQNSZTNASZLQ-LPHOPBHVSA-N 2 0 331.504 3.265 10 0 EGAERP Cc1ccc(O)c(C[NH2+]CC[C@H]2C[C@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505798 312211894 /nfs/dbraw/zinc/21/18/94/312211894.db2.gz MICQJNFQWCOTPQ-HKUYNNGSSA-N 2 0 339.483 3.486 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000528015419 313000161 /nfs/dbraw/zinc/00/01/61/313000161.db2.gz XJTVQKDNTVCXPM-XLIONFOSSA-N 3 0 345.531 3.295 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(Cc2nc(C3CCCC3)no2)CC1 ZINC000528577013 313121891 /nfs/dbraw/zinc/12/18/91/313121891.db2.gz FKRRWSXGDGKGLS-GOSISDBHSA-N 2 0 346.519 3.466 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)N[C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216947 313499020 /nfs/dbraw/zinc/49/90/20/313499020.db2.gz QYQBOROPVOCMIJ-OXJNMPFZSA-N 2 0 345.531 3.472 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532236109 313772706 /nfs/dbraw/zinc/77/27/06/313772706.db2.gz SXZMDPQSYNVTIP-OAHLLOKOSA-N 2 0 329.488 3.344 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)CN1CC[NH+](C)CC1 ZINC000535064025 314022571 /nfs/dbraw/zinc/02/25/71/314022571.db2.gz ISXWSVPRWOBVQO-KGLIPLIRSA-N 2 0 327.875 3.013 10 0 EGAERP c1ccc2c(c1)CCCN2CC[N@@H+]1CC[C@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000536427937 314113332 /nfs/dbraw/zinc/11/33/32/314113332.db2.gz YAGPPIWMVITSLL-KNQAVFIVSA-N 2 0 339.527 3.388 10 0 EGAERP Cc1cc([C@H]([NH2+]C[C@H](C)CN2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000538099438 314227093 /nfs/dbraw/zinc/22/70/93/314227093.db2.gz YYKBKTGTMYYLHU-MGPUTAFESA-N 2 0 333.495 3.058 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@@H]2CCC[C@@H]21 ZINC000552066907 315195086 /nfs/dbraw/zinc/19/50/86/315195086.db2.gz UIHOGEBNLIFBQE-IHPCNDPISA-N 2 0 347.934 3.161 10 0 EGAERP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21 ZINC000552275320 315210212 /nfs/dbraw/zinc/21/02/12/315210212.db2.gz RPFJMOWYNQLLDF-TVFCKZIOSA-N 2 0 332.488 3.173 10 0 EGAERP CC(C)C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000552924838 315237766 /nfs/dbraw/zinc/23/77/66/315237766.db2.gz NLCIGAKLUCUPQU-FQEVSTJZSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)N(CC[NH+]1CCCCCC1)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000561732870 315779028 /nfs/dbraw/zinc/77/90/28/315779028.db2.gz LDSAMSPWLWZFKB-UHFFFAOYSA-N 2 0 346.519 3.021 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(-c3ccccc3)nn2C)CC1 ZINC000564168262 316119971 /nfs/dbraw/zinc/11/99/71/316119971.db2.gz LZKZOLVAFIHBRE-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP CCC[C@H](C)[C@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000570973809 317134169 /nfs/dbraw/zinc/13/41/69/317134169.db2.gz SYCYCXGTVOAJGB-UEXGIBASSA-N 2 0 332.532 3.469 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@H]2CCC[C@@H]21 ZINC000572106170 317291779 /nfs/dbraw/zinc/29/17/79/317291779.db2.gz DOWRVBGKEJMSON-LDTOTXGLSA-N 2 0 331.479 3.114 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)CC[NH2+]1 ZINC000573545479 317499557 /nfs/dbraw/zinc/49/95/57/317499557.db2.gz HWBINMAZZRHFQJ-NVXWUHKLSA-N 2 0 339.487 3.290 10 0 EGAERP OC1(C[NH2+]Cc2ccc3[nH]ccc3c2)CC[NH+](Cc2ccccc2)CC1 ZINC000397552317 324295208 /nfs/dbraw/zinc/29/52/08/324295208.db2.gz YBKQEEZXCCVSQS-UHFFFAOYSA-N 2 0 349.478 3.285 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCCn2nccc21)c1cccc(OCC[NH+](C)C)c1 ZINC000631809178 460568196 /nfs/dbraw/zinc/56/81/96/460568196.db2.gz MHLZSOXWOHHQJW-QAPCUYQASA-N 2 0 328.460 3.009 10 0 EGAERP c1[nH]nc2c1C[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000245679354 455353944 /nfs/dbraw/zinc/35/39/44/455353944.db2.gz ILMNVQGEISXKTN-WTGUMLROSA-N 2 0 336.483 3.052 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1csc(C(F)(F)F)c1 ZINC000623563127 460613803 /nfs/dbraw/zinc/61/38/03/460613803.db2.gz OTUZYJTUFSNNKI-LBPRGKRZSA-N 2 0 337.455 3.129 10 0 EGAERP CC1(C[NH2+]C2CCN(Cc3ccc(Cl)cc3)CC2)OCCCO1 ZINC000190661782 455362277 /nfs/dbraw/zinc/36/22/77/455362277.db2.gz GLXFXIUEABWCOL-UHFFFAOYSA-N 2 0 338.879 3.047 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2CCSCC2)CC1 ZINC000088721711 454117726 /nfs/dbraw/zinc/11/77/26/454117726.db2.gz MLFBBKXTSDJLGF-UHFFFAOYSA-N 2 0 347.572 3.451 10 0 EGAERP C[C@@H](c1ccc(Cl)cc1)[NH+]1CCC(C[NH+]2CCN(C)CC2)CC1 ZINC000069971691 454161164 /nfs/dbraw/zinc/16/11/64/454161164.db2.gz LUGUJVNPYCFVIJ-INIZCTEOSA-N 2 0 335.923 3.360 10 0 EGAERP CC(C)=CC[NH+]1CCC(NCC2([NH+]3CCCCC3)CCOCC2)CC1 ZINC000089594778 454165017 /nfs/dbraw/zinc/16/50/17/454165017.db2.gz QPABNNVZVREBTK-UHFFFAOYSA-N 2 0 349.563 3.042 10 0 EGAERP C[N@@H+](Cc1cncs1)CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000121161219 454400400 /nfs/dbraw/zinc/40/04/00/454400400.db2.gz XWPWDAUPTXGULZ-LJQANCHMSA-N 2 0 345.512 3.021 10 0 EGAERP C[C@H](C[NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)Cc1ccccc1 ZINC000133603484 454444558 /nfs/dbraw/zinc/44/45/58/454444558.db2.gz YYTCJTYRSUNDNQ-SFHVURJKSA-N 2 0 329.532 3.013 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(OCCOC)cc2)CC1 ZINC000122689010 454559495 /nfs/dbraw/zinc/55/94/95/454559495.db2.gz LGCTYVGCQHWEBA-QGZVFWFLSA-N 2 0 334.504 3.484 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCc2cc(Br)ccc2C1 ZINC000104356584 454582624 /nfs/dbraw/zinc/58/26/24/454582624.db2.gz SUCGMQPYNVEART-MRXNPFEDSA-N 2 0 325.294 3.238 10 0 EGAERP c1ccc(OCCOCC[N@@H+]2CC[C@@H]3[C@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000134923771 454609937 /nfs/dbraw/zinc/60/99/37/454609937.db2.gz ZYHMCLIGYMVSQU-WIYYLYMNSA-N 2 0 344.499 3.031 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@@H](C[C@H]2CCOC2)c2ccccc2)CC1 ZINC000166459810 454912098 /nfs/dbraw/zinc/91/20/98/454912098.db2.gz HYPRKBQKCXHVFL-NQIIRXRSSA-N 2 0 346.515 3.245 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000151128374 454941718 /nfs/dbraw/zinc/94/17/18/454941718.db2.gz LPNUJNBHVFWLJM-GOEBONIOSA-N 2 0 333.476 3.036 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)Nc2ccc(Cl)cc2C)[C@@H](C)C1 ZINC000245442834 455302206 /nfs/dbraw/zinc/30/22/06/455302206.db2.gz WQOOBZASDMYVRL-WMLDXEAASA-N 2 0 337.895 3.249 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCOCC2 ZINC000186320534 455742808 /nfs/dbraw/zinc/74/28/08/455742808.db2.gz PTRYSTZFFWGUDH-UXHICEINSA-N 2 0 346.515 3.202 10 0 EGAERP C[C@@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+]CCCC[NH+](C)C ZINC000269054944 455777218 /nfs/dbraw/zinc/77/72/18/455777218.db2.gz WRHOOYVKTLRKLD-ZDUSSCGKSA-N 2 0 345.409 3.354 10 0 EGAERP CC(C)[C@H](O)C1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271879028 455796442 /nfs/dbraw/zinc/79/64/42/455796442.db2.gz OZRCXKBOVAVLAD-RLLQIKCJSA-N 2 0 330.516 3.284 10 0 EGAERP CN(C[C@@H]1CCC[NH2+]C1)[C@@H]1CCOc2ccc(Br)cc21 ZINC000261694476 455929519 /nfs/dbraw/zinc/92/95/19/455929519.db2.gz HZSNQIWZWBQLCW-IUODEOHRSA-N 2 0 339.277 3.204 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](N3CC[C@@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000271246475 456190177 /nfs/dbraw/zinc/19/01/77/456190177.db2.gz CPQMDDYCWHPJEL-LEWJYISDSA-N 2 0 327.516 3.069 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@@H](N3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000271304138 456213442 /nfs/dbraw/zinc/21/34/42/456213442.db2.gz TVTBWMZUOHFQHC-OAQYLSRUSA-N 2 0 327.516 3.211 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000237108553 456234386 /nfs/dbraw/zinc/23/43/86/456234386.db2.gz ZJHFKUULKGRMHP-MOPGFXCFSA-N 2 0 347.503 3.253 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000237108963 456234434 /nfs/dbraw/zinc/23/44/34/456234434.db2.gz ZJHFKUULKGRMHP-RBUKOAKNSA-N 2 0 347.503 3.253 10 0 EGAERP CN1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@@H]1c1ccccc1 ZINC000297657195 456271711 /nfs/dbraw/zinc/27/17/11/456271711.db2.gz NRHPUDRIWZBWPC-SFTDATJTSA-N 2 0 336.483 3.085 10 0 EGAERP CC[NH+]1CCC(CCNC(=O)Nc2ccccc2CC[NH+](C)C)CC1 ZINC000275684114 456285426 /nfs/dbraw/zinc/28/54/26/456285426.db2.gz QPADEUBCPVTMGO-UHFFFAOYSA-N 2 0 346.519 3.034 10 0 EGAERP COc1cccc(C2(C[NH2+]Cc3cn(-c4cc[nH+]cc4)nc3C)CC2)c1 ZINC000352864150 456372315 /nfs/dbraw/zinc/37/23/15/456372315.db2.gz YUHAKXVYMXVXCO-UHFFFAOYSA-N 2 0 348.450 3.406 10 0 EGAERP O[C@@H](C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1)c1ccc(F)cc1 ZINC000282048553 456399592 /nfs/dbraw/zinc/39/95/92/456399592.db2.gz LXWNAMCKJFBBGO-LPHOPBHVSA-N 2 0 343.446 3.272 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H]2CCC[C@@H]21 ZINC000340467742 456477054 /nfs/dbraw/zinc/47/70/54/456477054.db2.gz TXPLVKKMVIQNCL-PMPSAXMXSA-N 2 0 327.394 3.105 10 0 EGAERP C[NH+]1CCC(C[NH2+]C[C@H]2C[C@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000348258412 456576481 /nfs/dbraw/zinc/57/64/81/456576481.db2.gz KCAOMVMNRRCJJZ-RTWAWAEBSA-N 2 0 341.543 3.330 10 0 EGAERP O[C@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000310357263 456582358 /nfs/dbraw/zinc/58/23/58/456582358.db2.gz IQKSHPBBMLGWNY-RTWAWAEBSA-N 2 0 330.516 3.429 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@@H+]1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000311861499 456591223 /nfs/dbraw/zinc/59/12/23/456591223.db2.gz XQFRTBPZZMSUHA-XJKCOSOUSA-N 2 0 325.294 3.297 10 0 EGAERP COC[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658319735 462476358 /nfs/dbraw/zinc/47/63/58/462476358.db2.gz HMBVQOYQFVIFQO-WOJBJXKFSA-N 2 0 328.500 3.303 10 0 EGAERP COc1ccc(CN2CCC[C@H]([C@@H]3CCC[NH2+]3)C2)c(Cl)c1OC ZINC000320494679 456629782 /nfs/dbraw/zinc/62/97/82/456629782.db2.gz VPVHYTFVLMLSKZ-ZFWWWQNUSA-N 2 0 338.879 3.321 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@@H]32)c(O[C@H]2CCOC2)c1 ZINC000353407925 456681932 /nfs/dbraw/zinc/68/19/32/456681932.db2.gz SWSXFOCCOWAVFY-MTQWCTHYSA-N 2 0 344.499 3.125 10 0 EGAERP CC[N@H+](CCC[NH+]1CCCC1)Cc1ccccc1-c1ccnn1C ZINC000353519603 456731585 /nfs/dbraw/zinc/73/15/85/456731585.db2.gz MYANGIXZYPWWGW-UHFFFAOYSA-N 2 0 326.488 3.395 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199433 456734688 /nfs/dbraw/zinc/73/46/88/456734688.db2.gz LGAVMFXACUJPQP-ATZDWAIDSA-N 2 0 330.472 3.100 10 0 EGAERP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000353525322 456737030 /nfs/dbraw/zinc/73/70/30/456737030.db2.gz YGFDOSUNAJBHQI-GOSISDBHSA-N 2 0 338.499 3.251 10 0 EGAERP CC(C)[C@H](C[NH2+][C@@H](C)[C@@H]1C[C@H]1c1ccccc1)N1CC[NH+](C)CC1 ZINC000283463303 456785530 /nfs/dbraw/zinc/78/55/30/456785530.db2.gz VQNIEYQONOFYIV-VMXMFDLUSA-N 2 0 329.532 3.040 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@](C)(OC)C2)CC1 ZINC000355197815 457347098 /nfs/dbraw/zinc/34/70/98/457347098.db2.gz JOGFGRKFBYGRNA-NRFANRHFSA-N 2 0 345.531 3.220 10 0 EGAERP C[C@H](C[N@H+](C)Cc1ccccc1)NC(=O)CC[C@@H]([NH3+])c1ccccc1 ZINC000381178349 457420687 /nfs/dbraw/zinc/42/06/87/457420687.db2.gz IBGKXCFKERDYKG-YLJYHZDGSA-N 2 0 339.483 3.103 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)[C@@H](C)C1 ZINC000397571582 457488289 /nfs/dbraw/zinc/48/82/89/457488289.db2.gz YVCUWUXNKYSJQI-WSTZPKSXSA-N 2 0 330.516 3.428 10 0 EGAERP FC(F)(F)c1cc(Br)ccc1C[NH2+]C[C@H]1CC[NH2+]C1 ZINC000398349174 457497144 /nfs/dbraw/zinc/49/71/44/457497144.db2.gz RDRNONWHNOQFNM-VIFPVBQESA-N 2 0 337.183 3.167 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000401148735 457524371 /nfs/dbraw/zinc/52/43/71/457524371.db2.gz OZGDXRJMZOAJLO-DOIPELPJSA-N 2 0 327.516 3.019 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2nnn(-c3ccccc3)c2C)CC1 ZINC000361157155 457620442 /nfs/dbraw/zinc/62/04/42/457620442.db2.gz VDPOCBNZJYHXJG-MRXNPFEDSA-N 2 0 341.503 3.348 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000361511678 457762434 /nfs/dbraw/zinc/76/24/34/457762434.db2.gz URYNUQVEOGYRBN-KSZLIROESA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC[NH+]2CCCC[C@@H]2C)CC1 ZINC000358178639 457839150 /nfs/dbraw/zinc/83/91/50/457839150.db2.gz DKMUYKJBOOLOOS-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2c(s1)CCC2 ZINC000358231691 457875385 /nfs/dbraw/zinc/87/53/85/457875385.db2.gz AELXSTIQAPRSGX-AWEZNQCLSA-N 2 0 345.512 3.423 10 0 EGAERP CC1=CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)[C@H](C)C2)CC1 ZINC000358234261 457876140 /nfs/dbraw/zinc/87/61/40/457876140.db2.gz WWDDRZYNOLWIKP-CTNGQTDRSA-N 2 0 327.516 3.281 10 0 EGAERP CCc1oc(C(=O)OC)cc1C[NH+]1CCC(C[NH+](CC)CC)CC1 ZINC000426990715 457932684 /nfs/dbraw/zinc/93/26/84/457932684.db2.gz JQCTVDIZEGHVCR-UHFFFAOYSA-N 2 0 336.476 3.182 10 0 EGAERP C[C@@H]1CCCCC[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000358378123 457963976 /nfs/dbraw/zinc/96/39/76/457963976.db2.gz BQZNABWLPMMHKI-GOSISDBHSA-N 2 0 343.515 3.163 10 0 EGAERP C[N@@H+]1CC[C@@]2(CCN(Cc3cccc(C[NH+]4CCCCC4)c3)C2)C1 ZINC000411760883 457972157 /nfs/dbraw/zinc/97/21/57/457972157.db2.gz UFJXNEDDGCSMTO-OAQYLSRUSA-N 2 0 327.516 3.200 10 0 EGAERP Cc1ccsc1[C@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407295 457983817 /nfs/dbraw/zinc/98/38/17/457983817.db2.gz TZXOQYJIHIRXSG-YJBOKZPZSA-N 2 0 348.512 3.381 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CCC[N@@H+](C2CCC2)C1 ZINC000427451237 457989353 /nfs/dbraw/zinc/98/93/53/457989353.db2.gz PEBYFWXRHCKKSO-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)Nc1ccccc1CC[NH+](C)C ZINC000446593521 458201713 /nfs/dbraw/zinc/20/17/13/458201713.db2.gz OKKPHUOHMPLSRQ-CALCHBBNSA-N 2 0 346.519 3.175 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@@H](C)C1 ZINC000459366565 458345916 /nfs/dbraw/zinc/34/59/16/458345916.db2.gz BEHLCQNDVNKITN-MAUKXSAKSA-N 2 0 340.471 3.011 10 0 EGAERP O=C(NC1CC([NH+]2CCCCC2)C1)c1cccc(C[NH+]2CCCC2)c1 ZINC000376593742 458348014 /nfs/dbraw/zinc/34/80/14/458348014.db2.gz ASBAQRMBPQUBMT-UHFFFAOYSA-N 2 0 341.499 3.029 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+]4CCC[C@H]4C2)C3)cc1 ZINC000373026025 458379447 /nfs/dbraw/zinc/37/94/47/458379447.db2.gz QUHKOOIJGAZTKE-KGWSWXIGSA-N 2 0 339.527 3.398 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000430000791 458389432 /nfs/dbraw/zinc/38/94/32/458389432.db2.gz AFOUIEWQIAUQJU-UHFFFAOYSA-N 2 0 342.487 3.093 10 0 EGAERP COC(=O)CCC[C@@H]1CCC[C@@H]([NH2+]Cc2ccc3c[nH+]cn3c2)C1 ZINC000459656800 458437549 /nfs/dbraw/zinc/43/75/49/458437549.db2.gz HEOJAJZCCHTSHI-DOTOQJQBSA-N 2 0 329.444 3.326 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423495672 458443014 /nfs/dbraw/zinc/44/30/14/458443014.db2.gz CKHKMIZAKXNOLW-UTKZUKDTSA-N 2 0 329.532 3.189 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCCO2 ZINC000423521433 458449704 /nfs/dbraw/zinc/44/97/04/458449704.db2.gz SVARSCYNLJILKI-QLOJAFMTSA-N 2 0 343.515 3.015 10 0 EGAERP CC(C)(C)[C@@H]1CC[C@@H]1[NH2+]CC1(N)CC[NH+](Cc2ccccc2)CC1 ZINC000423521190 458449963 /nfs/dbraw/zinc/44/99/63/458449963.db2.gz FZOPHZQTXWEQAR-MOPGFXCFSA-N 2 0 329.532 3.394 10 0 EGAERP Cc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423525965 458451593 /nfs/dbraw/zinc/45/15/93/458451593.db2.gz YWXIUDJEUAVCEH-CBNMVNINSA-N 2 0 327.516 3.252 10 0 EGAERP Cc1ccc([C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423525969 458451826 /nfs/dbraw/zinc/45/18/26/458451826.db2.gz YWXIUDJEUAVCEH-XVAXZDLZSA-N 2 0 327.516 3.252 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC[C@@H]2CCC[N@H+](C)C2)CC1 ZINC000459773779 458475369 /nfs/dbraw/zinc/47/53/69/458475369.db2.gz IWJKCCCVHJGEPG-FPOVZHCZSA-N 3 0 343.559 3.404 10 0 EGAERP Cc1cc2ncc([C@@H](C)NC3CC([NH+]4CCCCC4)C3)c(C)n2n1 ZINC000373524901 458518496 /nfs/dbraw/zinc/51/84/96/458518496.db2.gz VVUAKYFVAOWYSM-ODIFPOPNSA-N 2 0 327.476 3.014 10 0 EGAERP O[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CCCCOc2ccccc2)CC1 ZINC000438203941 458547984 /nfs/dbraw/zinc/54/79/84/458547984.db2.gz XGBSGXNTNAJBBW-SFTDATJTSA-N 2 0 346.515 3.203 10 0 EGAERP Cc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@H+]2C)[NH+]2CCCC2)o1 ZINC000431780462 458622392 /nfs/dbraw/zinc/62/23/92/458622392.db2.gz YUHPZGYEHXYVPM-ROUUACIJSA-N 2 0 347.503 3.106 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2CC[C@]3(C2)CCC[NH2+]C3)cc1)C(C)C ZINC000518984984 458905752 /nfs/dbraw/zinc/90/57/52/458905752.db2.gz LFAFHKKBAXXCIJ-OAQYLSRUSA-N 2 0 343.515 3.133 10 0 EGAERP Fc1cccc(F)c1-c1ncc(C[NH2+][C@H]2CCc3nc[nH]c3C2)s1 ZINC000521187811 459127342 /nfs/dbraw/zinc/12/73/42/459127342.db2.gz WUQWRVAZYHJNGK-JTQLQIEISA-N 2 0 346.406 3.459 10 0 EGAERP CC(C)(C)c1ccc(CC[NH2+]CCCC[N@@H+]2CCC[C@@H]2CO)cc1 ZINC000558566422 459174722 /nfs/dbraw/zinc/17/47/22/459174722.db2.gz OMHVHWXXNMQNRT-HXUWFJFHSA-N 2 0 332.532 3.353 10 0 EGAERP COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]CC[C@@H]1C[C@@H](C)[N@H+](Cc2ccccc2)C1 ZINC000594940314 459184855 /nfs/dbraw/zinc/18/48/55/459184855.db2.gz ZMEPOWHOOPRPDC-QQXMDYFESA-N 2 0 344.499 3.074 10 0 EGAERP CC1CC[NH+](CCN[C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000480615844 459210185 /nfs/dbraw/zinc/21/01/85/459210185.db2.gz UANUXUCLEMEBHT-CTNGQTDRSA-N 2 0 329.532 3.219 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000482893744 459329567 /nfs/dbraw/zinc/32/95/67/459329567.db2.gz CAFOLQXBEKGEML-TYPHKJRUSA-N 2 0 329.532 3.361 10 0 EGAERP COCCCOc1cc(C)ccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000560539361 459369575 /nfs/dbraw/zinc/36/95/75/459369575.db2.gz IKTRBRWSPJODBJ-VAMGGRTRSA-N 2 0 346.515 3.373 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+]C2CC[NH+](CC3CC3)CC2)n1 ZINC000582620525 459397705 /nfs/dbraw/zinc/39/77/05/459397705.db2.gz IWFDTVOTVSUJQI-UHFFFAOYSA-N 2 0 327.394 3.107 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@H](CC(C)C)C1 ZINC000542313011 459546642 /nfs/dbraw/zinc/54/66/42/459546642.db2.gz KKAHFAXCJSMMFR-IEBWSBKVSA-N 2 0 328.460 3.259 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccc(C)cc3)CCC2)CC[NH2+]CC1 ZINC000592470867 459608510 /nfs/dbraw/zinc/60/85/10/459608510.db2.gz NJRAPYDMFXDWBC-QGZVFWFLSA-N 2 0 344.499 3.285 10 0 EGAERP Fc1cc(CN2CC[C@]3(C2)CCC[NH2+]C3)ccc1OCC(F)(F)F ZINC000573090840 459624916 /nfs/dbraw/zinc/62/49/16/459624916.db2.gz MSPQBLURKPAERQ-MRXNPFEDSA-N 2 0 346.368 3.342 10 0 EGAERP CC(C)C[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C(=O)OC(C)(C)C ZINC000562969023 459682301 /nfs/dbraw/zinc/68/23/01/459682301.db2.gz ZIPULTMLGRXJOI-QGZVFWFLSA-N 2 0 338.536 3.454 10 0 EGAERP Cc1cc(C[NH2+][C@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)ccn1 ZINC000527654464 459685011 /nfs/dbraw/zinc/68/50/11/459685011.db2.gz QJFISXJDYAVABN-MRXNPFEDSA-N 2 0 342.462 3.132 10 0 EGAERP C[C@@H]1C[C@@H](NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669797 459692829 /nfs/dbraw/zinc/69/28/29/459692829.db2.gz ZCJMTXHDQHFPCB-KOLCDFICSA-N 2 0 333.220 3.300 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2)ccc1F ZINC000584775841 459800423 /nfs/dbraw/zinc/80/04/23/459800423.db2.gz UEMPQHGYDDPCSW-UHFFFAOYSA-N 2 0 329.419 3.006 10 0 EGAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1)CS2 ZINC000574811680 459875728 /nfs/dbraw/zinc/87/57/28/459875728.db2.gz NYLZCOQUUIPJNB-QBPKDAKJSA-N 2 0 332.513 3.440 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@H]([NH+]3CCCC3)C2)o1 ZINC000593742183 459970414 /nfs/dbraw/zinc/97/04/14/459970414.db2.gz NVZKGWPMHGFFGG-KRWDZBQOSA-N 2 0 347.503 3.212 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625133323 460044203 /nfs/dbraw/zinc/04/42/03/460044203.db2.gz ZJDFWUWGHFHJAU-UHFFFAOYSA-N 2 0 346.515 3.026 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625317761 460123523 /nfs/dbraw/zinc/12/35/23/460123523.db2.gz LRCIQEBIGZFSHR-UHFFFAOYSA-N 2 0 326.525 3.016 10 0 EGAERP CCC[C@H]([NH2+]C[C@H](C(C)C)N1CC[NH+](C)CC1)c1cc(C)ccn1 ZINC000631565729 460445910 /nfs/dbraw/zinc/44/59/10/460445910.db2.gz LGHZNSIKVFPJKY-AZUAARDMSA-N 2 0 332.536 3.093 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[NH2+]CC(C)(C)C2)cc(Cl)c1OC ZINC000634733212 460497391 /nfs/dbraw/zinc/49/73/91/460497391.db2.gz ZTQVSDLIABZPEP-CYBMUJFWSA-N 2 0 326.868 3.225 10 0 EGAERP COc1ccc(C[NH2+]C[C@H]2CCC[N@@H+](C(C)C)C2)cc1OC1CC1 ZINC000623403820 460530271 /nfs/dbraw/zinc/53/02/71/460530271.db2.gz IQVNUSINOCZPCO-QGZVFWFLSA-N 2 0 332.488 3.446 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629538734 460801389 /nfs/dbraw/zinc/80/13/89/460801389.db2.gz OMZHLEQKKKYKER-HOCLYGCPSA-N 2 0 330.394 3.297 10 0 EGAERP Clc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1)CCC2 ZINC000629550033 460803783 /nfs/dbraw/zinc/80/37/83/460803783.db2.gz WWXOWCJMHHYPDA-ZSYWTGECSA-N 2 0 334.891 3.464 10 0 EGAERP FC(F)(F)Cc1ccccc1C[NH2+][C@@H]1CCOC[C@H]1[C@@H]1CCC[NH2+]1 ZINC000629555532 460806019 /nfs/dbraw/zinc/80/60/19/460806019.db2.gz WIJRXKMLKRNZFD-YESZJQIVSA-N 2 0 342.405 3.038 10 0 EGAERP Clc1cccc2c(CC[NH2+][C@@H]3CCOC[C@H]3[C@H]3CCC[NH2+]3)c[nH]c21 ZINC000629556171 460806191 /nfs/dbraw/zinc/80/61/91/460806191.db2.gz LUCNAZKWNDDXAF-CGTJXYLNSA-N 2 0 347.890 3.111 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@@H]1CC[N@H+](CC)C1 ZINC000617924944 461024756 /nfs/dbraw/zinc/02/47/56/461024756.db2.gz BMNGAAQGRYGCOW-HXUWFJFHSA-N 2 0 343.515 3.229 10 0 EGAERP Cc1ccc2cc(C[N@@H+](C)[C@H]3CCN(C4CC[NH+](C)CC4)C3)[nH]c2c1 ZINC000668162255 461148037 /nfs/dbraw/zinc/14/80/37/461148037.db2.gz TULMXZUFLQCWJD-FQEVSTJZSA-N 2 0 340.515 3.077 10 0 EGAERP C[N@H+](CCc1ccccc1)[C@@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000662307003 461181581 /nfs/dbraw/zinc/18/15/81/461181581.db2.gz UCWLAIPNGCVEPW-HSZRJFAPSA-N 2 0 349.522 3.081 10 0 EGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1 ZINC000662319403 461190783 /nfs/dbraw/zinc/19/07/83/461190783.db2.gz MHWLAFXUNPNGTI-LJQANCHMSA-N 2 0 334.504 3.115 10 0 EGAERP COCC1([NH2+]C/C=C\C[NH2+]C2(COC)CCCCC2)CCCCC1 ZINC000662341748 461200475 /nfs/dbraw/zinc/20/04/75/461200475.db2.gz UWRRLSSWMZNNTR-KTKRTIGZSA-N 2 0 338.536 3.420 10 0 EGAERP C[NH+](C)C1(CNC(=O)c2ccc3c(c2)[C@@H](C[NH3+])CCC3)CCCCC1 ZINC000662442745 461244731 /nfs/dbraw/zinc/24/47/31/461244731.db2.gz SSGPBTIQLOCKDQ-GOSISDBHSA-N 2 0 343.515 3.060 10 0 EGAERP Clc1cccc(CC[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000668440417 461282399 /nfs/dbraw/zinc/28/23/99/461282399.db2.gz MKFKANNJIXQZKW-UHFFFAOYSA-N 2 0 336.907 3.363 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662721171 461357701 /nfs/dbraw/zinc/35/77/01/461357701.db2.gz KULUUBGGEVKSLJ-INIZCTEOSA-N 2 0 341.499 3.003 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655701760 461374722 /nfs/dbraw/zinc/37/47/22/461374722.db2.gz ZLNCKRQSOCSILU-MOPGFXCFSA-N 2 0 347.572 3.463 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC(CC)([NH+](C)C)CC1)c1ccccc1 ZINC000634121208 461425433 /nfs/dbraw/zinc/42/54/33/461425433.db2.gz UKDNFZWUJHYMJN-SFHVURJKSA-N 2 0 331.504 3.012 10 0 EGAERP CCC1([NH+](C)C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000634125860 461430303 /nfs/dbraw/zinc/43/03/03/461430303.db2.gz ZLRWBPJVPLOJIZ-GOSISDBHSA-N 2 0 335.536 3.116 10 0 EGAERP OCCCOC1CC[NH+](Cc2cccc(C[NH+]3CCCCC3)c2)CC1 ZINC000663097312 461456016 /nfs/dbraw/zinc/45/60/16/461456016.db2.gz WGZUCLXYJSFALS-UHFFFAOYSA-N 2 0 346.515 3.036 10 0 EGAERP Cc1c([C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000655805093 461464439 /nfs/dbraw/zinc/46/44/39/461464439.db2.gz BQNYBKMTSCMWDD-RVSPLBMKSA-N 2 0 347.894 3.220 10 0 EGAERP CC(C)NC(=O)Nc1ccc([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655806690 461465497 /nfs/dbraw/zinc/46/54/97/461465497.db2.gz ZLTCULFXJQBPFY-RKVPGOIHSA-N 2 0 332.492 3.207 10 0 EGAERP COc1ccc(C(C)C)cc1C[N@@H+]1C[C@@H](C[NH3+])C2(C1)CCOCC2 ZINC000655941016 461546515 /nfs/dbraw/zinc/54/65/15/461546515.db2.gz KIWHXPJQAUXDIL-GOSISDBHSA-N 2 0 332.488 3.006 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]C[C@H]2CCOc3ccccc32)[C@H](c2ccccc2)C1 ZINC000647249102 461587602 /nfs/dbraw/zinc/58/76/02/461587602.db2.gz BHRFVLDHQWSSBY-SBHAEUEKSA-N 2 0 336.479 3.488 10 0 EGAERP CC(C)C[N@H+](C)CCCNC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC000650178766 461625507 /nfs/dbraw/zinc/62/55/07/461625507.db2.gz DFJMMIMPKLASHC-UHFFFAOYSA-N 2 0 345.487 3.202 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CC23CCSCC3)cc1 ZINC000643294040 461671230 /nfs/dbraw/zinc/67/12/30/461671230.db2.gz GOTGVSQWYRFUCZ-KRWDZBQOSA-N 2 0 334.529 3.250 10 0 EGAERP CC(C)[NH+]1CCC(NC(=O)C[NH2+][C@H](CC2CC2)c2ccccc2)CC1 ZINC000663598551 461721123 /nfs/dbraw/zinc/72/11/23/461721123.db2.gz VBJYZVVKKATRQT-HXUWFJFHSA-N 2 0 343.515 3.106 10 0 EGAERP Brc1ccc2c(c1)[C@@H]([NH2+][C@@H]1CCC[NH2+]CC1)CCCO2 ZINC000643522512 461752253 /nfs/dbraw/zinc/75/22/53/461752253.db2.gz OJMDYUHVOUWPRG-HIFRSBDPSA-N 2 0 339.277 3.395 10 0 EGAERP C[NH+](C)Cc1ccc(-c2noc(C[C@H]3[NH2+]Cc4ccccc43)n2)cc1 ZINC000656560007 461784719 /nfs/dbraw/zinc/78/47/19/461784719.db2.gz FBNRPKOQVDBWRC-GOSISDBHSA-N 2 0 334.423 3.185 10 0 EGAERP c1cnn(C2CC([NH2+]C[C@@H]3CCCC[N@H+](Cc4ccccc4)C3)C2)c1 ZINC000639196393 461795918 /nfs/dbraw/zinc/79/59/18/461795918.db2.gz ZPLCYTFYLCPKEF-MWXLCCTBSA-N 2 0 338.499 3.479 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC3(CC(F)C3)C2)CC1 ZINC000656695941 461846028 /nfs/dbraw/zinc/84/60/28/461846028.db2.gz ZTUQLDUUGMQYAM-UHFFFAOYSA-N 2 0 331.479 3.153 10 0 EGAERP c1ccc(-c2noc(CCC[N@@H+]3CCC[C@@H]([C@H]4CCC[NH2+]4)C3)n2)cc1 ZINC000647901676 461876498 /nfs/dbraw/zinc/87/64/98/461876498.db2.gz STWRMUBAUZLMJC-QZTJIDSGSA-N 2 0 340.471 3.133 10 0 EGAERP Cc1nn(-c2ccccc2)cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656784771 461893742 /nfs/dbraw/zinc/89/37/42/461893742.db2.gz HDSSUQDXSDJGLD-LJQANCHMSA-N 2 0 338.499 3.392 10 0 EGAERP Cc1ncc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)n1-c1ccccc1 ZINC000656786715 461898424 /nfs/dbraw/zinc/89/84/24/461898424.db2.gz WWHHJZPPXLACCN-LJQANCHMSA-N 2 0 338.499 3.392 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2ccc(Br)c3cccnc23)CC1 ZINC000650713103 461906411 /nfs/dbraw/zinc/90/64/11/461906411.db2.gz GGWNBSIPFRCEGP-UHFFFAOYSA-N 2 0 334.261 3.216 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1ccc(F)cc1 ZINC000650719086 461911717 /nfs/dbraw/zinc/91/17/17/461911717.db2.gz CPUISRPWHZETHN-AWEZNQCLSA-N 2 0 329.419 3.052 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(OC)c(OC(F)F)c1 ZINC000650718736 461911893 /nfs/dbraw/zinc/91/18/93/461911893.db2.gz VMQSABKIHHMYBH-UHFFFAOYSA-N 2 0 336.382 3.306 10 0 EGAERP Fc1ccc(-n2ccc(C[N@@H+]3CCC[C@@H]([C@@H]4CCC[NH2+]C4)C3)n2)cc1 ZINC000647977546 461918289 /nfs/dbraw/zinc/91/82/89/461918289.db2.gz DDTLTYYYMRVUNX-IAGOWNOFSA-N 2 0 342.462 3.223 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCCOc3cc(Br)ccc32)CC1 ZINC000650745584 461928928 /nfs/dbraw/zinc/92/89/28/461928928.db2.gz JWLQEOWGGBMACU-CQSZACIVSA-N 2 0 339.277 3.381 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)Cc1ccc(OC)c(OC)c1C ZINC000650755544 461936787 /nfs/dbraw/zinc/93/67/87/461936787.db2.gz HKGNORRXTGHWOJ-HNNXBMFYSA-N 2 0 342.483 3.452 10 0 EGAERP CCc1ccc([C@H](C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)N(C)C)cc1 ZINC000657286306 462018904 /nfs/dbraw/zinc/01/89/04/462018904.db2.gz OKQPAXDCMLBUGN-NRFANRHFSA-N 2 0 349.482 3.222 10 0 EGAERP CC1CC[NH+](Cc2ccc(C[NH2+]Cc3cnn4c3CCC4)cc2)CC1 ZINC000657297318 462025247 /nfs/dbraw/zinc/02/52/47/462025247.db2.gz AJRJUFPAWXTUKH-UHFFFAOYSA-N 2 0 338.499 3.351 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657308659 462032426 /nfs/dbraw/zinc/03/24/26/462032426.db2.gz VFHWSUOZQBNULH-UHFFFAOYSA-N 2 0 329.532 3.461 10 0 EGAERP c1cc(CNc2ccc(C[NH+]3CCCC3)cc2)n(-c2cc[nH+]cc2)n1 ZINC000657321020 462043878 /nfs/dbraw/zinc/04/38/78/462043878.db2.gz LONWBWJGZLPVBJ-UHFFFAOYSA-N 2 0 333.439 3.475 10 0 EGAERP c1cc(C[NH2+][C@H]2CCCN(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657362692 462071416 /nfs/dbraw/zinc/07/14/16/462071416.db2.gz GCMOTSKIWJBOJQ-KRWDZBQOSA-N 2 0 333.439 3.026 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+]Cc1cccc(C2CCCC2)c1 ZINC000657439134 462123796 /nfs/dbraw/zinc/12/37/96/462123796.db2.gz UVMVPVCIASQKDT-GOSISDBHSA-N 2 0 329.532 3.460 10 0 EGAERP CCc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c2ccccc2[nH+]1 ZINC000664659283 462142405 /nfs/dbraw/zinc/14/24/05/462142405.db2.gz WMYVNWSHYHVKPG-KRWDZBQOSA-N 2 0 327.472 3.344 10 0 EGAERP Clc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)s1 ZINC000657535784 462170305 /nfs/dbraw/zinc/17/03/05/462170305.db2.gz CBYKIZKKYVXGHX-UHFFFAOYSA-N 2 0 328.909 3.382 10 0 EGAERP Fc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)ccc1Cl ZINC000657535167 462170727 /nfs/dbraw/zinc/17/07/27/462170727.db2.gz HCOYFFDBVLSQTM-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP Fc1ccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1Cl ZINC000657536267 462170812 /nfs/dbraw/zinc/17/08/12/462170812.db2.gz ZYWLFJJABUVBFL-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP OC[C@H]1CCC[N@@H+]1Cc1ccccc1C[NH2+][C@@H]1CCCSCC1 ZINC000657970128 462331899 /nfs/dbraw/zinc/33/18/99/462331899.db2.gz YGOGOEQTVGPUQW-RTBURBONSA-N 2 0 334.529 3.019 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000665281475 462383094 /nfs/dbraw/zinc/38/30/94/462383094.db2.gz DQCQLARCYMAXGH-UWHLTILDSA-N 3 0 329.532 3.250 10 0 EGAERP CC[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H](CCC[NH3+])COC ZINC000665283325 462383530 /nfs/dbraw/zinc/38/35/30/462383530.db2.gz LORQGFZZBHTTRK-CVEARBPZSA-N 2 0 343.309 3.114 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H](C)c2cc(C)sc2C)CC1 ZINC000665285582 462384726 /nfs/dbraw/zinc/38/47/26/462384726.db2.gz QPNXYFOZCHSXQN-CQSZACIVSA-N 2 0 337.533 3.006 10 0 EGAERP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138462 462401951 /nfs/dbraw/zinc/40/19/51/462401951.db2.gz NUHXMMSMYUJJAS-WMLDXEAASA-N 2 0 346.496 3.174 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCC34CCCC4)cc2)C1 ZINC000658140613 462404008 /nfs/dbraw/zinc/40/40/08/462404008.db2.gz VISKHWQJGZATFB-VQTJNVASSA-N 2 0 328.500 3.456 10 0 EGAERP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)cc1 ZINC000658146509 462406898 /nfs/dbraw/zinc/40/68/98/462406898.db2.gz VLRWECKIELZEKP-JXFKEZNVSA-N 2 0 340.467 3.113 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](Cc2ccncc2)CC1)c1cn2ccccc2n1 ZINC000658167936 462416583 /nfs/dbraw/zinc/41/65/83/462416583.db2.gz USVGBXHNQFDINT-QGZVFWFLSA-N 2 0 349.482 3.292 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@]3(CC3(F)F)C2)CC1 ZINC000652063148 462422449 /nfs/dbraw/zinc/42/24/49/462422449.db2.gz FRFGXPWTECBMIN-IBGZPJMESA-N 2 0 349.469 3.450 10 0 EGAERP OC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000658284237 462456034 /nfs/dbraw/zinc/45/60/34/462456034.db2.gz GCJODBYXYQEISL-NNRACAPJSA-N 2 0 342.527 3.428 10 0 EGAERP C[C@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652246060 462488133 /nfs/dbraw/zinc/48/81/33/462488133.db2.gz KEWKLUZPALVDOP-HRAATJIYSA-N 2 0 346.515 3.483 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H]1CCN(C(=O)[C@@H]2CCCCCC[C@@H]2[NH3+])C1 ZINC000646106135 462518953 /nfs/dbraw/zinc/51/89/53/462518953.db2.gz PSQLKZYOCIIILO-AQNXPRMDSA-N 2 0 343.515 3.017 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(OCC3CC3)cc2)CC1 ZINC000191338035 534076565 /nfs/dbraw/zinc/07/65/65/534076565.db2.gz WBHPLKCDFGEMLC-KRWDZBQOSA-N 2 0 346.515 3.000 10 0 EGAERP CC[NH+](CC)[C@@H](C)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132877646 528232517 /nfs/dbraw/zinc/23/25/17/528232517.db2.gz ZHMAZBNIMJDJRC-SFHVURJKSA-N 2 0 346.563 3.037 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1Cc1ccccc1)C1CCCCC1 ZINC000342809159 536383568 /nfs/dbraw/zinc/38/35/68/536383568.db2.gz HPALZTWXQGWXCN-FQEVSTJZSA-N 2 0 343.515 3.032 10 0 EGAERP Fc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)ccc1OC(F)F ZINC000188420119 547148490 /nfs/dbraw/zinc/14/84/90/547148490.db2.gz IVDWTYRPBYWDKQ-ZDUSSCGKSA-N 2 0 325.334 3.288 10 0 EGAERP c1cc(C[NH2+][C@H]2CC[N@@H+]3CCC[C@H]3C2)cc(COC2CCOCC2)c1 ZINC000339068065 547567746 /nfs/dbraw/zinc/56/77/46/547567746.db2.gz KBCJXOVKTKFLBK-PMACEKPBSA-N 2 0 344.499 3.099 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(C(=O)NC3CC3)cc2)CC1 ZINC000678138912 549408042 /nfs/dbraw/zinc/40/80/42/549408042.db2.gz AILXMISMCLETFP-UHFFFAOYSA-N 2 0 343.515 3.133 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@H]2CCc3ccccc32)CC1 ZINC000682068696 550067793 /nfs/dbraw/zinc/06/77/93/550067793.db2.gz FAFDBHROPOKTIR-UEXGIBASSA-N 2 0 327.516 3.164 10 0 EGAERP Cn1nccc1[C@H]1CCCC[N@@H+]1Cc1ccc(OCC[NH+](C)C)cc1 ZINC000684967660 550389443 /nfs/dbraw/zinc/38/94/43/550389443.db2.gz JXAKLRDYOYSMMZ-HXUWFJFHSA-N 2 0 342.487 3.088 10 0 EGAERP [NH3+]CCC1CC[NH+](Cc2c[nH]c3ccc(Br)cc23)CC1 ZINC000070187531 1292255597 /nfs/dbraw/zinc/25/55/97/1292255597.db2.gz QJANQLCTDVXKDU-UHFFFAOYSA-N 2 0 336.277 3.491 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+]Cc2c(C)oc3ccccc32)CC1 ZINC000155852872 1294115421 /nfs/dbraw/zinc/11/54/21/1294115421.db2.gz HIHDFYZINCEIDR-MRXNPFEDSA-N 2 0 329.488 3.104 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2cc(Br)cc(F)c2[O-])C1 ZINC000185059804 1295238662 /nfs/dbraw/zinc/23/86/62/1295238662.db2.gz KWOVQJCKYYYFBT-QWRGUYRKSA-N 2 0 345.256 3.286 10 0 EGAERP CC(C)[NH+]1CCC(NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000236602552 1296191837 /nfs/dbraw/zinc/19/18/37/1296191837.db2.gz FNLFNVFYXKOEJQ-UHFFFAOYSA-N 3 0 345.531 3.124 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000872035790 1296685500 /nfs/dbraw/zinc/68/55/00/1296685500.db2.gz NJTXJVVIUVEZFJ-CTNGQTDRSA-N 2 0 346.515 3.456 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]C[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310255644 1297093360 /nfs/dbraw/zinc/09/33/60/1297093360.db2.gz YCKNIWNRLAGHAU-LJQANCHMSA-N 2 0 339.524 3.238 10 0 EGAERP Nc1ncc(C[N@@H+]2CCC3(C2)CC[NH+](Cc2ccccc2)CC3)s1 ZINC000310507807 1297094775 /nfs/dbraw/zinc/09/47/75/1297094775.db2.gz KXECALKOVMIRBD-UHFFFAOYSA-N 2 0 342.512 3.213 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]([NH+](C)C)C2)CCN1C(=O)OC(C)(C)C ZINC000715560124 1298280444 /nfs/dbraw/zinc/28/04/44/1298280444.db2.gz XJRGPKFSYUQGHY-QBPKDAKJSA-N 2 0 339.524 3.237 10 0 EGAERP C[C@H]([NH2+][C@H]1CCC[N@H+](C)CC1)C1CCN(C(=O)OC(C)(C)C)CC1 ZINC000716658217 1298299959 /nfs/dbraw/zinc/29/99/59/1298299959.db2.gz JENIIHPZGMCSMT-RDJZCZTQSA-N 2 0 339.524 3.096 10 0 EGAERP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886609559 1303521986 /nfs/dbraw/zinc/52/19/86/1303521986.db2.gz WKIKRHUXDIWEEZ-VLQCVTHLSA-N 2 0 328.500 3.302 10 0 EGAERP CC(C)(C)[NH+]1CCC([NH2+]CC[C@@H]2CCC3(CCOCC3)CO2)CC1 ZINC000886709202 1303573793 /nfs/dbraw/zinc/57/37/93/1303573793.db2.gz MKPTVTRMQANFLI-SFHVURJKSA-N 2 0 338.536 3.205 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2Cc1cc2c(cccc2O)s1 ZINC000894096542 1306215774 /nfs/dbraw/zinc/21/57/74/1306215774.db2.gz VWEKFFKBIWILTP-MZMPZRCHSA-N 2 0 346.496 3.290 10 0 EGAERP Cc1noc2ncc(C[NH2+]Cc3ccc(C[NH+]4CCCC4)cc3)cc12 ZINC000894154401 1306248737 /nfs/dbraw/zinc/24/87/37/1306248737.db2.gz WHHYIBUAWRPSAV-UHFFFAOYSA-N 2 0 336.439 3.417 10 0 EGAERP COC(=O)c1cc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cs1 ZINC000894269470 1306313886 /nfs/dbraw/zinc/31/38/86/1306313886.db2.gz OJALPBWHDYTRBQ-UHFFFAOYSA-N 2 0 336.432 3.025 10 0 EGAERP 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OWDZGNWNVAQEBW-FUHWJXTLSA-N 2 0 337.467 3.209 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[N@@H+]2CCc3cc(Br)c(F)cc3C2)C1 ZINC000923527097 1322769721 /nfs/dbraw/zinc/76/97/21/1322769721.db2.gz XVFXOCSWAXLPRF-GXFFZTMASA-N 2 0 327.241 3.074 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000924562236 1323056216 /nfs/dbraw/zinc/05/62/16/1323056216.db2.gz BDSQUGTYWJIIJD-KRWDZBQOSA-N 2 0 341.503 3.428 10 0 EGAERP CC[NH+]1CCN(Cc2ccccc2C[NH2+][C@H](C)c2ccns2)CC1 ZINC000924695014 1323115850 /nfs/dbraw/zinc/11/58/50/1323115850.db2.gz QGGHDZNTIACOMB-MRXNPFEDSA-N 2 0 344.528 3.131 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@@H](C)C[NH+]2CCCCC2)n(C)n1 ZINC000924722259 1323133467 /nfs/dbraw/zinc/13/34/67/1323133467.db2.gz QQNZVBPZJRAVMN-IMFGXOCKSA-N 2 0 332.536 3.151 10 0 EGAERP COc1ccccc1[C@H](O)C[NH2+][C@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924736348 1323140616 /nfs/dbraw/zinc/14/06/16/1323140616.db2.gz WSTLKHPTAHKGMS-DNVCBOLYSA-N 2 0 328.456 3.141 10 0 EGAERP 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ZINC000925501744 1325179130 /nfs/dbraw/zinc/17/91/30/1325179130.db2.gz BZMHQLUJGPHLHW-UFYCRDLUSA-N 2 0 343.515 3.082 10 0 EGAERP COc1ccccc1[C@@H](CN[C@H]1CC[NH2+]C12CCCC2)[NH+]1CCCC1 ZINC000925500155 1325179332 /nfs/dbraw/zinc/17/93/32/1325179332.db2.gz AHFRZMIBLLAZMO-QUCCMNQESA-N 2 0 343.515 3.096 10 0 EGAERP COc1ccc([C@H](CN[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)[NH+]2CCCC2)cc1 ZINC000925509370 1325183414 /nfs/dbraw/zinc/18/34/14/1325183414.db2.gz MLFVDQYVCALBSL-HBFSDRIKSA-N 2 0 345.531 3.328 10 0 EGAERP CCOc1ccc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1OC ZINC000925544374 1325199916 /nfs/dbraw/zinc/19/99/16/1325199916.db2.gz QLRFGVRTYIBXEY-QZTJIDSGSA-N 2 0 332.488 3.352 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@@H](c2cccc(Cl)c2)N2CCCC2)C12CCC2 ZINC000925542563 1325200743 /nfs/dbraw/zinc/20/07/43/1325200743.db2.gz HVAXWOAKFBDMDU-RCCFBDPRSA-N 2 0 333.907 3.336 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925545639 1325201513 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UDPYVNKROOBIQW-RTBURBONSA-N 2 0 344.499 3.148 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3ccccc3Cl)CCOCC2)C12CCC2 ZINC000925594271 1325224915 /nfs/dbraw/zinc/22/49/15/1325224915.db2.gz QDSLWMCOSWIOHD-IAGOWNOFSA-N 2 0 334.891 3.248 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]CC[C@@H]1C[C@H](C)[N@H+](Cc2ccccc2)C1 ZINC000925615154 1325231075 /nfs/dbraw/zinc/23/10/75/1325231075.db2.gz MQNFMAWPYVATND-UHOSZYNNSA-N 2 0 332.488 3.028 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]C2(Cc3ccccc3Br)CC2)C12CCC2 ZINC000925671483 1325257185 /nfs/dbraw/zinc/25/71/85/1325257185.db2.gz CMPBHCUWOLYROU-LSDHHAIUSA-N 2 0 335.289 3.384 10 0 EGAERP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@H]3COCC[C@@H]3C2)cc1 ZINC000925703625 1325265555 /nfs/dbraw/zinc/26/55/55/1325265555.db2.gz DJTFDJQKYCRDFK-QIYLELGZSA-N 2 0 346.490 3.314 10 0 EGAERP CC1(C)C[C@@H](NC[C@@H]2C[NH2+]CC[C@@H]2c2ccc(F)cc2)C[C@@H]([NH3+])C1 ZINC000925703100 1325266268 /nfs/dbraw/zinc/26/62/68/1325266268.db2.gz CAZDSOXDOLBNQF-WZGPROSRSA-N 2 0 333.495 3.014 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1325327858 /nfs/dbraw/zinc/32/78/58/1325327858.db2.gz ZWPDRCXNJNYJDK-AWEZNQCLSA-N 2 0 327.875 3.205 10 0 EGAERP Cc1ccc2cc([C@@H](C)[NH2+]C[C@@H]3CC4(CC[NH2+]CC4)C(=O)O3)oc2c1 ZINC000925850737 1325329178 /nfs/dbraw/zinc/32/91/78/1325329178.db2.gz PPYWGECWBRJYGC-ZBFHGGJFSA-N 2 0 342.439 3.077 10 0 EGAERP CCC[C@@H](CCc1ccccc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925851160 1325331029 /nfs/dbraw/zinc/33/10/29/1325331029.db2.gz MMWJTVOEQXKZQS-RBUKOAKNSA-N 2 0 344.499 3.063 10 0 EGAERP O=C1O[C@H](C[NH2+][C@H](CC2CCC2)c2ccccc2)CC12CC[NH2+]CC2 ZINC000925859743 1325334069 /nfs/dbraw/zinc/33/40/69/1325334069.db2.gz XZYNIVDJJRXXAO-RBUKOAKNSA-N 2 0 342.483 3.193 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000926551409 1327612312 /nfs/dbraw/zinc/61/23/12/1327612312.db2.gz STCXQCOZHZPLDA-XICAJGIJSA-N 2 0 328.500 3.323 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+]2CCC2)CC1)c1ccc([S@](C)=O)cc1 ZINC000927036359 1327826311 /nfs/dbraw/zinc/82/63/11/1327826311.db2.gz ANSPJUYAPJKXSD-OUZQEBMASA-N 2 0 334.529 3.482 10 0 EGAERP [NH3+]C1(C[NH2+][C@@H]2CCCc3cc(SC(F)F)ccc32)CCOCC1 ZINC000863541533 1329561752 /nfs/dbraw/zinc/56/17/52/1329561752.db2.gz NYOABAIXACOBOA-OAHLLOKOSA-N 2 0 342.455 3.476 10 0 EGAERP CC(=O)NCC1CCC([NH2+]CC2([NH+]3CCCCC3)CCCCC2)CC1 ZINC000865403186 1329691745 /nfs/dbraw/zinc/69/17/45/1329691745.db2.gz SPDPCQRONOCJTO-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+]C2CCC(CNC(C)=O)CC2)cc1 ZINC000865404970 1329692131 /nfs/dbraw/zinc/69/21/31/1329692131.db2.gz BGLHPXYLCYQEBF-UHFFFAOYSA-N 2 0 345.531 3.313 10 0 EGAERP CC(=O)NCC1CCC([NH2+]CC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)CC1 ZINC000865428645 1329695960 /nfs/dbraw/zinc/69/59/60/1329695960.db2.gz XYPHPMWBTFXZNR-FDCMFXBMSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(O[C@@H]3CCOC3)cc2)CC1 ZINC000865765137 1329736590 /nfs/dbraw/zinc/73/65/90/1329736590.db2.gz XDNIARKJLWCHSM-SKINQDTJSA-N 2 0 332.488 3.207 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccc3c[nH]nc3c2)(c2ccccc2)CC1 ZINC000865773982 1329736889 /nfs/dbraw/zinc/73/68/89/1329736889.db2.gz LDQNALKTAJQMQZ-UHFFFAOYSA-N 2 0 334.467 3.316 10 0 EGAERP COCC1CCC([NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)CC1 ZINC000865775626 1329737127 /nfs/dbraw/zinc/73/71/27/1329737127.db2.gz ZPLMRPRRXRVJHK-UHFFFAOYSA-N 2 0 330.516 3.445 10 0 EGAERP C[C@@H](CCc1cccnc1)[NH2+]Cc1ccccc1OCC[NH+](C)C ZINC000866248629 1330085055 /nfs/dbraw/zinc/08/50/55/1330085055.db2.gz QEWRDRMLMGMJKJ-KRWDZBQOSA-N 2 0 327.472 3.133 10 0 EGAERP CC[NH+](CC)CCOCC[NH2+][C@@H](C)c1cc2c(ccnc2Cl)o1 ZINC000866338038 1330098344 /nfs/dbraw/zinc/09/83/44/1330098344.db2.gz NPYFOSFUWAVLDI-ZDUSSCGKSA-N 2 0 339.867 3.490 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(-n2cncn2)cc1 ZINC000866517106 1330121154 /nfs/dbraw/zinc/12/11/54/1330121154.db2.gz WOIOQLYBVRBJQY-DMKPSLHHSA-N 2 0 327.476 3.181 10 0 EGAERP Cc1ccccc1CN(C)C(=O)[C@@H](C)[N@@H+]1CC[C@@](C[NH3+])(C(C)(C)C)C1 ZINC000866705391 1330142948 /nfs/dbraw/zinc/14/29/48/1330142948.db2.gz YZCUDLJWMYSZDL-UTKZUKDTSA-N 2 0 345.531 3.039 10 0 EGAERP [NH3+][C@@H]1C[C@H]1c1ccc(NC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000868185376 1330259893 /nfs/dbraw/zinc/25/98/93/1330259893.db2.gz AUBHXBHZPPXLCS-RBUKOAKNSA-N 2 0 344.503 3.279 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001323244598 1387316896 /nfs/dbraw/zinc/31/68/96/1387316896.db2.gz ARTWVFOEFHVGGX-MOPGFXCFSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+]1CCCCC1 ZINC001323358267 1387350874 /nfs/dbraw/zinc/35/08/74/1387350874.db2.gz RWKBVDAYHMYIAJ-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001323443225 1387370845 /nfs/dbraw/zinc/37/08/45/1387370845.db2.gz PVWWJYAOFIYKTE-QGZVFWFLSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001323641812 1387415827 /nfs/dbraw/zinc/41/58/27/1387415827.db2.gz KMLDJJHFZGVVOV-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CC[N@H+](C)C1 ZINC001323670981 1387421420 /nfs/dbraw/zinc/42/14/20/1387421420.db2.gz WUQOAKINXBAITI-QBUWPKIASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001323736058 1387437593 /nfs/dbraw/zinc/43/75/93/1387437593.db2.gz IYGRJHCFKGKCIH-LJQANCHMSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001324099391 1387542066 /nfs/dbraw/zinc/54/20/66/1387542066.db2.gz VUYWTFBBDCLVCM-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001324557772 1387673278 /nfs/dbraw/zinc/67/32/78/1387673278.db2.gz UKZYISKQXCWZGK-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)(C(=O)N1CC[C@](C)(C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001324769126 1387764436 /nfs/dbraw/zinc/76/44/36/1387764436.db2.gz BOGLAQHETXQWSC-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP COCC[N@H+](CCSC1CCCCC1)CC1CC[NH+](C)CC1 ZINC001196782454 1368683876 /nfs/dbraw/zinc/68/38/76/1368683876.db2.gz RBQMQWJDHRNGTP-UHFFFAOYSA-N 2 0 328.566 3.343 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001325426183 1387970091 /nfs/dbraw/zinc/97/00/91/1387970091.db2.gz DMYCJCPGRVRPOJ-YZBXUTEPSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325436193 1387971801 /nfs/dbraw/zinc/97/18/01/1387971801.db2.gz HVVOFGZEHGBLKE-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1C[C@@H]2C[NH+](CCCC(C)(C)C)C[C@@H]2C1 ZINC001325778128 1388044816 /nfs/dbraw/zinc/04/48/16/1388044816.db2.gz CBPAHXRLVGFACJ-QGFMHUBQSA-N 2 0 349.563 3.076 10 0 EGAERP COc1ccc(-c2cnc(C[N@@H+]3CCCC4(CC[NH2+]CC4)C3)o2)cc1 ZINC001118198398 1371145374 /nfs/dbraw/zinc/14/53/74/1371145374.db2.gz MLCGCVZNRLNZJH-UHFFFAOYSA-N 2 0 341.455 3.316 10 0 EGAERP C[C@H](CC[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001118852188 1371240323 /nfs/dbraw/zinc/24/03/23/1371240323.db2.gz IQMKGUSNEBFEJM-CABCVRRESA-N 2 0 327.513 3.094 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1sc(N2CCCCC2)nc1C ZINC001326728102 1388292040 /nfs/dbraw/zinc/29/20/40/1388292040.db2.gz LHVRORFXEYHXBJ-UHFFFAOYSA-N 2 0 344.528 3.451 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCC2=CCCCC2)CCC1)[NH+]1CCCC1 ZINC001326864169 1388333624 /nfs/dbraw/zinc/33/36/24/1388333624.db2.gz IUZVXNDSZRNAOL-UHFFFAOYSA-N 2 0 347.547 3.380 10 0 EGAERP C[C@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CCC1)[NH+]1CCCCCC1 ZINC001326898314 1388342923 /nfs/dbraw/zinc/34/29/23/1388342923.db2.gz GMWNELSHSNFZTR-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001327162747 1388415454 /nfs/dbraw/zinc/41/54/54/1388415454.db2.gz KRVHYLTUIHXMKR-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C)cc1C ZINC001698610282 1406239789 /nfs/dbraw/zinc/23/97/89/1406239789.db2.gz JCLMWRGRFVLYKT-CMKODMSKSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](C)C[N@H+](CCCNC(=O)c1ccc2c[nH+]cn2c1C)C1CC1 ZINC001265167739 1377150931 /nfs/dbraw/zinc/15/09/31/1377150931.db2.gz ZQWNBPCARPKSMB-HNNXBMFYSA-N 2 0 342.487 3.273 10 0 EGAERP C[C@H](C(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001265448339 1377153183 /nfs/dbraw/zinc/15/31/83/1377153183.db2.gz SNYGLRDDCKDHQH-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001265742123 1377165533 /nfs/dbraw/zinc/16/55/33/1377165533.db2.gz UOLQNCHWUHNCNH-UHFFFAOYSA-N 2 0 335.536 3.090 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CCC[C@@H]([NH2+]CCCF)C1 ZINC001266059124 1377179457 /nfs/dbraw/zinc/17/94/57/1377179457.db2.gz DYKKUYOOLDHSMJ-CVEARBPZSA-N 2 0 341.515 3.016 10 0 EGAERP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266102420 1377186067 /nfs/dbraw/zinc/18/60/67/1377186067.db2.gz JSVCLHFFTDDLSV-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C1CC1 ZINC001266159430 1377211112 /nfs/dbraw/zinc/21/11/12/1377211112.db2.gz PWMSTADGYUMHHA-QZTJIDSGSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001266733689 1377370027 /nfs/dbraw/zinc/37/00/27/1377370027.db2.gz YRGQRZKNOYJVGH-WCIQWLHISA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](CCNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCCC1 ZINC001267133481 1377416477 /nfs/dbraw/zinc/41/64/77/1377416477.db2.gz HSDRBKVRNCQDTH-MRXNPFEDSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001267133580 1377416481 /nfs/dbraw/zinc/41/64/81/1377416481.db2.gz JKYINHOFBMJYBE-IYKSTZQJSA-N 2 0 328.460 3.097 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)Cc1c[nH]cn1)Cc1ccccc1Cl ZINC001267510702 1377449382 /nfs/dbraw/zinc/44/93/82/1377449382.db2.gz ZJFSLFYXSVTJAY-UHFFFAOYSA-N 2 0 348.878 3.023 10 0 EGAERP CC/C=C/CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)CC1 ZINC001268197614 1377492594 /nfs/dbraw/zinc/49/25/94/1377492594.db2.gz IUFGNSFPJACFAW-YKMDAGRBSA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001269339284 1377551067 /nfs/dbraw/zinc/55/10/67/1377551067.db2.gz KYYUIJGRYHZJPT-PXEQJPNCSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C2(CNC(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001269544680 1377557939 /nfs/dbraw/zinc/55/79/39/1377557939.db2.gz OMBIWLNWNZLDDK-KRWDZBQOSA-N 2 0 345.531 3.450 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC001137728156 1377606243 /nfs/dbraw/zinc/60/62/43/1377606243.db2.gz WCNJURZNFCRYSE-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001271090889 1377623732 /nfs/dbraw/zinc/62/37/32/1377623732.db2.gz BZLXJIDILRVCAJ-OXQOHEQNSA-N 2 0 345.531 3.087 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@H+](C)CCN(C)C(=O)[C@@H]2CC[NH+](C)[C@@H]2C)c1 ZINC001272020773 1377654639 /nfs/dbraw/zinc/65/46/39/1377654639.db2.gz PPJXRFFJZHHBMA-CEXWTWQISA-N 2 0 345.531 3.095 10 0 EGAERP CN(CC[N@H+](C)CCC1=CCCCC1)C(=O)CC[NH+]1CCCCC1 ZINC001272178963 1377660346 /nfs/dbraw/zinc/66/03/46/1377660346.db2.gz UQOKCPDZRLWDJQ-UHFFFAOYSA-N 2 0 335.536 3.143 10 0 EGAERP CCC1([NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001327462008 1388525604 /nfs/dbraw/zinc/52/56/04/1388525604.db2.gz LZTVDLDPNDDINQ-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CC=C(C)C)CC1)[NH+](CC)CC ZINC001273783092 1378111274 /nfs/dbraw/zinc/11/12/74/1378111274.db2.gz UYCDHRIRZZWTIE-GOSISDBHSA-N 2 0 337.552 3.434 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(C)([NH2+]CCC(C)(C)C)CC2)CC[N@@H+]1C ZINC001274340315 1378123251 /nfs/dbraw/zinc/12/32/51/1378123251.db2.gz WLZKXBNAMAQTOL-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001275609059 1378148193 /nfs/dbraw/zinc/14/81/93/1378148193.db2.gz KYVUCOLMYHJDQV-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP CCCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001275866747 1378159614 /nfs/dbraw/zinc/15/96/14/1378159614.db2.gz XTGKZWKBKADGQG-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1ccccc1 ZINC001276001049 1378166930 /nfs/dbraw/zinc/16/69/30/1378166930.db2.gz DIZDIOZFAJZLLI-HKUYNNGSSA-N 2 0 331.504 3.059 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001279045731 1378296707 /nfs/dbraw/zinc/29/67/07/1378296707.db2.gz MKMUOTIOBPVFHS-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001281941248 1378460381 /nfs/dbraw/zinc/46/03/81/1378460381.db2.gz GXFHJEIIQSPPTR-PMACEKPBSA-N 2 0 347.547 3.284 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH+](C)CCCC(C)C ZINC001281968892 1378465775 /nfs/dbraw/zinc/46/57/75/1378465775.db2.gz QZHNOVLUPKJTAM-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001327539876 1388555538 /nfs/dbraw/zinc/55/55/38/1388555538.db2.gz FDDNCPBVBRTFHR-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327541837 1388556205 /nfs/dbraw/zinc/55/62/05/1388556205.db2.gz RGNOMCDGEPGARW-GIWCCYDRSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327541836 1388556815 /nfs/dbraw/zinc/55/68/15/1388556815.db2.gz RGNOMCDGEPGARW-CQQBXOTJSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001282681050 1378552901 /nfs/dbraw/zinc/55/29/01/1378552901.db2.gz FANZDNBKWRPISV-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001282732852 1378581673 /nfs/dbraw/zinc/58/16/73/1378581673.db2.gz AZFDYMOPLHNFKE-QGZVFWFLSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)C1C[NH+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001282741929 1378592797 /nfs/dbraw/zinc/59/27/97/1378592797.db2.gz VSXNPLCMWQRXQA-ZWKOTPCHSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001282822635 1378628925 /nfs/dbraw/zinc/62/89/25/1378628925.db2.gz SFYZRVJZSDYEAA-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@H]2C1 ZINC001282946994 1378680745 /nfs/dbraw/zinc/68/07/45/1378680745.db2.gz JQKCMMQEFGIODD-OKZBNKHCSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001283051584 1378717394 /nfs/dbraw/zinc/71/73/94/1378717394.db2.gz APVVFWDOQINUHS-NCXUSEDFSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283172353 1378752671 /nfs/dbraw/zinc/75/26/71/1378752671.db2.gz BJNAWVZHCWESDO-XLIONFOSSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001283320232 1378804802 /nfs/dbraw/zinc/80/48/02/1378804802.db2.gz TZQJCKSYRVRQFG-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC([NH+](C)CCC2CCCCC2)CC1 ZINC001283340759 1378824937 /nfs/dbraw/zinc/82/49/37/1378824937.db2.gz PQKVMUVZFUNMAA-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCCC[NH+](C)C ZINC001284024925 1379373514 /nfs/dbraw/zinc/37/35/14/1379373514.db2.gz FPVQWVZJIMQHMX-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001284034742 1379384890 /nfs/dbraw/zinc/38/48/90/1379384890.db2.gz VBZSMFOEHSVGSF-LDBCMITESA-N 2 0 343.515 3.297 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001284067384 1379425640 /nfs/dbraw/zinc/42/56/40/1379425640.db2.gz LDWNRASYVAQUHC-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cn(C(C)(C)C(=O)N2C[C@H](C)[C@H]([NH2+]CCCC(C)(C)C)C2)cn1 ZINC001327881315 1388613841 /nfs/dbraw/zinc/61/38/41/1388613841.db2.gz NSJVLUXDGVSCQE-DOTOQJQBSA-N 2 0 348.535 3.189 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001284155460 1379551972 /nfs/dbraw/zinc/55/19/72/1379551972.db2.gz VBSUTXPRZLASFE-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@@H]1[NH2+]CCCC(C)(C)C ZINC001327902341 1388619662 /nfs/dbraw/zinc/61/96/62/1388619662.db2.gz LQZKEBZRDASSPM-SJORKVTESA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297487 1379685419 /nfs/dbraw/zinc/68/54/19/1379685419.db2.gz URLGYJUXLJDDOI-SJORKVTESA-N 2 0 337.552 3.122 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001153482493 1380084047 /nfs/dbraw/zinc/08/40/47/1380084047.db2.gz MKNZBZPYIYRTRF-LJQANCHMSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001328028135 1388648770 /nfs/dbraw/zinc/64/87/70/1388648770.db2.gz BAQQRYPJAXSJEY-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP CN(CC(C)(C)C[NH+](C)C)C(=O)[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC001158547911 1381292304 /nfs/dbraw/zinc/29/23/04/1381292304.db2.gz YNUJVOTZMOSLCH-LJQANCHMSA-N 2 0 345.531 3.087 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001290244809 1382076924 /nfs/dbraw/zinc/07/69/24/1382076924.db2.gz NBKODJHSMYIKIH-INIZCTEOSA-N 2 0 342.487 3.285 10 0 EGAERP CC[C@H](CC(=O)N(CC[NH+](C)C)C[C@H]1CCC[N@@H+]1CC)C(C)(C)C ZINC001292582850 1382204335 /nfs/dbraw/zinc/20/43/35/1382204335.db2.gz POMRXZJEWIUCTK-QZTJIDSGSA-N 2 0 339.568 3.323 10 0 EGAERP C[N@@H+](Cc1ccccc1)C[C@@H](CN1C[C@H]2C[NH2+]C[C@H]2C1)c1ccccc1 ZINC001167100147 1383539500 /nfs/dbraw/zinc/53/95/00/1383539500.db2.gz FKOHAVHHQADQCB-ZRBLBEILSA-N 2 0 349.522 3.053 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@H]3CCC[N@@H+]3C)C2)CC1 ZINC001316671556 1384514246 /nfs/dbraw/zinc/51/42/46/1384514246.db2.gz SXDRNBMGNQNXFK-RBUKOAKNSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316678916 1384520334 /nfs/dbraw/zinc/52/03/34/1384520334.db2.gz MJXJDUSUCOBHSM-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316773119 1384571211 /nfs/dbraw/zinc/57/12/11/1384571211.db2.gz FWWXAGKIJMAYSE-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccccc2)CC(C)(C)C1)[NH+](C)C ZINC001316811619 1384609346 /nfs/dbraw/zinc/60/93/46/1384609346.db2.gz NPYOUZHHYHLLQT-MOPGFXCFSA-N 2 0 345.531 3.134 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1Cl)[NH+](C)C ZINC001316850801 1384638967 /nfs/dbraw/zinc/63/89/67/1384638967.db2.gz IYFXOGIADJINAH-YOEHRIQHSA-N 2 0 339.911 3.179 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC2CCCCC2)C1 ZINC001316860364 1384646730 /nfs/dbraw/zinc/64/67/30/1384646730.db2.gz XCESDEWEHHYWCS-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](CCCNC(=O)[C@@H]2CCC[NH+]2C)C2CC2)c1 ZINC001316914287 1384685887 /nfs/dbraw/zinc/68/58/87/1384685887.db2.gz LQGRQTGUUWDGOR-PXNSSMCTSA-N 2 0 343.515 3.121 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CCC[C@H](NC(=O)CCC[NH+](C)C)C2)c(C)c1 ZINC001316947898 1384719302 /nfs/dbraw/zinc/71/93/02/1384719302.db2.gz BSFSJAORWBNIEV-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H]2C[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001317091259 1384852719 /nfs/dbraw/zinc/85/27/19/1384852719.db2.gz OAHHCCJTNSZNIE-BHIYHBOVSA-N 2 0 331.504 3.025 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CC3)CC[C@@H]21 ZINC001317103153 1384866422 /nfs/dbraw/zinc/86/64/22/1384866422.db2.gz DMXSTZIUJQOEQT-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317140685 1384908081 /nfs/dbraw/zinc/90/80/81/1384908081.db2.gz RSQLGBTUZNARDS-SBUVDCAVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317159559 1384923831 /nfs/dbraw/zinc/92/38/31/1384923831.db2.gz IFKOZZSYXYJKAX-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1CC(C)C ZINC001317190400 1384964848 /nfs/dbraw/zinc/96/48/48/1384964848.db2.gz UBGMBNNGDRVIRG-KJBZUCPPSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCCC(C)(C)C)C1 ZINC001317195130 1384969063 /nfs/dbraw/zinc/96/90/63/1384969063.db2.gz YOTRIQRMNPMLFN-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317216904 1384996928 /nfs/dbraw/zinc/99/69/28/1384996928.db2.gz AGABZAUQHRNVGJ-PLNGDYQASA-N 2 0 347.547 3.378 10 0 EGAERP CC[C@@H](C(=O)NC1CCC([NH2+]CCCC2CCCC2)CC1)[NH+](C)C ZINC001317226829 1385005969 /nfs/dbraw/zinc/00/59/69/1385005969.db2.gz QCUSETGWNFEVET-ACBHZAAOSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317255188 1385026084 /nfs/dbraw/zinc/02/60/84/1385026084.db2.gz IWVSMOFWIXJSPQ-PKOBYXMFSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@H](CNC(=O)CCCC[NH+]1CCCC1)[NH2+][C@H]1CCc2ccccc21 ZINC001317289861 1385063441 /nfs/dbraw/zinc/06/34/41/1385063441.db2.gz PRZWXQKTIUHQMV-XLIONFOSSA-N 2 0 343.515 3.034 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)CC1CC[NH+](C)CC1 ZINC001317431167 1385135357 /nfs/dbraw/zinc/13/53/57/1385135357.db2.gz GCLYRBPABSNXRL-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001317431785 1385136123 /nfs/dbraw/zinc/13/61/23/1385136123.db2.gz NEBCGVMXCSCXFU-FQEVSTJZSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1ccccc1C)[NH+](C)C ZINC001317433423 1385137354 /nfs/dbraw/zinc/13/73/54/1385137354.db2.gz DSSFJZABZZEOPO-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317505330 1385211679 /nfs/dbraw/zinc/21/16/79/1385211679.db2.gz KSYSQYFACPXGMH-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512873 1385225506 /nfs/dbraw/zinc/22/55/06/1385225506.db2.gz QCLKFCKXZFZQEK-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317527456 1385249006 /nfs/dbraw/zinc/24/90/06/1385249006.db2.gz DEYZTUKWUYZPTA-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[NH+](CCC(C)(C)C)C1CC1 ZINC001317552716 1385314814 /nfs/dbraw/zinc/31/48/14/1385314814.db2.gz BBZJQJQRHCYWFQ-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001317553457 1385316043 /nfs/dbraw/zinc/31/60/43/1385316043.db2.gz KUKYCVFFPDYHSW-LJQANCHMSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1C ZINC001317636904 1385367458 /nfs/dbraw/zinc/36/74/58/1385367458.db2.gz SINIUUWATOBDCW-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681440 1385389901 /nfs/dbraw/zinc/38/99/01/1385389901.db2.gz IWBYJAPVLDECOZ-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001317728125 1385427361 /nfs/dbraw/zinc/42/73/61/1385427361.db2.gz CXEMDRRVEGBTPE-VQTJNVASSA-N 2 0 343.515 3.108 10 0 EGAERP C[NH+](C)C1(C(=O)NCC[C@@H]2CC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001317787172 1385480055 /nfs/dbraw/zinc/48/00/55/1385480055.db2.gz CYIAGNJLDBATCL-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317835985 1385523879 /nfs/dbraw/zinc/52/38/79/1385523879.db2.gz JWGZHPCGFUDDTR-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317979483 1385596876 /nfs/dbraw/zinc/59/68/76/1385596876.db2.gz LUZOELIGZVOTKA-WLMAVBAVSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001318406412 1385675205 /nfs/dbraw/zinc/67/52/05/1385675205.db2.gz GHODAWYCISIUGM-IKLBINMZSA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698616549 1406249713 /nfs/dbraw/zinc/24/97/13/1406249713.db2.gz DETAOLMBMFGRAP-MSOLQXFVSA-N 2 0 339.568 3.418 10 0 EGAERP O=C([C@@H]1CCC[C@@H]2CCC[N@@H+]21)N1CCC(CC[NH2+]CCC2CC2)CC1 ZINC001318916889 1385881575 /nfs/dbraw/zinc/88/15/75/1385881575.db2.gz HWQKPJCSIKKRTB-UXHICEINSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001318959059 1385897947 /nfs/dbraw/zinc/89/79/47/1385897947.db2.gz LPEQABUVKBNJAI-WGSAOQKQSA-N 2 0 349.563 3.460 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001318982891 1385908927 /nfs/dbraw/zinc/90/89/27/1385908927.db2.gz COEASNQMYPOGEQ-GUDVDZBRSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001319080870 1385954860 /nfs/dbraw/zinc/95/48/60/1385954860.db2.gz QCKRWLBAYXJEAX-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001319823661 1386319055 /nfs/dbraw/zinc/31/90/55/1386319055.db2.gz CREHBRWHECZVGQ-AZUAARDMSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001319861565 1386340548 /nfs/dbraw/zinc/34/05/48/1386340548.db2.gz QAIZFXODUSOBTI-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)CC[N@@H+](C)C1CCCCC1 ZINC001320150806 1386536708 /nfs/dbraw/zinc/53/67/08/1386536708.db2.gz LUQXBKUKUFJDLH-AZUAARDMSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1=CCCCC1 ZINC001320474909 1386620372 /nfs/dbraw/zinc/62/03/72/1386620372.db2.gz VKONIRPAZYXOMS-IEBWSBKVSA-N 2 0 335.536 3.092 10 0 EGAERP CCN(CC[NH2+]Cc1ccccc1C(C)C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001320891093 1386749202 /nfs/dbraw/zinc/74/92/02/1386749202.db2.gz DHMNBDRKHZDGRJ-GOSISDBHSA-N 2 0 345.531 3.090 10 0 EGAERP C[C@H]1CCCC[C@]1(C[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001698665493 1406316711 /nfs/dbraw/zinc/31/67/11/1406316711.db2.gz ZJGPYAIYFRXFTC-FXAWDEMLSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H]([NH2+]C/C=C\CNC(=O)c1cccc2nccn21)c1ccccc1 ZINC001321155404 1386824443 /nfs/dbraw/zinc/82/44/43/1386824443.db2.gz LPUZYVSMKGGHAU-HPFMTEOYSA-N 2 0 348.450 3.361 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001321415186 1386897530 /nfs/dbraw/zinc/89/75/30/1386897530.db2.gz CYKCCDMZXDZDRR-QCUYKYDPSA-N 2 0 333.520 3.012 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698694295 1406338398 /nfs/dbraw/zinc/33/83/98/1406338398.db2.gz ODKHPCAUGAVFDD-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001322693561 1387226294 /nfs/dbraw/zinc/22/62/94/1387226294.db2.gz IEVUUNOWNIMUNU-UHFFFAOYSA-N 2 0 347.547 3.219 10 0 EGAERP C[C@@H](C(=O)N(C)CCC[NH2+]CC1CC(C)(C)C1)[NH+]1CCCCCC1 ZINC001322724677 1387230659 /nfs/dbraw/zinc/23/06/59/1387230659.db2.gz SSGQGKRZDFIGIV-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001329204195 1389021183 /nfs/dbraw/zinc/02/11/83/1389021183.db2.gz XTDUNYRMKOTJPE-SJORKVTESA-N 2 0 341.499 3.163 10 0 EGAERP CN(C(=O)C[NH+]1CCCC1)C1CCC([NH2+]CCCC2CCC2)CC1 ZINC001329256782 1389037992 /nfs/dbraw/zinc/03/79/92/1389037992.db2.gz ONEMCYAOSYDJQH-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCCC1 ZINC001329819498 1389230925 /nfs/dbraw/zinc/23/09/25/1389230925.db2.gz YOPYWRUNJBHPFU-IAGOWNOFSA-N 2 0 341.515 3.016 10 0 EGAERP C[C@@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1)c1ccccc1 ZINC001329861454 1389239093 /nfs/dbraw/zinc/23/90/93/1389239093.db2.gz SJPUVECHTCKDKF-MJGOQNOKSA-N 2 0 343.515 3.108 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCCCC[N@@H+]1CCCC1CCCC1 ZINC001329936651 1389265082 /nfs/dbraw/zinc/26/50/82/1389265082.db2.gz IZZUFZLFZAFARQ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001329937265 1389266378 /nfs/dbraw/zinc/26/63/78/1389266378.db2.gz NQEYWBVRQZMPIB-RTBURBONSA-N 2 0 337.552 3.412 10 0 EGAERP Cc1cccc2c1ccnc2N1CCC([N@@H+]2CCCOCC2)CC1 ZINC001330061535 1389297106 /nfs/dbraw/zinc/29/71/06/1389297106.db2.gz ZTPWTQSSYVVTDJ-UHFFFAOYSA-N 2 0 325.456 3.234 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](CC)c2ccccc2)CC1(C)C ZINC001330244019 1389361729 /nfs/dbraw/zinc/36/17/29/1389361729.db2.gz IJOZUCQOZPDBCA-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C[NH+](C)C3CCC3)C[C@H]2C1 ZINC001330470932 1389424059 /nfs/dbraw/zinc/42/40/59/1389424059.db2.gz UHNMBTHUHLTRPN-GBESFXJTSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001330621959 1389473600 /nfs/dbraw/zinc/47/36/00/1389473600.db2.gz MHJCHXUTSVEEQQ-VAMGGRTRSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[NH2+]CCC[C@@H](NC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001331176304 1389643389 /nfs/dbraw/zinc/64/33/89/1389643389.db2.gz IRSPZQLZUPLPGG-HXUWFJFHSA-N 2 0 345.531 3.354 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC2(CC[NH+](CC3=CCCCC3)C2)CC1 ZINC001698739423 1406390532 /nfs/dbraw/zinc/39/05/32/1406390532.db2.gz SQQUEOWFOLWDHD-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP Cc1cc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1N1CC[NH+](C)CC1 ZINC001331521322 1389782433 /nfs/dbraw/zinc/78/24/33/1389782433.db2.gz UWYZPJRCQRGYCW-GOSISDBHSA-N 2 0 330.520 3.032 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CC1CC[NH+](C)CC1 ZINC001332033624 1389954093 /nfs/dbraw/zinc/95/40/93/1389954093.db2.gz VOOUDOGLAUAXEV-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](C(=O)N[C@]12CCC[C@@H]1[N@H+](CC=C(C)C)CC2)[NH+](CC)CC ZINC001332113807 1389991289 /nfs/dbraw/zinc/99/12/89/1389991289.db2.gz UDLKKZXABQGOOR-HBFSDRIKSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001332145763 1390006542 /nfs/dbraw/zinc/00/65/42/1390006542.db2.gz KHNWORFXMSULGO-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)[C@@H]1C ZINC001332215364 1390047342 /nfs/dbraw/zinc/04/73/42/1390047342.db2.gz AOHRQDHHBKFUNH-DHJFXDNESA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001332707515 1390161686 /nfs/dbraw/zinc/16/16/86/1390161686.db2.gz MURSHPUZWPLLHK-IBGZPJMESA-N 2 0 337.552 3.218 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001698766286 1406423330 /nfs/dbraw/zinc/42/33/30/1406423330.db2.gz VGULGXADSCYCEX-SJORKVTESA-N 2 0 347.547 3.339 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCC2CCCCC2)C(C)(C)C)C1 ZINC001332897251 1390211474 /nfs/dbraw/zinc/21/14/74/1390211474.db2.gz ASVRGGVAWMMSRV-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001333004520 1390234853 /nfs/dbraw/zinc/23/48/53/1390234853.db2.gz LRLAOTZKHGOPPZ-ROUUACIJSA-N 2 0 345.531 3.306 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@@H+]3C)CC2)CC1 ZINC001333182119 1390263491 /nfs/dbraw/zinc/26/34/91/1390263491.db2.gz WKOSLZSEBFGPPV-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC2CCC(C)CC2)CC1 ZINC001333433688 1390304186 /nfs/dbraw/zinc/30/41/86/1390304186.db2.gz XQKPRPYMQAIIEV-UHFFFAOYSA-N 2 0 349.563 3.293 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C1(CNC(=O)C[NH+]2CCCC2)CCCC1 ZINC001698805796 1406486174 /nfs/dbraw/zinc/48/61/74/1406486174.db2.gz YHLSNAXNSUKIKI-GOSISDBHSA-N 2 0 343.515 3.170 10 0 EGAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]1CCCN1Cc1ccc(F)cc1 ZINC001348852901 1391275574 /nfs/dbraw/zinc/27/55/74/1391275574.db2.gz FUYWYLBHUGODKN-QFBILLFUSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cc(C)nnc2C)CC1)CC1CC1 ZINC001351166006 1391606199 /nfs/dbraw/zinc/60/61/99/1391606199.db2.gz UUGPWDCUCOCQPV-UHFFFAOYSA-N 2 0 330.520 3.427 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827691 1406520102 /nfs/dbraw/zinc/52/01/02/1406520102.db2.gz HGHLGUNBHYSRNI-XLIONFOSSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001698849839 1406551801 /nfs/dbraw/zinc/55/18/01/1406551801.db2.gz WVOROHWBPINCBQ-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479527104 1392270088 /nfs/dbraw/zinc/27/00/88/1392270088.db2.gz ZDIHXMZYUKKEJZ-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCCCC[C@H]([NH2+]CCC(C)(C)C)C1)[NH+](C)C ZINC001479693832 1392324928 /nfs/dbraw/zinc/32/49/28/1392324928.db2.gz GFGOPBDSQCMDDJ-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+][C@H](C)c2ccccc2)C1 ZINC001479693736 1392324988 /nfs/dbraw/zinc/32/49/88/1392324988.db2.gz DDFNYLINYKATKQ-QUCCMNQESA-N 2 0 345.531 3.450 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001479694899 1392325357 /nfs/dbraw/zinc/32/53/57/1392325357.db2.gz FSBMIEHYEWGLSX-IBGZPJMESA-N 2 0 337.552 3.413 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)[C@H]1C ZINC001479715084 1392334364 /nfs/dbraw/zinc/33/43/64/1392334364.db2.gz ZUAORLPNSBKZMW-KURKYZTESA-N 2 0 337.552 3.122 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)[NH+](CC)CC ZINC001479737993 1392350840 /nfs/dbraw/zinc/35/08/40/1392350840.db2.gz RRNJIVZJDAVEOZ-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479830301 1392417108 /nfs/dbraw/zinc/41/71/08/1392417108.db2.gz PSGYAPVEXPLLPB-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001479830770 1392417295 /nfs/dbraw/zinc/41/72/95/1392417295.db2.gz RDIZDUKPCDODFW-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCC(C)CC1 ZINC001479847130 1392429097 /nfs/dbraw/zinc/42/90/97/1392429097.db2.gz FTWZMKOZSXHBPD-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](CC)[C@H]1CCCc2ccccc21)[NH+](C)C ZINC001479854167 1392434669 /nfs/dbraw/zinc/43/46/69/1392434669.db2.gz BXWSQBJSUGVZBB-PMACEKPBSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001479889702 1392460283 /nfs/dbraw/zinc/46/02/83/1392460283.db2.gz KFYWCMFQCADYET-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479896570 1392465413 /nfs/dbraw/zinc/46/54/13/1392465413.db2.gz YABQMKHVHCUUGE-HCZHMGAMSA-N 2 0 349.563 3.386 10 0 EGAERP CCc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001698859243 1406568449 /nfs/dbraw/zinc/56/84/49/1406568449.db2.gz BQXSCFOHPHOPGK-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001479968659 1392504563 /nfs/dbraw/zinc/50/45/63/1392504563.db2.gz GSVQSLUDLFUSQH-LJQANCHMSA-N 2 0 345.531 3.034 10 0 EGAERP CC/C=C\CC[NH+]1CCC(N(CCC)C(=O)C2CC[NH+](C)CC2)CC1 ZINC001479995657 1392527624 /nfs/dbraw/zinc/52/76/24/1392527624.db2.gz SHVOSPCXIMWCHI-SREVYHEPSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC2=CCCCC2)C2CC2)C1 ZINC001480041643 1392547546 /nfs/dbraw/zinc/54/75/46/1392547546.db2.gz SVDBTEODUJEKKV-UXHICEINSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)C[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480085159 1392575011 /nfs/dbraw/zinc/57/50/11/1392575011.db2.gz QBDKFABXYDDITM-SJORKVTESA-N 2 0 349.494 3.009 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001480101323 1392585827 /nfs/dbraw/zinc/58/58/27/1392585827.db2.gz MDPXWHGNUBARBV-VGIQHARFSA-N 2 0 347.547 3.138 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1)[NH+](CC)CC ZINC001480222797 1392626840 /nfs/dbraw/zinc/62/68/40/1392626840.db2.gz OFZKHBSLPKLCHH-RSPOEFSDSA-N 2 0 345.531 3.413 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001480238194 1392631084 /nfs/dbraw/zinc/63/10/84/1392631084.db2.gz AWRXQJBTBIPCGC-ZCNNSNEGSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CC(CC)CC)C1 ZINC001480285974 1392659698 /nfs/dbraw/zinc/65/96/98/1392659698.db2.gz NLKKATSNQPNUSF-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001480302093 1392666547 /nfs/dbraw/zinc/66/65/47/1392666547.db2.gz GCZLFKUIFNCLOR-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001480384826 1392729687 /nfs/dbraw/zinc/72/96/87/1392729687.db2.gz ATHAESMGZWEWPV-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001480403685 1392741921 /nfs/dbraw/zinc/74/19/21/1392741921.db2.gz RYYNFWMOKUFVDM-SOAGJPPSSA-N 2 0 349.563 3.458 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@@H](C)[NH2+]CC1CCCCC1)c1ccccc1 ZINC001480568794 1392795543 /nfs/dbraw/zinc/79/55/43/1392795543.db2.gz ATKFSUIQPJWDIX-XLIONFOSSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480703112 1392866843 /nfs/dbraw/zinc/86/68/43/1392866843.db2.gz WDMCWUHYEQNZKU-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001480703350 1392866945 /nfs/dbraw/zinc/86/69/45/1392866945.db2.gz YGRWAHDYIUCIDN-OALUTQOASA-N 2 0 349.563 3.482 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001480706422 1392869302 /nfs/dbraw/zinc/86/93/02/1392869302.db2.gz DIQROROCEBIBCK-UXHICEINSA-N 2 0 345.531 3.244 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H](C)CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480774124 1392925124 /nfs/dbraw/zinc/92/51/24/1392925124.db2.gz ZCRRYFYDPGDUKV-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC2CCCCC2)C1 ZINC001480787046 1392933016 /nfs/dbraw/zinc/93/30/16/1392933016.db2.gz YFNQBWKEVVDBQX-MJGOQNOKSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001480793726 1392936954 /nfs/dbraw/zinc/93/69/54/1392936954.db2.gz LHFRCHXXCDWKCV-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C ZINC001480826207 1392964390 /nfs/dbraw/zinc/96/43/90/1392964390.db2.gz OGSGSZAICBCBIJ-WWAPKCSDSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001698877123 1406602415 /nfs/dbraw/zinc/60/24/15/1406602415.db2.gz AHYIMHRFUPBGNA-CTWPCTMYSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001480835404 1392977404 /nfs/dbraw/zinc/97/74/04/1392977404.db2.gz ZILBSTGDOLYNHX-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCCC1 ZINC001481012244 1393088242 /nfs/dbraw/zinc/08/82/42/1393088242.db2.gz WANAMSRVKHBTFW-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1cccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c1 ZINC001481230060 1393151648 /nfs/dbraw/zinc/15/16/48/1393151648.db2.gz DUSOPXCPJHRZGZ-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP Cc1c(C(=O)N(C)CC[NH2+]CC2CCCCCC2)ccc2c[nH+]cn21 ZINC001481249693 1393153513 /nfs/dbraw/zinc/15/35/13/1393153513.db2.gz CYORBLUHCFEZDX-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001481338784 1393167192 /nfs/dbraw/zinc/16/71/92/1393167192.db2.gz DGOMVKYZFYPQHP-AZUAARDMSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001490311049 1393174233 /nfs/dbraw/zinc/17/42/33/1393174233.db2.gz GMBRUBHXJDSFPQ-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1=CCCCC1 ZINC001490311050 1393174304 /nfs/dbraw/zinc/17/43/04/1393174304.db2.gz GMBRUBHXJDSFPQ-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C1CCCCC1 ZINC001698884390 1406616711 /nfs/dbraw/zinc/61/67/11/1406616711.db2.gz LNOLMRRZLQEBCN-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001698922035 1406657235 /nfs/dbraw/zinc/65/72/35/1406657235.db2.gz ZLEZZIZFEZSPFH-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001698928856 1406665104 /nfs/dbraw/zinc/66/51/04/1406665104.db2.gz MXDMWPSWWQSJHH-YZBXUTEPSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCCC2CCC2)C1 ZINC001698939213 1406679126 /nfs/dbraw/zinc/67/91/26/1406679126.db2.gz OWKPYUXQAZFNRJ-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CC1)c1ccccc1 ZINC001481374319 1394215728 /nfs/dbraw/zinc/21/57/28/1394215728.db2.gz LVCXZXQOZPOPPQ-WOJBJXKFSA-N 2 0 343.515 3.108 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001490597279 1394278578 /nfs/dbraw/zinc/27/85/78/1394278578.db2.gz OOHUMTHLHHBQNF-JCMVTEASSA-N 2 0 349.563 3.290 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001481433445 1394289510 /nfs/dbraw/zinc/28/95/10/1394289510.db2.gz VHJQDMPZMSLXDH-WLMAVBAVSA-N 2 0 335.536 3.044 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481489490 1394334166 /nfs/dbraw/zinc/33/41/66/1394334166.db2.gz SMVXCEYKQBFQRG-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CC[C@@H](C[NH+](C)CC(C)C)C1)c1ccccc1 ZINC001481505086 1394351955 /nfs/dbraw/zinc/35/19/55/1394351955.db2.gz QEWQCNBLJAHCFH-ICSRJNTNSA-N 2 0 345.531 3.116 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001481539530 1394402177 /nfs/dbraw/zinc/40/21/77/1394402177.db2.gz VVNATXPOBRENGV-FNYRVFDFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2ccccc2C)C1 ZINC001491073686 1394419649 /nfs/dbraw/zinc/41/96/49/1394419649.db2.gz OYKQECCRIQSVKM-OKZBNKHCSA-N 2 0 331.504 3.025 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001491081162 1394421674 /nfs/dbraw/zinc/42/16/74/1394421674.db2.gz YLVTZLFEAMPOCU-FFZOFVMBSA-N 2 0 345.531 3.281 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001491187507 1394463527 /nfs/dbraw/zinc/46/35/27/1394463527.db2.gz SBHKEKDKGYOFIS-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001491218701 1394477460 /nfs/dbraw/zinc/47/74/60/1394477460.db2.gz JBDMAPFKVGGOJU-QWNKOJSDSA-N 2 0 335.536 3.188 10 0 EGAERP CCCc1ccc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001491683307 1394526189 /nfs/dbraw/zinc/52/61/89/1394526189.db2.gz RYFHCXWCRZGCJF-YLJYHZDGSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](CC[NH2+]CC3CCCCC3)C2)CC[N@@H+]1C ZINC001481978264 1394639781 /nfs/dbraw/zinc/63/97/81/1394639781.db2.gz SCVVQQUMMZGCNF-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001482024343 1394681876 /nfs/dbraw/zinc/68/18/76/1394681876.db2.gz CIFWEJQZTMGWRE-KRDSJLHQSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001482044554 1394706026 /nfs/dbraw/zinc/70/60/26/1394706026.db2.gz ZROOXOWTOKYZPN-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)CC2 ZINC001482069120 1394730994 /nfs/dbraw/zinc/73/09/94/1394730994.db2.gz RXRGLZRSAQDRLZ-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC3(CC[N@H+](CCC(C)(C)C)C3)CC2)CC1 ZINC001482070314 1394733290 /nfs/dbraw/zinc/73/32/90/1394733290.db2.gz OOASYFFGJFWWBT-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+][C@@H](C)c1ccccc1Cl ZINC001482174276 1394787709 /nfs/dbraw/zinc/78/77/09/1394787709.db2.gz XPHSWNDQGNSLCB-CABCVRRESA-N 2 0 339.911 3.083 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)C1 ZINC001482235909 1394831123 /nfs/dbraw/zinc/83/11/23/1394831123.db2.gz XTGBAOULAKOEMR-LJQANCHMSA-N 2 0 347.547 3.237 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001482318139 1394889347 /nfs/dbraw/zinc/88/93/47/1394889347.db2.gz DVZVFSUMZRGLBJ-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337193 1394905230 /nfs/dbraw/zinc/90/52/30/1394905230.db2.gz OCPKJGNCDZCCDO-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001482429683 1394989841 /nfs/dbraw/zinc/98/98/41/1394989841.db2.gz SSRJIVYVYVNLJO-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001482429684 1394989859 /nfs/dbraw/zinc/98/98/59/1394989859.db2.gz SSRJIVYVYVNLJO-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001482432721 1394993094 /nfs/dbraw/zinc/99/30/94/1394993094.db2.gz IDALENXPZUTOLV-IAGOWNOFSA-N 2 0 339.568 3.227 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001482451049 1395009537 /nfs/dbraw/zinc/00/95/37/1395009537.db2.gz QVPCHTAMFLMUDT-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482455952 1395014584 /nfs/dbraw/zinc/01/45/84/1395014584.db2.gz NTTORRPUBYOFSN-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CC1CC(C[NH2+]CC[C@H]2CCCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001482459652 1395017886 /nfs/dbraw/zinc/01/78/86/1395017886.db2.gz ADYMBCVEZPTKFO-LYBXBRPPSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001483836145 1395103281 /nfs/dbraw/zinc/10/32/81/1395103281.db2.gz XKIJGEPZXFRCKI-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1c(C(=O)N2CCC[C@@H]2C[NH2+]CCCC(C)C)ccc2c[nH+]cn21 ZINC001483936783 1395151826 /nfs/dbraw/zinc/15/18/26/1395151826.db2.gz UXTOSRBTMOVFEH-QGZVFWFLSA-N 2 0 342.487 3.273 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC001484012891 1395185773 /nfs/dbraw/zinc/18/57/73/1395185773.db2.gz OFKHAPFROLIYTM-CTNGQTDRSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](CNC(=O)C[NH+]1CCCC1)C(C)C ZINC001698976132 1406745762 /nfs/dbraw/zinc/74/57/62/1406745762.db2.gz CEUHUBNOBYMJKQ-HXUWFJFHSA-N 2 0 345.531 3.136 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001484542864 1395424723 /nfs/dbraw/zinc/42/47/23/1395424723.db2.gz YWNNCZAZJLVIIZ-INPAECQJSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001484562191 1395448396 /nfs/dbraw/zinc/44/83/96/1395448396.db2.gz XHZPYSSPEBAPDS-SJORKVTESA-N 2 0 343.515 3.095 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)[C@H](C)C1 ZINC001484985147 1395627201 /nfs/dbraw/zinc/62/72/01/1395627201.db2.gz CGAGDLJSTDUGSI-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[N@H+](CCCC(C)(C)C)CC1(C)C)[NH+](C)C ZINC001485583133 1396058164 /nfs/dbraw/zinc/05/81/64/1396058164.db2.gz YMXHEPHBCSLQEK-DLBZAZTESA-N 2 0 339.568 3.226 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCCC1 ZINC001485586760 1396063183 /nfs/dbraw/zinc/06/31/83/1396063183.db2.gz QKHSRKSPYVOHMD-RTBURBONSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccc(C[N@@H+](C)C2CCN(C(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001485766715 1396143257 /nfs/dbraw/zinc/14/32/57/1396143257.db2.gz PEDLLMQGNLXDOX-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485930474 1396170167 /nfs/dbraw/zinc/17/01/67/1396170167.db2.gz SBRIXOVFJPBYDW-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001485930739 1396170170 /nfs/dbraw/zinc/17/01/70/1396170170.db2.gz XQQSKQAIUYWFKK-SJLPKXTDSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N(C)C[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001485960297 1396174112 /nfs/dbraw/zinc/17/41/12/1396174112.db2.gz CZZMQSLONYEFGB-KRWDZBQOSA-N 2 0 341.499 3.117 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCCC1 ZINC001485961068 1396174199 /nfs/dbraw/zinc/17/41/99/1396174199.db2.gz QAAMXKHCJGXBJO-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001486210232 1396183001 /nfs/dbraw/zinc/18/30/01/1396183001.db2.gz JAZDMBVIHLUSND-MOPGFXCFSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001499934870 1396185049 /nfs/dbraw/zinc/18/50/49/1396185049.db2.gz MFLWEJCOPXHLSG-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001486235068 1396185715 /nfs/dbraw/zinc/18/57/15/1396185715.db2.gz RFRIOUXGBGPPNB-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2C[C@H]([NH2+]CCCC3CCCC3)C(C)(C)C2)C1 ZINC001486248575 1396189017 /nfs/dbraw/zinc/18/90/17/1396189017.db2.gz XIGUQXTVJQINFX-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001486249708 1396189403 /nfs/dbraw/zinc/18/94/03/1396189403.db2.gz JZXHTRDDACXAQH-MJGOQNOKSA-N 2 0 345.531 3.223 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001501625155 1396194712 /nfs/dbraw/zinc/19/47/12/1396194712.db2.gz DQAYOGGXTXAEAW-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2CC(C)(C)C2)[C@H](C)C1 ZINC001503014919 1396240781 /nfs/dbraw/zinc/24/07/81/1396240781.db2.gz QAOYSKBCCLIQEV-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@H+](CC)CC1CCN(C(=O)[C@H]2CCC[NH+]2C)CC1 ZINC001505394517 1396282836 /nfs/dbraw/zinc/28/28/36/1396282836.db2.gz GGVWOOIMLUZBHL-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCC1CCCC1 ZINC001492091515 1396303789 /nfs/dbraw/zinc/30/37/89/1396303789.db2.gz DBUXROZXUYRWCO-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1c(C(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CC2)ccc2c[nH+]cn21 ZINC001492159918 1396309885 /nfs/dbraw/zinc/30/98/85/1396309885.db2.gz LRYZAYFVZOVFFA-QGZVFWFLSA-N 2 0 340.471 3.027 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001493830756 1396343393 /nfs/dbraw/zinc/34/33/93/1396343393.db2.gz PISPNUSTCMMWSP-LKGOPFMKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)c1ccc([C@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[NH2+]CCCF)cc1 ZINC001493878492 1396343983 /nfs/dbraw/zinc/34/39/83/1396343983.db2.gz JTOIBSWVVNLNMQ-RBUKOAKNSA-N 2 0 349.494 3.011 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494134298 1396377452 /nfs/dbraw/zinc/37/74/52/1396377452.db2.gz YDRKSAFKLFSQAY-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001494171505 1396395646 /nfs/dbraw/zinc/39/56/46/1396395646.db2.gz IKTWJLSTQAARPE-IBGZPJMESA-N 2 0 345.531 3.007 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001494576916 1396474776 /nfs/dbraw/zinc/47/47/76/1396474776.db2.gz KINLYWFFEMCGMK-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C(=O)NCC1C[NH+](CCC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001494598105 1396483234 /nfs/dbraw/zinc/48/32/34/1396483234.db2.gz AWPQMMAJKXEIKY-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP CCCC[NH2+]C[C@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001495325039 1396533247 /nfs/dbraw/zinc/53/32/47/1396533247.db2.gz LAMDZTLEJBMSQN-FXAWDEMLSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001495814222 1396561693 /nfs/dbraw/zinc/56/16/93/1396561693.db2.gz OZRDTYCEINQIOZ-MJGOQNOKSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1([NH2+]CC2CCC3(CC3)CC2)CCCC1 ZINC001495952733 1396576413 /nfs/dbraw/zinc/57/64/13/1396576413.db2.gz DOELZFCJUIZWAF-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001496285340 1396631406 /nfs/dbraw/zinc/63/14/06/1396631406.db2.gz OINUXJUKIMZMDQ-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001496338249 1396655662 /nfs/dbraw/zinc/65/56/62/1396655662.db2.gz FGBOKBBZDSURGA-ROUUACIJSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012448 1406844341 /nfs/dbraw/zinc/84/43/41/1406844341.db2.gz DSNXGDUPYRGTOI-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001498325152 1396965387 /nfs/dbraw/zinc/96/53/87/1396965387.db2.gz NGZGPCUGSBRSOV-INIZCTEOSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001689267860 1396999292 /nfs/dbraw/zinc/99/92/92/1396999292.db2.gz SCHDQCOFKKZTIZ-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001689270228 1397001960 /nfs/dbraw/zinc/00/19/60/1397001960.db2.gz KCGGLOQDTZSYIM-DPZZJQGRSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498492841 1397036284 /nfs/dbraw/zinc/03/62/84/1397036284.db2.gz UZLDUGUQCQBZPR-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001689352576 1403681960 /nfs/dbraw/zinc/68/19/60/1403681960.db2.gz JDKIFYOHUDGETC-VJANTYMQSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001689362860 1403699757 /nfs/dbraw/zinc/69/97/57/1403699757.db2.gz IPJZRYWRPCXUKM-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C2CCCCC2)CC(C)(C)C1 ZINC001689362916 1403700420 /nfs/dbraw/zinc/70/04/20/1403700420.db2.gz JIYPNIJAVAURFG-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001689812889 1404153045 /nfs/dbraw/zinc/15/30/45/1404153045.db2.gz UPVWAJRSAQBDNC-QUCCMNQESA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001689821029 1404160227 /nfs/dbraw/zinc/16/02/27/1404160227.db2.gz LQVPHJKHSBLNTH-MRXNPFEDSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001689820726 1404160352 /nfs/dbraw/zinc/16/03/52/1404160352.db2.gz BGYGRBLFBYJKCH-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001689825013 1404161707 /nfs/dbraw/zinc/16/17/07/1404161707.db2.gz FMNDSQDNMPFOMY-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CC1CCCCC1 ZINC001689939676 1404217995 /nfs/dbraw/zinc/21/79/95/1404217995.db2.gz ZQVALUQGAMNYOC-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)Cc1ccc(C)cc1 ZINC001689952109 1404223436 /nfs/dbraw/zinc/22/34/36/1404223436.db2.gz UXPCXOCWOCIBIU-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CC2(CCC2)C1 ZINC001690312184 1404468515 /nfs/dbraw/zinc/46/85/15/1404468515.db2.gz HBDYGDVUPBWGKD-YQQQUEKLSA-N 2 0 347.547 3.019 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1CCCCCC1 ZINC001690312542 1404469132 /nfs/dbraw/zinc/46/91/32/1404469132.db2.gz VHOBJGBHAOHXOG-IHWFROFDSA-N 2 0 349.563 3.409 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@H]2C[N@H+](CC3CCCCC3)CC[C@@H]21 ZINC001690317671 1404473917 /nfs/dbraw/zinc/47/39/17/1404473917.db2.gz JJBPGZHHCGUJFG-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+](C)C)C2)cc1 ZINC001690355330 1404490047 /nfs/dbraw/zinc/49/00/47/1404490047.db2.gz VQUAOGFGOXSKEM-AHRSYUTCSA-N 2 0 345.531 3.450 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCC[NH+](CC3CCCCCC3)C2)C1 ZINC001690392363 1404533745 /nfs/dbraw/zinc/53/37/45/1404533745.db2.gz VVHAYAZCIPDFHN-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690413781 1404545612 /nfs/dbraw/zinc/54/56/12/1404545612.db2.gz KIWUNMDBQUXPLH-QGZVFWFLSA-N 2 0 340.471 3.051 10 0 EGAERP O=C(N1CCC[C@H](C[NH2+]CCC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001690414241 1404546568 /nfs/dbraw/zinc/54/65/68/1404546568.db2.gz VATHBTBPWZBONO-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690418871 1404548435 /nfs/dbraw/zinc/54/84/35/1404548435.db2.gz ZQGWGHUBWOWGQA-IBGZPJMESA-N 2 0 349.563 3.293 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCC3)C2)CC1 ZINC001690427793 1404554549 /nfs/dbraw/zinc/55/45/49/1404554549.db2.gz VYENXKCMVCEAMV-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@@H]2C[NH2+]CCC2=CCCCC2)CC1 ZINC001690477887 1404598744 /nfs/dbraw/zinc/59/87/44/1404598744.db2.gz UHDBPIPBQXQKJN-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCCC[C@@H]1[C@H]1CCC[N@@H+]1CCC1CC1 ZINC001690490792 1404604420 /nfs/dbraw/zinc/60/44/20/1404604420.db2.gz FDJIBRLVQJEPDR-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001690709229 1404694793 /nfs/dbraw/zinc/69/47/93/1404694793.db2.gz CYPVXSFGBFXWHP-HNNXBMFYSA-N 2 0 337.533 3.052 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001690741693 1404704238 /nfs/dbraw/zinc/70/42/38/1404704238.db2.gz WMFCITPBJJXUHO-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001690741627 1404704384 /nfs/dbraw/zinc/70/43/84/1404704384.db2.gz UUEMVEWHLNLVRI-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001690780751 1404728987 /nfs/dbraw/zinc/72/89/87/1404728987.db2.gz LIRLZEZNZUQTJZ-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001690820157 1404755343 /nfs/dbraw/zinc/75/53/43/1404755343.db2.gz BOLAGSPWPTWKFU-RBUKOAKNSA-N 2 0 337.552 3.362 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1C ZINC001690860073 1404781068 /nfs/dbraw/zinc/78/10/68/1404781068.db2.gz RCZYFFOBHXPWIV-HBFSDRIKSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(F)c1)[NH+](C)C ZINC001690901627 1404808669 /nfs/dbraw/zinc/80/86/69/1404808669.db2.gz JJMGYAKRBPOYAU-RBUKOAKNSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691109884 1405050744 /nfs/dbraw/zinc/05/07/44/1405050744.db2.gz GWZMWVHGAMYCCO-NSHGMRRFSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001691674787 1405408484 /nfs/dbraw/zinc/40/84/84/1405408484.db2.gz LYHROZIUTNDKHK-RTBURBONSA-N 2 0 345.531 3.239 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001691754652 1405472939 /nfs/dbraw/zinc/47/29/39/1405472939.db2.gz YXYJRWIDTSUJAH-OALUTQOASA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001691818779 1405533814 /nfs/dbraw/zinc/53/38/14/1405533814.db2.gz JZIRWCPYQZLENF-BLGFXRMMSA-N 2 0 337.552 3.291 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001691819314 1405535736 /nfs/dbraw/zinc/53/57/36/1405535736.db2.gz SLKLENHSLYXIJX-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](CCCF)CC(C)(C)C1)[NH+](CC)CC ZINC001691819332 1405536322 /nfs/dbraw/zinc/53/63/22/1405536322.db2.gz SRBMROXNQYDUSB-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001691866995 1405586977 /nfs/dbraw/zinc/58/69/77/1405586977.db2.gz KTMLTEWNAXRTTG-ICSRJNTNSA-N 2 0 345.531 3.401 10 0 EGAERP CC[C@H](C(=O)NCC[C@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001691892976 1405615748 /nfs/dbraw/zinc/61/57/48/1405615748.db2.gz KCPPIOCSDMKHEW-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001691900795 1405624075 /nfs/dbraw/zinc/62/40/75/1405624075.db2.gz KYDCOADFLVCRBC-RTBURBONSA-N 2 0 337.552 3.290 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001691911754 1405635944 /nfs/dbraw/zinc/63/59/44/1405635944.db2.gz BIVFQIRGICXXMP-UVEXCMSLSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691959690 1405677030 /nfs/dbraw/zinc/67/70/30/1405677030.db2.gz BHYIDHWRUINZCX-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001692086947 1405766880 /nfs/dbraw/zinc/76/68/80/1405766880.db2.gz TXBKZRSCFBGEII-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)cc1C ZINC001692127683 1405786415 /nfs/dbraw/zinc/78/64/15/1405786415.db2.gz BDAKWJLOBNCVEV-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CCC1=CCCCC1 ZINC001692214604 1405847880 /nfs/dbraw/zinc/84/78/80/1405847880.db2.gz KQMXEGAARIGZLS-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001692257463 1405885235 /nfs/dbraw/zinc/88/52/35/1405885235.db2.gz DYOIKBPGUGMIBR-FQEVSTJZSA-N 2 0 345.531 3.127 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC001692334586 1405954513 /nfs/dbraw/zinc/95/45/13/1405954513.db2.gz WMEPMUYRQXCKLX-HMECNJMJSA-N 2 0 347.547 3.189 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001692380292 1405987614 /nfs/dbraw/zinc/98/76/14/1405987614.db2.gz OAHHUGUPBDEQRN-ZBWOGFRMSA-N 2 0 347.547 3.138 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001698574830 1406181854 /nfs/dbraw/zinc/18/18/54/1406181854.db2.gz GBOXWVAHAORAHH-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CCN(C(=O)[C@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001698580575 1406191880 /nfs/dbraw/zinc/19/18/80/1406191880.db2.gz DIMSZZMQEXQELP-RBUKOAKNSA-N 2 0 337.552 3.218 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732038019 1428260999 /nfs/dbraw/zinc/26/09/99/1428260999.db2.gz BAFDQJBAWNZWRA-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001732072033 1428321124 /nfs/dbraw/zinc/32/11/24/1428321124.db2.gz QSMVTSMXNFQDJK-QGZVFWFLSA-N 2 0 342.487 3.227 10 0 EGAERP CCC/C=C/CC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001732133044 1428379508 /nfs/dbraw/zinc/37/95/08/1428379508.db2.gz BZLCODAWYWJYDX-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CCCC3CCC3)CCCC2)CC[N@@H+]1C ZINC001732228452 1428475983 /nfs/dbraw/zinc/47/59/83/1428475983.db2.gz ATTGRUQTGRZQFB-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1)C1CCC1 ZINC001732232000 1428478538 /nfs/dbraw/zinc/47/85/38/1428478538.db2.gz XNITXYYBLDFJQS-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@@H]([NH2+]CC1(NC(=O)C[NH+]2CCCC2)CCCC1)c1ccc(F)cc1 ZINC001732238100 1428483913 /nfs/dbraw/zinc/48/39/13/1428483913.db2.gz YEWIRMGCRWRJDL-MRXNPFEDSA-N 2 0 347.478 3.001 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001732247755 1428491042 /nfs/dbraw/zinc/49/10/42/1428491042.db2.gz LSTDZCRFUJOVNR-UWJYYQICSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001732280686 1428512528 /nfs/dbraw/zinc/51/25/28/1428512528.db2.gz LOFIVMAKMNLBEA-GHTZIAJQSA-N 2 0 349.563 3.170 10 0 EGAERP C[C@@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732423975 1428575273 /nfs/dbraw/zinc/57/52/73/1428575273.db2.gz BSHHWEAZWXQZLX-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[NH2+]C[C@H](CC(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001732464656 1428595007 /nfs/dbraw/zinc/59/50/07/1428595007.db2.gz OOIHBHROQVSNJE-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001732494521 1428615924 /nfs/dbraw/zinc/61/59/24/1428615924.db2.gz JSPHHZQTVVBAOY-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1C ZINC001732494324 1428616041 /nfs/dbraw/zinc/61/60/41/1428616041.db2.gz SKEOIVPNWCRRPA-YLJYHZDGSA-N 2 0 345.531 3.235 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C ZINC001699112554 1412515789 /nfs/dbraw/zinc/51/57/89/1412515789.db2.gz MMVIOHGKCNFUBE-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699162864 1412546043 /nfs/dbraw/zinc/54/60/43/1412546043.db2.gz ZUUJPELSAGXHHN-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001699197930 1412567536 /nfs/dbraw/zinc/56/75/36/1412567536.db2.gz RWZMRYLYOJKADT-MRXNPFEDSA-N 2 0 349.494 3.199 10 0 EGAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699206711 1412574284 /nfs/dbraw/zinc/57/42/84/1412574284.db2.gz FRFGAZWNQQQBPJ-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001699312971 1412632584 /nfs/dbraw/zinc/63/25/84/1412632584.db2.gz BBRHVCAMQIVGPY-DVBCCOPCSA-N 2 0 333.520 3.013 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@H](C)C2)c1 ZINC001699533508 1412909788 /nfs/dbraw/zinc/90/97/88/1412909788.db2.gz LSIZGOWUBYAEIQ-HKUYNNGSSA-N 2 0 345.531 3.144 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H]2CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001699640486 1413018974 /nfs/dbraw/zinc/01/89/74/1413018974.db2.gz LSFJSRGBBKSNDF-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NCC2([NH2+]CCC(C)(C)C)CC2)cc1 ZINC001699668011 1413055674 /nfs/dbraw/zinc/05/56/74/1413055674.db2.gz IJXVODJCKPHYAS-UHFFFAOYSA-N 2 0 331.504 3.036 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001699694674 1413102900 /nfs/dbraw/zinc/10/29/00/1413102900.db2.gz GPONDJWNIZNABO-HXUWFJFHSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001699694718 1413103152 /nfs/dbraw/zinc/10/31/52/1413103152.db2.gz HNACIQMZSBLUPH-ZJOUEHCJSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[N@@H+]1CCC[C@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001699695106 1413103945 /nfs/dbraw/zinc/10/39/45/1413103945.db2.gz LAKUYOPAYGYZFR-ICSRJNTNSA-N 2 0 337.552 3.221 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699706211 1413122494 /nfs/dbraw/zinc/12/24/94/1413122494.db2.gz OPVGEISCLLTJIR-RXVVDRJESA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699743638 1413154472 /nfs/dbraw/zinc/15/44/72/1413154472.db2.gz PNQUWSHJFHZTPD-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)(C)C)[NH+]1CCCC1 ZINC001699766317 1413171367 /nfs/dbraw/zinc/17/13/67/1413171367.db2.gz FLZGYNGOLIDBPI-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCC1 ZINC001699788539 1413194570 /nfs/dbraw/zinc/19/45/70/1413194570.db2.gz CFSLEPRXTITTNC-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001699797274 1413206919 /nfs/dbraw/zinc/20/69/19/1413206919.db2.gz ZCNGURAMGRTALR-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC(C)(C)C)C1 ZINC001699842211 1413270502 /nfs/dbraw/zinc/27/05/02/1413270502.db2.gz LWJZJULPZDNEQX-XLIONFOSSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699862414 1413297092 /nfs/dbraw/zinc/29/70/92/1413297092.db2.gz VJLYLLZVNAJEEV-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001732545466 1428720716 /nfs/dbraw/zinc/72/07/16/1428720716.db2.gz GYQYWGMXUIGTRN-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCC(C)(C)C ZINC001732545460 1428720764 /nfs/dbraw/zinc/72/07/64/1428720764.db2.gz GYQYWGMXUIGTRN-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943764 1413387410 /nfs/dbraw/zinc/38/74/10/1413387410.db2.gz KAXSIXBGCMBZEM-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001732549344 1428728825 /nfs/dbraw/zinc/72/88/25/1428728825.db2.gz VZJRRLMTIIHWBC-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001700011822 1413454278 /nfs/dbraw/zinc/45/42/78/1413454278.db2.gz LKQKDZBACWYTOQ-IPMKNSEASA-N 2 0 335.536 3.115 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001700015341 1413461290 /nfs/dbraw/zinc/46/12/90/1413461290.db2.gz BEUQZTOEVRODSW-VAMGGRTRSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCC(C)(C)C ZINC001700018264 1413465208 /nfs/dbraw/zinc/46/52/08/1413465208.db2.gz XSGNNCXXQTXCMC-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]2C[N@H+](CCC(C)C)C[C@H]21)[NH+](CC)CC ZINC001700019148 1413466155 /nfs/dbraw/zinc/46/61/55/1413466155.db2.gz DJRGSTLMLWXPAP-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001700094849 1413509487 /nfs/dbraw/zinc/50/94/87/1413509487.db2.gz OEAKTCZHRHJLKI-QGZVFWFLSA-N 2 0 343.515 3.261 10 0 EGAERP Cc1cc(C[NH2+]C2(CNC(=O)C[NH+]3[C@@H](C)CC[C@@H]3C)CCC2)cs1 ZINC001700142800 1413565097 /nfs/dbraw/zinc/56/50/97/1413565097.db2.gz FIWMEYUVGXMMFL-GJZGRUSLSA-N 2 0 349.544 3.058 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001700225175 1413677242 /nfs/dbraw/zinc/67/72/42/1413677242.db2.gz YNBBAZQNHDMIJH-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557891 1428746260 /nfs/dbraw/zinc/74/62/60/1428746260.db2.gz HTSRRDXTWLWGEW-MOPGFXCFSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)C1CCCCC1)C2 ZINC001700227660 1413682909 /nfs/dbraw/zinc/68/29/09/1413682909.db2.gz RUXVQEAEWCJNSV-OAQYLSRUSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001700283388 1413729871 /nfs/dbraw/zinc/72/98/71/1413729871.db2.gz GUUHCEAMBPXQAR-ROUUACIJSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001732562478 1428752833 /nfs/dbraw/zinc/75/28/33/1428752833.db2.gz CLHLCNGSRZERHB-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC2(CC2)CC1 ZINC001732566286 1428758479 /nfs/dbraw/zinc/75/84/79/1428758479.db2.gz LRVBMHDIBCJIBW-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+](CC(=O)N1CCC[C@H]1C[N@H+](C)CCC(C)(C)C)CC(C)(C)C ZINC001700359121 1413867963 /nfs/dbraw/zinc/86/79/63/1413867963.db2.gz HBKWLRVARJKAJE-KRWDZBQOSA-N 2 0 339.568 3.323 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H](c1ccccc1)[NH+](C)CC ZINC001700366124 1413891681 /nfs/dbraw/zinc/89/16/81/1413891681.db2.gz ZYIQEKAPDMGFPK-RTBURBONSA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CCC1CCCCC1 ZINC001732571713 1428767646 /nfs/dbraw/zinc/76/76/46/1428767646.db2.gz KQVFSWNPXRKBLC-CTNGQTDRSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCCC1)[C@H](C)NC(=O)C12CCC[NH+]1CCC2 ZINC001700405627 1413943208 /nfs/dbraw/zinc/94/32/08/1413943208.db2.gz REJWMLDLSVISDD-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001700406038 1413943639 /nfs/dbraw/zinc/94/36/39/1413943639.db2.gz VQCOJEKOSSPJTB-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001700425332 1413980253 /nfs/dbraw/zinc/98/02/53/1413980253.db2.gz QKAUTXAKZDUYDL-MSOLQXFVSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001700437656 1414006005 /nfs/dbraw/zinc/00/60/05/1414006005.db2.gz LXGWYFBQHAFJND-LMDPOFIKSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001700520979 1414175929 /nfs/dbraw/zinc/17/59/29/1414175929.db2.gz JOOKEZAIAWDSJI-QRVBRYPASA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)CCC[NH+]1CCCC1 ZINC001700530390 1414196253 /nfs/dbraw/zinc/19/62/53/1414196253.db2.gz CMEWBWGMMVKCKC-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001700637507 1414304292 /nfs/dbraw/zinc/30/42/92/1414304292.db2.gz OPMLIJKDOADZJW-BZSNNMDCSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001700641009 1414306716 /nfs/dbraw/zinc/30/67/16/1414306716.db2.gz JBACUDGWUIKQDI-VJANTYMQSA-N 2 0 335.536 3.068 10 0 EGAERP CCC(CC)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001700724496 1414385730 /nfs/dbraw/zinc/38/57/30/1414385730.db2.gz JFWUBDVWNHLNGC-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)C[C@@H]1CC[N@H+](C)C1)[C@@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001700732749 1414397484 /nfs/dbraw/zinc/39/74/84/1414397484.db2.gz QGOSXLWEHGHNGB-ICSRJNTNSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001700853978 1414501325 /nfs/dbraw/zinc/50/13/25/1414501325.db2.gz OWFSUGDHPAQSPS-PXNSSMCTSA-N 2 0 345.531 3.377 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@H]12 ZINC001700869890 1414523749 /nfs/dbraw/zinc/52/37/49/1414523749.db2.gz WSHHOHWBNJPBLX-RXVVDRJESA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001701000817 1414653188 /nfs/dbraw/zinc/65/31/88/1414653188.db2.gz FPEYRCWIZDHSNO-DAWZGUTISA-N 2 0 339.568 3.273 10 0 EGAERP CCC(CC)C[NH+]1CCC(C2(NC(=O)C[N@@H+]3CC[C@@H](C)C3)CC2)CC1 ZINC001701031036 1414694321 /nfs/dbraw/zinc/69/43/21/1414694321.db2.gz URHYIMQFLZIFQZ-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001701058934 1414714825 /nfs/dbraw/zinc/71/48/25/1414714825.db2.gz NHRHTAVZQTZEON-KPDZFXRVSA-N 2 0 347.547 3.211 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2=CC[NH+](CCC3CCCCC3)CC2)C1 ZINC001701059182 1414716406 /nfs/dbraw/zinc/71/64/06/1414716406.db2.gz UOYJSOFFCXONHM-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C\CNC(=O)C[NH+]1CCC(C)CC1 ZINC001732914094 1429045187 /nfs/dbraw/zinc/04/51/87/1429045187.db2.gz OYCKGHQBGKTRCM-RURPWVQCSA-N 2 0 343.515 3.050 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c1 ZINC001732983652 1429110821 /nfs/dbraw/zinc/11/08/21/1429110821.db2.gz LWWILIUQZCZDPD-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC2CCCCC2)C1 ZINC001733009776 1429129560 /nfs/dbraw/zinc/12/95/60/1429129560.db2.gz NMUJIMUMCPKRFX-PKOBYXMFSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001733026388 1429145121 /nfs/dbraw/zinc/14/51/21/1429145121.db2.gz BHIHXWGWFHEZCX-HKUYNNGSSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)CCC[NH+]2CCCC2)c1 ZINC001733026395 1429145619 /nfs/dbraw/zinc/14/56/19/1429145619.db2.gz BJENBKOSORYLTD-RBUKOAKNSA-N 2 0 345.531 3.335 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2C[C@@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001707077620 1417187837 /nfs/dbraw/zinc/18/78/37/1417187837.db2.gz WYXGTBLORNCYHU-BGYRXZFFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001707084853 1417192055 /nfs/dbraw/zinc/19/20/55/1417192055.db2.gz LPBBTPAOLMWBTN-QXIUMYAXSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@@H](C)C[N@H+](C)CCCC1CCCC1 ZINC001733039067 1429166543 /nfs/dbraw/zinc/16/65/43/1429166543.db2.gz RQAFRVGTOLVKDF-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001707117609 1417208396 /nfs/dbraw/zinc/20/83/96/1417208396.db2.gz XCUFKXSQPMEDLZ-OKZBNKHCSA-N 2 0 337.552 3.029 10 0 EGAERP CC1CC(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001707121380 1417209700 /nfs/dbraw/zinc/20/97/00/1417209700.db2.gz HAYKZBHFKKVITN-ZUPWUQBJSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@@H+](C)CCC)C2)CC1 ZINC001707122442 1417210123 /nfs/dbraw/zinc/21/01/23/1417210123.db2.gz AILPERRBXQXWLP-QULHZPMSSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001707142452 1417220612 /nfs/dbraw/zinc/22/06/12/1417220612.db2.gz NMVPYZCVSQPHTC-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001707176674 1417229577 /nfs/dbraw/zinc/22/95/77/1417229577.db2.gz IODTYXZDUKXPPU-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2C)C1 ZINC001707244580 1417263575 /nfs/dbraw/zinc/26/35/75/1417263575.db2.gz IXYIFZRIEZQTSR-HXUWFJFHSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001707278932 1417286921 /nfs/dbraw/zinc/28/69/21/1417286921.db2.gz BIWNDUXEXBBXGK-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001707282463 1417293114 /nfs/dbraw/zinc/29/31/14/1417293114.db2.gz XUGPJYAISYPJSC-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001707437953 1417342465 /nfs/dbraw/zinc/34/24/65/1417342465.db2.gz QNKSKFNBUOZFDK-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC1CCCCCC1 ZINC001707452869 1417356225 /nfs/dbraw/zinc/35/62/25/1417356225.db2.gz UJDJOYUQDBLWRN-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CC3(CCC3)C2)C1 ZINC001713060611 1417615772 /nfs/dbraw/zinc/61/57/72/1417615772.db2.gz GSOGKVIAUJGVER-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713087379 1417634075 /nfs/dbraw/zinc/63/40/75/1417634075.db2.gz ZFXRGYJZWHHANV-PXDRNWIDSA-N 2 0 343.515 3.299 10 0 EGAERP CCCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713136235 1417717091 /nfs/dbraw/zinc/71/70/91/1417717091.db2.gz BCXDGCQJLKOENR-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccccc2)C1 ZINC001713195509 1417767444 /nfs/dbraw/zinc/76/74/44/1417767444.db2.gz WROMBRMOSYVNIE-HDICACEKSA-N 2 0 343.515 3.076 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001713195664 1417767529 /nfs/dbraw/zinc/76/75/29/1417767529.db2.gz YBGPFJLQZFICCQ-WZDWLKHJSA-N 2 0 340.471 3.240 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001713244455 1417830884 /nfs/dbraw/zinc/83/08/84/1417830884.db2.gz OVWXUUYKZGOBFM-MOPGFXCFSA-N 2 0 345.531 3.308 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001713253113 1417846373 /nfs/dbraw/zinc/84/63/73/1417846373.db2.gz NFTVIMRFJKUJQF-DLBZAZTESA-N 2 0 343.531 3.073 10 0 EGAERP C[C@H](NC(=O)CC[NH+](C)C)[C@H]1CCC[N@H+](CC2CCCCCC2)C1 ZINC001713278335 1417901312 /nfs/dbraw/zinc/90/13/12/1417901312.db2.gz SCPQGHZIUZFYBD-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713289171 1417916548 /nfs/dbraw/zinc/91/65/48/1417916548.db2.gz HOWSUQAPMLPJTD-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC2CCCCCC2)CC[N@@H+]1C ZINC001713311799 1417935740 /nfs/dbraw/zinc/93/57/40/1417935740.db2.gz YQJKXVFGYOLVJS-NZSAHSFTSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001713343498 1417965475 /nfs/dbraw/zinc/96/54/75/1417965475.db2.gz VUMLIDZLAQBDSS-SQRWCISFSA-N 2 0 349.544 3.218 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CC2CC3(CCC3)C2)C1 ZINC001713399212 1418018672 /nfs/dbraw/zinc/01/86/72/1418018672.db2.gz HZGPFZZRPJOMSA-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CCC1=CCCCC1 ZINC001713491090 1418189681 /nfs/dbraw/zinc/18/96/81/1418189681.db2.gz ZQIDTHLWWPDJSZ-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713505581 1418227984 /nfs/dbraw/zinc/22/79/84/1418227984.db2.gz FYBLJUNGSHJKPK-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001713506701 1418230229 /nfs/dbraw/zinc/23/02/29/1418230229.db2.gz YLFYXGKCXVQAOZ-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CN(CCC[NH2+]CC1CCC2(CC2)CC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001733104891 1429244108 /nfs/dbraw/zinc/24/41/08/1429244108.db2.gz JBRJTOXGLWSBAQ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]2CCC[N@@H+]2CCC2CCCCC2)CC1 ZINC001713516958 1418253318 /nfs/dbraw/zinc/25/33/18/1418253318.db2.gz ZVHOTUBIFZQGNZ-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733131293 1429255744 /nfs/dbraw/zinc/25/57/44/1429255744.db2.gz QBJXXDCMWISWSR-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CN(CCC[NH2+]CCC1=CCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001733131427 1429255920 /nfs/dbraw/zinc/25/59/20/1429255920.db2.gz SRJCSUNJGKQCIG-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713677866 1418429714 /nfs/dbraw/zinc/42/97/14/1418429714.db2.gz SBMUZYCTVDWARB-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCC(C)C)C1 ZINC001713717518 1418484693 /nfs/dbraw/zinc/48/46/93/1418484693.db2.gz MUYYHDDVOQMQJZ-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCCN(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)c1 ZINC001733146908 1429262356 /nfs/dbraw/zinc/26/23/56/1429262356.db2.gz SFFWAKLLFPIJER-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713734546 1418526002 /nfs/dbraw/zinc/52/60/02/1418526002.db2.gz PEDIQEGUMMAUKJ-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@H](CCNC(=O)CCC[NH+]2CCCC2)C1 ZINC001713742319 1418543618 /nfs/dbraw/zinc/54/36/18/1418543618.db2.gz VCZWJPNNKWGREO-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001713750731 1418552390 /nfs/dbraw/zinc/55/23/90/1418552390.db2.gz FRSJVOXVFJGLAH-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713755236 1418558422 /nfs/dbraw/zinc/55/84/22/1418558422.db2.gz XJXPPAUAIJANRK-FQQSSWHASA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713755237 1418558783 /nfs/dbraw/zinc/55/87/83/1418558783.db2.gz XJXPPAUAIJANRK-IHHMQQGQSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CC[N@H+](C)CC1CCN(C(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001713766376 1418579767 /nfs/dbraw/zinc/57/97/67/1418579767.db2.gz XULDLBZXHYQHOK-UHFFFAOYSA-N 2 0 339.568 3.181 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001713866542 1418663942 /nfs/dbraw/zinc/66/39/42/1418663942.db2.gz PIPDIQRUYKDYFB-XUVXKRRUSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001714009505 1418788941 /nfs/dbraw/zinc/78/89/41/1418788941.db2.gz LVIHQPWNAGAJJK-OKZBNKHCSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714040387 1418829736 /nfs/dbraw/zinc/82/97/36/1418829736.db2.gz PTJIBTGLQLBAAS-FNYRVFDFSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH2+]CC2=CCCCC2)C1 ZINC001714092007 1418886165 /nfs/dbraw/zinc/88/61/65/1418886165.db2.gz NTBAMTFVPXYDGB-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C ZINC001714125003 1418929358 /nfs/dbraw/zinc/92/93/58/1418929358.db2.gz LNFOBGGWMPSNMV-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@H](CNC(=O)C[N@H+](C)C(C)C)[NH2+]Cc1cccc2ccccc21 ZINC001714125289 1418929844 /nfs/dbraw/zinc/92/98/44/1418929844.db2.gz SVJVIKOSMAEXKP-LJQANCHMSA-N 2 0 341.499 3.164 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001714141018 1418943226 /nfs/dbraw/zinc/94/32/26/1418943226.db2.gz CPESLHWCXJWBES-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@](C)(C[NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001714176532 1418984417 /nfs/dbraw/zinc/98/44/17/1418984417.db2.gz PZQOQZMBBHNJLL-NQIIRXRSSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2CCC([NH2+]CCC3CCCCC3)CC2)CC1 ZINC001714195223 1419000751 /nfs/dbraw/zinc/00/07/51/1419000751.db2.gz USSITKJARBNMME-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1 ZINC001714253282 1419038073 /nfs/dbraw/zinc/03/80/73/1419038073.db2.gz JHVDQZBUEWANKT-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)C[N@H+](C)CC(C)(C)C)cc1 ZINC001714275332 1419055676 /nfs/dbraw/zinc/05/56/76/1419055676.db2.gz YQVODHSYNGADBP-KRWDZBQOSA-N 2 0 347.547 3.382 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001714289534 1419068004 /nfs/dbraw/zinc/06/80/04/1419068004.db2.gz LROUDVLLENDWHN-QGZVFWFLSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001714311945 1419092468 /nfs/dbraw/zinc/09/24/68/1419092468.db2.gz UOTSCJKBPQJRKQ-MXVIHJGJSA-N 2 0 343.515 3.345 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714408195 1419148849 /nfs/dbraw/zinc/14/88/49/1419148849.db2.gz PLFNWNQITPWHDI-ROUUACIJSA-N 2 0 337.552 3.458 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC(C)C)C1 ZINC001714455159 1419187695 /nfs/dbraw/zinc/18/76/95/1419187695.db2.gz VJMGHRMNJMPYFC-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001714516216 1419243024 /nfs/dbraw/zinc/24/30/24/1419243024.db2.gz BRRGPTUEYSNRNP-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@@H](C)c1ccccc1C ZINC001714589421 1419335774 /nfs/dbraw/zinc/33/57/74/1419335774.db2.gz ITOYTQDRZHDXOE-FHWLQOOXSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@@H+]1CC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001714651534 1419429173 /nfs/dbraw/zinc/42/91/73/1419429173.db2.gz XAKNHNNURDINEK-IRXDYDNUSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001714652054 1419429556 /nfs/dbraw/zinc/42/95/56/1419429556.db2.gz ZQTSCMUOKWUMEA-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP Cc1c(C(=O)NCC[N@H+](CC2CCCC2)C2CC2)ccc2c[nH+]cn21 ZINC001714666274 1419454578 /nfs/dbraw/zinc/45/45/78/1419454578.db2.gz AJBKLTBAIFMJBL-UHFFFAOYSA-N 2 0 340.471 3.027 10 0 EGAERP CCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714807736 1419519676 /nfs/dbraw/zinc/51/96/76/1419519676.db2.gz WLMDIAICVUWOBT-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001714811103 1419522098 /nfs/dbraw/zinc/52/20/98/1419522098.db2.gz QWXDVNXGEWMQOF-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838426 1419550841 /nfs/dbraw/zinc/55/08/41/1419550841.db2.gz ZKNFHBLZAGKBSA-WOJBJXKFSA-N 2 0 343.515 3.273 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(CCC)C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714859648 1419580406 /nfs/dbraw/zinc/58/04/06/1419580406.db2.gz IRCNZEZLDKXGJB-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CCCN(C(=O)CC[NH+]1CCCCC1)[C@H]1CC[N@H+](C[C@@H](C)CC)C1 ZINC001714867850 1419595444 /nfs/dbraw/zinc/59/54/44/1419595444.db2.gz XELOXFQJYOJXST-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(CCC)C(=O)CC2CC[NH+](C)CC2)C1 ZINC001714874903 1419609052 /nfs/dbraw/zinc/60/90/52/1419609052.db2.gz SZNQCZWQHDVOLJ-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC1CCC(C[NH+]2CC(NC(=O)C(C)(C)[N@H+](C)C3CCCC3)C2)CC1 ZINC001714938309 1419685458 /nfs/dbraw/zinc/68/54/58/1419685458.db2.gz TYCSYZIVRUKYLH-UHFFFAOYSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714980657 1419715598 /nfs/dbraw/zinc/71/55/98/1419715598.db2.gz UIGFBEOCULDPCG-MOPGFXCFSA-N 2 0 337.552 3.312 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714992136 1419724519 /nfs/dbraw/zinc/72/45/19/1419724519.db2.gz MINOYIIYRFJRJZ-MRNGTQDMSA-N 2 0 347.547 3.138 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2ccccc2)CCCC1 ZINC001715104273 1419845514 /nfs/dbraw/zinc/84/55/14/1419845514.db2.gz RAJLWYRLOLDXGD-QZTJIDSGSA-N 2 0 343.515 3.078 10 0 EGAERP CCC[NH2+]C[C@]1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC[C@@H]1C ZINC001715150979 1419895103 /nfs/dbraw/zinc/89/51/03/1419895103.db2.gz YUUJLGUZUHJCPX-QFBILLFUSA-N 2 0 325.541 3.029 10 0 EGAERP CC[C@H](F)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001715188382 1419920829 /nfs/dbraw/zinc/92/08/29/1419920829.db2.gz KVGGVXAOBJYLAP-FHWLQOOXSA-N 2 0 349.494 3.127 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001715213531 1419945668 /nfs/dbraw/zinc/94/56/68/1419945668.db2.gz CUEBENZIHJPJJN-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001715218544 1419951745 /nfs/dbraw/zinc/95/17/45/1419951745.db2.gz XIDLODXGTHMSMC-SFHVURJKSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001715301133 1420008716 /nfs/dbraw/zinc/00/87/16/1420008716.db2.gz CRJKANYDSIAKTB-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]CCC3CCCCCC3)CC2)CC[N@@H+]1C ZINC001733244914 1429388913 /nfs/dbraw/zinc/38/89/13/1429388913.db2.gz CBFGHRXIVMBRNP-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001715337739 1420041279 /nfs/dbraw/zinc/04/12/79/1420041279.db2.gz DJKXKQLLLRENNI-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)NC(=O)C[NH+]1CCCC1 ZINC001715385727 1420082555 /nfs/dbraw/zinc/08/25/55/1420082555.db2.gz ANSOIBMFUBYJFZ-VQIMIIECSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@H](C)C1)C1CCCCC1 ZINC001715401455 1420100099 /nfs/dbraw/zinc/10/00/99/1420100099.db2.gz NFVDAHRLQLHHNJ-HKUYNNGSSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001715451404 1420134004 /nfs/dbraw/zinc/13/40/04/1420134004.db2.gz YDOZDRNAULTJBR-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715461890 1420141501 /nfs/dbraw/zinc/14/15/01/1420141501.db2.gz GRKFCJKMIBSIPL-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001715467982 1420147124 /nfs/dbraw/zinc/14/71/24/1420147124.db2.gz SSTWRXQSGRCMOR-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001715478558 1420156968 /nfs/dbraw/zinc/15/69/68/1420156968.db2.gz PMBRGLQZNAKGLZ-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@H+](C)CCC1CCN(C(=O)[C@@H]2CC[NH+](C)C2)CC1 ZINC001715496973 1420178309 /nfs/dbraw/zinc/17/83/09/1420178309.db2.gz BDPVYWIHWNKZDP-PXDRNWIDSA-N 2 0 349.563 3.245 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001715568067 1420257320 /nfs/dbraw/zinc/25/73/20/1420257320.db2.gz UWIWCBDOSMZXRR-RTBURBONSA-N 2 0 337.552 3.173 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]CCC2CCCCC2)CC1)CC(C)(C)C ZINC001733256054 1429406574 /nfs/dbraw/zinc/40/65/74/1429406574.db2.gz OVJNKAKFSSMWEP-UHFFFAOYSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829337 1420359259 /nfs/dbraw/zinc/35/92/59/1420359259.db2.gz SQFBPRAYYLZKKQ-YKTDSXCKSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1F ZINC001715854327 1420368837 /nfs/dbraw/zinc/36/88/37/1420368837.db2.gz ROEXLBCHIFQVPW-MOEXGYKKSA-N 2 0 347.478 3.023 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001715911571 1420394331 /nfs/dbraw/zinc/39/43/31/1420394331.db2.gz ICPAFHIXJJAXPL-LLYBFZRZSA-N 2 0 337.895 3.003 10 0 EGAERP CCc1ccccc1C[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715923239 1420399515 /nfs/dbraw/zinc/39/95/15/1420399515.db2.gz RJLDBPUVUAZLTL-UHFFFAOYSA-N 2 0 345.531 3.014 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1C ZINC001715954215 1420420319 /nfs/dbraw/zinc/42/03/19/1420420319.db2.gz ROCUAJWHDJAGET-UYAOXDASSA-N 2 0 345.531 3.161 10 0 EGAERP CN(CC[N@H+](C)CC1=CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001716015369 1420469099 /nfs/dbraw/zinc/46/90/99/1420469099.db2.gz WQAARXUZHXTJBR-UHFFFAOYSA-N 2 0 343.515 3.252 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001716035867 1420495689 /nfs/dbraw/zinc/49/56/89/1420495689.db2.gz BLPJXAHUQLGAJI-AOIWGVFYSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001716146420 1420541484 /nfs/dbraw/zinc/54/14/84/1420541484.db2.gz QZLPIQJPZKAURY-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1ccc(Cl)cc1)[NH+](C)C ZINC001716344138 1420611970 /nfs/dbraw/zinc/61/19/70/1420611970.db2.gz QHGMBGJRGXHCOA-MFTLYIETSA-N 2 0 337.895 3.003 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@@H](C)c1cccc(F)c1 ZINC001716378208 1420623916 /nfs/dbraw/zinc/62/39/16/1420623916.db2.gz HCJJOMNWSCWEKK-JEVUSQKCSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC1CCC(C)(C)CC1 ZINC001716378247 1420624210 /nfs/dbraw/zinc/62/42/10/1420624210.db2.gz HUPRDWUMYTYQFY-SPCWZHTESA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001716414524 1420644212 /nfs/dbraw/zinc/64/42/12/1420644212.db2.gz IBQZYGBCBBDPPQ-MJGOQNOKSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716499126 1420724771 /nfs/dbraw/zinc/72/47/71/1420724771.db2.gz AMFGLTSFCXOYAO-KRWDZBQOSA-N 2 0 343.515 3.299 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)CC[NH+]1CCCCC1 ZINC001716508829 1420740455 /nfs/dbraw/zinc/74/04/55/1420740455.db2.gz QSHGDWVNRVFXDJ-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001733269045 1429430655 /nfs/dbraw/zinc/43/06/55/1429430655.db2.gz LFRYIMHNJUXUSY-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001716586885 1420769402 /nfs/dbraw/zinc/76/94/02/1420769402.db2.gz JSIGIIPKKWXLAI-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2CCC(C)(C)CC2)C2CC2)CC[N@@H+]1C ZINC001716611251 1420777300 /nfs/dbraw/zinc/77/73/00/1420777300.db2.gz FWDNRIXKZOUKGU-ATZDWAIDSA-N 2 0 349.563 3.027 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2=CCCCC2)[C@@H](CC)C1 ZINC001716639720 1420796750 /nfs/dbraw/zinc/79/67/50/1420796750.db2.gz RWRKDMXNCXVBAM-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733272373 1429434585 /nfs/dbraw/zinc/43/45/85/1429434585.db2.gz MIXNTCJQGIZZOB-MVCQKVDPSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001716665218 1420820187 /nfs/dbraw/zinc/82/01/87/1420820187.db2.gz IRFVSWUWRYZBBG-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@]2(C1)CCC[NH+](CCCC(C)C)C2 ZINC001716724171 1420881890 /nfs/dbraw/zinc/88/18/90/1420881890.db2.gz XPIRBUGYUBENKV-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH+]2CC(N(C)C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001716753514 1420904636 /nfs/dbraw/zinc/90/46/36/1420904636.db2.gz ITHMCHJPITVPEC-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1C[NH+](CCC(C)(C)C)C1)[NH+]1CCCCC1 ZINC001716753832 1420905282 /nfs/dbraw/zinc/90/52/82/1420905282.db2.gz SHIBANBJNRHKNE-GOSISDBHSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001716763522 1420910131 /nfs/dbraw/zinc/91/01/31/1420910131.db2.gz FQZOZPGEZWHXOW-WBVHZDCISA-N 2 0 340.471 3.192 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C12CC[NH+](CC1)C2 ZINC001716769758 1420914206 /nfs/dbraw/zinc/91/42/06/1420914206.db2.gz FMIKNAANKWMBFV-PKOBYXMFSA-N 2 0 347.547 3.022 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(C)(NC(=O)CCCC[NH+](C)C)CC1 ZINC001716799473 1420932637 /nfs/dbraw/zinc/93/26/37/1420932637.db2.gz GDDWHEKOPUFGFA-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001716830787 1420958103 /nfs/dbraw/zinc/95/81/03/1420958103.db2.gz XHFHPQXMMJSJHR-FQEVSTJZSA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@@]2(C)CC[N@H+](CCCCCF)C2)c1 ZINC001716853685 1420985115 /nfs/dbraw/zinc/98/51/15/1420985115.db2.gz GKUMQRRVSQLPDM-FQEVSTJZSA-N 2 0 349.494 3.082 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716864100 1420993495 /nfs/dbraw/zinc/99/34/95/1420993495.db2.gz AFPXWZLXRQDJCC-FPOVZHCZSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC(C)(C)C ZINC001716999722 1421069710 /nfs/dbraw/zinc/06/97/10/1421069710.db2.gz PPFHYTDRUXBAQZ-BCDXTJNWSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@@H](C)c1ccc(CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001717117002 1421121160 /nfs/dbraw/zinc/12/11/60/1421121160.db2.gz YHWUSGADOUJOLO-KRWDZBQOSA-N 2 0 345.531 3.485 10 0 EGAERP CCC[NH2+]C1(CC)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001717238930 1421207060 /nfs/dbraw/zinc/20/70/60/1421207060.db2.gz PKZRKZMZZRDPIC-UHFFFAOYSA-N 2 0 345.531 3.175 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+](C)C)C2 ZINC001717248210 1421219715 /nfs/dbraw/zinc/21/97/15/1421219715.db2.gz WSGNJDQRCYYIOP-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@]2(CC[NH+](CCC(C)C)C2)C1 ZINC001717247877 1421219728 /nfs/dbraw/zinc/21/97/28/1421219728.db2.gz QNZJXORYHCASCJ-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001717297050 1421240776 /nfs/dbraw/zinc/24/07/76/1421240776.db2.gz GMGZJFMFBKKDHC-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001717332289 1421267140 /nfs/dbraw/zinc/26/71/40/1421267140.db2.gz SKXBSXGDYIRCQL-ROUUACIJSA-N 2 0 337.552 3.410 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733289601 1429467691 /nfs/dbraw/zinc/46/76/91/1429467691.db2.gz SNHBRQZYXWWJJU-OLEQZPESSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@H]1C ZINC001717337263 1421274725 /nfs/dbraw/zinc/27/47/25/1421274725.db2.gz VLJFVYHSWDNEIS-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001717354596 1421288565 /nfs/dbraw/zinc/28/85/65/1421288565.db2.gz HFJZLWDAJOODMY-DUIUGDAFSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717366387 1421301978 /nfs/dbraw/zinc/30/19/78/1421301978.db2.gz ZGIGIZHSSKECSS-GBESFXJTSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C/CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001717367528 1421302914 /nfs/dbraw/zinc/30/29/14/1421302914.db2.gz MFPDWVJHTZPLPZ-FNYRVFDFSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001717377001 1421319502 /nfs/dbraw/zinc/31/95/02/1421319502.db2.gz CUWANSVSCXXYPA-UXHICEINSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]CC1CCCC1 ZINC001717410755 1421342541 /nfs/dbraw/zinc/34/25/41/1421342541.db2.gz XJAKTIKMIRESTD-KBPBESRZSA-N 2 0 337.533 3.096 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001717433369 1421361411 /nfs/dbraw/zinc/36/14/11/1421361411.db2.gz SLJKNEAHZJOPAS-ROUUACIJSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001717500057 1421443249 /nfs/dbraw/zinc/44/32/49/1421443249.db2.gz ONTKMSUDUQJGCM-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCCC1 ZINC001717524015 1421459400 /nfs/dbraw/zinc/45/94/00/1421459400.db2.gz MYZVKZNQJLMEKF-ZWKOTPCHSA-N 2 0 335.536 3.212 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2CCCC[N@@H+]2C)CCCCC1 ZINC001717525450 1421461324 /nfs/dbraw/zinc/46/13/24/1421461324.db2.gz QNRHEZXGBFQMQX-XDXAGZTOSA-N 2 0 335.536 3.236 10 0 EGAERP CC/C=C\CC[NH2+]CC1(NC(=O)CC2CC[NH+](C)CC2)CCCCC1 ZINC001717526317 1421462148 /nfs/dbraw/zinc/46/21/48/1421462148.db2.gz YGCXSIPKYQNLPC-PLNGDYQASA-N 2 0 349.563 3.483 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CCC2CCCC2)C1 ZINC001717558667 1421494568 /nfs/dbraw/zinc/49/45/68/1421494568.db2.gz JLIWGHMFCMSBEC-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1C[NH+](CCCC2CCCC2)CC1(C)C)C1CCC1 ZINC001717582111 1421508205 /nfs/dbraw/zinc/50/82/05/1421508205.db2.gz CJBDZLZZEWUDPP-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCCC2)C(C)(C)C1 ZINC001717589465 1421518427 /nfs/dbraw/zinc/51/84/27/1421518427.db2.gz PATKHXRZZSJRDS-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1ccccc1F)NC(=O)C1([NH+](C)C)CCC1 ZINC001717670293 1421559634 /nfs/dbraw/zinc/55/96/34/1421559634.db2.gz CPHSXZNYLVGTHF-CVEARBPZSA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)C[NH2+]CCC[C@@H](NC(=O)C1CC[NH+](C)CC1)c1ccccc1 ZINC001717716544 1421584767 /nfs/dbraw/zinc/58/47/67/1421584767.db2.gz DFDZYVLKQMPJKT-HXUWFJFHSA-N 2 0 345.531 3.212 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H]([NH2+]CC=C(C)C)C[C@@H]2C)o1 ZINC001717830193 1421643120 /nfs/dbraw/zinc/64/31/20/1421643120.db2.gz OXKKCSCHRDUXLH-DLBZAZTESA-N 2 0 347.503 3.280 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC1=CCCCC1)CC2 ZINC001717840556 1421655202 /nfs/dbraw/zinc/65/52/02/1421655202.db2.gz JMDZTHDPGMNIGJ-FPOVZHCZSA-N 2 0 347.547 3.332 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001717841846 1421656917 /nfs/dbraw/zinc/65/69/17/1421656917.db2.gz VWURNJNSORIHPO-MJIPRMEISA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@@H](C)C3)CCC[C@H]12 ZINC001717842704 1421658112 /nfs/dbraw/zinc/65/81/12/1421658112.db2.gz TZTWTZVFFKHPCP-WSTZPKSXSA-N 2 0 335.536 3.022 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3([NH+](C)C)CCC3)C[C@@H]21 ZINC001717847284 1421661373 /nfs/dbraw/zinc/66/13/73/1421661373.db2.gz JYHCGALQWCHEOT-GBESFXJTSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1ccccc1C[N@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001717860127 1421672558 /nfs/dbraw/zinc/67/25/58/1421672558.db2.gz HRCKEYXXZUTXSP-AZUAARDMSA-N 2 0 345.531 3.196 10 0 EGAERP Cc1c(C(=O)N2C[C@@H]([NH2+]CCC(C)C)C(C)(C)C2)ccc2c[nH+]cn21 ZINC001717897117 1421694579 /nfs/dbraw/zinc/69/45/79/1421694579.db2.gz POMDUFKJVLUKIZ-GOSISDBHSA-N 2 0 342.487 3.129 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC(C)CC1)C(=O)[C@H]1CCC[NH+]1C ZINC001717946172 1421711272 /nfs/dbraw/zinc/71/12/72/1421711272.db2.gz PFNJBZVOTNWAQS-CTWPCTMYSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCCC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717994939 1421763120 /nfs/dbraw/zinc/76/31/20/1421763120.db2.gz ZDNPHYCVDXZEDW-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+](C)C2CCCC2)CC1 ZINC001718022808 1421777544 /nfs/dbraw/zinc/77/75/44/1421777544.db2.gz JHQCLNQSWDLVPS-UHFFFAOYSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001733342131 1429525734 /nfs/dbraw/zinc/52/57/34/1429525734.db2.gz NCJHISBBUTZJBY-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCCN2C(=O)CCC[NH+](C)C)c1 ZINC001733348350 1429529957 /nfs/dbraw/zinc/52/99/57/1429529957.db2.gz GYNAEBIMAXDPTF-OALUTQOASA-N 2 0 345.531 3.287 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001733411831 1429611965 /nfs/dbraw/zinc/61/19/65/1429611965.db2.gz ZZACYUQVLTXYFE-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001733448363 1429658871 /nfs/dbraw/zinc/65/88/71/1429658871.db2.gz CASOGMOZYKBLPM-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001733465524 1429697954 /nfs/dbraw/zinc/69/79/54/1429697954.db2.gz MNKWVQCEJOOXSO-PZJWPPBQSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CCC[NH2+]CCC1CCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001723040671 1424292064 /nfs/dbraw/zinc/29/20/64/1424292064.db2.gz VULLCEXDZDQQNQ-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H](C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCCC1 ZINC001723142145 1424306997 /nfs/dbraw/zinc/30/69/97/1424306997.db2.gz KHQQPGYFOBRYJG-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001723521834 1424451319 /nfs/dbraw/zinc/45/13/19/1424451319.db2.gz RBGTWAYKTZLPLV-GOSISDBHSA-N 2 0 335.536 3.068 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001723669166 1424523029 /nfs/dbraw/zinc/52/30/29/1424523029.db2.gz PLWMYVKLARBFRY-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CCC[NH+](CCC)C3)C2)C1 ZINC001723745544 1424556962 /nfs/dbraw/zinc/55/69/62/1424556962.db2.gz ORQFMOGZLOMSHX-FPOVZHCZSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCCC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001733529149 1429736294 /nfs/dbraw/zinc/73/62/94/1429736294.db2.gz PHDBWTZICJLFSO-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001723858916 1424587795 /nfs/dbraw/zinc/58/77/95/1424587795.db2.gz OZSSGYZIELFDNB-RDJZCZTQSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001723873412 1424594076 /nfs/dbraw/zinc/59/40/76/1424594076.db2.gz HUMGRCGWHIYQQW-APWZRJJASA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1ccccc1C)[NH+](CC)CC ZINC001723969595 1424614330 /nfs/dbraw/zinc/61/43/30/1424614330.db2.gz DWZBNIBHCCTSJD-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CCC(CC)C[NH+]1CCC(C)(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001724025272 1424633142 /nfs/dbraw/zinc/63/31/42/1424633142.db2.gz GJFHDWVAHSNFLW-CALCHBBNSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)C1 ZINC001724094690 1424658653 /nfs/dbraw/zinc/65/86/53/1424658653.db2.gz JOJYMCCDQHKDFQ-AEFFLSMTSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724540979 1424902639 /nfs/dbraw/zinc/90/26/39/1424902639.db2.gz SVQVGKHCDQVIKP-DFOOCIKTSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C)C[NH2+]CCN(Cc1ccccc1)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001733570597 1429773478 /nfs/dbraw/zinc/77/34/78/1429773478.db2.gz CVGQMMOGGQUHCP-QUCCMNQESA-N 2 0 345.531 3.135 10 0 EGAERP C[N@@H+](Cc1ccccc1CNC(=O)CC[C@H]1CCC[NH+]1C)CC1CC1 ZINC001724737478 1425095773 /nfs/dbraw/zinc/09/57/73/1425095773.db2.gz BCQGAPVPMBHTQL-HXUWFJFHSA-N 2 0 343.515 3.019 10 0 EGAERP CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)CC1CC[NH+](C)CC1 ZINC001724740539 1425104861 /nfs/dbraw/zinc/10/48/61/1425104861.db2.gz IZPGMPCTINJIPD-UHFFFAOYSA-N 2 0 345.531 3.123 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CCCC(C)C)CC2 ZINC001724759435 1425130374 /nfs/dbraw/zinc/13/03/74/1425130374.db2.gz MQHQXMODANQDJQ-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724833205 1425178745 /nfs/dbraw/zinc/17/87/45/1425178745.db2.gz BXCXMSXDXRNNSN-OOFWQKGWSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CCCC2)CC1 ZINC001724836675 1425184263 /nfs/dbraw/zinc/18/42/63/1425184263.db2.gz IJDLHSFWTAFMAI-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001724849353 1425208813 /nfs/dbraw/zinc/20/88/13/1425208813.db2.gz SEMYDBFIXATAOQ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CN(CCC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)C1(C[NH+](C)C)CC1 ZINC001724855453 1425226057 /nfs/dbraw/zinc/22/60/57/1425226057.db2.gz ORMNKVBZFYGEDU-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001724901664 1425295919 /nfs/dbraw/zinc/29/59/19/1425295919.db2.gz UKDMCLLJMWCGOF-CTNGQTDRSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001724958361 1425345631 /nfs/dbraw/zinc/34/56/31/1425345631.db2.gz QQCYRJDHXKFXOB-SFHVURJKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)C[C@H]2CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001725047967 1425479010 /nfs/dbraw/zinc/47/90/10/1425479010.db2.gz NNGVHFXSKGEJTP-HXUWFJFHSA-N 2 0 345.531 3.185 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CC(C)(C)C1 ZINC001725054194 1425488845 /nfs/dbraw/zinc/48/88/45/1425488845.db2.gz SVYGOXNSQZMJOF-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCN(C(=O)CC[NH+](C)CC)C2)C1 ZINC001725056737 1425494102 /nfs/dbraw/zinc/49/41/02/1425494102.db2.gz VCWPKRMDMIMZJW-HEVSSNLLSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)C[C@H]1CCCN1C(=O)C[N@@H+](C)C(C)C ZINC001725060247 1425500394 /nfs/dbraw/zinc/50/03/94/1425500394.db2.gz SNYPIHMSULSKCJ-RTBURBONSA-N 2 0 345.531 3.319 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001725094459 1425537458 /nfs/dbraw/zinc/53/74/58/1425537458.db2.gz PDEFTGXFWRJKRE-HOTGVXAUSA-N 2 0 343.515 3.031 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001725138023 1425613942 /nfs/dbraw/zinc/61/39/42/1425613942.db2.gz LLPJFGCDIUELBZ-VIQWUECVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CCC([NH2+]C/C=C\Cl)CC1)[NH+](CC)CC ZINC001725139363 1425616590 /nfs/dbraw/zinc/61/65/90/1425616590.db2.gz YDMLULSFJXAIAF-CDKSTBGISA-N 2 0 343.943 3.219 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1Cc1ccsc1)C1CCC1 ZINC001725236401 1425822135 /nfs/dbraw/zinc/82/21/35/1425822135.db2.gz JJTVSXJGKGTKAH-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001725245592 1425863589 /nfs/dbraw/zinc/86/35/89/1425863589.db2.gz WYFCYFFSNZGWNL-SFHVURJKSA-N 2 0 337.552 3.410 10 0 EGAERP CC1(C)C[N@H+](CCCC2CCC2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001725299822 1425948686 /nfs/dbraw/zinc/94/86/86/1425948686.db2.gz SHBAAEKTDLTINK-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH2+]CCC[C@@H](C)NC(=O)c1ccc2c[nH+]cn2c1C ZINC001725401373 1426045740 /nfs/dbraw/zinc/04/57/40/1426045740.db2.gz ZNXGFLBLNVYMKD-LSDHHAIUSA-N 2 0 330.476 3.177 10 0 EGAERP CCC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001725422220 1426072713 /nfs/dbraw/zinc/07/27/13/1426072713.db2.gz RBPCAXWBQPAZKN-GUKSKWGUSA-N 2 0 349.563 3.386 10 0 EGAERP CCc1ccccc1C[N@H+](C)C1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001725426949 1426089009 /nfs/dbraw/zinc/08/90/09/1426089009.db2.gz CTZWDBGAHHFFLR-UHFFFAOYSA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C1CC1)N(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001725457259 1426122791 /nfs/dbraw/zinc/12/27/91/1426122791.db2.gz SBXAYCIKFOGLET-VQTJNVASSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001725470367 1426140762 /nfs/dbraw/zinc/14/07/62/1426140762.db2.gz ZMROLUOHBPUNGS-FQEVSTJZSA-N 2 0 343.515 3.155 10 0 EGAERP C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)[NH2+][C@H]1CCCc2ccccc21 ZINC001725512046 1426200434 /nfs/dbraw/zinc/20/04/34/1426200434.db2.gz ASOUUUPFARNPNG-PXNSSMCTSA-N 2 0 345.531 3.232 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001725559467 1426224278 /nfs/dbraw/zinc/22/42/78/1426224278.db2.gz DASDVOWTFFVJDI-VQIMIIECSA-N 2 0 342.487 3.416 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001725619309 1426282640 /nfs/dbraw/zinc/28/26/40/1426282640.db2.gz FULIAYWNGJDEKF-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001725649557 1426332221 /nfs/dbraw/zinc/33/22/21/1426332221.db2.gz HSCVXCSRCISGIA-RBUKOAKNSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001725667224 1426349627 /nfs/dbraw/zinc/34/96/27/1426349627.db2.gz XUWYZTWSQGJFDD-SJORKVTESA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)CCN(C(=O)[C@@H]2CCC[NH+]2C)C(C)C)c1 ZINC001725726305 1426387069 /nfs/dbraw/zinc/38/70/69/1426387069.db2.gz SHQPBIPWOMHECU-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)CC[NH+](C)C ZINC001725730297 1426398298 /nfs/dbraw/zinc/39/82/98/1426398298.db2.gz SLIIHMABZZWFNW-FQEVSTJZSA-N 2 0 345.531 3.185 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001725754365 1426433846 /nfs/dbraw/zinc/43/38/46/1426433846.db2.gz AYVITVWUAWYUOC-SFHVURJKSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@H]([NH2+]C1CC(N(C)C(=O)C[N@H+](C)C(C)C)C1)c1ccccc1 ZINC001725790287 1426475587 /nfs/dbraw/zinc/47/55/87/1426475587.db2.gz SHEHSHMQWVTFNT-ACBHZAAOSA-N 2 0 331.504 3.057 10 0 EGAERP CCC[NH+]1CCC(C2(NC(=O)[C@H](C)[NH+]3CCCCCC3)CC2)CC1 ZINC001725795537 1426481205 /nfs/dbraw/zinc/48/12/05/1426481205.db2.gz YCKKFADRFDAYEU-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001725825481 1426501513 /nfs/dbraw/zinc/50/15/13/1426501513.db2.gz DXRFKVFVSBAHLA-GOSISDBHSA-N 2 0 335.536 3.189 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)c2cccc3nccn32)CC1 ZINC001725831784 1426511205 /nfs/dbraw/zinc/51/12/05/1426511205.db2.gz ICYCUUMKCZFACI-ARJAWSKDSA-N 2 0 338.455 3.053 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](CCC1CCCCC1)C1CC1 ZINC001731330016 1427269184 /nfs/dbraw/zinc/26/91/84/1427269184.db2.gz SRAYFIZZKSKJHE-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001731352030 1427291451 /nfs/dbraw/zinc/29/14/51/1427291451.db2.gz JACFOKHYHQUASJ-YKMDAGRBSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](Cc2cc(C)cc(C)c2)C1)[NH+](CC)CC ZINC001731374608 1427306629 /nfs/dbraw/zinc/30/66/29/1427306629.db2.gz MNJIZNWPXPFLMF-WOJBJXKFSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CC2CC3(CCC3)C2)C1 ZINC001731419271 1427393971 /nfs/dbraw/zinc/39/39/71/1427393971.db2.gz PTRNEIHZMHJAFF-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731457507 1427433364 /nfs/dbraw/zinc/43/33/64/1427433364.db2.gz NBHSDTIMMJTLIG-CXLTZZKYSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001731506870 1427494192 /nfs/dbraw/zinc/49/41/92/1427494192.db2.gz LRXFMZGSLKYSLZ-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001731538825 1427541716 /nfs/dbraw/zinc/54/17/16/1427541716.db2.gz QGLOQFFLHBNRLE-PXPVJAHISA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CCCC[C@@H]2CNC(=O)CC[NH+](C)C)c(C)c1 ZINC001731540753 1427546476 /nfs/dbraw/zinc/54/64/76/1427546476.db2.gz LMKBYXBRPSGBQG-LJQANCHMSA-N 2 0 345.531 3.034 10 0 EGAERP CC[C@H](C(=O)NC1CCC([NH2+]CC2CCCC2)CC1)[NH+](CC)CC ZINC001731571484 1427613027 /nfs/dbraw/zinc/61/30/27/1427613027.db2.gz ICEOOWKZMCLUHL-CTWPCTMYSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001731735584 1427816051 /nfs/dbraw/zinc/81/60/51/1427816051.db2.gz CYRBWXMUCUZLKG-APWZRJJASA-N 2 0 349.494 3.073 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001731761169 1427864428 /nfs/dbraw/zinc/86/44/28/1427864428.db2.gz QYXJFNFYKWGGRD-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCC1)[NH+]1CCCCC1 ZINC001731842343 1428065544 /nfs/dbraw/zinc/06/55/44/1428065544.db2.gz PDDMFJAGFLSHKN-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CN(CC[NH2+]Cc1ccccc1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731945731 1428178510 /nfs/dbraw/zinc/17/85/10/1428178510.db2.gz AFOMESCKTVCAOZ-HXUWFJFHSA-N 2 0 343.515 3.032 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001731995689 1428204383 /nfs/dbraw/zinc/20/43/83/1428204383.db2.gz HJDZYUXXAPTGNC-GOSISDBHSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001733665024 1429858908 /nfs/dbraw/zinc/85/89/08/1429858908.db2.gz HMXHXRVPWMETSS-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCCC(C)C)C1 ZINC001733676476 1429870734 /nfs/dbraw/zinc/87/07/34/1429870734.db2.gz NDFNMFOTLQLWBT-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733769934 1429998459 /nfs/dbraw/zinc/99/84/59/1429998459.db2.gz RECXZKQWIXAXEV-XJDXJNMNSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CCC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001733779961 1430039389 /nfs/dbraw/zinc/03/93/89/1430039389.db2.gz ZXGTZXXREKLOFY-RBUKOAKNSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@H]1C ZINC001733853734 1437688046 /nfs/dbraw/zinc/68/80/46/1437688046.db2.gz NXTNMGPVPTYGLM-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C2(C)CCN(C(=O)CCC[NH+](C)C)CC2)c1 ZINC001733866265 1437693934 /nfs/dbraw/zinc/69/39/34/1437693934.db2.gz RIGJNSBWHOMAFM-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C(C)(C)C1 ZINC001733879571 1437706156 /nfs/dbraw/zinc/70/61/56/1437706156.db2.gz SALDUBWASLMFSN-OVKVCFKUSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH+](C)[C@@H]1CCc2ccccc21 ZINC001734053169 1437843153 /nfs/dbraw/zinc/84/31/53/1437843153.db2.gz JQJABECIDDGNRL-QFBILLFUSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[N@H+](C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001734066626 1437861828 /nfs/dbraw/zinc/86/18/28/1437861828.db2.gz SYTLWTFWSKPEJM-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1ccccc1C[N@@H+](C)[C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001734067338 1437862217 /nfs/dbraw/zinc/86/22/17/1437862217.db2.gz XVEMWWDOGXDUFM-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001734082433 1437869341 /nfs/dbraw/zinc/86/93/41/1437869341.db2.gz MAZUSXQFADBGCM-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001734103201 1437887920 /nfs/dbraw/zinc/88/79/20/1437887920.db2.gz GXLKKNQDMOHGQG-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001734104459 1437890060 /nfs/dbraw/zinc/89/00/60/1437890060.db2.gz UQPXPUCJFYVKCN-GOSISDBHSA-N 2 0 335.536 3.166 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1Cc1ccc(F)cc1 ZINC001734107299 1437894114 /nfs/dbraw/zinc/89/41/14/1437894114.db2.gz VEFZFPUNPLMNOM-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCCCC3)C2)CC[N@@H+]1C ZINC001734209296 1437944226 /nfs/dbraw/zinc/94/42/26/1437944226.db2.gz YCQJHGOXKYQDFC-VBSBHUPXSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[C@H]2CC[N@H+](C)C2)c1 ZINC001734258363 1437974148 /nfs/dbraw/zinc/97/41/48/1437974148.db2.gz CYTDAIHCNLNLHC-RBUKOAKNSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@H](CN(C)C(=O)C[NH+]1CCCC1)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734353739 1438071612 /nfs/dbraw/zinc/07/16/12/1438071612.db2.gz CNMPUQFHFLJLJX-QGZVFWFLSA-N 2 0 345.531 3.016 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)[C@H]1C ZINC001734403763 1438084131 /nfs/dbraw/zinc/08/41/31/1438084131.db2.gz IBJLHYOALXTXGY-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001734422787 1438090331 /nfs/dbraw/zinc/09/03/31/1438090331.db2.gz YEIMHCFYQOKFIR-ROUUACIJSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734430237 1438094197 /nfs/dbraw/zinc/09/41/97/1438094197.db2.gz ZHZDNOOVDCUTSM-AJWBFMOXSA-N 2 0 343.515 3.297 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CC[C@@H](C[NH2+]CC2CCCC2)C1 ZINC001734490148 1438130456 /nfs/dbraw/zinc/13/04/56/1438130456.db2.gz ZQMCUFBQDNKXKU-WOJBJXKFSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)C(C)(C)C ZINC001734557027 1438155755 /nfs/dbraw/zinc/15/57/55/1438155755.db2.gz VPAXEKICDXPXKX-OALUTQOASA-N 2 0 345.531 3.018 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001734583921 1438174708 /nfs/dbraw/zinc/17/47/08/1438174708.db2.gz HNKRBLGVSOQYHN-KRWDZBQOSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)C[N@H+]3[C@H](C)CC[C@@H]3C)CC2)CC1 ZINC001734603546 1438184513 /nfs/dbraw/zinc/18/45/13/1438184513.db2.gz GMMNDBIIVSYBMJ-HDICACEKSA-N 2 0 349.563 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CCCC2)CC(C)(C)C1 ZINC001750943425 1440117251 /nfs/dbraw/zinc/11/72/51/1440117251.db2.gz FYULEVNNCFUILL-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cc3cccnc32)CC1 ZINC000071871029 215902142 /nfs/dbraw/zinc/90/21/42/215902142.db2.gz VYLUKSMTUQFEJP-CQSZACIVSA-N 2 0 347.890 3.071 10 0 EGAERP [NH3+][C@H]1CCC[C@H](C(=O)NCc2cccc(C[NH+]3CCCCCC3)c2)C1 ZINC000166415059 283631301 /nfs/dbraw/zinc/63/13/01/283631301.db2.gz CIQLBYGXQKQBBI-PMACEKPBSA-N 2 0 343.515 3.196 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1cccnc1 ZINC000075603029 216644850 /nfs/dbraw/zinc/64/48/50/216644850.db2.gz ORDIVRLXEFGLLF-LAUBAEHRSA-N 2 0 339.483 3.178 10 0 EGAERP Fc1ccc(-c2nc(CC[NH2+][C@@H]3CC[N@@H+]4CCC[C@@H]4C3)co2)cc1 ZINC000091739784 218056146 /nfs/dbraw/zinc/05/61/46/218056146.db2.gz WKAFACBYOVWXRF-SJLPKXTDSA-N 2 0 329.419 3.240 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccc(OC)cc2)[C@H](C)C1 ZINC000093639699 218236641 /nfs/dbraw/zinc/23/66/41/218236641.db2.gz NZDXNDPYGYBBBU-DNVCBOLYSA-N 2 0 342.487 3.247 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000268823458 252274697 /nfs/dbraw/zinc/27/46/97/252274697.db2.gz AOBUYNCNLVJGMR-NQIIRXRSSA-N 2 0 329.532 3.219 10 0 EGAERP CN1CCC(CNC(=O)c2cccc(Cl)c2)([NH+]2CCCCC2)CC1 ZINC000172751132 144027109 /nfs/dbraw/zinc/02/71/09/144027109.db2.gz BCIOVTPMDMPYJL-UHFFFAOYSA-N 2 0 349.906 3.020 10 0 EGAERP CCO[C@H](C)c1nc(CN2CCC[C@@H]2Cn2ccnc2C)cs1 ZINC000178318311 144069470 /nfs/dbraw/zinc/06/94/70/144069470.db2.gz SEGWPUHBAGBDBK-CZUORRHYSA-N 2 0 334.489 3.410 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC1CCC([NH+]2CCC(C)CC2)CC1 ZINC000337509666 154388856 /nfs/dbraw/zinc/38/88/56/154388856.db2.gz QRJCZTIBBISIFH-ACBHZAAOSA-N 2 0 335.536 3.020 10 0 EGAERP CO[C@@H](CC[NH2+][C@H]1CCCN(Cc2ccccc2)C1)C(F)(F)F ZINC000345476248 156122388 /nfs/dbraw/zinc/12/23/88/156122388.db2.gz CRBVSAHLDKWRHZ-HOTGVXAUSA-N 2 0 330.394 3.208 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000338580662 163281261 /nfs/dbraw/zinc/28/12/61/163281261.db2.gz LURVDJVGIMAJOD-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP COc1cc(C)c(CN2CCN(c3cnccc3C)CC2)cc1OC ZINC000343642518 164001186 /nfs/dbraw/zinc/00/11/86/164001186.db2.gz SURCJVMDRACXIS-UHFFFAOYSA-N 2 0 341.455 3.038 10 0 EGAERP C[NH+](C)CC1CC[NH+](Cc2cccc(OCc3ccccn3)c2)CC1 ZINC000350176896 165016516 /nfs/dbraw/zinc/01/65/16/165016516.db2.gz PJZUPTHRVAFQEH-UHFFFAOYSA-N 2 0 339.483 3.434 10 0 EGAERP Cc1nccc(N2CCN(Cc3ccc(C(C)(C)C)s3)CC2)n1 ZINC000355360995 166174622 /nfs/dbraw/zinc/17/46/22/166174622.db2.gz DDQPAZSLXLZFMN-UHFFFAOYSA-N 2 0 330.501 3.466 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000355413780 166190317 /nfs/dbraw/zinc/19/03/17/166190317.db2.gz UVSYXSUMXMYYJM-QWFCFKBJSA-N 2 0 343.515 3.030 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)[C@@H]2CCC[C@@H]21 ZINC000367625818 168252352 /nfs/dbraw/zinc/25/23/52/168252352.db2.gz ZCIVUEZYQUIPDA-ACRUOGEOSA-N 3 0 327.516 3.245 10 0 EGAERP COc1cc([C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)ccc1F ZINC000179412676 265375031 /nfs/dbraw/zinc/37/50/31/265375031.db2.gz XNUSSFHRMNUDNC-JYJNAYRXSA-N 2 0 338.467 3.374 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)CCc2ccc(OC)c(O)c2)CC1 ZINC000277285724 267747671 /nfs/dbraw/zinc/74/76/71/267747671.db2.gz TXEUXCOPAKIOOB-INIZCTEOSA-N 2 0 334.504 3.434 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCc3ccc(O)cc32)cc1 ZINC000283973622 275764905 /nfs/dbraw/zinc/76/49/05/275764905.db2.gz GQJZFSHILGMJRR-OAQYLSRUSA-N 2 0 340.467 3.500 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287243677 276100197 /nfs/dbraw/zinc/10/01/97/276100197.db2.gz YYNFKTXHDKNCON-QIJUGHKUSA-N 2 0 338.495 3.090 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCC34CCCC4)cn2)CC1 ZINC000353273059 276202831 /nfs/dbraw/zinc/20/28/31/276202831.db2.gz GOYNTAMNCVGCTA-SFHVURJKSA-N 2 0 328.504 3.036 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@@H]2CCCN(c3ccccc3)C2=O)CC1 ZINC000360289528 276323601 /nfs/dbraw/zinc/32/36/01/276323601.db2.gz BJAGSAJVUUHCQC-HXUWFJFHSA-N 2 0 343.515 3.236 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@H]2CCC[C@@H]21 ZINC000370741055 277169619 /nfs/dbraw/zinc/16/96/19/277169619.db2.gz UIHYKGCFPJFUES-QEXNXIHPSA-N 2 0 336.520 3.349 10 0 EGAERP CC(C)n1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)cn1 ZINC000124764973 280767913 /nfs/dbraw/zinc/76/79/13/280767913.db2.gz ZBNPIEJYKKNZIE-GOSISDBHSA-N 2 0 347.551 3.065 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000414069600 309059004 /nfs/dbraw/zinc/05/90/04/309059004.db2.gz RVMQFCUWCYGHDL-KRWDZBQOSA-N 2 0 339.483 3.407 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2C[C@@H](C)O[C@H](C)C2)CC1 ZINC000128727832 307604767 /nfs/dbraw/zinc/60/47/67/307604767.db2.gz NNCSHXHGERHLCA-QZTJIDSGSA-N 2 0 345.531 3.264 10 0 EGAERP OC[C@@H]1CCC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000414327081 309073078 /nfs/dbraw/zinc/07/30/78/309073078.db2.gz BETJWCVHCUTJAB-LXHROKJGSA-N 2 0 342.527 3.428 10 0 EGAERP CO[C@@H]1CC[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C1 ZINC000248990549 308016636 /nfs/dbraw/zinc/01/66/36/308016636.db2.gz FTCHDYUQIVYZOT-FDKIHUSFSA-N 2 0 328.500 3.444 10 0 EGAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)cc1 ZINC000414816608 309103470 /nfs/dbraw/zinc/10/34/70/309103470.db2.gz QEZISLDLYWNXBH-CABCVRRESA-N 2 0 341.455 3.222 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)C[C@@H]1C ZINC000397573519 308904695 /nfs/dbraw/zinc/90/46/95/308904695.db2.gz ZUZCRCSHUQWBNJ-HBFSDRIKSA-N 2 0 330.516 3.428 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C)c(-c2ccccc2)cc1OC ZINC000414943859 309110493 /nfs/dbraw/zinc/11/04/93/309110493.db2.gz OMAITMRQSKWKJV-BEFAXECRSA-N 2 0 340.467 3.458 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1 ZINC000414943387 309110569 /nfs/dbraw/zinc/11/05/69/309110569.db2.gz NSTLDDUYVYGEJR-XHDPSFHLSA-N 2 0 338.377 3.183 10 0 EGAERP COCC1(C[NH2+][C@H](C)CCc2ccc(Cl)s2)CC[NH2+]CC1 ZINC000414970911 309112203 /nfs/dbraw/zinc/11/22/03/309112203.db2.gz IBJRMCULDTZURD-CYBMUJFWSA-N 2 0 330.925 3.328 10 0 EGAERP CCc1cccc(Cl)c1C[NH2+]C1CCC(N2CC[NH2+]CC2)CC1 ZINC000415047037 309116374 /nfs/dbraw/zinc/11/63/74/309116374.db2.gz DMIZYOJKXACVMZ-UHFFFAOYSA-N 2 0 335.923 3.208 10 0 EGAERP CSc1ccccc1C[C@H](C)[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415049888 309116580 /nfs/dbraw/zinc/11/65/80/309116580.db2.gz HVQKGZNOLQDBBF-IVMQYODDSA-N 2 0 347.572 3.146 10 0 EGAERP CCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OCC ZINC000415057351 309117327 /nfs/dbraw/zinc/11/73/27/309117327.db2.gz TZUNXFDYMHHQMA-QZTJIDSGSA-N 2 0 332.488 3.448 10 0 EGAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000415131029 309122763 /nfs/dbraw/zinc/12/27/63/309122763.db2.gz RSTDEYZVFBMGGE-TZIWHRDSSA-N 2 0 344.499 3.194 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000415947607 309150772 /nfs/dbraw/zinc/15/07/72/309150772.db2.gz WTDRAZJVFNTMNH-HZPDHXFCSA-N 2 0 332.492 3.181 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCSC[C@H]1C1CCC1 ZINC000418126509 309236521 /nfs/dbraw/zinc/23/65/21/309236521.db2.gz LNFVTJLJHJSQBI-SFHVURJKSA-N 2 0 328.485 3.293 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@H]1CC[NH2+]C1 ZINC000420405803 309286798 /nfs/dbraw/zinc/28/67/98/309286798.db2.gz UBPGXKBNFGLPHQ-RDJZCZTQSA-N 2 0 347.528 3.201 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@H]3CC(C)=C[C@@H](C)C3)CC2)CC1 ZINC000421374167 309321437 /nfs/dbraw/zinc/32/14/37/309321437.db2.gz NOXLVWRDTSXLCE-UYAOXDASSA-N 2 0 333.564 3.471 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@@H](C)CCc1ccc(Br)cc1 ZINC000422739541 309366120 /nfs/dbraw/zinc/36/61/20/309366120.db2.gz LRVRIQRLDNNGJV-BBRMVZONSA-N 2 0 343.309 3.114 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744295 309366272 /nfs/dbraw/zinc/36/62/72/309366272.db2.gz JVKZSQFQDUKXBF-UYAOXDASSA-N 2 0 327.472 3.017 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H](C)CCc1ccc2c(c1)OCO2 ZINC000422777044 309367786 /nfs/dbraw/zinc/36/77/86/309367786.db2.gz DXYPBOPGYOWHGJ-KBPBESRZSA-N 2 0 341.455 3.249 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422779952 309367831 /nfs/dbraw/zinc/36/78/31/309367831.db2.gz CLKVJLHIRLSYPS-XMTFNYHQSA-N 2 0 332.488 3.363 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+][C@H]1CCN(c2c(F)cccc2F)C1 ZINC000422867455 309372680 /nfs/dbraw/zinc/37/26/80/309372680.db2.gz SHNGBTDFCAPSCR-URLQWDBASA-N 2 0 345.437 3.092 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc(N2CCCCC2)n1 ZINC000422895308 309374753 /nfs/dbraw/zinc/37/47/53/309374753.db2.gz FKWOJKGANBSQPR-XUVXKRRUSA-N 2 0 342.531 3.472 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@H]1[NH2+][C@@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913440 309375986 /nfs/dbraw/zinc/37/59/86/309375986.db2.gz YJGJPQCBJIDCFA-NIKGAXFTSA-N 2 0 337.458 3.179 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(N[C@H](C2CC2)[C@H]2C[NH2+]CCO2)cc1 ZINC000422921669 309376169 /nfs/dbraw/zinc/37/61/69/309376169.db2.gz OOMKFVXBMVBTNF-MAODMQOUSA-N 2 0 343.515 3.240 10 0 EGAERP CC[NH+]1CCN(c2ccccc2N[C@H]2C[C@H]([NH3+])c3ccccc32)CC1 ZINC000422921204 309376304 /nfs/dbraw/zinc/37/63/04/309376304.db2.gz NRIMHPMVADYCSH-ICSRJNTNSA-N 2 0 336.483 3.385 10 0 EGAERP C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@H]1CCCC[NH2+]1 ZINC000422956024 309378099 /nfs/dbraw/zinc/37/80/99/309378099.db2.gz OEWCBSGSAAVYGR-PDOICOKGSA-N 2 0 331.504 3.238 10 0 EGAERP COc1ccc([C@H](NC[C@@H](C(C)C)[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422962171 309378479 /nfs/dbraw/zinc/37/84/79/309378479.db2.gz FDVAQYDIVBKSDV-HKBOAZHASA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422972907 309379021 /nfs/dbraw/zinc/37/90/21/309379021.db2.gz AWTHRVZFZJZNQZ-HOJAQTOUSA-N 2 0 332.488 3.019 10 0 EGAERP CC(C)[NH+](CCCN[C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422988843 309379707 /nfs/dbraw/zinc/37/97/07/309379707.db2.gz ACCLPEWUSZLAIN-CTNGQTDRSA-N 2 0 345.531 3.341 10 0 EGAERP COc1ccc([C@@H](NC2CC[NH+](C(C)(C)C)CC2)[C@H]2CCC[NH2+]2)cc1 ZINC000422998227 309380074 /nfs/dbraw/zinc/38/00/74/309380074.db2.gz VZIGUNDPQUWGBX-WOJBJXKFSA-N 2 0 345.531 3.341 10 0 EGAERP Cc1ccc([C@@H](Cn2ccnc2)[NH2+]C2CCC(C[NH3+])CC2)c(C)c1 ZINC000423004349 309380355 /nfs/dbraw/zinc/38/03/55/309380355.db2.gz ORNAHJWCFMHWQX-AFMYVXGZSA-N 2 0 326.488 3.348 10 0 EGAERP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000423022814 309381483 /nfs/dbraw/zinc/38/14/83/309381483.db2.gz FYPLVSFUELMQSJ-UHYGZKCKSA-N 2 0 331.435 3.415 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cn(C)nc1-c1ccccc1 ZINC000423029217 309381721 /nfs/dbraw/zinc/38/17/21/309381721.db2.gz HSTOFZXTJFWOBK-CQSZACIVSA-N 2 0 335.455 3.100 10 0 EGAERP Cc1oc2ccccc2c1CC[NH2+][C@@H]1CCOC[C@H]1[C@H]1CCC[NH2+]1 ZINC000423051794 309383276 /nfs/dbraw/zinc/38/32/76/309383276.db2.gz PBZWXOFHLTVGOX-IPMKNSEASA-N 2 0 328.456 3.030 10 0 EGAERP c1ccc(N2CCC(C[NH2+][C@@H]3CCC[C@H]3[C@H]3CCC[NH2+]3)CC2)cc1 ZINC000423088379 309385352 /nfs/dbraw/zinc/38/53/52/309385352.db2.gz RTTWYHMIHMADJN-PWRODBHTSA-N 2 0 327.516 3.413 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423136387 309387805 /nfs/dbraw/zinc/38/78/05/309387805.db2.gz YWEWIRDSWFDDGZ-NVXWUHKLSA-N 2 0 329.444 3.278 10 0 EGAERP COc1ccc2c(c1)[C@H](NCCC[NH2+]Cc1cccnc1)CCCO2 ZINC000423193363 309389921 /nfs/dbraw/zinc/38/99/21/309389921.db2.gz XGJLOAUPFKZVKX-LJQANCHMSA-N 2 0 341.455 3.073 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCC[C@@H]2C[NH3+])CC1 ZINC000423273764 309393658 /nfs/dbraw/zinc/39/36/58/309393658.db2.gz JIETVGHJNYTDBY-QFUCXCTJSA-N 2 0 329.532 3.189 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(OCC[NH+](C)C)cc2)cc1 ZINC000423292156 309394179 /nfs/dbraw/zinc/39/41/79/309394179.db2.gz LSBGZTLINBCCMV-IRXDYDNUSA-N 3 0 341.499 3.498 10 0 EGAERP COC(=O)COc1ccccc1[C@@H](C)[NH2+]Cc1ccc([C@H](C)[NH3+])cc1 ZINC000423295990 309394228 /nfs/dbraw/zinc/39/42/28/309394228.db2.gz YCPMEUNMELJRSV-LSDHHAIUSA-N 2 0 342.439 3.109 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423292537 309394370 /nfs/dbraw/zinc/39/43/70/309394370.db2.gz NGTCUIJKWRALQO-NYSBEXSLSA-N 3 0 337.467 3.052 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]Cc1ccc2c(c1)C[NH2+]C2 ZINC000423386592 309398169 /nfs/dbraw/zinc/39/81/69/309398169.db2.gz LYWROVKAWPXXHG-VGOFRKELSA-N 3 0 335.495 3.290 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@H](C)[NH2+][C@H]2CC[NH2+]C[C@H]2C)cc1 ZINC000423390768 309398370 /nfs/dbraw/zinc/39/83/70/309398370.db2.gz KKGDORYAFIBZQP-VKJFTORMSA-N 2 0 332.492 3.209 10 0 EGAERP [NH3+]C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423507995 309403707 /nfs/dbraw/zinc/40/37/07/309403707.db2.gz NGWHXQCIFINBFP-RULNRJAQSA-N 2 0 327.241 3.293 10 0 EGAERP CC(C)COC[C@H](O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449094856 310036772 /nfs/dbraw/zinc/03/67/72/310036772.db2.gz URKVKXNZTQKHOQ-GOSISDBHSA-N 2 0 342.568 3.289 10 0 EGAERP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449155572 310040945 /nfs/dbraw/zinc/04/09/45/310040945.db2.gz BHRNGVQFLORQDD-ZWKOTPCHSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)C2CCOCC2)CC1 ZINC000449189072 310043333 /nfs/dbraw/zinc/04/33/33/310043333.db2.gz ORCUNVGAVDINRU-ROUUACIJSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCO[C@H](C)C2)CC1 ZINC000449254089 310047700 /nfs/dbraw/zinc/04/77/00/310047700.db2.gz WHCVNRPKWNJGRK-GGPKGHCWSA-N 2 0 330.516 3.487 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H](C)c1ncc(-c2ccccc2)n1C ZINC000453136414 310260350 /nfs/dbraw/zinc/26/03/50/310260350.db2.gz UTMVCTYYGMLMHV-AEFFLSMTSA-N 2 0 344.503 3.095 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CF)CCOCC1 ZINC000453317745 310270656 /nfs/dbraw/zinc/27/06/56/310270656.db2.gz YRGMZWBZPASCNT-HKUYNNGSSA-N 2 0 334.479 3.253 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cc(C(=O)OC)ccc2Cl)CC1 ZINC000482246220 310929261 /nfs/dbraw/zinc/92/92/61/310929261.db2.gz SWLLARUXJMTBLS-UHFFFAOYSA-N 2 0 338.879 3.338 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@H]1CSc2ccccc2O1 ZINC000516570625 312330389 /nfs/dbraw/zinc/33/03/89/312330389.db2.gz CNHQJVIGCMENLE-DOMZBBRYSA-N 2 0 329.469 3.053 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000519242477 312446299 /nfs/dbraw/zinc/44/62/99/312446299.db2.gz OCVMKLIOGQGWRP-QUCCMNQESA-N 2 0 333.564 3.469 10 0 EGAERP CC[NH+](CC)Cc1cc([C@@H](C)N[C@@H]2CC[NH2+]C23CCC3)ccc1OC ZINC000530216948 313499179 /nfs/dbraw/zinc/49/91/79/313499179.db2.gz QYQBOROPVOCMIJ-OXQOHEQNSA-N 2 0 345.531 3.472 10 0 EGAERP C[C@@H](N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[C@H]1CCC[NH2+]1 ZINC000530224820 313500160 /nfs/dbraw/zinc/50/01/60/313500160.db2.gz MNQCZWQTLSJSKO-HFBAOOFYSA-N 2 0 330.303 3.326 10 0 EGAERP C[C@H](CCc1ccccc1)C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530249032 313505641 /nfs/dbraw/zinc/50/56/41/313505641.db2.gz SRNPPIOXDMJUFQ-WIYYLYMNSA-N 2 0 330.516 3.346 10 0 EGAERP C[C@@H](CC(=O)N(C)Cc1ccccc1Cl)[NH2+]CCCC[NH+](C)C ZINC000531962603 313736937 /nfs/dbraw/zinc/73/69/37/313736937.db2.gz SJZGAWGDIUHLGC-HNNXBMFYSA-N 2 0 339.911 3.008 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](CCN2CCCc3ccccc32)CC1 ZINC000536378148 314110144 /nfs/dbraw/zinc/11/01/44/314110144.db2.gz MFMUSVFDTILJOB-UHFFFAOYSA-N 2 0 329.532 3.491 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)[C@H](C)C1 ZINC000539044771 314292480 /nfs/dbraw/zinc/29/24/80/314292480.db2.gz SMYGWZFLOUCQAY-AKHDSKFASA-N 2 0 340.552 3.307 10 0 EGAERP C[C@@H](CCc1ccccc1)C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000539382621 314310228 /nfs/dbraw/zinc/31/02/28/314310228.db2.gz OBQBWIBNZSPOTF-UNMCSNQZSA-N 2 0 343.559 3.357 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000540709121 314398725 /nfs/dbraw/zinc/39/87/25/314398725.db2.gz GMZANCPAVCQHIH-WOJBJXKFSA-N 2 0 346.515 3.156 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2(O)CC[NH+](C)CC2)cc1 ZINC000540709120 314398990 /nfs/dbraw/zinc/39/89/90/314398990.db2.gz GMZANCPAVCQHIH-VQTJNVASSA-N 2 0 346.515 3.156 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCOCC2CCC2)CC1 ZINC000555233771 315374703 /nfs/dbraw/zinc/37/47/03/315374703.db2.gz GLPZCPDIADCAKV-UHFFFAOYSA-N 2 0 345.531 3.125 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+][C@H](C)C(C)(C)C[NH+](C)C ZINC000570202404 317021746 /nfs/dbraw/zinc/02/17/46/317021746.db2.gz ZDSIODGZWBZKJS-SJORKVTESA-N 2 0 336.520 3.116 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CC[C@@H](C)[NH+]1CCCCC1 ZINC000572632886 317367822 /nfs/dbraw/zinc/36/78/22/317367822.db2.gz YBFORRZWOUJKCW-MOPGFXCFSA-N 2 0 348.531 3.404 10 0 EGAERP Clc1cccc(-c2cnc(C[N@H+]3CC[C@H]4C[NH2+]C[C@H]4CC3)o2)c1 ZINC000391835324 324286958 /nfs/dbraw/zinc/28/69/58/324286958.db2.gz VDPJBKWDGWCMDL-GASCZTMLSA-N 2 0 331.847 3.426 10 0 EGAERP CCCC[NH+]1CCC([NH2+]C[C@@H](O)COc2ccccc2C(C)C)CC1 ZINC000579103867 325062831 /nfs/dbraw/zinc/06/28/31/325062831.db2.gz VNEJKLJMHCRRQS-LJQANCHMSA-N 2 0 348.531 3.404 10 0 EGAERP CCCC[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000579103865 325063072 /nfs/dbraw/zinc/06/30/72/325063072.db2.gz VNEJKLJMHCRRQS-IBGZPJMESA-N 2 0 348.531 3.404 10 0 EGAERP COc1cccc([C@@H]2[C@@H]([NH2+]C3CCC(C[NH3+])CC3)CCN2C2CC2)c1 ZINC000583928835 325563193 /nfs/dbraw/zinc/56/31/93/325563193.db2.gz SIDZTUFBCXWBSH-PJADXMEBSA-N 2 0 343.515 3.080 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+][C@H]2CCOc3c(Br)cccc32)C1 ZINC000568248486 459256461 /nfs/dbraw/zinc/25/64/61/459256461.db2.gz SJJJSBBKWOXBRO-SUNKGSAMSA-N 2 0 325.250 3.132 10 0 EGAERP CCC[N@@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC1CCCCC1 ZINC000066962101 453890802 /nfs/dbraw/zinc/89/08/02/453890802.db2.gz JJFBWTSFUBHEEX-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1ccccc1CCC[NH+]1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000084677706 454005367 /nfs/dbraw/zinc/00/53/67/454005367.db2.gz KCWOOKJPTMRAKZ-NRFANRHFSA-N 2 0 329.532 3.030 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246033015 455415863 /nfs/dbraw/zinc/41/58/63/455415863.db2.gz WFLSFSKFAWSXLR-JKIHBJOUSA-N 2 0 333.564 3.446 10 0 EGAERP C[C@H](C[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)Cc1ccccc1 ZINC000182066306 455427420 /nfs/dbraw/zinc/42/74/20/455427420.db2.gz KCLTXLQVMPZDQB-FQEVSTJZSA-N 2 0 343.559 3.405 10 0 EGAERP c1ccc([C@@H]2CC[C@@H]([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000131678141 454275820 /nfs/dbraw/zinc/27/58/20/454275820.db2.gz MZZWZMAZOMUJRO-FBBABVLZSA-N 2 0 328.500 3.413 10 0 EGAERP CCC[C@H](C)NC(=O)[C@@H](C)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000078691615 454300602 /nfs/dbraw/zinc/30/06/02/454300602.db2.gz HBDPMVVCVFYKSL-ZWKOTPCHSA-N 2 0 345.531 3.455 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CC[N@@H+]3CCC[C@@H]3C2)[C@@H]1c1ccc(Cl)cc1 ZINC000090916501 454349929 /nfs/dbraw/zinc/34/99/29/454349929.db2.gz XAMRMSZOPLRPDU-YRXWBPOGSA-N 2 0 333.907 3.302 10 0 EGAERP CC(C)CC[NH+](CCC(C)C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000064507953 454488620 /nfs/dbraw/zinc/48/86/20/454488620.db2.gz AQZHXQOBPPHDFM-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[C@H](C(=O)Nc1cccc(C[NH+]2CCSCC2)c1C)[NH+](C)C ZINC000161843275 454729327 /nfs/dbraw/zinc/72/93/27/454729327.db2.gz LUGKMMZMPHWVLZ-GOSISDBHSA-N 2 0 349.544 3.213 10 0 EGAERP Cc1ccccc1[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccccc1 ZINC000176680392 454771077 /nfs/dbraw/zinc/77/10/77/454771077.db2.gz JRKQRDATTLVJEV-QFIPXVFZSA-N 2 0 337.511 3.312 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000168662600 454926794 /nfs/dbraw/zinc/92/67/94/454926794.db2.gz GRDVWPVTTJXHPO-UHOSZYNNSA-N 2 0 343.515 3.284 10 0 EGAERP CN1CCC([NH2+][C@@H]2CCCOc3ccc(Br)cc32)CC1 ZINC000178391141 454953674 /nfs/dbraw/zinc/95/36/74/454953674.db2.gz BCJDEXIIAOXAEO-OAHLLOKOSA-N 2 0 339.277 3.347 10 0 EGAERP O[C@@H](CN[C@@H]1CCSc2ccc(Cl)cc21)C[NH+]1CCCCC1 ZINC000151287607 454964029 /nfs/dbraw/zinc/96/40/29/454964029.db2.gz WQYKNPMNJPQUNI-GOEBONIOSA-N 2 0 340.920 3.313 10 0 EGAERP CCOC(=O)[C@@H](c1ccccc1)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000179483361 455050977 /nfs/dbraw/zinc/05/09/77/455050977.db2.gz GLQONWXDUZYGPY-CGTJXYLNSA-N 2 0 327.428 3.070 10 0 EGAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC1CC[NH+](CCc2ccccc2)CC1 ZINC000151954486 455053597 /nfs/dbraw/zinc/05/35/97/455053597.db2.gz BJNJPXKWWMQUCT-WOJBJXKFSA-N 2 0 343.559 3.404 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(Cl)c2)[C@@H](C)C1 ZINC000245445220 455303300 /nfs/dbraw/zinc/30/33/00/455303300.db2.gz YRGPWSKTVAFRLC-YOEHRIQHSA-N 2 0 337.895 3.331 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC([N@H+](C)CCCO)CC1 ZINC000185309235 455536565 /nfs/dbraw/zinc/53/65/65/455536565.db2.gz IJNPYQPNTJKNJR-UHFFFAOYSA-N 2 0 327.472 3.135 10 0 EGAERP Cc1cc(C)n(-c2ccc(C[N@@H+](C)[C@@H]3CCN(C)[C@@H](C)C3)cc2)n1 ZINC000247123065 455563002 /nfs/dbraw/zinc/56/30/02/455563002.db2.gz YYROTUDDMNFYAM-OXJNMPFZSA-N 2 0 326.488 3.404 10 0 EGAERP Cc1cn2c(n1)C[C@H](C(=O)Nc1ccc(Cl)c(CN(C)C)c1)CC2 ZINC000626857601 460688205 /nfs/dbraw/zinc/68/82/05/460688205.db2.gz XETVTHAJAYJIKW-CYBMUJFWSA-N 2 0 346.862 3.108 10 0 EGAERP Fc1ccc([C@@H]([NH2+]C2CC[NH+](C[C@@H]3CCOC3)CC2)C2CC2)cc1 ZINC000271768923 455753807 /nfs/dbraw/zinc/75/38/07/455753807.db2.gz UHXSWMYMIWWZMB-YWZLYKJASA-N 2 0 332.463 3.367 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCO[C@@H]21 ZINC000278163506 455774634 /nfs/dbraw/zinc/77/46/34/455774634.db2.gz BWDSXCLXBMGARB-ZCNNSNEGSA-N 2 0 328.500 3.302 10 0 EGAERP CC(C)[C@H](O)C1(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)CC1 ZINC000271879024 455796982 /nfs/dbraw/zinc/79/69/82/455796982.db2.gz OZRCXKBOVAVLAD-HOJAQTOUSA-N 2 0 330.516 3.284 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](Cc2ccncc2)c2ccc(OC)cc2)C1 ZINC000285588103 455875388 /nfs/dbraw/zinc/87/53/88/455875388.db2.gz JCQKQQNZVPTQLI-WIYYLYMNSA-N 2 0 339.483 3.305 10 0 EGAERP C[C@H](c1nc(C(C)(C)C)no1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261602012 455911436 /nfs/dbraw/zinc/91/14/36/455911436.db2.gz AMRZWVHWGPGWLA-BMFZPTHFSA-N 2 0 328.460 3.102 10 0 EGAERP CCOc1cc(C[N@@H+]2C[C@@H](C[NH3+])[C@H](c3ccccc3)C2)ccc1OC ZINC000261618416 455915204 /nfs/dbraw/zinc/91/52/04/455915204.db2.gz DAQRLKNHSWYRNU-MOPGFXCFSA-N 2 0 340.467 3.268 10 0 EGAERP COc1cc(C)nc(CN2CC[NH2+]C[C@@H]2c2ccccc2Cl)c1 ZINC000261651690 455921359 /nfs/dbraw/zinc/92/13/59/455921359.db2.gz HILOJHXKSMSLAP-GOSISDBHSA-N 2 0 331.847 3.199 10 0 EGAERP C[C@H]([NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)CCCC1)c1ccccc1 ZINC000262262230 456019074 /nfs/dbraw/zinc/01/90/74/456019074.db2.gz GRDVWPVTTJXHPO-YTQUADARSA-N 2 0 343.515 3.284 10 0 EGAERP COCCC1(C)C[NH+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000297312553 456181880 /nfs/dbraw/zinc/18/18/80/456181880.db2.gz CKOVZPBPQLZPDW-UHFFFAOYSA-N 2 0 345.531 3.075 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000271254500 456194102 /nfs/dbraw/zinc/19/41/02/456194102.db2.gz GFCYRROOVVDISN-ILWGZMRPSA-N 2 0 339.527 3.210 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000340465337 456475433 /nfs/dbraw/zinc/47/54/33/456475433.db2.gz IUAHSFTZVCEEDE-FQEVSTJZSA-N 2 0 341.503 3.223 10 0 EGAERP COC(=O)C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000353929139 456969597 /nfs/dbraw/zinc/96/95/97/456969597.db2.gz DBDPAOYBYHKWRU-LSTHTHJFSA-N 2 0 344.499 3.350 10 0 EGAERP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCCC[NH2+]1 ZINC000390700597 457439139 /nfs/dbraw/zinc/43/91/39/457439139.db2.gz SZBINCTUYIEEFZ-XCDJFROHSA-N 2 0 327.516 3.302 10 0 EGAERP OCc1ccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cc1 ZINC000390869849 457447855 /nfs/dbraw/zinc/44/78/55/457447855.db2.gz IXEHSXAZJLKSID-FRIKZZABSA-N 2 0 336.479 3.464 10 0 EGAERP CCc1ccc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)s1 ZINC000397649713 457489993 /nfs/dbraw/zinc/48/99/93/457489993.db2.gz WITVUQIKOVHURJ-UHFFFAOYSA-N 2 0 344.524 3.427 10 0 EGAERP C[C@@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400597400 457518922 /nfs/dbraw/zinc/51/89/22/457518922.db2.gz VXQGYEWDUWPFMO-IAGOWNOFSA-N 2 0 339.524 3.098 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]CCN1[C@@H](C)CCC[C@@H]1C ZINC000361221305 457651512 /nfs/dbraw/zinc/65/15/12/457651512.db2.gz REOGEJIUNZNUQQ-JKBKZWBZSA-N 2 0 344.547 3.145 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccc(N(C)C(C)C)nc2)CC1 ZINC000361508161 457761363 /nfs/dbraw/zinc/76/13/63/457761363.db2.gz JHNMQZLWTUATGT-UHFFFAOYSA-N 2 0 332.536 3.480 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]CCC[N@@H+]1CCCO[C@@H](C)C1)CCCO2 ZINC000366789056 457899500 /nfs/dbraw/zinc/89/95/00/457899500.db2.gz JCWYRPAXWSJMCE-PKOBYXMFSA-N 2 0 332.488 3.299 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CCCCC1 ZINC000426977604 457931699 /nfs/dbraw/zinc/93/16/99/457931699.db2.gz LYMPRCDAKCSRTB-RBUKOAKNSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@](O)(C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(F)(F)F ZINC000358386855 457970122 /nfs/dbraw/zinc/97/01/22/457970122.db2.gz TZITVOLKMYOYJR-NPYXIHBLSA-N 2 0 342.405 3.085 10 0 EGAERP Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407288 457984554 /nfs/dbraw/zinc/98/45/54/457984554.db2.gz TZXOQYJIHIRXSG-CRAIPNDOSA-N 2 0 348.512 3.381 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000375897472 458114356 /nfs/dbraw/zinc/11/43/56/458114356.db2.gz HZXBPGCOGMJXLH-SLFFLAALSA-N 2 0 344.499 3.363 10 0 EGAERP CC[C@@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(C)nn(C)c1C ZINC000436471072 458309735 /nfs/dbraw/zinc/30/97/35/458309735.db2.gz QFLJNFFHPPWQJF-GOSISDBHSA-N 2 0 327.476 3.142 10 0 EGAERP C[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000447723323 458333787 /nfs/dbraw/zinc/33/37/87/458333787.db2.gz OIGSJHIBSCUMQQ-BASYENTBSA-N 2 0 345.487 3.272 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H](C)CC2(OC)CCC2)[C@@H](C)C1 ZINC000429541128 458342745 /nfs/dbraw/zinc/34/27/45/458342745.db2.gz VAWSENGFCCWLAG-BZSNNMDCSA-N 2 0 326.525 3.061 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459385370 458354272 /nfs/dbraw/zinc/35/42/72/458354272.db2.gz HELDBTVUEDBFCG-NXWXRZEISA-N 2 0 334.529 3.256 10 0 EGAERP c1c(CNCc2cccc(C[NH+]3CCCCCC3)c2)nc2ncccn12 ZINC000459389354 458355653 /nfs/dbraw/zinc/35/56/53/458355653.db2.gz NGZCOXGSJHYKKS-UHFFFAOYSA-N 2 0 349.482 3.395 10 0 EGAERP CC(C)Oc1ccc([C@@H](CNC2C[C@H]3CC[C@@H](C2)[N@H+]3C)[NH+](C)C)cc1 ZINC000376825340 458397983 /nfs/dbraw/zinc/39/79/83/458397983.db2.gz CWZDSQLGTHGAAG-SMLSOGCJSA-N 2 0 345.531 3.291 10 0 EGAERP FC(F)(F)C1CCN(C2CC([NH2+]C3CCN(C4CC4)CC3)C2)CC1 ZINC000459533320 458402025 /nfs/dbraw/zinc/40/20/25/458402025.db2.gz SWWCLTJHNSKNIL-UHFFFAOYSA-N 3 0 345.453 3.008 10 0 EGAERP Cc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)[C@@H](C)C2 ZINC000423507617 458445922 /nfs/dbraw/zinc/44/59/22/458445922.db2.gz JTGXOBCBPGWJSV-XDTATTDVSA-N 2 0 327.516 3.034 10 0 EGAERP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000423512724 458446878 /nfs/dbraw/zinc/44/68/78/458446878.db2.gz PCEOHRHDUCMNFV-GHQDRPGLSA-N 2 0 327.516 3.431 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@@H]2[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000423553190 458457039 /nfs/dbraw/zinc/45/70/39/458457039.db2.gz VWJDUEYHTKAVPC-VIPLHTEESA-N 2 0 336.483 3.227 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@@H](C)Cc2cccc(F)c2)CC1 ZINC000459753918 458468830 /nfs/dbraw/zinc/46/88/30/458468830.db2.gz DIVQBVNRKOJMHF-SFHVURJKSA-N 2 0 335.511 3.105 10 0 EGAERP COc1cc(Br)ccc1C[NH2+]CC[C@@H]1CCC[N@H+](C)C1 ZINC000459798850 458480946 /nfs/dbraw/zinc/48/09/46/458480946.db2.gz YCMLXJXDVUMWQT-ZDUSSCGKSA-N 2 0 341.293 3.279 10 0 EGAERP CC(C)[NH+]1CCC(NC2CC([NH+]3CCC(C(F)(F)F)CC3)C2)CC1 ZINC000373487415 458507258 /nfs/dbraw/zinc/50/72/58/458507258.db2.gz BYWAZWPFCCEXQI-UHFFFAOYSA-N 2 0 347.469 3.254 10 0 EGAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000373498284 458510631 /nfs/dbraw/zinc/51/06/31/458510631.db2.gz YELPAXCGLNEQPF-RWBZWWBESA-N 2 0 333.451 3.149 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]C[C@H]3CC[N@H+](CCc4ccccc4)C3)C[C@H]2C1 ZINC000424273027 458601228 /nfs/dbraw/zinc/60/12/28/458601228.db2.gz RXSYZDQPMHPSQD-BDHVOXNPSA-N 2 0 342.527 3.344 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[C@@H]1CCCC[NH+]1C ZINC000431747902 458616517 /nfs/dbraw/zinc/61/65/17/458616517.db2.gz BWOYGSBYZAONRF-FQEVSTJZSA-N 2 0 345.531 3.408 10 0 EGAERP C[C@@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471595675 458702590 /nfs/dbraw/zinc/70/25/90/458702590.db2.gz UVDHMBFDVPXOFJ-GJZGRUSLSA-N 2 0 343.968 3.338 10 0 EGAERP c1ccc2cc(CC[NH+]3CCC(CO[C@@H]4CC[NH2+]C4)CC3)ccc2c1 ZINC000530241737 458728119 /nfs/dbraw/zinc/72/81/19/458728119.db2.gz QIBKJBOESNILRK-JOCHJYFZSA-N 2 0 338.495 3.473 10 0 EGAERP C[NH+](C)[C@H]1CCc2cc(NC(=O)c3cc(-n4ccnc4)ccn3)ccc21 ZINC000566662787 458977232 /nfs/dbraw/zinc/97/72/32/458977232.db2.gz DSTFCUCHXMRGGV-IBGZPJMESA-N 2 0 347.422 3.069 10 0 EGAERP CCOC(=O)c1oc2c(c1C)[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)CCC2 ZINC000594508066 459068079 /nfs/dbraw/zinc/06/80/79/459068079.db2.gz AHFBSWRDGLSPJU-QLFBSQMISA-N 2 0 334.460 3.072 10 0 EGAERP C[N@@H+]1CC[C@@H]2[C@@H](CCC[NH+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000558423823 459157687 /nfs/dbraw/zinc/15/76/87/459157687.db2.gz PHIMKLAEMYCBHS-DOTOQJQBSA-N 2 0 328.485 3.121 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1 ZINC000595041566 459225991 /nfs/dbraw/zinc/22/59/91/459225991.db2.gz CABICGVSOIOMOF-QRQLOZEOSA-N 2 0 346.515 3.289 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@H]2CCC[C@@H]21 ZINC000559899701 459282746 /nfs/dbraw/zinc/28/27/46/459282746.db2.gz PRDUTNALAFECGR-SNPRPXQTSA-N 2 0 328.378 3.390 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(OC(F)F)c(F)c2)[C@@H]2CCC[C@H]21 ZINC000559899699 459283548 /nfs/dbraw/zinc/28/35/48/459283548.db2.gz PRDUTNALAFECGR-AEGPPILISA-N 2 0 328.378 3.390 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@H](N[C@@H]2CC[NH+](C)[C@H]3CCC[C@@H]32)C1 ZINC000560531372 459367657 /nfs/dbraw/zinc/36/76/57/459367657.db2.gz XRWYPMRYKCWAFS-PPQDBTBKSA-N 2 0 327.516 3.284 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@@H](C)C1CC[NH+](C)CC1)C(=O)OC(C)(C)C ZINC000591657978 459419525 /nfs/dbraw/zinc/41/95/25/459419525.db2.gz PCGCAQZPYOGWMT-RDJZCZTQSA-N 2 0 326.525 3.310 10 0 EGAERP Cn1cncc1CC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000569290059 459426233 /nfs/dbraw/zinc/42/62/33/459426233.db2.gz RDKCRRMPWSNQOZ-INIZCTEOSA-N 2 0 334.261 3.466 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccc3cc[nH]c3c2)(N2CCCCC2)CC1 ZINC000527664458 459691567 /nfs/dbraw/zinc/69/15/67/459691567.db2.gz DFIYHAIJAHMDBG-UHFFFAOYSA-N 2 0 340.515 3.208 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000584345290 459715839 /nfs/dbraw/zinc/71/58/39/459715839.db2.gz GINXMGXHZYOCKB-IUDNXUCKSA-N 2 0 339.886 3.346 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@@H]3CCCC[C@@H]3C)CC2)cn1 ZINC000527988512 459788713 /nfs/dbraw/zinc/78/87/13/459788713.db2.gz SWRXNONBILVABL-QFBILLFUSA-N 2 0 331.504 3.265 10 0 EGAERP C[NH+](C)C[C@@H](NC1CC[NH+](C)CC1)c1ccc(Cl)c(Cl)c1 ZINC000528007373 459794881 /nfs/dbraw/zinc/79/48/81/459794881.db2.gz FYLYFRYJOVKTMU-MRXNPFEDSA-N 2 0 330.303 3.280 10 0 EGAERP Cc1cc(C[C@@H](C)[NH2+]C2CCC(C[NH3+])CC2)n(-c2ccccc2)n1 ZINC000574268842 459798650 /nfs/dbraw/zinc/79/86/50/459798650.db2.gz BSSOTOFQALAXNW-FAEJEUNOSA-N 2 0 326.488 3.219 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000598983003 460116532 /nfs/dbraw/zinc/11/65/32/460116532.db2.gz WYHYDPRWOGFNOT-HZPDHXFCSA-N 2 0 326.525 3.453 10 0 EGAERP CCO[C@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000625424384 460168731 /nfs/dbraw/zinc/16/87/31/460168731.db2.gz UVTSPDPPYYQRNB-NHCUHLMSSA-N 2 0 328.500 3.400 10 0 EGAERP CC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1cc(C)ccc1C ZINC000626019898 460340345 /nfs/dbraw/zinc/34/03/45/460340345.db2.gz RAUBQYVUFKFYRT-FQEVSTJZSA-N 2 0 343.515 3.087 10 0 EGAERP C[N@@H+]1CC[C@H](NCc2ccc(OCC[NH+]3CCCC3)cc2)CC1(C)C ZINC000623413866 460534368 /nfs/dbraw/zinc/53/43/68/460534368.db2.gz KWDFLCRFAMIVAR-IBGZPJMESA-N 2 0 345.531 3.124 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388600 460746770 /nfs/dbraw/zinc/74/67/70/460746770.db2.gz PVMVYDZOXYSXBD-MOPGFXCFSA-N 2 0 332.488 3.207 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388607 460746926 /nfs/dbraw/zinc/74/69/26/460746926.db2.gz PVMVYDZOXYSXBD-RBUKOAKNSA-N 2 0 332.488 3.207 10 0 EGAERP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629522213 460794209 /nfs/dbraw/zinc/79/42/09/460794209.db2.gz XMIWCCRVWPBKBE-AWEZNQCLSA-N 2 0 328.909 3.308 10 0 EGAERP Brc1cnccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000629532074 460797435 /nfs/dbraw/zinc/79/74/35/460797435.db2.gz KMVLPZMHUXIGNF-ZIAGYGMSSA-N 2 0 338.293 3.056 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CC[C@@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629538738 460801159 /nfs/dbraw/zinc/80/11/59/460801159.db2.gz OMZHLEQKKKYKER-ZBFHGGJFSA-N 2 0 330.394 3.297 10 0 EGAERP COc1ccc([C@@H]([NH2+]CCOCCC[NH3+])c2ccccc2Cl)cc1 ZINC000629539555 460801446 /nfs/dbraw/zinc/80/14/46/460801446.db2.gz QDLGWQMPJFRKBC-LJQANCHMSA-N 2 0 348.874 3.393 10 0 EGAERP Cc1nccn1CCCN(C)c1nccc(N2Cc3ccccc3C2)n1 ZINC000624056805 460839141 /nfs/dbraw/zinc/83/91/41/460839141.db2.gz OLONXKGEIGDIQO-UHFFFAOYSA-N 2 0 348.454 3.028 10 0 EGAERP CCOc1cncc(C[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)c1 ZINC000621326475 460988680 /nfs/dbraw/zinc/98/86/80/460988680.db2.gz JUYNMEFSFKWVQF-UHFFFAOYSA-N 2 0 325.456 3.366 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)C1 ZINC000655164947 461109888 /nfs/dbraw/zinc/10/98/88/461109888.db2.gz LTGPVTCZMSXNEE-MRXNPFEDSA-N 2 0 347.528 3.155 10 0 EGAERP OCC1(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000652312207 461122723 /nfs/dbraw/zinc/12/27/23/461122723.db2.gz IXCBUZCEBJLPKH-OWZKRDHZSA-N 2 0 328.500 3.324 10 0 EGAERP Cc1ccc(C)c(OCCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652361801 461154227 /nfs/dbraw/zinc/15/42/27/461154227.db2.gz PMWWWNYTYWRGHV-SBHAEUEKSA-N 2 0 346.515 3.433 10 0 EGAERP Cc1cc(C)cc(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360914 461154734 /nfs/dbraw/zinc/15/47/34/461154734.db2.gz TVSISTHKXMOUDX-RLLQIKCJSA-N 2 0 332.488 3.043 10 0 EGAERP COC[C@@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1ccc(F)c(F)c1 ZINC000662284550 461164824 /nfs/dbraw/zinc/16/48/24/461164824.db2.gz ZBPOJHYBTFIMEO-LJQANCHMSA-N 2 0 332.394 3.088 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCSc3ccc(F)cc3)C2)C1 ZINC000662284234 461165840 /nfs/dbraw/zinc/16/58/40/461165840.db2.gz GGMFGOWPGJXTFV-YXJHDRRASA-N 2 0 338.492 3.136 10 0 EGAERP [NH3+]C[C@H]1CCCc2ccc(C(=O)NCC[NH2+]C3CCCCCC3)cc21 ZINC000659293441 461278971 /nfs/dbraw/zinc/27/89/71/461278971.db2.gz HURHMELISFMRBS-GOSISDBHSA-N 2 0 343.515 3.107 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]C1CC(c2cc(F)cc(F)c2)C1 ZINC000668476202 461296737 /nfs/dbraw/zinc/29/67/37/461296737.db2.gz ZZDPVXGMRUFECM-ASFAAARLSA-N 2 0 339.474 3.072 10 0 EGAERP c1ccc2c(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)ccnc2c1 ZINC000668485814 461301391 /nfs/dbraw/zinc/30/13/91/461301391.db2.gz GAYZQDGROULJDT-UHFFFAOYSA-N 2 0 332.451 3.431 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000655710675 461379434 /nfs/dbraw/zinc/37/94/34/461379434.db2.gz CDPDQKWQINUYLS-QAPCUYQASA-N 2 0 334.529 3.017 10 0 EGAERP C[C@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000655719658 461389945 /nfs/dbraw/zinc/38/99/45/461389945.db2.gz USUUXQCUTMPQLD-MAUKXSAKSA-N 2 0 334.529 3.017 10 0 EGAERP CCC1([NH+](C)C)CCN(C(=O)C[C@@H](c2ccccc2)[NH+](C)C)CC1 ZINC000634122924 461427417 /nfs/dbraw/zinc/42/74/17/461427417.db2.gz ACOKQHNEMHPXHG-SFHVURJKSA-N 2 0 331.504 3.012 10 0 EGAERP C[NH+](C)CCC[C@@H]1CN(Cc2ccccc2OCC2CC2)CCO1 ZINC000668784252 461434130 /nfs/dbraw/zinc/43/41/30/461434130.db2.gz DRZXJLMJKSKWRB-LJQANCHMSA-N 2 0 332.488 3.018 10 0 EGAERP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1cccc(Cl)c1 ZINC000655805136 461465625 /nfs/dbraw/zinc/46/56/25/461465625.db2.gz CXSCWOMXTBZCLD-MRRJBJDNSA-N 2 0 347.894 3.220 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806203 461465761 /nfs/dbraw/zinc/46/57/61/461465761.db2.gz RAGHJGQWZRCRRC-BNOWGMLFSA-N 2 0 343.284 3.449 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](CC[C@H]2CCc3ccccc32)CC1 ZINC000659910844 461494824 /nfs/dbraw/zinc/49/48/24/461494824.db2.gz UVTYMVKWCQKXEG-RTWAWAEBSA-N 2 0 341.543 3.208 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCC[C@H]4C3)CC23CC3)cc1 ZINC000647172460 461544034 /nfs/dbraw/zinc/54/40/34/461544034.db2.gz XPGLGXMZGABJPF-HKBOAZHASA-N 2 0 339.527 3.400 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@H]2CCC[N@H+](CCCc3c(F)cccc3F)C2)C1 ZINC000655939482 461546991 /nfs/dbraw/zinc/54/69/91/461546991.db2.gz IASSVMUTRNRJIP-QMTMVMCOSA-N 2 0 338.442 3.116 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cnn(-c3ccccc3C)c2)CC1 ZINC000647179814 461548168 /nfs/dbraw/zinc/54/81/68/461548168.db2.gz QJTKDEOIYMZZJA-UHFFFAOYSA-N 2 0 326.488 3.392 10 0 EGAERP c1ccc(C[NH+]2CC[C@@H](N[C@@H]3CC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000647181665 461551119 /nfs/dbraw/zinc/55/11/19/461551119.db2.gz MHIIYJHWBVBOAD-NHCUHLMSSA-N 2 0 339.527 3.258 10 0 EGAERP COc1ccc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1F ZINC000647248697 461590220 /nfs/dbraw/zinc/59/02/20/461590220.db2.gz UBEDPAJCXGJGCW-MSOLQXFVSA-N 2 0 328.431 3.269 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCS[C@@H]2C)CC1 ZINC000647257982 461593492 /nfs/dbraw/zinc/59/34/92/461593492.db2.gz HNJGFCIQLBCJOZ-SJLPKXTDSA-N 2 0 333.545 3.202 10 0 EGAERP CC(C)(C)[C@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369056 461594444 /nfs/dbraw/zinc/59/44/44/461594444.db2.gz VZAGIQZZZZJICZ-RTBURBONSA-N 2 0 330.516 3.285 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1CN[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000631195121 461635049 /nfs/dbraw/zinc/63/50/49/461635049.db2.gz TTZRGJLGQFXWAO-MISYRCLQSA-N 2 0 329.532 3.217 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2[C@@H]3CCCO[C@H]3C2(C)C)[C@H](c2ccccc2)C1 ZINC000647344499 461647826 /nfs/dbraw/zinc/64/78/26/461647826.db2.gz RUILRBGNIRJGDA-LCWAXJCOSA-N 2 0 328.500 3.125 10 0 EGAERP COc1cc2ccnc(N3CC[C@H]([NH+]4CCCCC4)C3)c2cc1OC ZINC000663576796 461709698 /nfs/dbraw/zinc/70/96/98/461709698.db2.gz HFRZJXZXDLGWJQ-INIZCTEOSA-N 2 0 341.455 3.317 10 0 EGAERP COc1ccc(C[C@H](C)C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]3)C2)cc1F ZINC000647479405 461724778 /nfs/dbraw/zinc/72/47/78/461724778.db2.gz GDFDJAARDWJIMN-VDZJLULYSA-N 2 0 334.479 3.477 10 0 EGAERP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]C2)C1 ZINC000647544394 461759072 /nfs/dbraw/zinc/75/90/72/461759072.db2.gz ZRMACMWKOJIQIZ-IRXDYDNUSA-N 2 0 326.488 3.268 10 0 EGAERP COc1ccc(-c2cnc(C[N@@H+]3CC4(C[C@@H]3C)CC[NH2+]CC4)o2)cc1 ZINC000643895295 461832421 /nfs/dbraw/zinc/83/24/21/461832421.db2.gz RXGVRZARUJLIKZ-HNNXBMFYSA-N 2 0 341.455 3.314 10 0 EGAERP Brc1ccc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656785156 461894976 /nfs/dbraw/zinc/89/49/76/461894976.db2.gz JRFXVYPRGRZGKS-AWEZNQCLSA-N 2 0 338.293 3.056 10 0 EGAERP CCOCc1cc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)ccc1OC ZINC000656785121 461896184 /nfs/dbraw/zinc/89/61/84/461896184.db2.gz IZYVULYXDIECJA-LJQANCHMSA-N 2 0 346.515 3.443 10 0 EGAERP c1nc(-c2ccncc2)sc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656786931 461898126 /nfs/dbraw/zinc/89/81/26/461898126.db2.gz XSXSHBKGVPENCY-KRWDZBQOSA-N 2 0 342.512 3.417 10 0 EGAERP COc1ccc([C@H](Cc2ccncc2)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650746840 461930407 /nfs/dbraw/zinc/93/04/07/461930407.db2.gz MGVUKDWMQSXFCJ-IBGZPJMESA-N 2 0 325.456 3.093 10 0 EGAERP CC(C)[C@@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCC(C)CC1 ZINC000657309998 462035276 /nfs/dbraw/zinc/03/52/76/462035276.db2.gz VKMVHDGMXMNWQX-HXUWFJFHSA-N 2 0 341.503 3.113 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657315352 462039160 /nfs/dbraw/zinc/03/91/60/462039160.db2.gz RDLBLIXYTQFZTB-UHFFFAOYSA-N 3 0 349.482 3.399 10 0 EGAERP CC(C)(C)[C@@H]1OCCC[C@@H]1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657363791 462073209 /nfs/dbraw/zinc/07/32/09/462073209.db2.gz CCSKLFMKENRALZ-CRAIPNDOSA-N 2 0 328.460 3.198 10 0 EGAERP C[C@H]1C[C@@H](CC[NH2+]Cc2cc3n(n2)CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657414553 462107808 /nfs/dbraw/zinc/10/78/08/462107808.db2.gz BDQKTOWEFZIUPS-PKOBYXMFSA-N 2 0 338.499 3.220 10 0 EGAERP COc1cccc(C(C)(C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657414182 462108022 /nfs/dbraw/zinc/10/80/22/462108022.db2.gz JRRAHHFFTXBLBP-UHFFFAOYSA-N 2 0 336.439 3.343 10 0 EGAERP Fc1ccc(C2(C[NH2+]Cc3ccnn3-c3cc[nH+]cc3)CC2)c(F)c1 ZINC000657419657 462112265 /nfs/dbraw/zinc/11/22/65/462112265.db2.gz DDAOJCKUYYWBKK-UHFFFAOYSA-N 2 0 340.377 3.367 10 0 EGAERP Cc1ccccc1OCCC[N@@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667533874 462130760 /nfs/dbraw/zinc/13/07/60/462130760.db2.gz DRMDVRYLMHSNBV-UHFFFAOYSA-N 2 0 336.439 3.477 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000664659400 462143659 /nfs/dbraw/zinc/14/36/59/462143659.db2.gz XCKXSJJUHOJFQX-KRWDZBQOSA-N 2 0 327.472 3.399 10 0 EGAERP c1cc2cc(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)ccc2[nH]1 ZINC000657538338 462172017 /nfs/dbraw/zinc/17/20/17/462172017.db2.gz ZLBMYFARJDJSRV-UHFFFAOYSA-N 2 0 327.472 3.149 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1ccc(C(F)(F)F)cc1 ZINC000657573317 462187007 /nfs/dbraw/zinc/18/70/07/462187007.db2.gz JDAWKQRCIIPYGU-AWEZNQCLSA-N 2 0 331.426 3.067 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3nccc4ccccc43)cc2)C1 ZINC000657594269 462195548 /nfs/dbraw/zinc/19/55/48/462195548.db2.gz HYKUYNKPDFTNBX-FQEVSTJZSA-N 2 0 347.462 3.091 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccsc3Cl)cc2)C1 ZINC000657594517 462196105 /nfs/dbraw/zinc/19/61/05/462196105.db2.gz BEODOCPPSSOIBC-MRXNPFEDSA-N 2 0 336.888 3.258 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(C(F)F)cc3)cc2)C1 ZINC000657594903 462197146 /nfs/dbraw/zinc/19/71/46/462197146.db2.gz FHTLFJXHSJTPEQ-IBGZPJMESA-N 2 0 346.421 3.481 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc(Cl)c(F)c3)cc2)C1 ZINC000657594932 462197270 /nfs/dbraw/zinc/19/72/70/462197270.db2.gz LHODFVIVPDKJSA-QGZVFWFLSA-N 2 0 348.849 3.336 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cccc(Cl)c3)cc2)C1 ZINC000657594358 462198030 /nfs/dbraw/zinc/19/80/30/462198030.db2.gz PKJHRKHYBOXEAC-LJQANCHMSA-N 2 0 330.859 3.196 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H](C)COC)cc2)[C@H](C)C1 ZINC000667666746 462202020 /nfs/dbraw/zinc/20/20/20/462202020.db2.gz XBRJRQVETQISLS-HLIPFELVSA-N 2 0 334.504 3.262 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH+]2CCC3(CCC(O)CC3)CC2)cc1 ZINC000648626741 462207331 /nfs/dbraw/zinc/20/73/31/462207331.db2.gz JKPGIMOFVHYOFL-UHFFFAOYSA-N 2 0 346.515 3.144 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000657937708 462323208 /nfs/dbraw/zinc/32/32/08/462323208.db2.gz KVZTYQIQVPUMDT-LJQANCHMSA-N 2 0 344.499 3.005 10 0 EGAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651749691 462324447 /nfs/dbraw/zinc/32/44/47/462324447.db2.gz GGRXJLMIJNLWID-SFHVURJKSA-N 2 0 338.499 3.037 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753340 462326281 /nfs/dbraw/zinc/32/62/81/462326281.db2.gz NRBNDKMOYBHQLC-HIFRSBDPSA-N 2 0 328.859 3.413 10 0 EGAERP C[C@H](NC[C@@H]1CC[N@@H+]1C(C)(C)C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000658053961 462358813 /nfs/dbraw/zinc/35/88/13/462358813.db2.gz CDZBJFWDAAHRBV-IHPCNDPISA-N 2 0 329.532 3.359 10 0 EGAERP CC(C)C[N@H+](C)CCCNC1CC[NH+](CCc2ccccc2)CC1 ZINC000651865688 462359618 /nfs/dbraw/zinc/35/96/18/462359618.db2.gz DMJBXYULTNGZIW-UHFFFAOYSA-N 2 0 331.548 3.261 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)c1ccccn1)c1cccc(OCC[NH+](C)C)c1 ZINC000658063628 462363925 /nfs/dbraw/zinc/36/39/25/462363925.db2.gz KQVSPFQOJMXREC-DLBZAZTESA-N 2 0 327.472 3.476 10 0 EGAERP Cc1c([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cnn1C(C)C ZINC000658069191 462366038 /nfs/dbraw/zinc/36/60/38/462366038.db2.gz CMBFHXYAYAUXND-INIZCTEOSA-N 2 0 348.535 3.314 10 0 EGAERP COC[C@H](CC[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)OC ZINC000658081112 462374580 /nfs/dbraw/zinc/37/45/80/462374580.db2.gz FXGXFFLSJAVAPE-KRWDZBQOSA-N 2 0 328.541 3.307 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1nsc2ccccc12 ZINC000665276024 462379987 /nfs/dbraw/zinc/37/99/87/462379987.db2.gz XBCOIIVKOUJXDD-LBPRGKRZSA-N 2 0 326.469 3.352 10 0 EGAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277264 462381141 /nfs/dbraw/zinc/38/11/41/462381141.db2.gz XWUWDBWZBWHBRH-CEWLAPEOSA-N 2 0 341.543 3.409 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H](C)c2ccc(Cl)s2)CC1 ZINC000665285727 462384296 /nfs/dbraw/zinc/38/42/96/462384296.db2.gz VERDCAIBXCYYRC-LBPRGKRZSA-N 2 0 343.924 3.043 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000665287646 462385359 /nfs/dbraw/zinc/38/53/59/462385359.db2.gz QRURXBRTASYLRH-VQIMIIECSA-N 2 0 343.515 3.124 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2C[C@H](C)CC[C@@H]2C(C)C)CC1 ZINC000665287650 462385712 /nfs/dbraw/zinc/38/57/12/462385712.db2.gz QTWNSRFVUQMHBP-BHIYHBOVSA-N 2 0 337.552 3.027 10 0 EGAERP CCc1cccnc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658137042 462400326 /nfs/dbraw/zinc/40/03/26/462400326.db2.gz IMHYJLBTLXADBT-JXFKEZNVSA-N 2 0 339.483 3.061 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)o1 ZINC000658137614 462401736 /nfs/dbraw/zinc/40/17/36/462401736.db2.gz KNTQILKJNJGPSS-HNAYVOBHSA-N 2 0 328.456 3.314 10 0 EGAERP COc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138763 462402850 /nfs/dbraw/zinc/40/28/50/462402850.db2.gz NUHXMMSMYUJJAS-YOEHRIQHSA-N 2 0 346.496 3.174 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]Cc1ccc(C[N@@H+]3CC[C@H](O)C3)cc1)CC2 ZINC000658140270 462403756 /nfs/dbraw/zinc/40/37/56/462403756.db2.gz PGWDVDDTDNJCCZ-UNMCSNQZSA-N 2 0 336.479 3.339 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)C(C)(C)C(F)F ZINC000658142166 462405545 /nfs/dbraw/zinc/40/55/45/462405545.db2.gz YYZHSOAEUZEZJW-CZUORRHYSA-N 2 0 326.431 3.023 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+](Cc2ccccc2F)CC2CC2)CC1 ZINC000661793708 462414405 /nfs/dbraw/zinc/41/44/05/462414405.db2.gz QWXMOHIDYMUSEZ-UHFFFAOYSA-N 2 0 347.522 3.454 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139954 462447168 /nfs/dbraw/zinc/44/71/68/462447168.db2.gz ZTHPEHXOHGMPPG-NQIIRXRSSA-N 2 0 344.547 3.319 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCOC1 ZINC000658319488 462475268 /nfs/dbraw/zinc/47/52/68/462475268.db2.gz CKYQCKLTLLMHFI-IHPCNDPISA-N 2 0 328.500 3.303 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)c1ccnn1C ZINC000658318296 462475335 /nfs/dbraw/zinc/47/53/35/462475335.db2.gz OVACSVFHFWVRMG-HKUYNNGSSA-N 2 0 338.499 3.373 10 0 EGAERP C[C@@H]([NH2+][C@H](C1CC1)C1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652246062 462487937 /nfs/dbraw/zinc/48/79/37/462487937.db2.gz KEWKLUZPALVDOP-IIBYNOLFSA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H]([NH2+][C@@H](Cc1ccccc1)c1nccn1C)C1CC[NH+](C)CC1 ZINC000652274822 462495905 /nfs/dbraw/zinc/49/59/05/462495905.db2.gz WUSLMVGGZSNBFJ-LPHOPBHVSA-N 2 0 326.488 3.024 10 0 EGAERP CCn1c(C[N@@H+]2CCC[C@H]([C@H]3CCC[NH2+]C3)C2)nc2cc(F)ccc21 ZINC000649417781 462504281 /nfs/dbraw/zinc/50/42/81/462504281.db2.gz GWGGLWLDPJORCZ-HOTGVXAUSA-N 2 0 344.478 3.407 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H]2CCN(Cc3ccccn3)C[C@H]2C)CC1 ZINC000246975914 535451862 /nfs/dbraw/zinc/45/18/62/535451862.db2.gz IRFCDWBURJIRQI-NQIIRXRSSA-N 2 0 344.547 3.004 10 0 EGAERP Cc1cnc(CC[N@@H+](C)Cc2ccc(OCC[NH+](C)C)cc2)s1 ZINC000093773481 546686111 /nfs/dbraw/zinc/68/61/11/546686111.db2.gz TUCCTOMUBGJHCQ-UHFFFAOYSA-N 2 0 333.501 3.066 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CC[NH+](C)CC1 ZINC000164028198 546977650 /nfs/dbraw/zinc/97/76/50/546977650.db2.gz GKPIWCNWEXNIDE-SFHVURJKSA-N 3 0 329.532 3.492 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3ccc(F)cc3F)C2)[C@H]2CCC[C@H]21 ZINC000671746451 548351044 /nfs/dbraw/zinc/35/10/44/548351044.db2.gz MRQPIXIVFPZOBQ-XYVMCAHJSA-N 2 0 335.442 3.006 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CN1CC[NH+](Cc2ccccc2C2CC2)CC1 ZINC000678242137 549439798 /nfs/dbraw/zinc/43/97/98/549439798.db2.gz YITNHETXPASNMA-FQEVSTJZSA-N 2 0 327.516 3.166 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)n1 ZINC000678428683 549489882 /nfs/dbraw/zinc/48/98/82/549489882.db2.gz RUIJEEMCSQSRGO-GOSISDBHSA-N 2 0 344.547 3.299 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@@H](C)C1 ZINC000678598980 549528307 /nfs/dbraw/zinc/52/83/07/549528307.db2.gz WDNHFXQILXFAIK-FHWLQOOXSA-N 2 0 340.552 3.308 10 0 EGAERP c1ccc(-c2ncc3c(n2)CC[C@H]([NH2+][C@@H]2CC[N@@H+]4CCC[C@H]4C2)C3)cc1 ZINC000679022340 549617003 /nfs/dbraw/zinc/61/70/03/549617003.db2.gz DATYIKYOXODCCE-ZCNNSNEGSA-N 2 0 348.494 3.217 10 0 EGAERP C[NH+](C)CCOc1ccc(CN(CCC[NH3+])c2ccccc2F)cc1 ZINC000680335870 549851214 /nfs/dbraw/zinc/85/12/14/549851214.db2.gz MDBBAGGWBGIQAY-UHFFFAOYSA-N 2 0 345.462 3.122 10 0 EGAERP CO[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC[C@@H]1C ZINC000682245884 550086070 /nfs/dbraw/zinc/08/60/70/550086070.db2.gz VMZRLYLXISKIIV-PXNSSMCTSA-N 2 0 332.488 3.018 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000684370227 550320458 /nfs/dbraw/zinc/32/04/58/550320458.db2.gz QENHKMBZIGBPKL-MOPGFXCFSA-N 2 0 334.504 3.454 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000684370228 550320613 /nfs/dbraw/zinc/32/06/13/550320613.db2.gz QENHKMBZIGBPKL-OALUTQOASA-N 2 0 334.504 3.454 10 0 EGAERP CO[C@@H]1CCC[C@H]([NH2+][C@@H](C)c2cc(F)ccc2N2CC[NH+](C)CC2)C1 ZINC000684378040 550321910 /nfs/dbraw/zinc/32/19/10/550321910.db2.gz RNKJAMIWMLLFPH-RYQLBKOJSA-N 2 0 349.494 3.186 10 0 EGAERP CO[C@H]1CCC[C@@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684391626 550323892 /nfs/dbraw/zinc/32/38/92/550323892.db2.gz CPTWVOMITMWLCP-CTNGQTDRSA-N 2 0 346.515 3.251 10 0 EGAERP Cc1cccc(N2CC[NH+](CCCC[NH2+]Cc3ccoc3)CC2)c1 ZINC000727465451 574669568 /nfs/dbraw/zinc/66/95/68/574669568.db2.gz IEAYIUIWJMHDKH-UHFFFAOYSA-N 2 0 327.472 3.280 10 0 EGAERP COCc1ccc(CN[C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)o1 ZINC000382489158 576253375 /nfs/dbraw/zinc/25/33/75/576253375.db2.gz MJPOZJWEHKXZIS-DUXKGJEZSA-N 2 0 340.467 3.426 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H](C[NH2+][C@@H](C)CC(=O)Nc2ccccc2)C1 ZINC000123281635 1293439910 /nfs/dbraw/zinc/43/99/10/1293439910.db2.gz DGKIFEWUBHQDIF-ROUUACIJSA-N 2 0 331.504 3.361 10 0 EGAERP CCCCC[C@@H](C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1)C(C)C ZINC000870020496 1295598926 /nfs/dbraw/zinc/59/89/26/1295598926.db2.gz RHSIJAYSHQYWJL-GUDVDZBRSA-N 2 0 339.568 3.037 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC34CC(C3)C[NH2+]4)cc2)C1 ZINC000870865686 1296121317 /nfs/dbraw/zinc/12/13/17/1296121317.db2.gz CFGXDIOFGAPBHO-SRWJYRBRSA-N 2 0 341.499 3.389 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+][C@H]1CCO[C@H](C(C)(C)C)C1 ZINC000872073413 1296718170 /nfs/dbraw/zinc/71/81/70/1296718170.db2.gz QPWQYAZARQQOMJ-HKUYNNGSSA-N 2 0 349.519 3.095 10 0 EGAERP COc1ccnc(C[N@@H+]2CCC[C@H](C[C@@H]([NH3+])C3CCCC3)C2)c1OC ZINC000872158770 1296780573 /nfs/dbraw/zinc/78/05/73/1296780573.db2.gz XQPQLSOHAGFCNE-NVXWUHKLSA-N 2 0 347.503 3.218 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C[C@@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000872230009 1296833008 /nfs/dbraw/zinc/83/30/08/1296833008.db2.gz UXVHFIDUUAIZST-BLDCVEFLSA-N 2 0 328.859 3.365 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCN(C[C@H]([NH3+])Cc2ccccc2)CC1 ZINC000717600714 1298302545 /nfs/dbraw/zinc/30/25/45/1298302545.db2.gz PFNFCQQQSUVWJF-OAQYLSRUSA-N 2 0 337.511 3.153 10 0 EGAERP c1ccc(C[NH+]2CCC[C@@H]3C[N@H+](C[C@@H]4C[C@]45CCOC5)CC[C@@H]32)cc1 ZINC000886043666 1303332623 /nfs/dbraw/zinc/33/26/23/1303332623.db2.gz HORZTEMEOLHASR-MLNNCEHLSA-N 2 0 340.511 3.400 10 0 EGAERP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872422 1303620735 /nfs/dbraw/zinc/62/07/35/1303620735.db2.gz RXIFBINYDDOQDL-LEWJYISDSA-N 2 0 344.499 3.210 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]CC[C@H]1C[C@H](C)[N@@H+](Cc2ccccc2)C1 ZINC000894359459 1306358878 /nfs/dbraw/zinc/35/88/78/1306358878.db2.gz PKZRSDHIHFHSPP-HKUYNNGSSA-N 2 0 338.499 3.363 10 0 EGAERP CCOC(=O)[C@H](C)[C@@H](C)[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894454772 1308896616 /nfs/dbraw/zinc/89/66/16/1308896616.db2.gz XRTPBFSOEHCIGJ-AFKBCAQJSA-N 2 0 344.499 3.217 10 0 EGAERP C[C@@H]1C[N@H+](C)CC[C@H]1N(C)Cc1ccc(C(=O)OC(C)(C)C)s1 ZINC000894783397 1309069095 /nfs/dbraw/zinc/06/90/95/1309069095.db2.gz SZUBALMNONPXJR-UKRRQHHQSA-N 2 0 338.517 3.475 10 0 EGAERP C[C@@H]1CN(Cc2c[nH]c(-c3ccccc3)n2)CCN1c1cc[nH+]cc1 ZINC000895558526 1309399851 /nfs/dbraw/zinc/39/98/51/1309399851.db2.gz XIEAIJBYJKRUGR-MRXNPFEDSA-N 2 0 333.439 3.182 10 0 EGAERP CCC1([NH+]2CCCCC2)CCN(C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC000915130359 1319430371 /nfs/dbraw/zinc/43/03/71/1319430371.db2.gz DQSZTFUHEGDDEU-HDICACEKSA-N 2 0 335.536 3.116 10 0 EGAERP FCCn1cc(C[NH2+]Cc2ccc(C[NH+]3CCCCC3)cc2)cn1 ZINC000921508642 1322333450 /nfs/dbraw/zinc/33/34/50/1322333450.db2.gz XLEGSTZMFKYUJT-UHFFFAOYSA-N 2 0 330.451 3.128 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+]C[C@@H](C)CN2CC[NH+](C)CC2)c1Cl ZINC000921685606 1322377770 /nfs/dbraw/zinc/37/77/70/1322377770.db2.gz IRXYBXWADIAKIT-CYBMUJFWSA-N 2 0 344.330 3.275 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]4COCC[C@@H]4C3)CC2)cc[nH+]1 ZINC000921960880 1322430579 /nfs/dbraw/zinc/43/05/79/1322430579.db2.gz LBWISTMAPSJBSS-CEXWTWQISA-N 2 0 329.488 3.093 10 0 EGAERP c1ccc(CN2CC[C@@H]([NH2+]C[C@@H]3C=C[C@H]4C[C@@H]3CO4)CC23CC3)cc1 ZINC000922716472 1322601033 /nfs/dbraw/zinc/60/10/33/1322601033.db2.gz ABHNIWUYMJBMCA-BQJUDKOJSA-N 2 0 338.495 3.364 10 0 EGAERP COCc1c(C)cc(C)c(C[NH2+]C[C@H]2CCN2C2CCOCC2)c1C ZINC000922954070 1322659617 /nfs/dbraw/zinc/65/96/17/1322659617.db2.gz GJSITJWQAQQURF-LJQANCHMSA-N 2 0 346.515 3.101 10 0 EGAERP c1nn(-c2ccccc2)c2c1C[N@H+](CCC1C[C@H]3CC[C@@H](C1)[NH2+]3)CC2 ZINC000923314455 1322732221 /nfs/dbraw/zinc/73/22/21/1322732221.db2.gz HWGFFAWGPRZJRZ-JLYLLQBASA-N 2 0 336.483 3.151 10 0 EGAERP C[C@@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C[C@H]1CC[NH3+] ZINC000923428501 1322750485 /nfs/dbraw/zinc/75/04/85/1322750485.db2.gz HUXXFKGFRMCORP-JJAZEVLHSA-N 2 0 342.405 3.085 10 0 EGAERP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923449144 1322753325 /nfs/dbraw/zinc/75/33/25/1322753325.db2.gz KJCKRQFXVQSPNZ-CJNGLKHVSA-N 2 0 340.414 3.179 10 0 EGAERP C[C@@H]1C[N@H+](CC(=O)Nc2ccc(-c3ccccc3)cc2)CC[C@@H]1C[NH3+] ZINC000923510875 1322766506 /nfs/dbraw/zinc/76/65/06/1322766506.db2.gz XTFBPHCBPPRFOE-VQIMIIECSA-N 2 0 337.467 3.209 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]CC(C)(C)N1CC[NH+](C)CC1 ZINC000924627228 1323083263 /nfs/dbraw/zinc/08/32/63/1323083263.db2.gz CXZUVXNKTFURFL-KRWDZBQOSA-N 2 0 349.588 3.345 10 0 EGAERP CC(C)[C@H](C[NH2+]C1CC(Sc2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000924631121 1323084388 /nfs/dbraw/zinc/08/43/88/1323084388.db2.gz KTRUDQKHNIPDQK-UUKMXZOPSA-N 2 0 347.572 3.171 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]CCCC[NH+]1CCN(C)CC1 ZINC000924656574 1323097108 /nfs/dbraw/zinc/09/71/08/1323097108.db2.gz AVSBVIQCYQFQAW-SFHVURJKSA-N 2 0 349.588 3.347 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674120 1323105483 /nfs/dbraw/zinc/10/54/83/1323105483.db2.gz YCWTUCKKNIZHMJ-CHWSQXEVSA-N 2 0 349.466 3.444 10 0 EGAERP C[C@H]1CC2(CC([NH2+]CC3CC[NH+](Cc4ccccc4)CC3)C2)CO1 ZINC000924781338 1323160756 /nfs/dbraw/zinc/16/07/56/1323160756.db2.gz SJBQOAFVLKSPSH-RPCJCACASA-N 2 0 328.500 3.446 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H](N[C@H](C)c2cnn(C3CCC3)c2)[C@H](C)C1 ZINC000925077723 1323268654 /nfs/dbraw/zinc/26/86/54/1323268654.db2.gz HOTJNVFBZLMYKR-HLIPFELVSA-N 2 0 348.535 3.396 10 0 EGAERP c1ccc(SC2CC([NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)C2)cc1 ZINC000925095977 1323279009 /nfs/dbraw/zinc/27/90/09/1323279009.db2.gz XFBGYWVKAZERCJ-VQSBYGRUSA-N 2 0 346.540 3.400 10 0 EGAERP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCCC[C@H]2C(=O)OC)CC1 ZINC000931466201 1329125159 /nfs/dbraw/zinc/12/51/59/1329125159.db2.gz VMCQPWMMEJFGJV-QZTJIDSGSA-N 2 0 336.520 3.306 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H](C3CCC3)[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000925299339 1325117781 /nfs/dbraw/zinc/11/77/81/1325117781.db2.gz BSXOVFTWPJCEPT-AZUAARDMSA-N 2 0 329.488 3.093 10 0 EGAERP C[N@H+](Cc1ccccc1NC(=O)NC[C@@H]1CC[NH+]1C)C1CCCCC1 ZINC000925395441 1325139946 /nfs/dbraw/zinc/13/99/46/1325139946.db2.gz WBHUWORCFRYLQG-SFHVURJKSA-N 2 0 344.503 3.277 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)c2c1 ZINC000925485850 1325172150 /nfs/dbraw/zinc/17/21/50/1325172150.db2.gz DPVVERKODCKKAM-FPOVZHCZSA-N 2 0 341.499 3.477 10 0 EGAERP COc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1OC ZINC000925487533 1325172317 /nfs/dbraw/zinc/17/23/17/1325172317.db2.gz CYRXTKCHHMHZFN-ZWKOTPCHSA-N 2 0 332.488 3.004 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]CC2(c3cccc(Br)c3)CC2)C12CCC2 ZINC000925498753 1325177720 /nfs/dbraw/zinc/17/77/20/1325177720.db2.gz SDOABQSPEGNXTP-HUUCEWRRSA-N 2 0 335.289 3.340 10 0 EGAERP COc1ccccc1[C@H](C[NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)N1CCCC1 ZINC000925500495 1325179956 /nfs/dbraw/zinc/17/99/56/1325179956.db2.gz CYLQJWLIMOYAQM-LNLFQRSKSA-N 2 0 345.531 3.328 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925509936 1325183431 /nfs/dbraw/zinc/18/34/31/1325183431.db2.gz QGUWCHWIIOUEBZ-OALUTQOASA-N 2 0 340.515 3.493 10 0 EGAERP C[NH+](C)CCOc1cccc(N[C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925572534 1325215730 /nfs/dbraw/zinc/21/57/30/1325215730.db2.gz JHKYJFNUEHBBKJ-UXHICEINSA-N 2 0 331.504 3.207 10 0 EGAERP COC(=O)Nc1ccc(CC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925579930 1325218934 /nfs/dbraw/zinc/21/89/34/1325218934.db2.gz IQRNCIOXOOKKBM-RBUKOAKNSA-N 2 0 345.487 3.165 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000925605293 1325229600 /nfs/dbraw/zinc/22/96/00/1325229600.db2.gz DYDPMIUHCBFMBL-RTBURBONSA-N 2 0 346.515 3.378 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C12CCC2 ZINC000925623883 1325234405 /nfs/dbraw/zinc/23/44/05/1325234405.db2.gz VHXPQETUJHNIKD-GJZGRUSLSA-N 2 0 328.378 3.125 10 0 EGAERP CC(C)(O)C[N@@H+]1CCc2c(cccc2N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925637499 1325242016 /nfs/dbraw/zinc/24/20/16/1325242016.db2.gz MNEVDJQOEMUMLQ-IRXDYDNUSA-N 2 0 345.531 3.134 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@H](c2ccccn2)C2CCC2)ccn1 ZINC000925654082 1325248441 /nfs/dbraw/zinc/24/84/41/1325248441.db2.gz PGRNNGWTXNSTQB-FQEVSTJZSA-N 2 0 340.471 3.048 10 0 EGAERP CCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2N[C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925708761 1325266737 /nfs/dbraw/zinc/26/67/37/1325266737.db2.gz DEGTVANZMVNFNB-JYBIWHBTSA-N 2 0 345.531 3.026 10 0 EGAERP [NH3+][C@H]1C[C@H](N[C@H](CO)c2ccc(Br)cc2)c2ccccc21 ZINC000925736035 1325276416 /nfs/dbraw/zinc/27/64/16/1325276416.db2.gz KAFTXLIGFVYKNK-YESZJQIVSA-N 2 0 347.256 3.217 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)NCc2cc(N)cc[nH+]2)ccc1OC ZINC000925772583 1325293602 /nfs/dbraw/zinc/29/36/02/1325293602.db2.gz USJYBIKCXSIFGB-HNNXBMFYSA-N 2 0 342.487 3.365 10 0 EGAERP C[C@H]1Cc2ccccc2[C@H]1[NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1 ZINC000925806860 1325308318 /nfs/dbraw/zinc/30/83/18/1325308318.db2.gz BSAWTYNOHFWVBJ-JTSKRJEESA-N 2 0 335.495 3.115 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(-c2cccs2)cc1 ZINC000925808737 1325310080 /nfs/dbraw/zinc/31/00/80/1325310080.db2.gz DYWBUCFIEZKPBQ-OAHLLOKOSA-N 2 0 329.513 3.489 10 0 EGAERP CC(C)c1ccc2c(c1)[C@H]([NH2+]CCN1CCC([NH3+])CC1)CCCO2 ZINC000925815966 1325313402 /nfs/dbraw/zinc/31/34/02/1325313402.db2.gz VEYIJMKZHPHFSU-LJQANCHMSA-N 2 0 331.504 3.036 10 0 EGAERP C[C@H](NC[C@]12CCC[C@H]1[NH2+]CC2)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925839349 1325322214 /nfs/dbraw/zinc/32/22/14/1325322214.db2.gz AYQPQVAZXIMUAB-MJUUVYJYSA-N 2 0 327.516 3.019 10 0 EGAERP COc1cc([C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)ccc1OC(F)F ZINC000925844148 1325325348 /nfs/dbraw/zinc/32/53/48/1325325348.db2.gz WIRZCQUSNJHCHY-XHBKTUGNSA-N 2 0 340.414 3.479 10 0 EGAERP CCSc1ccccc1[C@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850046 1325329644 /nfs/dbraw/zinc/32/96/44/1325329644.db2.gz GTDPABUKEFPTOZ-LSDHHAIUSA-N 2 0 348.512 3.135 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccc(Cl)c1 ZINC000925857824 1325333351 /nfs/dbraw/zinc/33/33/51/1325333351.db2.gz SVHVHHJLYCHURY-JKSUJKDBSA-N 2 0 336.863 3.066 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)cc1Br ZINC000925877906 1325339414 /nfs/dbraw/zinc/33/94/14/1325339414.db2.gz XTIASCDZYGNHDC-WZRBSPASSA-N 2 0 327.266 3.236 10 0 EGAERP COc1ccc2c(c1F)CC[C@H]2[NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1 ZINC000925883558 1325342579 /nfs/dbraw/zinc/34/25/79/1325342579.db2.gz ZOGKNQRYNBURBP-FPDPHYFHSA-N 2 0 340.442 3.470 10 0 EGAERP C[C@H]1C[C@@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CN1Cc1ccccc1 ZINC000925887746 1325344665 /nfs/dbraw/zinc/34/46/65/1325344665.db2.gz LRUOJAHTTJDRNS-OUFMZXHOSA-N 2 0 349.522 3.298 10 0 EGAERP COc1ccc(OC)c([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c1 ZINC000925888267 1325344705 /nfs/dbraw/zinc/34/47/05/1325344705.db2.gz SFPMSTCEXRYBDZ-HZUJVAHNSA-N 2 0 340.467 3.414 10 0 EGAERP C[C@H](NC[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324240 1325517278 /nfs/dbraw/zinc/51/72/78/1325517278.db2.gz DEFOSTFQMKVCAQ-HKUYNNGSSA-N 2 0 338.499 3.392 10 0 EGAERP C[C@H]([NH2+]CC1(O)CCC(F)(F)CC1)c1cccc(C[NH+](C)C)c1 ZINC000926726972 1327687102 /nfs/dbraw/zinc/68/71/02/1327687102.db2.gz WWICENFJFLPUIE-AWEZNQCLSA-N 2 0 326.431 3.339 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1c2ccccc2C(=O)N1C)c1cccc(C[NH+](C)C)c1 ZINC000926766714 1327706799 /nfs/dbraw/zinc/70/67/99/1327706799.db2.gz ZWGXHERXRCSQTQ-QRWLVFNGSA-N 2 0 337.467 3.226 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2CCCC3(CCC3)O2)[C@@H](C)C1 ZINC000927015560 1327821350 /nfs/dbraw/zinc/82/13/50/1327821350.db2.gz JIVZZHJGEAACCP-OTWHNJEPSA-N 2 0 338.536 3.205 10 0 EGAERP COc1ccc([C@H](C)N[C@@H]2CC[NH2+][C@H]2C)cc1C[NH+]1CCCCC1 ZINC000863546210 1329562425 /nfs/dbraw/zinc/56/24/25/1329562425.db2.gz GCCWEGOLALSYQN-TXPKVOOTSA-N 2 0 331.504 3.082 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+]Cc2cnc3c(F)cccc3c2)C[C@H](C)O1 ZINC000865470432 1329701966 /nfs/dbraw/zinc/70/19/66/1329701966.db2.gz BBXIXEKBMCSRDP-IYBDPMFKSA-N 2 0 345.462 3.353 10 0 EGAERP CC(=O)NCC1CCC([NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CC1 ZINC000865481036 1329703429 /nfs/dbraw/zinc/70/34/29/1329703429.db2.gz SUEQJBUPWCVSQU-FQVISZRSSA-N 2 0 345.531 3.182 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cccc3n[nH]cc32)(c2ccccc2)CC1 ZINC000865774125 1329736843 /nfs/dbraw/zinc/73/68/43/1329736843.db2.gz FHUPMPNRHIWTMV-UHFFFAOYSA-N 2 0 334.467 3.316 10 0 EGAERP CCc1ncc(C[NH2+]CC2(c3ccccc3)CC[NH+](C)CC2)s1 ZINC000865773484 1329736936 /nfs/dbraw/zinc/73/69/36/1329736936.db2.gz AWTQAEHTZGXVQS-UHFFFAOYSA-N 2 0 329.513 3.459 10 0 EGAERP COCCN(CC1CC[NH+](C)CC1)c1cc[nH+]c2cc(F)ccc21 ZINC000865995999 1329757988 /nfs/dbraw/zinc/75/79/88/1329757988.db2.gz CZCUFHXFCYLQDU-UHFFFAOYSA-N 2 0 331.435 3.169 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@H]2CCc3cccc4cccc2c43)CC1 ZINC000866231005 1330081552 /nfs/dbraw/zinc/08/15/52/1330081552.db2.gz LICJBDPEIXLUGI-NRFANRHFSA-N 2 0 337.511 3.444 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866261201 1330086771 /nfs/dbraw/zinc/08/67/71/1330086771.db2.gz QYTZVQZDVDOWJO-OAQYLSRUSA-N 2 0 337.511 3.444 10 0 EGAERP Cc1cc2ncc([C@@H](C)[NH2+]C3CCC(C)([NH+](C)C)CC3)c(C)n2n1 ZINC000866516307 1330120997 /nfs/dbraw/zinc/12/09/97/1330120997.db2.gz OPGOYZJJBPLBQJ-ICXUMSERSA-N 2 0 329.492 3.260 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@@H+]2CCC[C@H](OC3CCC3)CC2)cc1 ZINC000866697086 1330141907 /nfs/dbraw/zinc/14/19/07/1330141907.db2.gz FIZNEJXTGZPLQM-XLIONFOSSA-N 2 0 332.488 3.161 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001323146973 1387302477 /nfs/dbraw/zinc/30/24/77/1387302477.db2.gz CZDWHSWTGNQWEF-ZYHOBAKYSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001323170622 1387306219 /nfs/dbraw/zinc/30/62/19/1387306219.db2.gz RWQFYAUTHAKFNL-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001323244599 1387316666 /nfs/dbraw/zinc/31/66/66/1387316666.db2.gz ARTWVFOEFHVGGX-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@@H]2CC[N@@H+]2CCC(C)(C)C)CCCCC1 ZINC001323271875 1387320097 /nfs/dbraw/zinc/32/00/97/1387320097.db2.gz BHWISLAYBNEDBG-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CC[NH+](C)CC)C1 ZINC001323641553 1387415762 /nfs/dbraw/zinc/41/57/62/1387415762.db2.gz KCEKVIZDYZAUAB-ZBWOGFRMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)C[C@H]1C ZINC001324096567 1387539772 /nfs/dbraw/zinc/53/97/72/1387539772.db2.gz COVAPPPCFUMFQB-MJGOQNOKSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001324175802 1387550857 /nfs/dbraw/zinc/55/08/57/1387550857.db2.gz OSWSNWUAWBALJP-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP O=C(N[C@@H](C[NH2+]CC1CC1)C1CCCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001324484357 1387643019 /nfs/dbraw/zinc/64/30/19/1387643019.db2.gz WWOVRUKPLMHJHD-PMACEKPBSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCC1 ZINC001324517150 1387658307 /nfs/dbraw/zinc/65/83/07/1387658307.db2.gz DMGLSNHUCSEEGR-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1 ZINC001324752152 1387760305 /nfs/dbraw/zinc/76/03/05/1387760305.db2.gz OYLFYYPDUWEOHH-TZIWHRDSSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001324772412 1387766018 /nfs/dbraw/zinc/76/60/18/1387766018.db2.gz SEXSDOAHAMRTLK-CQQBXOTJSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[NH2+]C[C@]1(C)CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001324831157 1387785164 /nfs/dbraw/zinc/78/51/64/1387785164.db2.gz BCFLFVIYKDHPMY-NRFANRHFSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001324864807 1387797124 /nfs/dbraw/zinc/79/71/24/1387797124.db2.gz UNGOBEAWOMDAER-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP OC[C@H]([NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1)C1CCCC1 ZINC001194863434 1368336861 /nfs/dbraw/zinc/33/68/61/1368336861.db2.gz FRTPTNJRFRUSCU-QFIPXVFZSA-N 2 0 344.543 3.472 10 0 EGAERP COCC[N@H+](CC[C@@H]1CCc2ccccc21)CC1CC[NH+](C)CC1 ZINC001196781788 1368684021 /nfs/dbraw/zinc/68/40/21/1368684021.db2.gz IWDGYRAUFBHACA-FQEVSTJZSA-N 2 0 330.516 3.397 10 0 EGAERP COC(=O)c1sccc1C[N@H+](CC(C)C)CC1CC[NH+](C)CC1 ZINC001197194336 1368762740 /nfs/dbraw/zinc/76/27/40/1368762740.db2.gz MHYLNUSEJORIDV-UHFFFAOYSA-N 2 0 338.517 3.335 10 0 EGAERP C[C@@H]([NH2+]CC1CCC2(CC2)CC1)[C@H]1CCN(C(=O)CCC[NH+](C)C)C1 ZINC001325436195 1387971856 /nfs/dbraw/zinc/97/18/56/1387971856.db2.gz HVVOFGZEHGBLKE-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccccc1OCCC[NH+]1CCC(O)(C[NH+]2CCCCC2)CC1 ZINC001198612149 1369072963 /nfs/dbraw/zinc/07/29/63/1369072963.db2.gz KKIQKMGVNLYROP-UHFFFAOYSA-N 2 0 346.515 3.077 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCCC1 ZINC001325917969 1388081805 /nfs/dbraw/zinc/08/18/05/1388081805.db2.gz CPVZQXPWLVINCI-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)Oc1cccc(CN2CCC([NH2+]C3CCOCC3)CC2)c1 ZINC001119450269 1371345808 /nfs/dbraw/zinc/34/58/08/1371345808.db2.gz GIDBWSSJHARTJJ-UHFFFAOYSA-N 2 0 332.488 3.207 10 0 EGAERP Cc1c(C(=O)N2CCC(C(C)(C)C[NH+](C)C)CC2)ccc2c[nH+]cn21 ZINC001119572418 1371367549 /nfs/dbraw/zinc/36/75/49/1371367549.db2.gz GFJDCPMAIDPULW-UHFFFAOYSA-N 2 0 342.487 3.083 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734346607 1438065766 /nfs/dbraw/zinc/06/57/66/1438065766.db2.gz LQOFKAIQHDJGJT-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@H]3C[C@H](C)C[NH+]3C2)CC1 ZINC001123658351 1372544817 /nfs/dbraw/zinc/54/48/17/1372544817.db2.gz JLNIYNVLRRLGOG-SXLOBPIMSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CCC1 ZINC001326835262 1388325444 /nfs/dbraw/zinc/32/54/44/1388325444.db2.gz UIYUKTVFOAIDPE-RTLBZRNLSA-N 2 0 347.547 3.378 10 0 EGAERP CC1CC[NH+](CCc2cccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])c2)CC1 ZINC001327106440 1388381996 /nfs/dbraw/zinc/38/19/96/1388381996.db2.gz BJNONDKFJJBZNV-WOJBJXKFSA-N 2 0 343.515 3.417 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)cc1C ZINC001327173442 1388422013 /nfs/dbraw/zinc/42/20/13/1388422013.db2.gz QTKZTXULHJUGHY-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH+]3CCCCC3)CCCCC2)CC[N@@H+]1C ZINC001135449966 1377102000 /nfs/dbraw/zinc/10/20/00/1377102000.db2.gz AKIKYPBGUHPKIC-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CN(CCC[N@H+](C)CCCC1CCCC1)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001327286150 1388484717 /nfs/dbraw/zinc/48/47/17/1388484717.db2.gz VPOMDZZXJUATPU-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001266240220 1377242335 /nfs/dbraw/zinc/24/23/35/1377242335.db2.gz RDCXAWIJEFTTAF-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH+]2CC1=CCCCC1 ZINC001266653663 1377359910 /nfs/dbraw/zinc/35/99/10/1377359910.db2.gz PKCNOZSREMQSIT-IHWFROFDSA-N 2 0 347.547 3.330 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001266877657 1377398661 /nfs/dbraw/zinc/39/86/61/1377398661.db2.gz VFUSXMQRTGKEBF-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)[C@H]1CCC[NH+](CC2CCCC2)C1 ZINC001266897581 1377400526 /nfs/dbraw/zinc/40/05/26/1377400526.db2.gz OMEYNSJAIGFAIT-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)Nc2ccc(OCCC[NH+](C)C)cc2)C1 ZINC001136715126 1377417646 /nfs/dbraw/zinc/41/76/46/1377417646.db2.gz GLGCWJZDHOZIRM-QGZVFWFLSA-N 2 0 347.503 3.078 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCC1 ZINC001136929859 1377441746 /nfs/dbraw/zinc/44/17/46/1377441746.db2.gz RHJNLHPROUFQIF-DOTOQJQBSA-N 2 0 349.544 3.122 10 0 EGAERP CCC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+](C)C1CCC1)CC2 ZINC001268045273 1377483792 /nfs/dbraw/zinc/48/37/92/1377483792.db2.gz XHEWYOJHCHTBSN-WAYWQWQTSA-N 2 0 347.547 3.142 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCC1)C1CCC1 ZINC001268156348 1377489231 /nfs/dbraw/zinc/48/92/31/1377489231.db2.gz XWHZVYPJDWRATL-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001268741762 1377523781 /nfs/dbraw/zinc/52/37/81/1377523781.db2.gz YBPJVNBNBVJTJX-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001268868615 1377529481 /nfs/dbraw/zinc/52/94/81/1377529481.db2.gz JDKRLSJOEIVOHK-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269740496 1377568722 /nfs/dbraw/zinc/56/87/22/1377568722.db2.gz HAXMIWGQTMHWJW-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001271090998 1377623571 /nfs/dbraw/zinc/62/35/71/1377623571.db2.gz DDOZPNYPWDCHHH-QGZVFWFLSA-N 2 0 345.531 3.088 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001271585441 1377641220 /nfs/dbraw/zinc/64/12/20/1377641220.db2.gz OHFZZFOYAPSJFC-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccc1 ZINC001271939471 1377653385 /nfs/dbraw/zinc/65/33/85/1377653385.db2.gz FQCNDMMRPINQFS-UXHICEINSA-N 2 0 345.531 3.037 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001274434242 1378124745 /nfs/dbraw/zinc/12/47/45/1378124745.db2.gz BWXMIOTXEDCGLJ-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)CC1 ZINC001275391325 1378139041 /nfs/dbraw/zinc/13/90/41/1378139041.db2.gz CYSGXXHRJJDWJS-INIZCTEOSA-N 2 0 325.541 3.027 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC)([NH2+]C[C@@H](C)CC(C)C)CC1)[NH+](C)C ZINC001327488475 1388533132 /nfs/dbraw/zinc/53/31/32/1388533132.db2.gz IVUXTXJJIKFEAD-ROUUACIJSA-N 2 0 339.568 3.370 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)c(C)c1 ZINC001275581973 1378143592 /nfs/dbraw/zinc/14/35/92/1378143592.db2.gz KFNWWGAXOWVQGH-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCc1ccc(C[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCCC2)cc1 ZINC001282619456 1378518394 /nfs/dbraw/zinc/51/83/94/1378518394.db2.gz VBYKUVGBKHQPFB-UHFFFAOYSA-N 2 0 345.531 3.109 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1Cc1cccc(F)c1)[NH+](C)C ZINC001282667849 1378541074 /nfs/dbraw/zinc/54/10/74/1378541074.db2.gz ZQTLOWYRJJRLSJ-RBUKOAKNSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)C1C[NH+](CCC2=CCCCC2)C1 ZINC001282732850 1378581335 /nfs/dbraw/zinc/58/13/35/1378581335.db2.gz AZFDYMOPLHNFKE-KRWDZBQOSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001282741928 1378592993 /nfs/dbraw/zinc/59/29/93/1378592993.db2.gz VSXNPLCMWQRXQA-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001282957672 1378684915 /nfs/dbraw/zinc/68/49/15/1378684915.db2.gz IGOGBXLYIXQAQM-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1C[NH2+]CCC[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001283228948 1378766252 /nfs/dbraw/zinc/76/62/52/1378766252.db2.gz IXTVSDZSUGTECC-QYZOEREBSA-N 2 0 345.531 3.100 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001283351570 1378836738 /nfs/dbraw/zinc/83/67/38/1378836738.db2.gz XSZUHEBUJZYZTD-PMACEKPBSA-N 2 0 343.515 3.032 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001283434390 1378926161 /nfs/dbraw/zinc/92/61/61/1378926161.db2.gz PCOKUGNWXVHMKV-RTBURBONSA-N 2 0 331.504 3.106 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001283725110 1379147978 /nfs/dbraw/zinc/14/79/78/1379147978.db2.gz XEAHPNFPRKVUBD-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC3CCCC3)[C@@H]2C1 ZINC001284097414 1379465449 /nfs/dbraw/zinc/46/54/49/1379465449.db2.gz QWPYYCZXZZCMFU-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2CC2)C1 ZINC001284192391 1379585260 /nfs/dbraw/zinc/58/52/60/1379585260.db2.gz RKAJKEQBHLDKCP-ROUUACIJSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)[C@H]1CCc2ccccc21)C(C)C)[NH+](C)C ZINC001284554080 1379963038 /nfs/dbraw/zinc/96/30/38/1379963038.db2.gz YRTRIYRYIOZKTC-UXHICEINSA-N 2 0 345.531 3.183 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284589324 1379990254 /nfs/dbraw/zinc/99/02/54/1379990254.db2.gz IGNVYKHBPRTHBP-PXEQJPNCSA-N 2 0 349.563 3.195 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCC2=CCCCC2)CC1)[NH+](C)C ZINC001284701899 1380116947 /nfs/dbraw/zinc/11/69/47/1380116947.db2.gz GQAXPGUUZXCLGN-YLJYHZDGSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCCC1)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001284702819 1380118863 /nfs/dbraw/zinc/11/88/63/1380118863.db2.gz WKEXCBVMDFSXID-QZTJIDSGSA-N 2 0 343.515 3.060 10 0 EGAERP CCC(CC)C[NH+]1CCC(C2(NC(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001284846817 1380270024 /nfs/dbraw/zinc/27/00/24/1380270024.db2.gz UUESNWHJUTWITL-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C)C[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001328051111 1388654520 /nfs/dbraw/zinc/65/45/20/1388654520.db2.gz SLYNUVLTSUPUPG-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](CC2=CCCCC2)CC1(C)C ZINC001328097495 1388669615 /nfs/dbraw/zinc/66/96/15/1388669615.db2.gz FXJPAJAVGLJMAI-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C(C)(C)C1 ZINC001328103656 1388675109 /nfs/dbraw/zinc/67/51/09/1388675109.db2.gz VLAMXMLDPYOJOP-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001328284342 1388715192 /nfs/dbraw/zinc/71/51/92/1388715192.db2.gz ONBXITZUEURVGZ-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001328283439 1388714162 /nfs/dbraw/zinc/71/41/62/1388714162.db2.gz KZJVWZLQBOIDSF-SJLPKXTDSA-N 2 0 349.544 3.093 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cccc(CC[NH+](C)C)c1 ZINC001292325343 1382181240 /nfs/dbraw/zinc/18/12/40/1382181240.db2.gz UNVRCDVDWHVAQP-HXUWFJFHSA-N 2 0 345.531 3.175 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001328620371 1388790737 /nfs/dbraw/zinc/79/07/37/1388790737.db2.gz IPMMUDZXGYNRNN-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP Fc1ccc(C[C@H]2CN(c3cc[nH+]cc3C(F)(F)F)CC[NH2+]2)cc1 ZINC001164412224 1383184968 /nfs/dbraw/zinc/18/49/68/1383184968.db2.gz IKDIMVSJQUSEGY-AWEZNQCLSA-N 2 0 339.336 3.260 10 0 EGAERP CC[C@@H](F)C[N@H+](C)C[C@@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001328796493 1388867472 /nfs/dbraw/zinc/86/74/72/1388867472.db2.gz IIXLAOURQIKEDM-MOPGFXCFSA-N 2 0 349.494 3.033 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C[C@H]2CC[C@@H](c3ccccc3)O2)C1 ZINC001167601535 1383686728 /nfs/dbraw/zinc/68/67/28/1383686728.db2.gz DGVBIIHEYUKSPN-NJYVYQBISA-N 2 0 346.515 3.339 10 0 EGAERP C[C@H](COCc1ccccc1)C[N@@H+]1CCN(c2cc[nH+]cc2)[C@@H](C)C1 ZINC001308041504 1384080190 /nfs/dbraw/zinc/08/01/90/1384080190.db2.gz VIXCYDRSMCUUAH-OALUTQOASA-N 2 0 339.483 3.445 10 0 EGAERP C[C@@]12C[NH+](Cc3ccccc3)C[C@@H]1C[N@@H+](CCC[C@@H]1CCOC1)C2 ZINC001308055920 1384082789 /nfs/dbraw/zinc/08/27/89/1384082789.db2.gz FPGFFLXQBPFIJN-QHAWAJNXSA-N 2 0 328.500 3.257 10 0 EGAERP CC(C)[C@@H](CCO)[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001169103151 1384107242 /nfs/dbraw/zinc/10/72/42/1384107242.db2.gz SMYPTRZLSNXLKN-OAQYLSRUSA-N 2 0 332.532 3.328 10 0 EGAERP C[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001316600916 1384467327 /nfs/dbraw/zinc/46/73/27/1384467327.db2.gz CVUPBIMZCDQGOE-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC001316632767 1384495509 /nfs/dbraw/zinc/49/55/09/1384495509.db2.gz IPDQXOHUMXRQSI-CADBVGFASA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001316709613 1384532935 /nfs/dbraw/zinc/53/29/35/1384532935.db2.gz TYTQPNGQORTUHH-LQWHRVPQSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)[C@@H]1CCC[NH2+]CC1CCC1 ZINC001316717723 1384536459 /nfs/dbraw/zinc/53/64/59/1384536459.db2.gz YQKXTXAGXGSPHK-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001316771445 1384569975 /nfs/dbraw/zinc/56/99/75/1384569975.db2.gz FYIISCHZKUUPSN-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCCC[NH+](C)CC1CCCCC1 ZINC001316832397 1384624017 /nfs/dbraw/zinc/62/40/17/1384624017.db2.gz DVPURXDPSIBXGZ-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[N@@H+](C)CC2CCCCC2)C1 ZINC001316860370 1384646848 /nfs/dbraw/zinc/64/68/48/1384646848.db2.gz XCESDEWEHHYWCS-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001316875485 1384660495 /nfs/dbraw/zinc/66/04/95/1384660495.db2.gz FSEQPZLXWFMNON-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)Cc1ccc(C)c(C)c1 ZINC001316894978 1384675413 /nfs/dbraw/zinc/67/54/13/1384675413.db2.gz JKOUNVYLCARZDA-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001316936122 1384708058 /nfs/dbraw/zinc/70/80/58/1384708058.db2.gz WTZGPAGRRMBGFP-LJQANCHMSA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014265 1384778889 /nfs/dbraw/zinc/77/88/89/1384778889.db2.gz SQCPHCIVGPETAJ-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@@H]21 ZINC001317100202 1384863593 /nfs/dbraw/zinc/86/35/93/1384863593.db2.gz OGAPXINJNXXXNX-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+](C)C)C1 ZINC001317102954 1384867036 /nfs/dbraw/zinc/86/70/36/1384867036.db2.gz CSZOYFUXPOBLFW-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2C[N@H+](CCCC3CCCC3)CC[C@@H]21 ZINC001317105122 1384868494 /nfs/dbraw/zinc/86/84/94/1384868494.db2.gz LBZGVQZXYOKXCS-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317177719 1384951361 /nfs/dbraw/zinc/95/13/61/1384951361.db2.gz UHJNUVSJJBIHTN-XSXCZSQGSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001317192221 1384966686 /nfs/dbraw/zinc/96/66/86/1384966686.db2.gz CZYSMMQLKDUKTN-WLMAVBAVSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[NH2+]C/C=C/c1ccccc1)[NH+](C)C ZINC001317192995 1384967052 /nfs/dbraw/zinc/96/70/52/1384967052.db2.gz RDMKXEWJABJMHE-IXNXTHMNSA-N 2 0 343.515 3.011 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC1CCC([NH2+]CC2CC2)CC1 ZINC001317218336 1384998865 /nfs/dbraw/zinc/99/88/65/1384998865.db2.gz YDOCMWSHFJJOCK-UHFFFAOYSA-N 2 0 335.536 3.066 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCC1CCCC1 ZINC001317248076 1385020235 /nfs/dbraw/zinc/02/02/35/1385020235.db2.gz XUINQGUOUZVWBJ-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001317272128 1385042613 /nfs/dbraw/zinc/04/26/13/1385042613.db2.gz QOORQWGXNPSVJU-KRWDZBQOSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001317284867 1385056468 /nfs/dbraw/zinc/05/64/68/1385056468.db2.gz YPVCLIMIPVOBGD-IAGOWNOFSA-N 2 0 343.515 3.061 10 0 EGAERP CCCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317384161 1385108761 /nfs/dbraw/zinc/10/87/61/1385108761.db2.gz LLMJRDKQPPJYHR-OALUTQOASA-N 2 0 337.552 3.364 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001317384163 1385108954 /nfs/dbraw/zinc/10/89/54/1385108954.db2.gz LLMJRDKQPPJYHR-RTBURBONSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CCNC(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001317411070 1385122276 /nfs/dbraw/zinc/12/22/76/1385122276.db2.gz BGKGSTQOWCROOU-PKOBYXMFSA-N 2 0 345.531 3.136 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCCC1 ZINC001317490335 1385189781 /nfs/dbraw/zinc/18/97/81/1385189781.db2.gz ZOPDZZLKELSRRS-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP O=C(NCC[N@H+](CCC1CCCC1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001317558299 1385332185 /nfs/dbraw/zinc/33/21/85/1385332185.db2.gz RZUGFBMDHIXHEB-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681436 1385390630 /nfs/dbraw/zinc/39/06/30/1385390630.db2.gz IWBYJAPVLDECOZ-HKUYNNGSSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC1CCCC1 ZINC001317687505 1385399092 /nfs/dbraw/zinc/39/90/92/1385399092.db2.gz ZZKHOMWODFGUCS-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC([C@H](C)[NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001317688751 1385401001 /nfs/dbraw/zinc/40/10/01/1385401001.db2.gz ZLDKFVBOJJRCMU-WMZOPIPTSA-N 2 0 339.568 3.226 10 0 EGAERP CC[NH2+][C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccc(C(C)C)cc1 ZINC001317711980 1385413983 /nfs/dbraw/zinc/41/39/83/1385413983.db2.gz UYZDHPAABMBYCS-LJQANCHMSA-N 2 0 345.531 3.451 10 0 EGAERP CC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)c1ccc(C(C)C)cc1 ZINC001317714350 1385415954 /nfs/dbraw/zinc/41/59/54/1385415954.db2.gz PNOWYIFNHVUYHO-WOJBJXKFSA-N 2 0 345.531 3.451 10 0 EGAERP CCCN(C(=O)C[NH+]1CCC(C)CC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001317767468 1385457042 /nfs/dbraw/zinc/45/70/42/1385457042.db2.gz QGAPSXUCNFWJHB-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001317770880 1385461776 /nfs/dbraw/zinc/46/17/76/1385461776.db2.gz WUWUHUVRRBZINT-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001317781258 1385473364 /nfs/dbraw/zinc/47/33/64/1385473364.db2.gz BGXRLHKEUPNDLE-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854531 1385538476 /nfs/dbraw/zinc/53/84/76/1385538476.db2.gz OYDHGJLDHYAZCB-QFBILLFUSA-N 2 0 349.494 3.009 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001318406535 1385676744 /nfs/dbraw/zinc/67/67/44/1385676744.db2.gz IKDOETTWXXTVOQ-PXEQJPNCSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]C[C@H](C)CC(C)C ZINC001318539257 1385742906 /nfs/dbraw/zinc/74/29/06/1385742906.db2.gz CFSBJOQVSLXJNX-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C\CC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318636294 1385808097 /nfs/dbraw/zinc/80/80/97/1385808097.db2.gz OQSKJWSTRYICHV-PHWHVTFISA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318637028 1385809451 /nfs/dbraw/zinc/80/94/51/1385809451.db2.gz UOXGKAQNWDXXFT-PKOBYXMFSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001318672260 1385829962 /nfs/dbraw/zinc/82/99/62/1385829962.db2.gz WONXRJKNDIGKTC-HZPDHXFCSA-N 2 0 349.544 3.140 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@H]2CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001319132550 1385970651 /nfs/dbraw/zinc/97/06/51/1385970651.db2.gz PTJLDAFBOWHUDX-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NC[C@@H](C)C[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001319271264 1386034633 /nfs/dbraw/zinc/03/46/33/1386034633.db2.gz YQHDSSOFQYRTEV-WMLDXEAASA-N 2 0 347.528 3.083 10 0 EGAERP C[C@H](C[NH2+]CCC1=CCCCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001319533917 1386165661 /nfs/dbraw/zinc/16/56/61/1386165661.db2.gz LGHSKAJULPSANX-QGZVFWFLSA-N 2 0 337.552 3.291 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001698634073 1406277985 /nfs/dbraw/zinc/27/79/85/1406277985.db2.gz LKLJZEOKNNXAGL-QZTJIDSGSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001319609372 1386207861 /nfs/dbraw/zinc/20/78/61/1386207861.db2.gz LLVQNSNHDRDXMB-ROUUACIJSA-N 2 0 339.568 3.416 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319618936 1386212080 /nfs/dbraw/zinc/21/20/80/1386212080.db2.gz HOKOFJHCRYQOAV-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1CCCCC1 ZINC001319663166 1386241543 /nfs/dbraw/zinc/24/15/43/1386241543.db2.gz MFHLKDPNYYSRJP-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CC2CCCC2)C2CCCCC2)C1 ZINC001319663802 1386242358 /nfs/dbraw/zinc/24/23/58/1386242358.db2.gz PESNMMCJWFQZGY-AZUAARDMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001319749994 1386279362 /nfs/dbraw/zinc/27/93/62/1386279362.db2.gz KMPSESDTYGMXFD-GUDVDZBRSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CC[C@H]1CCC[N@H+]1C ZINC001319759359 1386284243 /nfs/dbraw/zinc/28/42/43/1386284243.db2.gz WQKCLXZZWPJHAK-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1)[NH+]1CCCCCC1 ZINC001319777527 1386292743 /nfs/dbraw/zinc/29/27/43/1386292743.db2.gz HZHDFLDGTUJTQI-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319788688 1386297195 /nfs/dbraw/zinc/29/71/95/1386297195.db2.gz RGUCDKQHMXGPJX-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@H]1C[NH2+]CCC(C)(C)C ZINC001319849316 1386333428 /nfs/dbraw/zinc/33/34/28/1386333428.db2.gz OCFBWYUKLVFOCV-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](CNC(=O)C1CC[NH+](C)CC1)[NH2+]CCC1CCCCC1 ZINC001319942532 1386404977 /nfs/dbraw/zinc/40/49/77/1386404977.db2.gz CTIGHYOKKRXODG-IBGZPJMESA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CCC(C)(C)C ZINC001319948587 1386412000 /nfs/dbraw/zinc/41/20/00/1386412000.db2.gz YGDFYKISAVFFMN-ROUUACIJSA-N 2 0 339.568 3.416 10 0 EGAERP O=C(Nc1ccc2c[nH+]cn2c1)c1ccc(Nc2cc[nH+]cc2)cc1 ZINC001179303337 1386444487 /nfs/dbraw/zinc/44/44/87/1386444487.db2.gz BBVPEECXSPXDDV-UHFFFAOYSA-N 2 0 329.363 3.147 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)C3CCC3)CC[C@@H]21 ZINC001320104293 1386516032 /nfs/dbraw/zinc/51/60/32/1386516032.db2.gz QHHKPXAIUDXZAM-XZZFYQAUSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@@H]21 ZINC001320111842 1386519709 /nfs/dbraw/zinc/51/97/09/1386519709.db2.gz BGJMOCZBEGWKOS-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)CC[C@H]21 ZINC001320113049 1386521749 /nfs/dbraw/zinc/52/17/49/1386521749.db2.gz FWFXXTYVIZROPL-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@@H]2CCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001320168566 1386544863 /nfs/dbraw/zinc/54/48/63/1386544863.db2.gz DOBHENVASZOPST-WOJBJXKFSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1=CCCCC1 ZINC001320474911 1386620254 /nfs/dbraw/zinc/62/02/54/1386620254.db2.gz VKONIRPAZYXOMS-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001321127695 1386817583 /nfs/dbraw/zinc/81/75/83/1386817583.db2.gz VSGDXDHSCQSXKP-KTKRTIGZSA-N 2 0 347.547 3.402 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCC1=CCCCC1)c1cccc2nccn21 ZINC001321155499 1386824098 /nfs/dbraw/zinc/82/40/98/1386824098.db2.gz NTEGSJHCHHMDJD-PLNGDYQASA-N 2 0 338.455 3.100 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)CC1CC[NH+](C)CC1 ZINC001321281033 1386865658 /nfs/dbraw/zinc/86/56/58/1386865658.db2.gz PRWAKLNBOIKLFB-HPFMTEOYSA-N 2 0 343.515 3.050 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)C[C@H](C)NC(=O)CC[C@H]1CCC[NH+]1C ZINC001322175330 1387088666 /nfs/dbraw/zinc/08/86/66/1387088666.db2.gz JUZHJWUPOAQCJV-RBUKOAKNSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001322259005 1387125305 /nfs/dbraw/zinc/12/53/05/1387125305.db2.gz SOWQCWGEYCBTHL-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCc1cccc(C[NH+](C)C[C@@H](C)NC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001322307702 1387153308 /nfs/dbraw/zinc/15/33/08/1387153308.db2.gz RQXCRMIIDXJPCX-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001322346623 1387165659 /nfs/dbraw/zinc/16/56/59/1387165659.db2.gz PFAIHLOMYWCXAT-ZYHOBAKYSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC(CC[NH2+]CCC2CC2)CC1)[NH+]1CCCC1 ZINC001698704512 1406345805 /nfs/dbraw/zinc/34/58/05/1406345805.db2.gz QPZORKIOCWNTBY-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001322505763 1387197838 /nfs/dbraw/zinc/19/78/38/1387197838.db2.gz QIGKFGNGFZDUFA-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H](C)C[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001329341823 1389067846 /nfs/dbraw/zinc/06/78/46/1389067846.db2.gz HFDNXLJKPDSYPN-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCC1CCCCC1 ZINC001329476206 1389124173 /nfs/dbraw/zinc/12/41/73/1389124173.db2.gz YIWZJNXIOSASFE-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CNC(=O)c1ccc(CC[NH+](C)C)cc1)[N@H+](C)CCC(C)(C)C ZINC001329548604 1389152691 /nfs/dbraw/zinc/15/26/91/1389152691.db2.gz HTHACYQTUPEDGN-QGZVFWFLSA-N 2 0 347.547 3.277 10 0 EGAERP CCC(CC)C[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001329576172 1389163063 /nfs/dbraw/zinc/16/30/63/1389163063.db2.gz YRQYTPOUYHDBKE-SJLPKXTDSA-N 2 0 325.541 3.122 10 0 EGAERP C[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[N@H+](C)CC1=CCCCC1 ZINC001329593284 1389173603 /nfs/dbraw/zinc/17/36/03/1389173603.db2.gz ZMQNFGUJCFCELP-QGZVFWFLSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC2(C[NH2+]CCC3CC3)CCCCC2)CC1 ZINC001329860328 1389237913 /nfs/dbraw/zinc/23/79/13/1389237913.db2.gz CMRPELAFWJNKAJ-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC1(C[NH2+]CC2CCC2)CCCCC1 ZINC001329861187 1389238946 /nfs/dbraw/zinc/23/89/46/1389238946.db2.gz PSNZBBDDPPXYEO-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP C[C@H]([NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1)c1ccccc1 ZINC001329861452 1389239065 /nfs/dbraw/zinc/23/90/65/1389239065.db2.gz SJPUVECHTCKDKF-HKUYNNGSSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2cccc(F)c2)CC1(C)C ZINC001330261364 1389369244 /nfs/dbraw/zinc/36/92/44/1389369244.db2.gz GFZHTMUJDAYTHX-YJBOKZPZSA-N 2 0 349.494 3.054 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001330469297 1389422974 /nfs/dbraw/zinc/42/29/74/1389422974.db2.gz QQEBGGLRRXCRSC-GBESFXJTSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001330650085 1389482590 /nfs/dbraw/zinc/48/25/90/1389482590.db2.gz FPHSSTHQBCWFRO-DMUMMCEESA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001331017210 1389599239 /nfs/dbraw/zinc/59/92/39/1389599239.db2.gz XOFBCILVYPFDSY-LIXSYLKWSA-N 2 0 335.536 3.138 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCC2CCCCC2)CC1 ZINC001331059159 1389614887 /nfs/dbraw/zinc/61/48/87/1389614887.db2.gz JXXIZQVKAOKRSN-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC[NH2+]CCC[C@H](NC(=O)C1CC[NH+](C(C)C)CC1)c1ccccc1 ZINC001331177935 1389644022 /nfs/dbraw/zinc/64/40/22/1389644022.db2.gz XITKIPGOEWQJKX-FQEVSTJZSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCCC1 ZINC001331199259 1389651848 /nfs/dbraw/zinc/65/18/48/1389651848.db2.gz FMBGJIJBESDUHF-WOJBJXKFSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H](C[NH2+]CC1CCCC1)C1CC1)[NH+]1CCCC1 ZINC001331363780 1389719179 /nfs/dbraw/zinc/71/91/79/1389719179.db2.gz XLHQHRZOAKQKMM-UXHICEINSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1=CCCCC1 ZINC001331592890 1389817749 /nfs/dbraw/zinc/81/77/49/1389817749.db2.gz GJHJIMPQBWMBDG-QGZVFWFLSA-N 2 0 343.515 3.299 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@@H]1C ZINC001331900477 1389903008 /nfs/dbraw/zinc/90/30/08/1389903008.db2.gz BLMQGWTVOFTWED-CRAIPNDOSA-N 2 0 328.460 3.026 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC2CCCC2)CN1C(=O)C[NH+]1CCC(C)CC1 ZINC001332031173 1389952826 /nfs/dbraw/zinc/95/28/26/1389952826.db2.gz JNOZCUHVMONLFE-UYAOXDASSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@]12CCC[C@@H]1[N@H+](Cc1ccccc1)CC2 ZINC001332114785 1389992728 /nfs/dbraw/zinc/99/27/28/1389992728.db2.gz AISDXQKSNTVQCN-FPOVZHCZSA-N 2 0 343.515 3.032 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCc2cncn2C)[C@@H]1C ZINC001332221566 1390054205 /nfs/dbraw/zinc/05/42/05/1390054205.db2.gz YXQJDKZTBYKPII-OIIZEAPSSA-N 2 0 346.519 3.068 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001332301309 1390080921 /nfs/dbraw/zinc/08/09/21/1390080921.db2.gz LEIRSIXVXISPHC-QUCCMNQESA-N 2 0 349.563 3.173 10 0 EGAERP CC1CC[NH+](CC(=O)N2C[C@@H]([NH2+]CCCC3CCC3)C(C)(C)C2)CC1 ZINC001332427915 1390114808 /nfs/dbraw/zinc/11/48/08/1390114808.db2.gz MCLLXWQSWPKNEX-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001332438819 1390118275 /nfs/dbraw/zinc/11/82/75/1390118275.db2.gz SSRIWTWOWKWYCB-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)C(C)C ZINC001332723797 1390169413 /nfs/dbraw/zinc/16/94/13/1390169413.db2.gz QQGAQRVVOXFZSJ-IDPBEMBBSA-N 2 0 337.552 3.242 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C(C)C)C(C)(C)C ZINC001332788819 1390188478 /nfs/dbraw/zinc/18/84/78/1390188478.db2.gz KDXWMRJGDUZLDD-MSOLQXFVSA-N 2 0 339.568 3.416 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001332900243 1390212704 /nfs/dbraw/zinc/21/27/04/1390212704.db2.gz TXRSSMVLWVOELO-DLBZAZTESA-N 2 0 325.541 3.026 10 0 EGAERP C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001332985732 1390230644 /nfs/dbraw/zinc/23/06/44/1390230644.db2.gz TZNXVDURLDMZRZ-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]C1CC(N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001333129356 1390253574 /nfs/dbraw/zinc/25/35/74/1390253574.db2.gz RTLHZTZOZYMEKJ-UHFFFAOYSA-N 2 0 331.504 3.131 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001698798117 1406469303 /nfs/dbraw/zinc/46/93/03/1406469303.db2.gz KWFWOQFJZXAODF-PXPVJAHISA-N 2 0 347.547 3.093 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001698798488 1406470276 /nfs/dbraw/zinc/47/02/76/1406470276.db2.gz XTSZQUPCBKAZPF-QVOQXLMASA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001488852212 1391735662 /nfs/dbraw/zinc/73/56/62/1391735662.db2.gz WHOHLHCVOBPQPO-MBOZVWFJSA-N 2 0 345.531 3.307 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001479328087 1392215928 /nfs/dbraw/zinc/21/59/28/1392215928.db2.gz LIEABWRZTWTKMM-CMZLPQLFSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001479337851 1392218861 /nfs/dbraw/zinc/21/88/61/1392218861.db2.gz FJLPQWXRLJEKRC-OTWHNJEPSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CC[C@@H]([NH2+][C@@H](C)c2ccccc2F)C1 ZINC001479495515 1392256457 /nfs/dbraw/zinc/25/64/57/1392256457.db2.gz PFRDMZSTNBZQIM-YESZJQIVSA-N 2 0 349.494 3.101 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)[C@@H]21 ZINC001479609808 1392285894 /nfs/dbraw/zinc/28/58/94/1392285894.db2.gz APJVRFRLBDFQCK-MISYRCLQSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001479609847 1392286204 /nfs/dbraw/zinc/28/62/04/1392286204.db2.gz AWCIQAIMILNNBM-RLLQIKCJSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)C3CC[NH+](C)CC3)C(C)(C)[C@H]21 ZINC001479614952 1392289276 /nfs/dbraw/zinc/28/92/76/1392289276.db2.gz UGZCFHHDRJEOII-QYZOEREBSA-N 2 0 349.563 3.124 10 0 EGAERP CCc1ccccc1C[NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001479692168 1392323430 /nfs/dbraw/zinc/32/34/30/1392323430.db2.gz JMVIRPNFWXITIJ-FQEVSTJZSA-N 2 0 345.531 3.062 10 0 EGAERP Cc1cc(C)c(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2C)c(C)c1 ZINC001479717256 1392334685 /nfs/dbraw/zinc/33/46/85/1392334685.db2.gz XWAYKEIWUPKBPR-QUCCMNQESA-N 2 0 345.531 3.033 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)[C@@H]1C)[NH+](CC)CC ZINC001479719178 1392336577 /nfs/dbraw/zinc/33/65/77/1392336577.db2.gz ZUEXGJKVMMTOIL-NZSAHSFTSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479747246 1392365018 /nfs/dbraw/zinc/36/50/18/1392365018.db2.gz YUGLAZIIFRFLJZ-PLQXZHKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC12CC[NH+](CC1CCC(C)CC1)CC2 ZINC001479988466 1392519890 /nfs/dbraw/zinc/51/98/90/1392519890.db2.gz PZBGQNNXAGPWMJ-ACBHZAAOSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001480099810 1392584532 /nfs/dbraw/zinc/58/45/32/1392584532.db2.gz LMZATKPMGDFVPZ-DVMSICGOSA-N 2 0 349.563 3.386 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001480209593 1392623015 /nfs/dbraw/zinc/62/30/15/1392623015.db2.gz XDCCXMLXCUELQP-CEXWTWQISA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)CC[NH+](C)C)C1)c1ccc2ccccc2c1 ZINC001480219970 1392625701 /nfs/dbraw/zinc/62/57/01/1392625701.db2.gz GDSSYZYOIWAKQG-RYGJVYDSSA-N 2 0 339.483 3.089 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480266458 1392651474 /nfs/dbraw/zinc/65/14/74/1392651474.db2.gz STYRCSPWLYFXIX-INPAECQJSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001480283414 1392658893 /nfs/dbraw/zinc/65/88/93/1392658893.db2.gz JOFGQVKGFFAZRK-WLMAVBAVSA-N 2 0 335.536 3.044 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480291201 1392662070 /nfs/dbraw/zinc/66/20/70/1392662070.db2.gz FARIVANUEWWIRA-QWNKOJSDSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480350114 1392699572 /nfs/dbraw/zinc/69/95/72/1392699572.db2.gz PQKPUQGGVNJFRG-HPFMTEOYSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001480593194 1392810214 /nfs/dbraw/zinc/81/02/14/1392810214.db2.gz RMGYMBPNKMJNCZ-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)(C(=O)N[C@H]1CCC[C@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001480697434 1392860681 /nfs/dbraw/zinc/86/06/81/1392860681.db2.gz FHPPZDBMTJCPFM-OALUTQOASA-N 2 0 349.563 3.458 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001480710365 1392872590 /nfs/dbraw/zinc/87/25/90/1392872590.db2.gz VUZQSBIYTFMQEJ-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]([NH+](C)CCCC(C)(C)C)C2)CC[N@@H+]1C ZINC001480725973 1392886846 /nfs/dbraw/zinc/88/68/46/1392886846.db2.gz YWTYLDREMMUOIH-KZNAEPCWSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+](C)[C@H]1CCCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001480742603 1392909019 /nfs/dbraw/zinc/90/90/19/1392909019.db2.gz OIMFPZUTFYFFHA-OALUTQOASA-N 2 0 345.531 3.319 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001480825143 1392962518 /nfs/dbraw/zinc/96/25/18/1392962518.db2.gz ZIGYSHVUONONKW-BQWVTDQKSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccc(C)cc1C ZINC001481018491 1393094611 /nfs/dbraw/zinc/09/46/11/1393094611.db2.gz NIIANEVCARPSGX-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001481046561 1393105364 /nfs/dbraw/zinc/10/53/64/1393105364.db2.gz LAJVMADWBNJGCM-QGZVFWFLSA-N 2 0 342.487 3.417 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)[N@H+](C)C2CCCC2)cc1 ZINC001481250626 1393153624 /nfs/dbraw/zinc/15/36/24/1393153624.db2.gz XGJCRTFZPCKQQA-UHFFFAOYSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001481344481 1393169041 /nfs/dbraw/zinc/16/90/41/1393169041.db2.gz YDQQTYXLJOTTHT-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698914147 1406647942 /nfs/dbraw/zinc/64/79/42/1406647942.db2.gz KCSBLGSOOCTFNI-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001490376170 1394205880 /nfs/dbraw/zinc/20/58/80/1394205880.db2.gz IRVFAZCPORNFFG-HXUWFJFHSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC12CC[NH+](CCCC1CCCC1)CC2 ZINC001490611428 1394281681 /nfs/dbraw/zinc/28/16/81/1394281681.db2.gz UCPCSSKOWVKWHO-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001490838244 1394359223 /nfs/dbraw/zinc/35/92/23/1394359223.db2.gz QCEHFAVILPQWDW-KFONASLZSA-N 2 0 347.547 3.330 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001698950594 1406691158 /nfs/dbraw/zinc/69/11/58/1406691158.db2.gz ADWNIFHAAVNJST-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001491109268 1394430664 /nfs/dbraw/zinc/43/06/64/1394430664.db2.gz FZMRSHLJTUWEGM-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H](C[NH2+]CCCC(C)(C)C)C1)C1CCC1 ZINC001491153292 1394452269 /nfs/dbraw/zinc/45/22/69/1394452269.db2.gz KBUWRZAMVWZJRB-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001481731525 1394480245 /nfs/dbraw/zinc/48/02/45/1394480245.db2.gz VFHMUEFRADUNFQ-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481740938 1394487238 /nfs/dbraw/zinc/48/72/38/1394487238.db2.gz GMVKTAWYCPJUBQ-VQTJNVASSA-N 2 0 345.531 3.148 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001481747162 1394492632 /nfs/dbraw/zinc/49/26/32/1394492632.db2.gz NAYRFJYGGBCGRJ-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)CCCC(=O)NC1CCC([NH2+]CCC2CCCCC2)CC1 ZINC001491360449 1394512148 /nfs/dbraw/zinc/51/21/48/1394512148.db2.gz DTTMTIFTFRYANL-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960105 1394621020 /nfs/dbraw/zinc/62/10/20/1394621020.db2.gz BAJGFCYXCREPNO-DYESRHJHSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CCC2CCCC2)CC1)[NH+](C)C ZINC001482006744 1394666759 /nfs/dbraw/zinc/66/67/59/1394666759.db2.gz IHGFTDBPMNMVRF-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]Cc1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001482034895 1394695338 /nfs/dbraw/zinc/69/53/38/1394695338.db2.gz GODODAILJTUWSR-NRFANRHFSA-N 2 0 343.515 3.069 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CC2(CCC2)C1)C(C)C ZINC001698960352 1406713449 /nfs/dbraw/zinc/71/34/49/1406713449.db2.gz HGQIKLAPRBQHBD-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001482317078 1394888518 /nfs/dbraw/zinc/88/85/18/1394888518.db2.gz NWBJFWKQLUQLLR-QGZVFWFLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001482337194 1394904691 /nfs/dbraw/zinc/90/46/91/1394904691.db2.gz OCPKJGNCDZCCDO-QZTJIDSGSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001482385745 1394946086 /nfs/dbraw/zinc/94/60/86/1394946086.db2.gz BESGAINECUQWII-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001482454117 1395012582 /nfs/dbraw/zinc/01/25/82/1395012582.db2.gz FQTSVAYZGQKPCQ-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CCCCCC[NH+]1CCC2(CCN(C(=O)[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC001483834300 1395102338 /nfs/dbraw/zinc/10/23/38/1395102338.db2.gz BCTQBOLFZFOTEE-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001483931757 1395150146 /nfs/dbraw/zinc/15/01/46/1395150146.db2.gz QYTXDNFXCPQRCG-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001483942786 1395154644 /nfs/dbraw/zinc/15/46/44/1395154644.db2.gz QPNTXHDTWKZAJY-NEPBSLMDSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001483958394 1395162644 /nfs/dbraw/zinc/16/26/44/1395162644.db2.gz HEPUHHPYOTVAOF-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)C1)C2 ZINC001484023023 1395194992 /nfs/dbraw/zinc/19/49/92/1395194992.db2.gz UDTRERRUBFUWJY-TZIWHRDSSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CC2CCCCCC2)C1 ZINC001484046844 1395211705 /nfs/dbraw/zinc/21/17/05/1395211705.db2.gz AIQJWRHGNZSNSW-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)=CC[NH+]1CC[C@@](C)(NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001484053228 1395216615 /nfs/dbraw/zinc/21/66/15/1395216615.db2.gz BEYBFEUGVYNXHZ-HXUWFJFHSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CCC(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C(C)(C)C)cc2)C1 ZINC001484057332 1395220338 /nfs/dbraw/zinc/22/03/38/1395220338.db2.gz IFSSLLUBFQLZNB-OAQYLSRUSA-N 2 0 345.531 3.016 10 0 EGAERP C[C@@H](c1ccc(Cl)cc1)[N@@H+]1CC[C@](C)(NC(=O)C[NH+]2CCCC2)C1 ZINC001484072197 1395234455 /nfs/dbraw/zinc/23/44/55/1395234455.db2.gz RPFNKWMKPZMQPW-KXBFYZLASA-N 2 0 349.906 3.077 10 0 EGAERP CC[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001484168325 1395305680 /nfs/dbraw/zinc/30/56/80/1395305680.db2.gz MRTHLNLRMQJQKJ-FPOVZHCZSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@](C)(CNC(=O)CCCC[NH+]2CCCC2)C1 ZINC001484172743 1395315279 /nfs/dbraw/zinc/31/52/79/1395315279.db2.gz ANBZLAYAFYOYLT-NRFANRHFSA-N 2 0 349.563 3.437 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+](C)C1CCC1)C2 ZINC001484389028 1395356064 /nfs/dbraw/zinc/35/60/64/1395356064.db2.gz UHXOYJUVMIBAHH-GGPHIMKMSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)C2 ZINC001484389938 1395358292 /nfs/dbraw/zinc/35/82/92/1395358292.db2.gz AIQPEWNYBPOBCF-ACDBMABISA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)CC1 ZINC001484396744 1395366523 /nfs/dbraw/zinc/36/65/23/1395366523.db2.gz NMESNRGDYZTZEY-MXVIHJGJSA-N 2 0 349.563 3.031 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CCC[NH+](CCC2CC2)CC1 ZINC001484719122 1395481025 /nfs/dbraw/zinc/48/10/25/1395481025.db2.gz XSPPWTWJGHDLNV-GOSISDBHSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H](C)C[N@@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001484874553 1395577056 /nfs/dbraw/zinc/57/70/56/1395577056.db2.gz SYULPFVKYVZZQL-UZLBHIALSA-N 2 0 345.531 3.251 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001484978924 1395619434 /nfs/dbraw/zinc/61/94/34/1395619434.db2.gz KIIVXDAKANWWMA-MJGOQNOKSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C1CCC([NH2+]CC=C(C)C)CC1 ZINC001485238952 1395731741 /nfs/dbraw/zinc/73/17/41/1395731741.db2.gz UELYMYRMBGRGIP-CTWPCTMYSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[NH2+]C1CCC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001485240403 1395733675 /nfs/dbraw/zinc/73/36/75/1395733675.db2.gz AGVGFETWWDVVLA-LMDPOFIKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH+](C)CC1CCCC1 ZINC001485332192 1395805044 /nfs/dbraw/zinc/80/50/44/1395805044.db2.gz MICQBHHRZYOVHH-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485339761 1395811898 /nfs/dbraw/zinc/81/18/98/1395811898.db2.gz JPZOFJNISFQDKL-PXNSSMCTSA-N 2 0 345.531 3.231 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH+](C)CCCC1CCCC1 ZINC001485345995 1395818492 /nfs/dbraw/zinc/81/84/92/1395818492.db2.gz WZLPYYUIZOBWIV-LNLFQRSKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H](C)[NH+](C)Cc1ccc(C2CCC2)cc1 ZINC001485390256 1395882152 /nfs/dbraw/zinc/88/21/52/1395882152.db2.gz YQDAXWFSNBDTJP-QGZVFWFLSA-N 2 0 345.531 3.231 10 0 EGAERP Cc1ccccc1[C@H](C)[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001698996050 1406794059 /nfs/dbraw/zinc/79/40/59/1406794059.db2.gz PIKQHXLEWCVOLW-FHWLQOOXSA-N 2 0 345.531 3.177 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CC1CCC(C)CC1 ZINC001499559589 1396183952 /nfs/dbraw/zinc/18/39/52/1396183952.db2.gz XSEIZYJDVRWOPF-KHSMEXAKSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001499934871 1396184960 /nfs/dbraw/zinc/18/49/60/1396184960.db2.gz MFLWEJCOPXHLSG-LJQANCHMSA-N 2 0 331.504 3.133 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2CCCCC2)C(C)(C)C1 ZINC001486248591 1396188962 /nfs/dbraw/zinc/18/89/62/1396188962.db2.gz XPONUROOAVWPFY-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001502732097 1396222888 /nfs/dbraw/zinc/22/28/88/1396222888.db2.gz WATBJHDJNVGQTP-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001503024517 1396241740 /nfs/dbraw/zinc/24/17/40/1396241740.db2.gz YWRMHRKERMXHKY-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCCC[N@@H+]3C)CC2)CC1 ZINC001503764969 1396268603 /nfs/dbraw/zinc/26/86/03/1396268603.db2.gz YRNALZJFAWDOIP-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCCC1)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001699002253 1406815465 /nfs/dbraw/zinc/81/54/65/1406815465.db2.gz RSVGZNONTVDZBJ-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+](CC/C=C/c1ccccc1)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001492370216 1396321360 /nfs/dbraw/zinc/32/13/60/1396321360.db2.gz QZOMNUABNVDBTD-NTUHNPAUSA-N 2 0 343.515 3.012 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC(C)C)CC1 ZINC001493827700 1396343360 /nfs/dbraw/zinc/34/33/60/1396343360.db2.gz POEOZNXREMVMCS-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001494876844 1396505172 /nfs/dbraw/zinc/50/51/72/1396505172.db2.gz RGOPMUWVJRSJJU-LJQANCHMSA-N 2 0 331.504 3.085 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCC(C)CC1 ZINC001497689617 1396785500 /nfs/dbraw/zinc/78/55/00/1396785500.db2.gz AIKKIZNKTDUOJG-RPAKOWINSA-N 2 0 349.563 3.338 10 0 EGAERP CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)c1ccc(CC[NH+](C)C)cc1 ZINC001689051808 1396847468 /nfs/dbraw/zinc/84/74/68/1396847468.db2.gz FGSPDRKUIGDMAL-PXNSSMCTSA-N 2 0 345.531 3.031 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1CC[NH2+]CC1CC1 ZINC001689056810 1396857416 /nfs/dbraw/zinc/85/74/16/1396857416.db2.gz YOQPLQRMYJYDLR-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001689056519 1396857879 /nfs/dbraw/zinc/85/78/79/1396857879.db2.gz VFSQIUKAOGKQQJ-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001689124903 1396930325 /nfs/dbraw/zinc/93/03/25/1396930325.db2.gz HUYJDWGBFPXADX-GUDVDZBRSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCC1 ZINC001689176826 1396959364 /nfs/dbraw/zinc/95/93/64/1396959364.db2.gz MKCFMJKABMTZJU-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)[C@H]1CC ZINC001689197854 1396968777 /nfs/dbraw/zinc/96/87/77/1396968777.db2.gz HFVNFYGAYYLLQK-IPMKNSEASA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001689270760 1397003939 /nfs/dbraw/zinc/00/39/39/1397003939.db2.gz VREOZIHOHFVKNJ-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCCCC[C@@H]([NH2+]CCF)C1)c1ccccc1 ZINC001689272196 1397008531 /nfs/dbraw/zinc/00/85/31/1397008531.db2.gz XRUQJBRKEGNXDU-RTBURBONSA-N 2 0 349.494 3.010 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@H]2C[NH2+]CCC2CCCC2)CCC1 ZINC001498490016 1397034384 /nfs/dbraw/zinc/03/43/84/1397034384.db2.gz XFXWRWDAYSJWCI-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001689363731 1403703063 /nfs/dbraw/zinc/70/30/63/1403703063.db2.gz YYLDYQSFHZRMMT-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CC1CCCCC1 ZINC001689859462 1404174146 /nfs/dbraw/zinc/17/41/46/1404174146.db2.gz QHKNTYMOPHHUPH-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)Cc2ccc(C)cc2)CC[N@@H+]1C ZINC001689932853 1404215327 /nfs/dbraw/zinc/21/53/27/1404215327.db2.gz QNOVMQPKVAVGLR-VQTJNVASSA-N 2 0 345.531 3.054 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001690030178 1404268796 /nfs/dbraw/zinc/26/87/96/1404268796.db2.gz URKNKJJEBZKXFY-MJGOQNOKSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(N(C)C(=O)CCCC[NH+]2CCCC2)CC1 ZINC001690030777 1404269613 /nfs/dbraw/zinc/26/96/13/1404269613.db2.gz JHZTXFHBTHJXTH-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001690216728 1404425463 /nfs/dbraw/zinc/42/54/63/1404425463.db2.gz XEALQZQYQXXZJI-BLZKPZPTSA-N 2 0 347.547 3.281 10 0 EGAERP CC(C)[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690317492 1404473785 /nfs/dbraw/zinc/47/37/85/1404473785.db2.gz HGIZMVZFLWVLBY-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CCC)CC[C@@H]21 ZINC001690318444 1404476013 /nfs/dbraw/zinc/47/60/13/1404476013.db2.gz UAUHVFCVTXKKTL-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001690370127 1404500526 /nfs/dbraw/zinc/50/05/26/1404500526.db2.gz LDTYTXWGXUJKTP-KDURUIRLSA-N 2 0 335.536 3.070 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001690383725 1404515497 /nfs/dbraw/zinc/51/54/97/1404515497.db2.gz VJLDEKKMAWQUDL-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690413804 1404545476 /nfs/dbraw/zinc/54/54/76/1404545476.db2.gz KYYFMQKSQWPDSP-DOTOQJQBSA-N 2 0 342.487 3.131 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001690487384 1404601781 /nfs/dbraw/zinc/60/17/81/1404601781.db2.gz RHRWYMATMQTWBG-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCCC(C)(C)C)[NH+]1CCCC1 ZINC001690650614 1404681943 /nfs/dbraw/zinc/68/19/43/1404681943.db2.gz NSSZAJJVEXKFSZ-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CCCC2CCCC2)C1 ZINC001690757993 1404712076 /nfs/dbraw/zinc/71/20/76/1404712076.db2.gz SQYBYRSMWYYYFT-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001690825375 1404763096 /nfs/dbraw/zinc/76/30/96/1404763096.db2.gz XGZINQYZKJYODK-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001690880840 1404794240 /nfs/dbraw/zinc/79/42/40/1404794240.db2.gz BVRQHGLIWGYHRZ-KRWDZBQOSA-N 2 0 341.499 3.164 10 0 EGAERP CCC(CC)C[NH2+][C@H](C)C1CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001732002615 1428213430 /nfs/dbraw/zinc/21/34/30/1428213430.db2.gz LUOQBOMPPBYYSQ-UTKZUKDTSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CCCCCC1 ZINC001691317427 1405204095 /nfs/dbraw/zinc/20/40/95/1405204095.db2.gz VICCHNPZNFWWIE-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691353991 1405211332 /nfs/dbraw/zinc/21/13/32/1405211332.db2.gz TUBRAEDBTRSWKW-CEXWTWQISA-N 2 0 337.552 3.266 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+](C)CCC)C(C)(C)[C@@H]21 ZINC001691427945 1405260693 /nfs/dbraw/zinc/26/06/93/1405260693.db2.gz HAVTZHNULMSZGY-BHIYHBOVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691428059 1405262040 /nfs/dbraw/zinc/26/20/40/1405262040.db2.gz IKOVIMLQTDGORY-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CCC3CC3)[C@@H]2C1(C)C ZINC001691428695 1405262867 /nfs/dbraw/zinc/26/28/67/1405262867.db2.gz PPLUQPRABHNGDR-RLLQIKCJSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001691447252 1405274395 /nfs/dbraw/zinc/27/43/95/1405274395.db2.gz VNTINFKWLKNTKN-SNHAVAMSSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccccc2F)C1 ZINC001691637179 1405373387 /nfs/dbraw/zinc/37/33/87/1405373387.db2.gz UWANVMVXPPVHHG-GOSISDBHSA-N 2 0 349.494 3.027 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H]2CN(C)C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001691670792 1405405071 /nfs/dbraw/zinc/40/50/71/1405405071.db2.gz ULDYHZXYGVVXJE-UUKMXZOPSA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@@H]1CC[NH2+]CCC(C)(C)C ZINC001691733721 1405456069 /nfs/dbraw/zinc/45/60/69/1405456069.db2.gz SRPYOWVXXIGCIY-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC(C)(C)C)CC(C)(C)C1 ZINC001691818393 1405533271 /nfs/dbraw/zinc/53/32/71/1405533271.db2.gz BTWNHWYROJHSIM-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)c1cccc(F)c1 ZINC001691837968 1405550464 /nfs/dbraw/zinc/55/04/64/1405550464.db2.gz SXEHSWJHIWCTSM-GJYPPUQNSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H](C(=O)N1CCC[C@@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001731421027 1427399055 /nfs/dbraw/zinc/39/90/55/1427399055.db2.gz CIQBTZWJVJHGCT-QUCCMNQESA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[C@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691959691 1405676909 /nfs/dbraw/zinc/67/69/09/1405676909.db2.gz BHYIDHWRUINZCX-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001692092799 1405768866 /nfs/dbraw/zinc/76/88/66/1405768866.db2.gz MRTSHMWFCBRHRP-GUDVDZBRSA-N 2 0 331.504 3.059 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001692252509 1405877273 /nfs/dbraw/zinc/87/72/73/1405877273.db2.gz LWWCPOVOLWPFEN-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](c1cccc(F)c1)[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001692258007 1405886287 /nfs/dbraw/zinc/88/62/87/1405886287.db2.gz ZRCOAGAYZLTBIE-LPHOPBHVSA-N 2 0 349.494 3.151 10 0 EGAERP CCC/C=C\CC[NH+]1CC(CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001692317986 1405936585 /nfs/dbraw/zinc/93/65/85/1405936585.db2.gz KBVHTEWBLMAPJA-WAYWQWQTSA-N 2 0 340.471 3.051 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCCCC1 ZINC001692368253 1405977938 /nfs/dbraw/zinc/97/79/38/1405977938.db2.gz LXLFIOLKGVVRNT-MJGOQNOKSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCC1CC1 ZINC001732008994 1428222497 /nfs/dbraw/zinc/22/24/97/1428222497.db2.gz GDQPTHNIUIEVME-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP Cc1c(C(=O)NCCC[N@H+](CC2CCC2)C(C)C)ccc2c[nH+]cn21 ZINC001732010600 1428224054 /nfs/dbraw/zinc/22/40/54/1428224054.db2.gz KFHUSXAGESQLJH-UHFFFAOYSA-N 2 0 342.487 3.273 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001698553884 1406152004 /nfs/dbraw/zinc/15/20/04/1406152004.db2.gz SVVQEXUBNHRNHS-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2cccc(C)c2)C1 ZINC001732041585 1428271440 /nfs/dbraw/zinc/27/14/40/1428271440.db2.gz KDEHLWCBDRJQIR-HXUWFJFHSA-N 2 0 345.531 3.148 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001732073104 1428322235 /nfs/dbraw/zinc/32/22/35/1428322235.db2.gz ODEFXMRIKYLHFV-CNUAAPAUSA-N 2 0 349.563 3.243 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732073615 1428323045 /nfs/dbraw/zinc/32/30/45/1428323045.db2.gz RDBIKNXSIHAIBB-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1cccc(C)c1 ZINC001732221875 1428470453 /nfs/dbraw/zinc/47/04/53/1428470453.db2.gz HHXKRIPGIKFXLY-QUCCMNQESA-N 2 0 345.531 3.244 10 0 EGAERP Cc1ccc(C[NH+]2CCC(CCNC(=O)C[N@@H+](C)C(C)C)CC2)cc1 ZINC001732325647 1428534439 /nfs/dbraw/zinc/53/44/39/1428534439.db2.gz YOFLWPRPCQWZTI-UHFFFAOYSA-N 2 0 345.531 3.054 10 0 EGAERP CCC(CC)C[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)C(C)C)CC2 ZINC001732330445 1428536833 /nfs/dbraw/zinc/53/68/33/1428536833.db2.gz BWKMIOVBEJPWLF-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001732425342 1428575814 /nfs/dbraw/zinc/57/58/14/1428575814.db2.gz DVZVFSUMZRGLBJ-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001732474772 1428601569 /nfs/dbraw/zinc/60/15/69/1428601569.db2.gz WAHFMFZSOXYFKH-WOJBJXKFSA-N 2 0 349.563 3.029 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001732477772 1428603924 /nfs/dbraw/zinc/60/39/24/1428603924.db2.gz OQXLSQQAXLHNIJ-ZRHASKPBSA-N 2 0 347.547 3.093 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)C[C@H]1C ZINC001732500049 1428621148 /nfs/dbraw/zinc/62/11/48/1428621148.db2.gz NZSXUBHTAQLYTG-SJLPKXTDSA-N 2 0 349.519 3.362 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CC(C)(C)C1 ZINC001732511459 1428631127 /nfs/dbraw/zinc/63/11/27/1428631127.db2.gz HTMRBBLQERMMNJ-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CC2CCC2)CC1 ZINC001732519134 1428637800 /nfs/dbraw/zinc/63/78/00/1428637800.db2.gz SDYGVDDDCALUSN-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699109307 1412514340 /nfs/dbraw/zinc/51/43/40/1412514340.db2.gz HIWFBZIWXLLGDD-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C(=O)NC/C=C/C[NH2+][C@@H](C)c1cccc(Cl)c1)[NH+](C)C ZINC001699307423 1412629494 /nfs/dbraw/zinc/62/94/94/1412629494.db2.gz GEHTUTCDHJGAPR-MFTLYIETSA-N 2 0 337.895 3.003 10 0 EGAERP C[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCCCC1)[NH+]1CCCCCC1 ZINC001699313279 1412633581 /nfs/dbraw/zinc/63/35/81/1412633581.db2.gz FQUSWQHYTHKEOZ-DVBCCOPCSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001699606899 1412970630 /nfs/dbraw/zinc/97/06/30/1412970630.db2.gz OPZXDQUFXHOSOC-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001699607349 1412971087 /nfs/dbraw/zinc/97/10/87/1412971087.db2.gz QVEKTFZPZOVBSX-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC([C@@H]2CC[N@H+](CCC3CCCC3)C2)CC1 ZINC001699677685 1413072649 /nfs/dbraw/zinc/07/26/49/1413072649.db2.gz XVFROGUBQSDHCZ-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001699688638 1413089792 /nfs/dbraw/zinc/08/97/92/1413089792.db2.gz HJKHVHKDRFVLOZ-KRWDZBQOSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001699697919 1413109089 /nfs/dbraw/zinc/10/90/89/1413109089.db2.gz VNRPMCDYVPXKLT-CQQBXOTJSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001699698262 1413109594 /nfs/dbraw/zinc/10/95/94/1413109594.db2.gz ZCXMZGOZJGXQAK-OAQYLSRUSA-N 2 0 349.563 3.367 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699743637 1413154590 /nfs/dbraw/zinc/15/45/90/1413154590.db2.gz PNQUWSHJFHZTPD-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CCCC(C)C)C1 ZINC001699757369 1413164071 /nfs/dbraw/zinc/16/40/71/1413164071.db2.gz QUGSNEAUCKDCEZ-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001699797272 1413206669 /nfs/dbraw/zinc/20/66/69/1413206669.db2.gz ZCNGURAMGRTALR-UXHICEINSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1CC1)C1CCCC1)[NH+]1CCCCC1 ZINC001699798294 1413208004 /nfs/dbraw/zinc/20/80/04/1413208004.db2.gz FYHPPMKFEXWKQR-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001699838448 1413266991 /nfs/dbraw/zinc/26/69/91/1413266991.db2.gz UFNBAFFKMSQRCX-PZJWPPBQSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001699862416 1413297631 /nfs/dbraw/zinc/29/76/31/1413297631.db2.gz VJLYLLZVNAJEEV-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@](C)(CNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001699875080 1413330586 /nfs/dbraw/zinc/33/05/86/1413330586.db2.gz QTIPNTDIFNTCQY-RURPWVQCSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@](C)(CNC(=O)C[NH+](C)C2CCC2)C1 ZINC001699876443 1413335325 /nfs/dbraw/zinc/33/53/25/1413335325.db2.gz YATJNBUEISSIIG-XJDXJNMNSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]([NH2+]CCC1CC1)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001699939961 1413383409 /nfs/dbraw/zinc/38/34/09/1413383409.db2.gz HQMNIRGGBBSBFV-SJLPKXTDSA-N 2 0 349.563 3.266 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001700011821 1413454436 /nfs/dbraw/zinc/45/44/36/1413454436.db2.gz LKQKDZBACWYTOQ-GUDVDZBRSA-N 2 0 335.536 3.115 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001700011823 1413454478 /nfs/dbraw/zinc/45/44/78/1413454478.db2.gz LKQKDZBACWYTOQ-OTWHNJEPSA-N 2 0 335.536 3.115 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001700015343 1413461189 /nfs/dbraw/zinc/46/11/89/1413461189.db2.gz BEUQZTOEVRODSW-ZCNNSNEGSA-N 2 0 349.563 3.362 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001732549346 1428729276 /nfs/dbraw/zinc/72/92/76/1428729276.db2.gz VZJRRLMTIIHWBC-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001700103198 1413521014 /nfs/dbraw/zinc/52/10/14/1413521014.db2.gz QMJATPHPMMDFBE-GUDVDZBRSA-N 2 0 337.552 3.029 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](Cc2ccccc2F)CC1 ZINC001700184381 1413602589 /nfs/dbraw/zinc/60/25/89/1413602589.db2.gz LQRTZOUADSQINA-GOSISDBHSA-N 2 0 349.494 3.028 10 0 EGAERP CN(CCC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001700202401 1413646302 /nfs/dbraw/zinc/64/63/02/1413646302.db2.gz BFTICRWBFMQFAF-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001700203223 1413647323 /nfs/dbraw/zinc/64/73/23/1413647323.db2.gz QHYIUELSBZWVBM-KKHYBRAUSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557895 1428746090 /nfs/dbraw/zinc/74/60/90/1428746090.db2.gz HTSRRDXTWLWGEW-RTBURBONSA-N 2 0 335.536 3.092 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001700229202 1413687019 /nfs/dbraw/zinc/68/70/19/1413687019.db2.gz ISGDJOYERGJZNT-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001700283440 1413729880 /nfs/dbraw/zinc/72/98/80/1413729880.db2.gz ISKZDTTZJWPKKT-GOSISDBHSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C2(C)CCN(C(=O)Cc3cnc[nH]3)CC2)C1 ZINC001700286303 1413733692 /nfs/dbraw/zinc/73/36/92/1413733692.db2.gz IURMTENGKSIJOG-SJORKVTESA-N 2 0 346.519 3.139 10 0 EGAERP C[C@@H](CCNC(=O)c1sccc1C[NH+](C)C)[NH2+]CC1=CCCCC1 ZINC001700324250 1413793003 /nfs/dbraw/zinc/79/30/03/1413793003.db2.gz HGOMKLWIQDJPRW-HNNXBMFYSA-N 2 0 349.544 3.408 10 0 EGAERP CC[N@H+](CCC(C)C)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700340866 1413821582 /nfs/dbraw/zinc/82/15/82/1413821582.db2.gz JQTKKJUJJHJLND-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C)C[N@H+](CC)CC1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001700341588 1413824451 /nfs/dbraw/zinc/82/44/51/1413824451.db2.gz WVSDERHICDDJRQ-QGZVFWFLSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCCC2CCC2)CC[N@@H+]1C ZINC001700355767 1413857656 /nfs/dbraw/zinc/85/76/56/1413857656.db2.gz BAMIWUUZSTYQET-YSIASYRMSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CC3CCC3)C2)C1 ZINC001700362955 1413879675 /nfs/dbraw/zinc/87/96/75/1413879675.db2.gz NKEAROQILZAILJ-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001700379313 1413906328 /nfs/dbraw/zinc/90/63/28/1413906328.db2.gz SZKUWJRUWQWASD-CTWPCTMYSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001700405625 1413942752 /nfs/dbraw/zinc/94/27/52/1413942752.db2.gz REJWMLDLSVISDD-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CCc1ccccc1C[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001700436260 1414003365 /nfs/dbraw/zinc/00/33/65/1414003365.db2.gz BZKWZQYCAKHLBG-UHFFFAOYSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001732573953 1428772335 /nfs/dbraw/zinc/77/23/35/1428772335.db2.gz SWDOHYWYYCOSMK-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1CC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700442788 1414015220 /nfs/dbraw/zinc/01/52/20/1414015220.db2.gz JGUKQWDZDPBLCF-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C\c1ccccc1 ZINC001700461655 1414060820 /nfs/dbraw/zinc/06/08/20/1414060820.db2.gz AJABRHZILJSWKV-UXRNRCMTSA-N 2 0 343.515 3.009 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700485799 1414132195 /nfs/dbraw/zinc/13/21/95/1414132195.db2.gz ANHWSEGJVOGSEZ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@@H](C)C2)CCCCC1 ZINC001700514383 1414165199 /nfs/dbraw/zinc/16/51/99/1414165199.db2.gz QDRXYOZVBOXKMB-GOSISDBHSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]Cc2ccccc2F)CCCCC1 ZINC001700515740 1414167247 /nfs/dbraw/zinc/16/72/47/1414167247.db2.gz KHVLYUPHIFVFHX-UHFFFAOYSA-N 2 0 349.494 3.076 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCC3CCCCC3)CCCCC2)C1 ZINC001700520332 1414175120 /nfs/dbraw/zinc/17/51/20/1414175120.db2.gz CMTQNNHFRPKZTP-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)C1 ZINC001700574474 1414247124 /nfs/dbraw/zinc/24/71/24/1414247124.db2.gz PRUKHFJOAUYTNS-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H](CCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700664408 1414323187 /nfs/dbraw/zinc/32/31/87/1414323187.db2.gz FDCHXLIKVGINGH-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1cccc(F)c1)NC(=O)C1([NH+](C)C)CCC1 ZINC001700684851 1414337648 /nfs/dbraw/zinc/33/76/48/1414337648.db2.gz SZQCYVJSLQZMAE-CVEARBPZSA-N 2 0 349.494 3.246 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[C@@H](C[NH2+]CC1CCC1)C1CC1 ZINC001700724259 1414385286 /nfs/dbraw/zinc/38/52/86/1414385286.db2.gz STCRFHGGNGGXQU-UXHICEINSA-N 2 0 347.547 3.020 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]Cc1ccccc1 ZINC001700750708 1414420406 /nfs/dbraw/zinc/42/04/06/1414420406.db2.gz DJLUMWVIQMIFKN-FXAWDEMLSA-N 2 0 343.515 3.030 10 0 EGAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCCC1CCCC1 ZINC001700756062 1414427267 /nfs/dbraw/zinc/42/72/67/1414427267.db2.gz ZHJAQKNJVORBDD-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N(C)CC[NH+](C)CC2CCCCCC2)CC[N@@H+]1C ZINC001732589691 1428810078 /nfs/dbraw/zinc/81/00/78/1428810078.db2.gz HGAKHLSQEPQGKE-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001700781488 1414463994 /nfs/dbraw/zinc/46/39/94/1414463994.db2.gz XCGSYHBLFCLDKV-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@@H]1C ZINC001700824693 1414480746 /nfs/dbraw/zinc/48/07/46/1414480746.db2.gz XRFLCCDYYHFKPS-IEBWSBKVSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H]1C ZINC001700830394 1414484554 /nfs/dbraw/zinc/48/45/54/1414484554.db2.gz ULFAQEJPHAYVEX-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001700848450 1414497044 /nfs/dbraw/zinc/49/70/44/1414497044.db2.gz VCUYQUWSPJZRIO-LPHOPBHVSA-N 2 0 331.504 3.131 10 0 EGAERP C[N@H+](CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC1)CC2)C1CCCCC1 ZINC001700865185 1414516607 /nfs/dbraw/zinc/51/66/07/1414516607.db2.gz JBXJMDCYOYKMOQ-TZIWHRDSSA-N 2 0 347.547 3.164 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@H]1[NH+](CCCC1CCC1)CC2 ZINC001700868206 1414520650 /nfs/dbraw/zinc/52/06/50/1414520650.db2.gz QDYAPFAVIPJCFS-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001700875655 1414529860 /nfs/dbraw/zinc/52/98/60/1414529860.db2.gz SZPWYUWPFDVKIS-ZCNNSNEGSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CC2CCCCC2)CC1 ZINC001701008511 1414665985 /nfs/dbraw/zinc/66/59/85/1414665985.db2.gz PJOJKNVVRKZUHQ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001732595096 1428828139 /nfs/dbraw/zinc/82/81/39/1428828139.db2.gz PDWREAYYEZAXQT-UHFFFAOYSA-N 2 0 334.508 3.048 10 0 EGAERP CCc1ccc(C[N@H+](C)CCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001732597107 1428836934 /nfs/dbraw/zinc/83/69/34/1428836934.db2.gz HFNKTIXZPSVPSZ-ROUUACIJSA-N 2 0 345.531 3.012 10 0 EGAERP CCN(CC[NH2+]CCC1CCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC001732781321 1428966821 /nfs/dbraw/zinc/96/68/21/1428966821.db2.gz WQSQKVRXPKLAND-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCC(=O)NC/C=C/C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001732895266 1429033217 /nfs/dbraw/zinc/03/32/17/1429033217.db2.gz PHXOISFNUPJNAH-VOTSOKGWSA-N 2 0 337.552 3.053 10 0 EGAERP C[C@H](C(=O)NC/C=C/C[NH2+]CCC1CCCCC1)[NH+]1CCCCCC1 ZINC001732907828 1429041290 /nfs/dbraw/zinc/04/12/90/1429041290.db2.gz DFQZMZAQBMNRHK-IHHMQQGQSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001707078027 1417188189 /nfs/dbraw/zinc/18/81/89/1417188189.db2.gz RNMONUMERXOAPH-OKYOBFRVSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001707119518 1417209116 /nfs/dbraw/zinc/20/91/16/1417209116.db2.gz RXTABZCEMTVOGF-ZIFCJYIRSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCC1CCCC1 ZINC001707146712 1417222018 /nfs/dbraw/zinc/22/20/18/1417222018.db2.gz VXCFBZSDQPTYBK-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001707450128 1417354428 /nfs/dbraw/zinc/35/44/28/1417354428.db2.gz ZGWXPSIMNMWBQL-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](CC)CCCNC(=O)[C@H]1CC[NH+](C)C1 ZINC001707470732 1417371712 /nfs/dbraw/zinc/37/17/12/1417371712.db2.gz AKYRSNXBGDCPFU-PKOBYXMFSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H](c1ccccc1F)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001712952569 1417510610 /nfs/dbraw/zinc/51/06/10/1417510610.db2.gz PYDQPQMXBJVWLV-IAGOWNOFSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@@H](C(=O)NCCC[N@H+](C)Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001712972126 1417525337 /nfs/dbraw/zinc/52/53/37/1417525337.db2.gz MMGHVOZGLKUGDH-IBGZPJMESA-N 2 0 347.547 3.262 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC[N@H+](C)C/C=C/c1ccccc1 ZINC001712990955 1417542532 /nfs/dbraw/zinc/54/25/32/1417542532.db2.gz KQHPNQJQLNBIQP-BLRGSVSVSA-N 2 0 343.515 3.011 10 0 EGAERP CC[N@H+](CCCNC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC001713018992 1417571947 /nfs/dbraw/zinc/57/19/47/1417571947.db2.gz CDUAUIYOZCMBNV-SFHVURJKSA-N 2 0 345.531 3.450 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713166410 1417740725 /nfs/dbraw/zinc/74/07/25/1417740725.db2.gz RMXNNHWUKPQXBW-NOWNXGDRSA-N 2 0 347.547 3.377 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001713184638 1417760491 /nfs/dbraw/zinc/76/04/91/1417760491.db2.gz MISYLIJFBPTRAV-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713241640 1417827530 /nfs/dbraw/zinc/82/75/30/1417827530.db2.gz IPPMWFDEHBSUEZ-ICSRJNTNSA-N 2 0 345.531 3.308 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001713253114 1417847039 /nfs/dbraw/zinc/84/70/39/1417847039.db2.gz NFTVIMRFJKUJQF-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP CC1(C)CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)C[NH+]2CCCC2)CC1 ZINC001713258671 1417865253 /nfs/dbraw/zinc/86/52/53/1417865253.db2.gz CBBJCHAILXKIDA-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@H](C)C[N@H+](C)CCC1CCCCCC1 ZINC001733065146 1429218236 /nfs/dbraw/zinc/21/82/36/1429218236.db2.gz GXMPPWKHDIJHJW-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713349635 1417968723 /nfs/dbraw/zinc/96/87/23/1417968723.db2.gz IYUYMNJIZUGESI-VOFKWLDRSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001713364544 1417977815 /nfs/dbraw/zinc/97/78/15/1417977815.db2.gz RCSOULFFGDOMBU-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001713382711 1417993436 /nfs/dbraw/zinc/99/34/36/1417993436.db2.gz SRFPORBULFOJHN-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@@H](F)C[N@H+](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001713397263 1418015326 /nfs/dbraw/zinc/01/53/26/1418015326.db2.gz IOTJYDZQSNHUFR-MOPGFXCFSA-N 2 0 349.494 3.033 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417350 1418040632 /nfs/dbraw/zinc/04/06/32/1418040632.db2.gz OQHLWCABDUQZID-QUHFKBAASA-N 2 0 341.515 3.040 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001713438624 1418071857 /nfs/dbraw/zinc/07/18/57/1418071857.db2.gz GQLXWOCLURKQEZ-UXHICEINSA-N 2 0 349.563 3.410 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCCC[C@@H]1C[NH2+]CC1CCCC1 ZINC001733084871 1429237175 /nfs/dbraw/zinc/23/71/75/1429237175.db2.gz YSQLNJVDDOUCEN-UXHICEINSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001713517022 1418253489 /nfs/dbraw/zinc/25/34/89/1418253489.db2.gz BAIWKZCRIXUSGM-IEBWSBKVSA-N 2 0 331.504 3.060 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1C)Cc1ccc(C(C)C)cc1 ZINC001713544115 1418309614 /nfs/dbraw/zinc/30/96/14/1418309614.db2.gz FWYKANQEQYIBTJ-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H](C(=O)NCC[N@H+](CCC(C)(C)C)C1CC1)[NH+]1CCCCCC1 ZINC001713563535 1418368009 /nfs/dbraw/zinc/36/80/09/1418368009.db2.gz QPQMLTRQNYHCDD-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@@H](C)[NH2+]CCC2CC2)CC1 ZINC001713676299 1418428196 /nfs/dbraw/zinc/42/81/96/1418428196.db2.gz BQCPMBRCARQBIS-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713677080 1418429441 /nfs/dbraw/zinc/42/94/41/1418429441.db2.gz KOBFCGJSUPQFMA-DKRLNXSXSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CCC[NH2+]C/C=C\c1ccccc1 ZINC001733146882 1429262238 /nfs/dbraw/zinc/26/22/38/1429262238.db2.gz RKHUXLUCFDVWJX-DVYMXEPTSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001713763835 1418575421 /nfs/dbraw/zinc/57/54/21/1418575421.db2.gz FKHZSDICZPXJOE-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCCC2)C1)[NH+](CC)CC ZINC001713831107 1418630091 /nfs/dbraw/zinc/63/00/91/1418630091.db2.gz QDSIKXZZFOTIKI-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CCCN(C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)C1CC[NH+](CC(C)C)CC1 ZINC001713853644 1418650456 /nfs/dbraw/zinc/65/04/56/1418650456.db2.gz QFCQRHMBLBDAES-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001713891824 1418688589 /nfs/dbraw/zinc/68/85/89/1418688589.db2.gz LTBCXGWZSRGYIA-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001713912434 1418708100 /nfs/dbraw/zinc/70/81/00/1418708100.db2.gz XBUSFFGEYBDPFK-POZRZFPSSA-N 2 0 345.531 3.035 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001713975809 1418756286 /nfs/dbraw/zinc/75/62/86/1418756286.db2.gz NGCWGQKXLGDISZ-MOPGFXCFSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cc(C[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCCC3)C2)cs1 ZINC001714020141 1418802362 /nfs/dbraw/zinc/80/23/62/1418802362.db2.gz GDDTVDQCBYFMDD-HDICACEKSA-N 2 0 349.544 3.059 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001714047501 1418843998 /nfs/dbraw/zinc/84/39/98/1418843998.db2.gz AKNSBOOEBKLFSM-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCCC(C)C)C1 ZINC001714063935 1418860881 /nfs/dbraw/zinc/86/08/81/1418860881.db2.gz IXOJKEMJQVQIES-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075630 1418870157 /nfs/dbraw/zinc/87/01/57/1418870157.db2.gz YUEJFOYMUKZIJM-PMACEKPBSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714078081 1418872273 /nfs/dbraw/zinc/87/22/73/1418872273.db2.gz BZDLEJCQPGMRSV-QUCCMNQESA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H](C[NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001714093313 1418886983 /nfs/dbraw/zinc/88/69/83/1418886983.db2.gz LREVFZQJIPJMEW-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001714118267 1418922509 /nfs/dbraw/zinc/92/25/09/1418922509.db2.gz NUAIAHAONWIWDH-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714187094 1418994200 /nfs/dbraw/zinc/99/42/00/1418994200.db2.gz GSGFEENEZYCFTD-MZCYRKOTSA-N 2 0 335.536 3.233 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCC1CCCCC1 ZINC001714251244 1419036579 /nfs/dbraw/zinc/03/65/79/1419036579.db2.gz WGFXAPVTLAZYBV-IEBWSBKVSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001714268364 1419050131 /nfs/dbraw/zinc/05/01/31/1419050131.db2.gz POTPJHVATBYLFM-PMACEKPBSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1)CC(C)(C)C ZINC001714307186 1419087419 /nfs/dbraw/zinc/08/74/19/1419087419.db2.gz CUDSVZQNABODRO-QAQDUYKDSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCCC(C)C ZINC001733202917 1429308720 /nfs/dbraw/zinc/30/87/20/1429308720.db2.gz TXLJEVZLNBHLFD-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714403308 1419145436 /nfs/dbraw/zinc/14/54/36/1419145436.db2.gz LNVIZIHGXXFNNI-QVOQXLMASA-N 2 0 347.547 3.236 10 0 EGAERP C[C@@H](CNC(=O)C12CCC[NH+]1CCC2)C[NH2+]CCC1CCCCCC1 ZINC001714409774 1419149413 /nfs/dbraw/zinc/14/94/13/1419149413.db2.gz LPBHKTCOWFAFOL-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]C/C=C\c2ccccc2)C1 ZINC001714417834 1419154725 /nfs/dbraw/zinc/15/47/25/1419154725.db2.gz RBCFYCFNIVZNJC-JFYHIKNKSA-N 2 0 343.515 3.057 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CCCC1 ZINC001714496923 1419221686 /nfs/dbraw/zinc/22/16/86/1419221686.db2.gz HRNLRHSHXPAXMP-LJQANCHMSA-N 2 0 349.563 3.458 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001714516215 1419243121 /nfs/dbraw/zinc/24/31/21/1419243121.db2.gz BRRGPTUEYSNRNP-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@@H]2CCC[N@@H+]2CCCC2CCC2)CC1 ZINC001714528447 1419255248 /nfs/dbraw/zinc/25/52/48/1419255248.db2.gz XKNRBUATYKXKTM-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001714621707 1419388124 /nfs/dbraw/zinc/38/81/24/1419388124.db2.gz ILGXWAPQWACAHN-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714637022 1419408116 /nfs/dbraw/zinc/40/81/16/1419408116.db2.gz KOZJIIDILNCTGG-CHYADLBTSA-N 2 0 340.471 3.051 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001714665484 1419453091 /nfs/dbraw/zinc/45/30/91/1419453091.db2.gz KMHAYHSKYXHVNI-PMACEKPBSA-N 2 0 347.547 3.164 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001714806757 1419519270 /nfs/dbraw/zinc/51/92/70/1419519270.db2.gz LKPYVSRKTROZSZ-OSJSJHBBSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]([NH2+]CC1CCC2(CC2)CC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001714811014 1419522094 /nfs/dbraw/zinc/52/20/94/1419522094.db2.gz FCUQVCKHXYUCQM-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1CC1 ZINC001714827719 1419537950 /nfs/dbraw/zinc/53/79/50/1419537950.db2.gz HPVZUTQQIQOTHV-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]CC1CCCCC1)c1ccccc1 ZINC001714841604 1419554050 /nfs/dbraw/zinc/55/40/50/1419554050.db2.gz QUYWEOWHFQXIGK-HXUWFJFHSA-N 2 0 345.531 3.354 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CCC2(CC2)CC1 ZINC001733220116 1429338757 /nfs/dbraw/zinc/33/87/57/1429338757.db2.gz RZGFCNZVZNIPME-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714870515 1419599875 /nfs/dbraw/zinc/59/98/75/1419599875.db2.gz HXHJQCZCQIRPCU-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@H+](CC(=O)NCC[C@@H]1CC[NH+](CCC(C)(C)C)C1)CC(C)(C)C ZINC001714881213 1419617606 /nfs/dbraw/zinc/61/76/06/1419617606.db2.gz HKKNSYUKMXUOOW-QGZVFWFLSA-N 2 0 339.568 3.229 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001733225349 1429350040 /nfs/dbraw/zinc/35/00/40/1429350040.db2.gz GWSAXSUTQKZXAD-LXORQPIJSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001715015199 1419743284 /nfs/dbraw/zinc/74/32/84/1419743284.db2.gz KRIVPMOABBUPEB-GOSISDBHSA-N 2 0 342.487 3.369 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001715019056 1419750036 /nfs/dbraw/zinc/75/00/36/1419750036.db2.gz ILBIJBWVMKMBPB-MOPGFXCFSA-N 2 0 345.531 3.239 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001715030714 1419762827 /nfs/dbraw/zinc/76/28/27/1419762827.db2.gz IBEBFIYANSUSAL-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001715052772 1419793684 /nfs/dbraw/zinc/79/36/84/1419793684.db2.gz NSVWQFWXNATVDB-RBUKOAKNSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@@H]1C ZINC001715052768 1419793921 /nfs/dbraw/zinc/79/39/21/1419793921.db2.gz NSVWQFWXNATVDB-OALUTQOASA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C)C[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001715101235 1419841665 /nfs/dbraw/zinc/84/16/65/1419841665.db2.gz ZIPJAYSIHXKCNR-INIZCTEOSA-N 2 0 325.541 3.029 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001715184418 1419917501 /nfs/dbraw/zinc/91/75/01/1419917501.db2.gz VAEYQLGCSDIRSB-ATOPOVMOSA-N 2 0 349.563 3.480 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001715204809 1419938902 /nfs/dbraw/zinc/93/89/02/1419938902.db2.gz IZTQQQKZKFPMCA-SFHVURJKSA-N 2 0 345.531 3.226 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CCCCCC1 ZINC001715227899 1419960403 /nfs/dbraw/zinc/96/04/03/1419960403.db2.gz GSWLCNCCKOYNRP-XLIONFOSSA-N 2 0 349.563 3.031 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C[NH2+]CC1CCCCCC1 ZINC001715239787 1419969606 /nfs/dbraw/zinc/96/96/06/1419969606.db2.gz PURCCQUJFYOPDD-SFHVURJKSA-N 2 0 349.563 3.175 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC2([NH2+]C[C@H](C)CC)CCCC2)C1 ZINC001715304334 1420012586 /nfs/dbraw/zinc/01/25/86/1420012586.db2.gz NIDYWQJXODOSAD-QZTJIDSGSA-N 2 0 337.552 3.173 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)C3(C[NH+](C)C)CC3)CCCC2)CC1 ZINC001715306014 1420015165 /nfs/dbraw/zinc/01/51/65/1420015165.db2.gz XLZNINNDMLCPKV-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CCC(CC)C[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001715315619 1420024528 /nfs/dbraw/zinc/02/45/28/1420024528.db2.gz CPPLTCVPQIDOEJ-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)CCC[NH+]1CCCCC1 ZINC001715373749 1420069837 /nfs/dbraw/zinc/06/98/37/1420069837.db2.gz CYABEDBCNDFMIC-GOSISDBHSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001715382571 1420079525 /nfs/dbraw/zinc/07/95/25/1420079525.db2.gz LOMULHFMKHWNNZ-WOJBJXKFSA-N 2 0 349.563 3.480 10 0 EGAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001715402982 1420102124 /nfs/dbraw/zinc/10/21/24/1420102124.db2.gz PMRVUYDVQRCRRY-HKUYNNGSSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@H]1C ZINC001715408816 1420105547 /nfs/dbraw/zinc/10/55/47/1420105547.db2.gz DSSLRRLQWDDIJQ-DNVCBOLYSA-N 2 0 340.471 3.049 10 0 EGAERP CC[C@H](C(=O)NCC1([NH2+]Cc2ccc(C3CCC3)cc2)CC1)[NH+](C)C ZINC001733247085 1429393308 /nfs/dbraw/zinc/39/33/08/1429393308.db2.gz HIVQEGRHVZFZQS-LJQANCHMSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001715464256 1420143837 /nfs/dbraw/zinc/14/38/37/1420143837.db2.gz YVTWFLKLQSXUCR-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001715503017 1420185717 /nfs/dbraw/zinc/18/57/17/1420185717.db2.gz DDMKMTHAANHVHG-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)CCC[NH+]1CCCCC1 ZINC001715537133 1420232556 /nfs/dbraw/zinc/23/25/56/1420232556.db2.gz OEIFVFDOOVKQBR-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CN(C(=O)C[NH+]3CCC(C)CC3)CC[C@H]21 ZINC001715543172 1420240724 /nfs/dbraw/zinc/24/07/24/1420240724.db2.gz AIUINCULCJWAKR-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H](CC[NH2+]CCC1CCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715688173 1420295096 /nfs/dbraw/zinc/29/50/96/1420295096.db2.gz WIRMALJVXDPUAQ-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1 ZINC001715911665 1420394212 /nfs/dbraw/zinc/39/42/12/1420394212.db2.gz JFKRKRFSLOGTEY-LIXSYLKWSA-N 2 0 343.515 3.194 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001715983977 1420443016 /nfs/dbraw/zinc/44/30/16/1420443016.db2.gz SELPAFQIAIEJEH-INIZCTEOSA-N 2 0 335.536 3.234 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CC2CCC2)C1 ZINC001716049508 1420513716 /nfs/dbraw/zinc/51/37/16/1420513716.db2.gz BSRHLSKXCZWUTI-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC2CC2)cc1 ZINC001716071060 1420527470 /nfs/dbraw/zinc/52/74/70/1420527470.db2.gz JJZGXULYWNRCGA-PMACEKPBSA-N 2 0 343.515 3.036 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716146422 1420541479 /nfs/dbraw/zinc/54/14/79/1420541479.db2.gz QZLPIQJPZKAURY-QFBILLFUSA-N 2 0 335.536 3.068 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001716255355 1420584955 /nfs/dbraw/zinc/58/49/55/1420584955.db2.gz PMVYISGDHUZGRP-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)N[C@@H](C)C[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001716465816 1420678877 /nfs/dbraw/zinc/67/88/77/1420678877.db2.gz KZEVMHHZZGHBBL-DLBZAZTESA-N 2 0 341.499 3.335 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716520588 1420748880 /nfs/dbraw/zinc/74/88/80/1420748880.db2.gz MSUANDNKVIRVTL-UXHICEINSA-N 2 0 349.563 3.482 10 0 EGAERP CN(CCC[NH2+]C[C@@H]1CC[C@@H]2C[C@@H]2C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716541693 1420755418 /nfs/dbraw/zinc/75/54/18/1420755418.db2.gz FBFAUNIABMBPRK-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1 ZINC001716571409 1420764517 /nfs/dbraw/zinc/76/45/17/1420764517.db2.gz ASVGXMOSZVEXLS-SFHVURJKSA-N 2 0 345.531 3.226 10 0 EGAERP O=C(N[C@@H](C[NH2+]CCCC1CCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001716614737 1420778978 /nfs/dbraw/zinc/77/89/78/1420778978.db2.gz CAJRKEJNGZVCPI-IBGZPJMESA-N 2 0 347.547 3.070 10 0 EGAERP CC[C@@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001716634698 1420792801 /nfs/dbraw/zinc/79/28/01/1420792801.db2.gz FEFZGGJZBRVVTE-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([C@@H]2CC[N@H+](CCC3CC3)C2)CC1 ZINC001716703645 1420857258 /nfs/dbraw/zinc/85/72/58/1420857258.db2.gz DMTVFICENHRDPT-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001716733199 1420891650 /nfs/dbraw/zinc/89/16/50/1420891650.db2.gz AZNIAILKHYXPAN-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001716733200 1420891933 /nfs/dbraw/zinc/89/19/33/1420891933.db2.gz AZNIAILKHYXPAN-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CCC[C@H]1C[NH2+]CCC1CC1 ZINC001716779861 1420918322 /nfs/dbraw/zinc/91/83/22/1420918322.db2.gz JAFXYBZEDYRFKT-SFHVURJKSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CCCC2)CC1 ZINC001716821247 1420947376 /nfs/dbraw/zinc/94/73/76/1420947376.db2.gz MSYMKENSDKNVBJ-LJQANCHMSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@]1(C[NH2+]CCCC2CCC2)CCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001716869419 1420997393 /nfs/dbraw/zinc/99/73/93/1420997393.db2.gz PXCSGJYQSUVPJD-FQEVSTJZSA-N 2 0 347.547 3.023 10 0 EGAERP Cc1cccc(C[NH2+]C[C@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001716880453 1421004826 /nfs/dbraw/zinc/00/48/26/1421004826.db2.gz NKWPGRLACNQRAZ-NRFANRHFSA-N 2 0 345.531 3.055 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001716886975 1421010365 /nfs/dbraw/zinc/01/03/65/1421010365.db2.gz VPSAXFBZFZKEDY-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001716893750 1421020288 /nfs/dbraw/zinc/02/02/88/1421020288.db2.gz BNLSOSNCAYXAOD-ICSRJNTNSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001716973491 1421058129 /nfs/dbraw/zinc/05/81/29/1421058129.db2.gz NOJSFOHQJIITPE-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001716986790 1421062145 /nfs/dbraw/zinc/06/21/45/1421062145.db2.gz XPOXILROXHYXMH-WMZOPIPTSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@H+](CC(=O)N1CC[C@@H](CC[NH2+]CCC2CCCCC2)C1)C1CCC1 ZINC001717088201 1421104732 /nfs/dbraw/zinc/10/47/32/1421104732.db2.gz QORQHQMUUZIBPU-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)CC1 ZINC001717096991 1421108461 /nfs/dbraw/zinc/10/84/61/1421108461.db2.gz MWVOQHCFZIACKG-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)C[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001717112747 1421116614 /nfs/dbraw/zinc/11/66/14/1421116614.db2.gz NHBLECAGCGKSGV-HXUWFJFHSA-N 2 0 345.531 3.263 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc([C@H](C)[NH2+]CCF)cc1 ZINC001717117076 1421121552 /nfs/dbraw/zinc/12/15/52/1421121552.db2.gz ZUXDIRUALPICFD-QFBILLFUSA-N 2 0 349.494 3.186 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001733287342 1429462122 /nfs/dbraw/zinc/46/21/22/1429462122.db2.gz DEZILUGQYQOWOY-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CCC1 ZINC001717159418 1421149005 /nfs/dbraw/zinc/14/90/05/1421149005.db2.gz ZJSDDKXDWYKDNH-XDXAGZTOSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717162696 1421153141 /nfs/dbraw/zinc/15/31/41/1421153141.db2.gz FKEDFRONMDGXMD-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP CCc1ccccc1C[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)C(C)C)CC1 ZINC001717202429 1421171039 /nfs/dbraw/zinc/17/10/39/1421171039.db2.gz RZYALZXXHCYQPJ-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@]2(C1)CCC[N@H+](CC1CCC1)C2)[NH+](CC)CC ZINC001733288209 1429465011 /nfs/dbraw/zinc/46/50/11/1429465011.db2.gz JMYPQENKJMMROD-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2ccc(C)cc2C)CC1 ZINC001717303296 1421244902 /nfs/dbraw/zinc/24/49/02/1421244902.db2.gz KLQUHSOQVOJMMK-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@H](C)C1 ZINC001717336889 1421274114 /nfs/dbraw/zinc/27/41/14/1421274114.db2.gz TYDZVSZHVGHRQT-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001733294862 1429476423 /nfs/dbraw/zinc/47/64/23/1429476423.db2.gz TYWBGEATUCZXNY-FPOVZHCZSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)c1 ZINC001717446799 1421376707 /nfs/dbraw/zinc/37/67/07/1421376707.db2.gz LFPYDFJWZQEYJT-KKXNLOMOSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CC(C)(C)C1 ZINC001717490031 1421428529 /nfs/dbraw/zinc/42/85/29/1421428529.db2.gz DNAAXRUVZVJMOV-SJLPKXTDSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H](C)n1ccnc1 ZINC001717540771 1421481014 /nfs/dbraw/zinc/48/10/14/1421481014.db2.gz SDFIRRGIPKQHOL-MSOLQXFVSA-N 2 0 334.508 3.241 10 0 EGAERP CC1(C)C[N@H+](CC2=CCCCC2)C[C@@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001717589902 1421518574 /nfs/dbraw/zinc/51/85/74/1421518574.db2.gz SZAJPMAHIIAZBR-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCC[NH+]3CCCCC3)C[C@@]2(C)C1 ZINC001717632356 1421542162 /nfs/dbraw/zinc/54/21/62/1421542162.db2.gz IBYFZMXGCZFRGI-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001717642895 1421546775 /nfs/dbraw/zinc/54/67/75/1421546775.db2.gz KSHOBDUSFZCXCK-LWYYNNOASA-N 2 0 347.547 3.068 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717643359 1421547178 /nfs/dbraw/zinc/54/71/78/1421547178.db2.gz XKHQSMSUVOJCMY-OJTDBYKOSA-N 2 0 347.547 3.093 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001717649718 1421550348 /nfs/dbraw/zinc/55/03/48/1421550348.db2.gz VNDITVXEHVWABC-BCEYDMKGSA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]C[C@@H](C)CC(C)C)C1 ZINC001717652671 1421551975 /nfs/dbraw/zinc/55/19/75/1421551975.db2.gz QRBRFPGGFKHFAC-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP CCc1cccc(C[N@H+](C)C2CCN(C(=O)C[NH+](C)C(C)C)CC2)c1 ZINC001717705452 1421580294 /nfs/dbraw/zinc/58/02/94/1421580294.db2.gz GGFWCPKTRAZEJJ-UHFFFAOYSA-N 2 0 345.531 3.012 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736139 1421600859 /nfs/dbraw/zinc/60/08/59/1421600859.db2.gz KUOXGHSHMVENGQ-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N(C)[C@H](C[NH2+]CCC2CCCCC2)C2CC2)C1 ZINC001717736142 1421600884 /nfs/dbraw/zinc/60/08/84/1421600884.db2.gz KUOXGHSHMVENGQ-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001717756435 1421619717 /nfs/dbraw/zinc/61/97/17/1421619717.db2.gz FLWMEBZVDZMDBV-CABCVRRESA-N 2 0 339.911 3.178 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001717839955 1421654766 /nfs/dbraw/zinc/65/47/66/1421654766.db2.gz DZKOFZLGRAVBJI-GHTZIAJQSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CC(C)(C)C1)CC2 ZINC001717839958 1421655084 /nfs/dbraw/zinc/65/50/84/1421655084.db2.gz DZKOFZLGRAVBJI-WIYYLYMNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001717842328 1421657404 /nfs/dbraw/zinc/65/74/04/1421657404.db2.gz XVHFJCSAWGNSBX-YLJYHZDGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)C(C)C ZINC001717950472 1421719439 /nfs/dbraw/zinc/71/94/39/1421719439.db2.gz UTWAZBDHLOPNIU-RBUKOAKNSA-N 2 0 335.536 3.138 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCCC2CCC2)C(C)(C)C)C1 ZINC001717970785 1421742917 /nfs/dbraw/zinc/74/29/17/1421742917.db2.gz BMAAYMOEMYXBSD-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](Cc2cccc(C)c2)CC1)[NH+](C)C ZINC001717983925 1421756176 /nfs/dbraw/zinc/75/61/76/1421756176.db2.gz QBNUJQQORYNGJT-FXAWDEMLSA-N 2 0 345.531 3.052 10 0 EGAERP CCCC[NH+]1CCC([C@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001717985057 1421757670 /nfs/dbraw/zinc/75/76/70/1421757670.db2.gz WMJJNOMRSRLTRS-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001733390572 1429579631 /nfs/dbraw/zinc/57/96/31/1429579631.db2.gz JSAGLYBFNLUOLO-UXHICEINSA-N 2 0 347.547 3.284 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CC(C)(C)C1 ZINC001733390725 1429580632 /nfs/dbraw/zinc/58/06/32/1429580632.db2.gz LAUOAUXMFFCGNH-MOPGFXCFSA-N 2 0 349.563 3.220 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@@]3(C2)CCCCN(C(=O)CCC[NH+](C)C)C3)C1 ZINC001733392053 1429582327 /nfs/dbraw/zinc/58/23/27/1429582327.db2.gz BLQMEINASRXTLL-GZNCHQMQSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@](C)(C[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001733427105 1429634678 /nfs/dbraw/zinc/63/46/78/1429634678.db2.gz YZWTYVNPSBLBSF-YFVAEKQCSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001733457436 1429676775 /nfs/dbraw/zinc/67/67/75/1429676775.db2.gz DKCLHMKQWNYWSA-ABDUDLSGSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@@]1(C)CCC[NH+](CC2CC2)C1 ZINC001733463033 1429691570 /nfs/dbraw/zinc/69/15/70/1429691570.db2.gz OQVQRIBVYSVNJC-OAQYLSRUSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1)c1ccc(F)cc1 ZINC001723202296 1424319965 /nfs/dbraw/zinc/31/99/65/1424319965.db2.gz AUKDXJCOXLSNOY-QGZVFWFLSA-N 2 0 349.494 3.201 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1CCCC1CCCC1)[NH+]1CCCCCC1 ZINC001723461772 1424420019 /nfs/dbraw/zinc/42/00/19/1424420019.db2.gz PNWTYTRJOHOQPN-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)C1CCCCCC1 ZINC001723639372 1424503021 /nfs/dbraw/zinc/50/30/21/1424503021.db2.gz DJRSLIMEIJIGMU-UHFFFAOYSA-N 2 0 337.552 3.412 10 0 EGAERP CC[C@H](C)C[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001723646773 1424510389 /nfs/dbraw/zinc/51/03/89/1424510389.db2.gz APMAZZFGWSPVEC-FXAWDEMLSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001724154153 1424695784 /nfs/dbraw/zinc/69/57/84/1424695784.db2.gz MEMQZAREXTYXST-KDCRJJDASA-N 2 0 335.536 3.186 10 0 EGAERP CCCCC[N@@H+]1CC[C@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724164277 1424700589 /nfs/dbraw/zinc/70/05/89/1424700589.db2.gz YQFWHSLDBOTWAY-IBGZPJMESA-N 2 0 328.460 3.027 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001724223613 1424742138 /nfs/dbraw/zinc/74/21/38/1424742138.db2.gz ALIBOKVHDLILHA-QRMWTIMZSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)(C)CCC[NH+]1CCC(C)(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001724301484 1424784480 /nfs/dbraw/zinc/78/44/80/1424784480.db2.gz BOROLTUMDTUDSG-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC1(C)CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001724307329 1424790014 /nfs/dbraw/zinc/79/00/14/1424790014.db2.gz ZJRNCOCAVZBLTL-GOSISDBHSA-N 2 0 345.531 3.306 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C)C1 ZINC001724313819 1424798917 /nfs/dbraw/zinc/79/89/17/1424798917.db2.gz PPHTWZWTNCJTOB-YKMDAGRBSA-N 2 0 335.536 3.045 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001724511822 1424888503 /nfs/dbraw/zinc/88/85/03/1424888503.db2.gz MCSYIGFYKHJLSR-VQTJNVASSA-N 2 0 345.531 3.279 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([C@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724556285 1424911407 /nfs/dbraw/zinc/91/14/07/1424911407.db2.gz XDDKVUQYEPEMLZ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CN(C(=O)C[NH+]2CCC(C)CC2)C[C@@H]1C ZINC001724598669 1424930376 /nfs/dbraw/zinc/93/03/76/1424930376.db2.gz ABFXABBGBUKWSR-RLWBPELLSA-N 2 0 349.563 3.149 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001724705170 1425062712 /nfs/dbraw/zinc/06/27/12/1425062712.db2.gz JFWXOXPXWUDJKI-OAHLLOKOSA-N 2 0 337.533 3.052 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001724708360 1425064732 /nfs/dbraw/zinc/06/47/32/1425064732.db2.gz OPENUHPPTNCJSW-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001724795956 1425163411 /nfs/dbraw/zinc/16/34/11/1425163411.db2.gz JDXKCGHEFQSVCO-DHJFXDNESA-N 2 0 347.547 3.378 10 0 EGAERP O=C(NCC1([NH2+]CC2=CCCCC2)CCC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001724797074 1425165351 /nfs/dbraw/zinc/16/53/51/1425165351.db2.gz PZURJRUIUQANDV-RTBURBONSA-N 2 0 345.531 3.132 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001724797945 1425166193 /nfs/dbraw/zinc/16/61/93/1425166193.db2.gz XJSJBCMLHUFPLK-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001724800581 1425169301 /nfs/dbraw/zinc/16/93/01/1425169301.db2.gz NXTROSVVPDITHE-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001724832220 1425178363 /nfs/dbraw/zinc/17/83/63/1425178363.db2.gz DHNUOIHZMFVFTI-ZRAQOITDSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001724835244 1425182252 /nfs/dbraw/zinc/18/22/52/1425182252.db2.gz PLUWQJDLUNQPJR-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCCN(C)C(=O)C[C@@H]2CC[NH+](C)C2)c1 ZINC001724858374 1425235931 /nfs/dbraw/zinc/23/59/31/1425235931.db2.gz UFGTZDJNVGODRU-MOPGFXCFSA-N 2 0 345.531 3.178 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCC[NH+]1CC(C)C ZINC001725041302 1425467356 /nfs/dbraw/zinc/46/73/56/1425467356.db2.gz JDZSXFKQWCLKTR-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([C@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001725054905 1425489112 /nfs/dbraw/zinc/48/91/12/1425489112.db2.gz BHHRUDIPOXLFIR-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725058401 1425497732 /nfs/dbraw/zinc/49/77/32/1425497732.db2.gz KKGAFVNBSTWPCU-YLJYHZDGSA-N 2 0 345.531 3.331 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CC1)[NH+]1CCCCC1 ZINC001725060463 1425500553 /nfs/dbraw/zinc/50/05/53/1425500553.db2.gz URNBMDRLCQMCKN-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725060436 1425500647 /nfs/dbraw/zinc/50/06/47/1425500647.db2.gz UEHSNNSPYKBVQC-HXUWFJFHSA-N 2 0 345.531 3.331 10 0 EGAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCC2CCCCCC2)C1)C1CCC1 ZINC001725063699 1425505132 /nfs/dbraw/zinc/50/51/32/1425505132.db2.gz NMBXPQRRQSHUFQ-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+]CC1CC(NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001725068893 1425509813 /nfs/dbraw/zinc/50/98/13/1425509813.db2.gz NTPBPNGQJNMVOO-AFMYVXGZSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725108532 1425561530 /nfs/dbraw/zinc/56/15/30/1425561530.db2.gz MPDMGDPZDSNNQA-IUQNVBDQSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@@H](NC(=O)CC[NH+]1CCCCC1)[C@@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001725131612 1425601140 /nfs/dbraw/zinc/60/11/40/1425601140.db2.gz VDISQUSUENAHQK-QZTJIDSGSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+](C)[C@@H](C)CNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001725167165 1425672378 /nfs/dbraw/zinc/67/23/78/1425672378.db2.gz USNUNTNUPHTKIO-ZWKOTPCHSA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001725171495 1425681613 /nfs/dbraw/zinc/68/16/13/1425681613.db2.gz IDMRBAJWQLTDFY-UYAOXDASSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001725179723 1425702552 /nfs/dbraw/zinc/70/25/52/1425702552.db2.gz JJNDIKLISTXETM-APWZRJJASA-N 2 0 343.531 3.072 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)[C@@H]2C[C@H]2c2c[nH]cn2)CCCCC1 ZINC001725225163 1425794405 /nfs/dbraw/zinc/79/44/05/1425794405.db2.gz YAFTUGWHCQUJJG-IAGOWNOFSA-N 2 0 346.519 3.358 10 0 EGAERP CCC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCCC1 ZINC001725229494 1425800173 /nfs/dbraw/zinc/80/01/73/1425800173.db2.gz MCEYCYFRADUBDX-UHFFFAOYSA-N 2 0 331.504 3.181 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC001725240596 1425843874 /nfs/dbraw/zinc/84/38/74/1425843874.db2.gz MUXFQOBPKVRAHW-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCCC[NH+]2CCCC2CCC2)C1 ZINC001725241318 1425847595 /nfs/dbraw/zinc/84/75/95/1425847595.db2.gz OMQBBZCAXIJSHA-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH+]1C[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001725282765 1425920013 /nfs/dbraw/zinc/92/00/13/1425920013.db2.gz FPJSLCADSLLZRU-OPDSQHBBSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC3CCCC3)C[C@H]2C1 ZINC001725340780 1425990431 /nfs/dbraw/zinc/99/04/31/1425990431.db2.gz ZBDMXCCRWCSYEZ-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001725420774 1426068930 /nfs/dbraw/zinc/06/89/30/1426068930.db2.gz PFMGHVSRMXNDGH-UHDDOPSISA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)=CC[N@@H+](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001725421820 1426073016 /nfs/dbraw/zinc/07/30/16/1426073016.db2.gz KHXIHXGDTZHYNE-UHFFFAOYSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001725478940 1426154057 /nfs/dbraw/zinc/15/40/57/1426154057.db2.gz FROAFLRVRHFVKO-QGZVFWFLSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@@H]2[N@H+](CCCC(C)(C)C)CC3)CC1 ZINC001725609971 1426267770 /nfs/dbraw/zinc/26/77/70/1426267770.db2.gz IXLARCOWNODVCR-LAUBAEHRSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]2C)c(C)c1 ZINC001725627402 1426294162 /nfs/dbraw/zinc/29/41/62/1426294162.db2.gz LDKCZPNGRRWUKF-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)C1(C[NH+](C)C)CC1 ZINC001725730155 1426399045 /nfs/dbraw/zinc/39/90/45/1426399045.db2.gz CCEXKDYNEXTBPH-SFHVURJKSA-N 2 0 345.531 3.258 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C2(NC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001725797358 1426481893 /nfs/dbraw/zinc/48/18/93/1426481893.db2.gz MOUFFVWQSXVKPK-PLNGDYQASA-N 2 0 347.547 3.189 10 0 EGAERP CCCCCC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001725829166 1426506495 /nfs/dbraw/zinc/50/64/95/1426506495.db2.gz IDTZJEFZUCRNBZ-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CCC1CCCCCC1 ZINC001731240423 1427196871 /nfs/dbraw/zinc/19/68/71/1427196871.db2.gz KLWQRPIZYUOIMX-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)[C@@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001731298714 1427241134 /nfs/dbraw/zinc/24/11/34/1427241134.db2.gz YTRYLXZMYJVWNC-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(NC[C@H]([NH2+]CCC1CC1)C1CC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731403378 1427364768 /nfs/dbraw/zinc/36/47/68/1427364768.db2.gz VEKNVGWQSNXNQR-VQTJNVASSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001731425529 1427406741 /nfs/dbraw/zinc/40/67/41/1427406741.db2.gz NXCDALCUIGOCPA-UXHICEINSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001731426766 1427407814 /nfs/dbraw/zinc/40/78/14/1427407814.db2.gz IKLFUSFPYBVHAU-HAGHYFMRSA-N 2 0 347.547 3.115 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001731446929 1427424732 /nfs/dbraw/zinc/42/47/32/1427424732.db2.gz MXTPLRJHNSDYCQ-KZNAEPCWSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC001731546603 1427563275 /nfs/dbraw/zinc/56/32/75/1427563275.db2.gz NPDNSGBCZIIHSV-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001731601690 1427645084 /nfs/dbraw/zinc/64/50/84/1427645084.db2.gz PCYGVXKQIITDQN-HNNXBMFYSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001731601693 1427645160 /nfs/dbraw/zinc/64/51/60/1427645160.db2.gz PCYGVXKQIITDQN-OAHLLOKOSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001731604798 1427649344 /nfs/dbraw/zinc/64/93/44/1427649344.db2.gz WUSVNLCYRIOGCQ-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001731617526 1427665377 /nfs/dbraw/zinc/66/53/77/1427665377.db2.gz RSLYVBXVNRCYGK-HKUYNNGSSA-N 2 0 335.536 3.093 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001731701138 1427753109 /nfs/dbraw/zinc/75/31/09/1427753109.db2.gz UOVYTZPBWBNESF-MOPGFXCFSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001731702066 1427754237 /nfs/dbraw/zinc/75/42/37/1427754237.db2.gz KCZDOOYTUUWTBB-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001731710402 1427767165 /nfs/dbraw/zinc/76/71/65/1427767165.db2.gz LENMXHOWJXYTDF-IBGZPJMESA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731713398 1427774283 /nfs/dbraw/zinc/77/42/83/1427774283.db2.gz MTJRMGISCSJHMO-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001731750342 1427845100 /nfs/dbraw/zinc/84/51/00/1427845100.db2.gz GWNLICYGORYQCV-IEBWSBKVSA-N 2 0 335.536 3.164 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1CCCNC(=O)[C@@]12CC[NH+](C1)CCC2 ZINC001731758155 1427861122 /nfs/dbraw/zinc/86/11/22/1427861122.db2.gz JYEANASUOLTJFF-ICSRJNTNSA-N 2 0 335.536 3.023 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001731860542 1428099706 /nfs/dbraw/zinc/09/97/06/1428099706.db2.gz LULAOZWZCURVRU-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001733605532 1429816973 /nfs/dbraw/zinc/81/69/73/1429816973.db2.gz DJXIBZHKDPHZQQ-MOPGFXCFSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCCC3)C2)C1 ZINC001733676124 1429871174 /nfs/dbraw/zinc/87/11/74/1429871174.db2.gz GVQPHJSRVHQVNF-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](CC[NH2+]CC2CCCCC2)C1 ZINC001733677207 1429874030 /nfs/dbraw/zinc/87/40/30/1429874030.db2.gz QGRWRACLNBXRTL-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)=CC[NH+](C)Cc1ccccc1CNC(=O)C[N@@H+](C)C(C)C ZINC001733681052 1429888820 /nfs/dbraw/zinc/88/88/20/1429888820.db2.gz SRWWTTANERWLEK-UHFFFAOYSA-N 2 0 331.504 3.041 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+]CC2=CCCCC2)CCC1)[NH+]1CCCC1 ZINC001733728208 1429957585 /nfs/dbraw/zinc/95/75/85/1429957585.db2.gz NBMVYUCNIRZKCQ-LJQANCHMSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)C[NH2+]C1(C)CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001733862488 1437691711 /nfs/dbraw/zinc/69/17/11/1437691711.db2.gz CLVMYLISARWXTA-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C(C)(C)C1 ZINC001733877297 1437704740 /nfs/dbraw/zinc/70/47/40/1437704740.db2.gz CHZCFBUIZTTWIN-RBUKOAKNSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001733901058 1437719198 /nfs/dbraw/zinc/71/91/98/1437719198.db2.gz MQSTYCNHDJGEPQ-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC2(CC1)CC[NH+](CC1CCCC1)CC2 ZINC001733910824 1437729142 /nfs/dbraw/zinc/72/91/42/1437729142.db2.gz CMEYEMWBEJKCOF-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001733999115 1437792323 /nfs/dbraw/zinc/79/23/23/1437792323.db2.gz SJKWJXZNOYQYMT-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001734088699 1437873675 /nfs/dbraw/zinc/87/36/75/1437873675.db2.gz RLAKJRUITCWTTI-GOSISDBHSA-N 2 0 337.552 3.314 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001734088892 1437874013 /nfs/dbraw/zinc/87/40/13/1437874013.db2.gz ZVAXPVOJFSYXGO-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC2(C[NH2+]CC3CCC3)CCCCC2)CC1 ZINC001734092374 1437876612 /nfs/dbraw/zinc/87/66/12/1437876612.db2.gz ZHGZMQASIUXLCF-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734106183 1437892853 /nfs/dbraw/zinc/89/28/53/1437892853.db2.gz LPMXJTHESICKQC-MNVMYWNISA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001734194743 1437935989 /nfs/dbraw/zinc/93/59/89/1437935989.db2.gz VIZMRRPHMBPRPQ-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001734288501 1438017793 /nfs/dbraw/zinc/01/77/93/1438017793.db2.gz PGAKNTVIAGIYCY-RTBURBONSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001734346327 1438065249 /nfs/dbraw/zinc/06/52/49/1438065249.db2.gz UMYRCELUBCAYPD-UYAOXDASSA-N 2 0 347.547 3.135 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCC2=CCCCC2)CCN1C(=O)CCCC[NH+](C)C ZINC001734404692 1438084013 /nfs/dbraw/zinc/08/40/13/1438084013.db2.gz SFCKQDPSEMUOHK-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@@H]1C ZINC001734403761 1438084083 /nfs/dbraw/zinc/08/40/83/1438084083.db2.gz IBJLHYOALXTXGY-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001734487885 1438129434 /nfs/dbraw/zinc/12/94/34/1438129434.db2.gz OQLALJKZZMSKQX-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)(C)C ZINC001734577113 1438169670 /nfs/dbraw/zinc/16/96/70/1438169670.db2.gz UQXKTSQVWVWVCH-LJQANCHMSA-N 2 0 345.531 3.020 10 0 EGAERP C[C@@H](C(=O)N(C)C1CC([NH2+]CCC(C)(C)C)C1)[NH+]1CCCCCC1 ZINC001734600982 1438182860 /nfs/dbraw/zinc/18/28/60/1438182860.db2.gz UPVLSXKFQUYXPA-AOCRQIFASA-N 2 0 337.552 3.266 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC1(C2CC[NH+](CC3CC3)CC2)CC1 ZINC001734603388 1438184450 /nfs/dbraw/zinc/18/44/50/1438184450.db2.gz BUPNGFRKIXGTOV-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)CCC[NH+]1CCC(C2(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001734604065 1438184644 /nfs/dbraw/zinc/18/46/44/1438184644.db2.gz MZANTBCGHYMKSC-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)C1CC[NH+](CC2CC(C)(C)C2)CC1 ZINC001734614650 1438187494 /nfs/dbraw/zinc/18/74/94/1438187494.db2.gz XAKYDUMTNJYBEN-MRXNPFEDSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001734626641 1438191488 /nfs/dbraw/zinc/19/14/88/1438191488.db2.gz GXDFWUWCWBJIRJ-VOTSOKGWSA-N 2 0 347.547 3.356 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1)c1ccccc1 ZINC001750946321 1440118633 /nfs/dbraw/zinc/11/86/33/1440118633.db2.gz ZYOKORRTLSDDFM-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)CN(CC[NH+](C)C)[C@@H](C[NH3+])c1ccc(Br)s1 ZINC000042744646 213529550 /nfs/dbraw/zinc/52/95/50/213529550.db2.gz OFKOWJYRVOBJOR-LBPRGKRZSA-N 2 0 348.354 3.030 10 0 EGAERP C[C@@H](c1nc2ccccc2s1)[C@H](C)[NH2+]C[C@H](O)C[NH+]1CCCCC1 ZINC000151296192 223804911 /nfs/dbraw/zinc/80/49/11/223804911.db2.gz XJOKJENRMVASFD-PMPSAXMXSA-N 2 0 347.528 3.225 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@H]1CCc2nc[nH]c2C1 ZINC000377724022 169068809 /nfs/dbraw/zinc/06/88/09/169068809.db2.gz OBSXIIIFZWUSKT-KRWDZBQOSA-N 3 0 326.488 3.015 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@H]1[NH2+]CCC1CC[NH+](C)CC1 ZINC000268823462 252274308 /nfs/dbraw/zinc/27/43/08/252274308.db2.gz AOBUYNCNLVJGMR-WIYYLYMNSA-N 2 0 329.532 3.219 10 0 EGAERP C[C@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268809742 252260899 /nfs/dbraw/zinc/26/08/99/252260899.db2.gz APHKQWRSUOCPMH-MRXNPFEDSA-N 2 0 329.488 3.035 10 0 EGAERP C[C@@H]([NH2+]C1CC[NH+](C2CCC2)CC1)c1ccc(N2CCOC2=O)cc1 ZINC000268808428 252261484 /nfs/dbraw/zinc/26/14/84/252261484.db2.gz AIAYWZBHTROMKY-OAHLLOKOSA-N 2 0 343.471 3.311 10 0 EGAERP c1cn(-c2ccc(C[N@@H+]3CC[C@@H]4[C@@H](CCC[NH+]4C4CC4)C3)cc2)cn1 ZINC000246863430 141039923 /nfs/dbraw/zinc/03/99/23/141039923.db2.gz PQXPCBIWDXUCBH-GHTZIAJQSA-N 2 0 336.483 3.321 10 0 EGAERP CC(C)COc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000121101669 152326058 /nfs/dbraw/zinc/32/60/58/152326058.db2.gz FODVCNXFRGYHLT-SFHVURJKSA-N 2 0 348.531 3.246 10 0 EGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CC[C@H](Oc2cccnc2)C1 ZINC000192078660 153240023 /nfs/dbraw/zinc/24/00/23/153240023.db2.gz OPMAESJVVZWFJR-FQEVSTJZSA-N 2 0 334.423 3.229 10 0 EGAERP c1csc(-c2noc(CCC[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)n2)c1 ZINC000324949951 154176503 /nfs/dbraw/zinc/17/65/03/154176503.db2.gz GPXRHLRPQZMQDU-HNNXBMFYSA-N 2 0 346.500 3.195 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)cc1 ZINC000372765978 157379115 /nfs/dbraw/zinc/37/91/15/157379115.db2.gz KGQGDRFAPFSQMG-HMXCVIKNSA-N 2 0 346.515 3.312 10 0 EGAERP Fc1ccc(-c2noc(CCC[NH2+][C@H]3CC[N@@H+]4CCC[C@H]4C3)n2)cc1 ZINC000248453775 163006652 /nfs/dbraw/zinc/00/66/52/163006652.db2.gz HAWHQSZAYOCAJI-IRXDYDNUSA-N 2 0 344.434 3.025 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCO[C@@H](C2CC2)C1)c1cccc(OCC[NH+](C)C)c1 ZINC000248757657 163033435 /nfs/dbraw/zinc/03/34/35/163033435.db2.gz GHTDDUBFGSAVHU-QKYXUNIQSA-N 2 0 332.488 3.235 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1c[nH]c2ccccc12 ZINC000344152713 164115314 /nfs/dbraw/zinc/11/53/14/164115314.db2.gz IAOUAPVRSOMNLG-UHFFFAOYSA-N 2 0 331.423 3.389 10 0 EGAERP c1c2c(nn1-c1ccccc1)CCC[C@H]2[NH2+]C[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358942184 167014423 /nfs/dbraw/zinc/01/44/23/167014423.db2.gz MVIKVIFCAKJCET-OXQOHEQNSA-N 2 0 336.483 3.324 10 0 EGAERP CC[C@H](C)[NH2+][C@@H](CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccco1 ZINC000359566552 167195004 /nfs/dbraw/zinc/19/50/04/167195004.db2.gz WAXVDHWHOYAIDN-ULQDDVLXSA-N 2 0 335.492 3.090 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCCOCCc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000367600697 168247856 /nfs/dbraw/zinc/24/78/56/168247856.db2.gz ZIRSUFSYBARSLR-HKBOAZHASA-N 2 0 330.516 3.488 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]C[C@@H](C)C[NH+]2CCCC2)cc1NC(C)=O ZINC000165320553 226119485 /nfs/dbraw/zinc/11/94/85/226119485.db2.gz ZVPSZWMHDFNCND-HUUCEWRRSA-N 2 0 333.476 3.036 10 0 EGAERP C[C@@H]1C[N@H+](C[C@H](O)CN2CCc3ccccc3C2)[C@@H]1c1ccccc1 ZINC000177072218 265227189 /nfs/dbraw/zinc/22/71/89/265227189.db2.gz HELJFRVZOUUUFE-YHYVQYDKSA-N 2 0 336.479 3.099 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccc(Cl)cc2F)CC1 ZINC000189010265 278395429 /nfs/dbraw/zinc/39/54/29/278395429.db2.gz FLFBSJIOOQIIQS-CYBMUJFWSA-N 2 0 328.859 3.004 10 0 EGAERP CCN(C(=O)C[NH+](CC)CC)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000337643840 279086570 /nfs/dbraw/zinc/08/65/70/279086570.db2.gz GPVJZGAKOPMSIF-IEBWSBKVSA-N 2 0 331.504 3.012 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@@H](C)C3)c2c1 ZINC000354577737 281170380 /nfs/dbraw/zinc/17/03/80/281170380.db2.gz XYYGBTBDEXLDHV-PXNSSMCTSA-N 2 0 338.499 3.005 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000247132867 290033439 /nfs/dbraw/zinc/03/34/39/290033439.db2.gz ATPNGKRSWNQNQJ-JEDBISTDSA-N 2 0 332.488 3.091 10 0 EGAERP c1ccc2c(c1)CCCN2CC[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000090517663 307460190 /nfs/dbraw/zinc/46/01/90/307460190.db2.gz GPBYUNLVEVZKNJ-UHFFFAOYSA-N 2 0 327.516 3.247 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)cn1 ZINC000414069601 309058957 /nfs/dbraw/zinc/05/89/57/309058957.db2.gz RVMQFCUWCYGHDL-QGZVFWFLSA-N 2 0 339.483 3.407 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@H]2CCC[C@@H](CO)C2)CC1 ZINC000414330061 309073329 /nfs/dbraw/zinc/07/33/29/309073329.db2.gz DMVYXKYZWWLHFE-QFUCXCTJSA-N 2 0 330.516 3.223 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H]([NH2+]C[C@H]2CCCN(C(=O)OC(C)(C)C)C2)C1 ZINC000246378861 307973698 /nfs/dbraw/zinc/97/36/98/307973698.db2.gz BLITXHXPZARUEY-IXDOHACOSA-N 2 0 339.524 3.096 10 0 EGAERP COc1ccc(F)c(C[NH2+]Cc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000293637391 308148434 /nfs/dbraw/zinc/14/84/34/308148434.db2.gz RLTHCWUPBILLPB-UHFFFAOYSA-N 2 0 332.419 3.065 10 0 EGAERP CC(C)[C@H]1C[C@@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414523043 309086364 /nfs/dbraw/zinc/08/63/64/309086364.db2.gz HRGZGBKCCKECEU-RTBURBONSA-N 2 0 348.556 3.133 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC000297564650 308546165 /nfs/dbraw/zinc/54/61/65/308546165.db2.gz QTHXLQUJZJBDQM-AWEZNQCLSA-N 2 0 325.412 3.072 10 0 EGAERP COc1cc(C[NH2+]CC[C@@H]2CC[NH2+]C2)ccc1OCc1ccccc1 ZINC000414825906 309103936 /nfs/dbraw/zinc/10/39/36/309103936.db2.gz DHBWWLJHVODMDQ-KRWDZBQOSA-N 2 0 340.467 3.363 10 0 EGAERP FC(F)Oc1c(Br)cccc1C[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414827118 309104135 /nfs/dbraw/zinc/10/41/35/309104135.db2.gz GOLDCQYAFIEVGN-JTQLQIEISA-N 2 0 349.219 3.140 10 0 EGAERP CCCc1cc(N2CC[NH+]([C@@H](CC)CO)CC2)c2ccccc2[nH+]1 ZINC000301804465 308716010 /nfs/dbraw/zinc/71/60/10/308716010.db2.gz UVTCPDHXMFCKKP-KRWDZBQOSA-N 2 0 327.472 3.080 10 0 EGAERP C[C@H]1CCCC[C@H]1[NH+]1CCC(NCCC[NH2+]Cc2cccnc2)CC1 ZINC000414884157 309107097 /nfs/dbraw/zinc/10/70/97/309107097.db2.gz USRXQGHQDLWODW-GHTZIAJQSA-N 2 0 344.547 3.194 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414930377 309109769 /nfs/dbraw/zinc/10/97/69/309109769.db2.gz ASPVKCAODISQOH-FIXISWKDSA-N 2 0 329.257 3.107 10 0 EGAERP Fc1cccc(Cl)c1CN1CCC([NH2+][C@H]2CCCC[NH2+]C2)CC1 ZINC000415071986 309118230 /nfs/dbraw/zinc/11/82/30/309118230.db2.gz UZRSKKDOYOCVPS-HNNXBMFYSA-N 2 0 339.886 3.175 10 0 EGAERP CC(C)C[C@H]([NH3+])C[NH2+]CC1(c2ccccc2Br)CC1 ZINC000415090578 309119646 /nfs/dbraw/zinc/11/96/46/309119646.db2.gz YBPYWOLVOABXHC-ZDUSSCGKSA-N 2 0 325.294 3.444 10 0 EGAERP C[C@H]1C[C@H](C)C[NH+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415988490 309153181 /nfs/dbraw/zinc/15/31/81/309153181.db2.gz CXARDEQSGWEGFL-HOTGVXAUSA-N 2 0 344.503 3.169 10 0 EGAERP CC[C@@H](C)[NH2+][C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)c1ccco1 ZINC000416021741 309155054 /nfs/dbraw/zinc/15/50/54/309155054.db2.gz YYLKUPPDSHMDBC-CXAGYDPISA-N 2 0 342.443 3.134 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCC(C)(C)[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000417240926 309198679 /nfs/dbraw/zinc/19/86/79/309198679.db2.gz QNXHMLPOWWJSEO-JKSUJKDBSA-N 2 0 346.519 3.016 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418443512 309246327 /nfs/dbraw/zinc/24/63/27/309246327.db2.gz AKGCDHYDPWHLEX-QGZVFWFLSA-N 2 0 348.535 3.216 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422711758 309364533 /nfs/dbraw/zinc/36/45/33/309364533.db2.gz GECJQKMPFFVVKJ-AWEZNQCLSA-N 2 0 343.471 3.149 10 0 EGAERP Fc1cc(F)cc(CC[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)c1 ZINC000422839656 309371402 /nfs/dbraw/zinc/37/14/02/309371402.db2.gz ABIVLOGECFKAFM-QUCCMNQESA-N 2 0 344.405 3.353 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422871428 309373087 /nfs/dbraw/zinc/37/30/87/309373087.db2.gz YUUZRAJNDUPBKB-OSGQAZFXSA-N 2 0 349.469 3.444 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)c1ccccc1-n1cccn1 ZINC000422886476 309374201 /nfs/dbraw/zinc/37/42/01/309374201.db2.gz JDRAIYJRNLUJEH-GOEBONIOSA-N 2 0 335.455 3.446 10 0 EGAERP Cc1nc(CC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)sc1C ZINC000422887564 309374323 /nfs/dbraw/zinc/37/43/23/309374323.db2.gz BGJWQZWXRZZGBN-QFBILLFUSA-N 2 0 343.496 3.148 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000422901437 309375213 /nfs/dbraw/zinc/37/52/13/309375213.db2.gz CAGYNNQMIJPTDZ-ZMWHVPEISA-N 2 0 327.516 3.160 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(NC3CCC(C[NH3+])CC3)c2)C[C@@H](C)O1 ZINC000422955743 309378081 /nfs/dbraw/zinc/37/80/81/309378081.db2.gz NFNYRHXAQKZONS-HNXFYBAISA-N 2 0 331.504 3.225 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000422973010 309379061 /nfs/dbraw/zinc/37/90/61/309379061.db2.gz AWTHRVZFZJZNQZ-YZGWKJHDSA-N 2 0 332.488 3.019 10 0 EGAERP CN1CC[C@H](N[C@@H]2C[C@H]([NH3+])c3ccccc32)[C@H]1c1ccc(F)c(F)c1 ZINC000423021080 309381309 /nfs/dbraw/zinc/38/13/09/309381309.db2.gz DGWOPURFFYKFPM-VNTMZGSJSA-N 2 0 343.421 3.444 10 0 EGAERP FC(F)Oc1cc(C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)ccn1 ZINC000423110095 309386460 /nfs/dbraw/zinc/38/64/60/309386460.db2.gz ULUPBSAJWKQPCC-QLFBSQMISA-N 2 0 325.403 3.083 10 0 EGAERP C[C@H](CCCC[NH3+])[NH2+][C@H]1CCOc2c(Br)cccc21 ZINC000423116892 309386779 /nfs/dbraw/zinc/38/67/79/309386779.db2.gz RZLUDMKGXDWXJR-RISCZKNCSA-N 2 0 327.266 3.380 10 0 EGAERP C[C@H]([NH2+]CCC[NH3+])c1ccc(Br)cc1C(F)(F)F ZINC000423196559 309390123 /nfs/dbraw/zinc/39/01/23/309390123.db2.gz VOKJAMCOPSCAPM-QMMMGPOBSA-N 2 0 325.172 3.467 10 0 EGAERP C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000423222034 309391214 /nfs/dbraw/zinc/39/12/14/309391214.db2.gz ZHHCWZLLMOOVTF-DARKYYSBSA-N 2 0 327.516 3.160 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CCCC[C@H]2C[NH3+])CC1 ZINC000423273763 309393561 /nfs/dbraw/zinc/39/35/61/309393561.db2.gz JIETVGHJNYTDBY-LMNJBCLMSA-N 2 0 329.532 3.189 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1=CC[NH2+]CC1 ZINC000423344451 309396130 /nfs/dbraw/zinc/39/61/30/309396130.db2.gz MVPGUBYIGAKXJB-LLVKDONJSA-N 2 0 327.241 3.029 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]C[C@@H](N2CC[NH2+]CC2)C(F)(F)F)c2sccc21 ZINC000423400342 309398654 /nfs/dbraw/zinc/39/86/54/309398654.db2.gz VBJDDRMOGVXLAW-KWCYVHTRSA-N 2 0 347.450 3.112 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+][C@@H]1CCc2c1ccc(F)c2Br ZINC000423407763 309398958 /nfs/dbraw/zinc/39/89/58/309398958.db2.gz WJPFAWDJCVVQMQ-OWYVNGRQSA-N 2 0 327.241 3.163 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@@H](C[NH3+])C2CCCC2)CC1 ZINC000423495673 309403038 /nfs/dbraw/zinc/40/30/38/309403038.db2.gz CKHKMIZAKXNOLW-UWJYYQICSA-N 2 0 329.532 3.189 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(CC(F)F)C2)CC1 ZINC000425364717 309476447 /nfs/dbraw/zinc/47/64/47/309476447.db2.gz HFZYTVUXOUPWOV-UHFFFAOYSA-N 2 0 337.458 3.306 10 0 EGAERP CC[C@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+](CC)CC ZINC000447722217 309986690 /nfs/dbraw/zinc/98/66/90/309986690.db2.gz IWIBAUJCKSAFIS-IAGOWNOFSA-N 2 0 333.476 3.131 10 0 EGAERP CC(=O)N1CCC([NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449059153 310033658 /nfs/dbraw/zinc/03/36/58/310033658.db2.gz ARQHQHISIOPNHM-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@H](Cc1ccoc1)[NH2+]CCCN1CC[N@H+](C)C[C@@H]1c1ccccc1 ZINC000449073022 310034994 /nfs/dbraw/zinc/03/49/94/310034994.db2.gz HEYPQIZGUXDJEK-WIYYLYMNSA-N 2 0 341.499 3.179 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449075472 310035115 /nfs/dbraw/zinc/03/51/15/310035115.db2.gz RGTMVFDAEBWKQU-RTBURBONSA-N 2 0 331.548 3.402 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CCC[C@H](C)C2)CC1 ZINC000449084875 310035775 /nfs/dbraw/zinc/03/57/75/310035775.db2.gz ZKDAETUJLGYCSG-VQTJNVASSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[N@@H+]3CCC[C@@H]3C2)CC1 ZINC000449086151 310036048 /nfs/dbraw/zinc/03/60/48/310036048.db2.gz BAOHKEHNLCOMJX-BVYCBKJFSA-N 2 0 341.543 3.298 10 0 EGAERP CC[NH+](CC)C[C@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449132318 310039212 /nfs/dbraw/zinc/03/92/12/310039212.db2.gz UDCHEQRPIOLXRT-RBUKOAKNSA-N 2 0 331.548 3.402 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CC[C@@H](c2ccc(Cl)cc2)C1)N1CC[NH+](C)CC1 ZINC000449137862 310039533 /nfs/dbraw/zinc/03/95/33/310039533.db2.gz YWKCEUGYCOVHMG-SZVBFZGTSA-N 2 0 335.923 3.202 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@H](O)C2)CC1 ZINC000449165451 310041561 /nfs/dbraw/zinc/04/15/61/310041561.db2.gz WCYLNPFHVKKCAX-LMNJBCLMSA-N 2 0 330.516 3.223 10 0 EGAERP CCC(CC)(CO)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449216556 310045269 /nfs/dbraw/zinc/04/52/69/310045269.db2.gz SZWVOPJZXQQVOS-GOSISDBHSA-N 2 0 332.532 3.470 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(NCCC[NH+]2CCCC2)CC1 ZINC000449217655 310045441 /nfs/dbraw/zinc/04/54/41/310045441.db2.gz ATUUKJSUKIHCSB-LJQANCHMSA-N 2 0 329.532 3.158 10 0 EGAERP CC[NH+](CC)CCCNC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449222970 310045761 /nfs/dbraw/zinc/04/57/61/310045761.db2.gz XKOHSIBHTDHWKK-LJQANCHMSA-N 2 0 331.548 3.404 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](CC(C)C)CN1CCCC1 ZINC000449382377 310057905 /nfs/dbraw/zinc/05/79/05/310057905.db2.gz CIMAWTAQRYMUHV-IBGZPJMESA-N 2 0 341.503 3.176 10 0 EGAERP COC(=O)[C@@H]1CCCC[C@@H]1[NH2+][C@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000449512725 310068252 /nfs/dbraw/zinc/06/82/52/310068252.db2.gz QBHZESOBCSBYOI-AFYVEPGGSA-N 2 0 344.499 3.218 10 0 EGAERP COC1([C@H](C)[NH2+]Cc2ccccc2C[N@H+](C)C(C)C)CCOCC1 ZINC000453059186 310255231 /nfs/dbraw/zinc/25/52/31/310255231.db2.gz LWSFHDUNNAILIE-KRWDZBQOSA-N 2 0 334.504 3.201 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000453092386 310257442 /nfs/dbraw/zinc/25/74/42/310257442.db2.gz RALYHHYOGZQDIH-PWRODBHTSA-N 3 0 329.532 3.361 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@@H]2CCO[C@H](C(C)C)C2)[C@@H](C)C1 ZINC000453325039 310271065 /nfs/dbraw/zinc/27/10/65/310271065.db2.gz WKSTVZOWOHHXNU-YRPNKDGESA-N 2 0 340.552 3.164 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[NH+](CC)CC ZINC000469056938 310698719 /nfs/dbraw/zinc/69/87/19/310698719.db2.gz UUXAUBXRCXIAME-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)c1ccc(CC[NH2+]Cc2ccnc(OCC[NH+](C)C)c2)cc1 ZINC000470305926 310721079 /nfs/dbraw/zinc/72/10/79/310721079.db2.gz CQJRXWLYODMELM-UHFFFAOYSA-N 2 0 341.499 3.478 10 0 EGAERP Cc1cncn1CC(=O)Nc1ccc(C[N@H+]2CCC[C@H](C)C2)cc1 ZINC000528025759 313002460 /nfs/dbraw/zinc/00/24/60/313002460.db2.gz BIOVKSMEFASIIH-HNNXBMFYSA-N 2 0 326.444 3.062 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc(F)c(F)c1 ZINC000530325293 313519065 /nfs/dbraw/zinc/51/90/65/313519065.db2.gz OKHVNEXIPREZFT-UHFFFAOYSA-N 2 0 328.366 3.186 10 0 EGAERP C[C@H](c1cccc(F)c1)N1CCN(CC[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000537682502 314202535 /nfs/dbraw/zinc/20/25/35/314202535.db2.gz VQWXHSKPNDWYNM-XLIONFOSSA-N 2 0 333.495 3.379 10 0 EGAERP Cc1cc(NC[C@H]2CCC[N@@H+](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000538086562 314226296 /nfs/dbraw/zinc/22/62/96/314226296.db2.gz LOQOXUWTVJJWKA-CYBMUJFWSA-N 2 0 335.398 3.320 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cc3c(cc2OC)C[C@H](C)O3)[C@H](C)C1 ZINC000539838233 314344184 /nfs/dbraw/zinc/34/41/84/314344184.db2.gz JHZYPOSOOVNTIV-VKJFTORMSA-N 2 0 332.488 3.181 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CC[NH+]1CCCN(c2ccc(F)c(F)c2)CC1 ZINC000551738491 315165995 /nfs/dbraw/zinc/16/59/95/315165995.db2.gz JMDSZPHWXOEOPD-INIZCTEOSA-N 2 0 337.458 3.351 10 0 EGAERP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)c1 ZINC000552040960 315191810 /nfs/dbraw/zinc/19/18/10/315191810.db2.gz PHNTXZQNGJDZEL-GUDVDZBRSA-N 2 0 329.488 3.388 10 0 EGAERP COc1ccccc1OC[C@H](C)C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21 ZINC000552275319 315210605 /nfs/dbraw/zinc/21/06/05/315210605.db2.gz RPFJMOWYNQLLDF-BRSBDYLESA-N 2 0 332.488 3.173 10 0 EGAERP C[C@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](c2ccc(F)cc2)O1 ZINC000565093690 316264019 /nfs/dbraw/zinc/26/40/19/316264019.db2.gz OQYHYMWWEQEVSL-YCRPNKLZSA-N 2 0 340.442 3.433 10 0 EGAERP Brc1ccc2c(ccnc2NC[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000565761729 316366010 /nfs/dbraw/zinc/36/60/10/316366010.db2.gz ACFQVFMBDBKBRW-GFCCVEGCSA-N 2 0 346.272 3.315 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1cc(F)c(F)c(F)c1 ZINC000569940868 316986918 /nfs/dbraw/zinc/98/69/18/316986918.db2.gz IYBIOPXDJIMBTO-VLWCASSMSA-N 2 0 341.421 3.099 10 0 EGAERP C[C@@H]1COCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000572119952 317294066 /nfs/dbraw/zinc/29/40/66/317294066.db2.gz DFBXTCMCUWMUSH-RLLQIKCJSA-N 2 0 328.500 3.446 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NC[C@H]3CC[NH+](C4CC4)C3)CC23CC3)cc1 ZINC000572521333 317351050 /nfs/dbraw/zinc/35/10/50/317351050.db2.gz FMNAKSOQLDEWEL-UXHICEINSA-N 2 0 339.527 3.258 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000573858823 317535694 /nfs/dbraw/zinc/53/56/94/317535694.db2.gz CALDYNRJZOABDU-INIZCTEOSA-N 2 0 339.483 3.047 10 0 EGAERP C[C@H]([NH2+][C@@H](CO)c1ccsc1)c1cccc(OCC[NH+](C)C)c1 ZINC000349429014 324025803 /nfs/dbraw/zinc/02/58/03/324025803.db2.gz POQQVJZTPLKFJO-KSSFIOAISA-N 2 0 334.485 3.073 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000575195074 324436614 /nfs/dbraw/zinc/43/66/14/324436614.db2.gz ASSVTGVHCQBHRF-IHETXDGRSA-N 2 0 339.886 3.474 10 0 EGAERP [NH3+][C@@H]1CCCCCN(CCC(=O)Nc2ccc(Cl)cc2F)C1 ZINC000631832432 460575975 /nfs/dbraw/zinc/57/59/75/460575975.db2.gz FVTOQUGHZQMRKP-CYBMUJFWSA-N 2 0 327.831 3.011 10 0 EGAERP CCOC(=O)[C@H](c1ccccc1)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000245570120 455333085 /nfs/dbraw/zinc/33/30/85/455333085.db2.gz GLQONWXDUZYGPY-SZMVWBNQSA-N 2 0 327.428 3.070 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507066 460587146 /nfs/dbraw/zinc/58/71/46/460587146.db2.gz WFPHUQSRVJDQQZ-RTBURBONSA-N 2 0 347.572 3.066 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH+](C)C)c1ccc(Cl)c(Cl)c1)[NH+](C)C ZINC000628969736 460598646 /nfs/dbraw/zinc/59/86/46/460598646.db2.gz XQIAYHLBANUFJO-HUUCEWRRSA-N 2 0 346.302 3.053 10 0 EGAERP CC[NH+](CC)CCN(C(=O)C[NH+](CC)CC)c1c(C)cccc1C ZINC000027648292 453819672 /nfs/dbraw/zinc/81/96/72/453819672.db2.gz GPNGILJFGIXWPS-UHFFFAOYSA-N 2 0 333.520 3.320 10 0 EGAERP NC(=[NH2+])c1ccccc1Oc1cccc(Oc2ccccc2C(N)=[NH2+])n1 ZINC000029411318 453828815 /nfs/dbraw/zinc/82/88/15/453828815.db2.gz GFJGYFOGZBPJMD-UHFFFAOYSA-N 2 0 347.378 3.234 10 0 EGAERP O[C@@H](C[NH+]1CCC(C[NH2+]Cc2cccs2)CC1)c1ccccc1 ZINC000069490852 454112047 /nfs/dbraw/zinc/11/20/47/454112047.db2.gz YIAQGWZOAJXRHG-IBGZPJMESA-N 2 0 330.497 3.283 10 0 EGAERP CC[NH+](CC)CC1CC[NH+]([C@H](C(=O)NC2CC2)c2ccccc2)CC1 ZINC000057847333 454152164 /nfs/dbraw/zinc/15/21/64/454152164.db2.gz YNGHCYRJVOPEIO-FQEVSTJZSA-N 2 0 343.515 3.060 10 0 EGAERP C[NH+]1CCC(N2CCC([NH2+][C@H]3CC[C@@H](c4ccccc4)C3)CC2)CC1 ZINC000130943139 454227130 /nfs/dbraw/zinc/22/71/30/454227130.db2.gz GTNXWZYYLHVYLC-CTNGQTDRSA-N 2 0 341.543 3.471 10 0 EGAERP Cc1ccc(C[N@H+](C)CC2CC[NH+](C[C@@H](O)c3ccccc3)CC2)o1 ZINC000121163521 454400735 /nfs/dbraw/zinc/40/07/35/454400735.db2.gz VNMDDRIVUWBBNI-OAQYLSRUSA-N 2 0 342.483 3.465 10 0 EGAERP CC[N@@H+](Cc1nc(C)ccc1O)C[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000093818734 454737503 /nfs/dbraw/zinc/73/75/03/454737503.db2.gz UUOTVFLSXHLMJB-IBGZPJMESA-N 2 0 339.483 3.440 10 0 EGAERP CNc1cc(N2CCC[C@H]2C[NH2+][C@H](C)c2ccc(F)c(F)c2)ncn1 ZINC000124570438 454748890 /nfs/dbraw/zinc/74/88/90/454748890.db2.gz CHKVUTUKCNQFHS-OCCSQVGLSA-N 2 0 347.413 3.116 10 0 EGAERP COC(=O)c1ccc(C[N@@H+]2CC[C@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000163352207 454841695 /nfs/dbraw/zinc/84/16/95/454841695.db2.gz YHDNFZNBKWAVGK-CQSZACIVSA-N 2 0 345.468 3.172 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@@H](C[C@@H]2CCOC2)c2ccccc2)CC1 ZINC000166459571 454911499 /nfs/dbraw/zinc/91/14/99/454911499.db2.gz HYPRKBQKCXHVFL-RXVVDRJESA-N 2 0 346.515 3.245 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@H]([NH3+])C2)c1 ZINC000178850040 454984206 /nfs/dbraw/zinc/98/42/06/454984206.db2.gz WJKUXCBNEUAJRK-PMACEKPBSA-N 2 0 345.531 3.442 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180007872 455114762 /nfs/dbraw/zinc/11/47/62/455114762.db2.gz UAYIIIQSJLJVKJ-LJQANCHMSA-N 2 0 335.923 3.407 10 0 EGAERP O[C@@H]1CCCC[C@@H]1C[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180147180 455140151 /nfs/dbraw/zinc/14/01/51/455140151.db2.gz OFEVWWDJVWDOJD-JPGZLTHCSA-N 2 0 328.500 3.323 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2cn(C)nc2-c2cccs2)[C@H](C)C1 ZINC000180415733 455165738 /nfs/dbraw/zinc/16/57/38/455165738.db2.gz HGPAVKUCJZERCM-ZBFHGGJFSA-N 2 0 332.517 3.311 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000180457858 455173311 /nfs/dbraw/zinc/17/33/11/455173311.db2.gz HIXRBLNMCWWMNB-UHFFFAOYSA-N 2 0 331.435 3.486 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2nc3cc(Cl)ccc3n2C)[C@@H](C)C1 ZINC000245442798 455302276 /nfs/dbraw/zinc/30/22/76/455302276.db2.gz WPDKAJFLJCLWIJ-BBRMVZONSA-N 2 0 334.895 3.389 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@@H]2C[C@H](C)[N@@H+](C)C[C@H]2C)CC1 ZINC000247101324 455559669 /nfs/dbraw/zinc/55/96/69/455559669.db2.gz QAVGDYOZBSXUEW-LVCYWYKZSA-N 2 0 329.532 3.278 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)[NH2+]Cc1ccc2c(c1)sc(=O)n2C ZINC000192673015 455666375 /nfs/dbraw/zinc/66/63/75/455666375.db2.gz KFGMRWABPYTKET-CQSZACIVSA-N 2 0 335.517 3.200 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@H](C)[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000284415305 455682837 /nfs/dbraw/zinc/68/28/37/455682837.db2.gz QKRVGRJYQXIBQF-XIGKFDRGSA-N 2 0 346.515 3.014 10 0 EGAERP C[C@H]1c2ccc(F)cc2CCN1C[C@H](O)C[N@H+](C)Cc1ccccc1 ZINC000606540410 460693018 /nfs/dbraw/zinc/69/30/18/460693018.db2.gz NARKVQWHTXTGHK-OXJNMPFZSA-N 2 0 342.458 3.238 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@@H]2CC[NH2+]C[C@H]2C)cc1Br ZINC000261627418 455915956 /nfs/dbraw/zinc/91/59/56/455915956.db2.gz VKVQJJSQXMALRJ-UHIISALHSA-N 2 0 327.266 3.106 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000272385842 455933594 /nfs/dbraw/zinc/93/35/94/455933594.db2.gz GAUWIUIIDBIQSR-AFSNDHJISA-N 2 0 339.527 3.254 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000272688710 456040131 /nfs/dbraw/zinc/04/01/31/456040131.db2.gz OZLWRFBMXLFJOE-NJDAHSKKSA-N 3 0 329.532 3.219 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000272766938 456064960 /nfs/dbraw/zinc/06/49/60/456064960.db2.gz MGYBOUOZJFDAGP-IEZWGBDMSA-N 2 0 326.488 3.149 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)c1ccc(C[NH+]2CCCC2)cc1 ZINC000620622573 460709558 /nfs/dbraw/zinc/70/95/58/460709558.db2.gz WWUMPHOHWQKHAD-UHFFFAOYSA-N 2 0 331.504 3.133 10 0 EGAERP COc1ccc(C[C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc1OC ZINC000297564652 456253644 /nfs/dbraw/zinc/25/36/44/456253644.db2.gz QTHXLQUJZJBDQM-CQSZACIVSA-N 2 0 325.412 3.072 10 0 EGAERP Cc1ccc2[nH+]ccc(NC[C@@H](O)C[N@@H+]3CCc4ccccc4C3)c2c1 ZINC000302181480 456309241 /nfs/dbraw/zinc/30/92/41/456309241.db2.gz ZTMNHCRPPFWCHA-LJQANCHMSA-N 2 0 347.462 3.374 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccccc1-c1ccnn1C)[NH+]1CCCCC1 ZINC000352874927 456381694 /nfs/dbraw/zinc/38/16/94/456381694.db2.gz IPPIEWOSEJTWBL-QGZVFWFLSA-N 2 0 326.488 3.441 10 0 EGAERP Nc1ncnc(NC[C@H]2CCCC[N@@H+]2Cc2ccccc2)c1Cl ZINC000302884513 456426289 /nfs/dbraw/zinc/42/62/89/456426289.db2.gz KIMSEEXXIMMXLR-CQSZACIVSA-N 2 0 331.851 3.179 10 0 EGAERP C[C@H]([NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1)c1cc[nH]c(=O)c1 ZINC000340450148 456469600 /nfs/dbraw/zinc/46/96/00/456469600.db2.gz GSKPAFLOBGTTKL-TXPKVOOTSA-N 2 0 325.456 3.348 10 0 EGAERP COc1ccc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc1OCC(C)C ZINC000353235012 456576776 /nfs/dbraw/zinc/57/67/76/456576776.db2.gz APOHOVJXGZBKDV-HNNXBMFYSA-N 2 0 329.444 3.100 10 0 EGAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@H]3C3CCC3)cc2)CC1 ZINC000337986497 456639129 /nfs/dbraw/zinc/63/91/29/456639129.db2.gz DJJDWHIOTHMHRP-LEWJYISDSA-N 2 0 327.516 3.102 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CC(=O)N(C)[C@H]2CCCC[C@@H]2C)CC1 ZINC000343560283 456705869 /nfs/dbraw/zinc/70/58/69/456705869.db2.gz COMCGNOHPYJAHQ-HKUYNNGSSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+][C@@H]2CC[NH+](C)[C@@H]3CCC[C@H]32)c1 ZINC000353502140 456719713 /nfs/dbraw/zinc/71/97/13/456719713.db2.gz KWDPATNHUSSGOD-PWRODBHTSA-N 3 0 329.532 3.489 10 0 EGAERP O=C(NC[C@H]1CCCC[N@@H+]1C1CC1)c1cccc(C[NH+]2CCCC2)c1 ZINC000277400261 456810144 /nfs/dbraw/zinc/81/01/44/456810144.db2.gz BIDWMFWAZQTRFV-HXUWFJFHSA-N 2 0 341.499 3.029 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2cnc(-c3ccncc3)s2)[C@H](C)C1 ZINC000353754189 456890961 /nfs/dbraw/zinc/89/09/61/456890961.db2.gz YQTSIHVPKBCGOK-PBHICJAKSA-N 2 0 330.501 3.367 10 0 EGAERP C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000354177041 457112532 /nfs/dbraw/zinc/11/25/32/457112532.db2.gz GAUWIUIIDBIQSR-NGMPGZOMSA-N 2 0 339.527 3.254 10 0 EGAERP C[C@@H]1C[C@@H]1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2 ZINC000354206419 457130449 /nfs/dbraw/zinc/13/04/49/457130449.db2.gz JVIDJEQSLSWMEH-RLLQIKCJSA-N 2 0 328.500 3.161 10 0 EGAERP C[NH+]1CCC(C[NH2+][C@H]2CCC[C@H]2CCCF)(N2CCCCC2)CC1 ZINC000374517677 457647112 /nfs/dbraw/zinc/64/71/12/457647112.db2.gz DFESLMWSHSBTOJ-OALUTQOASA-N 2 0 339.543 3.445 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]CC1(C)CC[NH+](C)CC1 ZINC000364820956 457699907 /nfs/dbraw/zinc/69/99/07/457699907.db2.gz ZAHXALLWUQOJHX-UYAOXDASSA-N 3 0 329.532 3.219 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)N1CCC[C@H]([C@H]2CCC[NH2+]2)C1)c1ccccc1 ZINC000371019628 457762119 /nfs/dbraw/zinc/76/21/19/457762119.db2.gz SUZMGLNLFLXBCO-ZCNNSNEGSA-N 2 0 343.515 3.060 10 0 EGAERP COC(=O)[C@H]1CCC[N@H+](Cc2ccc(C[NH+]3CCCCC3)cc2)C1 ZINC000411214281 457833390 /nfs/dbraw/zinc/83/33/90/457833390.db2.gz FCZJSNPPJDHARP-IBGZPJMESA-N 2 0 330.472 3.058 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)[C@@H](C)C1 ZINC000358293603 457917085 /nfs/dbraw/zinc/91/70/85/457917085.db2.gz AGYQXDKWMPHNJF-FHWLQOOXSA-N 2 0 338.536 3.205 10 0 EGAERP CC(C)OCC[NH+]1CCCC2(CCC[N@@H+](CCOC(C)C)C2)C1 ZINC000368074365 458008271 /nfs/dbraw/zinc/00/82/71/458008271.db2.gz OGSUJYVUMWAOLD-UHFFFAOYSA-N 2 0 326.525 3.014 10 0 EGAERP COc1cccc(CC[NH2+]C2CC[NH+]([C@@H]3CCC[C@@H](C)C3)CC2)n1 ZINC000358770624 458206534 /nfs/dbraw/zinc/20/65/34/458206534.db2.gz JKMRPOVHOYBJPD-VQIMIIECSA-N 2 0 331.504 3.265 10 0 EGAERP CC[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+](CC)CC ZINC000447722216 458334074 /nfs/dbraw/zinc/33/40/74/458334074.db2.gz IWIBAUJCKSAFIS-DLBZAZTESA-N 2 0 333.476 3.131 10 0 EGAERP C[NH+](C)[C@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000429546930 458342432 /nfs/dbraw/zinc/34/24/32/458342432.db2.gz IIHIXJOCHFUGGZ-AWEZNQCLSA-N 2 0 334.489 3.147 10 0 EGAERP CCO[C@@H]1C[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)[C@H]1Sc1ccccc1 ZINC000459385367 458354605 /nfs/dbraw/zinc/35/46/05/458354605.db2.gz HELDBTVUEDBFCG-GDAAHCPNSA-N 2 0 334.529 3.256 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@H]1CC[C@H](C[NH3+])CC1 ZINC000423435475 458432677 /nfs/dbraw/zinc/43/26/77/458432677.db2.gz YYKRYQHCQQLDIA-IWFBPKFRSA-N 3 0 329.532 3.252 10 0 EGAERP Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423500409 458444552 /nfs/dbraw/zinc/44/45/52/458444552.db2.gz BVPVUYRIPILNCJ-HTWSVDAQSA-N 2 0 349.519 3.169 10 0 EGAERP C[C@H]1CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2ccccc21 ZINC000423512725 458447368 /nfs/dbraw/zinc/44/73/68/458447368.db2.gz PCEOHRHDUCMNFV-RJPLPAITSA-N 2 0 327.516 3.431 10 0 EGAERP C[C@@H]1CCc2c(F)cccc2[C@H]1[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000423521793 458451268 /nfs/dbraw/zinc/45/12/68/458451268.db2.gz TXOFZXMJTJHFGN-DITFZZFKSA-N 2 0 345.506 3.255 10 0 EGAERP c1cc(C[NH+]2C[C@@H]3C[C@H]2CS3)cc(C[N@@H+]2C[C@@H]3C[C@H]2CS3)c1 ZINC000459789981 458480296 /nfs/dbraw/zinc/48/02/96/458480296.db2.gz GOQIDPNKAKKORQ-XSLAGTTESA-N 2 0 332.538 3.066 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1ccccc1)[NH+]1CCCC1 ZINC000431570134 458590619 /nfs/dbraw/zinc/59/06/19/458590619.db2.gz LQQXSFIDHWHSDM-WOJBJXKFSA-N 2 0 343.515 3.204 10 0 EGAERP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CC2(C[C@@H]1C)CC[NH2+]CC2 ZINC000424287441 458603530 /nfs/dbraw/zinc/60/35/30/458603530.db2.gz ITWVOECDZYRHMW-INIZCTEOSA-N 2 0 343.515 3.214 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438991076 458638499 /nfs/dbraw/zinc/63/84/99/458638499.db2.gz LUHSSRANHHFRAX-HNNXBMFYSA-N 2 0 347.503 3.426 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)N[C@H]1CC[NH2+]C12CCC2 ZINC000530176901 458708266 /nfs/dbraw/zinc/70/82/66/458708266.db2.gz DZCOTDLIENAYAS-ABAIWWIYSA-N 2 0 341.268 3.393 10 0 EGAERP [NH3+]CC1CCC([NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000530224034 458721731 /nfs/dbraw/zinc/72/17/31/458721731.db2.gz VOXZFMVKNGSGIN-UHFFFAOYSA-N 2 0 333.220 3.334 10 0 EGAERP Clc1ccc(CCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530239964 458727860 /nfs/dbraw/zinc/72/78/60/458727860.db2.gz JITBCVPUDANJIJ-IBGZPJMESA-N 2 0 336.907 3.363 10 0 EGAERP Cc1ccc(C)c(OCCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530240581 458727951 /nfs/dbraw/zinc/72/79/51/458727951.db2.gz LWSMZXLFVDZZIZ-HXUWFJFHSA-N 2 0 346.515 3.163 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC[N@@H+]1C ZINC000456706788 458758012 /nfs/dbraw/zinc/75/80/12/458758012.db2.gz JEPIDVJOSCJRKW-IRXDYDNUSA-N 2 0 337.552 3.076 10 0 EGAERP CC1CC[NH+](Cc2cccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)c2)CC1 ZINC000495061435 458789540 /nfs/dbraw/zinc/78/95/40/458789540.db2.gz CDPUAVCCGJQGBR-IBGZPJMESA-N 2 0 343.515 3.065 10 0 EGAERP C[C@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533408 458876205 /nfs/dbraw/zinc/87/62/05/458876205.db2.gz YVYPGTDXDAUISB-ICSRJNTNSA-N 2 0 327.516 3.115 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)C3CCCCC3)cn2)CC1 ZINC000474482289 458888430 /nfs/dbraw/zinc/88/84/30/458888430.db2.gz KHDRNDVAOUWYBC-KRWDZBQOSA-N 2 0 330.520 3.282 10 0 EGAERP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000566799669 459002684 /nfs/dbraw/zinc/00/26/84/459002684.db2.gz IXMHUCJBUDWXFG-GJZGRUSLSA-N 2 0 330.451 3.017 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000566949537 459025524 /nfs/dbraw/zinc/02/55/24/459025524.db2.gz FYMQJOIFTJAYMB-RXVVDRJESA-N 3 0 329.532 3.219 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000594493763 459058689 /nfs/dbraw/zinc/05/86/89/459058689.db2.gz KJRDXLNRHGPGTC-ZHALLVOQSA-N 2 0 328.456 3.067 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+]C1CC[NH+](C3CCC3)CC1)CCC2 ZINC000594493056 459059662 /nfs/dbraw/zinc/05/96/62/459059662.db2.gz FHPKRERKODCOEW-HXUWFJFHSA-N 2 0 342.483 3.457 10 0 EGAERP CC(C)[N@H+](C)CC1CCN(CC(=O)c2c[nH]c3ccccc23)CC1 ZINC000532536669 459108047 /nfs/dbraw/zinc/10/80/47/459108047.db2.gz HAWKEISVARRZIU-UHFFFAOYSA-N 2 0 327.472 3.403 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NC[C@@H]1CCC[N@@H+]1C1CCCCC1 ZINC000578049451 459138519 /nfs/dbraw/zinc/13/85/19/459138519.db2.gz CWAOEGCQSIOBGI-SFHVURJKSA-N 2 0 344.503 3.325 10 0 EGAERP Cc1nn(Cc2ccccc2)c(C)c1CN1CC[C@]2(C1)CCC[NH2+]C2 ZINC000567871614 459182001 /nfs/dbraw/zinc/18/20/01/459182001.db2.gz XVZXPTDGSCLPJZ-OAQYLSRUSA-N 2 0 338.499 3.124 10 0 EGAERP C[C@@H]1CCC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC000480620646 459208850 /nfs/dbraw/zinc/20/88/50/459208850.db2.gz VRIJXXJQENJMHO-SFHLNBCPSA-N 2 0 329.532 3.219 10 0 EGAERP COC(=O)CC(C)(C)C[C@@H](C)[NH2+]C[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000595054968 459229558 /nfs/dbraw/zinc/22/95/58/459229558.db2.gz QUOMBPSBIMGOAY-IEBWSBKVSA-N 2 0 346.515 3.466 10 0 EGAERP COC(=O)CCC[C@H]1CCC[C@H]([NH2+]C2CC([NH+]3CCCCC3)C2)C1 ZINC000559301638 459250122 /nfs/dbraw/zinc/25/01/22/459250122.db2.gz FJKAPUMDDLUAMM-SMVLHYPJSA-N 2 0 336.520 3.495 10 0 EGAERP C[C@H](C[C@@H]1CCCCC[NH2+]1)[NH2+][C@H](C)c1ccc(-n2ccnn2)cc1 ZINC000582056808 459299901 /nfs/dbraw/zinc/29/99/01/459299901.db2.gz NXGASLXZLVZYPS-NUJGCVRESA-N 2 0 327.476 3.229 10 0 EGAERP COc1ccccc1/C=C\C[NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000525484639 459459829 /nfs/dbraw/zinc/45/98/29/459459829.db2.gz HCGODQIGMSFPNM-BEPFOMCCSA-N 2 0 332.488 3.187 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C1(c2ccccc2)CCOCC1 ZINC000542303562 459544953 /nfs/dbraw/zinc/54/49/53/459544953.db2.gz GSEQZIBQACOGKH-UHFFFAOYSA-N 2 0 348.450 3.371 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000562744397 459639186 /nfs/dbraw/zinc/63/91/86/459639186.db2.gz GYWIWXSGXJZTCH-CRAIPNDOSA-N 2 0 339.487 3.148 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(C[N@@H+](C)C(C)C)CC1 ZINC000543395415 459652604 /nfs/dbraw/zinc/65/26/04/459652604.db2.gz ZGSFKJDIYOWLQE-UHFFFAOYSA-N 3 0 341.503 3.128 10 0 EGAERP COc1ccc(-c2cnc(C[NH+]3CCC([C@H]4CCC[NH2+]4)CC3)o2)cc1 ZINC000562838317 459657926 /nfs/dbraw/zinc/65/79/26/459657926.db2.gz WBWARVSOBHHRDK-GOSISDBHSA-N 2 0 341.455 3.314 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CN(C)CCN1C)c1ccc(-c2ccccc2)s1 ZINC000543592530 459672487 /nfs/dbraw/zinc/67/24/87/459672487.db2.gz WSMZRXOVSUUUHE-NVXWUHKLSA-N 2 0 329.513 3.312 10 0 EGAERP O[C@H]1CCCC[C@@H]1C[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000584172637 459673267 /nfs/dbraw/zinc/67/32/67/459673267.db2.gz YSQJXTUGSUDMMU-AABGKKOBSA-N 2 0 328.500 3.324 10 0 EGAERP c1ccc(-c2nc3ccccn3c2C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)cc1 ZINC000563214848 459739902 /nfs/dbraw/zinc/73/99/02/459739902.db2.gz FKVXORXSQNDDTC-KDURUIRLSA-N 2 0 346.478 3.433 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@@H]([NH2+]C[C@H]2CCN2C2CCCC2)C1 ZINC000527810197 459745326 /nfs/dbraw/zinc/74/53/26/459745326.db2.gz VCCXGUIZHDQKRT-YFVAEKQCSA-N 2 0 327.516 3.428 10 0 EGAERP C[C@@H](NCc1nnc(C2CC2)s1)c1cccc(-n2ccnc2)c1 ZINC000574367676 459810132 /nfs/dbraw/zinc/81/01/32/459810132.db2.gz KVMONWHILOCHGQ-GFCCVEGCSA-N 2 0 325.441 3.452 10 0 EGAERP CC(=O)c1ccccc1NC(=O)CCC[N@@H+](C)[C@H]1CCN(C)[C@H](C)C1 ZINC000574529935 459830309 /nfs/dbraw/zinc/83/03/09/459830309.db2.gz NTNBYWSOGXJPKQ-WBVHZDCISA-N 2 0 345.487 3.022 10 0 EGAERP COC(=O)c1ccc(C[NH2+]CCCCC[NH+]2CCCC2)cc1Cl ZINC000597134892 459848397 /nfs/dbraw/zinc/84/83/97/459848397.db2.gz FCCQNTUXOJPPPZ-UHFFFAOYSA-N 2 0 338.879 3.482 10 0 EGAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@H]2CCCC23CC3)c1 ZINC000575935760 460038007 /nfs/dbraw/zinc/03/80/07/460038007.db2.gz CSMRQIIRRUQDFU-IBGZPJMESA-N 2 0 332.488 3.066 10 0 EGAERP COc1ccc(C[N@@H+]2CCCC[C@H]2[C@H](C[NH3+])Cc2ccccc2)cn1 ZINC000621775702 460059695 /nfs/dbraw/zinc/05/96/95/460059695.db2.gz WXZSBTPKCYBWBX-PMACEKPBSA-N 2 0 339.483 3.262 10 0 EGAERP CCOC(=O)c1cccc(C[NH2+]CCCC[NH+]2C[C@@H](C)C[C@H](C)C2)n1 ZINC000600124051 460393031 /nfs/dbraw/zinc/39/30/31/460393031.db2.gz NWWAYZAAJZCVIX-IRXDYDNUSA-N 2 0 347.503 3.106 10 0 EGAERP COc1ccccc1[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623337411 460496572 /nfs/dbraw/zinc/49/65/72/460496572.db2.gz JBZZKNURCOIHQE-MJGOQNOKSA-N 2 0 345.531 3.295 10 0 EGAERP COc1cc([C@H](C)N[C@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623357951 460507524 /nfs/dbraw/zinc/50/75/24/460507524.db2.gz IKRPYVJAZOVYHT-ZFWWWQNUSA-N 2 0 336.476 3.236 10 0 EGAERP C[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1ccc(NC(=O)NC2CC2)cc1 ZINC000623359060 460509328 /nfs/dbraw/zinc/50/93/28/460509328.db2.gz BIJOSGOZCUCVTC-KSSFIOAISA-N 2 0 344.503 3.494 10 0 EGAERP O[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@H]21)C(F)F ZINC000631700227 460522924 /nfs/dbraw/zinc/52/29/24/460522924.db2.gz DQTTYQKVDUXIJL-XWTMOSNGSA-N 2 0 338.442 3.035 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2ccc(Br)cc2)CC1(C)C ZINC000623404250 460531131 /nfs/dbraw/zinc/53/11/31/460531131.db2.gz VOHVJXHYLOYMHX-AWEZNQCLSA-N 2 0 341.293 3.290 10 0 EGAERP [NH3+]C1(C[NH2+][C@H]2CCC[C@@H]2c2ccc(C(F)(F)F)cc2)CCOCC1 ZINC000629387247 460746366 /nfs/dbraw/zinc/74/63/66/460746366.db2.gz DFIVNSBFTIQKOC-CVEARBPZSA-N 2 0 342.405 3.439 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1c2ccccc2C(=O)N1Cc1ccccc1 ZINC000629517943 460791683 /nfs/dbraw/zinc/79/16/83/460791683.db2.gz BGEHJPPFFDBDMW-DZFGPLHGSA-N 2 0 349.478 3.101 10 0 EGAERP 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336.442 3.398 10 0 EGAERP C[N@H+](CCNC(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2)C1CCCCC1 ZINC000662415692 461235792 /nfs/dbraw/zinc/23/57/92/461235792.db2.gz VVSDSCVJAAREKO-SFHVURJKSA-N 2 0 343.515 3.060 10 0 EGAERP C[N@H+](CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2)C1CCCCC1 ZINC000662415691 461235995 /nfs/dbraw/zinc/23/59/95/461235995.db2.gz VVSDSCVJAAREKO-GOSISDBHSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C[NH+]3CCC(O)CC3)cc2)CS1 ZINC000655710673 461380194 /nfs/dbraw/zinc/38/01/94/461380194.db2.gz CDPDQKWQINUYLS-CRAIPNDOSA-N 2 0 334.529 3.017 10 0 EGAERP COc1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccccn2)cc1 ZINC000655803214 461463257 /nfs/dbraw/zinc/46/32/57/461463257.db2.gz NMZMNDGOLVZEON-OXFYSEKESA-N 2 0 325.456 3.109 10 0 EGAERP CC[C@H]([NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1)c1cc(OC)c(OC)c(OC)c1 ZINC000655803721 461463518 /nfs/dbraw/zinc/46/35/18/461463518.db2.gz XBMKETQZYAWQRE-IMJJTQAJSA-N 2 0 336.476 3.093 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCCO2)cc1 ZINC000655813526 461469989 /nfs/dbraw/zinc/46/99/89/461469989.db2.gz ZGAHOEAHSZWCCS-VQTJNVASSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](CCCC[NH2+]Cc2c3c(nn2C)CCCC3)C1 ZINC000631043422 461495954 /nfs/dbraw/zinc/49/59/54/461495954.db2.gz VQRCRGNZCHTXMS-IAGOWNOFSA-N 2 0 332.536 3.147 10 0 EGAERP CO[C@H](C[NH+]1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1)[C@@H]1CCOC1 ZINC000660005586 461541929 /nfs/dbraw/zinc/54/19/29/461541929.db2.gz AXYDQYADENZFGA-MISYRCLQSA-N 2 0 338.536 3.014 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccn2)c1 ZINC000647179865 461547401 /nfs/dbraw/zinc/54/74/01/461547401.db2.gz TUAQWMWJNFUUNO-UHFFFAOYSA-N 2 0 335.455 3.009 10 0 EGAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1oc2ccccc2c1Cl ZINC000631179421 461617677 /nfs/dbraw/zinc/61/76/77/461617677.db2.gz CGQMTLSGAZJNKA-UHFFFAOYSA-N 2 0 335.879 3.156 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@@H](C)CC(=O)Nc1ccccc1C(F)(F)F ZINC000663504330 461676565 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346.906 3.420 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000650745856 461930137 /nfs/dbraw/zinc/93/01/37/461930137.db2.gz PLIJGGZJVZIYOB-VAMGGRTRSA-N 3 0 327.516 3.006 10 0 EGAERP C[NH+]1CCC2(CC1)CN(Cc1ccccc1OC1CCCC1)CCO2 ZINC000648071669 461968241 /nfs/dbraw/zinc/96/82/41/461968241.db2.gz OEUPDEARPQNQKE-UHFFFAOYSA-N 2 0 344.499 3.305 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]CCC(=O)Nc2ccccc2F)ccc1F ZINC000644568881 461989293 /nfs/dbraw/zinc/98/92/93/461989293.db2.gz ZNZWFHGAPRFEOO-UHFFFAOYSA-N 2 0 347.409 3.145 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCCC2 ZINC000657381107 462085597 /nfs/dbraw/zinc/08/55/97/462085597.db2.gz CRQJPVJXHWZLDB-MSOLQXFVSA-N 2 0 326.444 3.095 10 0 EGAERP CC(C)CC[NH+]1CCC(C[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000657391111 462092880 /nfs/dbraw/zinc/09/28/80/462092880.db2.gz PARGYEVTTIARKM-UHFFFAOYSA-N 2 0 346.441 3.287 10 0 EGAERP c1cc(O[C@H]2CCOC2)ccc1C[NH+]1CCC(C[NH+]2CCCC2)CC1 ZINC000667501555 462115938 /nfs/dbraw/zinc/11/59/38/462115938.db2.gz AFFCGFABFYDZCN-NRFANRHFSA-N 2 0 344.499 3.162 10 0 EGAERP Cc1cc(N2CCO[C@H](CCC[NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000664658105 462142539 /nfs/dbraw/zinc/14/25/39/462142539.db2.gz OXHRVQOOWVDFMR-MRXNPFEDSA-N 2 0 331.435 3.229 10 0 EGAERP Fc1cc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc(F)c1F ZINC000657535531 462170540 /nfs/dbraw/zinc/17/05/40/462170540.db2.gz OKVZGUBDSKTABN-UHFFFAOYSA-N 2 0 342.405 3.085 10 0 EGAERP Cc1ccccc1C[C@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657537295 462172458 /nfs/dbraw/zinc/17/24/58/462172458.db2.gz GYPOPKKMIUGVEO-SFHVURJKSA-N 2 0 330.516 3.407 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cnc(C2CCCC2)s1 ZINC000657573337 462187099 /nfs/dbraw/zinc/18/70/99/462187099.db2.gz JNWAFIIEHCCUES-HNNXBMFYSA-N 2 0 338.565 3.162 10 0 EGAERP CCC[N@H+](Cc1ccnn1-c1cc[nH+]cc1)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000667664421 462197525 /nfs/dbraw/zinc/19/75/25/462197525.db2.gz KWOZQXVFDWGTFO-OTWHNJEPSA-N 2 0 340.471 3.293 10 0 EGAERP C[C@@H](O)CC[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000664836144 462210414 /nfs/dbraw/zinc/21/04/14/462210414.db2.gz JJANIRXVGIFYKJ-YLJYHZDGSA-N 2 0 330.516 3.380 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]C2CCC(OC(F)F)CC2)[C@H](C)C1 ZINC000651469382 462238653 /nfs/dbraw/zinc/23/86/53/462238653.db2.gz LMAVLAJDWUDJIN-RDHHWEPZSA-N 2 0 348.478 3.263 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]CCCC[N@@H+]1CCCC[C@@H]1C ZINC000657838199 462290847 /nfs/dbraw/zinc/29/08/47/462290847.db2.gz OREQITUBQAYZJY-PKOBYXMFSA-N 2 0 326.525 3.062 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651750233 462324865 /nfs/dbraw/zinc/32/48/65/462324865.db2.gz ACAILSPHIJNTKJ-MRXNPFEDSA-N 2 0 339.886 3.084 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651753339 462326073 /nfs/dbraw/zinc/32/60/73/462326073.db2.gz NRBNDKMOYBHQLC-DZGCQCFKSA-N 2 0 328.859 3.413 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc2c(c1)COC2 ZINC000658067774 462365058 /nfs/dbraw/zinc/36/50/58/462365058.db2.gz QKKFEUPIEQSNON-MRXNPFEDSA-N 2 0 344.499 3.258 10 0 EGAERP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273207 462378713 /nfs/dbraw/zinc/37/87/13/462378713.db2.gz RQLRFOLUQUJEQE-IRFCIJBXSA-N 2 0 335.451 3.102 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cc1Cl ZINC000658106328 462386906 /nfs/dbraw/zinc/38/69/06/462386906.db2.gz BNYKKALROLGEAJ-GJZGRUSLSA-N 2 0 341.927 3.271 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138997 462401880 /nfs/dbraw/zinc/40/18/80/462401880.db2.gz KMEFANKOJBBYEJ-RDTXWAMCSA-N 2 0 346.421 3.382 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1ccc(F)c(F)c1 ZINC000658138991 462402677 /nfs/dbraw/zinc/40/26/77/462402677.db2.gz KMEFANKOJBBYEJ-KBXCAEBGSA-N 2 0 346.421 3.382 10 0 EGAERP C[C@@H](CCCC(F)(F)F)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138890 462402994 /nfs/dbraw/zinc/40/29/94/462402994.db2.gz 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UVXNXHSUGDORKH-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](C)CCNC(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001266144166 1377206426 /nfs/dbraw/zinc/20/64/26/1377206426.db2.gz MKCBZHRZILFMCE-QUCCMNQESA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2ccc(C)c(C)c2)CC[N@@H+]1C ZINC001266146767 1377207462 /nfs/dbraw/zinc/20/74/62/1377207462.db2.gz RFTAOKSPUJXINE-YSIASYRMSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1cc(C)cc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246984 1377245442 /nfs/dbraw/zinc/24/54/42/1377245442.db2.gz ZJPLAQMJVUMMKZ-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP O=C(CC[N@H+]1CC[C@@H](F)C1)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC001136204318 1377363959 /nfs/dbraw/zinc/36/39/59/1377363959.db2.gz KWJYILBAIUXGAQ-QGZVFWFLSA-N 2 0 333.451 3.045 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCC[N@H+](CCC)C1 ZINC001266877661 1377398685 /nfs/dbraw/zinc/39/86/85/1377398685.db2.gz VFUSXMQRTGKEBF-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1CC ZINC001266884488 1377399983 /nfs/dbraw/zinc/39/99/83/1377399983.db2.gz PLTDWYRERQMWCT-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[NH2+]CCN(C)C(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001267386608 1377443948 /nfs/dbraw/zinc/44/39/48/1377443948.db2.gz OBGKDTRTFDFMPX-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC(C)C)c1ccccc1 ZINC001267971201 1377481086 /nfs/dbraw/zinc/48/10/86/1377481086.db2.gz ZNHBSRAMRCAXGK-WOJBJXKFSA-N 2 0 345.531 3.306 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CC1 ZINC001268276674 1377505593 /nfs/dbraw/zinc/50/55/93/1377505593.db2.gz LKGLUCUKCURNKW-NVXWUHKLSA-N 2 0 349.544 3.098 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](Cc2ccsc2)C1 ZINC001269142671 1377539449 /nfs/dbraw/zinc/53/94/49/1377539449.db2.gz JONLNDFZGJVEBI-MRXNPFEDSA-N 2 0 349.544 3.092 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001269447481 1377554330 /nfs/dbraw/zinc/55/43/30/1377554330.db2.gz CADIAEDFJDAHKJ-YFPIXMDGSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[C@H](C(=O)NCC1([NH2+][C@@H](C)c2ccccc2)CC1)[NH+]1CCCC1 ZINC001269544694 1377557977 /nfs/dbraw/zinc/55/79/77/1377557977.db2.gz OTUWCLCHVFZEKL-PKOBYXMFSA-N 2 0 343.515 3.106 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001275768384 1378156431 /nfs/dbraw/zinc/15/64/31/1378156431.db2.gz OFVBWLUJEOHXCM-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001280163570 1378332160 /nfs/dbraw/zinc/33/21/60/1378332160.db2.gz JONPKCMGIHDREP-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001280171882 1378333152 /nfs/dbraw/zinc/33/31/52/1378333152.db2.gz AEFQLXQJXIIUBL-IBGZPJMESA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCC1 ZINC001280488462 1378350456 /nfs/dbraw/zinc/35/04/56/1378350456.db2.gz XSJZWADQKMJHED-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001282740824 1378591898 /nfs/dbraw/zinc/59/18/98/1378591898.db2.gz PIHLNGOQSHRRBT-OXUXSNCKSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](CCC[NH2+]Cc1ccc(CF)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001283220552 1378764655 /nfs/dbraw/zinc/76/46/55/1378764655.db2.gz CHOIONSCVRBZDI-LPHOPBHVSA-N 2 0 349.494 3.015 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]CC1CCCCC1 ZINC001283679528 1379109150 /nfs/dbraw/zinc/10/91/50/1379109150.db2.gz WUYFSQWFIMBWTR-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001284014999 1379363953 /nfs/dbraw/zinc/36/39/53/1379363953.db2.gz DDLFAZVCKVZYJX-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC1CCCCCC1)CC2 ZINC001284066151 1379422301 /nfs/dbraw/zinc/42/23/01/1379422301.db2.gz FFMJQZZNVZZPMV-PZJWPPBQSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cn(C(C)(C)C(=O)N2C[C@@H](C)[C@@H]([NH2+]CCCC(C)(C)C)C2)cn1 ZINC001327881319 1388613971 /nfs/dbraw/zinc/61/39/71/1388613971.db2.gz NSJVLUXDGVSCQE-WBVHZDCISA-N 2 0 348.535 3.189 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001284196095 1379588592 /nfs/dbraw/zinc/58/85/92/1379588592.db2.gz LVJNUWBBMBZIEF-OALUTQOASA-N 2 0 349.563 3.482 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CN(C(=O)CC[NH+]2CCCCC2)CC1(C)C ZINC001284350307 1379749302 /nfs/dbraw/zinc/74/93/02/1379749302.db2.gz ULBVVSPZNNSCRJ-RURPWVQCSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284589326 1379990294 /nfs/dbraw/zinc/99/02/94/1379990294.db2.gz IGNVYKHBPRTHBP-YMHTTXFNSA-N 2 0 349.563 3.195 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001284928779 1380317394 /nfs/dbraw/zinc/31/73/94/1380317394.db2.gz GGSZZXWGPVUEOE-GOSISDBHSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001328282841 1388714565 /nfs/dbraw/zinc/71/45/65/1388714565.db2.gz IVXQYJOXPBKSDO-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(CCN(C(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001328510037 1388768446 /nfs/dbraw/zinc/76/84/46/1388768446.db2.gz SGSQFIVBEZJCAT-GOSISDBHSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+]3CCCCCC3)C2)C1 ZINC001292851386 1382220457 /nfs/dbraw/zinc/22/04/57/1382220457.db2.gz XXVVDHZZTLXLNE-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCCC(C)C)CC[N@@H+]1C ZINC001328735843 1388834303 /nfs/dbraw/zinc/83/43/03/1388834303.db2.gz FRUQXSHVMHQRER-CEXWTWQISA-N 2 0 337.552 3.076 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)C1 ZINC001328805707 1388872101 /nfs/dbraw/zinc/87/21/01/1388872101.db2.gz GEXWYSOMYDJSIT-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP CC1(C)OCC[C@H]1[NH2+]CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307776539 1384030229 /nfs/dbraw/zinc/03/02/29/1384030229.db2.gz QDIXKPCPUUDDMK-HXUWFJFHSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@@H]1CC[C@@H](O)C[N@@H+]1CCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC001307901626 1384054387 /nfs/dbraw/zinc/05/43/87/1384054387.db2.gz UNMVMABBBHKJFQ-WIYYLYMNSA-N 2 0 330.516 3.176 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001316598696 1384464567 /nfs/dbraw/zinc/46/45/67/1384464567.db2.gz GNHVMLFOHIZVGO-SFHVURJKSA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001316632768 1384495534 /nfs/dbraw/zinc/49/55/34/1384495534.db2.gz IPDQXOHUMXRQSI-MKXGPGLRSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001316678914 1384520268 /nfs/dbraw/zinc/52/02/68/1384520268.db2.gz MJXJDUSUCOBHSM-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001316717362 1384535712 /nfs/dbraw/zinc/53/57/12/1384535712.db2.gz QRMXFWIYPXACQU-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001316720290 1384538957 /nfs/dbraw/zinc/53/89/57/1384538957.db2.gz JXHCYEHEMNZCLW-HOJAQTOUSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001316776286 1384575594 /nfs/dbraw/zinc/57/55/94/1384575594.db2.gz YNLRBRHCNYWTOE-GOSISDBHSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001316801133 1384589352 /nfs/dbraw/zinc/58/93/52/1384589352.db2.gz NFRJVJOZVGGYTI-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cc(C[N@@H+](CCCNC(=O)C2([NH+](C)C)CCC2)C2CC2)cs1 ZINC001316919363 1384689701 /nfs/dbraw/zinc/68/97/01/1384689701.db2.gz NZXRNFDRZVIYEH-UHFFFAOYSA-N 2 0 349.544 3.012 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317014263 1384778814 /nfs/dbraw/zinc/77/88/14/1384778814.db2.gz SQCPHCIVGPETAJ-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CCC ZINC001317047021 1384823115 /nfs/dbraw/zinc/82/31/15/1384823115.db2.gz FFDWKCQCCSDUCG-VMASUYHGSA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)C1)[NH+](C)C ZINC001317119662 1384879014 /nfs/dbraw/zinc/87/90/14/1384879014.db2.gz HFZAUPUOZVYWRN-OTWHNJEPSA-N 2 0 345.531 3.061 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317148564 1384915666 /nfs/dbraw/zinc/91/56/66/1384915666.db2.gz FGNSUNXQUNEHJV-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001317159561 1384923637 /nfs/dbraw/zinc/92/36/37/1384923637.db2.gz IFKOZZSYXYJKAX-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1CCC ZINC001317173829 1384943247 /nfs/dbraw/zinc/94/32/47/1384943247.db2.gz QQVNPDWHLVKYPI-ASIGSXEYSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]2CCCC[NH+]2CCCC(C)(C)C)C1 ZINC001317176175 1384948201 /nfs/dbraw/zinc/94/82/01/1384948201.db2.gz KLQDYEVMUVRLAM-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001317183222 1384958828 /nfs/dbraw/zinc/95/88/28/1384958828.db2.gz NIKRRERGGXWDOZ-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001317192904 1384967421 /nfs/dbraw/zinc/96/74/21/1384967421.db2.gz HSKTZBSNSIEYNG-RBUKOAKNSA-N 2 0 331.504 3.060 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001317200953 1384977239 /nfs/dbraw/zinc/97/72/39/1384977239.db2.gz WHZQGNJVSRIJEB-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001317210238 1384988794 /nfs/dbraw/zinc/98/87/94/1384988794.db2.gz WKQPULDAGWPXIA-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCC(C)CC1 ZINC001317275004 1385044340 /nfs/dbraw/zinc/04/43/40/1385044340.db2.gz DXLOBNHCAHVWAL-LXPRWKDFSA-N 2 0 345.531 3.282 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CC[C@H](C[NH2+]CC=C(C)C)C2)o1 ZINC001317354645 1385101722 /nfs/dbraw/zinc/10/17/22/1385101722.db2.gz JVDOCJFVZBOTDF-QGZVFWFLSA-N 2 0 347.503 3.139 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1)CC(C)(C)C ZINC001317355778 1385102404 /nfs/dbraw/zinc/10/24/04/1385102404.db2.gz MOABEPHNSXPUOV-IAGOWNOFSA-N 2 0 339.568 3.418 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C2CCC2)c1 ZINC001317397881 1385114017 /nfs/dbraw/zinc/11/40/17/1385114017.db2.gz YIURVGFSEBZCQW-ROUUACIJSA-N 2 0 345.531 3.333 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317432687 1385136540 /nfs/dbraw/zinc/13/65/40/1385136540.db2.gz UUSSQDPBDFSOFK-HXUWFJFHSA-N 2 0 345.531 3.379 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001317434889 1385138333 /nfs/dbraw/zinc/13/83/33/1385138333.db2.gz NQTPIIQNBFHKIQ-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001317438314 1385140585 /nfs/dbraw/zinc/14/05/85/1385140585.db2.gz YCIPUFZRYFYTDL-UYAOXDASSA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CC1=CCCCC1 ZINC001317490310 1385190077 /nfs/dbraw/zinc/19/00/77/1385190077.db2.gz YFIMZBGOOHUOFZ-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001317502252 1385204697 /nfs/dbraw/zinc/20/46/97/1385204697.db2.gz IDCWIWMXFHNZLQ-PHWHVTFISA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512871 1385225649 /nfs/dbraw/zinc/22/56/49/1385225649.db2.gz QCLKFCKXZFZQEK-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317524102 1385243257 /nfs/dbraw/zinc/24/32/57/1385243257.db2.gz YCKMOLYLICWPAP-MGBKSAOESA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H]1C[N@H+](C[C@@H]2CCCC23CCOCC3)CCN1c1cc[nH+]cc1 ZINC001175774462 1385400717 /nfs/dbraw/zinc/40/07/17/1385400717.db2.gz CZLYGZBJSKKGAC-MSOLQXFVSA-N 2 0 329.488 3.189 10 0 EGAERP COc1cc2c(cc1OC)[C@H](C1CC1)[N@H+](CCCn1ccnc1)CC2 ZINC001176062291 1385475372 /nfs/dbraw/zinc/47/53/72/1385475372.db2.gz OTFNUDTZJXFWLZ-FQEVSTJZSA-N 2 0 341.455 3.300 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)C1 ZINC001317975602 1385595143 /nfs/dbraw/zinc/59/51/43/1385595143.db2.gz PGFQIVWDUYUCDB-ZBWOGFRMSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H]2CCC[NH+]2CCC)C1 ZINC001318406534 1385676580 /nfs/dbraw/zinc/67/65/80/1385676580.db2.gz IKDOETTWXXTVOQ-AWTIPJNISA-N 2 0 335.536 3.140 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001318412808 1385678971 /nfs/dbraw/zinc/67/89/71/1385678971.db2.gz KNDQLJRMSSLDNQ-MGBKSAOESA-N 2 0 335.536 3.140 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+](CCSc2ccccc2)CC1 ZINC001176879610 1385730133 /nfs/dbraw/zinc/73/01/33/1385730133.db2.gz MFHFYSGPZHWHCM-UHFFFAOYSA-N 2 0 334.529 3.092 10 0 EGAERP O=C(N[C@H]1CC[C@H]([NH2+]CCCC2CCCC2)CC1)C12CC[NH+](CC1)C2 ZINC001318979983 1385907781 /nfs/dbraw/zinc/90/77/81/1385907781.db2.gz ZOUAPJGIBGWPKH-WGSAOQKQSA-N 2 0 347.547 3.070 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001318999842 1385918570 /nfs/dbraw/zinc/91/85/70/1385918570.db2.gz DQXLAXJKMQIIAS-LJQANCHMSA-N 2 0 331.504 3.065 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCC1 ZINC001319085287 1385955684 /nfs/dbraw/zinc/95/56/84/1385955684.db2.gz NTABVXWRQSNAID-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001319377971 1386091445 /nfs/dbraw/zinc/09/14/45/1386091445.db2.gz RRYHDMRYVOYGAG-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCC1 ZINC001319390268 1386100452 /nfs/dbraw/zinc/10/04/52/1386100452.db2.gz YVISZRBPZHPAED-SPCWZHTESA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001319589511 1386193093 /nfs/dbraw/zinc/19/30/93/1386193093.db2.gz KMJWWXRRZQBKLS-VSRDTVRMSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001319620545 1386214239 /nfs/dbraw/zinc/21/42/39/1386214239.db2.gz IJCRASZGVBCTPW-RTBURBONSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319635321 1386223367 /nfs/dbraw/zinc/22/33/67/1386223367.db2.gz HZDVYHMWJMTHFP-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001319868582 1386346847 /nfs/dbraw/zinc/34/68/47/1386346847.db2.gz LPIRQEFQGOKHCN-QUCCMNQESA-N 2 0 347.547 3.189 10 0 EGAERP CCC[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1ccccn1 ZINC001319890290 1386367907 /nfs/dbraw/zinc/36/79/07/1386367907.db2.gz OSVPGUFVGXBBEY-IBGZPJMESA-N 2 0 338.499 3.464 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001319935890 1386402670 /nfs/dbraw/zinc/40/26/70/1386402670.db2.gz MPFOWURODMTEHM-RBUKOAKNSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H]2CCC[N@H+]2CC(C)C)cc1 ZINC001320475685 1386620473 /nfs/dbraw/zinc/62/04/73/1386620473.db2.gz ZMUGIJISPJZNST-UYAOXDASSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320528594 1386638151 /nfs/dbraw/zinc/63/81/51/1386638151.db2.gz HXAKOEACQYFRCJ-PKOBYXMFSA-N 2 0 335.536 3.234 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001320928677 1386760952 /nfs/dbraw/zinc/76/09/52/1386760952.db2.gz LQDHVMWITOXOTC-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CC2=CCCCC2)C1)[NH+](C)C ZINC001698679289 1406326750 /nfs/dbraw/zinc/32/67/50/1406326750.db2.gz LHNZRBHVANIDEO-VQTJNVASSA-N 2 0 349.563 3.291 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)NC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c(C)c1 ZINC001321907814 1387007777 /nfs/dbraw/zinc/00/77/77/1387007777.db2.gz SCKKPQXHIJHJJO-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001698698208 1406341776 /nfs/dbraw/zinc/34/17/76/1406341776.db2.gz IJPFKONDTLYZRM-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C)C[NH+](C)Cc1cc2ccccc2s1 ZINC001322274679 1387133676 /nfs/dbraw/zinc/13/36/76/1387133676.db2.gz PTSMVGPAZDWVFB-OAHLLOKOSA-N 2 0 347.528 3.180 10 0 EGAERP C[C@@H]([NH2+]CC1CCCCC1)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001329202969 1389020628 /nfs/dbraw/zinc/02/06/28/1389020628.db2.gz PIPLKXAEZQSVAM-SJORKVTESA-N 2 0 345.531 3.425 10 0 EGAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001329576169 1389162884 /nfs/dbraw/zinc/16/28/84/1389162884.db2.gz YRQYTPOUYHDBKE-FUHWJXTLSA-N 2 0 325.541 3.122 10 0 EGAERP Cc1c[nH+]c2ccccc2c1N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC001329749517 1389217911 /nfs/dbraw/zinc/21/79/11/1389217911.db2.gz WUCYIHVPCOFWPR-UHFFFAOYSA-N 2 0 325.456 3.092 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCCCC[NH+]1CC1CCC1 ZINC001329923046 1389260001 /nfs/dbraw/zinc/26/00/01/1389260001.db2.gz HOCVADUEKIJOEO-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH+]2CCCC2)CC1 ZINC001329991232 1389281021 /nfs/dbraw/zinc/28/10/21/1389281021.db2.gz YECQRSZIJSNNEE-GOSISDBHSA-N 2 0 335.536 3.118 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698722927 1406370202 /nfs/dbraw/zinc/37/02/02/1406370202.db2.gz MBGAJRZHZHELPL-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH+]1C[C@@H]2CC[C@H](NC(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]2C1 ZINC001330466176 1389419919 /nfs/dbraw/zinc/41/99/19/1389419919.db2.gz GXQWJDGGRYAXIA-FHWLQOOXSA-N 2 0 349.563 3.147 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CCC1 ZINC001331223918 1389660344 /nfs/dbraw/zinc/66/03/44/1389660344.db2.gz LGRRZESJDSHESB-MOPGFXCFSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@H](CN(C)C(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1CCCCC1 ZINC001331485412 1389766358 /nfs/dbraw/zinc/76/63/58/1389766358.db2.gz BISUDLSFJBSPAX-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001331519699 1389780663 /nfs/dbraw/zinc/78/06/63/1389780663.db2.gz PYVNTAYTKXCSAL-IRXDYDNUSA-N 2 0 331.504 3.059 10 0 EGAERP C[C@H](CN(C)C(=O)CC1CC[NH+](C)CC1)[NH2+]CCCC1CCCC1 ZINC001331577042 1389811369 /nfs/dbraw/zinc/81/13/69/1389811369.db2.gz ZTPNNAWYOZGRBB-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]21 ZINC001332141966 1390005368 /nfs/dbraw/zinc/00/53/68/1390005368.db2.gz UDEJRMCFPINWSE-IPMKNSEASA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCn2ccnc2)CCC[N@@H+]1CCC1CCCCC1 ZINC001332201775 1390037682 /nfs/dbraw/zinc/03/76/82/1390037682.db2.gz XFKZAPYOBUGJKM-HKUYNNGSSA-N 2 0 346.519 3.213 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@@H]1C ZINC001332207655 1390044203 /nfs/dbraw/zinc/04/42/03/1390044203.db2.gz RYDRNQJCCUXZES-AQIYZVDXSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001332215387 1390046815 /nfs/dbraw/zinc/04/68/15/1390046815.db2.gz ARPVHZIXMNSAHP-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001332309538 1390083037 /nfs/dbraw/zinc/08/30/37/1390083037.db2.gz KIUHJUJCRLCDGQ-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)c1 ZINC001332414377 1390111015 /nfs/dbraw/zinc/11/10/15/1390111015.db2.gz XAEQSVWWCYMNMZ-MJGOQNOKSA-N 2 0 345.531 3.143 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCCC4(CC[NH2+]CC4)C3)n2)c1 ZINC001332423902 1390112921 /nfs/dbraw/zinc/11/29/21/1390112921.db2.gz HRZUOKFAXHQFAB-UHFFFAOYSA-N 2 0 346.500 3.196 10 0 EGAERP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@H]2CC[C@@H](C(F)(F)F)O2)n1 ZINC001333138122 1390254533 /nfs/dbraw/zinc/25/45/33/1390254533.db2.gz LDRIGRKIVGPZCN-ZNMIVQPWSA-N 2 0 343.393 3.376 10 0 EGAERP c1cn2cc(CNC[C@H]3CC[N@H+](CCc4ccccc4)C3)sc2n1 ZINC001342912734 1390671697 /nfs/dbraw/zinc/67/16/97/1390671697.db2.gz BHJHMSYLNJMCNL-QGZVFWFLSA-N 2 0 340.496 3.050 10 0 EGAERP CCO[C@H](C(=O)Nc1c[nH+]ccc1-n1ccnc1C)C1CCCC1 ZINC001335507414 1390695575 /nfs/dbraw/zinc/69/55/75/1390695575.db2.gz REMRHVSKIYGDCK-KRWDZBQOSA-N 2 0 328.416 3.110 10 0 EGAERP C[NH+](C)CCC(=O)NCC1([NH2+]Cc2ccccc2C2CC2)CCCC1 ZINC001698801190 1406477512 /nfs/dbraw/zinc/47/75/12/1406477512.db2.gz IMYGPJRTARPALH-UHFFFAOYSA-N 2 0 343.515 3.034 10 0 EGAERP CC[C@@H](C)C[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001698802534 1406480901 /nfs/dbraw/zinc/48/09/01/1406480901.db2.gz GDWUWOMWJGMUDR-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(C)(C)[NH2+]C(C)(C)C2)o1 ZINC001348211833 1391186710 /nfs/dbraw/zinc/18/67/10/1391186710.db2.gz DNIQHOUUHQASOS-UHFFFAOYSA-N 2 0 335.492 3.114 10 0 EGAERP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[C@@H]2C[C@H](C)C[N@H+]2C1 ZINC001349929901 1391387011 /nfs/dbraw/zinc/38/70/11/1391387011.db2.gz LQMCBKPJWKDSJO-BMGDILEWSA-N 2 0 329.488 3.116 10 0 EGAERP C[NH+](C)CCc1ccccc1NC(=O)N1CCC(C)(C)[NH2+]C(C)(C)C1 ZINC001350083122 1391408518 /nfs/dbraw/zinc/40/85/18/1391408518.db2.gz CYQLKARTXNTCGB-UHFFFAOYSA-N 2 0 346.519 3.175 10 0 EGAERP C[C@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827693 1406520626 /nfs/dbraw/zinc/52/06/26/1406520626.db2.gz HGHLGUNBHYSRNI-YLJYHZDGSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@H](C(=O)N(C)[C@@H](C)C[NH2+]CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001698849838 1406551623 /nfs/dbraw/zinc/55/16/23/1406551623.db2.gz WVOROHWBPINCBQ-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[NH+]3CCCC3)C2)CC1 ZINC001479502566 1392259267 /nfs/dbraw/zinc/25/92/67/1392259267.db2.gz JZPJKVWBOCAPAO-VZSQWMKGSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001479523919 1392268031 /nfs/dbraw/zinc/26/80/31/1392268031.db2.gz GIOPZSQWNXTWRW-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001479688490 1392320335 /nfs/dbraw/zinc/32/03/35/1392320335.db2.gz RTJHYAQBWXLYHT-XFHJGTJQSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCCCC[C@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC001479695044 1392326094 /nfs/dbraw/zinc/32/60/94/1392326094.db2.gz UJGVSVCBCQIFEJ-PMACEKPBSA-N 2 0 345.531 3.449 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[N@H+](C)C1CCC1 ZINC001479823630 1392412991 /nfs/dbraw/zinc/41/29/91/1392412991.db2.gz KRLMTFZDBVHFIL-UCHJRYNZSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@H](C)[NH2+]CC1CC2(CCC2)C1 ZINC001479829697 1392416327 /nfs/dbraw/zinc/41/63/27/1392416327.db2.gz CPQIZUVCHIYRRP-PKOBYXMFSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCCN1C(=O)CCC[NH+](C)C ZINC001479830297 1392416972 /nfs/dbraw/zinc/41/69/72/1392416972.db2.gz PSGYAPVEXPLLPB-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc(C[N@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001479913142 1392480611 /nfs/dbraw/zinc/48/06/11/1392480611.db2.gz PMKISBHJLHPLDV-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001479984278 1392516768 /nfs/dbraw/zinc/51/67/68/1392516768.db2.gz RKAKFEVXLIFUHW-FHWLQOOXSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001479984372 1392516868 /nfs/dbraw/zinc/51/68/68/1392516868.db2.gz BCASLODZGNEBOM-DVBCCOPCSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001479986873 1392519201 /nfs/dbraw/zinc/51/92/01/1392519201.db2.gz SKXXWSQOBOXWPR-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479987535 1392519816 /nfs/dbraw/zinc/51/98/16/1392519816.db2.gz FOQUMSDBFURUFM-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480084402 1392573960 /nfs/dbraw/zinc/57/39/60/1392573960.db2.gz IXCMEAXABXTTPC-PMACEKPBSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001480103576 1392586709 /nfs/dbraw/zinc/58/67/09/1392586709.db2.gz UMZLKEHPHVBTGU-ZCNNSNEGSA-N 2 0 343.515 3.153 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001480272252 1392655503 /nfs/dbraw/zinc/65/55/03/1392655503.db2.gz PPYNJUQVKGKEPN-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001480285415 1392659553 /nfs/dbraw/zinc/65/95/53/1392659553.db2.gz IAMSZBDWUNMGKY-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H]1CCC[NH+]1CC ZINC001480373646 1392716172 /nfs/dbraw/zinc/71/61/72/1392716172.db2.gz RCUJUBRMOSDPPA-MOPGFXCFSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@H](NC(=O)CC[NH+](C)C)[C@@H]1CCC[N@H+](CCC2CCCCC2)C1 ZINC001480384574 1392728886 /nfs/dbraw/zinc/72/88/86/1392728886.db2.gz WVUZHQIXOYUJNI-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001480703111 1392866618 /nfs/dbraw/zinc/86/66/18/1392866618.db2.gz WDMCWUHYEQNZKU-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480705705 1392868556 /nfs/dbraw/zinc/86/85/56/1392868556.db2.gz UGFZJIGNOBCPJE-HKVCONOFSA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001480705706 1392868816 /nfs/dbraw/zinc/86/88/16/1392868816.db2.gz UGFZJIGNOBCPJE-LSLCWXNRSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](CCNC(=O)CC1CC[NH+](C)CC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001480793677 1392936840 /nfs/dbraw/zinc/93/68/40/1392936840.db2.gz JVKLXPPTRMBSAF-QGZVFWFLSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001480830434 1392970441 /nfs/dbraw/zinc/97/04/41/1392970441.db2.gz VZUIVTMSRJZMET-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP CC1CC(C[N@@H+]2CCC[C@H]2CCCNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480832383 1392973235 /nfs/dbraw/zinc/97/32/35/1392973235.db2.gz XMBAUEBSQHSXEF-SOAGJPPSSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)CCC1=CCCCC1 ZINC001480934925 1393030714 /nfs/dbraw/zinc/03/07/14/1393030714.db2.gz SERFJQJSZGROCT-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CCC(C)C ZINC001480995696 1393076299 /nfs/dbraw/zinc/07/62/99/1393076299.db2.gz YXYQWLYBXMIPEC-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)[C@@H](C)c1ccccc1 ZINC001481019556 1393096226 /nfs/dbraw/zinc/09/62/26/1393096226.db2.gz XEZAHXRFDQRTHK-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)CCC[NH+](C)C)C2)c1 ZINC001481108125 1393121574 /nfs/dbraw/zinc/12/15/74/1393121574.db2.gz PPYHFGNSXRSUKE-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP C[C@H]([NH2+]CC1=CCCCC1)[C@@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001698934493 1406672999 /nfs/dbraw/zinc/67/29/99/1406672999.db2.gz XYCDFJBSYUXTIN-PKOBYXMFSA-N 2 0 347.547 3.045 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1 ZINC001481406034 1394259805 /nfs/dbraw/zinc/25/98/05/1394259805.db2.gz OEYQHNAUDOXILX-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP CC/C=C\CC[NH+]1CC(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001481633579 1394426178 /nfs/dbraw/zinc/42/61/78/1394426178.db2.gz ZLVASSKOKDQTLO-SREVYHEPSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccccc1C[N@H+]1CCC[C@@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001491125658 1394442227 /nfs/dbraw/zinc/44/22/27/1394442227.db2.gz NRPLCCIPLPNODR-IBGZPJMESA-N 2 0 345.531 3.055 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001491132353 1394446657 /nfs/dbraw/zinc/44/66/57/1394446657.db2.gz BVVAUGOEKTUEAR-GNAXCBTBSA-N 2 0 335.536 3.047 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001481748404 1394493789 /nfs/dbraw/zinc/49/37/89/1394493789.db2.gz XBUZDXYKKPMSDB-AZUAARDMSA-N 2 0 345.531 3.321 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001491260186 1394494605 /nfs/dbraw/zinc/49/46/05/1394494605.db2.gz GSFFAQUEGUACQP-DCWZWWHRSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481753326 1394497390 /nfs/dbraw/zinc/49/73/90/1394497390.db2.gz SJIQYVRHZWXQCB-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCCC2CCCC2)C2CC2)CC1 ZINC001481941298 1394608415 /nfs/dbraw/zinc/60/84/15/1394608415.db2.gz QPCBDGKRNBBEHN-NRFANRHFSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]1(C[NH2+]CC2=CCCCC2)CCCC[C@@H]1C ZINC001481960270 1394620919 /nfs/dbraw/zinc/62/09/19/1394620919.db2.gz GILWWRQUWFBRIQ-RXVVDRJESA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482390828 1394951356 /nfs/dbraw/zinc/95/13/56/1394951356.db2.gz IGNMMFYNONDHPQ-ICSRJNTNSA-N 2 0 349.563 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)CC(C)C ZINC001482400001 1394960908 /nfs/dbraw/zinc/96/09/08/1394960908.db2.gz DIRRQUDFFHYXBC-ROUUACIJSA-N 2 0 339.568 3.418 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CC(C)(C)C2)C2CCCCC2)C1 ZINC001482413427 1394977263 /nfs/dbraw/zinc/97/72/63/1394977263.db2.gz NSSGRLLTFPHECE-MOPGFXCFSA-N 2 0 349.563 3.029 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCCC1CCC1 ZINC001482447138 1395006070 /nfs/dbraw/zinc/00/60/70/1395006070.db2.gz ZZQSEDRZMWUONR-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482463902 1395020802 /nfs/dbraw/zinc/02/08/02/1395020802.db2.gz XAWDDPFMKGVOQZ-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]([C@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001482478236 1395032207 /nfs/dbraw/zinc/03/22/07/1395032207.db2.gz LFFCCYCGPLLNBZ-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001482481647 1395035587 /nfs/dbraw/zinc/03/55/87/1395035587.db2.gz PAGSKPWYZCTBLK-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001483914006 1395142458 /nfs/dbraw/zinc/14/24/58/1395142458.db2.gz LNWCLTFWRFIEMP-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001483932556 1395150098 /nfs/dbraw/zinc/15/00/98/1395150098.db2.gz JZMIZEBRPUGXGE-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001483934415 1395151075 /nfs/dbraw/zinc/15/10/75/1395151075.db2.gz PQFZHPUAFYFMCP-RBUKOAKNSA-N 2 0 335.536 3.164 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCCN1C(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC001483951373 1395159264 /nfs/dbraw/zinc/15/92/64/1395159264.db2.gz CKPAIWWBYNTTQT-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C)CC[NH+](CCC3CCCCC3)CC2)CC1 ZINC001483971674 1395170141 /nfs/dbraw/zinc/17/01/41/1395170141.db2.gz CVODCJPESWKPTR-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001484062019 1395226017 /nfs/dbraw/zinc/22/60/17/1395226017.db2.gz ZPNYQFMDQHKXTA-YJJPMGAVSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@](C)(NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001484072549 1395234529 /nfs/dbraw/zinc/23/45/29/1395234529.db2.gz WZKYJQMLQCQXPO-BBIZLLLXSA-N 2 0 335.536 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CCC1CCCC1)C(C)C ZINC001698980787 1406758145 /nfs/dbraw/zinc/75/81/45/1406758145.db2.gz NCLNNDBZBIZYOL-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCC[NH+](CCC)C1 ZINC001484555903 1395436491 /nfs/dbraw/zinc/43/64/91/1395436491.db2.gz CIMWGYPPKWKOSB-FQEVSTJZSA-N 2 0 345.531 3.267 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001484560072 1395443381 /nfs/dbraw/zinc/44/33/81/1395443381.db2.gz CEUZZCDGDYHWJG-MRXNPFEDSA-N 2 0 331.504 3.095 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001484819537 1395553735 /nfs/dbraw/zinc/55/37/35/1395553735.db2.gz QEKDUSXGNNIILO-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CCC[N@@H+]1Cc2ccccc2C[C@H]1CNC(=O)[C@@H](CC)[NH+](CC)CC ZINC001484825902 1395561024 /nfs/dbraw/zinc/56/10/24/1395561024.db2.gz XRYSSKDXGNWSBT-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484832823 1395570345 /nfs/dbraw/zinc/57/03/45/1395570345.db2.gz WDTFJHORXDVGMY-NJRZHNRPSA-N 2 0 349.563 3.389 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@H]([C@@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001485082150 1395651514 /nfs/dbraw/zinc/65/15/14/1395651514.db2.gz MLXGTZPQNHOEIZ-GLCUZYPYSA-N 2 0 349.563 3.245 10 0 EGAERP CCC/C=C/CC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001485095056 1395657830 /nfs/dbraw/zinc/65/78/30/1395657830.db2.gz XKHQSMSUVOJCMY-SNAWJCMRSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001485227109 1395721873 /nfs/dbraw/zinc/72/18/73/1395721873.db2.gz VAISQQOVYFYLTD-ZWKOTPCHSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCC(C)(C)C ZINC001485357699 1395832441 /nfs/dbraw/zinc/83/24/41/1395832441.db2.gz LIKWQANXDWUZJX-SJORKVTESA-N 2 0 325.541 3.122 10 0 EGAERP C[N@H+](CC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1)C1CCC1 ZINC001485450105 1395917639 /nfs/dbraw/zinc/91/76/39/1395917639.db2.gz ZUJLSBXZKYFYHJ-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1cc(C)cc(C)c1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001485471170 1395945859 /nfs/dbraw/zinc/94/58/59/1395945859.db2.gz DHRGIZIENFCEJX-PMACEKPBSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1C[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001485582621 1396059110 /nfs/dbraw/zinc/05/91/10/1396059110.db2.gz RYQRKZUZSKRTOE-RTBURBONSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@H](C(=O)N[C@@H](C)CCC[NH2+]Cc1ccccc1)[NH+]1CCCCCC1 ZINC001485740654 1396127797 /nfs/dbraw/zinc/12/77/97/1396127797.db2.gz RHAKDZWBVVFPEO-RBUKOAKNSA-N 2 0 345.531 3.326 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485742929 1396128375 /nfs/dbraw/zinc/12/83/75/1396128375.db2.gz UTISKQLBJGOZES-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[NH2+]CCC[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001485779345 1396148831 /nfs/dbraw/zinc/14/88/31/1396148831.db2.gz ATBWWGFOMSZZIH-IHPCNDPISA-N 2 0 345.531 3.354 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001486146772 1396179961 /nfs/dbraw/zinc/17/99/61/1396179961.db2.gz LFLHVGSHIAQGHN-FPOVZHCZSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2CN(C(=O)CC[NH+](C)C)CC2(C)C)cc1 ZINC001486240072 1396187617 /nfs/dbraw/zinc/18/76/17/1396187617.db2.gz JBNSEPLCLGNSGM-IBGZPJMESA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CCCCC1 ZINC001503503177 1396257569 /nfs/dbraw/zinc/25/75/69/1396257569.db2.gz WMMUGSVCKIQMNB-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CCCC2CCC2)C1 ZINC001491966456 1396301564 /nfs/dbraw/zinc/30/15/64/1396301564.db2.gz ZFUPOBTZXWTETL-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]CC1CCC(C)(C)CC1 ZINC001492130134 1396306632 /nfs/dbraw/zinc/30/66/32/1396306632.db2.gz YFIUNUHCIGLBAA-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1cccc(F)c1)[NH+]1CCCC1 ZINC001492877991 1396327788 /nfs/dbraw/zinc/32/77/88/1396327788.db2.gz FHGQPUVMRWZXOW-VQIMIIECSA-N 2 0 349.494 3.055 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001494081739 1396356552 /nfs/dbraw/zinc/35/65/52/1396356552.db2.gz BZMLKLSSZYPCOO-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001494134303 1396377429 /nfs/dbraw/zinc/37/74/29/1396377429.db2.gz YDRKSAFKLFSQAY-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001494155052 1396387281 /nfs/dbraw/zinc/38/72/81/1396387281.db2.gz ASMAIHFHTGZARB-FHWLQOOXSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001496084260 1396598271 /nfs/dbraw/zinc/59/82/71/1396598271.db2.gz WARGGFORGQSBAN-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001496407490 1396694263 /nfs/dbraw/zinc/69/42/63/1396694263.db2.gz VHONSQNLKJXIGX-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)cc1C ZINC001496576196 1396717055 /nfs/dbraw/zinc/71/70/55/1396717055.db2.gz WTUYYHXSJCWBJX-WOJBJXKFSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCCCC1 ZINC001497278440 1396744263 /nfs/dbraw/zinc/74/42/63/1396744263.db2.gz WMBCHWDVOZCEJI-HKUYNNGSSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001699017254 1406850471 /nfs/dbraw/zinc/85/04/71/1406850471.db2.gz MQDRIAVLTCQFFE-UXHICEINSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001498158871 1396928252 /nfs/dbraw/zinc/92/82/52/1396928252.db2.gz JBRPNHFJQYKJIH-ADKAHSJRSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1cccc2ccccc21)NC(=O)C[NH+]1CCCC1 ZINC001498190301 1396933989 /nfs/dbraw/zinc/93/39/89/1396933989.db2.gz MSMBTRFAVXPWMO-IRXDYDNUSA-N 2 0 339.483 3.091 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001689267712 1396999118 /nfs/dbraw/zinc/99/91/18/1396999118.db2.gz PMMUXTVJEMONLT-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CCC(C)(C)C)C2)C1 ZINC001689271407 1397006193 /nfs/dbraw/zinc/00/61/93/1397006193.db2.gz IXYVNPLZCTZRNQ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC1CCCC1 ZINC001689302306 1397027313 /nfs/dbraw/zinc/02/73/13/1397027313.db2.gz GYTUYYSWRAAEEJ-APWZRJJASA-N 2 0 349.563 3.409 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001498489087 1397033640 /nfs/dbraw/zinc/03/36/40/1397033640.db2.gz VRZMPKMYEMOABT-RTBURBONSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001690170849 1404368502 /nfs/dbraw/zinc/36/85/02/1404368502.db2.gz BRBSEGCUXNKQMY-OALUTQOASA-N 2 0 349.563 3.170 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001690215678 1404424699 /nfs/dbraw/zinc/42/46/99/1404424699.db2.gz ZGPCVAZMJGIJDM-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001690317543 1404473457 /nfs/dbraw/zinc/47/34/57/1404473457.db2.gz HUHURLYCHFCYBD-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2C[NH+](CCC(C)C)CC[C@H]21 ZINC001690317857 1404474855 /nfs/dbraw/zinc/47/48/55/1404474855.db2.gz LRMSXBYMQQJBTR-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC001690318184 1404474868 /nfs/dbraw/zinc/47/48/68/1404474868.db2.gz QAQLIGRBMQGXGX-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001690367982 1404499615 /nfs/dbraw/zinc/49/96/15/1404499615.db2.gz IFSDLCJVHBDTDO-KDURUIRLSA-N 2 0 335.536 3.070 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001690383727 1404515326 /nfs/dbraw/zinc/51/53/26/1404515326.db2.gz VJLDEKKMAWQUDL-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001690475802 1404597611 /nfs/dbraw/zinc/59/76/11/1404597611.db2.gz DSXJBAKVNNHDOA-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+]C1CCC(NC(=O)CN(C)Cc2ccccc2)CC1 ZINC001690545917 1404628462 /nfs/dbraw/zinc/62/84/62/1404628462.db2.gz BVHPVUHYFZJUBE-UHFFFAOYSA-N 2 0 345.531 3.182 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001690616944 1404654923 /nfs/dbraw/zinc/65/49/23/1404654923.db2.gz SPHSRYWFRQDGLR-BQFCYCMXSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690788981 1404736174 /nfs/dbraw/zinc/73/61/74/1404736174.db2.gz YEBYAYRLYBFFLU-OALUTQOASA-N 2 0 335.536 3.234 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001690820156 1404755935 /nfs/dbraw/zinc/75/59/35/1404755935.db2.gz BOLAGSPWPTWKFU-OALUTQOASA-N 2 0 337.552 3.362 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001690881120 1404794391 /nfs/dbraw/zinc/79/43/91/1404794391.db2.gz JYJJCOJHCQKJQV-YLJYHZDGSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)CCNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001690998180 1404913932 /nfs/dbraw/zinc/91/39/32/1404913932.db2.gz FWBGUIQZGGBVHT-ROUUACIJSA-N 2 0 345.531 3.231 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1)Cc1ccccc1C ZINC001691055984 1404976944 /nfs/dbraw/zinc/97/69/44/1404976944.db2.gz KYFFIURUNDGXAA-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CN(C[C@@H]1CC[N@@H+]1CC1CCC(C)(C)CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001691067914 1404994293 /nfs/dbraw/zinc/99/42/93/1404994293.db2.gz CLZLVVUUGGGUIM-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001691230858 1405170308 /nfs/dbraw/zinc/17/03/08/1405170308.db2.gz SIJDTDXHJISOLH-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691304994 1405199150 /nfs/dbraw/zinc/19/91/50/1405199150.db2.gz IUJCMDKELQCCBV-ICSRJNTNSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CCN(C(=O)CCCC[NH+](C)C)[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001691378533 1405219824 /nfs/dbraw/zinc/21/98/24/1405219824.db2.gz KLEUVLBLPYNLCY-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1=CCCCC1)[NH+]1CCCC1 ZINC001691416911 1405255903 /nfs/dbraw/zinc/25/59/03/1405255903.db2.gz QWYKKWOLHIEBPY-WOJBJXKFSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)CC[NH2+]CCCC2CCCC2)CC1 ZINC001691538323 1405330448 /nfs/dbraw/zinc/33/04/48/1405330448.db2.gz MVWAQFDCARXWEG-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001691633201 1405370738 /nfs/dbraw/zinc/37/07/38/1405370738.db2.gz YJALUIVGPXGRIW-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)C1CCN(C(=O)CCCC[NH+](C)C)CC1 ZINC001691686453 1405421762 /nfs/dbraw/zinc/42/17/62/1405421762.db2.gz KKEFXRNOZRUCOF-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001691792387 1405501838 /nfs/dbraw/zinc/50/18/38/1405501838.db2.gz NHVQTIHJXHZWIM-SFHVURJKSA-N 2 0 331.504 3.108 10 0 EGAERP CCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691812230 1405524707 /nfs/dbraw/zinc/52/47/07/1405524707.db2.gz TXMSTJJVLYWNAO-GGPKGHCWSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](NC(=O)CC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001691822968 1405538369 /nfs/dbraw/zinc/53/83/69/1405538369.db2.gz GSDRLXOQQIVBRM-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H]1CCN(C(=O)CCC[NH+](C)C)[C@H](C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001691837698 1405549786 /nfs/dbraw/zinc/54/97/86/1405549786.db2.gz MUFOLDLFQOXNCP-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)C2CCC2)C1 ZINC001731416229 1427386495 /nfs/dbraw/zinc/38/64/95/1427386495.db2.gz KJCUOYALJFBPDJ-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001691867200 1405587236 /nfs/dbraw/zinc/58/72/36/1405587236.db2.gz OQWZZMIDYIUWJL-VQTJNVASSA-N 2 0 347.547 3.142 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001692128158 1405786998 /nfs/dbraw/zinc/78/69/98/1405786998.db2.gz HDHUFAHMYQFNOD-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCCN1C(=O)[C@H]1CCC[NH+]1C ZINC001692246369 1405869784 /nfs/dbraw/zinc/86/97/84/1405869784.db2.gz DNQZUCGJTZMDBU-VQTJNVASSA-N 2 0 347.547 3.284 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]C[C@H](C)CC)C1 ZINC001692332919 1405951772 /nfs/dbraw/zinc/95/17/72/1405951772.db2.gz IQWACMROMRYSDA-MSOLQXFVSA-N 2 0 325.541 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001692333269 1405952805 /nfs/dbraw/zinc/95/28/05/1405952805.db2.gz MJBQTJICRWOFDP-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1)[NH+]1CCCC1 ZINC001732021333 1428239054 /nfs/dbraw/zinc/23/90/54/1428239054.db2.gz FIGLLWSJGSDXFL-IBGZPJMESA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001732078482 1428331236 /nfs/dbraw/zinc/33/12/36/1428331236.db2.gz RNSMBZKFQJKZNM-IBGZPJMESA-N 2 0 345.531 3.188 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001732086699 1428347391 /nfs/dbraw/zinc/34/73/91/1428347391.db2.gz DQIQKGGPEXGBFK-INIZCTEOSA-N 2 0 349.494 3.009 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001732147768 1428391687 /nfs/dbraw/zinc/39/16/87/1428391687.db2.gz BVVLMFXHQXPRLS-WLMAVBAVSA-N 2 0 347.547 3.140 10 0 EGAERP CN(C(=O)CCC[NH+]1CCCC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001732175003 1428420868 /nfs/dbraw/zinc/42/08/68/1428420868.db2.gz FKVAWTWBAYIOCU-FQEVSTJZSA-N 2 0 347.547 3.286 10 0 EGAERP Cc1ccccc1C[NH2+]CCC1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001732298966 1428518697 /nfs/dbraw/zinc/51/86/97/1428518697.db2.gz MLRCWXJWASMILR-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001732311289 1428524232 /nfs/dbraw/zinc/52/42/32/1428524232.db2.gz YYXPKXJTQHCXLK-MKXGPGLRSA-N 2 0 335.536 3.211 10 0 EGAERP C[C@H](F)CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001732311937 1428524662 /nfs/dbraw/zinc/52/46/62/1428524662.db2.gz JBGSAUAAHPNSQM-SNRMKQJTSA-N 2 0 349.494 3.127 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001732312229 1428524872 /nfs/dbraw/zinc/52/48/72/1428524872.db2.gz SOGTWYCFNOXLQD-NCXUSEDFSA-N 2 0 335.536 3.066 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C[NH2+]CCC2CCCC2)cc1 ZINC001732314951 1428526832 /nfs/dbraw/zinc/52/68/32/1428526832.db2.gz PLJMRSKEHQBYQJ-FQEVSTJZSA-N 2 0 343.515 3.067 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001732328733 1428535622 /nfs/dbraw/zinc/53/56/22/1428535622.db2.gz OCNJXBBLSKZECV-NYQZOWANSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001732330310 1428536694 /nfs/dbraw/zinc/53/66/94/1428536694.db2.gz YQZHUHAWUUZUDU-BGEOSOQGSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001732396573 1428563978 /nfs/dbraw/zinc/56/39/78/1428563978.db2.gz DBZFPZWZEXFAMN-ZWKOTPCHSA-N 2 0 335.536 3.068 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001732425328 1428575946 /nfs/dbraw/zinc/57/59/46/1428575946.db2.gz QNUAKJJGIYJVGD-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)C[C@@H](C[NH2+]Cc1ccccc1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001732467421 1428597028 /nfs/dbraw/zinc/59/70/28/1428597028.db2.gz XJHKXSAEEXUMHH-IBGZPJMESA-N 2 0 345.531 3.182 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001732497820 1428619607 /nfs/dbraw/zinc/61/96/07/1428619607.db2.gz FKUCBVPTONRJQJ-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1CC[NH2+]CC1CCCCC1 ZINC001732518819 1428637687 /nfs/dbraw/zinc/63/76/87/1428637687.db2.gz KYMFNOPFGMMLJP-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732532379 1428653384 /nfs/dbraw/zinc/65/33/84/1428653384.db2.gz OUHZRFHLQVANDP-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001732532380 1428653489 /nfs/dbraw/zinc/65/34/89/1428653489.db2.gz OUHZRFHLQVANDP-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001732532712 1428653502 /nfs/dbraw/zinc/65/35/02/1428653502.db2.gz QGVFXJPTPCVDOF-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](CC[NH2+]Cc1ccccc1C1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001699114381 1412516564 /nfs/dbraw/zinc/51/65/64/1412516564.db2.gz GIXATDIWVCLFBK-OXQOHEQNSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@@H](CC[NH2+]CCC(C)(C)C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699139823 1412530702 /nfs/dbraw/zinc/53/07/02/1412530702.db2.gz BOCQXEZVPZEHSW-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001699159126 1412543701 /nfs/dbraw/zinc/54/37/01/1412543701.db2.gz LVXUBJOMBBCRBN-LJQANCHMSA-N 2 0 345.531 3.164 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188364 1412560865 /nfs/dbraw/zinc/56/08/65/1412560865.db2.gz JIFLHQTYUUYPAH-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@H](C)NC(=O)CC[C@H]2CCC[NH+]2C)cc1 ZINC001699455082 1412799185 /nfs/dbraw/zinc/79/91/85/1412799185.db2.gz QDFQYRBTZNFPMR-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCC[N@H+]2C(C)C)cc1C ZINC001699506155 1412895862 /nfs/dbraw/zinc/89/58/62/1412895862.db2.gz GUBVDURNQUQANT-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CCC1 ZINC001699507813 1412896636 /nfs/dbraw/zinc/89/66/36/1412896636.db2.gz JMIXCGDCKODEBM-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]CCCN(C)C(=O)C23CCC[NH+]2CCC3)C1 ZINC001699538485 1412912941 /nfs/dbraw/zinc/91/29/41/1412912941.db2.gz MMGYVPZJDMQWEB-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001699539976 1412913736 /nfs/dbraw/zinc/91/37/36/1412913736.db2.gz ZUYJETWLBBAPJC-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H](C[NH2+]CCC2CCCCCC2)C2CC2)CC1 ZINC001699592355 1412951839 /nfs/dbraw/zinc/95/18/39/1412951839.db2.gz HCCYMGKUWDTHRB-HXUWFJFHSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NCC1([NH2+]CCC(C)(C)C)CC1)c1ccccc1 ZINC001699669021 1413057510 /nfs/dbraw/zinc/05/75/10/1413057510.db2.gz UHRDSKGCGXAJLK-SFHVURJKSA-N 2 0 345.531 3.354 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2C[C@@H](C)CC(C)C ZINC001699693231 1413099788 /nfs/dbraw/zinc/09/97/88/1413099788.db2.gz SSHDBOPVSOQSLH-GBESFXJTSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)CCN1C(=O)CCC[NH+](C)C ZINC001699738976 1413150049 /nfs/dbraw/zinc/15/00/49/1413150049.db2.gz SFBDYMJHMXRUQB-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699754518 1413161482 /nfs/dbraw/zinc/16/14/82/1413161482.db2.gz AEWQPBJWNSTYIZ-VOFKWLDRSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001699805151 1413217938 /nfs/dbraw/zinc/21/79/38/1413217938.db2.gz MTBSMKHXTRAINC-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001699806844 1413220934 /nfs/dbraw/zinc/22/09/34/1413220934.db2.gz UOMVPAHHAVACGV-YEFOHOTDSA-N 2 0 347.547 3.143 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001699819016 1413238414 /nfs/dbraw/zinc/23/84/14/1413238414.db2.gz QBQZRHWOKJLVEY-RRFGBZISSA-N 2 0 340.471 3.193 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CC2CCCCC2)C3)CCC1 ZINC001699928477 1413368639 /nfs/dbraw/zinc/36/86/39/1413368639.db2.gz UECLYXAPEOHDPU-FHWLQOOXSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001699943768 1413387351 /nfs/dbraw/zinc/38/73/51/1413387351.db2.gz KAXSIXBGCMBZEM-RTBURBONSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1CN(C(=O)C[NH+]2CCCC2)C[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001699970951 1413409330 /nfs/dbraw/zinc/40/93/30/1413409330.db2.gz RGNWBFYXSLMMGA-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@H]3[C@@H]2CCCN3C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001700012245 1413455595 /nfs/dbraw/zinc/45/55/95/1413455595.db2.gz LYWLWXASOBJQIC-BTRQGYIVSA-N 2 0 349.563 3.076 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001700068764 1413484181 /nfs/dbraw/zinc/48/41/81/1413484181.db2.gz YDLBIPVRBIYGSG-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001700094190 1413508653 /nfs/dbraw/zinc/50/86/53/1413508653.db2.gz GZDXVZVAHHMSLP-IRXDYDNUSA-N 2 0 345.531 3.341 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001700124964 1413540765 /nfs/dbraw/zinc/54/07/65/1413540765.db2.gz JSGDFNWEKXHOKD-YSKLNCTFSA-N 2 0 335.536 3.186 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2CC3(CCC3)C2)CCC1 ZINC001700142788 1413564840 /nfs/dbraw/zinc/56/48/40/1413564840.db2.gz FCALVMYTXNHTAY-GOSISDBHSA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCC1 ZINC001700158499 1413571335 /nfs/dbraw/zinc/57/13/35/1413571335.db2.gz WSCSVVFIVCWYKB-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700199723 1413643357 /nfs/dbraw/zinc/64/33/57/1413643357.db2.gz ZCNGJDFIXRKWRN-OALUTQOASA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557894 1428746379 /nfs/dbraw/zinc/74/63/79/1428746379.db2.gz HTSRRDXTWLWGEW-RBUKOAKNSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001700231037 1413689141 /nfs/dbraw/zinc/68/91/41/1413689141.db2.gz XBCXYIHXXLGBID-OAQYLSRUSA-N 2 0 349.563 3.367 10 0 EGAERP CC1([NH2+]CCC2=CCCCC2)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001700281049 1413725973 /nfs/dbraw/zinc/72/59/73/1413725973.db2.gz HSCSSKXBOYOVKL-UHFFFAOYSA-N 2 0 344.503 3.204 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCC(C)([NH2+]C[C@H](C)CC)CC2)C1 ZINC001700282549 1413728262 /nfs/dbraw/zinc/72/82/62/1413728262.db2.gz TZCPOPFSTCQQDC-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001700286461 1413733828 /nfs/dbraw/zinc/73/38/28/1413733828.db2.gz UPTXBRKUGDKVAF-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]C1(C)CCN(C(=O)c2ccc(C[NH+](CC)CC)o2)CC1 ZINC001700288382 1413737095 /nfs/dbraw/zinc/73/70/95/1413737095.db2.gz WZLPKRDKZZRIAC-UHFFFAOYSA-N 2 0 335.492 3.116 10 0 EGAERP CC1([NH2+]CCC2CCCCC2)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001700289208 1413738236 /nfs/dbraw/zinc/73/82/36/1413738236.db2.gz CBUUAOBKIROMLP-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CC[C@@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700291940 1413745984 /nfs/dbraw/zinc/74/59/84/1413745984.db2.gz LMHYEOLFQVECEP-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C\c2ccccc2)[C@H](C)C1 ZINC001700324071 1413792916 /nfs/dbraw/zinc/79/29/16/1413792916.db2.gz RMRLHQBZUJBXIW-NCJCTJFTSA-N 2 0 343.515 3.009 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([C@H]2CCC[N@H+](CC3CC3)C2)CC1 ZINC001700361247 1413874608 /nfs/dbraw/zinc/87/46/08/1413874608.db2.gz ABQJEFUJRPJXIE-FQEVSTJZSA-N 2 0 349.563 3.079 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)CCCC1CCCC1 ZINC001700463328 1414066051 /nfs/dbraw/zinc/06/60/51/1414066051.db2.gz GMSXMLVIDGGXBE-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[N@H+](C)CCC1CCCCC1 ZINC001700479809 1414112444 /nfs/dbraw/zinc/11/24/44/1414112444.db2.gz CIUWJZCUOGRFCR-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@H]2CCCC[N@H+]2CC)c1 ZINC001700487625 1414136187 /nfs/dbraw/zinc/13/61/87/1414136187.db2.gz MJPZCJWGRQPDIA-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CCCC[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001700517191 1414169869 /nfs/dbraw/zinc/16/98/69/1414169869.db2.gz JJTCHCPRLKMRSM-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700521563 1414177474 /nfs/dbraw/zinc/17/74/74/1414177474.db2.gz PPPAVACESSHUOD-QZTJIDSGSA-N 2 0 349.563 3.458 10 0 EGAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732582169 1428788773 /nfs/dbraw/zinc/78/87/73/1428788773.db2.gz WETLAHLTZPTHAZ-UHFFFAOYSA-N 2 0 325.541 3.077 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](Cc2ccc(C)cc2)CC1(C)C ZINC001700578206 1414255131 /nfs/dbraw/zinc/25/51/31/1414255131.db2.gz NAGFROSMGMIQQR-LJQANCHMSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001700579475 1414256669 /nfs/dbraw/zinc/25/66/69/1414256669.db2.gz VZTOYTIUBVTKNF-MJGOQNOKSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N[C@H]1C[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001700645477 1414310236 /nfs/dbraw/zinc/31/02/36/1414310236.db2.gz HNKDKTUGTPTOIM-BMOGMMAESA-N 2 0 347.547 3.234 10 0 EGAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001732585415 1428798247 /nfs/dbraw/zinc/79/82/47/1428798247.db2.gz MPAYMSJVRFRZRX-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)[C@H](C[NH2+]CCC2CCCC2)C2CC2)CC[N@@H+]1C ZINC001700721648 1414381975 /nfs/dbraw/zinc/38/19/75/1414381975.db2.gz NIKYWPQHDNJSJR-XUVXKRRUSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CCC1CCCCCC1 ZINC001700751676 1414421135 /nfs/dbraw/zinc/42/11/35/1414421135.db2.gz INKGNKWFERIAOR-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001700755336 1414425768 /nfs/dbraw/zinc/42/57/68/1414425768.db2.gz KEZZJGQRJGUJEY-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001700841696 1414491903 /nfs/dbraw/zinc/49/19/03/1414491903.db2.gz LSTUWRKRAGTXMM-ZWKOTPCHSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001700862130 1414511412 /nfs/dbraw/zinc/51/14/12/1414511412.db2.gz ANQMIJKPEOJVOY-YLJYHZDGSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCC1CCC1)CC2 ZINC001700868204 1414520850 /nfs/dbraw/zinc/52/08/50/1414520850.db2.gz QDYAPFAVIPJCFS-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@]12CCC[C@@H]1[NH+](CCCC1CCC1)CC2 ZINC001700868205 1414520923 /nfs/dbraw/zinc/52/09/23/1414520923.db2.gz QDYAPFAVIPJCFS-ICSRJNTNSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001700875654 1414530256 /nfs/dbraw/zinc/53/02/56/1414530256.db2.gz SZPWYUWPFDVKIS-XUVXKRRUSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001700925515 1414578579 /nfs/dbraw/zinc/57/85/79/1414578579.db2.gz BSVOPOKOLVFROT-LJQANCHMSA-N 2 0 343.515 3.155 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001701006347 1414662195 /nfs/dbraw/zinc/66/21/95/1414662195.db2.gz FKKGVZGVTPDHHR-QZTJIDSGSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCC([C@@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001701006346 1414662420 /nfs/dbraw/zinc/66/24/20/1414662420.db2.gz FKKGVZGVTPDHHR-MSOLQXFVSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC1=CC[NH+](CCCC(C)(C)C)CC1 ZINC001701047934 1414704680 /nfs/dbraw/zinc/70/46/80/1414704680.db2.gz RFLHAEYESXSQPB-LJQANCHMSA-N 2 0 349.563 3.434 10 0 EGAERP CN(CC[N@H+](C)[C@H]1CCCc2ccccc21)C(=O)CCCC[NH+](C)C ZINC001732596266 1428833394 /nfs/dbraw/zinc/83/33/94/1428833394.db2.gz BGPABXAXZFJGFQ-FQEVSTJZSA-N 2 0 345.531 3.186 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001732852570 1429009907 /nfs/dbraw/zinc/00/99/07/1429009907.db2.gz SBLHNLWQNQNSGT-ZMBJWTFHSA-N 2 0 349.563 3.338 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]Cc2cc(C)cc(C)c2)C1 ZINC001733009376 1429129510 /nfs/dbraw/zinc/12/95/10/1429129510.db2.gz IBPLFMMRUUSELB-ICSRJNTNSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]C/C=C\c1ccccc1 ZINC001733014004 1429133758 /nfs/dbraw/zinc/13/37/58/1429133758.db2.gz VDHDSLOQXLZKLC-GBOJCQPWSA-N 2 0 343.515 3.057 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2C[C@@H]([NH2+]CC3CCC(C)(C)CC3)C2)C1 ZINC001707076960 1417187247 /nfs/dbraw/zinc/18/72/47/1417187247.db2.gz LIGIIRCEEGTGJA-QRVBRYPASA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@H]2C[C@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001707091117 1417196950 /nfs/dbraw/zinc/19/69/50/1417196950.db2.gz PIBDZUXCBPYHRI-MXVIHJGJSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707146675 1417221724 /nfs/dbraw/zinc/22/17/24/1417221724.db2.gz VSZMPKXIUFQFSE-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@H]2CCC[N@H+](CC3CCCCC3)[C@H]2C1(C)C ZINC001707184696 1417234617 /nfs/dbraw/zinc/23/46/17/1417234617.db2.gz IJKRIVQNFFWKBU-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)[C@H]1CC ZINC001707204046 1417243702 /nfs/dbraw/zinc/24/37/02/1417243702.db2.gz HQYBKURPIAFMII-HOHRJFBBSA-N 2 0 335.536 3.044 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001707205174 1417244440 /nfs/dbraw/zinc/24/44/40/1417244440.db2.gz OFPRBHYKOAISBR-PXIXMTEYSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001707252043 1417267162 /nfs/dbraw/zinc/26/71/62/1417267162.db2.gz JOHDPYZPDVIPLH-QAPCUYQASA-N 2 0 335.536 3.019 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CN(C)Cc2ccccc2)[C@H]1C ZINC001707268709 1417276022 /nfs/dbraw/zinc/27/60/22/1417276022.db2.gz BDVZREQKYJCVNZ-OANMOWAGSA-N 2 0 343.515 3.054 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC(C)(C)C1 ZINC001707281279 1417291764 /nfs/dbraw/zinc/29/17/64/1417291764.db2.gz HMXSGISWRUBSMF-RBUKOAKNSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001707440385 1417344401 /nfs/dbraw/zinc/34/44/01/1417344401.db2.gz VARUAIOZXDHSRX-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)C1CC1 ZINC001707481907 1417377884 /nfs/dbraw/zinc/37/78/84/1417377884.db2.gz XBVPHWKDSHVRPM-QGZVFWFLSA-N 2 0 343.515 3.203 10 0 EGAERP CC(C)C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)C1CC1 ZINC001707481927 1417378177 /nfs/dbraw/zinc/37/81/77/1417378177.db2.gz XINVIONFNNDDQP-IBGZPJMESA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713005164 1417559248 /nfs/dbraw/zinc/55/92/48/1417559248.db2.gz XVKSBUARYYQTHH-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713005166 1417559508 /nfs/dbraw/zinc/55/95/08/1417559508.db2.gz XVKSBUARYYQTHH-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713016773 1417569323 /nfs/dbraw/zinc/56/93/23/1417569323.db2.gz IIGAFOQLJNHTMV-HNNXBMFYSA-N 2 0 330.476 3.131 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001713057142 1417611653 /nfs/dbraw/zinc/61/16/53/1417611653.db2.gz YUFKJIWMKIRAFS-IKSUFZCESA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC(C)(C)C)C1CC1 ZINC001713113017 1417676109 /nfs/dbraw/zinc/67/61/09/1417676109.db2.gz ULZBYSXIYPPGKE-ZWKOTPCHSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CCC2CCCCC2)C2CC2)CC1 ZINC001713122320 1417688726 /nfs/dbraw/zinc/68/87/26/1417688726.db2.gz XBARLSXBTISTNJ-HXUWFJFHSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713133264 1417709545 /nfs/dbraw/zinc/70/95/45/1417709545.db2.gz QBBYXUNPGFUJCI-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001713143955 1417726291 /nfs/dbraw/zinc/72/62/91/1417726291.db2.gz QHRDPRBGLOODQD-GGJLBNBESA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)(C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001713191450 1417764534 /nfs/dbraw/zinc/76/45/34/1417764534.db2.gz CRSORNNHFJUZNK-KDURUIRLSA-N 2 0 349.563 3.458 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001713193934 1417765886 /nfs/dbraw/zinc/76/58/86/1417765886.db2.gz PLLDBXUZXQHRFR-SCTDSRPQSA-N 2 0 335.536 3.066 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+][C@@H](C)c2cccc(F)c2)C1)[NH+](CC)CC ZINC001713201460 1417771702 /nfs/dbraw/zinc/77/17/02/1417771702.db2.gz UABCROADFGVBMX-WQANXHIZSA-N 2 0 349.494 3.244 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001713233384 1417819711 /nfs/dbraw/zinc/81/97/11/1417819711.db2.gz QKQFKEUMBNTQES-MJRGOJFPSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001713240275 1417826328 /nfs/dbraw/zinc/82/63/28/1417826328.db2.gz GHGSIYRAOQJPHC-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CCCN(C(=O)CCCC[NH+](C)C)C1)c1ccccc1 ZINC001713244456 1417831077 /nfs/dbraw/zinc/83/10/77/1417831077.db2.gz OVWXUUYKZGOBFM-OALUTQOASA-N 2 0 345.531 3.308 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001713245319 1417831784 /nfs/dbraw/zinc/83/17/84/1417831784.db2.gz AQFDFDZRIKLBJE-GNAXCBTBSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001713278911 1417902802 /nfs/dbraw/zinc/90/28/02/1417902802.db2.gz JDBOOOUYSWMZCG-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH2+]CCCC(C)(C)C ZINC001713321138 1417945906 /nfs/dbraw/zinc/94/59/06/1417945906.db2.gz IXNJFCHVBBVRAA-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713344567 1417965729 /nfs/dbraw/zinc/96/57/29/1417965729.db2.gz SIBICBIKAYLEKH-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381384 1417991933 /nfs/dbraw/zinc/99/19/33/1417991933.db2.gz IXKFHOOJSXCRQC-OALUTQOASA-N 2 0 349.494 3.013 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001713400726 1418022487 /nfs/dbraw/zinc/02/24/87/1418022487.db2.gz KAIXQVCPQSZRJI-LPHOPBHVSA-N 2 0 349.494 3.150 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCC(C)C)CC[N@@H+]1C ZINC001713431537 1418059224 /nfs/dbraw/zinc/05/92/24/1418059224.db2.gz KQYIPLXBJYAOLO-CEXWTWQISA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001713438694 1418071880 /nfs/dbraw/zinc/07/18/80/1418071880.db2.gz IKLKKIZYWKLFTQ-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)CCNC(=O)C[C@H]2CC[NH+](C)C2)cc1 ZINC001713473287 1418147583 /nfs/dbraw/zinc/14/75/83/1418147583.db2.gz SXDCLMNTDXEPSK-ZWKOTPCHSA-N 2 0 345.531 3.261 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001713535039 1418287666 /nfs/dbraw/zinc/28/76/66/1418287666.db2.gz YUBLKXCIMXLYBE-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001713684029 1418436917 /nfs/dbraw/zinc/43/69/17/1418436917.db2.gz GSTJXNCJXAEXBZ-YKMDAGRBSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001713684694 1418437656 /nfs/dbraw/zinc/43/76/56/1418437656.db2.gz OCCBCRDHMPSOQZ-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H]([NH2+]CC(C)C)c2ccccc2)C1 ZINC001713700308 1418457581 /nfs/dbraw/zinc/45/75/81/1418457581.db2.gz CQTANDOMMAHVCC-WOJBJXKFSA-N 2 0 345.531 3.212 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001713727584 1418509087 /nfs/dbraw/zinc/50/90/87/1418509087.db2.gz DQGXALBBMGVCMU-VQTJNVASSA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001713731998 1418520665 /nfs/dbraw/zinc/52/06/65/1418520665.db2.gz WPSKFQPMUGOAKS-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713755238 1418558928 /nfs/dbraw/zinc/55/89/28/1418558928.db2.gz XJXPPAUAIJANRK-QULHZPMSSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713758327 1418564526 /nfs/dbraw/zinc/56/45/26/1418564526.db2.gz RGIKQVAUEJEAMB-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713789091 1418606187 /nfs/dbraw/zinc/60/61/87/1418606187.db2.gz LVHHJYYSUJWHMK-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001713792446 1418610984 /nfs/dbraw/zinc/61/09/84/1418610984.db2.gz UENRHNCUKVTCMU-ASIGSXEYSA-N 2 0 335.536 3.044 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001713792367 1418611008 /nfs/dbraw/zinc/61/10/08/1418611008.db2.gz IBPGDHZOBGNNRM-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@H]([NH2+]CC1CCCC1)C1CC1 ZINC001713870031 1418666904 /nfs/dbraw/zinc/66/69/04/1418666904.db2.gz KHEWZPPDVJUXEZ-IBGZPJMESA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713897554 1418696464 /nfs/dbraw/zinc/69/64/64/1418696464.db2.gz TWMFBAKXVPUMSR-IBGZPJMESA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCC1 ZINC001713910153 1418706832 /nfs/dbraw/zinc/70/68/32/1418706832.db2.gz UHMVFMURNULYKQ-ARHOITHKSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001713967901 1418747085 /nfs/dbraw/zinc/74/70/85/1418747085.db2.gz AAXFCUXUHWICJQ-KZNAEPCWSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+]2CCCC2)C1 ZINC001713977947 1418759533 /nfs/dbraw/zinc/75/95/33/1418759533.db2.gz KTBXLXVKNQFJMV-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+](CC)CC ZINC001714042916 1418833493 /nfs/dbraw/zinc/83/34/93/1418833493.db2.gz JBCZTVJPCCCLHF-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(C(=O)CCCC[NH+]1CCCC1)[C@@H]1CC[N@H+](CC2CC(C)C2)C1 ZINC001714053796 1418852748 /nfs/dbraw/zinc/85/27/48/1418852748.db2.gz NSLOMXJMOOZWNN-SOAGJPPSSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714065788 1418862420 /nfs/dbraw/zinc/86/24/20/1418862420.db2.gz KDHOQYMGILUMAW-UEKDZROGSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)cc1 ZINC001714091607 1418885372 /nfs/dbraw/zinc/88/53/72/1418885372.db2.gz JXBHBLSWPMXOPY-FQEVSTJZSA-N 2 0 345.531 3.055 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C ZINC001714130089 1418933705 /nfs/dbraw/zinc/93/37/05/1418933705.db2.gz MKKAEGHESUECQG-OBNUAKFSSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CC1CCCC1 ZINC001714144989 1418948307 /nfs/dbraw/zinc/94/83/07/1418948307.db2.gz OGPPFXLKNPEPIW-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H](NC(=O)C1([NH+](C)C)CCC1)[C@@H]1CCC[N@H+](CCC(C)(C)C)C1 ZINC001714150062 1418955815 /nfs/dbraw/zinc/95/58/15/1418955815.db2.gz JILVXXHINRTJNL-IAGOWNOFSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714156825 1418967099 /nfs/dbraw/zinc/96/70/99/1418967099.db2.gz QESSNCBOEQXZRB-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001714187093 1418994176 /nfs/dbraw/zinc/99/41/76/1418994176.db2.gz GSGFEENEZYCFTD-LKFCSYKXSA-N 2 0 335.536 3.233 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC(C)C)CC1 ZINC001714190173 1418997279 /nfs/dbraw/zinc/99/72/79/1418997279.db2.gz KUCLMBZBPGQARP-CTWPCTMYSA-N 2 0 337.552 3.314 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001714218497 1419014741 /nfs/dbraw/zinc/01/47/41/1419014741.db2.gz MBQQBXDMFKZMTJ-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCCC1 ZINC001714242311 1419030758 /nfs/dbraw/zinc/03/07/58/1419030758.db2.gz ZFKIUSGOHBPOAH-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001714267895 1419049328 /nfs/dbraw/zinc/04/93/28/1419049328.db2.gz HJCOXPJSXLOUCC-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001714282055 1419062242 /nfs/dbraw/zinc/06/22/42/1419062242.db2.gz DMMYLTHVUVILFT-PLNGDYQASA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)CCC[N@@H+]1CCC2(C1)CCN(C(=O)C[C@H]1CC[NH+](C)C1)CC2 ZINC001714367225 1419127100 /nfs/dbraw/zinc/12/71/00/1419127100.db2.gz VXJWRQHEWJRVLB-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001714416702 1419153789 /nfs/dbraw/zinc/15/37/89/1419153789.db2.gz CHWFYLUDRIYSGH-UXHICEINSA-N 2 0 349.563 3.460 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001714417778 1419154954 /nfs/dbraw/zinc/15/49/54/1419154954.db2.gz QGDOODZRXXSWJX-OALUTQOASA-N 2 0 335.536 3.070 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]([NH+](C)CCCC(C)C)C1 ZINC001714455161 1419187706 /nfs/dbraw/zinc/18/77/06/1419187706.db2.gz VJMGHRMNJMPYFC-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CCNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001714472790 1419197896 /nfs/dbraw/zinc/19/78/96/1419197896.db2.gz JZHVZNKZDNMEGF-QZTJIDSGSA-N 2 0 345.531 3.333 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001714490467 1419213547 /nfs/dbraw/zinc/21/35/47/1419213547.db2.gz GZGCQCUPBUFPJK-MOPGFXCFSA-N 2 0 345.531 3.244 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCC1 ZINC001714492957 1419216458 /nfs/dbraw/zinc/21/64/58/1419216458.db2.gz BGQBFTNYQICYGR-QWNKOJSDSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001714495381 1419219753 /nfs/dbraw/zinc/21/97/53/1419219753.db2.gz MLXVRHHZKXSSTB-QZTJIDSGSA-N 2 0 345.531 3.136 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2 ZINC001714522734 1419248459 /nfs/dbraw/zinc/24/84/59/1419248459.db2.gz DFZNNWZPHQQTSQ-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)[C@@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571402 1419303613 /nfs/dbraw/zinc/30/36/13/1419303613.db2.gz CPNMVAYACRMPAC-LPHOPBHVSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714571304 1419303733 /nfs/dbraw/zinc/30/37/33/1419303733.db2.gz BTKHUTBIKRBBKX-UXHICEINSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1=CCCCC1)[NH+]1CCCCC1 ZINC001714572279 1419306039 /nfs/dbraw/zinc/30/60/39/1419306039.db2.gz NCKFPAMDYAKOOP-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714632207 1419403654 /nfs/dbraw/zinc/40/36/54/1419403654.db2.gz GNCCHRJHSRIZLP-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCC1)N(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001714796102 1419513085 /nfs/dbraw/zinc/51/30/85/1419513085.db2.gz OQGAZBXHQAIMPT-QGZVFWFLSA-N 2 0 345.531 3.379 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)C1CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001714820978 1419531301 /nfs/dbraw/zinc/53/13/01/1419531301.db2.gz QYSMPDCNQJRNNR-GOSISDBHSA-N 2 0 349.563 3.435 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001714821485 1419531710 /nfs/dbraw/zinc/53/17/10/1419531710.db2.gz RVYFVPLRCWSKKP-AQIYZVDXSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1c(C(=O)NCCC[N@@H+](CC[C@@H](C)F)C(C)C)ccc2c[nH+]cn21 ZINC001714824914 1419534712 /nfs/dbraw/zinc/53/47/12/1419534712.db2.gz CXIGVDMHBSVNRU-OAHLLOKOSA-N 2 0 348.466 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001714976351 1419710686 /nfs/dbraw/zinc/71/06/86/1419710686.db2.gz MKJSAJFYTHCENO-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001715007777 1419737104 /nfs/dbraw/zinc/73/71/04/1419737104.db2.gz CWVVTWKQJDLDLV-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCC2CCCC2)C1 ZINC001715036891 1419772648 /nfs/dbraw/zinc/77/26/48/1419772648.db2.gz FDRMXYBRXZSDBO-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)cc1 ZINC001715071193 1419806057 /nfs/dbraw/zinc/80/60/57/1419806057.db2.gz IZWCOWNVNHDXGP-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]CC1CC2(CCC2)C1 ZINC001715077158 1419811715 /nfs/dbraw/zinc/81/17/15/1419811715.db2.gz YOKYYTDNSHBAFZ-RTBURBONSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001715135790 1419884642 /nfs/dbraw/zinc/88/46/42/1419884642.db2.gz XDJATBLQZRWQNT-PXNSSMCTSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001715154033 1419897987 /nfs/dbraw/zinc/89/79/87/1419897987.db2.gz MRFNKPWRIIHETM-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH2+]CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001715176559 1419911730 /nfs/dbraw/zinc/91/17/30/1419911730.db2.gz BORRBPLBZIVCSD-CQQBRXBZSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001715178671 1419913837 /nfs/dbraw/zinc/91/38/37/1419913837.db2.gz QHTKOTLHONGTKO-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CC[C@H]([NH2+]CCC3CCCCC3)CC2)CCC1 ZINC001715181736 1419915626 /nfs/dbraw/zinc/91/56/26/1419915626.db2.gz FUORXPSGEXCJSA-WGSAOQKQSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@H](C)C[NH+]1CCC(CCNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001715203921 1419937300 /nfs/dbraw/zinc/93/73/00/1419937300.db2.gz LPNASCCVGBFUAL-SFHVURJKSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCC1)[NH+]1CCCCC1 ZINC001715208875 1419942568 /nfs/dbraw/zinc/94/25/68/1419942568.db2.gz NCJHISBBUTZJBY-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1)CC(C)(C)C ZINC001715210325 1419943084 /nfs/dbraw/zinc/94/30/84/1419943084.db2.gz MPESOWNSMMQPSM-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001715236691 1419967474 /nfs/dbraw/zinc/96/74/74/1419967474.db2.gz BMWZZFUMFACCRM-YLJYHZDGSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C)ccc2c[nH+]cn21 ZINC001715239982 1419970225 /nfs/dbraw/zinc/97/02/25/1419970225.db2.gz OONGLBSFOKXVTG-HNNXBMFYSA-N 2 0 344.503 3.425 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001715306743 1420015408 /nfs/dbraw/zinc/01/54/08/1420015408.db2.gz FMNBJELASBQEJH-SFHVURJKSA-N 2 0 337.552 3.458 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)Cn2ccnc2C(C)C)CCCC1 ZINC001715307595 1420016418 /nfs/dbraw/zinc/01/64/18/1420016418.db2.gz OPJJSAQIWFTNRX-INIZCTEOSA-N 2 0 334.508 3.071 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715353892 1420053900 /nfs/dbraw/zinc/05/39/00/1420053900.db2.gz KQGJOKFICOIIPC-ZWKOTPCHSA-N 2 0 345.531 3.367 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001715381844 1420078578 /nfs/dbraw/zinc/07/85/78/1420078578.db2.gz DTYMYEQSCMPINC-NZSAHSFTSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CC2CCCCCC2)[C@@H](C)C1 ZINC001715413808 1420108918 /nfs/dbraw/zinc/10/89/18/1420108918.db2.gz JGKDMQCAMUMNSK-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C[C@H]1C ZINC001715425604 1420116227 /nfs/dbraw/zinc/11/62/27/1420116227.db2.gz ZPTNKEKWKGSZPN-NYQZOWANSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001715428632 1420117856 /nfs/dbraw/zinc/11/78/56/1420117856.db2.gz ZWWJOAVYUPVJKH-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001715441181 1420126539 /nfs/dbraw/zinc/12/65/39/1420126539.db2.gz YAVKWOVFVQDZTR-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001715447461 1420131393 /nfs/dbraw/zinc/13/13/93/1420131393.db2.gz SSGGPTRFIGZJAK-HMECNJMJSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001715455161 1420136889 /nfs/dbraw/zinc/13/68/89/1420136889.db2.gz KTZCQHCHDLTKKH-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001715463933 1420143224 /nfs/dbraw/zinc/14/32/24/1420143224.db2.gz IIVXJIMRNQOEOH-QZTJIDSGSA-N 2 0 337.552 3.147 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001715478673 1420156951 /nfs/dbraw/zinc/15/69/51/1420156951.db2.gz UEJOGVCFKWXUOE-ZYHOBAKYSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001715482031 1420161127 /nfs/dbraw/zinc/16/11/27/1420161127.db2.gz KLIRUPTXBHIECI-KKHYBRAUSA-N 2 0 349.563 3.388 10 0 EGAERP 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VIWKDFHHRBNSJA-UXHICEINSA-N 2 0 347.547 3.118 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001716899727 1421030134 /nfs/dbraw/zinc/03/01/34/1421030134.db2.gz QFVPASBKUKYYHP-GHTZIAJQSA-N 2 0 345.531 3.226 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCC(C)(C)C)C2 ZINC001716951607 1421047858 /nfs/dbraw/zinc/04/78/58/1421047858.db2.gz JSGUKMWHYQBDMI-KSZLIROESA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C1(C[NH+](C)C)CC1 ZINC001717036790 1421090616 /nfs/dbraw/zinc/09/06/16/1421090616.db2.gz WLIHFKTVLAAFAC-PWBPZBFBSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001717103259 1421111229 /nfs/dbraw/zinc/11/12/29/1421111229.db2.gz YGZUWNZOFHDTRR-IEBWSBKVSA-N 2 0 345.531 3.236 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)CC2)C1 ZINC001717123236 1421125942 /nfs/dbraw/zinc/12/59/42/1421125942.db2.gz QOODXDAXLJNPIP-IHPCNDPISA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(CN(C(=O)C[N@H+](C)CC(C)(C)C)C2)CC1 ZINC001717128726 1421129735 /nfs/dbraw/zinc/12/97/35/1421129735.db2.gz KPLSQIUCESTOCX-BQYQJAHWSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001717201417 1421169000 /nfs/dbraw/zinc/16/90/00/1421169000.db2.gz BLBZIUJABJSYGJ-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001717215562 1421193335 /nfs/dbraw/zinc/19/33/35/1421193335.db2.gz NXMWAMMZMXHFAD-LJQANCHMSA-N 2 0 337.552 3.243 10 0 EGAERP CCC1([NH2+]CC[C@H](C)F)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717239893 1421207963 /nfs/dbraw/zinc/20/79/63/1421207963.db2.gz BTZDFLYMYSEQOK-INIZCTEOSA-N 2 0 343.531 3.073 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(C)([NH2+]CCCC(C)(C)C)CC1 ZINC001717298005 1421241450 /nfs/dbraw/zinc/24/14/50/1421241450.db2.gz RLLVWIBMIUQWMM-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2=CCCCC2)[C@H](C)C1 ZINC001717336888 1421273880 /nfs/dbraw/zinc/27/38/80/1421273880.db2.gz TYDZVSZHVGHRQT-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1=CCCCC1 ZINC001717338218 1421276073 /nfs/dbraw/zinc/27/60/73/1421276073.db2.gz RQJRWCLNFKDCIP-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP CCC(CC)C[NH2+]CC1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717384246 1421325330 /nfs/dbraw/zinc/32/53/30/1421325330.db2.gz DBRWDBZKBCBHHJ-QLOJAFMTSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](NC(=O)c1sccc1C[NH+](C)C)[C@@H](C)[NH2+]CC1CCCC1 ZINC001717410758 1421342901 /nfs/dbraw/zinc/34/29/01/1421342901.db2.gz XJAKTIKMIRESTD-ZIAGYGMSSA-N 2 0 337.533 3.096 10 0 EGAERP C[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001717458217 1421387557 /nfs/dbraw/zinc/38/75/57/1421387557.db2.gz LOIUEGQRKQJOJH-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1ccccc1C[N@H+](C)[C@H](C)CNC(=O)CC[C@H]1CCC[NH+]1C ZINC001717476750 1421410201 /nfs/dbraw/zinc/41/02/01/1421410201.db2.gz RMAOQRAKMDLQTJ-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC1(C)C[N@H+](CC2=CCCCC2)C[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001717589903 1421518701 /nfs/dbraw/zinc/51/87/01/1421518701.db2.gz SZAJPMAHIIAZBR-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001717649721 1421550283 /nfs/dbraw/zinc/55/02/83/1421550283.db2.gz VNDITVXEHVWABC-PXYFQHJDSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001717738461 1421602517 /nfs/dbraw/zinc/60/25/17/1421602517.db2.gz KBWXTZYSHOBOGB-ROUUACIJSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)CC[NH+](C)C)cc1 ZINC001717743042 1421606410 /nfs/dbraw/zinc/60/64/10/1421606410.db2.gz WQGHTNVGIIMSMT-IAGOWNOFSA-N 2 0 333.520 3.259 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744406 1421607913 /nfs/dbraw/zinc/60/79/13/1421607913.db2.gz AQPWTDGJMWQQJM-VQIMIIECSA-N 2 0 349.494 3.025 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758682 1421621345 /nfs/dbraw/zinc/62/13/45/1421621345.db2.gz ZNLWCXHXWKPSBZ-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc(C)ccc1C ZINC001717758681 1421621557 /nfs/dbraw/zinc/62/15/57/1421621557.db2.gz ZNLWCXHXWKPSBZ-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)[C@@H]1C ZINC001717854931 1421667267 /nfs/dbraw/zinc/66/72/67/1421667267.db2.gz AHIBWOGNZPUYGN-DSQZMVHQSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCC[NH+](C)C)CCC[N@@H+]1CCC1CCCCC1 ZINC001717858204 1421670850 /nfs/dbraw/zinc/67/08/50/1421670850.db2.gz QEUGWTHADANWJZ-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCCC2)[C@@H]1C ZINC001717861112 1421673910 /nfs/dbraw/zinc/67/39/10/1421673910.db2.gz TYHOAQOJXJXDSI-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+]1CCCCC1)C1CC[NH+](CC2CCC2)CC1 ZINC001717980905 1421752619 /nfs/dbraw/zinc/75/26/19/1421752619.db2.gz PTJUGAHPNSLSQS-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CCC(C)C)C1 ZINC001733457700 1429677679 /nfs/dbraw/zinc/67/76/79/1429677679.db2.gz AOQLUQOKIOWCBY-QUCCMNQESA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1CN(C(=O)C2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001723376560 1424376829 /nfs/dbraw/zinc/37/68/29/1424376829.db2.gz HANLOXWSPXXHBO-UYAOXDASSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1CN(C(=O)C[NH+]2CCCC2)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001723383334 1424379825 /nfs/dbraw/zinc/37/98/25/1424379825.db2.gz BRJHCXDAXZAQDL-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+](CCC1)C2 ZINC001723634285 1424501053 /nfs/dbraw/zinc/50/10/53/1424501053.db2.gz WYPIMAFKECGYMU-MOPGFXCFSA-N 2 0 347.547 3.118 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CC1CCC1 ZINC001723700717 1424538107 /nfs/dbraw/zinc/53/81/07/1424538107.db2.gz HQCCCXUCWJZZON-BGYRXZFFSA-N 2 0 347.547 3.118 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001723907094 1424602728 /nfs/dbraw/zinc/60/27/28/1424602728.db2.gz ZVGFHRSTSPVFPS-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)[C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001724532035 1424896356 /nfs/dbraw/zinc/89/63/56/1424896356.db2.gz MYBDZYLLXOPAKK-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]([NH2+]CC1CCCC1)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001724558880 1424913245 /nfs/dbraw/zinc/91/32/45/1424913245.db2.gz LDYHTKYRUARDFE-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001724609295 1424947098 /nfs/dbraw/zinc/94/70/98/1424947098.db2.gz WVZWTUFYWSTGPA-FGAQLQNGSA-N 2 0 349.563 3.195 10 0 EGAERP C[NH+]1CCC(C(=O)N2CC3(C2)CC[NH+](CCCC(C)(C)C)CC3)CC1 ZINC001724759651 1425130320 /nfs/dbraw/zinc/13/03/20/1425130320.db2.gz MDPCAKMUSMGYPM-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001724837712 1425186268 /nfs/dbraw/zinc/18/62/68/1425186268.db2.gz NJZIEXUFNFXURZ-QGZVFWFLSA-N 2 0 342.487 3.417 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001724846153 1425198348 /nfs/dbraw/zinc/19/83/48/1425198348.db2.gz VHNSPUADJIPDPS-KPDZFXRVSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001724849730 1425210445 /nfs/dbraw/zinc/21/04/45/1425210445.db2.gz XXDAARSWOLDPIE-SFHVURJKSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001724882400 1425263710 /nfs/dbraw/zinc/26/37/10/1425263710.db2.gz BDIYVDGSUMSCFJ-LPADLIQXSA-N 2 0 337.552 3.290 10 0 EGAERP CCC1([NH2+]CCCC(C)(C)C)CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001724884052 1425265779 /nfs/dbraw/zinc/26/57/79/1425265779.db2.gz SHCFFNYJJUZPHR-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CCC1([NH2+]CC2CC3(CCC3)C2)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001724887123 1425271676 /nfs/dbraw/zinc/27/16/76/1425271676.db2.gz QJSAQEFQUHKQGQ-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCC1([NH2+]CC2CCCC2)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001724891320 1425278563 /nfs/dbraw/zinc/27/85/63/1425278563.db2.gz QAJLCWGJFCFJQO-ROUUACIJSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]Cc2cccc(C)c2)CC1 ZINC001724961941 1425350790 /nfs/dbraw/zinc/35/07/90/1425350790.db2.gz OOBPAZWGODYSHV-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]CC2CCCCCC2)CC1 ZINC001724962645 1425352131 /nfs/dbraw/zinc/35/21/31/1425352131.db2.gz VEQWNSTXGWTXOF-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CC1CCCC1)[NH+](CC)CC ZINC001725048961 1425480221 /nfs/dbraw/zinc/48/02/21/1425480221.db2.gz QERNIAVLYJLCLG-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]([C@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001725056083 1425492772 /nfs/dbraw/zinc/49/27/72/1425492772.db2.gz RASGYOHGYRFLML-VQTJNVASSA-N 2 0 349.563 3.223 10 0 EGAERP CC1CC[NH+](CC(=O)NC2CC(C[NH2+]CCC3=CCCCC3)C2)CC1 ZINC001725071433 1425512605 /nfs/dbraw/zinc/51/26/05/1425512605.db2.gz QOLHFSZRRYDDFG-UHFFFAOYSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001725097174 1425541429 /nfs/dbraw/zinc/54/14/29/1425541429.db2.gz JTWLLUOAXFXIJM-IAGOWNOFSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001725105615 1425555286 /nfs/dbraw/zinc/55/52/86/1425555286.db2.gz GTRBNMREJPSGEU-CVEARBPZSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725112289 1425568597 /nfs/dbraw/zinc/56/85/97/1425568597.db2.gz BXWXSQIWXPXDAE-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001725116040 1425575085 /nfs/dbraw/zinc/57/50/85/1425575085.db2.gz UCIGKERPZKYLBV-IAGOWNOFSA-N 2 0 345.531 3.425 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCCC1 ZINC001725219136 1425786976 /nfs/dbraw/zinc/78/69/76/1425786976.db2.gz YUSAQWDVJQTJQN-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP C[NH+](C)CC1(C(=O)NC2(C[NH2+]CC3CC(C)(C)C3)CCCCC2)CC1 ZINC001725228840 1425799638 /nfs/dbraw/zinc/79/96/38/1425799638.db2.gz VBWMUVJITIFSBY-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CCC[NH2+]CC1(NC(=O)c2cccc(C[NH+](C)C)c2)CCCCC1 ZINC001725229352 1425800105 /nfs/dbraw/zinc/80/01/05/1425800105.db2.gz PRAGCMASCVFYAH-UHFFFAOYSA-N 2 0 331.504 3.181 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC2(C[NH2+]CCCF)CCCCC2)c1 ZINC001725229674 1425800985 /nfs/dbraw/zinc/80/09/85/1425800985.db2.gz RQKIFKIVUKSEBR-UHFFFAOYSA-N 2 0 349.494 3.130 10 0 EGAERP CCC/C=C\CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001725250988 1425871162 /nfs/dbraw/zinc/87/11/62/1425871162.db2.gz YJFJGUNRGDPQKW-JKLVOYIESA-N 2 0 335.536 3.042 10 0 EGAERP C[C@H](NC(=O)[C@H](C)[NH+]1CCCCCC1)C1C[NH+](CC2=CCCCC2)C1 ZINC001725263647 1425895779 /nfs/dbraw/zinc/89/57/79/1425895779.db2.gz ILBCEGZCIKLISA-ROUUACIJSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC3=CCCCC3)C2)CC[N@@H+]1C ZINC001725357899 1426008077 /nfs/dbraw/zinc/00/80/77/1426008077.db2.gz VIHPZECOLBUCPX-LWYYNNOASA-N 2 0 347.547 3.092 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)[C@@H](C[NH2+]CC1CCCCC1)C1CC1 ZINC001725455091 1426120928 /nfs/dbraw/zinc/12/09/28/1426120928.db2.gz MROGFNWRHHSMNT-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)CCCC[NH+](C)C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001725512040 1426200225 /nfs/dbraw/zinc/20/02/25/1426200225.db2.gz ASOUUUPFARNPNG-FXAWDEMLSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001725579686 1426235911 /nfs/dbraw/zinc/23/59/11/1426235911.db2.gz CHICBDTVNSHCOR-HKUYNNGSSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725582621 1426238762 /nfs/dbraw/zinc/23/87/62/1426238762.db2.gz CXGXKBMLQLWWBK-AZUAARDMSA-N 2 0 347.547 3.332 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccsc2)CN1C(=O)CCC[NH+]1CCCCC1 ZINC001725588762 1426244196 /nfs/dbraw/zinc/24/41/96/1426244196.db2.gz JIYYRFLQQVGNKD-AEFFLSMTSA-N 2 0 349.544 3.093 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001725600821 1426256656 /nfs/dbraw/zinc/25/66/56/1426256656.db2.gz SHKBYMRKKKMVFV-WBVHZDCISA-N 2 0 342.487 3.416 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@H]12 ZINC001725611901 1426271631 /nfs/dbraw/zinc/27/16/31/1426271631.db2.gz QSJZTNMPJUUBLX-SLYNCCJLSA-N 2 0 343.515 3.203 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001725624359 1426290768 /nfs/dbraw/zinc/29/07/68/1426290768.db2.gz INLFJMFIVMDLCR-UYAOXDASSA-N 2 0 335.536 3.166 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)[C@H]2C)CC1 ZINC001725655085 1426337872 /nfs/dbraw/zinc/33/78/72/1426337872.db2.gz GRNIQALAZABSKV-AEFFLSMTSA-N 2 0 337.552 3.122 10 0 EGAERP CC[C@H](C(=O)N1C[C@H]([NH2+]CC2=CCCCC2)C(C)(C)C1)[NH+](CC)CC ZINC001725674546 1426359430 /nfs/dbraw/zinc/35/94/30/1426359430.db2.gz GFBHLJYYPNVURI-MOPGFXCFSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1 ZINC001725679878 1426367806 /nfs/dbraw/zinc/36/78/06/1426367806.db2.gz TWZDBSGGVJPXCO-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C(C)(C)C ZINC001725749317 1426427464 /nfs/dbraw/zinc/42/74/64/1426427464.db2.gz ZQBMRBXUYVICDQ-ROUUACIJSA-N 2 0 337.552 3.194 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC([C@H](C)NC(=O)C[NH+]2CCCC2)CC1 ZINC001725772392 1426456566 /nfs/dbraw/zinc/45/65/66/1426456566.db2.gz WKEXCBVMDFSXID-ZWKOTPCHSA-N 2 0 343.515 3.060 10 0 EGAERP C[N@H+](CC(=O)NC1(C2CC[NH+](CCC3CC3)CC2)CC1)CC(C)(C)C ZINC001725795211 1426480224 /nfs/dbraw/zinc/48/02/24/1426480224.db2.gz UKQOUYNGJVIEGI-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CCCC(C)(C)C)CC2)CCC1 ZINC001725818114 1426494783 /nfs/dbraw/zinc/49/47/83/1426494783.db2.gz SPGABKMPHNVFKY-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001725831095 1426509842 /nfs/dbraw/zinc/50/98/42/1426509842.db2.gz XIQVDCGIKHMZEF-QUCCMNQESA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001731283095 1427226695 /nfs/dbraw/zinc/22/66/95/1427226695.db2.gz OHNAEFIZLFXOAZ-XLIONFOSSA-N 2 0 345.531 3.261 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001731298789 1427241345 /nfs/dbraw/zinc/24/13/45/1427241345.db2.gz ZNPPBYFHHUBCSM-UYAOXDASSA-N 2 0 345.531 3.194 10 0 EGAERP O=C(NCCC[N@H+](CC1CC1)C1CC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001731333611 1427271526 /nfs/dbraw/zinc/27/15/26/1427271526.db2.gz MGGSZYHIKWQELL-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001731347698 1427285632 /nfs/dbraw/zinc/28/56/32/1427285632.db2.gz RIFLAYFBDNKQSR-IBGZPJMESA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001731382358 1427320809 /nfs/dbraw/zinc/32/08/09/1427320809.db2.gz BXMGHKOBUGPNQM-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@H]2NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001731385648 1427330530 /nfs/dbraw/zinc/33/05/30/1427330530.db2.gz MZKGFPQQYTUOGG-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001731430561 1427413162 /nfs/dbraw/zinc/41/31/62/1427413162.db2.gz ACSUPBYDMGVJKZ-YSTOQKLRSA-N 2 0 347.547 3.115 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)CC[C@H]2CCC[N@@H+]2C)C1 ZINC001731519998 1427508319 /nfs/dbraw/zinc/50/83/19/1427508319.db2.gz USWVUIJHXPJDIK-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731528383 1427518226 /nfs/dbraw/zinc/51/82/26/1427518226.db2.gz ZQGXTMXHGFAPOK-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001731541587 1427550980 /nfs/dbraw/zinc/55/09/80/1427550980.db2.gz GNMIZAMBVKLSBB-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](F)C[NH2+]C1CCC(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001731573335 1427616198 /nfs/dbraw/zinc/61/61/98/1427616198.db2.gz IHRJNLTVGVGHSG-WWDZGPRUSA-N 2 0 341.515 3.018 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@H+]2CC(C)C)c1 ZINC001731604800 1427649480 /nfs/dbraw/zinc/64/94/80/1427649480.db2.gz WUSVNLCYRIOGCQ-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731659243 1427712215 /nfs/dbraw/zinc/71/22/15/1427712215.db2.gz HSFZZXAIYJNNMP-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001731663294 1427714753 /nfs/dbraw/zinc/71/47/53/1427714753.db2.gz PRGSHFKDIKGEIS-HPFMTEOYSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001731670393 1427719668 /nfs/dbraw/zinc/71/96/68/1427719668.db2.gz BDOIJXJSYUPCQZ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCC[C@@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001731732677 1427810003 /nfs/dbraw/zinc/81/00/03/1427810003.db2.gz JBMHGDYEBHSXNN-MJGOQNOKSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001731734240 1427812959 /nfs/dbraw/zinc/81/29/59/1427812959.db2.gz YDBYATJEEYODGB-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[C@H]2CCC[NH+]2CC=C(C)C)CC[N@@H+]1C ZINC001731747010 1427838687 /nfs/dbraw/zinc/83/86/87/1427838687.db2.gz KQKDQAAXRPNZQM-GBESFXJTSA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+](C)CCNC(=O)[C@H](C(C)C)[NH+]2CCCC2)c1 ZINC001731795258 1427946581 /nfs/dbraw/zinc/94/65/81/1427946581.db2.gz DCUFNFZPBXMCEV-ICSRJNTNSA-N 2 0 345.531 3.224 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731847915 1428073782 /nfs/dbraw/zinc/07/37/82/1428073782.db2.gz UZOYEGKITIAJAS-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CN(CC[NH2+]CCCC1CCC1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001731918716 1428170505 /nfs/dbraw/zinc/17/05/05/1428170505.db2.gz WXGIPHSMTMPNHN-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CN(CC[NH2+]CC1CCC2(CC2)CC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001731973653 1428190280 /nfs/dbraw/zinc/19/02/80/1428190280.db2.gz HSJDTCLOFWRIRG-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001731995720 1428204449 /nfs/dbraw/zinc/20/44/49/1428204449.db2.gz HZEVWJMEPKBRDT-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001733666612 1429860645 /nfs/dbraw/zinc/86/06/45/1429860645.db2.gz CCBUXDUTEOWUIE-LJQANCHMSA-N 2 0 343.515 3.156 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733668122 1429862077 /nfs/dbraw/zinc/86/20/77/1429862077.db2.gz SKFAOFFXGNMGMX-QUCCMNQESA-N 2 0 347.547 3.047 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733673387 1429868393 /nfs/dbraw/zinc/86/83/93/1429868393.db2.gz QUIKAPGEUAEERZ-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001733691912 1429908852 /nfs/dbraw/zinc/90/88/52/1429908852.db2.gz SZIMOGNYEWDCGI-WGSAOQKQSA-N 2 0 335.536 3.093 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716386 1429935415 /nfs/dbraw/zinc/93/54/15/1429935415.db2.gz SXDJNYMMXRATLP-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1c(C(=O)NCC2([NH2+]CCCC(C)C)CCC2)ccc2c[nH+]cn21 ZINC001733718369 1429937946 /nfs/dbraw/zinc/93/79/46/1429937946.db2.gz BSUONVTZNFTKGT-UHFFFAOYSA-N 2 0 342.487 3.321 10 0 EGAERP C[C@H](C(=O)NCC1([NH2+]CCCC2CCC2)CCC1)[NH+]1CCCCCC1 ZINC001733724708 1429949357 /nfs/dbraw/zinc/94/93/57/1429949357.db2.gz LUCAJWBNFHVYQL-GOSISDBHSA-N 2 0 349.563 3.460 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001733762179 1429978275 /nfs/dbraw/zinc/97/82/75/1429978275.db2.gz HWBBPAARFVDRSE-OISZBXDOSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+]C1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001733865186 1437693352 /nfs/dbraw/zinc/69/33/52/1437693352.db2.gz YRVJIXNHZHQNNE-UHFFFAOYSA-N 2 0 340.471 3.193 10 0 EGAERP CCc1cccc(C[NH2+]C2(C)CCN(C(=O)C[N@H+](C)C(C)C)CC2)c1 ZINC001733869368 1437695587 /nfs/dbraw/zinc/69/55/87/1437695587.db2.gz HNXKCXRTSBHHPZ-UHFFFAOYSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001733897908 1437715187 /nfs/dbraw/zinc/71/51/87/1437715187.db2.gz FNOLGSGKQHITGQ-RDJZCZTQSA-N 2 0 335.536 3.019 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H]1C[NH+](C)C(C)C)c1ccccc1 ZINC001733937434 1437752512 /nfs/dbraw/zinc/75/25/12/1437752512.db2.gz IXKMXHVVUVSRNC-OALUTQOASA-N 2 0 331.504 3.011 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001734033534 1437821344 /nfs/dbraw/zinc/82/13/44/1437821344.db2.gz FFYCRXRZYFOVNY-SJORKVTESA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734058683 1437850469 /nfs/dbraw/zinc/85/04/69/1437850469.db2.gz LHRXDDZPSKOGHM-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1=CCCCC1 ZINC001734080737 1437867885 /nfs/dbraw/zinc/86/78/85/1437867885.db2.gz MWAQCUIPXIIZEZ-UYAOXDASSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001734094778 1437879016 /nfs/dbraw/zinc/87/90/16/1437879016.db2.gz VFCKSVGXVGTXQO-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001734105956 1437892139 /nfs/dbraw/zinc/89/21/39/1437892139.db2.gz KAUBMCRGNIEETQ-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001734155948 1437922668 /nfs/dbraw/zinc/92/26/68/1437922668.db2.gz ZSYDHYRTCZSCQK-MOPGFXCFSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CC[NH+](C)CC)C(C)(C)C1 ZINC001734155950 1437922762 /nfs/dbraw/zinc/92/27/62/1437922762.db2.gz ZSYDHYRTCZSCQK-RBUKOAKNSA-N 2 0 345.531 3.306 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001734339808 1438060518 /nfs/dbraw/zinc/06/05/18/1438060518.db2.gz PSNGTDPTHVFUJZ-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@@H]1C ZINC001734396004 1438080844 /nfs/dbraw/zinc/08/08/44/1438080844.db2.gz UUGVPDKXZZLRKH-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CC1=CCCCC1)CC2 ZINC001734441666 1438103494 /nfs/dbraw/zinc/10/34/94/1438103494.db2.gz HIAWMJLNFHATKK-FPOVZHCZSA-N 2 0 347.547 3.332 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@@H]12 ZINC001734447535 1438107944 /nfs/dbraw/zinc/10/79/44/1438107944.db2.gz ZQQRXJQMHXPETP-QKNQBKEWSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CC1CCCC1 ZINC001734454737 1438112337 /nfs/dbraw/zinc/11/23/37/1438112337.db2.gz BWEYSMVLWCYTMC-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001734488831 1438129805 /nfs/dbraw/zinc/12/98/05/1438129805.db2.gz SGQKQEZAIYZKOU-FXAWDEMLSA-N 2 0 343.515 3.203 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C(C)(C)C)c1ccccc1 ZINC001734575973 1438169081 /nfs/dbraw/zinc/16/90/81/1438169081.db2.gz XRMKKESQWHKXIU-OALUTQOASA-N 2 0 345.531 3.210 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001734577660 1438170423 /nfs/dbraw/zinc/17/04/23/1438170423.db2.gz KRDGOWMDEOGQSI-OOFWQKGWSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001734599084 1438182059 /nfs/dbraw/zinc/18/20/59/1438182059.db2.gz QCGJLLPNZFDPGD-SOAGJPPSSA-N 2 0 345.531 3.194 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001750930911 1440112995 /nfs/dbraw/zinc/11/29/95/1440112995.db2.gz PGSZUHPIOWELBX-WLMAVBAVSA-N 2 0 335.536 3.140 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H]1CC[NH+](CC)CC(C)(C)C1)c1ccccc1 ZINC001750946318 1440118639 /nfs/dbraw/zinc/11/86/39/1440118639.db2.gz ZYOKORRTLSDDFM-MOPGFXCFSA-N 2 0 345.531 3.306 10 0 EGAERP C[NH+](C)[C@@H]1CCOc2c(NC(=O)CC[C@H]3CCCC[N@@H+]3C)cccc21 ZINC000357509446 282202128 /nfs/dbraw/zinc/20/21/28/282202128.db2.gz BRIPIKQXCFJVDZ-CRAIPNDOSA-N 2 0 345.487 3.275 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1cc(Cl)cc(Cl)c1)N1CC[NH+](C)CC1 ZINC000127770832 222879762 /nfs/dbraw/zinc/87/97/62/222879762.db2.gz RKPQEXKLFIDNGR-CHWSQXEVSA-N 2 0 330.303 3.280 10 0 EGAERP CCC[N@H+](CCC1CCC([NH3+])CC1)[C@H]1CCc2nc(N)sc2C1 ZINC000090448109 283215986 /nfs/dbraw/zinc/21/59/86/283215986.db2.gz CJSNSEJQHILRQM-NRXISQOPSA-N 2 0 336.549 3.202 10 0 EGAERP C[C@@H](CSC(C)(C)C)[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124697401 295999597 /nfs/dbraw/zinc/99/95/97/295999597.db2.gz HPSOYIKXIGBNBS-KRWDZBQOSA-N 2 0 341.609 3.447 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1ccncc1 ZINC000111228381 220115149 /nfs/dbraw/zinc/11/51/49/220115149.db2.gz ULNZBOMTOXPGLM-LAUBAEHRSA-N 2 0 339.483 3.178 10 0 EGAERP COc1cc(C[NH+]2CCC(CCC[NH+](C)C)CC2)cc2c1OCCO2 ZINC000093688444 218242454 /nfs/dbraw/zinc/24/24/54/218242454.db2.gz PLWQPFYXSKNCMW-UHFFFAOYSA-N 2 0 348.487 3.020 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764287 252215494 /nfs/dbraw/zinc/21/54/94/252215494.db2.gz ITZFULSWKYMDNP-HZPDHXFCSA-N 2 0 332.492 3.209 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(Cl)c2F)CC1 ZINC000179517599 533664054 /nfs/dbraw/zinc/66/40/54/533664054.db2.gz ZCKQDZJXUIKHSJ-CYBMUJFWSA-N 2 0 328.859 3.004 10 0 EGAERP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H](c1ccccc1)[NH+](C)C ZINC000356230569 141323969 /nfs/dbraw/zinc/32/39/69/141323969.db2.gz MITGELIBYQVZLI-XKGZKEIXSA-N 2 0 331.504 3.059 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]CCC[NH+](C(C)C)C(C)C)C12CCOCC2 ZINC000186370166 144131663 /nfs/dbraw/zinc/13/16/63/144131663.db2.gz ZWDIFRLGWNRYEX-MSOLQXFVSA-N 2 0 326.525 3.059 10 0 EGAERP CO[C@H](CC[NH2+][C@H]1CC[N@H+](Cc2ccccc2)C[C@H]1C)C(F)(F)F ZINC000345491805 144246481 /nfs/dbraw/zinc/24/64/81/144246481.db2.gz UGQRLIRFDQZKDC-HYVNUMGLSA-N 2 0 344.421 3.454 10 0 EGAERP CCOCCC[NH+]1CCCC2(CCC[N@@H+](CCCOCC)C2)C1 ZINC000352018014 286056708 /nfs/dbraw/zinc/05/67/08/286056708.db2.gz MOPAPWMXQAIFKX-UHFFFAOYSA-N 2 0 326.525 3.018 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccccc3F)CC2)CC1 ZINC000192800150 153259761 /nfs/dbraw/zinc/25/97/61/153259761.db2.gz WTUVKYODEMRHHO-UHFFFAOYSA-N 2 0 345.506 3.331 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CCC(NC2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000192872750 153264393 /nfs/dbraw/zinc/26/43/93/153264393.db2.gz CTZOEIVTEDXJRQ-BRIRTLKKSA-N 2 0 327.516 3.427 10 0 EGAERP Cc1nn(-c2ccccc2)cc1C[N@@H+]1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261871149 153741360 /nfs/dbraw/zinc/74/13/60/153741360.db2.gz SJSONVPORYPHJK-KNQAVFIVSA-N 2 0 346.478 3.355 10 0 EGAERP C[NH+](C)Cc1cccc(NC(=O)CC[N@@H+]2CCc3ccccc3C2)c1 ZINC000348938632 156294574 /nfs/dbraw/zinc/29/45/74/156294574.db2.gz DTIAXRHBPVHAJS-UHFFFAOYSA-N 2 0 337.467 3.135 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](Cc2ccc3c(c2)OCCO3)CC1 ZINC000114475789 162234125 /nfs/dbraw/zinc/23/41/25/162234125.db2.gz NITHKOSSLCPGTI-UHFFFAOYSA-N 2 0 332.488 3.402 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1cc(Cl)ccc1OC[C@H]1CCCO1 ZINC000343888681 164058839 /nfs/dbraw/zinc/05/88/39/164058839.db2.gz DUSUFDZEESQEQF-QGZVFWFLSA-N 2 0 340.895 3.329 10 0 EGAERP CC(C)(C)CC[NH+]1CCN(Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346136993 164346306 /nfs/dbraw/zinc/34/63/06/164346306.db2.gz QGVWWIXPRZUUIF-UHFFFAOYSA-N 2 0 332.517 3.488 10 0 EGAERP COc1cc2c(NCCC[N@@H+]3CCCO[C@H](C)C3)cc[nH+]c2cc1F ZINC000358913954 167003012 /nfs/dbraw/zinc/00/30/12/167003012.db2.gz GUUONENWFHJTET-CQSZACIVSA-N 2 0 347.434 3.295 10 0 EGAERP CC(C)(CC[NH+]1CCCCCC1)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000359115740 167070891 /nfs/dbraw/zinc/07/08/91/167070891.db2.gz GXYFMAQYLHSEBO-UHFFFAOYSA-N 2 0 341.503 3.402 10 0 EGAERP COc1cc2c(NC[C@@H](C(C)C)[NH+]3CCOCC3)cc[nH+]c2cc1F ZINC000359440778 167157101 /nfs/dbraw/zinc/15/71/01/167157101.db2.gz RWTMRHORDCSDBA-SFHVURJKSA-N 2 0 347.434 3.151 10 0 EGAERP COc1cc2c(NC3CC[NH+]([C@@H]4CCOC4)CC3)cc[nH+]c2cc1F ZINC000366434504 168121398 /nfs/dbraw/zinc/12/13/98/168121398.db2.gz USBLQCSJMYHAPF-CQSZACIVSA-N 2 0 345.418 3.048 10 0 EGAERP COCC[C@H](Cc1cccc(F)c1)[NH2+]C1CC([NH+]2CCCCC2)C1 ZINC000366886818 168152354 /nfs/dbraw/zinc/15/23/54/168152354.db2.gz OYPPRKXRIKLYQC-XEVCZEQESA-N 2 0 334.479 3.380 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271882266 275238380 /nfs/dbraw/zinc/23/83/80/275238380.db2.gz SVOQDPBZMAAIQV-FQEVSTJZSA-N 2 0 333.495 3.284 10 0 EGAERP CC[NH+](CC)CCN(Cc1ccccc1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279130391 275306473 /nfs/dbraw/zinc/30/64/73/275306473.db2.gz BSYKLLBRCMCSCQ-ICSRJNTNSA-N 2 0 345.531 3.087 10 0 EGAERP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@H]2c2cccs2)[C@H](C)C1 ZINC000248178091 276229277 /nfs/dbraw/zinc/22/92/77/276229277.db2.gz VYYRENNSYRKYHC-VUHPKUFZSA-N 2 0 335.561 3.451 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCCN(Cc3ccccc3)C2)[C@@H]2CCC[C@@H]21 ZINC000353463418 277173017 /nfs/dbraw/zinc/17/30/17/277173017.db2.gz RMCNZSDPOLYGHS-ANULTFPQSA-N 2 0 327.516 3.113 10 0 EGAERP CCC[NH+]1CCC(CNC(=O)[C@H](c2ccccc2)[NH+](CC)CC)CC1 ZINC000354585171 278802361 /nfs/dbraw/zinc/80/23/61/278802361.db2.gz XKEVBIJKOSQMBO-FQEVSTJZSA-N 2 0 345.531 3.308 10 0 EGAERP CC[C@@H]1CCCC[N@@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000354397952 280254236 /nfs/dbraw/zinc/25/42/36/280254236.db2.gz LVFZNJKAUOGQTF-HXUWFJFHSA-N 2 0 343.515 3.277 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000368313778 290383688 /nfs/dbraw/zinc/38/36/88/290383688.db2.gz APEZKKZZRWCNIU-SFHVURJKSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1C[C@H]1C ZINC000414074488 309059288 /nfs/dbraw/zinc/05/92/88/309059288.db2.gz MUYLMWKINHCKFR-LLGFUMIMSA-N 2 0 346.515 3.310 10 0 EGAERP COc1cc([C@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc(OC)c1OC ZINC000414194868 309066189 /nfs/dbraw/zinc/06/61/89/309066189.db2.gz WBTOABVMLUPCLE-ZDUSSCGKSA-N 2 0 341.411 3.211 10 0 EGAERP C[C@@H]([NH2+]CC[C@@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200475 309066593 /nfs/dbraw/zinc/06/65/93/309066593.db2.gz XWQFULUZPHVDEK-CABCVRRESA-N 2 0 347.894 3.303 10 0 EGAERP CCc1noc(C)c1C[NH2+][C@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000293874491 308170046 /nfs/dbraw/zinc/17/00/46/308170046.db2.gz ZVVMBYLFTAPXDN-CQSZACIVSA-N 2 0 331.460 3.337 10 0 EGAERP C[C@H]1CCN(Cc2cnc(Br)s2)C[C@H]1n1ccnc1 ZINC000294904783 308269972 /nfs/dbraw/zinc/26/99/72/308269972.db2.gz HPZZOWGLILNEHA-CMPLNLGQSA-N 2 0 341.278 3.185 10 0 EGAERP COc1cccc(NC(=O)C[C@@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414810266 309103017 /nfs/dbraw/zinc/10/30/17/309103017.db2.gz HRIFSFGECWZPKX-CABCVRRESA-N 2 0 341.455 3.222 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]C1CCN(Cc2c(F)cccc2Cl)CC1 ZINC000414942816 309110630 /nfs/dbraw/zinc/11/06/30/309110630.db2.gz MZFATOORQOCERY-SCLBCKFNSA-N 2 0 339.886 3.031 10 0 EGAERP C[C@H](CCC[NH3+])[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000415016869 309114520 /nfs/dbraw/zinc/11/45/20/309114520.db2.gz DJHGDTUGQSSEGO-OAHLLOKOSA-N 2 0 327.476 3.277 10 0 EGAERP CC(C)(C)c1ccc(C[NH2+]C2CCC(N3CC[NH2+]CC3)CC2)s1 ZINC000415051995 309116613 /nfs/dbraw/zinc/11/66/13/309116613.db2.gz KLPZMIATERVZMT-UHFFFAOYSA-N 2 0 335.561 3.352 10 0 EGAERP C[C@@]1(c2ccccc2)CC[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000415055866 309117151 /nfs/dbraw/zinc/11/71/51/309117151.db2.gz PCZJXOIWKLEFAU-OEXSPLCWSA-N 2 0 341.543 3.303 10 0 EGAERP CCCCOc1ccc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415061600 309117608 /nfs/dbraw/zinc/11/76/08/309117608.db2.gz YUDKTGONXJBDRS-UHFFFAOYSA-N 2 0 345.531 3.172 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC([NH+]2CCCCC2)CC1 ZINC000415948438 309150793 /nfs/dbraw/zinc/15/07/93/309150793.db2.gz YJUYASJLDTUWRG-UHFFFAOYSA-N 2 0 344.503 3.278 10 0 EGAERP CC[C@H](C[NH+]1CCCC2(CCC[N@@H+](C[C@@H](CC)OC)C2)C1)OC ZINC000419284672 309263025 /nfs/dbraw/zinc/26/30/25/309263025.db2.gz TULKOLPWWPDAQZ-PWCSWUJKSA-N 2 0 326.525 3.014 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@H+](C[C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000421373518 309321291 /nfs/dbraw/zinc/32/12/91/309321291.db2.gz MQEXQHYFLRWIHJ-FQEVSTJZSA-N 2 0 343.559 3.357 10 0 EGAERP COc1ccc(CCC[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422699852 309363450 /nfs/dbraw/zinc/36/34/50/309363450.db2.gz BKJRIMJGWJCWFW-MSOLQXFVSA-N 2 0 326.440 3.371 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711639 309364112 /nfs/dbraw/zinc/36/41/12/309364112.db2.gz HFNPSHYGZHZGRM-QXCFHYIPSA-N 2 0 347.572 3.395 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)N1CCc2sccc2C1 ZINC000422711640 309364384 /nfs/dbraw/zinc/36/43/84/309364384.db2.gz HFNPSHYGZHZGRM-XGXHKWSGSA-N 2 0 347.572 3.395 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](Cc1ccc(C)cc1)c1ccccn1 ZINC000422744292 309366339 /nfs/dbraw/zinc/36/63/39/309366339.db2.gz JVKZSQFQDUKXBF-AZUAARDMSA-N 2 0 327.472 3.017 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H]1CCCN(c2cccc(F)c2)C1 ZINC000422752651 309366722 /nfs/dbraw/zinc/36/67/22/309366722.db2.gz CVAVMOVEGOMZIO-YJBOKZPZSA-N 2 0 342.462 3.307 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000422789235 309368284 /nfs/dbraw/zinc/36/82/84/309368284.db2.gz RUGQBCBWBSMPMF-PGRDOPGGSA-N 2 0 337.511 3.331 10 0 EGAERP COc1ccc(C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCC[NH2+]2)cc1OC(F)F ZINC000422811825 309369748 /nfs/dbraw/zinc/36/97/48/309369748.db2.gz POVQUSMJZPTGBI-RBSFLKMASA-N 2 0 340.414 3.307 10 0 EGAERP c1cc(N2CCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1 ZINC000422824399 309370428 /nfs/dbraw/zinc/37/04/28/309370428.db2.gz GZZFRXHJYAQBDJ-IPMKNSEASA-N 2 0 328.504 3.082 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000422888892 309374400 /nfs/dbraw/zinc/37/44/00/309374400.db2.gz DWJYEFWUTGLQEL-UEXGIBASSA-N 3 0 347.547 3.008 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])CCOCC1 ZINC000422897396 309374896 /nfs/dbraw/zinc/37/48/96/309374896.db2.gz JKTJLXODVYMXQH-PKOBYXMFSA-N 2 0 346.515 3.159 10 0 EGAERP c1ccc2c(c1)O[C@@]1(CC[NH2+]C1)C[C@H]2[NH2+]CCOC1CCCCC1 ZINC000422935434 309376976 /nfs/dbraw/zinc/37/69/76/309376976.db2.gz AKCPKDFKCIRWPL-QUCCMNQESA-N 2 0 330.472 3.181 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)CN(C)Cc1ccccc1 ZINC000423020823 309381302 /nfs/dbraw/zinc/38/13/02/309381302.db2.gz AMEKMVIUHXGSOF-CVEARBPZSA-N 2 0 326.488 3.020 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@H]1NC1CC([NH+]2CCC(C(F)(F)F)CC2)C1 ZINC000423089537 309385417 /nfs/dbraw/zinc/38/54/17/309385417.db2.gz VIUWMESAIJEMQQ-QDIHITRGSA-N 2 0 333.442 3.041 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423138398 309387953 /nfs/dbraw/zinc/38/79/53/309387953.db2.gz JFHKXXOVUVGWMX-BPUTZDHNSA-N 2 0 341.293 3.039 10 0 EGAERP C[C@H]([NH2+]CCCN1CC[NH2+]CC1)c1ccc(-c2ccccc2)s1 ZINC000423177401 309389329 /nfs/dbraw/zinc/38/93/29/309389329.db2.gz DUMHDUDSVUTZMP-INIZCTEOSA-N 2 0 329.513 3.361 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423292538 309394263 /nfs/dbraw/zinc/39/42/63/309394263.db2.gz NGTCUIJKWRALQO-PAXLWEDBSA-N 3 0 337.467 3.052 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+][C@H](Cc1ccccc1Br)C1CC1 ZINC000423363229 309397061 /nfs/dbraw/zinc/39/70/61/309397061.db2.gz BPFODKOKCCONMV-OAUYIBNBSA-N 2 0 337.305 3.358 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@H]2CC[C@H](C[NH3+])CC2)cc1NC(C)=O ZINC000423422940 309399752 /nfs/dbraw/zinc/39/97/52/309399752.db2.gz LISALPHTPIWYSR-BPUTZDHNSA-N 2 0 333.476 3.069 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+]CCC2=CC[NH2+]CC2)cc1 ZINC000423559188 309406382 /nfs/dbraw/zinc/40/63/82/309406382.db2.gz OQHYUBRPJSOLJZ-INIZCTEOSA-N 2 0 329.488 3.427 10 0 EGAERP CC(C)n1cncc1C[NH2+]Cc1ccc(OCCC[NH+](C)C)cc1 ZINC000424158564 309431419 /nfs/dbraw/zinc/43/14/19/309431419.db2.gz RGYRZNBXBUEBQC-UHFFFAOYSA-N 2 0 330.476 3.084 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc3c(c2)OCCCCO3)[C@@H](C)C1 ZINC000449032298 310031135 /nfs/dbraw/zinc/03/11/35/310031135.db2.gz WXXMQCOQHMPYHL-WMZOPIPTSA-N 2 0 332.488 3.400 10 0 EGAERP Cc1n[nH]cc1CCC[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449076383 310035063 /nfs/dbraw/zinc/03/50/63/310035063.db2.gz PIAHERHPRYCPOP-QGZVFWFLSA-N 2 0 340.515 3.336 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCSCCCO)CC1 ZINC000449127379 310038955 /nfs/dbraw/zinc/03/89/55/310038955.db2.gz OXDUDBBCNCKWGX-UHFFFAOYSA-N 2 0 330.582 3.371 10 0 EGAERP CCC(CC)[C@@H](O)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449154061 310040766 /nfs/dbraw/zinc/04/07/66/310040766.db2.gz GZWSREFFKVGDHN-UTKZUKDTSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@H]2CCC[C@@H](O)C2)CC1 ZINC000449165453 310041637 /nfs/dbraw/zinc/04/16/37/310041637.db2.gz WCYLNPFHVKKCAX-SLYNCCJLSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2C[N@@H+](C3CC3)C[C@H]2C)CC1 ZINC000449184846 310043063 /nfs/dbraw/zinc/04/30/63/310043063.db2.gz AKYUCEFCGIIRDA-FGSXEWAUSA-N 2 0 341.543 3.154 10 0 EGAERP CC(C)[C@H]([NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C(C)(C)O ZINC000449276691 310049486 /nfs/dbraw/zinc/04/94/86/310049486.db2.gz CSMXNQXCESPFKT-XLIONFOSSA-N 2 0 332.532 3.467 10 0 EGAERP c1ccc(C[N@@H+]2C[C@H]3[C@@H](C2)CCC[C@H]3[NH2+]CC2=CCOCC2)cc1 ZINC000449403274 310059050 /nfs/dbraw/zinc/05/90/50/310059050.db2.gz PGNFHJYSQKTALE-QHAWAJNXSA-N 2 0 326.484 3.223 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CCCCC3(F)F)CC2)CC1 ZINC000450637447 310134240 /nfs/dbraw/zinc/13/42/40/310134240.db2.gz QPMSBMSTFCDIJE-QGZVFWFLSA-N 2 0 343.506 3.302 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCCCN1CCO)c1ccccc1OC(F)(F)F ZINC000453259770 310267487 /nfs/dbraw/zinc/26/74/87/310267487.db2.gz IMBSMXLBFDROOC-KGLIPLIRSA-N 2 0 346.393 3.083 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CC(C)(CCOC)C2)CC1 ZINC000459640039 310565822 /nfs/dbraw/zinc/56/58/22/310565822.db2.gz WYHHKDMBQJZZME-UHFFFAOYSA-N 2 0 345.531 3.077 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)CC1 ZINC000495094475 311537470 /nfs/dbraw/zinc/53/74/70/311537470.db2.gz QEKLZNOOIRTCLP-INIZCTEOSA-N 2 0 331.504 3.161 10 0 EGAERP COc1ccccc1/C=C\C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000512468073 312186608 /nfs/dbraw/zinc/18/66/08/312186608.db2.gz HWEIQSCECSBBEE-XQRVVYSFSA-N 2 0 344.499 3.143 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(CC)(CC)CO)CC1 ZINC000513488570 312211513 /nfs/dbraw/zinc/21/15/13/312211513.db2.gz XKWQSNRSFDTNCC-UHFFFAOYSA-N 2 0 347.547 3.107 10 0 EGAERP CC[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@@H]21)N1CCc2ccccc2C1 ZINC000514096586 312224694 /nfs/dbraw/zinc/22/46/94/312224694.db2.gz XBRNKNHNKCHSSI-YSFYHYPLSA-N 2 0 341.543 3.286 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538062761 314225370 /nfs/dbraw/zinc/22/53/70/314225370.db2.gz OHSLDSBDNQRUJD-JXFKEZNVSA-N 2 0 333.495 3.201 10 0 EGAERP CCn1nccc1CC[NH2+]C1[C@@H](C)C[NH+](Cc2ccccc2)C[C@@H]1C ZINC000562630785 315865976 /nfs/dbraw/zinc/86/59/76/315865976.db2.gz SXIQDQSGKQNYCC-ROUUACIJSA-N 2 0 340.515 3.192 10 0 EGAERP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)C1CCCCC1 ZINC000563725794 316061722 /nfs/dbraw/zinc/06/17/22/316061722.db2.gz RDELVNJGGQMBAV-IBGZPJMESA-N 2 0 335.536 3.068 10 0 EGAERP COCC1(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC1 ZINC000564960745 316238068 /nfs/dbraw/zinc/23/80/68/316238068.db2.gz HKHYQWFAJKGXMP-UHFFFAOYSA-N 2 0 345.531 3.123 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)Nc2ccc(C[NH+]3CCCC[C@H]3C)cc2)C1 ZINC000572614564 317365248 /nfs/dbraw/zinc/36/52/48/317365248.db2.gz BGKXIRSNKSLCIL-DLBZAZTESA-N 2 0 329.488 3.341 10 0 EGAERP Cc1nc(CNc2cccc(C[N@@H+]3C[C@@H](C)O[C@@H](C)C3)c2)[nH]c1C ZINC000572663204 317371638 /nfs/dbraw/zinc/37/16/38/317371638.db2.gz HZLIMFDWEZKONI-OKILXGFUSA-N 2 0 328.460 3.248 10 0 EGAERP c1ccc2c(c1)CC[C@@H](C[NH+]1CCC(CC[NH+]3CCOCC3)CC1)C2 ZINC000575085675 324413342 /nfs/dbraw/zinc/41/33/42/324413342.db2.gz WOLGKVXHRFNSBZ-HXUWFJFHSA-N 2 0 342.527 3.226 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC(NCC[N@@H+]2CC[C@@H](C)C2)CC1 ZINC000578953527 325040269 /nfs/dbraw/zinc/04/02/69/325040269.db2.gz FKNULQHCRQEPMY-MOPGFXCFSA-N 2 0 329.532 3.013 10 0 EGAERP CCC1(C[NH2+]C[C@@H](O)C(F)(F)F)CC[NH+](Cc2ccccc2)CC1 ZINC000579228520 325080318 /nfs/dbraw/zinc/08/03/18/325080318.db2.gz QVOMTNKUBWNTDZ-MRXNPFEDSA-N 2 0 344.421 3.192 10 0 EGAERP C[C@H](NC[C@@H]1CCCC[N@H+](Cc2ccccc2)C1)[C@H]1CCC[NH2+]C1 ZINC000579699575 325146725 /nfs/dbraw/zinc/14/67/25/325146725.db2.gz VHCPDDPHNCDGAO-JBACZVJFSA-N 2 0 329.532 3.266 10 0 EGAERP c1nc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cs1 ZINC000241383379 455267628 /nfs/dbraw/zinc/26/76/28/455267628.db2.gz MUYFVQRVMNTVMC-YTQUADARSA-N 2 0 327.497 3.186 10 0 EGAERP FC(F)(F)COc1cccc(C[N@@H+]2CCC[C@H]3C[NH2+]CC[C@H]32)c1 ZINC000631887916 460589120 /nfs/dbraw/zinc/58/91/20/460589120.db2.gz RMXBAOZCOMOCOB-GOEBONIOSA-N 2 0 328.378 3.202 10 0 EGAERP c1[nH]nc2c1C[C@@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)CC2 ZINC000245679347 455353779 /nfs/dbraw/zinc/35/37/79/455353779.db2.gz ILMNVQGEISXKTN-LWYYNNOASA-N 2 0 336.483 3.052 10 0 EGAERP C[N@@H+]1CC[C@@H](N[C@@H](Cn2ccccc2=O)c2ccccc2)CC1(C)C ZINC000623515581 460591893 /nfs/dbraw/zinc/59/18/93/460591893.db2.gz HHKLGJIBLPNAIN-MOPGFXCFSA-N 2 0 339.483 3.052 10 0 EGAERP c1ccc(CSCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1 ZINC000600776203 460600069 /nfs/dbraw/zinc/60/00/69/460600069.db2.gz WRJUOIPVZGVKID-LJQANCHMSA-N 2 0 334.529 3.010 10 0 EGAERP C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000076149001 453971152 /nfs/dbraw/zinc/97/11/52/453971152.db2.gz RFFPGVHNTJYSSO-ZWKOTPCHSA-N 2 0 343.515 3.019 10 0 EGAERP c1[nH]nc(-c2cc3ccccc3o2)c1C[NH2+]C[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000071825212 454225125 /nfs/dbraw/zinc/22/51/25/454225125.db2.gz JAQQSNXYJXMWLY-AWEZNQCLSA-N 2 0 336.439 3.397 10 0 EGAERP CC(C)[C@H](C[NH2+][C@H](C)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000132491463 454343536 /nfs/dbraw/zinc/34/35/36/454343536.db2.gz MNMZTZKIOJJFHA-WBVHZDCISA-N 2 0 335.561 3.159 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132573866 454349899 /nfs/dbraw/zinc/34/98/99/454349899.db2.gz ZMTQVNWWEDRLAT-IUODEOHRSA-N 2 0 327.394 3.409 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C[N@H+](CC)C(C)C)cc1 ZINC000101641206 454479333 /nfs/dbraw/zinc/47/93/33/454479333.db2.gz HLLWAKPIYXWSRI-QGZVFWFLSA-N 2 0 333.520 3.377 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000121819944 454481460 /nfs/dbraw/zinc/48/14/60/454481460.db2.gz QANDUTYZNNOLES-INIZCTEOSA-N 2 0 327.476 3.040 10 0 EGAERP Cc1ccc(-c2n[nH]cc2C[NH+]2CCC(C[NH+]3CCCC3)CC2)o1 ZINC000134193413 454513498 /nfs/dbraw/zinc/51/34/98/454513498.db2.gz WEQHMHYMFQFMBI-UHFFFAOYSA-N 2 0 328.460 3.286 10 0 EGAERP NC(=O)[C@@H]1CCCN1CCC[NH2+][C@H]1CCCC[C@@H](c2ccccc2)C1 ZINC000623618779 460643534 /nfs/dbraw/zinc/64/35/34/460643534.db2.gz DOZFNCIAWKCUPW-AABGKKOBSA-N 2 0 343.515 3.032 10 0 EGAERP Cc1nccn1-c1ccc([C@H](C)[NH2+][C@H]2Cc3ccccc3[C@@H]2O)cc1 ZINC000124253364 454710079 /nfs/dbraw/zinc/71/00/79/454710079.db2.gz FJBKJEIMYQIQBW-WVFSVQOHSA-N 2 0 333.435 3.490 10 0 EGAERP CC1CC[NH+](Cc2ccc(NC(=O)[C@H]3CCC[C@@H]([NH3+])C3)cc2)CC1 ZINC000164559882 454884438 /nfs/dbraw/zinc/88/44/38/454884438.db2.gz KVBVHURTMPAFGU-ZWKOTPCHSA-N 2 0 329.488 3.375 10 0 EGAERP CCc1ccc(CN2CC[NH+](CCCn3ccnc3C)CC2)s1 ZINC000127369010 454957721 /nfs/dbraw/zinc/95/77/21/454957721.db2.gz LDEJCGNVRFOZGA-UHFFFAOYSA-N 2 0 332.517 3.023 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CCCOc3cc(C)c(C)cc32)CC1 ZINC000155658900 455027694 /nfs/dbraw/zinc/02/76/94/455027694.db2.gz WPDVBENBNQHMFQ-AZUAARDMSA-N 2 0 345.531 3.133 10 0 EGAERP COc1cc(C[NH2+]CC2CC[NH+](Cc3cccs3)CC2)ccc1O ZINC000180117281 455134780 /nfs/dbraw/zinc/13/47/80/455134780.db2.gz WDXVEZFIZGYCIU-UHFFFAOYSA-N 2 0 346.496 3.464 10 0 EGAERP C[N@@H+]1CCC[C@H]2C[NH+](CCCc3nc(-c4cccs4)no3)CC[C@@H]21 ZINC000158506034 455308900 /nfs/dbraw/zinc/30/89/00/455308900.db2.gz AHHVISZZASQLSJ-GJZGRUSLSA-N 2 0 346.500 3.147 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[C@@H]([NH3+])C1)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000246237197 455455247 /nfs/dbraw/zinc/45/52/47/455455247.db2.gz IITACSNDQMBPRD-AQNXPRMDSA-N 2 0 343.515 3.017 10 0 EGAERP CC(C)N1C[C@@H](C)[C@H]([NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)C1 ZINC000246491059 455499615 /nfs/dbraw/zinc/49/96/15/455499615.db2.gz RWDYGVZURRJVJK-FUHIMQAGSA-N 2 0 333.520 3.006 10 0 EGAERP COc1cc(Br)ccc1[C@@H](C)[NH2+]C1CCN(C)CC1 ZINC000191628957 455505541 /nfs/dbraw/zinc/50/55/41/455505541.db2.gz JAMWDISMAURZTA-LLVKDONJSA-N 2 0 327.266 3.203 10 0 EGAERP CCOc1ccc(C(C)=O)cc1CN(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000247218665 455574573 /nfs/dbraw/zinc/57/45/73/455574573.db2.gz RBGAJAQLYDRGKF-HNAYVOBHSA-N 2 0 332.488 3.450 10 0 EGAERP CCn1nccc1CC[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000284583071 455710202 /nfs/dbraw/zinc/71/02/02/455710202.db2.gz ZRSZTHANTYIIEZ-UHFFFAOYSA-N 2 0 341.503 3.079 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@@H](c2ccc(F)cc2)C2CC2)ccn1 ZINC000271647927 455711182 /nfs/dbraw/zinc/71/11/82/455711182.db2.gz FOXRMOCUQDCACO-HXUWFJFHSA-N 2 0 343.446 3.402 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248393263 455712570 /nfs/dbraw/zinc/71/25/70/455712570.db2.gz DTPBXAXZZQUTIR-GXRSIYKFSA-N 2 0 341.543 3.219 10 0 EGAERP Cc1cccc(C)c1NC(=O)CCC[NH+]1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000252653008 455824369 /nfs/dbraw/zinc/82/43/69/455824369.db2.gz RIQKZJNYXQTDLC-RBUKOAKNSA-N 2 0 343.515 3.438 10 0 EGAERP F[C@@H]1CN[C@@H](c2nc(-c3cccc(C[NH+]4CCCCC4)c3)no2)C1 ZINC000261714654 455933568 /nfs/dbraw/zinc/93/35/68/455933568.db2.gz JDXVXXRFXUOFDH-JKSUJKDBSA-N 2 0 330.407 3.095 10 0 EGAERP COc1cc(CN(C[C@@]2(C)CC[NH2+]C2)C2CC2)ccc1OC(F)F ZINC000261895965 455966999 /nfs/dbraw/zinc/96/69/99/455966999.db2.gz UWXCXSZKOUWVAO-SFHVURJKSA-N 2 0 340.414 3.261 10 0 EGAERP C[C@H]([NH2+]C[C@@H](CO)c1ccccc1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572603 455999812 /nfs/dbraw/zinc/99/98/12/455999812.db2.gz IODFXVFSXAKRGI-BWAGFHJFSA-N 2 0 338.495 3.263 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2CNC[C@@H](C)[NH+](CC)CC)CC1 ZINC000236783418 456183629 /nfs/dbraw/zinc/18/36/29/456183629.db2.gz LXCIDGAFRYRWQT-LJQANCHMSA-N 2 0 346.563 3.039 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N3CC[C@@H]4[C@H](CCC[NH+]4C4CC4)C3)C2)cc1 ZINC000271254495 456193956 /nfs/dbraw/zinc/19/39/56/456193956.db2.gz GFCYRROOVVDISN-BAGYTPMASA-N 2 0 339.527 3.210 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)c1ccsc1 ZINC000236882054 456196146 /nfs/dbraw/zinc/19/61/46/456196146.db2.gz CFFXQRBBPZKHHY-LEUOFYLZSA-N 2 0 349.544 3.168 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000273180108 456203624 /nfs/dbraw/zinc/20/36/24/456203624.db2.gz GUPAKLIXILNDHE-FQEVSTJZSA-N 2 0 343.559 3.356 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000352929107 456419987 /nfs/dbraw/zinc/41/99/87/456419987.db2.gz BKDCKZJYGFGWHR-AEFFLSMTSA-N 2 0 331.504 3.494 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(C(F)(F)F)n2)[C@@H]2CCC[C@H]21 ZINC000340424192 456452800 /nfs/dbraw/zinc/45/28/00/456452800.db2.gz BVVSUAQOIOSWML-SOUVJXGZSA-N 2 0 327.394 3.105 10 0 EGAERP COC1(C[C@@H](C)[NH2+]C[C@@H]2CC[N@H+](CCc3ccccc3)C2)CCC1 ZINC000277057216 456666435 /nfs/dbraw/zinc/66/64/35/456666435.db2.gz HRXIMQXTPHKXEL-QUCCMNQESA-N 2 0 330.516 3.488 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOc2cccc3cccnc32)[C@H]2CCC[C@@H]21 ZINC000353406450 456680532 /nfs/dbraw/zinc/68/05/32/456680532.db2.gz UJNPJNVHHUYSMW-QYZOEREBSA-N 2 0 339.483 3.466 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2ccc(C)nc2)CC1 ZINC000343589887 456727928 /nfs/dbraw/zinc/72/79/28/456727928.db2.gz LBNJYNMMOCEHET-UHFFFAOYSA-N 2 0 338.499 3.212 10 0 EGAERP C[C@H](C(=O)Nc1cccc2ccccc21)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292162858 456873136 /nfs/dbraw/zinc/87/31/36/456873136.db2.gz OTBOECCCGUPZNX-IERDGZPVSA-N 2 0 337.467 3.194 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2ccccc21)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000292162853 456873189 /nfs/dbraw/zinc/87/31/89/456873189.db2.gz OTBOECCCGUPZNX-HRAATJIYSA-N 2 0 337.467 3.194 10 0 EGAERP c1ccc(C[NH+]2CCCCC2)c(C[NH2+][C@H]2CC[N@@H+]3CCC[C@@H]3C2)c1 ZINC000339067406 456924169 /nfs/dbraw/zinc/92/41/69/456924169.db2.gz HQNAYYHVWXCSLF-LEWJYISDSA-N 2 0 327.516 3.389 10 0 EGAERP CCO[C@H]1C[C@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000346164242 457021405 /nfs/dbraw/zinc/02/14/05/457021405.db2.gz HKFYKAHHAPNDMG-OALUTQOASA-N 2 0 340.471 3.355 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(C)CCOCC2)CC1 ZINC000346799073 457177567 /nfs/dbraw/zinc/17/75/67/457177567.db2.gz BRYMMQISSWATJO-UHFFFAOYSA-N 2 0 345.531 3.125 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)CC[C@@H]1CCCC[N@@H+]1C ZINC000355015130 457335455 /nfs/dbraw/zinc/33/54/55/457335455.db2.gz LEZLGYNLDKVKKY-SFHVURJKSA-N 2 0 325.541 3.077 10 0 EGAERP CC[N@H+](CCC1CC[NH+]([C@@H]2CCN(C(C)(C)C)C2=O)CC1)CC1CC1 ZINC000425461306 457563458 /nfs/dbraw/zinc/56/34/58/457563458.db2.gz RXHJWSHDYNIGGV-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP Cc1csc(N2CCC([NH2+]C3CC([NH+]4CCCCC4)C3)CC2)n1 ZINC000361424880 457728102 /nfs/dbraw/zinc/72/81/02/457728102.db2.gz ARWCGDZWHUHZGY-UHFFFAOYSA-N 2 0 334.533 3.027 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CCOc1ncccc1F ZINC000358343413 457946297 /nfs/dbraw/zinc/94/62/97/457946297.db2.gz HSFIEYLHZVQYGB-LPHOPBHVSA-N 2 0 343.446 3.100 10 0 EGAERP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21)Cc1ccccc1 ZINC000367605177 457965863 /nfs/dbraw/zinc/96/58/63/457965863.db2.gz FNUUTWVKIVXQFC-URZNZNTCSA-N 2 0 330.516 3.079 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1cn(C2CCCC2)nc1-c1ccccn1 ZINC000459382817 458352507 /nfs/dbraw/zinc/35/25/07/458352507.db2.gz AITIZEBRJPDPNX-UHFFFAOYSA-N 2 0 341.503 3.492 10 0 EGAERP CC[C@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1cc(F)ccc1F ZINC000423508128 458446605 /nfs/dbraw/zinc/44/66/05/458446605.db2.gz KNGCPGHRNLKLKC-RJYAGPCLSA-N 2 0 337.458 3.222 10 0 EGAERP Cc1ccc(C[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423525754 458450897 /nfs/dbraw/zinc/45/08/97/458450897.db2.gz YODITLIAERILMJ-HRTMPFAESA-N 2 0 341.543 3.122 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000423542902 458454505 /nfs/dbraw/zinc/45/45/05/458454505.db2.gz GXKAFSRLUOGVLO-IWLVTHKOSA-N 3 0 341.543 3.060 10 0 EGAERP C[C@H]([C@H](C)O)[N@@H+]1CC(C)(C)[C@H]1C1CC[NH+](Cc2ccccc2)CC1 ZINC000453020405 458516845 /nfs/dbraw/zinc/51/68/45/458516845.db2.gz PGMWQEUQLQLUHK-FUHIMQAGSA-N 2 0 330.516 3.378 10 0 EGAERP CC(C)(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1)c1ccccc1 ZINC000438726472 458612433 /nfs/dbraw/zinc/61/24/33/458612433.db2.gz SBZOGTOLIKRNFV-FQEVSTJZSA-N 2 0 343.515 3.106 10 0 EGAERP CC1CC[NH+](C[C@H]2CCCN(C(=O)CC[C@H]3CCCC[N@@H+]3C)C2)CC1 ZINC000431771346 458621446 /nfs/dbraw/zinc/62/14/46/458621446.db2.gz NSKYOSFMFIUICM-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP Brc1ccc2c(c1)CC[C@@H](N[C@H]1CC[NH2+]C13CCC3)C2 ZINC000530176595 458707793 /nfs/dbraw/zinc/70/77/93/458707793.db2.gz CKFZNAJCANBMEP-CVEARBPZSA-N 2 0 335.289 3.181 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1C[C@@H](OC(C)C)C1(C)C ZINC000547331835 458721453 /nfs/dbraw/zinc/72/14/53/458721453.db2.gz GNDOHCCJUYKZLY-QZTJIDSGSA-N 2 0 328.460 3.257 10 0 EGAERP CC1CC[NH+](Cc2ccc(C[NH2+][C@H]3CCC(=O)NC3(C)C)cc2)CC1 ZINC000494881393 458760838 /nfs/dbraw/zinc/76/08/38/458760838.db2.gz WAOFHTUITFJZND-IBGZPJMESA-N 2 0 343.515 3.065 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCN(Cc3ccccc3)CC2)[C@H]1C ZINC000494926072 458766173 /nfs/dbraw/zinc/76/61/73/458766173.db2.gz WCQIEVHBKZZSSF-SVFBPWRDSA-N 2 0 329.532 3.219 10 0 EGAERP FC(F)(F)c1ccc([C@@H]2CCCC[N@@H+]2CCN2CC[NH2+]CC2)cc1 ZINC000519156743 458921714 /nfs/dbraw/zinc/92/17/14/458921714.db2.gz KFXLBZXRRJEHCO-KRWDZBQOSA-N 2 0 341.421 3.138 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000576979502 458958692 /nfs/dbraw/zinc/95/86/92/458958692.db2.gz KABGWZBNASTKHP-SFHVURJKSA-N 2 0 348.531 3.261 10 0 EGAERP C[C@H]1CN(C)C[C@H]1[NH2+]CCCC[NH+]1CCC(Cc2ccccc2)CC1 ZINC000531970022 459009678 /nfs/dbraw/zinc/00/96/78/459009678.db2.gz YIYMURNPVGATAL-SIKLNZKXSA-N 2 0 343.559 3.261 10 0 EGAERP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)ccc1OC ZINC000556868433 459024656 /nfs/dbraw/zinc/02/46/56/459024656.db2.gz PSILRYMRTHDLAN-OTWHNJEPSA-N 2 0 346.515 3.489 10 0 EGAERP Cc1cc([C@H]([NH2+]CCN2CC[N@@H+](C)C(C)(C)C2)C2CC2)ccc1F ZINC000442887965 459055876 /nfs/dbraw/zinc/05/58/76/459055876.db2.gz CJAZRPSOXWOQSZ-LJQANCHMSA-N 2 0 333.495 3.201 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@H]3C1)CCC2 ZINC000594493760 459059199 /nfs/dbraw/zinc/05/91/99/459059199.db2.gz KJRDXLNRHGPGTC-JENIJYKNSA-N 2 0 328.456 3.067 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H](C)C2CCC(F)(F)CC2)CC[NH2+]CC1 ZINC000594585166 459097530 /nfs/dbraw/zinc/09/75/30/459097530.db2.gz QKWANSKTEZSICI-KBPBESRZSA-N 2 0 346.462 3.111 10 0 EGAERP C[C@H]1CN(C)C[C@@H]1[NH2+]CC1CC[NH+](Cc2ccccc2Cl)CC1 ZINC000532514668 459104187 /nfs/dbraw/zinc/10/41/87/459104187.db2.gz MTLAZMIZKIKUSG-KXBFYZLASA-N 2 0 335.923 3.092 10 0 EGAERP C[NH2+][C@H](CC(C)(C)C)C(=O)N[C@H](C)c1ccc(-n2ccnc2C)cc1 ZINC000567499410 459117031 /nfs/dbraw/zinc/11/70/31/459117031.db2.gz YFSWVBQZEWFURG-RDTXWAMCSA-N 2 0 342.487 3.382 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](C[NH2+]C[C@H](O)COc2ccccc2C(C)C)C1 ZINC000567684356 459144685 /nfs/dbraw/zinc/14/46/85/459144685.db2.gz HLVKHNMLTZLDFN-MOPGFXCFSA-N 2 0 348.531 3.117 10 0 EGAERP CCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000568050758 459214752 /nfs/dbraw/zinc/21/47/52/459214752.db2.gz DVRHGIGYACLHBQ-ZCNNSNEGSA-N 2 0 328.500 3.358 10 0 EGAERP CSCC1CCC([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CC1 ZINC000595048678 459228553 /nfs/dbraw/zinc/22/85/53/459228553.db2.gz LABJNCSSWWRDSN-UHFFFAOYSA-N 2 0 340.577 3.389 10 0 EGAERP CC[NH+]1CCN([C@H]2CC[N@H+](Cc3c(C)c(C)c(C)c(C)c3C)C2)CC1 ZINC000483386014 459364857 /nfs/dbraw/zinc/36/48/57/459364857.db2.gz UKOSURLCHJXPJW-NRFANRHFSA-N 2 0 343.559 3.441 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc3ccccc3n(C)c2=O)CC1 ZINC000569588224 459475986 /nfs/dbraw/zinc/47/59/86/459475986.db2.gz JEIGQHPPMKSGEO-UHFFFAOYSA-N 2 0 341.499 3.092 10 0 EGAERP C[C@H](CC(=O)Nc1cccc(C(F)(F)F)c1)N[C@H]1CCCC[NH2+]C1 ZINC000562748209 459640818 /nfs/dbraw/zinc/64/08/18/459640818.db2.gz ZUVDVRBHZKFQET-DOMZBBRYSA-N 2 0 343.393 3.154 10 0 EGAERP C[C@H]([NH2+]Cc1cccnc1N1CC[NH+](C)CC1)C1CCCCCC1 ZINC000543407840 459654663 /nfs/dbraw/zinc/65/46/63/459654663.db2.gz XJBJKXYEEBOETI-KRWDZBQOSA-N 2 0 330.520 3.282 10 0 EGAERP CC(C)c1ncc2c(n1)CCN(Cc1cc(-n3ccnc3)cs1)C2 ZINC000527617636 459671331 /nfs/dbraw/zinc/67/13/31/459671331.db2.gz BZIMVEQYPUVUPN-UHFFFAOYSA-N 2 0 339.468 3.406 10 0 EGAERP O[C@@H](C[NH2+]C1CC[NH+](C2CCCCC2)CC1)Cc1ccc(F)cc1 ZINC000562989923 459687128 /nfs/dbraw/zinc/68/71/28/459687128.db2.gz BTOBKTAQCGEJKB-HXUWFJFHSA-N 2 0 334.479 3.116 10 0 EGAERP CC(C)n1ccc(C[C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)n1 ZINC000573555899 459695707 /nfs/dbraw/zinc/69/57/07/459695707.db2.gz RQAPFQUNRFYWDI-UABJAZSOSA-N 2 0 330.520 3.138 10 0 EGAERP C[C@H](c1ccccc1)N1CC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2C)C1 ZINC000527809930 459745274 /nfs/dbraw/zinc/74/52/74/459745274.db2.gz UKVSDCMPBRYAJC-MMOPVJDHSA-N 2 0 349.478 3.238 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+]C2(c3ccccc3C)CCC2)CC[NH2+]CC1 ZINC000593320542 459840446 /nfs/dbraw/zinc/84/04/46/459840446.db2.gz SWKZMODSCOWLFV-QGZVFWFLSA-N 2 0 344.499 3.285 10 0 EGAERP CCC[NH+]1CCC([NH2+]C[C@@H]2CCCc3ccc(C(=O)OC)cc32)CC1 ZINC000597202177 459875006 /nfs/dbraw/zinc/87/50/06/459875006.db2.gz SXPBEIAHEKQLQR-SFHVURJKSA-N 2 0 344.499 3.357 10 0 EGAERP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](c2ccsc2)O1 ZINC000574881652 459887605 /nfs/dbraw/zinc/88/76/05/459887605.db2.gz GZNNAALPWHCPLS-AUUYWEPGSA-N 2 0 328.481 3.356 10 0 EGAERP CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000575195073 459946131 /nfs/dbraw/zinc/94/61/31/459946131.db2.gz ASSVTGVHCQBHRF-DACLVMHWSA-N 2 0 339.886 3.474 10 0 EGAERP c1coc(CC2C[NH+](Cc3ccc(OCC[NH+]4CCCC4)cc3)C2)c1 ZINC000628431672 460414508 /nfs/dbraw/zinc/41/45/08/460414508.db2.gz CULDUCGVOXGHQB-UHFFFAOYSA-N 2 0 340.467 3.429 10 0 EGAERP COc1ccccc1[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623337410 460495663 /nfs/dbraw/zinc/49/56/63/460495663.db2.gz JBZZKNURCOIHQE-IEBWSBKVSA-N 2 0 345.531 3.295 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1(C)C ZINC000623376277 460516943 /nfs/dbraw/zinc/51/69/43/460516943.db2.gz MRFYWCYJKFRENY-FQEVSTJZSA-N 3 0 329.532 3.361 10 0 EGAERP C[N@@H+]1CC[C@H](NCC2([NH+]3CCSCC3)CCCCC2)CC1(C)C ZINC000623415328 460535931 /nfs/dbraw/zinc/53/59/31/460535931.db2.gz HQERVMREGXQRCG-KRWDZBQOSA-N 2 0 339.593 3.201 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1c1ccc(C(F)(F)F)cc1 ZINC000629404480 460748384 /nfs/dbraw/zinc/74/83/84/460748384.db2.gz OFQIDNCFPMCMIP-JKSUJKDBSA-N 2 0 330.394 3.167 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2([NH3+])CCOCC2)c2cccc(Br)c21 ZINC000629519610 460792316 /nfs/dbraw/zinc/79/23/16/460792316.db2.gz BVULYQBBDGNMIM-SMDDNHRTSA-N 2 0 339.277 3.095 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@H]1CCCCO1 ZINC000623979638 460808345 /nfs/dbraw/zinc/80/83/45/460808345.db2.gz HVWDVSMYDYGTLO-OXJNMPFZSA-N 2 0 332.488 3.207 10 0 EGAERP CC[NH+](CC)CC(=O)Nc1cccc(N[C@@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623983917 460811063 /nfs/dbraw/zinc/81/10/63/460811063.db2.gz RHISTLGBJSOWMT-GOSISDBHSA-N 2 0 346.519 3.252 10 0 EGAERP C[N@@H+]1CCC[C@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000624271924 460942247 /nfs/dbraw/zinc/94/22/47/460942247.db2.gz MSBYHFVWGWJFAC-DOIPELPJSA-N 2 0 327.516 3.113 10 0 EGAERP Cc1ncc(C[NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)o1 ZINC000628227485 461054638 /nfs/dbraw/zinc/05/46/38/461054638.db2.gz IBSHHUCCIZJDMZ-UHFFFAOYSA-N 2 0 343.471 3.144 10 0 EGAERP C[N@H+](CCCN1CC[NH+](C)CC1)Cc1cccc(C2CCCC2)c1 ZINC000668163167 461147986 /nfs/dbraw/zinc/14/79/86/461147986.db2.gz VCSAXPYDJYIVLL-UHFFFAOYSA-N 2 0 329.532 3.414 10 0 EGAERP CC(C)N(C(=O)C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1)c1ccccc1 ZINC000662294113 461172429 /nfs/dbraw/zinc/17/24/29/461172429.db2.gz JALNAOYWRBTVIU-LJQANCHMSA-N 2 0 343.515 3.140 10 0 EGAERP c1ccc(CCOCCC[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cc1 ZINC000662294196 461173345 /nfs/dbraw/zinc/17/33/45/461173345.db2.gz BXAVKBUOHNAYPH-NRFANRHFSA-N 2 0 330.516 3.347 10 0 EGAERP Fc1cccc(-n2ccc(C[N@@H+]3CCC[C@H](C4CC[NH2+]CC4)C3)n2)c1 ZINC000662299139 461178167 /nfs/dbraw/zinc/17/81/67/461178167.db2.gz ZYHLCTJJQSLRSJ-KRWDZBQOSA-N 2 0 342.462 3.223 10 0 EGAERP C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662402030 461231457 /nfs/dbraw/zinc/23/14/57/461231457.db2.gz FGNUIARWZXWRNA-MDZRGWNJSA-N 2 0 343.515 3.094 10 0 EGAERP CC(C)CC[C@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000638114812 461249815 /nfs/dbraw/zinc/24/98/15/461249815.db2.gz YQRISQVMZXDIRB-NXEWRWPSSA-N 2 0 343.515 3.062 10 0 EGAERP CC[C@H]1CCCC[N@@H+]1CCNC(=O)c1ccc2c(c1)[C@@H](C[NH3+])CCC2 ZINC000662459471 461251800 /nfs/dbraw/zinc/25/18/00/461251800.db2.gz ZPQVNUHRNPOCTI-MOPGFXCFSA-N 2 0 343.515 3.060 10 0 EGAERP c1ccc(N2CC[C@@H](C[N@@H+]3CC[C@H](C[NH+]4CCCCC4)C3)C2)cc1 ZINC000638122056 461255804 /nfs/dbraw/zinc/25/58/04/461255804.db2.gz KJAFNZBQZOUCJE-UXHICEINSA-N 2 0 327.516 3.321 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2CC[C@@](C)(c3cccc(F)c3)C2)CC1 ZINC000649662469 461259045 /nfs/dbraw/zinc/25/90/45/461259045.db2.gz FSNSDVKMAZDOGD-OAQYLSRUSA-N 2 0 347.522 3.205 10 0 EGAERP C[C@@H]1CC[C@H]([NH2+]Cc2ccccc2C[N@@H+]2CCC[C@H]2CO)CS1 ZINC000655751412 461418056 /nfs/dbraw/zinc/41/80/56/461418056.db2.gz MEOAVMXXKPEFBR-MNEFBYGVSA-N 2 0 334.529 3.017 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2ccnn2-c2ccccn2)c1 ZINC000647172407 461542400 /nfs/dbraw/zinc/54/24/00/461542400.db2.gz VTCLIVGNPQUJBN-UHFFFAOYSA-N 2 0 349.482 3.399 10 0 EGAERP Cc1scc(C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)c1C ZINC000631109274 461557022 /nfs/dbraw/zinc/55/70/22/461557022.db2.gz BUSXOEVQPDWFDX-IBGZPJMESA-N 2 0 330.497 3.221 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+]Cc2oc3ccccc3c2Cl)CC1(C)C ZINC000631126750 461573789 /nfs/dbraw/zinc/57/37/89/461573789.db2.gz MBKQQWGFFBWJBX-UHFFFAOYSA-N 2 0 335.879 3.202 10 0 EGAERP COc1cc(F)cc(C[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)c1 ZINC000647249123 461588815 /nfs/dbraw/zinc/58/88/15/461588815.db2.gz CMCNEXVGGAQTFV-XLIONFOSSA-N 2 0 328.431 3.269 10 0 EGAERP CC[N@H+](CCC1CC[NH+](CCO[C@H]2CC2(F)F)CC1)CC(C)C ZINC000660171690 461620043 /nfs/dbraw/zinc/62/00/43/461620043.db2.gz LNNQLSCNONDHHG-KRWDZBQOSA-N 2 0 332.479 3.491 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@@H](C(C)C)[C@H](C)C2)CC1 ZINC000663504877 461675990 /nfs/dbraw/zinc/67/59/90/461675990.db2.gz BGQIYBWWIMWMHJ-QRQLOZEOSA-N 2 0 337.552 3.027 10 0 EGAERP Cn1cc(-c2ccc(C[N@@H+]3CCC[C@H]([C@@H]4CCC[NH2+]4)C3)s2)cn1 ZINC000647479786 461727356 /nfs/dbraw/zinc/72/73/56/461727356.db2.gz UMILQKBOJXTDQW-YOEHRIQHSA-N 2 0 330.501 3.113 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2cccnc2)cc1 ZINC000656403181 461733804 /nfs/dbraw/zinc/73/38/04/461733804.db2.gz AGWDTMTYGQQVAH-BJESRGMDSA-N 2 0 347.506 3.467 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CCc2ccccn2)cc1 ZINC000656403331 461735443 /nfs/dbraw/zinc/73/54/43/461735443.db2.gz IQAVIUYPEFASSJ-IZBOUPIGSA-N 2 0 347.506 3.467 10 0 EGAERP C[NH+](C)[C@@H]1CC[C@@H]2[C@@H](C1)OCC[N@@H+]2CCCc1c(F)cccc1F ZINC000653587778 461742669 /nfs/dbraw/zinc/74/26/69/461742669.db2.gz SCYNONMZGSUSPD-NIKGAXFTSA-N 2 0 338.442 3.081 10 0 EGAERP c1c(C[NH2+]C2CCCCC2)nnn1[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000656456297 461750171 /nfs/dbraw/zinc/75/01/71/461750171.db2.gz XKWDOCPXTHGQHB-HXUWFJFHSA-N 2 0 339.487 3.147 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+][C@H]1CC12CC[NH2+]CC2 ZINC000643535488 461757297 /nfs/dbraw/zinc/75/72/97/461757297.db2.gz FFJNNFXSKHGJOW-KBPBESRZSA-N 2 0 339.252 3.307 10 0 EGAERP CN(Cc1cccc(F)c1OC(F)F)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000660542501 461843133 /nfs/dbraw/zinc/84/31/33/461843133.db2.gz RYZBSXPSTLMWKK-PBWFPOADSA-N 2 0 328.378 3.484 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CCC[C@H]([C@H]2CCC[NH2+]2)C1 ZINC000647901602 461875736 /nfs/dbraw/zinc/87/57/36/461875736.db2.gz RDYCMDNQFMIDGK-JKSUJKDBSA-N 2 0 347.528 3.201 10 0 EGAERP c1nc(-c2ccncc2)sc1C[NH+]1CCC([C@H]2CCC[NH2+]C2)CC1 ZINC000656786130 461895932 /nfs/dbraw/zinc/89/59/32/461895932.db2.gz LCJVKHTUOVJAIZ-KRWDZBQOSA-N 2 0 342.512 3.417 10 0 EGAERP C[C@H]1C[C@@H](C[NH2+]Cc2cccc(Oc3ccc(F)cc3)n2)CC[NH2+]1 ZINC000650710099 461903984 /nfs/dbraw/zinc/90/39/84/461903984.db2.gz DMWRIBUZYTXJGP-GJZGRUSLSA-N 2 0 329.419 3.491 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000644532040 461973559 /nfs/dbraw/zinc/97/35/59/461973559.db2.gz VKMBKODROPETNL-MOPGFXCFSA-N 2 0 348.531 3.260 10 0 EGAERP CCC(CC)[C@H](CNCc1ccnn1-c1cc[nH+]cc1)[NH+]1CCCC1 ZINC000657305144 462031591 /nfs/dbraw/zinc/03/15/91/462031591.db2.gz XIKNIUGAWDDSGD-FQEVSTJZSA-N 2 0 341.503 3.258 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657311737 462035938 /nfs/dbraw/zinc/03/59/38/462035938.db2.gz SRCZILXZABPCPG-QGZVFWFLSA-N 2 0 327.476 3.012 10 0 EGAERP CCN(CC)[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccco1 ZINC000657335649 462053993 /nfs/dbraw/zinc/05/39/93/462053993.db2.gz RHPVIUSAHXKENJ-SFHVURJKSA-N 2 0 339.443 3.033 10 0 EGAERP CC[C@@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)Oc1cccc(F)c1 ZINC000657392505 462093737 /nfs/dbraw/zinc/09/37/37/462093737.db2.gz XKUBAIVLUKPIQA-SFHVURJKSA-N 2 0 340.402 3.354 10 0 EGAERP CC[NH+]1CCC(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CC1 ZINC000648448125 462123516 /nfs/dbraw/zinc/12/35/16/462123516.db2.gz BILAJCXQRNUQJN-LJQANCHMSA-N 3 0 343.559 3.404 10 0 EGAERP CCOc1cccc(C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000657534581 462170454 /nfs/dbraw/zinc/17/04/54/462170454.db2.gz BCBNKFUYVGOKOX-UHFFFAOYSA-N 2 0 332.488 3.066 10 0 EGAERP Fc1ccc(Cl)cc1C[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000657534628 462171054 /nfs/dbraw/zinc/17/10/54/462171054.db2.gz BKEPSHKAQOFZNF-UHFFFAOYSA-N 2 0 340.870 3.460 10 0 EGAERP C[C@@H]1C[C@@H]1c1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)o1 ZINC000657593616 462195214 /nfs/dbraw/zinc/19/52/14/462195214.db2.gz AVGDSGIHJVNSMN-BPAFIMBUSA-N 2 0 340.467 3.259 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)C1 ZINC000657594619 462196437 /nfs/dbraw/zinc/19/64/37/462196437.db2.gz CIBPFXZDLNPZAJ-NDXORKPFSA-N 2 0 328.500 3.335 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@H]3CCOC3)cc2)[C@H](C)C1 ZINC000667666843 462201480 /nfs/dbraw/zinc/20/14/80/462201480.db2.gz ZIBRBXZOYHAFHG-UXPWSPDFSA-N 2 0 332.488 3.016 10 0 EGAERP CCn1cncc1C[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000657773612 462261886 /nfs/dbraw/zinc/26/18/86/462261886.db2.gz UDNYVCZNUPUQCO-IBGZPJMESA-N 2 0 338.499 3.295 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1[C@@H]2Cc3cc(F)ccc3[C@@H]21 ZINC000657789303 462266683 /nfs/dbraw/zinc/26/66/83/462266683.db2.gz FVGKKEVONSBZHB-HSALFYBXSA-N 2 0 334.398 3.143 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1cccc(OCC[NH+](C)C)c1 ZINC000658053497 462358415 /nfs/dbraw/zinc/35/84/15/462358415.db2.gz BJSZOWCNVKCAAU-SJLPKXTDSA-N 2 0 333.520 3.150 10 0 EGAERP COC1CC(CC[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000658062130 462363973 /nfs/dbraw/zinc/36/39/73/462363973.db2.gz YGQZGRHPEVENHW-FQVISZRSSA-N 2 0 330.516 3.487 10 0 EGAERP [NH3+]C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665276361 462380401 /nfs/dbraw/zinc/38/04/01/462380401.db2.gz AWJMYDCZLPOMBG-ZCNNSNEGSA-N 3 0 327.516 3.006 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658136254 462400731 /nfs/dbraw/zinc/40/07/31/462400731.db2.gz GJQRLBPKLDCMHH-NHCUHLMSSA-N 2 0 339.483 3.279 10 0 EGAERP Cc1cc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)oc1C ZINC000658137180 462400756 /nfs/dbraw/zinc/40/07/56/462400756.db2.gz JMNOWEFPWBPLQD-HNAYVOBHSA-N 2 0 328.456 3.314 10 0 EGAERP Cc1ccsc1[C@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658138329 462403015 /nfs/dbraw/zinc/40/30/15/462403015.db2.gz JDYSZDZSVZPDTA-YJBOKZPZSA-N 2 0 330.497 3.474 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccc(F)c1 ZINC000658144515 462407018 /nfs/dbraw/zinc/40/70/18/462407018.db2.gz MMQSJUBTLZCPDZ-MGPUTAFESA-N 2 0 328.431 3.243 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@@H](C)C1 ZINC000658192165 462424745 /nfs/dbraw/zinc/42/47/45/462424745.db2.gz ZIHQUPZJOJRLKI-QIJZPMMNSA-N 2 0 346.515 3.323 10 0 EGAERP Cc1cncc(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)n1 ZINC000658260922 462447163 /nfs/dbraw/zinc/44/71/63/462447163.db2.gz FCXYYJHZEJLIMB-UHFFFAOYSA-N 2 0 338.499 3.360 10 0 EGAERP OC1CCC(C[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000658284234 462455197 /nfs/dbraw/zinc/45/51/97/462455197.db2.gz GCJODBYXYQEISL-JNXFOVNBSA-N 2 0 342.527 3.428 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(CO)c(F)c1)c1cccc(OCC[NH+](C)C)c1 ZINC000178562508 533917681 /nfs/dbraw/zinc/91/76/81/533917681.db2.gz CZKIRPDDMNBQDS-HNNXBMFYSA-N 2 0 346.446 3.109 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc3c(c2)COC(C)(C)O3)[C@H](C)C1 ZINC000186829857 527757213 /nfs/dbraw/zinc/75/72/13/527757213.db2.gz IKIYYJQLNJNNKN-CRAIPNDOSA-N 2 0 332.488 3.494 10 0 EGAERP CC(C)[C@H](C[NH2+][C@H]1CC[C@H](c2ccccc2)C1)N1CC[NH+](C)CC1 ZINC000130434329 529017226 /nfs/dbraw/zinc/01/72/26/529017226.db2.gz AMXXBVPPZNESBN-ACRUOGEOSA-N 2 0 329.532 3.184 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@H]2CCC[C@H]21 ZINC000353458611 535612224 /nfs/dbraw/zinc/61/22/24/535612224.db2.gz CYPLKNHOWMPCPB-HBMCJLEFSA-N 3 0 329.532 3.491 10 0 EGAERP C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH3+])cc2)[C@H]1c1cccs1 ZINC000361719170 536387326 /nfs/dbraw/zinc/38/73/26/536387326.db2.gz SRWUTCIZROESHH-AEFFLSMTSA-N 2 0 343.496 3.020 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21)C1CC[NH+](C)CC1 ZINC000310786027 547461852 /nfs/dbraw/zinc/46/18/52/547461852.db2.gz CQOCSIZJAJVPFK-GUGJDKNPSA-N 3 0 341.543 3.217 10 0 EGAERP C[C@@H](COCc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000390557220 547828481 /nfs/dbraw/zinc/82/84/81/547828481.db2.gz IKWDUACUEKYQCG-KRWDZBQOSA-N 2 0 325.456 3.245 10 0 EGAERP C[C@H]1CC[N@H+](Cc2ccccc2)CCN1CC[C@H]1CCCC[NH+]1C ZINC000675499040 548930626 /nfs/dbraw/zinc/93/06/26/548930626.db2.gz JXNANDMPIOHHBG-PZJWPPBQSA-N 2 0 329.532 3.457 10 0 EGAERP C[C@H]([NH2+][C@H]1CCN(C2CC[NH+](C)CC2)C1)c1ccc(Cl)c(F)c1 ZINC000678115210 549399481 /nfs/dbraw/zinc/39/94/81/549399481.db2.gz UPMTZHVSVJLBDP-ZFWWWQNUSA-N 2 0 339.886 3.298 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC(C)(C)[C@@H]2CCCCO2)[C@H](C)C1 ZINC000678598984 549528806 /nfs/dbraw/zinc/52/88/06/549528806.db2.gz WDNHFXQILXFAIK-QYZOEREBSA-N 2 0 340.552 3.308 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000680894192 549925118 /nfs/dbraw/zinc/92/51/18/549925118.db2.gz IUVVNZZOZIRVLW-SFHVURJKSA-N 2 0 338.499 3.068 10 0 EGAERP CO[C@H]1CCC[C@H]([NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)C1 ZINC000684391627 550323801 /nfs/dbraw/zinc/32/38/01/550323801.db2.gz CPTWVOMITMWLCP-FPOVZHCZSA-N 2 0 346.515 3.251 10 0 EGAERP C[C@@H](C[NH2+]Cc1cccc(OCc2ccccn2)c1)C[NH+]1CCCC1 ZINC000069752105 1292251091 /nfs/dbraw/zinc/25/10/91/1292251091.db2.gz ANWOBKPXWSZLFD-SFHVURJKSA-N 2 0 339.483 3.482 10 0 EGAERP COC[C@@H]1C[N@H+](C)CC12CC[NH+](Cc1ccc(Cl)c(F)c1)CC2 ZINC000169789838 1294372473 /nfs/dbraw/zinc/37/24/73/1294372473.db2.gz BUMGRXBXNYVOEL-HNNXBMFYSA-N 2 0 340.870 3.269 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000871356989 1296364691 /nfs/dbraw/zinc/36/46/91/1296364691.db2.gz RKXJOKJCOCRNOR-UHFFFAOYSA-N 2 0 343.515 3.275 10 0 EGAERP C[NH+](C)[C@@H](CC(=O)NC1CCC(C)([NH+](C)C)CC1)c1ccccc1 ZINC000871359926 1296368137 /nfs/dbraw/zinc/36/81/37/1296368137.db2.gz AIQXAKMOAKXFLF-FDYSRKEFSA-N 2 0 331.504 3.059 10 0 EGAERP CC[C@H](CCC(F)(F)F)[NH2+]Cc1cccnc1N1CC[NH+](C)CC1 ZINC000872027952 1296674090 /nfs/dbraw/zinc/67/40/90/1296674090.db2.gz NEPVRPBLHAVIHM-OAHLLOKOSA-N 2 0 344.425 3.044 10 0 EGAERP O[C@@H]1CCC[C@H]1[NH+]1CCC([NH2+][C@@H]2CCCCc3ccccc3C2)CC1 ZINC000872047409 1296696295 /nfs/dbraw/zinc/69/62/95/1296696295.db2.gz BESQVRPVGFAMNK-YPAWHYETSA-N 2 0 342.527 3.292 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cc(O)ccc1F ZINC000872084278 1296723835 /nfs/dbraw/zinc/72/38/35/1296723835.db2.gz HJCTZIKCWTUSOK-AWEZNQCLSA-N 2 0 336.451 3.073 10 0 EGAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379688116 1297538349 /nfs/dbraw/zinc/53/83/49/1297538349.db2.gz WDFNLIGOVGZTID-OTYNDTSQSA-N 2 0 327.516 3.256 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC000380986320 1297548165 /nfs/dbraw/zinc/54/81/65/1297548165.db2.gz GCOLFVAGDMELLI-UHFFFAOYSA-N 2 0 347.503 3.143 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029289 1297724065 /nfs/dbraw/zinc/72/40/65/1297724065.db2.gz IUGMHPGBYQIMGT-HOTGVXAUSA-N 2 0 327.513 3.096 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]CCC[NH+]2CCCCC2)CN1C(=O)OC(C)(C)C ZINC000399092254 1297723946 /nfs/dbraw/zinc/72/39/46/1297723946.db2.gz UJZASENSNGYBTA-IAGOWNOFSA-N 2 0 339.524 3.240 10 0 EGAERP c1ccc(C[N@@H+]2C[C@H]3CN(CCC[NH2+]C4CCCCC4)C[C@H]3C2)cc1 ZINC000705604355 1298215746 /nfs/dbraw/zinc/21/57/46/1298215746.db2.gz LHEIEZZOIHMEFS-OYRHEFFESA-N 2 0 341.543 3.363 10 0 EGAERP C[NH+]1CCC2(CC1)CC[NH+](Cc1cncc(Br)c1)CC2 ZINC000709314762 1298247551 /nfs/dbraw/zinc/24/75/51/1298247551.db2.gz OKKPBSNDPXVOHS-UHFFFAOYSA-N 2 0 338.293 3.152 10 0 EGAERP c1c(C[N@H+]2CC[C@H](OCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000710878245 1298258114 /nfs/dbraw/zinc/25/81/14/1298258114.db2.gz ZJBIAVFBTKSLLY-KRWDZBQOSA-N 2 0 328.481 3.185 10 0 EGAERP c1c(C[N@H+]2CC[C@@H](OCc3ccccc3)C2)sc2c1C[NH2+]CC2 ZINC000710878246 1298258847 /nfs/dbraw/zinc/25/88/47/1298258847.db2.gz ZJBIAVFBTKSLLY-QGZVFWFLSA-N 2 0 328.481 3.185 10 0 EGAERP CCCN(CC[NH2+]C1CCC([NH+](C)C)CC1)C(=O)OC(C)(C)C ZINC000715272374 1298279588 /nfs/dbraw/zinc/27/95/88/1298279588.db2.gz SPGRRWPPHAQHMJ-UHFFFAOYSA-N 2 0 327.513 3.096 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]C2CCC([NH+](C)C)CC2)CCN1C(=O)OC(C)(C)C ZINC000715571665 1298281446 /nfs/dbraw/zinc/28/14/46/1298281446.db2.gz OYGLFOMFNILWHY-SOEBMCCKSA-N 2 0 339.524 3.237 10 0 EGAERP C(CC[N@@H+]1CC[C@@H]2CSC[C@@H]2C1)C[NH+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879563951 1300605498 /nfs/dbraw/zinc/60/54/98/1300605498.db2.gz WURZTMHFRZMCKL-BDXSIMOUSA-N 2 0 340.602 3.136 10 0 EGAERP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@@H]2C[C@@]24CCOC4)CC3)cc1 ZINC000886099169 1303354768 /nfs/dbraw/zinc/35/47/68/1303354768.db2.gz WHMHDYIJGSOOGQ-RBBKRZOGSA-N 2 0 340.511 3.401 10 0 EGAERP COC(=O)[C@@H]1CC[C@H]([NH2+][C@H]2[C@H](C)C[N@@H+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000886540614 1303492567 /nfs/dbraw/zinc/49/25/67/1303492567.db2.gz IIYWPDLYZOBXDV-PPLKHSGQSA-N 2 0 344.499 3.074 10 0 EGAERP Cc1ccnc(N)c1C[NH+]1CCC(C[N@@H+](C)Cc2ccccc2)CC1 ZINC000893996291 1306169341 /nfs/dbraw/zinc/16/93/41/1306169341.db2.gz YKPZHXYOFUNAMX-UHFFFAOYSA-N 2 0 338.499 3.316 10 0 EGAERP COc1cc(C)cc(CN2CC[C@@H](C[NH+]3CCCCC3)C2)c1OC ZINC000894052208 1306192591 /nfs/dbraw/zinc/19/25/91/1306192591.db2.gz BICRWZANULAYOB-KRWDZBQOSA-N 2 0 332.488 3.320 10 0 EGAERP COC(=O)CCCCC[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000894762719 1309055868 /nfs/dbraw/zinc/05/58/68/1309055868.db2.gz YILZCQBGXJKEMH-ZCNNSNEGSA-N 2 0 344.499 3.363 10 0 EGAERP CC[C@@H](C)[C@@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000895650107 1309448541 /nfs/dbraw/zinc/44/85/41/1309448541.db2.gz ULTPCHMWEGCDFK-UYAOXDASSA-N 2 0 348.531 3.054 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CCCOCC4)C[C@@H]3C2)cc1 ZINC000898521687 1310776078 /nfs/dbraw/zinc/77/60/78/1310776078.db2.gz FWGWHHOWXRTMPP-BQJUDKOJSA-N 2 0 328.500 3.446 10 0 EGAERP Cc1nccn1CCC[N@@H+]1CCC[C@@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858028559 1328665075 /nfs/dbraw/zinc/66/50/75/1328665075.db2.gz KLNRQGICWHKREZ-LJQANCHMSA-N 2 0 340.471 3.397 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858109974 1328684610 /nfs/dbraw/zinc/68/46/10/1328684610.db2.gz FALYMANWTLWYFK-GOEBONIOSA-N 2 0 331.460 3.167 10 0 EGAERP CC[NH+](CC)C[C@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929747484 1328685421 /nfs/dbraw/zinc/68/54/21/1328685421.db2.gz DHNJVLWUEIMNLL-QGZVFWFLSA-N 2 0 340.515 3.465 10 0 EGAERP CC[C@@H]1[C@@H]([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CCN1C(=O)OC(C)(C)C ZINC000858253016 1328723575 /nfs/dbraw/zinc/72/35/75/1328723575.db2.gz AHSILYLOKYFYMF-OWCLPIDISA-N 2 0 339.524 3.237 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](C[C@H]2C[C@@H](C)O[C@@H](C)C2)CC1 ZINC000930146784 1328798464 /nfs/dbraw/zinc/79/84/64/1328798464.db2.gz WUXWKPBEUOIILD-RUYXUALKSA-N 2 0 340.552 3.260 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC(CC)([NH+]2CCCCC2)CC1 ZINC000915135925 1319431260 /nfs/dbraw/zinc/43/12/60/1319431260.db2.gz LZFMFZZPIFPPKX-SFHVURJKSA-N 2 0 335.536 3.118 10 0 EGAERP CC1CC[NH+](CCCC[NH2+]Cc2csc(-c3ccn(C)n3)n2)CC1 ZINC000921536317 1322343325 /nfs/dbraw/zinc/34/33/25/1322343325.db2.gz FGHHYECRIKDJBT-UHFFFAOYSA-N 2 0 347.532 3.145 10 0 EGAERP CSCc1ccc(C[NH2+]C2CC[NH+](C[C@H]3CCOC3)CC2)cc1 ZINC000921753505 1322392949 /nfs/dbraw/zinc/39/29/49/1322392949.db2.gz DEINKIDGWMYXRH-GOSISDBHSA-N 2 0 334.529 3.140 10 0 EGAERP CS[C@@H]1CCC[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000922235066 1322484798 /nfs/dbraw/zinc/48/47/98/1322484798.db2.gz QTXGWELGRPQVKH-FUHWJXTLSA-N 2 0 326.550 3.141 10 0 EGAERP O=c1cc(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cc[nH]1 ZINC000922259233 1322489102 /nfs/dbraw/zinc/48/91/02/1322489102.db2.gz CHPZWWZIBOPEAQ-IBGZPJMESA-N 2 0 337.467 3.179 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCCC3(CCC3)O2)cc1 ZINC000922814551 1322625897 /nfs/dbraw/zinc/62/58/97/1322625897.db2.gz XPBHCJZBFHNESN-IBGZPJMESA-N 2 0 332.488 3.208 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+][C@H](C2CC2)[C@@H]2CCCOC2)cc1 ZINC000922896690 1322644073 /nfs/dbraw/zinc/64/40/73/1322644073.db2.gz JBYHEAWBGBZBIL-TZIWHRDSSA-N 2 0 346.515 3.312 10 0 EGAERP c1cc(C[NH2+]CC[C@H]2OCCc3ccccc32)n(-c2cc[nH+]cc2)n1 ZINC000922957963 1322661250 /nfs/dbraw/zinc/66/12/50/1322661250.db2.gz LVZYUALJIHLGFE-HXUWFJFHSA-N 2 0 334.423 3.061 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]C[C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1(C)C ZINC000922969072 1322665706 /nfs/dbraw/zinc/66/57/06/1322665706.db2.gz VKBQWCRTURARLS-OWCLPIDISA-N 2 0 339.524 3.142 10 0 EGAERP c1ccc2c(c1)cccc2C1CC[NH+](C[C@@H]2CC3(C[NH2+]C3)CO2)CC1 ZINC000923310602 1322730795 /nfs/dbraw/zinc/73/07/95/1322730795.db2.gz LAYDSIMXWILHOI-IBGZPJMESA-N 2 0 336.479 3.398 10 0 EGAERP C[C@H](c1ccc(OC(F)F)cc1)[NH+]1CCC2(CO[C@@H](C[NH3+])C2)CC1 ZINC000923449145 1322753227 /nfs/dbraw/zinc/75/32/27/1322753227.db2.gz KJCKRQFXVQSPNZ-CZUORRHYSA-N 2 0 340.414 3.179 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1csc(-c3ccsc3)n1)CC2 ZINC000923448806 1322753239 /nfs/dbraw/zinc/75/32/39/1322753239.db2.gz HCJWIHWTNQODFW-HNNXBMFYSA-N 2 0 349.525 3.201 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCSc1cccc(Cl)c1)CC2 ZINC000923446860 1322753559 /nfs/dbraw/zinc/75/35/59/1322753559.db2.gz OIGYVIDJYNLJDY-HNNXBMFYSA-N 2 0 340.920 3.262 10 0 EGAERP COc1ccc(C(C)C)cc1C[NH+]1CCC2(CO[C@H](C[NH3+])C2)CC1 ZINC000923452330 1322754385 /nfs/dbraw/zinc/75/43/85/1322754385.db2.gz PYSMEHSLFYPBDW-SFHVURJKSA-N 2 0 332.488 3.148 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1ccc(Cl)c(Cl)c1)CC2 ZINC000923456067 1322754677 /nfs/dbraw/zinc/75/46/77/1322754677.db2.gz OIGYCCDFHCWIHR-CYBMUJFWSA-N 2 0 329.271 3.323 10 0 EGAERP Cc1ccc(-c2noc(CCC[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)n2)cc1F ZINC000923502306 1322763682 /nfs/dbraw/zinc/76/36/82/1322763682.db2.gz YSGQRYUFYXQIPC-HOCLYGCPSA-N 2 0 346.450 3.033 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000924562239 1323056767 /nfs/dbraw/zinc/05/67/67/1323056767.db2.gz BDSQUGTYWJIIJD-QGZVFWFLSA-N 2 0 341.503 3.428 10 0 EGAERP COC1(OC)CC[C@H]1[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000924963586 1323230531 /nfs/dbraw/zinc/23/05/31/1323230531.db2.gz LEVZGENNPOISCD-LJQANCHMSA-N 2 0 332.488 3.160 10 0 EGAERP COc1cc([C@H](C)[NH2+][C@H](C)CN2CC[NH+](C)CC2)cc2ccccc21 ZINC000924994463 1323239665 /nfs/dbraw/zinc/23/96/65/1323239665.db2.gz ULUDOUFAZLCZCM-SJORKVTESA-N 2 0 341.499 3.135 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH+](C)C)CC1)c1csc(C(F)(F)F)c1 ZINC000925214757 1325082823 /nfs/dbraw/zinc/08/28/23/1325082823.db2.gz IRFFTPHENJUFAT-GFCCVEGCSA-N 2 0 349.466 3.444 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480425 1325169047 /nfs/dbraw/zinc/16/90/47/1325169047.db2.gz KINDXLFPZNMANY-BPUTZDHNSA-N 2 0 331.460 3.200 10 0 EGAERP CC1(C)[C@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518305 1325187250 /nfs/dbraw/zinc/18/72/50/1325187250.db2.gz DYHSKTIHGWTOEY-JSXRDJHFSA-N 2 0 341.543 3.265 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2cccc(NC(=O)C3CCC3)c2)C1 ZINC000925527415 1325191482 /nfs/dbraw/zinc/19/14/82/1325191482.db2.gz QPAFOHHTGVNGMZ-WMZOPIPTSA-N 2 0 329.488 3.421 10 0 EGAERP c1csc(C[N@H+]2CCC[C@@H](CN[C@H]3CC[NH2+]C34CCCC4)C2)c1 ZINC000925533607 1325195419 /nfs/dbraw/zinc/19/54/19/1325195419.db2.gz CMCFEIJHFRHTHW-WMZOPIPTSA-N 2 0 333.545 3.224 10 0 EGAERP c1nn(-c2ccccc2)cc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925536086 1325196996 /nfs/dbraw/zinc/19/69/96/1325196996.db2.gz MWUZLJGHLNVWRU-SFTDATJTSA-N 2 0 338.499 3.173 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925533983 1325197010 /nfs/dbraw/zinc/19/70/10/1325197010.db2.gz HUYOEOAJXNPRRU-CABCVRRESA-N 2 0 336.476 3.098 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925561740 1325210162 /nfs/dbraw/zinc/21/01/62/1325210162.db2.gz DNYGTSRCCJFGDT-DQEVTTJGSA-N 2 0 331.479 3.018 10 0 EGAERP O[C@H](c1ccccc1)C1(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925624215 1325235250 /nfs/dbraw/zinc/23/52/50/1325235250.db2.gz WVRZSGVZXDGWLC-SLFFLAALSA-N 2 0 328.500 3.258 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)cc1OC ZINC000925630045 1325238911 /nfs/dbraw/zinc/23/89/11/1325238911.db2.gz PYDLWDZIQQCWCA-USXIJHARSA-N 2 0 334.504 3.378 10 0 EGAERP CCS(=O)(=O)c1ccc([C@H](C)[NH2+][C@@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1 ZINC000925666979 1325256031 /nfs/dbraw/zinc/25/60/31/1325256031.db2.gz WTLVWRQXMMQNTP-CWRNSKLLSA-N 2 0 338.517 3.037 10 0 EGAERP COC(=O)Nc1cccc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)c1 ZINC000925669820 1325256186 /nfs/dbraw/zinc/25/61/86/1325256186.db2.gz FOMGKURRJIEXEU-ZWKOTPCHSA-N 2 0 331.460 3.123 10 0 EGAERP CC1(C)[NH2+]CC[C@H]1NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000925718232 1325268414 /nfs/dbraw/zinc/26/84/14/1325268414.db2.gz YHGBEWXCBNRWOO-RBUKOAKNSA-N 2 0 327.516 3.019 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]Cc1ccnc(-c2ccccn2)n1)c1ccccc1 ZINC000925762087 1325289407 /nfs/dbraw/zinc/28/94/07/1325289407.db2.gz GLOAWBCYWVAZGO-GOSISDBHSA-N 2 0 333.439 3.108 10 0 EGAERP CC[C@@H](CSc1ccc(Cl)cc1)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925808253 1325309890 /nfs/dbraw/zinc/30/98/90/1325309890.db2.gz BXNJZSYGISPSRM-INIZCTEOSA-N 2 0 341.952 3.223 10 0 EGAERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)cc1Cl ZINC000925811775 1325312771 /nfs/dbraw/zinc/31/27/71/1325312771.db2.gz RUNDOALJVMQPMA-MRXNPFEDSA-N 2 0 330.303 3.457 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)oc1C ZINC000925818989 1325315775 /nfs/dbraw/zinc/31/57/75/1325315775.db2.gz WUJYEVYBNDUDOB-MRXNPFEDSA-N 2 0 327.472 3.152 10 0 EGAERP c1ccc(N2CCC([NH2+]CCCCCC3CC[NH2+]CC3)CC2)nc1 ZINC000925818356 1325316570 /nfs/dbraw/zinc/31/65/70/1325316570.db2.gz VFFBANCLYZFRRI-UHFFFAOYSA-N 2 0 330.520 3.200 10 0 EGAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(Cl)c1 ZINC000925844139 1325325769 /nfs/dbraw/zinc/32/57/69/1325325769.db2.gz WGJJSIBDUBXKBI-POZUXBRTSA-N 2 0 349.906 3.487 10 0 EGAERP CC[C@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1ccc2c(c1)CCCO2 ZINC000925846275 1325327149 /nfs/dbraw/zinc/32/71/49/1325327149.db2.gz VCIRMSXAMGAGAC-FQEVSTJZSA-N 2 0 345.531 3.128 10 0 EGAERP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859633 1325334379 /nfs/dbraw/zinc/33/43/79/1325334379.db2.gz XHHYGGXQOVCJGI-FUHWJXTLSA-N 2 0 344.499 3.018 10 0 EGAERP C[C@@H](c1ccccc1)N1CC[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)C1 ZINC000925887531 1325343975 /nfs/dbraw/zinc/34/39/75/1325343975.db2.gz GHSRNGMCISAYKE-FDTGPBLFSA-N 2 0 349.522 3.471 10 0 EGAERP C[C@H]1C[C@H]([NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)CN1Cc1ccccc1 ZINC000925887743 1325344725 /nfs/dbraw/zinc/34/47/25/1325344725.db2.gz LRUOJAHTTJDRNS-FDTGPBLFSA-N 2 0 349.522 3.298 10 0 EGAERP COC(=O)N1CCC[C@H]([C@H](C)[NH2+][C@@H](C)c2cccc(C[NH+](C)C)c2)C1 ZINC000926209120 1325471831 /nfs/dbraw/zinc/47/18/31/1325471831.db2.gz COSZIIITHXEUOG-BXWFABGCSA-N 2 0 347.503 3.266 10 0 EGAERP OC[C@H]([NH2+]C1C[C@H]2CCC[C@@H](C1)[N@H+]2Cc1ccccc1)C1CCC1 ZINC000926681020 1327664833 /nfs/dbraw/zinc/66/48/33/1327664833.db2.gz UOUVEFYVXRXSBL-VTHDOGFWSA-N 2 0 328.500 3.323 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C(C)(C)CO ZINC000926727583 1327686880 /nfs/dbraw/zinc/68/68/80/1327686880.db2.gz VJUJWYLVEBDXOH-IEBWSBKVSA-N 2 0 330.516 3.285 10 0 EGAERP C[C@@H]([NH2+]C[C@H](O)Cc1ccccc1F)c1cccc(C[NH+](C)C)c1 ZINC000926867756 1327747193 /nfs/dbraw/zinc/74/71/93/1327747193.db2.gz MENDWAMGCCMWPT-DNVCBOLYSA-N 2 0 330.447 3.142 10 0 EGAERP CC(C)CC[NH+]1CCC([NH2+]C[C@@H]2CC[C@]3(CO[C@@H](C)[C@H]3C)O2)CC1 ZINC000926879772 1327753938 /nfs/dbraw/zinc/75/39/38/1327753938.db2.gz WJCIZERZITXLEL-LCLWPZTBSA-N 2 0 338.536 3.059 10 0 EGAERP C[C@H]([NH2+]Cc1cc(C(F)(F)F)nn1C)c1cccc(C[NH+](C)C)c1 ZINC000926929111 1327781851 /nfs/dbraw/zinc/78/18/51/1327781851.db2.gz RMIMHYPTCJOALN-LBPRGKRZSA-N 2 0 340.393 3.351 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCC2(CCOCC2)O1)c1cccc(C[NH+](C)C)c1 ZINC000927016183 1327821004 /nfs/dbraw/zinc/82/10/04/1327821004.db2.gz JNEZVLOHJQRSDM-APWZRJJASA-N 2 0 332.488 3.127 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H]2CCc3cccc4cccc2c43)CC1 ZINC000866233844 1330082018 /nfs/dbraw/zinc/08/20/18/1330082018.db2.gz ZBQZTXDJUFBTRJ-DYESRHJHSA-N 2 0 337.511 3.443 10 0 EGAERP CCOC(=O)C(F)(F)[C@@H]1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)C1 ZINC000866515831 1330120730 /nfs/dbraw/zinc/12/07/30/1330120730.db2.gz JQMJCZIAHNXBDK-GJEMEMOUSA-N 2 0 346.462 3.206 10 0 EGAERP Brc1cccnc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]C2)C1 ZINC000866666247 1330139643 /nfs/dbraw/zinc/13/96/43/1330139643.db2.gz OONFMPKFUITKKI-ZIAGYGMSSA-N 2 0 338.293 3.056 10 0 EGAERP CC(C)(C)[C@@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2cccc(Cl)c2)C1 ZINC000866702969 1330142522 /nfs/dbraw/zinc/14/25/22/1330142522.db2.gz FRTZDMLKNPDFBJ-GOSISDBHSA-N 2 0 337.895 3.366 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001323111633 1387293327 /nfs/dbraw/zinc/29/33/27/1387293327.db2.gz CPTPXFDDHYGHIE-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[NH+](C)C)CC[C@@H]1[NH2+]CCCC1CCCC1 ZINC001323162584 1387304704 /nfs/dbraw/zinc/30/47/04/1387304704.db2.gz RFNFUFJRLCMHPU-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001323641815 1387415839 /nfs/dbraw/zinc/41/58/39/1387415839.db2.gz KMLDJJHFZGVVOV-VQTJNVASSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001323814128 1387466234 /nfs/dbraw/zinc/46/62/34/1387466234.db2.gz XHNRKDLXWABJEO-TZIWHRDSSA-N 2 0 349.563 3.366 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@]2(CC[NH+](CC3CC(C)(C)C3)C2)C1 ZINC001323874242 1387486397 /nfs/dbraw/zinc/48/63/97/1387486397.db2.gz SHEITZOSEMQTFQ-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001324085602 1387535483 /nfs/dbraw/zinc/53/54/83/1387535483.db2.gz DHOTYUSZBRGOSV-MJGOQNOKSA-N 2 0 335.536 3.042 10 0 EGAERP O=C(N1CCC[C@@H]1C[NH2+]CCC1CCCCC1)C12CCC[NH+]1CCC2 ZINC001324186968 1387553236 /nfs/dbraw/zinc/55/32/36/1387553236.db2.gz NKXGDYCRTFZIKI-LJQANCHMSA-N 2 0 347.547 3.166 10 0 EGAERP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCCC[NH+]1CCCC1)C2 ZINC001324556621 1387672697 /nfs/dbraw/zinc/67/26/97/1387672697.db2.gz JNDZPWFEPCRMLN-NRFANRHFSA-N 2 0 349.563 3.366 10 0 EGAERP CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001324727088 1387753172 /nfs/dbraw/zinc/75/31/72/1387753172.db2.gz FGKJCFZUNUGLIR-UYAOXDASSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001324772415 1387766077 /nfs/dbraw/zinc/76/60/77/1387766077.db2.gz SEXSDOAHAMRTLK-QQUYBBDPSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958762 1387852342 /nfs/dbraw/zinc/85/23/42/1387852342.db2.gz WJCLATJUVWIJPB-UZLBHIALSA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1CC(C)(C)C1)[NH+](C)C ZINC001325630919 1388017597 /nfs/dbraw/zinc/01/75/97/1388017597.db2.gz YMMCWMXLHYAVHS-QXCFHYIPSA-N 2 0 349.563 3.122 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001325665206 1388024995 /nfs/dbraw/zinc/02/49/95/1388024995.db2.gz JRGKYLBRWLSDQW-UAFMIMERSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CCCC(C)C ZINC001325916952 1388080108 /nfs/dbraw/zinc/08/01/08/1388080108.db2.gz KGSRHYXVLZDJQM-SLFFLAALSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1N1CC[NH+](C)CC1)c1cc(O)cc(F)c1 ZINC001119623458 1371377712 /nfs/dbraw/zinc/37/77/12/1371377712.db2.gz IHOUNKCGIIGDBV-HNNXBMFYSA-N 2 0 343.446 3.134 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCc2coc(-c3ccccc3)n2)[C@@H]2CCC[NH2+][C@@H]21 ZINC001119630158 1371379547 /nfs/dbraw/zinc/37/95/47/1371379547.db2.gz DAJBPBZFAMZSFI-SQNIBIBYSA-N 2 0 325.456 3.250 10 0 EGAERP C[C@@H]([NH2+]CCOC1CCSCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC001119812551 1371407238 /nfs/dbraw/zinc/40/72/38/1371407238.db2.gz QFQDMIAELWEJFS-CVEARBPZSA-N 2 0 326.550 3.141 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](CC[NH2+]CC3CCCC3)C2)C1 ZINC001326337472 1388158829 /nfs/dbraw/zinc/15/88/29/1388158829.db2.gz GBFRTSLVVMRTBL-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC001326372401 1388169848 /nfs/dbraw/zinc/16/98/48/1388169848.db2.gz YFVLCFUKXXVLHO-ATZDWAIDSA-N 2 0 329.488 3.375 10 0 EGAERP CC[NH+](CC)CC[C@H](C)NC(=O)c1oc2ccccc2c1C[NH+](C)C ZINC001124047874 1372665264 /nfs/dbraw/zinc/66/52/64/1372665264.db2.gz POLANFULOVPMAK-HNNXBMFYSA-N 2 0 345.487 3.345 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001326508256 1388224136 /nfs/dbraw/zinc/22/41/36/1388224136.db2.gz QPLLUVMTWOAVDN-VAMGGRTRSA-N 2 0 347.547 3.236 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCC1 ZINC001326845881 1388328720 /nfs/dbraw/zinc/32/87/20/1388328720.db2.gz MWQUPAFUSQHJSF-PLNGDYQASA-N 2 0 340.471 3.241 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CCC1 ZINC001326927552 1388352357 /nfs/dbraw/zinc/35/23/57/1388352357.db2.gz DNXXNZMTSWNVHG-GOSISDBHSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001327164247 1388416510 /nfs/dbraw/zinc/41/65/10/1388416510.db2.gz SOXLYVMVNNUCBA-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001327272024 1388475819 /nfs/dbraw/zinc/47/58/19/1388475819.db2.gz VAPYQKJUPGSETQ-MSOLQXFVSA-N 2 0 325.541 3.077 10 0 EGAERP C[NH+](C)C1(CNC(=O)c2ccc(C[NH+]3CCCC3)o2)CCCCCC1 ZINC001135606471 1377160800 /nfs/dbraw/zinc/16/08/00/1377160800.db2.gz UYPGOYXYQJOYQB-UHFFFAOYSA-N 2 0 347.503 3.260 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@@H]([C@H](C)NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001265707988 1377163212 /nfs/dbraw/zinc/16/32/12/1377163212.db2.gz IEFNDHQLXVKDAJ-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCCC[C@@H]2CCC[NH+]2CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001266216524 1377231794 /nfs/dbraw/zinc/23/17/94/1377231794.db2.gz RSSTYLVYFJNRTA-BHIYHBOVSA-N 2 0 349.563 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1CCC[NH+](CC2CCCCCC2)C1 ZINC001266221867 1377233389 /nfs/dbraw/zinc/23/33/89/1377233389.db2.gz JTMXIYUYMKFOOO-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266232926 1377239177 /nfs/dbraw/zinc/23/91/77/1377239177.db2.gz DEDUHUJMXKLWGR-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](C(=O)NCCC[C@H]1CCC[N@@H+]1CCC1CC1)[NH+]1CCCCCC1 ZINC001266238108 1377241879 /nfs/dbraw/zinc/24/18/79/1377241879.db2.gz KHTGNZWACBJZKN-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001266467956 1377314065 /nfs/dbraw/zinc/31/40/65/1377314065.db2.gz HARLNXMVDUCXRS-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC1(C(=O)N2C[C@H]3CC[C@@H](C2)[N@H+]3C2CCN(CC)CC2)CC1 ZINC001327299551 1388490876 /nfs/dbraw/zinc/49/08/76/1388490876.db2.gz OFWOZHUSSGJISA-KDURUIRLSA-N 2 0 347.547 3.116 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1C[C@H]([NH2+]Cc2ccc(C3CCC3)cc2)C1 ZINC001266614670 1377344684 /nfs/dbraw/zinc/34/46/84/1377344684.db2.gz NGGOVXYXXIIHIV-MXVIHJGJSA-N 2 0 343.515 3.033 10 0 EGAERP CCCCCC[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001267912183 1377477027 /nfs/dbraw/zinc/47/70/27/1377477027.db2.gz GCGAMZLJCTYBPQ-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001267912628 1377477038 /nfs/dbraw/zinc/47/70/38/1377477038.db2.gz VYUBHDBIYOVPSF-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)N[C@H]1CCC[N@H+](CCCC(C)(C)C)C1 ZINC001268194793 1377491416 /nfs/dbraw/zinc/49/14/16/1377491416.db2.gz XNZUUOJLWWEDIG-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CCC2CCCCC2)C1 ZINC001268271717 1377504933 /nfs/dbraw/zinc/50/49/33/1377504933.db2.gz SRCBAISGBWKSKT-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001269178053 1377541624 /nfs/dbraw/zinc/54/16/24/1377541624.db2.gz XLOARSGYBBQLBW-ZYHOBAKYSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]2CCC[C@@H](C1)[NH+]2CCC1=CCCCC1 ZINC001269681581 1377563704 /nfs/dbraw/zinc/56/37/04/1377563704.db2.gz OWKYTSRBOIPIPR-BGYRXZFFSA-N 2 0 347.547 3.284 10 0 EGAERP CC[C@@H](F)C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001271575909 1377639606 /nfs/dbraw/zinc/63/96/06/1377639606.db2.gz KBYQCSXGKDESCH-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCC(C)(C)CC1)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001272782808 1378081284 /nfs/dbraw/zinc/08/12/84/1378081284.db2.gz PEQAXWSVNBAKNU-QFBILLFUSA-N 2 0 349.563 3.029 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC2([NH2+]C[C@H](C)CC(C)C)CCC2)CC[N@@H+]1C ZINC001273084616 1378086999 /nfs/dbraw/zinc/08/69/99/1378086999.db2.gz VIJXTNFMOZLMOK-FGTMMUONSA-N 2 0 337.552 3.027 10 0 EGAERP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001327479134 1388530867 /nfs/dbraw/zinc/53/08/67/1388530867.db2.gz PNCWPJXGHLRSFP-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001277053888 1378203484 /nfs/dbraw/zinc/20/34/84/1378203484.db2.gz XZYPGICGQIFSQQ-FHWLQOOXSA-N 2 0 337.552 3.172 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001278432163 1378270442 /nfs/dbraw/zinc/27/04/42/1378270442.db2.gz BRFFWDRLEQAKHM-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)N(CC[N@H+](C)Cc1ccccc1)C(=O)CC[C@H]1CCC[NH+]1C ZINC001278911547 1378290097 /nfs/dbraw/zinc/29/00/97/1378290097.db2.gz CNAXYGVGGTZAQY-HXUWFJFHSA-N 2 0 345.531 3.230 10 0 EGAERP CC(C)[C@@H](C(=O)NCC1=CC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001279583044 1378314407 /nfs/dbraw/zinc/31/44/07/1378314407.db2.gz VJFDELXPUIKPQD-FQEVSTJZSA-N 2 0 349.563 3.291 10 0 EGAERP CCN(C(=O)CC[NH2+]C(C)(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC001142068336 1378410294 /nfs/dbraw/zinc/41/02/94/1378410294.db2.gz FPBQENIHTJYLMD-HKUYNNGSSA-N 2 0 345.531 3.449 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@]2(CC[N@H+](CCCC(C)C)C2)C1)[NH+](C)C ZINC001327532443 1388553317 /nfs/dbraw/zinc/55/33/17/1388553317.db2.gz YHXNFVPCANQBMM-QUCCMNQESA-N 2 0 337.552 3.077 10 0 EGAERP CCC(CC)C[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001282678163 1378550042 /nfs/dbraw/zinc/55/00/42/1378550042.db2.gz ONOSBOFDHWTQRA-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001282682228 1378555645 /nfs/dbraw/zinc/55/56/45/1378555645.db2.gz ODBDBYHHJQOWOK-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(C)c2)CC1(C)C ZINC001282833423 1378634857 /nfs/dbraw/zinc/63/48/57/1378634857.db2.gz OCBGRTQAURCVKZ-PKOBYXMFSA-N 2 0 345.531 3.224 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@H]2C1 ZINC001282947463 1378680663 /nfs/dbraw/zinc/68/06/63/1378680663.db2.gz LBHFNNORSHZQGR-FHWLQOOXSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1 ZINC001283063217 1378720150 /nfs/dbraw/zinc/72/01/50/1378720150.db2.gz VNCPVCCUWGQXOG-IYARVYRRSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1CC[NH+](C)CC1)c1cccc(F)c1 ZINC001283233286 1378767963 /nfs/dbraw/zinc/76/79/63/1378767963.db2.gz RUXQHGOFBGADLO-JKSUJKDBSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)[C@@H]3CCC[NH+]3C)cc2C1 ZINC001327682389 1388578687 /nfs/dbraw/zinc/57/86/87/1388578687.db2.gz JACQDZIWGAGALN-FQEVSTJZSA-N 2 0 343.515 3.149 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCC(C)(C)C)CN1C(=O)CCC[NH+]1CCCC1 ZINC001284035021 1379384973 /nfs/dbraw/zinc/38/49/73/1379384973.db2.gz YOCRBXYOBPUOFK-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001284133460 1379519305 /nfs/dbraw/zinc/51/93/05/1379519305.db2.gz XODMSTDCIPSHJA-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccc(F)cc1 ZINC001284312281 1379702400 /nfs/dbraw/zinc/70/24/00/1379702400.db2.gz GMTMLZPUYKEFGB-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C)([NH2+]CCC2CCCCCC2)CC1 ZINC001327971056 1388636787 /nfs/dbraw/zinc/63/67/87/1388636787.db2.gz WVCURXQUVZXCJM-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@H](C(=O)N(CC[N@H+](C)CC1CCC(C)CC1)C(C)C)[NH+](C)C ZINC001284553591 1379961980 /nfs/dbraw/zinc/96/19/80/1379961980.db2.gz PXTCJRLETLLNGC-CTWPCTMYSA-N 2 0 339.568 3.322 10 0 EGAERP CC(C)N(CCN(C)[C@@H](C)c1ccccc1F)C(=O)C[NH+]1CCCC1 ZINC001284558123 1379967507 /nfs/dbraw/zinc/96/75/07/1379967507.db2.gz IXIGUIKWGKYANS-KRWDZBQOSA-N 2 0 349.494 3.151 10 0 EGAERP CC[NH+](CC)C[C@@H](F)C(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001327991065 1388639676 /nfs/dbraw/zinc/63/96/76/1388639676.db2.gz RJANBQSYZPQRHT-MRXNPFEDSA-N 2 0 343.531 3.073 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H](NC(=O)C23CC[NH+](CC2)C3)C(C)(C)C)CC1 ZINC001284642866 1380050132 /nfs/dbraw/zinc/05/01/32/1380050132.db2.gz QFZIZNDYPYCTOS-DAWZGUTISA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)C[NH+]1CCC([C@@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001284702199 1380117294 /nfs/dbraw/zinc/11/72/94/1380117294.db2.gz KVOQMVIUTWCDGQ-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001284713239 1380130104 /nfs/dbraw/zinc/13/01/04/1380130104.db2.gz VEQWBKYHWWCDAI-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CC1 ZINC001328029899 1388649535 /nfs/dbraw/zinc/64/95/35/1388649535.db2.gz WNGNORTUKREAGX-SFHVURJKSA-N 2 0 337.552 3.410 10 0 EGAERP CCCCC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001284770908 1380196424 /nfs/dbraw/zinc/19/64/24/1380196424.db2.gz LTWIRWNEGGTWLR-KVZIAJEVSA-N 2 0 335.536 3.163 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c1 ZINC001328342719 1388725976 /nfs/dbraw/zinc/72/59/76/1388725976.db2.gz JUWFVKVOHGOKGF-FXAWDEMLSA-N 2 0 345.531 3.106 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)[NH+]1CCCCC1 ZINC001328458676 1388750481 /nfs/dbraw/zinc/75/04/81/1388750481.db2.gz ILONKGYQNDBQQD-ROUUACIJSA-N 2 0 339.568 3.418 10 0 EGAERP CCc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001328458706 1388750545 /nfs/dbraw/zinc/75/05/45/1388750545.db2.gz JYJJCOJHCQKJQV-PXNSSMCTSA-N 2 0 345.531 3.108 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001328459133 1388750567 /nfs/dbraw/zinc/75/05/67/1388750567.db2.gz MRDWJSPWNROLAY-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP C[NH+](C)CCCN(CCC[NH+](C)C)C(=O)C=C1CCC(C)(C)CC1 ZINC001292949238 1382236352 /nfs/dbraw/zinc/23/63/52/1382236352.db2.gz LUZKSDXVBZHFGY-UHFFFAOYSA-N 2 0 337.552 3.245 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001328671882 1388802467 /nfs/dbraw/zinc/80/24/67/1388802467.db2.gz FGGZNELZLTWXFS-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC([NH+](CC)CC)CC1 ZINC001328695069 1388811927 /nfs/dbraw/zinc/81/19/27/1388811927.db2.gz RWXWBDRNHAFWFA-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001316598695 1384464804 /nfs/dbraw/zinc/46/48/04/1384464804.db2.gz GNHVMLFOHIZVGO-GOSISDBHSA-N 2 0 337.552 3.362 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316610913 1384481057 /nfs/dbraw/zinc/48/10/57/1384481057.db2.gz MMMVJHWAZCIANY-ROUKRRSUSA-N 2 0 343.515 3.251 10 0 EGAERP CC(C)[C@@H](C(=O)N1CCCCC[C@H]([NH2+]CCCCCF)C1)[NH+](C)C ZINC001316773031 1384571397 /nfs/dbraw/zinc/57/13/97/1384571397.db2.gz RTSNAGOMQWIOSN-ROUUACIJSA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCCCC[C@H]([NH2+]CCC(C)(C)C)C2)CCC1 ZINC001316773986 1384572428 /nfs/dbraw/zinc/57/24/28/1384572428.db2.gz RWAIHOLXZMQWFW-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc([C@H](C)[NH+](C)CCCNC(=O)[C@@H]2CCC[N@H+]2C(C)C)c1 ZINC001316825846 1384619640 /nfs/dbraw/zinc/61/96/40/1384619640.db2.gz VYGYTVXMZMMATP-ICSRJNTNSA-N 2 0 345.531 3.367 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)CCCNC(=O)C1([NH+](C)C)CCC1 ZINC001316830989 1384624453 /nfs/dbraw/zinc/62/44/53/1384624453.db2.gz VQPBHGSAHYNLLF-GOSISDBHSA-N 2 0 349.494 3.199 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NCCC[NH+](C)CC2CCCCC2)C1 ZINC001316843363 1384632581 /nfs/dbraw/zinc/63/25/81/1384632581.db2.gz CHPFVJPAMORKDT-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001316877694 1384662085 /nfs/dbraw/zinc/66/20/85/1384662085.db2.gz FYMVUDRUMOELAE-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccc(F)cc1 ZINC001316891102 1384672847 /nfs/dbraw/zinc/67/28/47/1384672847.db2.gz UWIIZFNHQNOPAV-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H](C)c1ccccc1 ZINC001316898528 1384678595 /nfs/dbraw/zinc/67/85/95/1384678595.db2.gz CVPJYTUECRDRIO-NSHGMRRFSA-N 2 0 345.531 3.306 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CC[N@H+](Cc2ccc(C)c(C)c2)C1)[NH+](CC)CC ZINC001316987763 1384744263 /nfs/dbraw/zinc/74/42/63/1384744263.db2.gz VKJIYFXWMROQSC-UXHICEINSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317183045 1384958407 /nfs/dbraw/zinc/95/84/07/1384958407.db2.gz MDIOKYATQGOLIG-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCCN1C(=O)c1sccc1C[NH+](C)C ZINC001317185797 1384960584 /nfs/dbraw/zinc/96/05/84/1384960584.db2.gz BYGGEMXUGIGPNG-QGZVFWFLSA-N 2 0 349.544 3.360 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001317187014 1384961772 /nfs/dbraw/zinc/96/17/72/1384961772.db2.gz CKEOHQSEVQGWJT-ZRHASKPBSA-N 2 0 347.547 3.189 10 0 EGAERP Cc1c(C(=O)N2CCCC[C@@H]2C[NH2+]CCC(C)C)ccc2c[nH+]cn21 ZINC001317188057 1384962318 /nfs/dbraw/zinc/96/23/18/1384962318.db2.gz HEZOMLCVMUHSQU-QGZVFWFLSA-N 2 0 342.487 3.273 10 0 EGAERP C[NH+](C)CCc1ccc(C(=O)N2CC[C@H]([NH2+]CCC(C)(C)C)C2)cc1 ZINC001317305781 1385072500 /nfs/dbraw/zinc/07/25/00/1385072500.db2.gz MGTLEQGVSBGCDG-IBGZPJMESA-N 2 0 345.531 3.031 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001317384160 1385108932 /nfs/dbraw/zinc/10/89/32/1385108932.db2.gz LLMJRDKQPPJYHR-MOPGFXCFSA-N 2 0 337.552 3.364 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCC1 ZINC001317394869 1385112634 /nfs/dbraw/zinc/11/26/34/1385112634.db2.gz CCVFMJWUYIHEIQ-LPHOPBHVSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCC1 ZINC001317394870 1385112680 /nfs/dbraw/zinc/11/26/80/1385112680.db2.gz CCVFMJWUYIHEIQ-QFBILLFUSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001317396533 1385113094 /nfs/dbraw/zinc/11/30/94/1385113094.db2.gz PFVXTTCAFWPAEZ-LPHOPBHVSA-N 2 0 349.563 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001317414535 1385124941 /nfs/dbraw/zinc/12/49/41/1385124941.db2.gz ALBYKEYPWLNVRJ-IEYVCLCVSA-N 2 0 343.515 3.059 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001317415906 1385126112 /nfs/dbraw/zinc/12/61/12/1385126112.db2.gz PGZCNSQURXLBHQ-MSOLQXFVSA-N 2 0 333.520 3.189 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)Cc1ccsc1 ZINC001317480211 1385175816 /nfs/dbraw/zinc/17/58/16/1385175816.db2.gz SIXDAVWLWFYABU-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)CCC1=CCCCC1 ZINC001317489529 1385188559 /nfs/dbraw/zinc/18/85/59/1385188559.db2.gz JSNOGRPARDTDSX-UXHICEINSA-N 2 0 347.547 3.332 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001317508621 1385217861 /nfs/dbraw/zinc/21/78/61/1385217861.db2.gz DMEAZNZGRBKXSJ-OALUTQOASA-N 2 0 337.552 3.410 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001317524757 1385244869 /nfs/dbraw/zinc/24/48/69/1385244869.db2.gz BOWRXGXBONHHTP-MJRGOJFPSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CCCC2)C1 ZINC001317792021 1385484657 /nfs/dbraw/zinc/48/46/57/1385484657.db2.gz GROISSAPQNROIU-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CCC2CCCC2)C1 ZINC001317811991 1385511623 /nfs/dbraw/zinc/51/16/23/1385511623.db2.gz TYVFBXSEFUVPGV-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCC1 ZINC001317811974 1385511779 /nfs/dbraw/zinc/51/17/79/1385511779.db2.gz SWAPZWRADJVNJN-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001317837702 1385523352 /nfs/dbraw/zinc/52/33/52/1385523352.db2.gz UOBHLFTXNCDRGT-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP O[C@@H](CC1CCCC1)C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1 ZINC001176261883 1385530738 /nfs/dbraw/zinc/53/07/38/1385530738.db2.gz FSDCTNPMLNAVAV-FSSWDIPSSA-N 2 0 342.527 3.382 10 0 EGAERP CCc1ccccc1C[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001318445219 1385696199 /nfs/dbraw/zinc/69/61/99/1385696199.db2.gz KKHXQYWOFUYTDD-FQEVSTJZSA-N 2 0 345.531 3.014 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCC[NH+]2CCC)C1 ZINC001318406536 1385676656 /nfs/dbraw/zinc/67/66/56/1385676656.db2.gz IKDOETTWXXTVOQ-XSAZBNQGSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1c(C)ccc2ccccc21 ZINC001698613432 1406243945 /nfs/dbraw/zinc/24/39/45/1406243945.db2.gz HDVUTMLVGMMIIS-GOSISDBHSA-N 2 0 341.499 3.084 10 0 EGAERP O=C(N1CCC[C@H](CC[NH2+]CC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001318802706 1385857263 /nfs/dbraw/zinc/85/72/63/1385857263.db2.gz BZWOFBMKTJCROH-LJQANCHMSA-N 2 0 347.547 3.023 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)N2CCC(CC[NH2+]CC3CCC3)CC2)C1 ZINC001318928630 1385884742 /nfs/dbraw/zinc/88/47/42/1385884742.db2.gz KLMNKISMDDUHLC-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001319008749 1385922406 /nfs/dbraw/zinc/92/24/06/1385922406.db2.gz KIRLWWOMKBNDGW-XLIONFOSSA-N 2 0 345.531 3.313 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC1CC[NH+](CC=C(C)C)CC1 ZINC001319044459 1385944650 /nfs/dbraw/zinc/94/46/50/1385944650.db2.gz QCQFPAONAPXZCL-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001698631874 1406275682 /nfs/dbraw/zinc/27/56/82/1406275682.db2.gz UWFRPZRLJYQQMC-UHFFFAOYSA-N 2 0 328.460 3.075 10 0 EGAERP CC1CCC(C[NH2+]CC2(NC(=O)C3CC[NH+](C)CC3)CCCC2)CC1 ZINC001698633004 1406276775 /nfs/dbraw/zinc/27/67/75/1406276775.db2.gz BLDCZXXBXHIGIH-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001319592303 1386194063 /nfs/dbraw/zinc/19/40/63/1386194063.db2.gz IPJVPIHKSKHWAK-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319618947 1386212457 /nfs/dbraw/zinc/21/24/57/1386212457.db2.gz HOKOFJHCRYQOAV-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)NC1(C[NH2+]CCC2CCCCC2)CCCC1)[NH+](C)C ZINC001698635977 1406280892 /nfs/dbraw/zinc/28/08/92/1406280892.db2.gz UTDOZHMOCYNGFO-GOSISDBHSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001319788446 1386296300 /nfs/dbraw/zinc/29/63/00/1386296300.db2.gz NSFDWRKDHQZLAS-IEBWSBKVSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001319794530 1386300119 /nfs/dbraw/zinc/30/01/19/1386300119.db2.gz YNXUTKZYAIZVAU-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001319881876 1386357901 /nfs/dbraw/zinc/35/79/01/1386357901.db2.gz VAWMXIUGVZSMCS-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001320069222 1386489632 /nfs/dbraw/zinc/48/96/32/1386489632.db2.gz TUPYZTDFPVRXPB-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)CC[C@H]21 ZINC001320111845 1386520598 /nfs/dbraw/zinc/52/05/98/1386520598.db2.gz BGJMOCZBEGWKOS-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001698675460 1406323666 /nfs/dbraw/zinc/32/36/66/1406323666.db2.gz WUSXIFJHXYGMBP-VQTJNVASSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CCC(C)C)C1 ZINC001698672915 1406321967 /nfs/dbraw/zinc/32/19/67/1406321967.db2.gz MSRXOZQPSNEMLF-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001321522624 1386922063 /nfs/dbraw/zinc/92/20/63/1386922063.db2.gz PNTIIKFNVGAEQN-AEFFLSMTSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CC1CCCCC1 ZINC001322193155 1387095762 /nfs/dbraw/zinc/09/57/62/1387095762.db2.gz JOJVHIUIJLEIIQ-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)Cc2ccccc2C)C1 ZINC001322231605 1387112763 /nfs/dbraw/zinc/11/27/63/1387112763.db2.gz SZSFWIGAJPIMPK-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@@H](C)C2)cc1 ZINC001322244475 1387118554 /nfs/dbraw/zinc/11/85/54/1387118554.db2.gz NKVVSUBBSNDJEI-QZTJIDSGSA-N 2 0 345.531 3.088 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)Nc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC001182241573 1387130449 /nfs/dbraw/zinc/13/04/49/1387130449.db2.gz NPEUDKDRIVWTPE-PKOBYXMFSA-N 2 0 329.488 3.341 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001322269556 1387130678 /nfs/dbraw/zinc/13/06/78/1387130678.db2.gz OSKYJMUCXAGHCB-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)C1CC[NH+](CC2CC2)CC1 ZINC001322273113 1387133058 /nfs/dbraw/zinc/13/30/58/1387133058.db2.gz CWQILXKFIZQHCK-KRWDZBQOSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H](C(=O)N1CCC(CC[NH2+]CC2CCC2)CC1)[NH+]1CCCCCC1 ZINC001698700237 1406342887 /nfs/dbraw/zinc/34/28/87/1406342887.db2.gz RHQHVKJPISLJQV-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CC2=CCCCC2)CCC1 ZINC001322341704 1387163695 /nfs/dbraw/zinc/16/36/95/1387163695.db2.gz YYXPBFTXJRJRGI-RTBURBONSA-N 2 0 347.547 3.236 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC(C)(C)C1 ZINC001322359439 1387169561 /nfs/dbraw/zinc/16/95/61/1387169561.db2.gz JUTWIPRJFBXVPV-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+]CCCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001322694684 1387226605 /nfs/dbraw/zinc/22/66/05/1387226605.db2.gz SGULLWBAQFHLTC-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP CN(CCC[NH2+]CC1CCCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001322732337 1387231941 /nfs/dbraw/zinc/23/19/41/1387231941.db2.gz ZXLBLXCYVCMFIQ-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C1CCC([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001329255477 1389036469 /nfs/dbraw/zinc/03/64/69/1389036469.db2.gz CRAJCDYSFSFRCN-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001329341718 1389067783 /nfs/dbraw/zinc/06/77/83/1389067783.db2.gz FYOMKWGWPAGLQP-GOSISDBHSA-N 2 0 337.552 3.291 10 0 EGAERP CCCCC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001329517991 1389139853 /nfs/dbraw/zinc/13/98/53/1389139853.db2.gz VKLFOPRLNKVGHO-IEBWSBKVSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1CCCCC1 ZINC001329761863 1389220939 /nfs/dbraw/zinc/22/09/39/1389220939.db2.gz PZJQIEFUXGDZQH-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1(C[NH2+]Cc2ccccc2)CCCCC1 ZINC001329838398 1389234645 /nfs/dbraw/zinc/23/46/45/1389234645.db2.gz QKCBDRRMMXADDY-IBGZPJMESA-N 2 0 343.515 3.080 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC1(C[NH2+]C/C=C\Cl)CCCCC1 ZINC001329860641 1389238449 /nfs/dbraw/zinc/23/84/49/1389238449.db2.gz KDOYSKZMOHPRLZ-ODYNWVGCSA-N 2 0 341.927 3.020 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CC(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001329888482 1389246997 /nfs/dbraw/zinc/24/69/97/1389246997.db2.gz WKYWPPJVVMVECF-ACBHZAAOSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCCCC[N@@H+]2Cc2ccsc2)CCC1 ZINC001329924991 1389262168 /nfs/dbraw/zinc/26/21/68/1389262168.db2.gz ZDZUCBYWUGDWFE-KRWDZBQOSA-N 2 0 349.544 3.093 10 0 EGAERP CCCC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001329937260 1389266117 /nfs/dbraw/zinc/26/61/17/1389266117.db2.gz NQEYWBVRQZMPIB-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC1CC[NH+]([C@@H](C)c2ccccc2)CC1 ZINC001698727215 1406377915 /nfs/dbraw/zinc/37/79/15/1406377915.db2.gz XGBNEZHTNZXIMO-SFHVURJKSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH2+]CCC2CCCCCC2)C1 ZINC001698731991 1406381095 /nfs/dbraw/zinc/38/10/95/1406381095.db2.gz ABSNRSJCSMYYOG-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001330839941 1389542358 /nfs/dbraw/zinc/54/23/58/1389542358.db2.gz BASPKDQSGHMBOO-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001331028857 1389601667 /nfs/dbraw/zinc/60/16/67/1389601667.db2.gz BIECZUMOWQTYFT-WOJBJXKFSA-N 2 0 349.563 3.362 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H](C[NH2+]CC1CCC2(CC2)CC1)C1CC1)[NH+](C)C ZINC001331344824 1389710985 /nfs/dbraw/zinc/71/09/85/1389710985.db2.gz CTYFMZDZSMUVPJ-RTBURBONSA-N 2 0 349.563 3.124 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@@H]2C)cc1 ZINC001331944307 1389921270 /nfs/dbraw/zinc/92/12/70/1389921270.db2.gz ONKGJHUQYOQAIA-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CCC1CCCCCC1 ZINC001332202356 1390038696 /nfs/dbraw/zinc/03/86/96/1390038696.db2.gz YHXAGWPNWSARTQ-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC1=CCCCC1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332706232 1390160881 /nfs/dbraw/zinc/16/08/81/1390160881.db2.gz APSAMHPGZVOJKB-UYAOXDASSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C[NH2+]CCC1CCCC1)C(C)(C)C)[NH+](C)C ZINC001332882093 1390208454 /nfs/dbraw/zinc/20/84/54/1390208454.db2.gz QYDCTHFCKSEGMM-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1CC([NH2+]CC2CC3(CCC3)C2)C1 ZINC001333121942 1390252041 /nfs/dbraw/zinc/25/20/41/1390252041.db2.gz WZDPKLMNJVJREV-UHFFFAOYSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1(C2CC[NH+](CC3CCCC3)CC2)CC1 ZINC001333181076 1390262292 /nfs/dbraw/zinc/26/22/92/1390262292.db2.gz VQPWKCCVIBJDRD-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CCCn1ccnc1CCC[N@H+](C)C[C@@H]1CC[C@@H](C(F)(F)F)O1 ZINC001333483136 1390315859 /nfs/dbraw/zinc/31/58/59/1390315859.db2.gz KIUMQLCCVOMAAP-KBPBESRZSA-N 2 0 333.398 3.267 10 0 EGAERP c1cn2cc(C[NH2+]CC3CC[NH+](Cc4ccccc4)CC3)sc2n1 ZINC001333668268 1390369527 /nfs/dbraw/zinc/36/95/27/1390369527.db2.gz KDEQTKBSNKWKTN-UHFFFAOYSA-N 2 0 340.496 3.398 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC3CCC([NH+]4CCCCC4)CC3)C[N@@H+]2C1 ZINC001346986749 1390990863 /nfs/dbraw/zinc/99/08/63/1390990863.db2.gz YPWUYXYDBUBDQR-WTCKFOIOSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698826501 1406519375 /nfs/dbraw/zinc/51/93/75/1406519375.db2.gz ZYSIADHTUKWZLE-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001479478888 1392252554 /nfs/dbraw/zinc/25/25/54/1392252554.db2.gz FOAUYFHOUNPWHL-XLGQSGQMSA-N 2 0 349.563 3.482 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@@H]21 ZINC001479614801 1392288498 /nfs/dbraw/zinc/28/84/98/1392288498.db2.gz SSSMBPIVDLYKHR-MISYRCLQSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC[N@@H+]1CCCC(C)(C)C ZINC001479644863 1392304496 /nfs/dbraw/zinc/30/44/96/1392304496.db2.gz HOHGHYFRKANFIH-OKZBNKHCSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCCC2CCCC2)[C@@H]1C)[NH+](C)C ZINC001479719272 1392336553 /nfs/dbraw/zinc/33/65/53/1392336553.db2.gz QYOHECGWBGSUPC-NZSAHSFTSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001479738915 1392351881 /nfs/dbraw/zinc/35/18/81/1392351881.db2.gz MTPSLLJXIZKUTB-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCC2CC2)C1 ZINC001479739250 1392352908 /nfs/dbraw/zinc/35/29/08/1392352908.db2.gz VTZWSSXFINHOOE-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001479745957 1392362305 /nfs/dbraw/zinc/36/23/05/1392362305.db2.gz QCLDPEFVAKSODE-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479747354 1392364023 /nfs/dbraw/zinc/36/40/23/1392364023.db2.gz ZFQZYYVICURCBL-FNYRVFDFSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479747359 1392364182 /nfs/dbraw/zinc/36/41/82/1392364182.db2.gz ZFQZYYVICURCBL-MGBKSAOESA-N 2 0 349.563 3.434 10 0 EGAERP CC1(C)C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@H+](CCC2CC2)C1 ZINC001479747684 1392364650 /nfs/dbraw/zinc/36/46/50/1392364650.db2.gz DNKWVCQDRPRQDO-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001479980883 1392514544 /nfs/dbraw/zinc/51/45/44/1392514544.db2.gz KLEOIPUSYUWPLG-DSQZMVHQSA-N 2 0 347.547 3.186 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@@H]2C[NH+](CCCC3CCC3)CC[C@H]21 ZINC001480188109 1392618070 /nfs/dbraw/zinc/61/80/70/1392618070.db2.gz FMDOTGSHBBCGMV-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[N@@H+]1CCCC[C@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001480318398 1392678149 /nfs/dbraw/zinc/67/81/49/1392678149.db2.gz BKRKUBSETWNWCX-SFHVURJKSA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001480352767 1392701002 /nfs/dbraw/zinc/70/10/02/1392701002.db2.gz ZRNGHZLYQIRADO-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+]1CC ZINC001480373648 1392716048 /nfs/dbraw/zinc/71/60/48/1392716048.db2.gz RCUJUBRMOSDPPA-RBUKOAKNSA-N 2 0 337.552 3.364 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480648835 1392836075 /nfs/dbraw/zinc/83/60/75/1392836075.db2.gz PNCHIJSFBVLWFE-AZUAARDMSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480697897 1392861778 /nfs/dbraw/zinc/86/17/78/1392861778.db2.gz JAGAYOFJQXVOJZ-OSFIAYCASA-N 2 0 335.536 3.234 10 0 EGAERP C[N@H+](CCCC(C)(C)C)[C@H]1CCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001480723785 1392885550 /nfs/dbraw/zinc/88/55/50/1392885550.db2.gz DKKHSSCHBZMZOF-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[NH+]1CC(C)C)CC1=CCCCC1 ZINC001480984872 1393067234 /nfs/dbraw/zinc/06/72/34/1393067234.db2.gz DBMHJHSOOPVDFX-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@@H](C)c1cccc(Cl)c1 ZINC001481018544 1393094640 /nfs/dbraw/zinc/09/46/40/1393094640.db2.gz BSWPIYNYHWYSTN-HNNXBMFYSA-N 2 0 339.911 3.179 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001481337052 1393166541 /nfs/dbraw/zinc/16/65/41/1393166541.db2.gz ZDDXAKFIBOUZOD-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C1CCCCC1 ZINC001698884615 1406617582 /nfs/dbraw/zinc/61/75/82/1406617582.db2.gz OJWRKRHFVZQZEY-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001698895502 1406628090 /nfs/dbraw/zinc/62/80/90/1406628090.db2.gz YOGJWUVZTDJXNQ-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H]1CC[N@H+](CCCC2CCC2)C1 ZINC001481400326 1394248950 /nfs/dbraw/zinc/24/89/50/1394248950.db2.gz PQGSRCBNKUONPR-MISYRCLQSA-N 2 0 349.563 3.220 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC12CC[NH+](CC1CCC1)CC2 ZINC001490606878 1394280310 /nfs/dbraw/zinc/28/03/10/1394280310.db2.gz BBOXJTULTKMIRY-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@@H]([NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001490718928 1394305701 /nfs/dbraw/zinc/30/57/01/1394305701.db2.gz ZQSWOSHSGXJTNH-HXUWFJFHSA-N 2 0 347.547 3.093 10 0 EGAERP CC1CC[NH+](CC(=O)NCC[C@@H]2CC[N@H+](CC3=CCCCC3)C2)CC1 ZINC001481461280 1394317716 /nfs/dbraw/zinc/31/77/16/1394317716.db2.gz ZDYVORVELFAAGL-HXUWFJFHSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001481509017 1394356025 /nfs/dbraw/zinc/35/60/25/1394356025.db2.gz MZTNWCACIIFYFY-UXHICEINSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001490827150 1394356259 /nfs/dbraw/zinc/35/62/59/1394356259.db2.gz WSLIIIDJKIVMLJ-YOYZPVNRSA-N 2 0 347.547 3.330 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001481527836 1394381767 /nfs/dbraw/zinc/38/17/67/1394381767.db2.gz NBGZUJGUDJCCIU-RLWBPELLSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC(CC[NH+](C)CC3CCCC3)CC2)CC[N@@H+]1C ZINC001698952013 1406693023 /nfs/dbraw/zinc/69/30/23/1406693023.db2.gz MZNVXBOXDDGLSI-YLJYHZDGSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CCC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001481537088 1394397683 /nfs/dbraw/zinc/39/76/83/1394397683.db2.gz CGFAUQMKIAEBIL-PMACEKPBSA-N 2 0 345.531 3.196 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2C[NH2+]CCC2CCCCC2)C1 ZINC001491269493 1394497638 /nfs/dbraw/zinc/49/76/38/1394497638.db2.gz DPWCAPRETZGQMS-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001481777141 1394521272 /nfs/dbraw/zinc/52/12/72/1394521272.db2.gz FAHPXSILZQIKSD-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H](C)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001491683305 1394526257 /nfs/dbraw/zinc/52/62/57/1394526257.db2.gz RYFHCXWCRZGCJF-PXNSSMCTSA-N 2 0 345.531 3.108 10 0 EGAERP CC[C@@H](CNC(=O)c1ccc2c[nH+]cn2c1C)[NH2+]Cc1ccsc1 ZINC001481828310 1394548207 /nfs/dbraw/zinc/54/82/07/1394548207.db2.gz RSCZRMIQFSVVPT-HNNXBMFYSA-N 2 0 342.468 3.002 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C\Cl ZINC001481844746 1394555315 /nfs/dbraw/zinc/55/53/15/1394555315.db2.gz SOPAGLWHEHTYPV-AUJJKBCWSA-N 2 0 341.927 3.020 10 0 EGAERP C[C@@H]1CCCC[C@@]1(C[NH2+]CC1CCCC1)NC(=O)C1(C[NH+](C)C)CC1 ZINC001481960108 1394620839 /nfs/dbraw/zinc/62/08/39/1394620839.db2.gz BAJGFCYXCREPNO-UTKZUKDTSA-N 2 0 349.563 3.173 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1 ZINC001481991904 1394652097 /nfs/dbraw/zinc/65/20/97/1394652097.db2.gz RSPXPWOAGIDMHI-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC[NH2+]CCCC(C)(C)C)CC1)[NH+](C)C ZINC001482000691 1394660039 /nfs/dbraw/zinc/66/00/39/1394660039.db2.gz RNJAEWBRKRRMQP-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(CC[NH2+]CC2CCCCC2)CC1 ZINC001482007930 1394667973 /nfs/dbraw/zinc/66/79/73/1394667973.db2.gz UBWWIOVZPUARJI-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001482020404 1394677180 /nfs/dbraw/zinc/67/71/80/1394677180.db2.gz DPTUZLNKWWLDLS-BRWVUGGUSA-N 2 0 325.541 3.027 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)(C)C)CC1 ZINC001482021845 1394678665 /nfs/dbraw/zinc/67/86/65/1394678665.db2.gz CUZZVTFXQTUWSR-QAQDUYKDSA-N 2 0 325.541 3.172 10 0 EGAERP CC[C@H](F)C[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001482035505 1394696354 /nfs/dbraw/zinc/69/63/54/1394696354.db2.gz CJRJFIXIUAXPAB-OALUTQOASA-N 2 0 349.494 3.015 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]Cc1ccccc1F)[NH+](CC)CC ZINC001482062289 1394723522 /nfs/dbraw/zinc/72/35/22/1394723522.db2.gz IKJMGXLMXDJNHJ-MJGOQNOKSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001482065366 1394726240 /nfs/dbraw/zinc/72/62/40/1394726240.db2.gz BENNRQZSWFUOBW-LJQANCHMSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109192 1394751212 /nfs/dbraw/zinc/75/12/12/1394751212.db2.gz ASSLWYGMIWLWRR-MJGOQNOKSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337096 1394905102 /nfs/dbraw/zinc/90/51/02/1394905102.db2.gz MWUVTUPYGGYKBT-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482385206 1394946620 /nfs/dbraw/zinc/94/66/20/1394946620.db2.gz HIGQRKCQIXKBKU-ICSRJNTNSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001482390831 1394951277 /nfs/dbraw/zinc/95/12/77/1394951277.db2.gz IGNMMFYNONDHPQ-QUCCMNQESA-N 2 0 349.563 3.314 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001482455117 1395014024 /nfs/dbraw/zinc/01/40/24/1395014024.db2.gz KXFWFYBYTRSHRD-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CCC[N@@H+]3C(C)C)C2)CC1 ZINC001483836026 1395103573 /nfs/dbraw/zinc/10/35/73/1395103573.db2.gz PFDZABBGYOXTIS-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001483914008 1395142539 /nfs/dbraw/zinc/14/25/39/1395142539.db2.gz LNWCLTFWRFIEMP-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[NH+]1CCC(C)(NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001483967192 1395167336 /nfs/dbraw/zinc/16/73/36/1395167336.db2.gz KFUXKKGLZKXYRR-GOSISDBHSA-N 2 0 337.552 3.410 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@]1(C)CCC[NH+](CC2CCCC2)C1 ZINC001484161679 1395295907 /nfs/dbraw/zinc/29/59/07/1395295907.db2.gz SXWUHPUXBQPDDS-CTNGQTDRSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001484471479 1395406266 /nfs/dbraw/zinc/40/62/66/1395406266.db2.gz WRAVVLIGSXKXHT-XUVXKRRUSA-N 2 0 349.563 3.220 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001484618165 1395452693 /nfs/dbraw/zinc/45/26/93/1395452693.db2.gz INMUCHAMORRDRR-OBNUAKFSSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001484716349 1395476982 /nfs/dbraw/zinc/47/69/82/1395476982.db2.gz ITLPUZQDDGJUAG-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001484724120 1395487147 /nfs/dbraw/zinc/48/71/47/1395487147.db2.gz NNCHQXNMBJZQKF-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CCC[NH+]2CCCC2)CC1 ZINC001484728500 1395492284 /nfs/dbraw/zinc/49/22/84/1395492284.db2.gz QCESXRDMOMRZFM-LLHWWHOWSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001484982648 1395623335 /nfs/dbraw/zinc/62/33/35/1395623335.db2.gz TYRJIKOHQQRVTE-SJLPKXTDSA-N 2 0 347.547 3.020 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001485461260 1395936195 /nfs/dbraw/zinc/93/61/95/1395936195.db2.gz GMASVOVOPCHWAN-OALUTQOASA-N 2 0 337.552 3.316 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001485694932 1396104871 /nfs/dbraw/zinc/10/48/71/1396104871.db2.gz YCAZVINKOPIPJT-NCXUSEDFSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H](CCC[NH2+]Cc1ccccc1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001485740652 1396127734 /nfs/dbraw/zinc/12/77/34/1396127734.db2.gz RHAKDZWBVVFPEO-MOPGFXCFSA-N 2 0 345.531 3.326 10 0 EGAERP Cc1cccc(C[N@@H+](C)C2CCN(C(=O)CCCC[NH+](C)C)CC2)c1 ZINC001485767265 1396144426 /nfs/dbraw/zinc/14/44/26/1396144426.db2.gz VXVYHWPNYZIGCM-UHFFFAOYSA-N 2 0 345.531 3.150 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCC1 ZINC001485781741 1396151627 /nfs/dbraw/zinc/15/16/27/1396151627.db2.gz CEVPUDKRLGJLTP-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001486090134 1396176687 /nfs/dbraw/zinc/17/66/87/1396176687.db2.gz FQNDUGLHHDGMSA-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]1C[NH2+]CC/C=C\c1ccccc1 ZINC001499955684 1396185352 /nfs/dbraw/zinc/18/53/52/1396185352.db2.gz WMQYTWGIXRZNJR-HXKWKUIBSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001486236532 1396186418 /nfs/dbraw/zinc/18/64/18/1396186418.db2.gz UGLGUIVBTKCIFP-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001699000930 1406811225 /nfs/dbraw/zinc/81/12/25/1406811225.db2.gz GZVQJNLFBVJUOM-ICSRJNTNSA-N 2 0 345.531 3.006 10 0 EGAERP CC[N@H+](CC1CCCC1)CC1CCN(C(=O)C[NH+](C)C(C)C)CC1 ZINC001505400798 1396288656 /nfs/dbraw/zinc/28/86/56/1396288656.db2.gz CMHTUVPEZNEQQH-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCCC[NH+]1C ZINC001492166287 1396311251 /nfs/dbraw/zinc/31/12/51/1396311251.db2.gz LJKVPZXSMSARON-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001492176347 1396312696 /nfs/dbraw/zinc/31/26/96/1396312696.db2.gz XGDQKOJINNOBED-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC(C)C)CC1 ZINC001493827693 1396343296 /nfs/dbraw/zinc/34/32/96/1396343296.db2.gz POEOZNXREMVMCS-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc([C@@H](CNC(=O)[C@H]2CCC[N@@H+]2C)[NH2+]CCCF)cc1 ZINC001493878493 1396344083 /nfs/dbraw/zinc/34/40/83/1396344083.db2.gz JTOIBSWVVNLNMQ-RTBURBONSA-N 2 0 349.494 3.011 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@H]1CC[NH+]([C@H](C)c2ccccc2F)C1 ZINC001494083062 1396357872 /nfs/dbraw/zinc/35/78/72/1396357872.db2.gz LUNMUVQYZKUFEU-SJORKVTESA-N 2 0 349.494 3.055 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001494320283 1396430924 /nfs/dbraw/zinc/43/09/24/1396430924.db2.gz NQPABXOIFAEYMP-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)C[NH2+]CC1=CCCCC1)[NH+]1CCCCCC1 ZINC001495751563 1396555674 /nfs/dbraw/zinc/55/56/74/1396555674.db2.gz CXELRKAREUHMIZ-QZTJIDSGSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@H](C[NH2+]CC/C=C/c1ccccc1)N(C)C(=O)C1([NH+](C)C)CCC1 ZINC001496082763 1396597705 /nfs/dbraw/zinc/59/77/05/1396597705.db2.gz UCNMRZWWAMPWTO-INMULRNOSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]Cc1cc(C)ccc1C ZINC001496084258 1396598114 /nfs/dbraw/zinc/59/81/14/1396598114.db2.gz WARGGFORGQSBAN-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001496432479 1396706508 /nfs/dbraw/zinc/70/65/08/1396706508.db2.gz YRDDODYMHIRUKA-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCCCC1 ZINC001497278444 1396744343 /nfs/dbraw/zinc/74/43/43/1396744343.db2.gz WMBCHWDVOZCEJI-IEBWSBKVSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H]([NH2+]C/C=C/CNC(=O)CC[NH+](C)C)c1cccc2ccccc21 ZINC001497676349 1396780046 /nfs/dbraw/zinc/78/00/46/1396780046.db2.gz YKWWOANSHKFBHW-LXXRFIIISA-N 2 0 339.483 3.115 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C/C[NH2+]CC1CCCCC1)[NH+]1CCCCC1 ZINC001497764586 1396834876 /nfs/dbraw/zinc/83/48/76/1396834876.db2.gz PIZNQRZCWXQWMN-DUIUGDAFSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)[C@H]1CC[NH2+]CC1CC1 ZINC001689056811 1396857406 /nfs/dbraw/zinc/85/74/06/1396857406.db2.gz YOQPLQRMYJYDLR-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497989486 1396904109 /nfs/dbraw/zinc/90/41/09/1396904109.db2.gz BMFAGCKJYWQXBZ-MRXNPFEDSA-N 2 0 343.515 3.036 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCC1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001497991344 1396905813 /nfs/dbraw/zinc/90/58/13/1396905813.db2.gz YYQWMOLCMFNNSU-QGZVFWFLSA-N 2 0 345.531 3.427 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCC[NH+](CC3CCCC3)[C@H]2C1(C)C ZINC001689146796 1396948054 /nfs/dbraw/zinc/94/80/54/1396948054.db2.gz NOIZVCMWXUNTLE-MISYRCLQSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[NH+]1C(C)C ZINC001689149531 1396949479 /nfs/dbraw/zinc/94/94/79/1396949479.db2.gz BUDVSULQZJZMFY-HAGHYFMRSA-N 2 0 349.563 3.076 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001689265277 1396997268 /nfs/dbraw/zinc/99/72/68/1396997268.db2.gz QWUPPVGKTITXJT-ROUUACIJSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCCC[C@@H]([NH2+]Cc2ccc(F)cc2)C1 ZINC001689267020 1396998269 /nfs/dbraw/zinc/99/82/69/1396998269.db2.gz CRRCXECNPLHCSE-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP CCc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC001498454223 1396999254 /nfs/dbraw/zinc/99/92/54/1396999254.db2.gz AVDKOQCCROUIKG-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CC1)CC(C)(C)C ZINC001689352949 1403683817 /nfs/dbraw/zinc/68/38/17/1403683817.db2.gz ZXGMCEXAWIDZHU-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC(C)(C)C1 ZINC001689362858 1403699239 /nfs/dbraw/zinc/69/92/39/1403699239.db2.gz IPJZRYWRPCXUKM-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)CC[C@@H]2CCC[NH+]2C)c(C)c1 ZINC001689807795 1404148867 /nfs/dbraw/zinc/14/88/67/1404148867.db2.gz IKNYNKFIQWDRAL-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CCc1ccc(C[N@H+](C)CCCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001689820856 1404159843 /nfs/dbraw/zinc/15/98/43/1404159843.db2.gz GNUAVHZIMPRIBI-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP CC[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)[C@H](C)c1cccc(F)c1 ZINC001689964885 1404230815 /nfs/dbraw/zinc/23/08/15/1404230815.db2.gz AGVOLVJSSXOJAG-IAGOWNOFSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001690123091 1404317292 /nfs/dbraw/zinc/31/72/92/1404317292.db2.gz IPEXCDCVOLQSMC-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001690345250 1404485275 /nfs/dbraw/zinc/48/52/75/1404485275.db2.gz MXTPLRJHNSDYCQ-FGTMMUONSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1ccccc1[C@H](C)[NH+]1CCC[C@H](CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690394381 1404537159 /nfs/dbraw/zinc/53/71/59/1404537159.db2.gz YRKLAXFXRVQCNO-RBUKOAKNSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@H](C(=O)NC[C@H](C)[NH2+]Cc1c(C)ccc2ccccc21)[NH+](C)C ZINC001690638014 1404670254 /nfs/dbraw/zinc/67/02/54/1404670254.db2.gz AWYYOFNJVSIZBB-OXJNMPFZSA-N 2 0 341.499 3.083 10 0 EGAERP C[N@H+](CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001690772893 1404722347 /nfs/dbraw/zinc/72/23/47/1404722347.db2.gz YGWXCPPBFHHLAY-RTBURBONSA-N 2 0 347.547 3.378 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]([NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001690772891 1404722626 /nfs/dbraw/zinc/72/26/26/1404722626.db2.gz YGWXCPPBFHHLAY-OALUTQOASA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690785508 1404732141 /nfs/dbraw/zinc/73/21/41/1404732141.db2.gz UXCNGRAKKSXLQV-MOPGFXCFSA-N 2 0 335.536 3.090 10 0 EGAERP CC[C@@H](C)C[N@H+](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001690823381 1404759461 /nfs/dbraw/zinc/75/94/61/1404759461.db2.gz XGTLQJFUUVJHDX-MJGOQNOKSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H](CCNC(=O)[C@H](C)Cc1c[nH]cn1)[NH2+]CC1CCCCCC1 ZINC001690867448 1404786103 /nfs/dbraw/zinc/78/61/03/1404786103.db2.gz VVKHFXQFMHZWHZ-HZPDHXFCSA-N 2 0 334.508 3.043 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CCCC(C)(C)C ZINC001691082347 1405016516 /nfs/dbraw/zinc/01/65/16/1405016516.db2.gz IJMDWQNVMKZSPD-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001691102495 1405041343 /nfs/dbraw/zinc/04/13/43/1405041343.db2.gz IVZIZSKKFNSIPN-PRPIBZDOSA-N 2 0 343.515 3.299 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001725741406 1426417263 /nfs/dbraw/zinc/41/72/63/1426417263.db2.gz BVJXTUJPXCIXPU-GOSISDBHSA-N 2 0 349.563 3.482 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1C[C@@H]([NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001691473645 1405291524 /nfs/dbraw/zinc/29/15/24/1405291524.db2.gz ROSUORXJGKKUBN-QRVBRYPASA-N 2 0 345.531 3.191 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CC1CCC1 ZINC001691490570 1405299611 /nfs/dbraw/zinc/29/96/11/1405299611.db2.gz BRYNYWJTQHJTKM-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC[N@@H+]1CC1CC(C)C1 ZINC001691516038 1405315294 /nfs/dbraw/zinc/31/52/94/1405315294.db2.gz QUKZELDHZSNPNF-GHBBCFCZSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001691541319 1405331982 /nfs/dbraw/zinc/33/19/82/1405331982.db2.gz RUEYJMQWDUVIHQ-UFYCRDLUSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H]1CC[N@@H+]1CC1CC(C)(C)C1)[NH+]1CCCC1 ZINC001691677657 1405411844 /nfs/dbraw/zinc/41/18/44/1405411844.db2.gz FOLDHUJFSXETDH-RTBURBONSA-N 2 0 349.563 3.076 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H]1CC[NH+]1CCCC(C)(C)C ZINC001691679401 1405414335 /nfs/dbraw/zinc/41/43/35/1405414335.db2.gz URUYCJFCGIZCAL-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CCC(C)(C)C)C(C)C)CC[N@@H+]1C ZINC001691726967 1405450306 /nfs/dbraw/zinc/45/03/06/1405450306.db2.gz RQTZKCLNDKHRDT-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)[C@@H]1C)[NH+]1CCCC1 ZINC001691765807 1405478838 /nfs/dbraw/zinc/47/88/38/1405478838.db2.gz ZIGUJVBJAMDHGI-HOJAQTOUSA-N 2 0 349.563 3.266 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)c1ccc(C(C)C)cc1 ZINC001691773546 1405484779 /nfs/dbraw/zinc/48/47/79/1405484779.db2.gz YNTBLWNNBSZXAP-XLIONFOSSA-N 2 0 345.531 3.309 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001691796761 1405507968 /nfs/dbraw/zinc/50/79/68/1405507968.db2.gz NMBGNRSTZMTOLO-HKUYNNGSSA-N 2 0 331.504 3.108 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001691798248 1405509247 /nfs/dbraw/zinc/50/92/47/1405509247.db2.gz AELNMNNWINIXGU-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@H](C)C1)[C@H]1CC[N@H+](CC2=CCCCC2)C1 ZINC001691860908 1405579433 /nfs/dbraw/zinc/57/94/33/1405579433.db2.gz NAVMGJIZYQFCAO-ICSRJNTNSA-N 2 0 347.547 3.142 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001691910975 1405636481 /nfs/dbraw/zinc/63/64/81/1405636481.db2.gz VMJLLLTXRVOVTK-DSLXNQLJSA-N 2 0 337.552 3.027 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCC[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001691922537 1405652617 /nfs/dbraw/zinc/65/26/17/1405652617.db2.gz POSIFMAIFPMVID-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001691955099 1405673499 /nfs/dbraw/zinc/67/34/99/1405673499.db2.gz IITJLPALMLSOIT-GPXQEHKYSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CCC2CC2)C1)[NH+]1CCCCC1 ZINC001691954930 1405673620 /nfs/dbraw/zinc/67/36/20/1405673620.db2.gz BGGTWOONUJXZHY-XUVXKRRUSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1C/C=C\c1ccccc1 ZINC001692005006 1405722492 /nfs/dbraw/zinc/72/24/92/1405722492.db2.gz PFRPNYBQDBFZPW-MYPZJPOHSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H]1CCN(C(=O)C[NH+]2CCCC2)[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001692101689 1405771762 /nfs/dbraw/zinc/77/17/62/1405771762.db2.gz KHGZOQSAICYQDN-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[NH+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[N@H+]1CC(C)C ZINC001731749054 1427842713 /nfs/dbraw/zinc/84/27/13/1427842713.db2.gz HHERUMYVMJADSH-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC(CC)CC)C1 ZINC001692132559 1405789955 /nfs/dbraw/zinc/78/99/55/1405789955.db2.gz ZQVVANIRGBGLBY-GOSISDBHSA-N 2 0 325.541 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@@H]2CCC[NH+]2C)CC[N@@H+]1CC1CCCCC1 ZINC001692188754 1405829989 /nfs/dbraw/zinc/82/99/89/1405829989.db2.gz KUFZOTUHZHNRTG-SLFFLAALSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CCC2CCCC2)C1 ZINC001692332743 1405952082 /nfs/dbraw/zinc/95/20/82/1405952082.db2.gz DUVVCVPGZCNENL-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731912040 1428168554 /nfs/dbraw/zinc/16/85/54/1428168554.db2.gz ZHCSQIKHYUFCBO-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCC1 ZINC001732012127 1428225953 /nfs/dbraw/zinc/22/59/53/1428225953.db2.gz DDMOPXBPRULCCB-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001698553859 1406150923 /nfs/dbraw/zinc/15/09/23/1406150923.db2.gz QIYIBQLADJLJMC-ROUKRRSUSA-N 2 0 343.515 3.299 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001698568574 1406171762 /nfs/dbraw/zinc/17/17/62/1406171762.db2.gz DWKCWOIQBLQBBL-FQEVSTJZSA-N 2 0 345.531 3.127 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001698570420 1406174398 /nfs/dbraw/zinc/17/43/98/1406174398.db2.gz UKCRBMISUQDIGD-ZWKOTPCHSA-N 2 0 339.568 3.466 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698577513 1406187291 /nfs/dbraw/zinc/18/72/91/1406187291.db2.gz PRPMBKHGNTXNOU-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]Cc1cc(C)ccc1C ZINC001698600588 1406226232 /nfs/dbraw/zinc/22/62/32/1406226232.db2.gz KTQZATJOYMXAAT-SLFFLAALSA-N 2 0 345.531 3.018 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC1=CCCCC1 ZINC001698607691 1406236217 /nfs/dbraw/zinc/23/62/17/1406236217.db2.gz BYGSTYDJWGZRHA-SFHVURJKSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001732021474 1428238980 /nfs/dbraw/zinc/23/89/80/1428238980.db2.gz DSSSGJXNGRGPAB-HKUYNNGSSA-N 2 0 343.515 3.108 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]([NH2+]CC1=CCCCC1)c1ccccc1 ZINC001732026031 1428244545 /nfs/dbraw/zinc/24/45/45/1428244545.db2.gz GSTDRRMNGQEHHQ-HXUWFJFHSA-N 2 0 343.515 3.274 10 0 EGAERP O=C(C[NH+]1CCCC1)NC[C@@H]([NH2+]CCC1CCCC1)c1ccccc1 ZINC001732027377 1428246015 /nfs/dbraw/zinc/24/60/15/1428246015.db2.gz SAGSCWKPPVIQAA-HXUWFJFHSA-N 2 0 343.515 3.110 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CCC)C1 ZINC001732036675 1428257949 /nfs/dbraw/zinc/25/79/49/1428257949.db2.gz HLNXRUQYULKRRZ-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CCCN(C(=O)C[NH+](C)C1CCC1)[C@H]1CC[N@H+](CC2CC(C)(C)C2)C1 ZINC001732040440 1428268623 /nfs/dbraw/zinc/26/86/23/1428268623.db2.gz YUHIXKIIDABHBV-IBGZPJMESA-N 2 0 349.563 3.220 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001732042099 1428273517 /nfs/dbraw/zinc/27/35/17/1428273517.db2.gz YTPCGHWFMKDTOR-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001732050135 1428289006 /nfs/dbraw/zinc/28/90/06/1428289006.db2.gz QFDKBFUZAWUENS-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[N@@H+]1CC[C@@H](CCNC(=O)[C@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001732050824 1428290569 /nfs/dbraw/zinc/29/05/69/1428290569.db2.gz YWVVJWWBRYFQLM-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH+]2CC(NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001732118249 1428370188 /nfs/dbraw/zinc/37/01/88/1428370188.db2.gz DJUTUGSSXSHTKJ-OALUTQOASA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001732135443 1428381618 /nfs/dbraw/zinc/38/16/18/1428381618.db2.gz WJMBONFVKKODRL-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001732166064 1428408323 /nfs/dbraw/zinc/40/83/23/1428408323.db2.gz UKTAJFBBGJNMCR-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccccc1C ZINC001732207902 1428456943 /nfs/dbraw/zinc/45/69/43/1428456943.db2.gz RAPKSAHXCSEKLL-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCC[C@@H](CC[NH2+]CCCC2CCCC2)C1 ZINC001732286373 1428514784 /nfs/dbraw/zinc/51/47/84/1428514784.db2.gz FGXXYMMENITFMX-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC(C)(C)C)CC2)C1 ZINC001732313329 1428525232 /nfs/dbraw/zinc/52/52/32/1428525232.db2.gz CMECHAUZGNICOL-KZNAEPCWSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)cc1 ZINC001732317075 1428527798 /nfs/dbraw/zinc/52/77/98/1428527798.db2.gz NEDRTRMLAGTMSP-VQTJNVASSA-N 2 0 345.531 3.313 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001732326273 1428534733 /nfs/dbraw/zinc/53/47/33/1428534733.db2.gz WPZZSFGPTLTLMG-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(NCCC1CC[NH+](CC2CCC2)CC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001732326012 1428534872 /nfs/dbraw/zinc/53/48/72/1428534872.db2.gz NMZFEUPDKGBDMN-VQTJNVASSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H](CNC(=O)CC[NH+]1CCCCC1)C[NH2+]CC1CCC(C)CC1 ZINC001732371685 1428552837 /nfs/dbraw/zinc/55/28/37/1428552837.db2.gz HZQOGJPHVPNMOK-XBMUEBEBSA-N 2 0 337.552 3.031 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]C1(CNC(=O)C[C@H]2CC[N@H+](C)C2)CCCC1 ZINC001732400287 1428566390 /nfs/dbraw/zinc/56/63/90/1428566390.db2.gz YURGHEHDECJYRI-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@H]2C)c1 ZINC001732495999 1428618077 /nfs/dbraw/zinc/61/80/77/1428618077.db2.gz PIACZIVWLNBRQB-QUCCMNQESA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001732508512 1428627536 /nfs/dbraw/zinc/62/75/36/1428627536.db2.gz XIQNBDWSNDDOPU-YZGWKJHDSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccccc1F)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001699140025 1412531497 /nfs/dbraw/zinc/53/14/97/1412531497.db2.gz DUYNNKMBHKYNQL-IRXDYDNUSA-N 2 0 349.494 3.075 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188832 1412562017 /nfs/dbraw/zinc/56/20/17/1412562017.db2.gz QZZZPQSANSDDLG-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CCN(CC[NH2+]CCCC(C)C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699204611 1412572986 /nfs/dbraw/zinc/57/29/86/1412572986.db2.gz PKGNRWAYROLORF-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC/C=C/C[NH2+]CC1CCC(C)(C)CC1 ZINC001699273614 1412608695 /nfs/dbraw/zinc/60/86/95/1412608695.db2.gz YCRIUTVNDCWDAA-PXPVJAHISA-N 2 0 349.563 3.339 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CC2(CCC2)C1)NC(=O)CCC[NH+]1CCCCC1 ZINC001699468447 1412840825 /nfs/dbraw/zinc/84/08/25/1412840825.db2.gz ASZXDEVMVPIYQH-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCCCC1 ZINC001699539975 1412913632 /nfs/dbraw/zinc/91/36/32/1412913632.db2.gz ZUYJETWLBBAPJC-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C2CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001699606902 1412970452 /nfs/dbraw/zinc/97/04/52/1412970452.db2.gz OPZXDQUFXHOSOC-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+]1CCC ZINC001699678400 1413073469 /nfs/dbraw/zinc/07/34/69/1413073469.db2.gz WAKXSUQIFNNUAE-IPQPSQTFSA-N 2 0 335.536 3.163 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001699681149 1413075055 /nfs/dbraw/zinc/07/50/55/1413075055.db2.gz LCXZHFWAQVFHNU-IHWFROFDSA-N 2 0 349.563 3.410 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[N@H+](C)C2CCC2)[C@@H](C)C1 ZINC001699732574 1413144563 /nfs/dbraw/zinc/14/45/63/1413144563.db2.gz HFJQFKKGWGDULE-ZGKJDNBHSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCCC1CCC1 ZINC001699749364 1413158078 /nfs/dbraw/zinc/15/80/78/1413158078.db2.gz HZXVPOLODITLSA-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@@H]2CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001699766207 1413171172 /nfs/dbraw/zinc/17/11/72/1413171172.db2.gz PTJLDAFBOWHUDX-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CC(=O)NC1(C)CC[NH+](CCC(C)(C)C)CC1)CC(C)(C)C ZINC001699773550 1413181564 /nfs/dbraw/zinc/18/15/64/1413181564.db2.gz XGMDOUQDTBAVRE-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@H]1CCCC[N@H+]1C(C)C)C1CCCC1 ZINC001699796101 1413205057 /nfs/dbraw/zinc/20/50/57/1413205057.db2.gz LJVFAJZJNRZNRN-WOJBJXKFSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)CC1CC[NH+](C)CC1)C1CCCC1 ZINC001699797750 1413207598 /nfs/dbraw/zinc/20/75/98/1413207598.db2.gz YMLSWTSEEIERDS-LJQANCHMSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001699845641 1413274684 /nfs/dbraw/zinc/27/46/84/1413274684.db2.gz BNZQMQRYKCNXOI-OIDOJQHXSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)CCC[NH2+]C[C@]1(C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001699848498 1413277643 /nfs/dbraw/zinc/27/76/43/1413277643.db2.gz PYWULMIWRVYOEY-FQEVSTJZSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001732545158 1428720157 /nfs/dbraw/zinc/72/01/57/1428720157.db2.gz SPNYREYDQGUIKR-YHTLKTDXSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@H]1CCC[NH+]1C)C2 ZINC001699975450 1413415493 /nfs/dbraw/zinc/41/54/93/1413415493.db2.gz BIYUQPWWVNSECC-AKHDSKFASA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)C[N@H+](C)CCC1CCN(C(=O)[C@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001732551044 1428734283 /nfs/dbraw/zinc/73/42/83/1428734283.db2.gz PUABEURYBUWWGQ-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)(C)CCC[NH+]1CCC2(CN(C(=O)CCc3c[nH]cn3)C2)CC1 ZINC001700109050 1413528186 /nfs/dbraw/zinc/52/81/86/1413528186.db2.gz WSWNSOUHZVBPCE-UHFFFAOYSA-N 2 0 346.519 3.093 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](CC1CC(C)(C)C1)CC2 ZINC001700109585 1413529067 /nfs/dbraw/zinc/52/90/67/1413529067.db2.gz QFXKXEFKWMDVDJ-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCCC2)CCC1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001700139365 1413558608 /nfs/dbraw/zinc/55/86/08/1413558608.db2.gz ZBYPLFYVZCMAJP-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001700201859 1413645109 /nfs/dbraw/zinc/64/51/09/1413645109.db2.gz KYQKKWMBGDLZMW-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC(CC)([NH2+]CCF)CC1)c1ccccc1 ZINC001700221995 1413669742 /nfs/dbraw/zinc/66/97/42/1413669742.db2.gz IHBPOTYNNCVSEH-SFHVURJKSA-N 2 0 349.494 3.010 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1Cc2ccccc2C[N@@H+]1C(C)C)[NH+](CC)CC ZINC001700226661 1413680989 /nfs/dbraw/zinc/68/09/89/1413680989.db2.gz KBGRWSBRPGBDRN-WOJBJXKFSA-N 2 0 345.531 3.058 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C2 ZINC001700228813 1413685730 /nfs/dbraw/zinc/68/57/30/1413685730.db2.gz GMRJUMXKQXCTOG-QUCCMNQESA-N 2 0 337.552 3.077 10 0 EGAERP 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MBVRTSAHEQGFGD-SJORKVTESA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001713666806 1418422604 /nfs/dbraw/zinc/42/26/04/1418422604.db2.gz DNGCFXPCCQHJFU-KRWDZBQOSA-N 2 0 341.499 3.289 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001713678189 1418430236 /nfs/dbraw/zinc/43/02/36/1418430236.db2.gz UKKUCGCCCHPDIB-PVTFFILZSA-N 2 0 349.563 3.432 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC2=CCCCC2)C(C)C)CC[N@@H+]1C ZINC001713689096 1418442142 /nfs/dbraw/zinc/44/21/42/1418442142.db2.gz SLJVMIMCJYZGSK-VQTJNVASSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[NH2+][C@@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)c1ccccc1 ZINC001713700036 1418456603 /nfs/dbraw/zinc/45/66/03/1418456603.db2.gz DJMVENCIDBEWCK-IBGZPJMESA-N 2 0 345.531 3.497 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001713727585 1418508580 /nfs/dbraw/zinc/50/85/80/1418508580.db2.gz DQGXALBBMGVCMU-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CCC[NH+]1CCC(N(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001713779966 1418596280 /nfs/dbraw/zinc/59/62/80/1418596280.db2.gz RNGPBIUMKXYKIJ-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001713792258 1418610326 /nfs/dbraw/zinc/61/03/26/1418610326.db2.gz VVTOCOXBOGYQML-LSLCWXNRSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001713896673 1418694062 /nfs/dbraw/zinc/69/40/62/1418694062.db2.gz JRGMMCWHRPLCCG-XJDXJNMNSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2C[C@@H]3C[C@H]2CN3C(=O)CCCC[NH+](C)C)c1 ZINC001713941491 1418729989 /nfs/dbraw/zinc/72/99/89/1418729989.db2.gz YUOYNJXORPVMHR-IHPCNDPISA-N 2 0 343.515 3.073 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713968935 1418747891 /nfs/dbraw/zinc/74/78/91/1418747891.db2.gz RQAAUHHRUMBJFK-UWCDRFHNSA-N 2 0 335.536 3.090 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001713981377 1418761430 /nfs/dbraw/zinc/76/14/30/1418761430.db2.gz HHWNVKVSKPCWES-LXORQPIJSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC001713992913 1418771725 /nfs/dbraw/zinc/77/17/25/1418771725.db2.gz CNPGOSJFQDHPQC-MHORFTMASA-N 2 0 335.536 3.066 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001714003081 1418782458 /nfs/dbraw/zinc/78/24/58/1418782458.db2.gz AGAGZAJXBPOJTH-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001714024948 1418808764 /nfs/dbraw/zinc/80/87/64/1418808764.db2.gz KGSZXACGPCVGKC-SFHVURJKSA-N 2 0 337.552 3.076 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC[C@H]1CCCC[N@@H+]1CC1=CCCCC1 ZINC001714118251 1418922436 /nfs/dbraw/zinc/92/24/36/1418922436.db2.gz NRCZOCYFBWAGCI-HXUWFJFHSA-N 2 0 347.547 3.334 10 0 EGAERP CC[N@@H+]1CCC[C@H]1[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001714143416 1418946137 /nfs/dbraw/zinc/94/61/37/1418946137.db2.gz BRNGZBLYVJPMLG-RBUKOAKNSA-N 2 0 335.536 3.118 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001714144021 1418947218 /nfs/dbraw/zinc/94/72/18/1418947218.db2.gz ITGGQWYSIDBHQP-RTBURBONSA-N 2 0 335.536 3.118 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CC1=CCCCC1 ZINC001714146590 1418951813 /nfs/dbraw/zinc/95/18/13/1418951813.db2.gz YQCFNJWAMIULSI-VQTJNVASSA-N 2 0 347.547 3.284 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1CCC([NH2+]CC2=CCCCC2)CC1 ZINC001714199627 1419003935 /nfs/dbraw/zinc/00/39/35/1419003935.db2.gz AKPFYIFOYIPCAD-UHFFFAOYSA-N 2 0 347.547 3.380 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001714201800 1419005965 /nfs/dbraw/zinc/00/59/65/1419005965.db2.gz YHOJAJAHAXCKCM-UXHICEINSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001733198859 1429301371 /nfs/dbraw/zinc/30/13/71/1429301371.db2.gz MSIUMSKOADSZDD-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCC[C@@H](CC[NH2+]CCC3CCCCC3)C2)C1 ZINC001714238999 1419028465 /nfs/dbraw/zinc/02/84/65/1419028465.db2.gz KBHNFFQDLJXYAE-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[NH2+]CCC1CCN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714268174 1419050078 /nfs/dbraw/zinc/05/00/78/1419050078.db2.gz LAZPDYOFBXLBEO-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001714334934 1419113562 /nfs/dbraw/zinc/11/35/62/1419113562.db2.gz YTXGDYVQOPQNCW-KAGICYHLSA-N 2 0 335.536 3.186 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714367733 1419127356 /nfs/dbraw/zinc/12/73/56/1419127356.db2.gz RKXZOFSEDXUCLR-XHHZUUQWSA-N 2 0 349.563 3.435 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCCC3CCCC3)C2)CC1 ZINC001714406239 1419147852 /nfs/dbraw/zinc/14/78/52/1419147852.db2.gz GFYDVJINJSLJIC-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CCc1ccc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001714484500 1419207629 /nfs/dbraw/zinc/20/76/29/1419207629.db2.gz HMHRLLISSZXXEP-QGZVFWFLSA-N 2 0 345.531 3.108 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH+]2CC3(C2)CCN(C(=O)CC[NH+](C)C)CC3)C1 ZINC001714523753 1419249679 /nfs/dbraw/zinc/24/96/79/1419249679.db2.gz KTRYBVIUDNACLP-MOPGFXCFSA-N 2 0 349.563 3.079 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)c1ccccc1 ZINC001714587484 1419331305 /nfs/dbraw/zinc/33/13/05/1419331305.db2.gz PYNIHIQEKIUIPQ-QGZVFWFLSA-N 2 0 331.504 3.060 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001714748495 1419492762 /nfs/dbraw/zinc/49/27/62/1419492762.db2.gz HSNNKMSMOCMTIS-AEFFLSMTSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001714816188 1419526982 /nfs/dbraw/zinc/52/69/82/1419526982.db2.gz OSZMDKBIPHWGFS-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001714870506 1419600154 /nfs/dbraw/zinc/60/01/54/1419600154.db2.gz HXHJQCZCQIRPCU-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCC2CCCC2)C1 ZINC001714910108 1419655355 /nfs/dbraw/zinc/65/53/55/1419655355.db2.gz SSPTUQMWAODMFR-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+](CC1=CCCCC1)C[C@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714910729 1419657135 /nfs/dbraw/zinc/65/71/35/1419657135.db2.gz ZJPRFYBZXVIRTC-HXUWFJFHSA-N 2 0 347.547 3.143 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714917152 1419668671 /nfs/dbraw/zinc/66/86/71/1419668671.db2.gz TVHNREVCOVSPHG-RLWBPELLSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C ZINC001714929433 1419681895 /nfs/dbraw/zinc/68/18/95/1419681895.db2.gz XNDVQZYSODVLNW-RBUKOAKNSA-N 2 0 335.536 3.092 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001714974366 1419709114 /nfs/dbraw/zinc/70/91/14/1419709114.db2.gz IRPFLQICZSPSTN-GOSISDBHSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH+]2CC(CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001714982751 1419716870 /nfs/dbraw/zinc/71/68/70/1419716870.db2.gz UNYHHXKDKLBYCQ-QGZVFWFLSA-N 2 0 345.531 3.259 10 0 EGAERP CC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001715062648 1419801238 /nfs/dbraw/zinc/80/12/38/1419801238.db2.gz HTSUYARINGGOOT-RBUKOAKNSA-N 2 0 347.547 3.309 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1ccc(F)cc1 ZINC001715072259 1419807055 /nfs/dbraw/zinc/80/70/55/1419807055.db2.gz UNTMHXRSFBWFIE-CRAIPNDOSA-N 2 0 349.494 3.246 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@](C)(C[NH2+]CC2CCCC2)C2CC2)C1 ZINC001715115047 1419859125 /nfs/dbraw/zinc/85/91/25/1419859125.db2.gz DKAGTXFHCMGBBZ-NQIIRXRSSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@](C)(C[NH2+]CC1CCCCC1)C1CC1 ZINC001715115933 1419860086 /nfs/dbraw/zinc/86/00/86/1419860086.db2.gz URRKBPRXVQGFMP-CTNGQTDRSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]C[C@@]1(NC(=O)C2CC[NH+](C)CC2)CCCC[C@H]1C ZINC001715135796 1419884592 /nfs/dbraw/zinc/88/45/92/1419884592.db2.gz XDJATBLQZRWQNT-XLIONFOSSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@H]1CCCC[C@@]1(C[NH2+]CCC(C)(C)C)NC(=O)CCC[NH+](C)C ZINC001715137677 1419886073 /nfs/dbraw/zinc/88/60/73/1419886073.db2.gz ZDDAMFIPHSTCJG-PXNSSMCTSA-N 2 0 339.568 3.419 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001715139850 1419887110 /nfs/dbraw/zinc/88/71/10/1419887110.db2.gz ACQIMPDZRNUMOA-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1CCC[C@H](CC[NH2+][C@H]2CC[C@H](NC(=O)CC[NH+](C)C)CC2)C1 ZINC001715187648 1419919896 /nfs/dbraw/zinc/91/98/96/1419919896.db2.gz PYZYZTFPCJHIER-RDGPPVDQSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH+]1CCC(CCNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001715201783 1419934707 /nfs/dbraw/zinc/93/47/07/1419934707.db2.gz LAWVACXXMBEHCJ-SLVIYJBESA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1C[NH+]2CCC1CC2)C[NH2+]CCC1CCCCCC1 ZINC001715227901 1419960435 /nfs/dbraw/zinc/96/04/35/1419960435.db2.gz GSWLCNCCKOYNRP-YLJYHZDGSA-N 2 0 349.563 3.031 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCCC1CCCC1 ZINC001715248053 1419974482 /nfs/dbraw/zinc/97/44/82/1419974482.db2.gz PRLAJRWRKSIEFN-LNLFQRSKSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001715256904 1419979380 /nfs/dbraw/zinc/97/93/80/1419979380.db2.gz NRWUAYWYPDOBIX-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001715273369 1419989295 /nfs/dbraw/zinc/98/92/95/1419989295.db2.gz QCXRYJJEUIRAMH-IEBWSBKVSA-N 2 0 335.536 3.093 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCC[N@H+]2C(C)C)c(C)c1 ZINC001715327054 1420033871 /nfs/dbraw/zinc/03/38/71/1420033871.db2.gz KEPVNWLEIXWWEY-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001715344004 1420046112 /nfs/dbraw/zinc/04/61/12/1420046112.db2.gz VSBVNRYJQRBTJQ-VQIMIIECSA-N 2 0 347.547 3.261 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)C23CCC[NH+]2CCC3)CC1)c1ccccc1 ZINC001733248879 1429396175 /nfs/dbraw/zinc/39/61/75/1429396175.db2.gz GKSRATOHZCHGKK-SFHVURJKSA-N 2 0 341.499 3.005 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001715388490 1420085155 /nfs/dbraw/zinc/08/51/55/1420085155.db2.gz BWOVYGCLOFJFQV-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001715393419 1420090907 /nfs/dbraw/zinc/09/09/07/1420090907.db2.gz NSIXLYPNJKKWPM-ICSRJNTNSA-N 2 0 345.531 3.272 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C1CCCCC1 ZINC001715404421 1420102953 /nfs/dbraw/zinc/10/29/53/1420102953.db2.gz KNLLOYUMQTUIAP-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001715423045 1420114877 /nfs/dbraw/zinc/11/48/77/1420114877.db2.gz FZDNLAMXBBGCGG-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1C ZINC001715449143 1420132724 /nfs/dbraw/zinc/13/27/24/1420132724.db2.gz XCHOQYICMHCHBM-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001733247855 1429394567 /nfs/dbraw/zinc/39/45/67/1429394567.db2.gz TYPXTZBTWQVSQR-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP C[C@@H]([NH2+]CCC(C)(C)C)[C@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001715464258 1420143976 /nfs/dbraw/zinc/14/39/76/1420143976.db2.gz YVTWFLKLQSXUCR-SJORKVTESA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001715467986 1420147102 /nfs/dbraw/zinc/14/71/02/1420147102.db2.gz SSTWRXQSGRCMOR-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCC1 ZINC001715494527 1420176213 /nfs/dbraw/zinc/17/62/13/1420176213.db2.gz MVZHONHZWKWOSK-UYAOXDASSA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]2C[NH2+]CCCC(C)(C)C)CC1 ZINC001715558538 1420251971 /nfs/dbraw/zinc/25/19/71/1420251971.db2.gz KLDJHDKKMRZPRP-DLBZAZTESA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CC[NH2+]CCCC(C)(C)C)CC1 ZINC001715696597 1420299052 /nfs/dbraw/zinc/29/90/52/1420299052.db2.gz DNVBFUFTJZUOTJ-QGZVFWFLSA-N 2 0 339.568 3.418 10 0 EGAERP C[C@@H]([NH2+]C1(CNC(=O)C[N@H+](C)CC(C)(C)C)CC1)c1cccc(F)c1 ZINC001733256081 1429407212 /nfs/dbraw/zinc/40/72/12/1429407212.db2.gz PCWDYBZOVQKVJC-OAHLLOKOSA-N 2 0 349.494 3.103 10 0 EGAERP CCN(CC[NH2+]CC[C@H]1CCC[C@@H](C)C1)C(=O)C1([NH+](C)C)CCC1 ZINC001715737842 1420319182 /nfs/dbraw/zinc/31/91/82/1420319182.db2.gz JKYSXGVCGOYEOO-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001715764655 1420331729 /nfs/dbraw/zinc/33/17/29/1420331729.db2.gz ZDRFKOLGMXBBOJ-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cc(C)ccc1C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001715767068 1420333068 /nfs/dbraw/zinc/33/30/68/1420333068.db2.gz LEIBIFVQWFDTLC-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCN(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715921289 1420398455 /nfs/dbraw/zinc/39/84/55/1420398455.db2.gz DQKYTNFRPVKHAL-KRWDZBQOSA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)c1ccccc1C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716045631 1420508816 /nfs/dbraw/zinc/50/88/16/1420508816.db2.gz RGKZYSVZVRBDEP-ZWKOTPCHSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716140690 1420539435 /nfs/dbraw/zinc/53/94/35/1420539435.db2.gz ZOQGULVIUISNFR-MSOLQXFVSA-N 2 0 335.536 3.092 10 0 EGAERP CCN(CC[NH2+]CC1CCC(C)CC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001716222036 1420571055 /nfs/dbraw/zinc/57/10/55/1420571055.db2.gz LKVQTDIGEAJZAN-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001716236023 1420576186 /nfs/dbraw/zinc/57/61/86/1420576186.db2.gz WSNZVOUQRHFUDG-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C(=O)NC/C=C/C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001716293465 1420595856 /nfs/dbraw/zinc/59/58/56/1420595856.db2.gz FTIZDKVUXLLSPD-SNAWJCMRSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)C[NH+]1CCCC1 ZINC001716423296 1420651066 /nfs/dbraw/zinc/65/10/66/1420651066.db2.gz LZDKYGWBIFAMNA-SJORKVTESA-N 2 0 345.531 3.235 10 0 EGAERP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@H]1CCCC[N@@H+]1C ZINC001733268566 1429428879 /nfs/dbraw/zinc/42/88/79/1429428879.db2.gz MMAHFGBCBWOEHX-OUCMQRNRSA-N 2 0 347.547 3.329 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001716482355 1420699832 /nfs/dbraw/zinc/69/98/32/1420699832.db2.gz JAMNPJXEMLXNLB-VQIMIIECSA-N 2 0 337.552 3.266 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001716482354 1420699887 /nfs/dbraw/zinc/69/98/87/1420699887.db2.gz JAMNPJXEMLXNLB-QFBILLFUSA-N 2 0 337.552 3.266 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001716482353 1420700302 /nfs/dbraw/zinc/70/03/02/1420700302.db2.gz JAMNPJXEMLXNLB-LPHOPBHVSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001716570997 1420763966 /nfs/dbraw/zinc/76/39/66/1420763966.db2.gz VXJLYFDKJRYMKT-IBGZPJMESA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)C ZINC001716636844 1420794521 /nfs/dbraw/zinc/79/45/21/1420794521.db2.gz MVWXFLOMOFLYTL-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[C@@H](C)n1ccnc1 ZINC001716711776 1420864749 /nfs/dbraw/zinc/86/47/49/1420864749.db2.gz IMUFJPQSRKHYJI-QRVBRYPASA-N 2 0 346.519 3.336 10 0 EGAERP CC(C)=CC[N@@H+](CCNC(=O)C1CC[NH+](C)CC1)C1CCCCCC1 ZINC001716713520 1420866989 /nfs/dbraw/zinc/86/69/89/1420866989.db2.gz LSLFSCZYKTYMTB-UHFFFAOYSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C)C1)C1CCCCCC1 ZINC001716714912 1420870206 /nfs/dbraw/zinc/87/02/06/1420870206.db2.gz ZRHUGMMGVQVKJR-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001716734573 1420893333 /nfs/dbraw/zinc/89/33/33/1420893333.db2.gz CBHUGVOVIMRSER-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[C@H](C)C[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001716753395 1420904723 /nfs/dbraw/zinc/90/47/23/1420904723.db2.gz DMSWHJHUXDUTON-KRWDZBQOSA-N 2 0 345.531 3.187 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)[C@@H](C)C1 ZINC001716767757 1420912983 /nfs/dbraw/zinc/91/29/83/1420912983.db2.gz PMYOPNVDOJTNSM-RLWBPELLSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[NH2+]C[C@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716867725 1420996165 /nfs/dbraw/zinc/99/61/65/1420996165.db2.gz WARDIHHYWMDFBA-FBQMEGEOSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001716887312 1421010858 /nfs/dbraw/zinc/01/08/58/1421010858.db2.gz IJRWBZLLAUTTEK-GFOMBABLSA-N 2 0 337.552 3.147 10 0 EGAERP C[C@@]1(CNC(=O)C23CCC[NH+]2CCC3)CCC[N@H+](CC2CCCC2)C1 ZINC001716895415 1421021811 /nfs/dbraw/zinc/02/18/11/1421021811.db2.gz BHFIUKVAQUQYJU-FQEVSTJZSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@]1(CNC(=O)C[NH+]2CCCC2)CCC[N@H+](CCCC2CCCC2)C1 ZINC001716902070 1421034692 /nfs/dbraw/zinc/03/46/92/1421034692.db2.gz WKRNTJKAUNIPBD-OAQYLSRUSA-N 2 0 349.563 3.271 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H]2CCCN(C(=O)CC[NH+](C)C)C2)CC1 ZINC001716953229 1421049186 /nfs/dbraw/zinc/04/91/86/1421049186.db2.gz WOIXRRXYJICJPF-XJDXJNMNSA-N 2 0 349.563 3.245 10 0 EGAERP CCc1ccccc1[C@H](CNC(=O)CC[NH+]1CCCCC1)[NH2+]C(C)C ZINC001716954924 1421050206 /nfs/dbraw/zinc/05/02/06/1421050206.db2.gz FAHNZTJQYMJTDF-FQEVSTJZSA-N 2 0 345.531 3.280 10 0 EGAERP CCCCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001716972339 1421057665 /nfs/dbraw/zinc/05/76/65/1421057665.db2.gz ZOCPUSDDIGAKDR-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001716972667 1421057751 /nfs/dbraw/zinc/05/77/51/1421057751.db2.gz CUWRFEJUANQJGY-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCC2CC2)CC1 ZINC001717004359 1421073290 /nfs/dbraw/zinc/07/32/90/1421073290.db2.gz IEBLFANEQUQQFI-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)C[NH+]3CCC(C)CC3)[C@@H]2C1 ZINC001717042448 1421097046 /nfs/dbraw/zinc/09/70/46/1421097046.db2.gz SBLULROMNNPBJB-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H](C)C[NH2+]CC[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001717103260 1421111069 /nfs/dbraw/zinc/11/10/69/1421111069.db2.gz YGZUWNZOFHDTRR-MJGOQNOKSA-N 2 0 345.531 3.236 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001717111361 1421114916 /nfs/dbraw/zinc/11/49/16/1421114916.db2.gz QWWAORPXTLDQBH-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717206397 1421177169 /nfs/dbraw/zinc/17/71/69/1421177169.db2.gz IXAMWMJMRMDRRR-UHFFFAOYSA-N 2 0 339.568 3.467 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001717242260 1421210933 /nfs/dbraw/zinc/21/09/33/1421210933.db2.gz RIDARAOSVDRHIQ-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310994 1421254650 /nfs/dbraw/zinc/25/46/50/1421254650.db2.gz RBGUJHLEQOAXFV-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1C ZINC001717332290 1421267037 /nfs/dbraw/zinc/26/70/37/1421267037.db2.gz SKXBSXGDYIRCQL-ZWKOTPCHSA-N 2 0 337.552 3.410 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C[C@H]1C ZINC001717332287 1421267549 /nfs/dbraw/zinc/26/75/49/1421267549.db2.gz SKXBSXGDYIRCQL-MSOLQXFVSA-N 2 0 337.552 3.410 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717336979 1421274035 /nfs/dbraw/zinc/27/40/35/1421274035.db2.gz IKLSOWOKNURFRI-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001717366386 1421301377 /nfs/dbraw/zinc/30/13/77/1421301377.db2.gz ZGIGIZHSSKECSS-CEXWTWQISA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH+](C)CCCC1CCC1 ZINC001717368149 1421305010 /nfs/dbraw/zinc/30/50/10/1421305010.db2.gz YLEJLKMXSLIMAT-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C[NH+]2CCC(C)CC2)c(C)c1 ZINC001717430628 1421359028 /nfs/dbraw/zinc/35/90/28/1421359028.db2.gz INDOVDBRJOPUJI-OALUTQOASA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@@H](C)[NH2+]CC1CCCCC1 ZINC001717432880 1421360788 /nfs/dbraw/zinc/36/07/88/1421360788.db2.gz MKOLCHGCHZWYAD-IAGOWNOFSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001733295741 1429477979 /nfs/dbraw/zinc/47/79/79/1429477979.db2.gz BSIHFMKASATCLO-NRFANRHFSA-N 2 0 347.547 3.143 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H](C)[NH+](C)[C@@H](C)c1cc(C)ccc1C ZINC001717494669 1421434483 /nfs/dbraw/zinc/43/44/83/1421434483.db2.gz NMFQDPTZCIDXQU-MSOLQXFVSA-N 2 0 333.520 3.143 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C(C)C)C(C)C ZINC001717513516 1421450392 /nfs/dbraw/zinc/45/03/92/1421450392.db2.gz WBKUKKUXLCBVGQ-OALUTQOASA-N 2 0 337.552 3.288 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)C[NH+]3CCC(C)CC3)C2)C1 ZINC001733300236 1429485241 /nfs/dbraw/zinc/48/52/41/1429485241.db2.gz LPDBVNFHVRWESX-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[NH2+]CCC[C@@H](NC(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001717717583 1421585445 /nfs/dbraw/zinc/58/54/45/1421585445.db2.gz ZVTGZXFJNSFXMW-LJQANCHMSA-N 2 0 343.515 3.252 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)cc1 ZINC001717738497 1421602449 /nfs/dbraw/zinc/60/24/49/1421602449.db2.gz KVFDRTJVWGFLPC-KRWDZBQOSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@H]1[C@H]([NH2+]Cc2ccccc2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001717806298 1421632026 /nfs/dbraw/zinc/63/20/26/1421632026.db2.gz UOXFBIZBGFZXCJ-AZUAARDMSA-N 2 0 343.515 3.032 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717878606 1421684215 /nfs/dbraw/zinc/68/42/15/1421684215.db2.gz YKMQUAZBSWCELD-ZWKOTPCHSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001717952337 1421723166 /nfs/dbraw/zinc/72/31/66/1421723166.db2.gz TUQGBZUXPFPWCB-OALUTQOASA-N 2 0 345.531 3.258 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)C1CCC1)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001717978926 1421749756 /nfs/dbraw/zinc/74/97/56/1421749756.db2.gz OQEUJUFYOWSFLZ-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001717980694 1421752369 /nfs/dbraw/zinc/75/23/69/1421752369.db2.gz IERAMFHSDXMWGI-PVTFFILZSA-N 2 0 349.563 3.434 10 0 EGAERP CN(C(=O)C12CCC[NH+]1CCC2)C1CC([NH2+]CCCC(C)(C)C)C1 ZINC001717994115 1421762847 /nfs/dbraw/zinc/76/28/47/1421762847.db2.gz RQCRONRITPZKQI-UHFFFAOYSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)CCC[NH+]1CCC(C2(NC(=O)C[N@H+](C)C(C)C)CC2)CC1 ZINC001718004389 1421771104 /nfs/dbraw/zinc/77/11/04/1421771104.db2.gz PUOMBNRLPWKHGD-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H]1C[NH2+]CC1CCCCC1 ZINC001733355600 1429535847 /nfs/dbraw/zinc/53/58/47/1429535847.db2.gz XPIDCVZYOUUEBU-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)C[N@@H+](C)CC(C)(C)C)CC1 ZINC001733451296 1429663663 /nfs/dbraw/zinc/66/36/63/1429663663.db2.gz IWIDYHGLTOSDGI-UHFFFAOYSA-N 2 0 337.552 3.149 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001723375994 1424376751 /nfs/dbraw/zinc/37/67/51/1424376751.db2.gz CXWAHIRTMDKKCW-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723691288 1424531793 /nfs/dbraw/zinc/53/17/93/1424531793.db2.gz OTVLCCXNQQKWMU-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2CCCN2C(=O)CCCC[NH+](C)C)cc1C ZINC001723966678 1424613222 /nfs/dbraw/zinc/61/32/22/1424613222.db2.gz FEWRWSQVSDFLDM-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP Cc1cccc(C[NH+]2CCC(C)(NC(=O)CCCC[NH+](C)C)CC2)c1 ZINC001724021886 1424631848 /nfs/dbraw/zinc/63/18/48/1424631848.db2.gz FYHFPMBOGZUSDQ-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCC2CCCC2)C3)CCC1 ZINC001724501871 1424878238 /nfs/dbraw/zinc/87/82/38/1424878238.db2.gz PIKSDZZMILBTQG-OTWHNJEPSA-N 2 0 347.547 3.020 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724537633 1424900552 /nfs/dbraw/zinc/90/05/52/1424900552.db2.gz BPICWICPHMKHRJ-HKUYNNGSSA-N 2 0 345.531 3.031 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724541137 1424902244 /nfs/dbraw/zinc/90/22/44/1424902244.db2.gz VBBDYUGRALWENJ-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001724608899 1424945648 /nfs/dbraw/zinc/94/56/48/1424945648.db2.gz QFRURPXXGWIQQB-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC1CC[NH+](C)CC1 ZINC001724646361 1425002400 /nfs/dbraw/zinc/00/24/00/1425002400.db2.gz ALSLYJVZLCDRLF-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001724740121 1425102650 /nfs/dbraw/zinc/10/26/50/1425102650.db2.gz FMXCTRWSOIGLQQ-FQEVSTJZSA-N 2 0 345.531 3.408 10 0 EGAERP CCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)cc1 ZINC001724741350 1425107603 /nfs/dbraw/zinc/10/76/03/1425107603.db2.gz KDTWKJHDOAOZSN-AYOQOUSVSA-N 2 0 331.504 3.094 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001724752051 1425122562 /nfs/dbraw/zinc/12/25/62/1425122562.db2.gz KQRLDQNBUSPZQG-VJANTYMQSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCC1 ZINC001724795899 1425163463 /nfs/dbraw/zinc/16/34/63/1425163463.db2.gz JLYVLSMYCCQNIP-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001724846481 1425198964 /nfs/dbraw/zinc/19/89/64/1425198964.db2.gz VHNSPUADJIPDPS-XHHZUUQWSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+]C1(CC)CCN(C(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001724882915 1425264593 /nfs/dbraw/zinc/26/45/93/1425264593.db2.gz DYCCIJLLGZWUOZ-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)NCc1ccc2c(c1)C[NH+](CCC(C)(C)C)C2 ZINC001724922167 1425306908 /nfs/dbraw/zinc/30/69/08/1425306908.db2.gz CZZPSLSIFQSTGG-UHFFFAOYSA-N 2 0 345.531 3.396 10 0 EGAERP CC(C)(C)CC[NH2+]C1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001724955298 1425341193 /nfs/dbraw/zinc/34/11/93/1425341193.db2.gz BMUFKSSKLRTPCB-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+][C@@H](C)CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001725007208 1425421446 /nfs/dbraw/zinc/42/14/46/1425421446.db2.gz OQHLWCABDUQZID-UWAMSTNLSA-N 2 0 341.515 3.040 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001725051247 1425483711 /nfs/dbraw/zinc/48/37/11/1425483711.db2.gz YEYNAYHWQYQBTL-FHWLQOOXSA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C[NH+]2CCCC2)CC1 ZINC001725136225 1425610550 /nfs/dbraw/zinc/61/05/50/1425610550.db2.gz FPUQXNPWGAWAKO-WAYWQWQTSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CCCCC1 ZINC001725226691 1425795125 /nfs/dbraw/zinc/79/51/25/1425795125.db2.gz CTCVOYFXGRBSFN-HDICACEKSA-N 2 0 337.552 3.314 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001725227991 1425797620 /nfs/dbraw/zinc/79/76/20/1425797620.db2.gz DNXRHHXHYHHQNR-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001725231199 1425805386 /nfs/dbraw/zinc/80/53/86/1425805386.db2.gz FQVVNNQCARXYMC-MJGOQNOKSA-N 2 0 337.552 3.457 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)C1 ZINC001725250992 1425871125 /nfs/dbraw/zinc/87/11/25/1425871125.db2.gz YJFJGUNRGDPQKW-TYLRKXQCSA-N 2 0 335.536 3.042 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001725299290 1425947836 /nfs/dbraw/zinc/94/78/36/1425947836.db2.gz QVCVSQAXUYAMAU-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001725300445 1425949182 /nfs/dbraw/zinc/94/91/82/1425949182.db2.gz UEBXCJZPICUIGA-DUMMIQTOSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001725358739 1426008633 /nfs/dbraw/zinc/00/86/33/1426008633.db2.gz DBYWRGDNSZONQZ-LNLFQRSKSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001725369352 1426020084 /nfs/dbraw/zinc/02/00/84/1426020084.db2.gz NRYRRKNTTPSUMZ-UFYCRDLUSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C[NH2+][C@H](CCNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)cc1 ZINC001725443666 1426104428 /nfs/dbraw/zinc/10/44/28/1426104428.db2.gz AAPWXWCKFOGCRU-WOJBJXKFSA-N 2 0 345.531 3.100 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1ccc2ccccc2c1 ZINC001725504863 1426186403 /nfs/dbraw/zinc/18/64/03/1426186403.db2.gz KCOQDMPFYRGOCS-SJORKVTESA-N 2 0 341.499 3.289 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001725519110 1426210084 /nfs/dbraw/zinc/21/00/84/1426210084.db2.gz AAKQGCSGALLYSK-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001725519150 1426210385 /nfs/dbraw/zinc/21/03/85/1426210385.db2.gz AMDBNQYVSSQYBJ-AZUAARDMSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)C2CCC2)CCC[N@@H+]1CCC1=CCCCC1 ZINC001725615497 1426277058 /nfs/dbraw/zinc/27/70/58/1426277058.db2.gz BDEGMVPNDGXAHJ-XLIONFOSSA-N 2 0 347.547 3.330 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)c2ccccc2C)C(C)(C)C1 ZINC001725678001 1426365255 /nfs/dbraw/zinc/36/52/55/1426365255.db2.gz OUGXBSOPNUTEGF-HKUYNNGSSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CN(C(=O)CCCC[NH+]2CCCC2)CC1(C)C ZINC001725682974 1426370183 /nfs/dbraw/zinc/37/01/83/1426370183.db2.gz NVWHHJLIYBFKKC-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)C1(C[NH+](C)C)CCCCC1)C(C)(C)C ZINC001725744019 1426420852 /nfs/dbraw/zinc/42/08/52/1426420852.db2.gz JUGARZYXYJUXCD-KRWDZBQOSA-N 2 0 339.568 3.419 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1=CC[NH+]([C@@H](CC)c2ccccc2)CC1 ZINC001725834110 1426512773 /nfs/dbraw/zinc/51/27/73/1426512773.db2.gz PLLXGNANCLSNIE-FQEVSTJZSA-N 2 0 343.515 3.228 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)CCCNC(=O)[C@@H]2CCC[NH+]2C)cc1 ZINC001731232546 1427191954 /nfs/dbraw/zinc/19/19/54/1427191954.db2.gz JSLLGSMXQGRDFD-PXNSSMCTSA-N 2 0 345.531 3.403 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[N@H+](C)CCC2CCCCC2)CC1 ZINC001731273745 1427219469 /nfs/dbraw/zinc/21/94/69/1427219469.db2.gz DQLOIKHTCXDZIY-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCCC[N@@H+](C)CC2=CCCCC2)C1 ZINC001731277528 1427222183 /nfs/dbraw/zinc/22/21/83/1427222183.db2.gz IPJNGOJATYNPGK-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001731378812 1427314189 /nfs/dbraw/zinc/31/41/89/1427314189.db2.gz RYQXFNNWOUZUOO-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001731388221 1427337588 /nfs/dbraw/zinc/33/75/88/1427337588.db2.gz YOEZDLXPTGZNHO-UYAOXDASSA-N 2 0 349.563 3.220 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731411006 1427377345 /nfs/dbraw/zinc/37/73/45/1427377345.db2.gz MOGPTELNODTUGQ-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001731426767 1427408120 /nfs/dbraw/zinc/40/81/20/1427408120.db2.gz IKLFUSFPYBVHAU-VNTMZGSJSA-N 2 0 347.547 3.115 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731457543 1427433540 /nfs/dbraw/zinc/43/35/40/1427433540.db2.gz NBHSDTIMMJTLIG-UWCDRFHNSA-N 2 0 335.536 3.234 10 0 EGAERP CCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)C2CCCCC2)C1 ZINC001731469322 1427450158 /nfs/dbraw/zinc/45/01/58/1427450158.db2.gz YJBJJMYZOKMLRC-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001731519202 1427507624 /nfs/dbraw/zinc/50/76/24/1427507624.db2.gz PRRFFWJZQHUHDR-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731547823 1427564230 /nfs/dbraw/zinc/56/42/30/1427564230.db2.gz CPOVXEVKZLICJE-GOSISDBHSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@H](C(=O)N1CC[C@H](C[NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001731670395 1427720143 /nfs/dbraw/zinc/72/01/43/1427720143.db2.gz BDOIJXJSYUPCQZ-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001731680395 1427727965 /nfs/dbraw/zinc/72/79/65/1427727965.db2.gz BBONOGVFCNZUHA-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP C[C@H](CCNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001731730187 1427806039 /nfs/dbraw/zinc/80/60/39/1427806039.db2.gz ZOTHOZOLNPAOGQ-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP C[NH+](C)C1(C(=O)NCCC[C@@H]2CCC[N@@H+]2Cc2ccccc2)CCC1 ZINC001731751320 1427846624 /nfs/dbraw/zinc/84/66/24/1427846624.db2.gz VMKFCVGNZOIIAH-LJQANCHMSA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001731837914 1428055537 /nfs/dbraw/zinc/05/55/37/1428055537.db2.gz IVLFPMDPZRMDRZ-XJDXJNMNSA-N 2 0 343.515 3.299 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001731860541 1428099612 /nfs/dbraw/zinc/09/96/12/1428099612.db2.gz LULAOZWZCURVRU-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001731860540 1428100037 /nfs/dbraw/zinc/10/00/37/1428100037.db2.gz LULAOZWZCURVRU-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC1CCC(C[N@H+](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C2CC2)CC1 ZINC001731880211 1428150597 /nfs/dbraw/zinc/15/05/97/1428150597.db2.gz NBMYGPCGSBZIPJ-JEVOJNTISA-N 2 0 349.563 3.124 10 0 EGAERP CCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001731995717 1428204526 /nfs/dbraw/zinc/20/45/26/1428204526.db2.gz HZEVWJMEPKBRDT-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1C[C@@H]2CCCN(C(=O)[C@@H]3CCCC[NH+]3C)[C@@H]2C1 ZINC001733606353 1429818508 /nfs/dbraw/zinc/81/85/08/1429818508.db2.gz TZTNNDBGYDAUED-FUMNGEBKSA-N 2 0 349.563 3.076 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733671502 1429865099 /nfs/dbraw/zinc/86/50/99/1429865099.db2.gz JTCUSCXGFFTPCD-UXHICEINSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)CCc1c[nH]cn1 ZINC001733678501 1429877435 /nfs/dbraw/zinc/87/74/35/1429877435.db2.gz ZANGZNRHWLTNLB-UHFFFAOYSA-N 2 0 340.471 3.057 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001733691529 1429907864 /nfs/dbraw/zinc/90/78/64/1429907864.db2.gz IYRYQURQRRBQAX-WAAHFUDESA-N 2 0 337.552 3.314 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CCC[C@H]([NH+](C)C)C3)C2)CC1 ZINC001733695929 1429913604 /nfs/dbraw/zinc/91/36/04/1429913604.db2.gz RKENEUSFSITEBF-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001733728174 1429957212 /nfs/dbraw/zinc/95/72/12/1429957212.db2.gz LQMWBRZZUAKHIM-UHFFFAOYSA-N 2 0 349.563 3.461 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CCCC2CCC2)CC1 ZINC001733759960 1429974452 /nfs/dbraw/zinc/97/44/52/1429974452.db2.gz IQKQPHKYHRXYQJ-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)CC[NH+](C)C)C1 ZINC001733783526 1430051690 /nfs/dbraw/zinc/05/16/90/1430051690.db2.gz ZPCNBVWELBPGON-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001733815271 1430096459 /nfs/dbraw/zinc/09/64/59/1430096459.db2.gz YZGBRBOIZGJQOH-NYPGBQQYSA-N 2 0 347.547 3.143 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001733870200 1437696177 /nfs/dbraw/zinc/69/61/77/1437696177.db2.gz ZUVZIMVYBISRQJ-IRXDYDNUSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CCC(C)([NH2+]CCC(C)(C)C)CC1 ZINC001733870199 1437696401 /nfs/dbraw/zinc/69/64/01/1437696401.db2.gz ZUVZIMVYBISRQJ-IAGOWNOFSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001733874714 1437700417 /nfs/dbraw/zinc/70/04/17/1437700417.db2.gz CMKGRMJVXRKYCQ-OVKVCFKUSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C(C)(C)C1 ZINC001733874523 1437700808 /nfs/dbraw/zinc/70/08/08/1437700808.db2.gz BVVMBHBSBCFILR-BZSNNMDCSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877441 1437704602 /nfs/dbraw/zinc/70/46/02/1437704602.db2.gz YYZAKWBGLVKVHN-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H](NC(=O)c1sccc1C[NH+](C)C)[C@H](C)[NH2+]CC1=CCCCC1 ZINC001733976632 1437775873 /nfs/dbraw/zinc/77/58/73/1437775873.db2.gz SLBYNZPRACXJMI-GJZGRUSLSA-N 2 0 349.544 3.407 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001734000814 1437793912 /nfs/dbraw/zinc/79/39/12/1437793912.db2.gz GWIXFPGAGYLAOQ-OALUTQOASA-N 2 0 345.531 3.162 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CCC[NH+]1CCC2 ZINC001734104460 1437890391 /nfs/dbraw/zinc/89/03/91/1437890391.db2.gz UQPXPUCJFYVKCN-SFHVURJKSA-N 2 0 335.536 3.166 10 0 EGAERP CCC(CC)C[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C[C@@H]2C1 ZINC001734189232 1437931790 /nfs/dbraw/zinc/93/17/90/1437931790.db2.gz OCVINBBVDTXSCE-OTWHNJEPSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001734261611 1437977723 /nfs/dbraw/zinc/97/77/23/1437977723.db2.gz OZBHJBDVGFXBES-MJGOQNOKSA-N 2 0 337.552 3.173 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCCC1 ZINC001734262030 1437979765 /nfs/dbraw/zinc/97/97/65/1437979765.db2.gz HQUCFFFVSHHCHP-PKOBYXMFSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[NH2+]CCC[C@H](NC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001734284970 1438012705 /nfs/dbraw/zinc/01/27/05/1438012705.db2.gz NIEUIOSKDPNAJO-RBUKOAKNSA-N 2 0 331.504 3.108 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001734338550 1438059763 /nfs/dbraw/zinc/05/97/63/1438059763.db2.gz FJDFSGMIEGEXSA-QZTJIDSGSA-N 2 0 345.531 3.143 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001734430239 1438094195 /nfs/dbraw/zinc/09/41/95/1438094195.db2.gz ZHZDNOOVDCUTSM-UEALOQRBSA-N 2 0 343.515 3.297 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](Cc1csc(C)c1)CC2)[NH+](C)C ZINC001734439842 1438102293 /nfs/dbraw/zinc/10/22/93/1438102293.db2.gz LIMOPABAKDNCKS-YQVWRLOYSA-N 2 0 349.544 3.010 10 0 EGAERP C[C@H]1[C@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CC1CCCC1 ZINC001734455790 1438113290 /nfs/dbraw/zinc/11/32/90/1438113290.db2.gz FTTKOXDRMHDWDC-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001734496727 1438132719 /nfs/dbraw/zinc/13/27/19/1438132719.db2.gz RNRGAUMSEKJNIK-PLQXZHKYSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)(C)[C@@H](C[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001734563386 1438160133 /nfs/dbraw/zinc/16/01/33/1438160133.db2.gz XNQOCIQOJCYPJQ-RBUKOAKNSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[NH+]1CCC([C@@H](C)NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001734578182 1438170699 /nfs/dbraw/zinc/17/06/99/1438170699.db2.gz ROBBXDPXSIDKCY-XLIONFOSSA-N 2 0 345.531 3.306 10 0 EGAERP CN(C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001734594314 1438180160 /nfs/dbraw/zinc/18/01/60/1438180160.db2.gz NJCWUZXFEGGOSC-KVZIAJEVSA-N 2 0 349.563 3.409 10 0 EGAERP CC[NH+](CC)CCn1c(C[NH2+]C)nc2cc(C(F)(F)F)ccc21 ZINC000040405724 213299115 /nfs/dbraw/zinc/29/91/15/213299115.db2.gz BUEIIZOFSFPSQP-UHFFFAOYSA-N 2 0 328.382 3.116 10 0 EGAERP CCCN(C(=O)CC[C@@H](C)[NH3+])[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC000193301681 240098784 /nfs/dbraw/zinc/09/87/84/240098784.db2.gz VENSOCLBRHWLJY-MJGOQNOKSA-N 2 0 331.504 3.017 10 0 EGAERP O=C(NC1CC[NH+](CC2CCCCC2)CC1)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000366331310 283932390 /nfs/dbraw/zinc/93/23/90/283932390.db2.gz GJDVDEDJJHTWDB-IHPCNDPISA-N 2 0 347.547 3.068 10 0 EGAERP Cc1ccc(C[NH2+]Cc2ccc(CN3CCC[N@@H+](C)CC3)cc2)o1 ZINC000078553018 217073927 /nfs/dbraw/zinc/07/39/27/217073927.db2.gz WBNGUMKVBCMDCG-UHFFFAOYSA-N 2 0 327.472 3.015 10 0 EGAERP Cc1cc(C)n2c(C[NH2+][C@@H]3CCN(Cc4ccccc4)[C@@H]3C)cnc2n1 ZINC000377405216 169021340 /nfs/dbraw/zinc/02/13/40/169021340.db2.gz UOLVCRIDCZWKPY-YLJYHZDGSA-N 2 0 349.482 3.099 10 0 EGAERP O[C@@H](C[NH+]1CCC(C[NH2+]C(C2CC2)C2CC2)CC1)c1ccccc1 ZINC000151905043 285301256 /nfs/dbraw/zinc/30/12/56/285301256.db2.gz FOTUITZXYAXDAY-FQEVSTJZSA-N 2 0 328.500 3.210 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N(C)[C@H]2C[NH+]3CCC2CC3)cc1 ZINC000347917514 141216183 /nfs/dbraw/zinc/21/61/83/141216183.db2.gz BOWIQSDWJVRISH-FQEVSTJZSA-N 2 0 343.515 3.085 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@@H]1CCCOc2cc(C)c(C)cc21 ZINC000165998929 286198398 /nfs/dbraw/zinc/19/83/98/286198398.db2.gz KPCUSVIOECGDFL-PKOBYXMFSA-N 2 0 334.504 3.464 10 0 EGAERP CCO[C@@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000193428382 153291886 /nfs/dbraw/zinc/29/18/86/153291886.db2.gz LRUFLYVDTUNJIS-NRFANRHFSA-N 2 0 339.483 3.413 10 0 EGAERP O[C@H](C[N@@H+]1C[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000311193315 154147216 /nfs/dbraw/zinc/14/72/16/154147216.db2.gz FHMWNJMNZPDFSR-BHIFYINESA-N 2 0 336.479 3.174 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CCOCC1 ZINC000248415561 163002674 /nfs/dbraw/zinc/00/26/74/163002674.db2.gz OEZASGMLTOSAMM-NASSWSRMSA-N 2 0 328.500 3.302 10 0 EGAERP C[C@H]([NH2+][C@H]1CCO[C@@H](C2CC2)C1)c1ccc(OCC[NH+](C)C)cc1 ZINC000248836510 163037972 /nfs/dbraw/zinc/03/79/72/163037972.db2.gz NDSRSEUAHLMYCC-ZAAXVRCTSA-N 2 0 332.488 3.235 10 0 EGAERP CC(C)[C@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1 ZINC000343974280 164074962 /nfs/dbraw/zinc/07/49/62/164074962.db2.gz FXSUKYYTVRJMKF-FQEVSTJZSA-N 2 0 342.487 3.294 10 0 EGAERP CC[C@H](C(=O)NCc1ccc(C[NH+]2CCCC2)cc1)[NH+](CC)CC ZINC000344225399 164130666 /nfs/dbraw/zinc/13/06/66/164130666.db2.gz BULIRVPTKGCHLA-LJQANCHMSA-N 2 0 331.504 3.019 10 0 EGAERP CN1CC[C@@H]([NH2+]CC[C@H]2CCC[N@@H+]2C)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000352082147 165225612 /nfs/dbraw/zinc/22/56/12/165225612.db2.gz HXYVITCLRRXEFL-OLMNPRSZSA-N 2 0 339.886 3.298 10 0 EGAERP O=[S@@](CCN1CCC[C@@H](C[NH+]2CCCCCC2)C1)c1ccccc1 ZINC000355798245 166313348 /nfs/dbraw/zinc/31/33/48/166313348.db2.gz OWFFDYAQQCFPDH-CYFREDJKSA-N 2 0 348.556 3.382 10 0 EGAERP c1[nH]nc2c1CC[C@H]([NH2+][C@@H]1C[C@H]3CC[C@@H](C1)[N@H+]3Cc1ccccc1)C2 ZINC000365731283 168040141 /nfs/dbraw/zinc/04/01/41/168040141.db2.gz CCGPNDHPMLDRAH-LWYYNNOASA-N 2 0 336.483 3.052 10 0 EGAERP COCCCOc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c1 ZINC000367618210 168250726 /nfs/dbraw/zinc/25/07/26/168250726.db2.gz SERRPVOVJPRXRT-AQNXPRMDSA-N 2 0 332.488 3.064 10 0 EGAERP c1nc2c([nH]1)C[C@@H]([NH2+]Cc1ccc(-n3cnc4ccccc43)cc1)CC2 ZINC000368087628 168308811 /nfs/dbraw/zinc/30/88/11/168308811.db2.gz BPSLJPFBIRWIHQ-INIZCTEOSA-N 2 0 343.434 3.396 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cc(Cl)cs2)(N2CCCCC2)CC1 ZINC000193129107 266013134 /nfs/dbraw/zinc/01/31/34/266013134.db2.gz WQFCOIXUCNSBNZ-UHFFFAOYSA-N 2 0 341.952 3.441 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]CC1(CCO)CCCC1 ZINC000268976245 266285099 /nfs/dbraw/zinc/28/50/99/266285099.db2.gz NQYFLUJRQCPJPG-QUCCMNQESA-N 2 0 330.516 3.429 10 0 EGAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+][C@H]2CC[C@@H](c3ccccc3)C2)CC1 ZINC000275584785 267385488 /nfs/dbraw/zinc/38/54/88/267385488.db2.gz NZABCJOFNGQZBC-BVOGOJNSSA-N 2 0 328.500 3.290 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@@H](c2ccc(F)cc2)C2CC2)CC1 ZINC000271882267 275238340 /nfs/dbraw/zinc/23/83/40/275238340.db2.gz SVOQDPBZMAAIQV-HXUWFJFHSA-N 2 0 333.495 3.284 10 0 EGAERP COc1cc([C@H](C)[NH2+]CC2(SC)CC[NH+](C)CC2)ccc1F ZINC000353650062 295023608 /nfs/dbraw/zinc/02/36/08/295023608.db2.gz PVUFGGAILNGFCS-ZDUSSCGKSA-N 2 0 326.481 3.312 10 0 EGAERP C[C@H]1Cc2ccccc2[C@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124673501 307550456 /nfs/dbraw/zinc/55/04/56/307550456.db2.gz VXKLQJUBXHOUQO-RXVVDRJESA-N 2 0 341.543 3.460 10 0 EGAERP CCOc1ccc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1OC ZINC000152690970 307757949 /nfs/dbraw/zinc/75/79/49/307757949.db2.gz QVJPTCDECDUFCY-UHFFFAOYSA-N 2 0 332.488 3.402 10 0 EGAERP CC(C)[C@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414523040 309086272 /nfs/dbraw/zinc/08/62/72/309086272.db2.gz HRGZGBKCCKECEU-RBUKOAKNSA-N 2 0 348.556 3.133 10 0 EGAERP C[C@@H]1C[C@@H](C[N@H+](C)CC(=O)Nc2c(Cl)cccc2Cl)CC[NH2+]1 ZINC000414730287 309097837 /nfs/dbraw/zinc/09/78/37/309097837.db2.gz GMCNFFVBIGPDNU-NEPJUHHUSA-N 2 0 344.286 3.252 10 0 EGAERP Cc1cc(C[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000397681204 308904643 /nfs/dbraw/zinc/90/46/43/308904643.db2.gz LQSSSBFDESERNM-UHFFFAOYSA-N 2 0 330.497 3.173 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1C(F)(F)F)[NH2+][C@H]1CC[NH2+]C[C@H]1C ZINC000414945386 309110551 /nfs/dbraw/zinc/11/05/51/309110551.db2.gz RKZOSMMISGKMBD-BZPMIXESSA-N 2 0 343.393 3.010 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1cccc(OCc2ccccc2F)c1 ZINC000414952238 309111025 /nfs/dbraw/zinc/11/10/25/309111025.db2.gz IMRJNDAWRYFDEL-QRWLVFNGSA-N 2 0 328.431 3.492 10 0 EGAERP COC(=O)c1ccc(Cl)c(CN2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)c1 ZINC000415059450 309117411 /nfs/dbraw/zinc/11/74/11/309117411.db2.gz WXEDHEWDOXWGTB-RHSMWYFYSA-N 2 0 336.863 3.091 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](CCCCOc3ccccc3)CC2)C1 ZINC000415127298 309122421 /nfs/dbraw/zinc/12/24/21/309122421.db2.gz QVYCZPCHWSZHLJ-UYAOXDASSA-N 2 0 332.488 3.064 10 0 EGAERP CCCC[N@@H+]1CCCC[C@@H]1CNC(=O)Nc1ccccc1C[NH2+]C ZINC000415910555 309147794 /nfs/dbraw/zinc/14/77/94/309147794.db2.gz IFBHXAFIDUVZAF-QGZVFWFLSA-N 2 0 332.492 3.182 10 0 EGAERP C[NH+](C)[C@H](CC(=O)NCC[N@H+](C)C1CCCCC1)c1ccccc1 ZINC000416144667 309160769 /nfs/dbraw/zinc/16/07/69/309160769.db2.gz OBKCCYNHLJLSKR-LJQANCHMSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCC[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000417038504 309190652 /nfs/dbraw/zinc/19/06/52/309190652.db2.gz IUQXIQZVUVHPEL-DLBZAZTESA-N 2 0 346.519 3.018 10 0 EGAERP Brc1cccc2c1OCC[C@H]2[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000420405026 309286693 /nfs/dbraw/zinc/28/66/93/309286693.db2.gz MRYRWXRZFFYGSQ-IUODEOHRSA-N 2 0 339.277 3.252 10 0 EGAERP CSc1ccccc1NC(=O)CC[N@@H+]1CCCC[C@H]1[C@@H]1CC[NH2+]C1 ZINC000420405806 309286758 /nfs/dbraw/zinc/28/67/58/309286758.db2.gz UBPGXKBNFGLPHQ-WBVHZDCISA-N 2 0 347.528 3.201 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CCCC[C@H]2C[NH3+])c(OC[C@H]2CCOC2)c1 ZINC000422866345 309372737 /nfs/dbraw/zinc/37/27/37/309372737.db2.gz QEPMNUONYOSAOO-JENIJYKNSA-N 2 0 332.488 3.017 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422934441 309376860 /nfs/dbraw/zinc/37/68/60/309376860.db2.gz FZAQXDFIYNAFBB-YGONEPDPSA-N 2 0 325.294 3.487 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@H]1C ZINC000422923223 309376224 /nfs/dbraw/zinc/37/62/24/309376224.db2.gz VIYSGEAQWJRPPS-DINUWMAGSA-N 2 0 325.456 3.453 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1ccc(-c2ccc(OC)cc2)cc1 ZINC000422919107 309376270 /nfs/dbraw/zinc/37/62/70/309376270.db2.gz JKOXKXBTXNRESS-IBGZPJMESA-N 2 0 328.456 3.206 10 0 EGAERP COC[C@H]([NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)c1ccccc1 ZINC000422953599 309377867 /nfs/dbraw/zinc/37/78/67/309377867.db2.gz FULBWUHJMDAEAB-DYXWJJEUSA-N 2 0 338.451 3.220 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]C1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422956795 309378146 /nfs/dbraw/zinc/37/81/46/309378146.db2.gz LZTAOOZMBOVPEP-OAHLLOKOSA-N 2 0 330.394 3.428 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]C1CC(F)(c2cccc(Cl)c2)C1 ZINC000423092673 309385654 /nfs/dbraw/zinc/38/56/54/309385654.db2.gz CXVXOWZRRIMWBP-WTQHGUCVSA-N 2 0 326.843 3.009 10 0 EGAERP COc1cc2c(cc1F)CC[C@H]2[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423109559 309386495 /nfs/dbraw/zinc/38/64/95/309386495.db2.gz HRSHFIIIDIVXDU-KPZWWZAWSA-N 2 0 329.419 3.335 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]CCc1cccc(C(F)(F)F)n1 ZINC000423126059 309387206 /nfs/dbraw/zinc/38/72/06/309387206.db2.gz ANYHUGUSHUQJNX-NSHDSACASA-N 2 0 338.377 3.156 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NCC[C@H]3CCC[NH2+]3)[C@@H]3CCC[C@H]32)cc1 ZINC000423367668 309397358 /nfs/dbraw/zinc/39/73/58/309397358.db2.gz YRFPAVQLWSZMTQ-IVAOSVALSA-N 3 0 327.516 3.161 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C)[NH+]1CCCCCC1 ZINC000447719989 309986621 /nfs/dbraw/zinc/98/66/21/309986621.db2.gz AJZSILBCMHAXQX-MAUKXSAKSA-N 2 0 345.487 3.275 10 0 EGAERP C[C@H](Cc1ccoc1)[NH2+]CCCN1CC[N@H+](C)C[C@H]1c1ccccc1 ZINC000449073018 310034867 /nfs/dbraw/zinc/03/48/67/310034867.db2.gz HEYPQIZGUXDJEK-NQIIRXRSSA-N 2 0 341.499 3.179 10 0 EGAERP C[C@H](Cc1ccoc1)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449132735 310039198 /nfs/dbraw/zinc/03/91/98/310039198.db2.gz WAWPSIOLPIQTTQ-CVEARBPZSA-N 2 0 345.462 3.452 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCC2CC[NH+](C)CC2)CC1 ZINC000449131968 310039254 /nfs/dbraw/zinc/03/92/54/310039254.db2.gz QTGUOMRYMTVPGX-IBGZPJMESA-N 3 0 343.559 3.404 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+]Cc2cc(Cl)sc2Cl)CC1 ZINC000449222414 310045548 /nfs/dbraw/zinc/04/55/48/310045548.db2.gz MFZGIZHBAYSEEU-UHFFFAOYSA-N 2 0 336.332 3.171 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCOC(F)(F)F)CC1 ZINC000449281554 310049685 /nfs/dbraw/zinc/04/96/85/310049685.db2.gz ZUOXVNBHFBWDAD-AWEZNQCLSA-N 2 0 330.394 3.208 10 0 EGAERP CC(C)[N@@H+](C)C[C@@H](C)NC1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449337937 310054624 /nfs/dbraw/zinc/05/46/24/310054624.db2.gz QUVUAHMLPVHZNC-RTBURBONSA-N 2 0 331.548 3.400 10 0 EGAERP O[C@@H]1CCC[C@H]1C[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000449734804 310083271 /nfs/dbraw/zinc/08/32/71/310083271.db2.gz DTRXHLMVQDLFRY-SRHPJPHMSA-N 2 0 328.500 3.038 10 0 EGAERP C[C@@H](C[NH2+][C@H]1CCc2c1ccc(F)c2Br)C[NH+](C)C ZINC000453227054 310265362 /nfs/dbraw/zinc/26/53/62/310265362.db2.gz CGCSSCQTJQWDAI-HZMBPMFUSA-N 2 0 329.257 3.363 10 0 EGAERP Cc1ccc(OC(F)F)c([C@@H](C)[NH2+]C[C@H]2CCCCN2CCO)c1 ZINC000453273247 310268479 /nfs/dbraw/zinc/26/84/79/310268479.db2.gz VNGJIDWYDOTMMO-HUUCEWRRSA-N 2 0 342.430 3.094 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)[C@H]1CCCCO1 ZINC000507484750 312074708 /nfs/dbraw/zinc/07/47/08/312074708.db2.gz KDQJNXSVSJUPRP-OUJGAGHGSA-N 2 0 328.500 3.444 10 0 EGAERP C/C(=C/c1ccc(Cl)cc1)C[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000513488328 312211552 /nfs/dbraw/zinc/21/15/52/312211552.db2.gz SRNBIQFFYNLJFS-PEZBUJJGSA-N 2 0 335.923 3.359 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(Br)s2)[C@@H]2CCC[C@H]21 ZINC000513654395 312214795 /nfs/dbraw/zinc/21/47/95/312214795.db2.gz IFXMMDVJUMVLTH-RWMBFGLXSA-N 2 0 329.307 3.473 10 0 EGAERP CCC[N@H+](C)CC(=O)NCC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000514054936 312223274 /nfs/dbraw/zinc/22/32/74/312223274.db2.gz YLOZMUNFMYXAHN-UHFFFAOYSA-N 2 0 345.531 3.137 10 0 EGAERP CN(C)[C@H](C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@@H]21)c1ccccc1Cl ZINC000514097870 312225193 /nfs/dbraw/zinc/22/51/93/312225193.db2.gz BXEVWUZBRLRTNG-NXWXRZEISA-N 2 0 335.923 3.405 10 0 EGAERP Cc1c[nH+]ccc1N1CCC(c2nc([C@@H]([NH3+])CC(C)C)no2)CC1 ZINC000515060361 312263186 /nfs/dbraw/zinc/26/31/86/312263186.db2.gz ZQCIMGGGPMTIRC-HNNXBMFYSA-N 2 0 329.448 3.203 10 0 EGAERP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+]3CCCC3)cc2)ccn1 ZINC000527685326 312911106 /nfs/dbraw/zinc/91/11/06/312911106.db2.gz UBEZNOOOKSRRCO-UHFFFAOYSA-N 2 0 339.483 3.197 10 0 EGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC2(O)Cc3ccccc3C2)CC1 ZINC000532232520 313772210 /nfs/dbraw/zinc/77/22/10/313772210.db2.gz KVYSUWLNHOXGQP-UWJYYQICSA-N 2 0 342.527 3.149 10 0 EGAERP C[C@@H](c1cccc(F)c1)N1CCN(CC[C@H]2CCCC[N@@H+]2C)CC1 ZINC000537682500 314202730 /nfs/dbraw/zinc/20/27/30/314202730.db2.gz VQWXHSKPNDWYNM-FXAWDEMLSA-N 2 0 333.495 3.379 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@@H](C)[NH2+]CC2=CC[N@H+](C)CC2)cc1 ZINC000540605542 314392388 /nfs/dbraw/zinc/39/23/88/314392388.db2.gz FAIFRJLYBWHIQQ-MRXNPFEDSA-N 2 0 329.488 3.379 10 0 EGAERP C[N@H+](CCC(=O)N[C@@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000548392271 315003326 /nfs/dbraw/zinc/00/33/26/315003326.db2.gz OMEBRZBZCUOSHG-TZIWHRDSSA-N 2 0 343.515 3.203 10 0 EGAERP c1cn(CCCC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)cn1 ZINC000568051087 316716022 /nfs/dbraw/zinc/71/60/22/316716022.db2.gz WRISMSCRPVHYOF-UHFFFAOYSA-N 2 0 338.499 3.221 10 0 EGAERP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+]Cc2ccc3c[nH]nc3c2)cc1 ZINC000570690055 317094350 /nfs/dbraw/zinc/09/43/50/317094350.db2.gz CTTLZGBSUUUMDG-MJGOQNOKSA-N 2 0 338.430 3.185 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+]Cc2ccc(-c3cnn(C)c3)s2)cc1 ZINC000572129259 317296005 /nfs/dbraw/zinc/29/60/05/317296005.db2.gz NIIVVBBFASJNCF-CYBMUJFWSA-N 2 0 326.469 3.458 10 0 EGAERP c1ccc2c(c1)O[C@H](C[NH2+][C@@H]1CCC[C@H]1[C@H]1CCCC[NH2+]1)CS2 ZINC000574811682 317638973 /nfs/dbraw/zinc/63/89/73/317638973.db2.gz NYLZCOQUUIPJNB-YYIAUSFCSA-N 2 0 332.513 3.440 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@H]2CCC[C@H]21 ZINC000579361891 325100423 /nfs/dbraw/zinc/10/04/23/325100423.db2.gz JAQYXSJPMMKVKY-VHDGCEQUSA-N 2 0 343.302 3.263 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)[C@@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000183212099 455252502 /nfs/dbraw/zinc/25/25/02/455252502.db2.gz MEADYXXQKCWFHX-JSJNYSNDSA-N 2 0 332.488 3.001 10 0 EGAERP C[C@@H](CCc1cccc(F)c1)[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000183271477 455266313 /nfs/dbraw/zinc/26/63/13/455266313.db2.gz IAWPLQWMYRNBJH-GHTZIAJQSA-N 2 0 347.522 3.249 10 0 EGAERP [NH3+][C@H]1CCCCCN(Cc2ccc(OCc3cccnc3)cc2)C1 ZINC000631833497 460575788 /nfs/dbraw/zinc/57/57/88/460575788.db2.gz BLTXYVBXWPPDFR-IBGZPJMESA-N 2 0 325.456 3.364 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@@H](CN[C@H]1CC[NH+](C)C(C)(C)C1)C1CC1 ZINC000623496016 460581520 /nfs/dbraw/zinc/58/15/20/460581520.db2.gz DXJFUIDQBKMLJN-PMACEKPBSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@@H](Cc1ccoc1)[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1 ZINC000084961229 454017658 /nfs/dbraw/zinc/01/76/58/454017658.db2.gz MNHSNYTVSKDXIB-KRWDZBQOSA-N 2 0 328.456 3.475 10 0 EGAERP COc1cc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc(Cl)c1OC ZINC000131760138 454283199 /nfs/dbraw/zinc/28/31/99/454283199.db2.gz NVURTBFZYLFZLX-GOOCMWNKSA-N 2 0 338.879 3.462 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1cccc(OC)c1 ZINC000132431726 454337957 /nfs/dbraw/zinc/33/79/57/454337957.db2.gz LWRGXMXEQDZLSY-PMACEKPBSA-N 2 0 333.520 3.008 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073102794 454394592 /nfs/dbraw/zinc/39/45/92/454394592.db2.gz HZLVDVRCJIEFNQ-GOSISDBHSA-N 2 0 342.487 3.016 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc2ccn(CC[NH+](C)C)c2c1 ZINC000073102796 454394982 /nfs/dbraw/zinc/39/49/82/454394982.db2.gz HZLVDVRCJIEFNQ-SFHVURJKSA-N 2 0 342.487 3.016 10 0 EGAERP CC(C)=CC[NH+]1CCC(n2cc(C[N@@H+]3CCCC3(C)C)nn2)CC1 ZINC000048101514 454443460 /nfs/dbraw/zinc/44/34/60/454443460.db2.gz DIGSFXDYWDDINV-UHFFFAOYSA-N 2 0 331.508 3.256 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](Cc3cnc4c(C)cccn34)C2)[nH+]1 ZINC000092813266 454639763 /nfs/dbraw/zinc/63/97/63/454639763.db2.gz KWIIMMKSQWCZAR-KRWDZBQOSA-N 2 0 335.455 3.280 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2ccccc2C(F)(F)F)CC1 ZINC000106126779 454681101 /nfs/dbraw/zinc/68/11/01/454681101.db2.gz KBZQGPWIUDEQBR-AWEZNQCLSA-N 2 0 344.421 3.230 10 0 EGAERP CNc1cc(N2CCC[C@@H]2C[NH2+]Cc2ccc(F)c(Cl)c2)ncn1 ZINC000162031588 454746987 /nfs/dbraw/zinc/74/69/87/454746987.db2.gz DGPPYGCHTVYRKW-CYBMUJFWSA-N 2 0 349.841 3.069 10 0 EGAERP COCCN1CCC[C@@H]1C[NH2+][C@@H](C)c1ccc(F)cc1OC(F)F ZINC000163437451 454847215 /nfs/dbraw/zinc/84/72/15/454847215.db2.gz IPAPABQIJAOBNH-GXTWGEPZSA-N 2 0 346.393 3.189 10 0 EGAERP C[C@H](c1ccccc1)[NH+]1CCC(NC(=O)c2ccc(C[NH3+])cc2)CC1 ZINC000167793286 454923869 /nfs/dbraw/zinc/92/38/69/454923869.db2.gz DHPNENKZVNUWOI-MRXNPFEDSA-N 2 0 337.467 3.101 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C[C@@H](O)c2ccccc2)CC1)c1nccs1 ZINC000179425623 455047177 /nfs/dbraw/zinc/04/71/77/455047177.db2.gz OITKHJBRSZBBKR-MAUKXSAKSA-N 2 0 345.512 3.239 10 0 EGAERP CC(C)CCn1cccc1C[N@H+](C)CC1CC[NH+](C[C@H](C)O)CC1 ZINC000179518412 455055506 /nfs/dbraw/zinc/05/55/06/455055506.db2.gz SVGWBAILDLJBRC-SFHVURJKSA-N 2 0 335.536 3.059 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCCSC2)CC1 ZINC000152442098 455119558 /nfs/dbraw/zinc/11/95/58/455119558.db2.gz KRUWDMPQINHJKP-SFHVURJKSA-N 2 0 333.545 3.204 10 0 EGAERP C[C@H]([NH2+]CCN1CCCC[C@@H]1C)c1ccc(OCC[NH+](C)C)cc1 ZINC000156599765 455137018 /nfs/dbraw/zinc/13/70/18/455137018.db2.gz CDEVSQYGTGHRSV-ROUUACIJSA-N 2 0 333.520 3.152 10 0 EGAERP C[NH+](C)C1CCN(CC[NH2+][C@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180142467 455139412 /nfs/dbraw/zinc/13/94/12/455139412.db2.gz KUEWHEXDQKXDHB-IBGZPJMESA-N 2 0 335.923 3.407 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2cc(F)ccc2F)[C@H](C)C1 ZINC000157222297 455174578 /nfs/dbraw/zinc/17/45/78/455174578.db2.gz VGYAZGOETIEMGJ-DNVCBOLYSA-N 2 0 340.458 3.234 10 0 EGAERP C[C@@H](CCn1cccn1)[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000157517868 455203412 /nfs/dbraw/zinc/20/34/12/455203412.db2.gz QBFXTFRZDDUHPC-SFHVURJKSA-N 2 0 326.488 3.437 10 0 EGAERP C[NH+](CCCCC[N@@H+](C)C[C@@H]1CCCCO1)C[C@@H]1CCCCO1 ZINC000157628773 455214388 /nfs/dbraw/zinc/21/43/88/455214388.db2.gz GCZRWGMJRLVAFC-OALUTQOASA-N 2 0 326.525 3.159 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3C)cn2)CC1 ZINC000159004739 455345096 /nfs/dbraw/zinc/34/50/96/455345096.db2.gz FNTNDJIIIRBNHV-SFHVURJKSA-N 2 0 338.499 3.383 10 0 EGAERP CCC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccccn1 ZINC000159232754 455363584 /nfs/dbraw/zinc/36/35/84/455363584.db2.gz KWGPGPCFEBMKLX-IBGZPJMESA-N 2 0 344.547 3.463 10 0 EGAERP C[C@H](N[C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)C(=O)NC(C)(C)C ZINC000245718818 455364554 /nfs/dbraw/zinc/36/45/54/455364554.db2.gz OLNOIBMFDIAPQZ-DSLXNQLJSA-N 2 0 343.515 3.075 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OCC(F)F)cc2)[C@@H](C)C1 ZINC000245764080 455374771 /nfs/dbraw/zinc/37/47/71/455374771.db2.gz QIIGHZROBPETGM-WMLDXEAASA-N 2 0 326.431 3.493 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](C[C@H](O)CCc3ccccc3)C2)n1 ZINC000182402635 455507180 /nfs/dbraw/zinc/50/71/80/455507180.db2.gz DHYFKGHBHKNWLX-WOJBJXKFSA-N 2 0 339.483 3.118 10 0 EGAERP CCC[N@@H+]1CC[C@H](C[NH2+][C@H](C)c2ccc(OC)c(NC(C)=O)c2)C1 ZINC000247017877 455544213 /nfs/dbraw/zinc/54/42/13/455544213.db2.gz LPNUJNBHVFWLJM-GDBMZVCRSA-N 2 0 333.476 3.036 10 0 EGAERP CCc1nccn1[C@@H]1CCC[N@H+](C[C@@H](O)c2ccc(Cl)cc2)C1 ZINC000247388428 455594052 /nfs/dbraw/zinc/59/40/52/455594052.db2.gz WTZNPIIOWAYAAE-IAGOWNOFSA-N 2 0 333.863 3.469 10 0 EGAERP Cc1c([C@H](C)[NH2+]CCCC[NH+](C)C)nnn1-c1ccc(Cl)cc1 ZINC000269042616 455773583 /nfs/dbraw/zinc/77/35/83/455773583.db2.gz UIDDSZGCEBAORO-ZDUSSCGKSA-N 2 0 335.883 3.222 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@@H](CO)c1ccccc1 ZINC000269103900 455790004 /nfs/dbraw/zinc/79/00/04/455790004.db2.gz USDBAGXGVKUSDJ-BVYCBKJFSA-N 2 0 338.495 3.263 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@H]1C ZINC000252696156 455829098 /nfs/dbraw/zinc/82/90/98/455829098.db2.gz MYPXKOLKLMRJMX-HOJAQTOUSA-N 2 0 333.520 3.069 10 0 EGAERP CN(CC(=O)Nc1c(Cl)cccc1Cl)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261954742 455977248 /nfs/dbraw/zinc/97/72/48/455977248.db2.gz NTKZYUKWLQPNHS-FOSCPWQOSA-N 2 0 342.270 3.147 10 0 EGAERP C[NH2+]CCC1CC[NH+](Cc2ncc(-c3ccc(OC)cc3)o2)CC1 ZINC000261981497 455981707 /nfs/dbraw/zinc/98/17/07/455981707.db2.gz ICWJGOGLRSUJNI-UHFFFAOYSA-N 2 0 329.444 3.172 10 0 EGAERP C[C@H]([NH2+]C[C@H](CO)c1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000272572610 455998957 /nfs/dbraw/zinc/99/89/57/455998957.db2.gz IODFXVFSXAKRGI-YUXAGFNASA-N 2 0 338.495 3.263 10 0 EGAERP CCc1nnc(CN[C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174875 456201398 /nfs/dbraw/zinc/20/13/98/456201398.db2.gz PKAOBSBATSBUAB-HOCLYGCPSA-N 2 0 330.501 3.101 10 0 EGAERP COc1ccc2oc(C[NH2+][C@H]3CCO[C@@H](c4cncn4C)C3)cc2c1 ZINC000275498245 456275859 /nfs/dbraw/zinc/27/58/59/456275859.db2.gz JMJKRAGJQOFCJT-IFXJQAMLSA-N 2 0 341.411 3.185 10 0 EGAERP COCCC[C@@H]([NH2+]C[C@H]1CCc2nccn2C1)c1ccc(F)cc1 ZINC000282114748 456415940 /nfs/dbraw/zinc/41/59/40/456415940.db2.gz ALRYIZPHLXERLQ-CRAIPNDOSA-N 2 0 331.435 3.342 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C[NH+]2CCC(C)CC2)c1 ZINC000340477921 456485036 /nfs/dbraw/zinc/48/50/36/456485036.db2.gz XOJXWGGHRVCDCP-FQEVSTJZSA-N 2 0 341.503 3.078 10 0 EGAERP CC[C@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCCCCC2)cc1 ZINC000340465338 456476479 /nfs/dbraw/zinc/47/64/79/456476479.db2.gz IUAHSFTZVCEEDE-HXUWFJFHSA-N 2 0 341.503 3.223 10 0 EGAERP Cc1cn2cc(NC(=O)N[C@@H]3CC[N@@H+](C)[C@H]3c3ccccc3)ccc2n1 ZINC000276476313 456493641 /nfs/dbraw/zinc/49/36/41/456493641.db2.gz ZNOZGEWENBYOPD-MJGOQNOKSA-N 2 0 349.438 3.210 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCCc2nn(C)cc21)c1ccc(OCC[NH+](C)C)cc1 ZINC000282496599 456531891 /nfs/dbraw/zinc/53/18/91/456531891.db2.gz RLPLHERXDRBMFD-BEFAXECRSA-N 2 0 342.487 3.089 10 0 EGAERP C[NH+]1CCC(C[NH2+]C[C@H]2C[C@@H]2c2ccccc2)(N2CCCCC2)CC1 ZINC000348258111 456576104 /nfs/dbraw/zinc/57/61/04/456576104.db2.gz KCAOMVMNRRCJJZ-NHCUHLMSSA-N 2 0 341.543 3.330 10 0 EGAERP COC[C@@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658319733 462476401 /nfs/dbraw/zinc/47/64/01/462476401.db2.gz HMBVQOYQFVIFQO-VQTJNVASSA-N 2 0 328.500 3.303 10 0 EGAERP OC1CC[NH+](Cc2ccccc2C[NH2+][C@@H]2CC[C@@H]2C2CCC2)CC1 ZINC000337984124 456638389 /nfs/dbraw/zinc/63/83/89/456638389.db2.gz ATENYSAMIGOVAU-NHCUHLMSSA-N 2 0 328.500 3.312 10 0 EGAERP COc1cc2cc[nH+]c(NC3C[C@H]4CC[C@@H](C3)[N@H+]4C)c2cc1OC ZINC000322868015 456651181 /nfs/dbraw/zinc/65/11/81/456651181.db2.gz XEWIPUZGXXIYQC-GOOCMWNKSA-N 2 0 327.428 3.289 10 0 EGAERP CN(C)c1ccc(N[C@@H]2CCC[N@H+](Cc3ccncc3)CC2)cn1 ZINC000328622915 456722502 /nfs/dbraw/zinc/72/25/02/456722502.db2.gz BPMQILDVCGUYCC-QGZVFWFLSA-N 2 0 325.460 3.009 10 0 EGAERP Fc1cccc(CC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1F ZINC000343593289 456730517 /nfs/dbraw/zinc/73/05/17/456730517.db2.gz APNLJVMNQVOOCI-UHFFFAOYSA-N 2 0 338.442 3.084 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199462 456734981 /nfs/dbraw/zinc/73/49/81/456734981.db2.gz LGAVMFXACUJPQP-LZQZEXGQSA-N 2 0 330.472 3.100 10 0 EGAERP CC[NH+](CC)CC1CCN(Cc2ncc(Br)s2)CC1 ZINC000340926054 456765958 /nfs/dbraw/zinc/76/59/58/456765958.db2.gz VWWCEBMPBDNEHT-UHFFFAOYSA-N 2 0 346.338 3.459 10 0 EGAERP C[C@@H]([NH2+]C1CC[NH+](C[C@@H]2CCOC2)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000283493534 456791489 /nfs/dbraw/zinc/79/14/89/456791489.db2.gz YFVARMSRDZCOCV-SEONNTABSA-N 2 0 328.500 3.269 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000341068199 456814643 /nfs/dbraw/zinc/81/46/43/456814643.db2.gz YUEFINMVKXRLEV-HDICACEKSA-N 2 0 343.515 3.275 10 0 EGAERP CSC1(C[NH2+][C@H](C)c2cnn(C3CCCC3)c2)CC[NH+](C)CC1 ZINC000353664342 456841792 /nfs/dbraw/zinc/84/17/92/456841792.db2.gz WQCGGBKFNLSOGS-OAHLLOKOSA-N 2 0 336.549 3.476 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cnc(CC(C)C)s2)C1 ZINC000354085314 457052398 /nfs/dbraw/zinc/05/23/98/457052398.db2.gz VRKYDRNLJYRANI-MRXNPFEDSA-N 2 0 339.549 3.274 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H](C)c1cc2ccccc2o1)C(=O)NCC[NH+](C)C ZINC000347212181 457291357 /nfs/dbraw/zinc/29/13/57/457291357.db2.gz VFNXDYKOWAJITJ-WBVHZDCISA-N 2 0 345.487 3.176 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1ccsc1 ZINC000397494355 457488347 /nfs/dbraw/zinc/48/83/47/457488347.db2.gz ACJXJNGBRQOCEZ-MRXNPFEDSA-N 2 0 330.497 3.426 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](CC[C@@H]2CCCCO2)CC1 ZINC000347538895 457494323 /nfs/dbraw/zinc/49/43/23/457494323.db2.gz KMGRSHCQGVYPBK-IBGZPJMESA-N 2 0 326.525 3.016 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000400912826 457520526 /nfs/dbraw/zinc/52/05/26/457520526.db2.gz CCAXNWGTZVDHCD-DUFGSWQCSA-N 2 0 337.305 3.358 10 0 EGAERP C[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)[C@H]1CC[NH3+] ZINC000404440994 457544659 /nfs/dbraw/zinc/54/46/59/457544659.db2.gz URYSSDKSTNDVSL-KGLIPLIRSA-N 2 0 334.489 3.180 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)Cc1ccc(Br)cc1F)C[NH+](C)C ZINC000425940671 457656243 /nfs/dbraw/zinc/65/62/43/457656243.db2.gz AGQFVOGNAPJKGY-RYUDHWBXSA-N 2 0 331.273 3.307 10 0 EGAERP C[NH+](C)CCc1ccccc1NC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000443382359 457755695 /nfs/dbraw/zinc/75/56/95/457755695.db2.gz RLQYEORYWQDSTG-UHFFFAOYSA-N 2 0 346.519 3.177 10 0 EGAERP C[N@H+](CCc1ccccn1)[C@@H]1CCC[NH+](CCc2ccccn2)CC1 ZINC000411402351 457874528 /nfs/dbraw/zinc/87/45/28/457874528.db2.gz PSPOUOWOGDRGTM-OAQYLSRUSA-N 2 0 338.499 3.048 10 0 EGAERP Cc1ccsc1[C@@H](CO)[NH2+][C@@H](C)c1ccc(OCC[NH+](C)C)cc1 ZINC000358407291 457984621 /nfs/dbraw/zinc/98/46/21/457984621.db2.gz TZXOQYJIHIRXSG-MAUKXSAKSA-N 2 0 348.512 3.381 10 0 EGAERP CC1=C[C@@H](C)C[C@H](C[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000368106993 458012381 /nfs/dbraw/zinc/01/23/81/458012381.db2.gz CIINZDDAYGRKHJ-BJAXAZRTSA-N 2 0 331.548 3.222 10 0 EGAERP C[C@@H](c1ccc2c(c1)CCC2)[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1 ZINC000445259857 458033628 /nfs/dbraw/zinc/03/36/28/458033628.db2.gz JALIACWWOGXELR-AVRDEDQJSA-N 2 0 341.543 3.338 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2nc(C(F)(F)F)cs2)[C@@H]2CCC[C@@H]21 ZINC000375836119 458087660 /nfs/dbraw/zinc/08/76/60/458087660.db2.gz BCLRLPAUIXREGX-SRVKXCTJSA-N 2 0 333.423 3.167 10 0 EGAERP Cc1cc(CC[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)on1 ZINC000376113325 458199693 /nfs/dbraw/zinc/19/96/93/458199693.db2.gz HSEDJLMODTUMHQ-LDLYASANSA-N 2 0 325.456 3.311 10 0 EGAERP CCC[C@@]1(COC)CCC[N@@H+]1Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000447057378 458258183 /nfs/dbraw/zinc/25/81/83/458258183.db2.gz CRWFYXGYWGWCBZ-IBGZPJMESA-N 2 0 328.460 3.357 10 0 EGAERP C[C@@H](C(=O)Nc1cccc2c1OCC[C@@H]2[NH+](C)C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000447723326 458333673 /nfs/dbraw/zinc/33/36/73/458333673.db2.gz OIGSJHIBSCUMQQ-KRXQYRFLSA-N 2 0 345.487 3.272 10 0 EGAERP CCN(C(=O)c1coc(C[NH3+])c1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000372904896 458345379 /nfs/dbraw/zinc/34/53/79/458345379.db2.gz LGZXEKYNSJGAJR-CRAIPNDOSA-N 2 0 341.455 3.036 10 0 EGAERP COCCC[C@H](N[C@H](C)[C@H](C)[NH3+])c1ccc(Br)cc1 ZINC000423453490 458435492 /nfs/dbraw/zinc/43/54/92/458435492.db2.gz XSOJJVNIQNINPF-ZOWXZIJZSA-N 2 0 329.282 3.242 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC(NCc3ccc4c[nH+]cn4c3)CC2)C1 ZINC000459663287 458439994 /nfs/dbraw/zinc/43/99/94/458439994.db2.gz WTVWMGNUIKHCSQ-QFBILLFUSA-N 2 0 326.488 3.467 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cc2c(s1)CCC2 ZINC000423501003 458444993 /nfs/dbraw/zinc/44/49/93/458444993.db2.gz CLCAPDBHTVLILR-ODIFPOPNSA-N 2 0 333.545 3.104 10 0 EGAERP [NH3+]C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3c2ccc(F)c3Br)C1 ZINC000423507994 458445868 /nfs/dbraw/zinc/44/58/68/458445868.db2.gz NGWHXQCIFINBFP-ISTVAULSSA-N 2 0 327.241 3.293 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)CCC2 ZINC000423521243 458450371 /nfs/dbraw/zinc/45/03/71/458450371.db2.gz SJKKRDCHJXBHGX-YMTQGWHGSA-N 2 0 327.516 3.042 10 0 EGAERP CCN(CCCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000431632311 458598764 /nfs/dbraw/zinc/59/87/64/458598764.db2.gz XBRPPSVMSBKMFS-SFHVURJKSA-N 2 0 331.504 3.284 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCCC[N@@H+]1C)[NH+]1CCC(C)CC1 ZINC000431896893 458642506 /nfs/dbraw/zinc/64/25/06/458642506.db2.gz VBOUZWLPPPAOHD-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH2+]C34CCC4)[C@@H]3CCC[C@H]32)cc1 ZINC000530217229 458720356 /nfs/dbraw/zinc/72/03/56/458720356.db2.gz SJNRGUQCOSCOSF-UWHLTILDSA-N 2 0 339.527 3.304 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1C[C@H](OC(C)C)C1(C)C ZINC000547331836 458720747 /nfs/dbraw/zinc/72/07/47/458720747.db2.gz GNDOHCCJUYKZLY-ROUUACIJSA-N 2 0 328.460 3.257 10 0 EGAERP C[C@H]1CCCC[N@@H+]1Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2(C)C)cc1 ZINC000494925760 458765935 /nfs/dbraw/zinc/76/59/35/458765935.db2.gz YTMXSMIGDUPION-QFBILLFUSA-N 2 0 343.515 3.208 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000556199030 458936673 /nfs/dbraw/zinc/93/66/73/458936673.db2.gz ZQTGHVAGGFNUSZ-OAHLLOKOSA-N 2 0 330.394 3.448 10 0 EGAERP C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccccc1C[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000531682938 458959260 /nfs/dbraw/zinc/95/92/60/458959260.db2.gz KLINKZLOOSXYJR-NYUBLWNDSA-N 2 0 329.532 3.204 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)c1 ZINC000566735736 458991511 /nfs/dbraw/zinc/99/15/11/458991511.db2.gz OFSDRGKONOZVLQ-HEHJNJEBSA-N 2 0 341.499 3.442 10 0 EGAERP CC[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccccc1 ZINC000567794987 459168348 /nfs/dbraw/zinc/16/83/48/459168348.db2.gz SFTPCROAMWISBD-VMSMKEMKSA-N 2 0 341.543 3.423 10 0 EGAERP C[C@@H](CSCCF)[NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1 ZINC000595043179 459226888 /nfs/dbraw/zinc/22/68/88/459226888.db2.gz IPZBJASBDUJCHR-HNNXBMFYSA-N 2 0 340.508 3.340 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000560144956 459305182 /nfs/dbraw/zinc/30/51/82/459305182.db2.gz GDPKTJYEHAKPEO-CTNGQTDRSA-N 2 0 343.559 3.402 10 0 EGAERP COc1cc(C[NH+]2CCC(C[N@H+](C)C(C)C)CC2)cc2c1OCCO2 ZINC000534347265 459320882 /nfs/dbraw/zinc/32/08/82/459320882.db2.gz LOJKEGZTHGBMCA-UHFFFAOYSA-N 2 0 348.487 3.019 10 0 EGAERP CC(C)(C)OC(=O)[C@H](C[NH2+]C1CC[NH+](CC2CC2)CC1)C1CCC1 ZINC000596117816 459527097 /nfs/dbraw/zinc/52/70/97/459527097.db2.gz JSHGMUCNKHDWKH-GOSISDBHSA-N 2 0 336.520 3.208 10 0 EGAERP Fc1cc(Br)cnc1CNC1CC[NH+](C2CCC2)CC1 ZINC000527648189 459684104 /nfs/dbraw/zinc/68/41/04/459684104.db2.gz FCTAEIQJNJHXES-UHFFFAOYSA-N 2 0 342.256 3.090 10 0 EGAERP COC(=O)c1cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@@H]3C)C2)c(C)o1 ZINC000609613902 459994647 /nfs/dbraw/zinc/99/46/47/459994647.db2.gz PYQIRRRWGAKXIW-DOTOQJQBSA-N 2 0 348.487 3.461 10 0 EGAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC23CC3)c1 ZINC000575935761 460037934 /nfs/dbraw/zinc/03/79/34/460037934.db2.gz CSMRQIIRRUQDFU-LJQANCHMSA-N 2 0 332.488 3.066 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+](CCOC2CCOCC2)CC1 ZINC000625224273 460080019 /nfs/dbraw/zinc/08/00/19/460080019.db2.gz SAIHMSUNTDGWDL-GOSISDBHSA-N 2 0 338.536 3.159 10 0 EGAERP c1sc(Cc2ccccc2)nc1C[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000576826089 460221058 /nfs/dbraw/zinc/22/10/58/460221058.db2.gz HOGHLAHJENJGRI-CALCHBBNSA-N 2 0 327.497 3.165 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc3cccnc3c2)[C@H](C)C1 ZINC000604418241 460424356 /nfs/dbraw/zinc/42/43/56/460424356.db2.gz NKEDSBHNQSONHD-XLIONFOSSA-N 2 0 341.499 3.461 10 0 EGAERP COc1cccc([C@@H](CN[C@@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)c1 ZINC000623338129 460495397 /nfs/dbraw/zinc/49/53/97/460495397.db2.gz MIKXSOZIMFAMDP-UYAOXDASSA-N 2 0 345.531 3.295 10 0 EGAERP COc1ccccc1[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCCC1 ZINC000623337409 460496860 /nfs/dbraw/zinc/49/68/60/460496860.db2.gz JBZZKNURCOIHQE-HKUYNNGSSA-N 2 0 345.531 3.295 10 0 EGAERP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(OC[C@@H]3CCCO3)cc2)C1 ZINC000634732959 460497859 /nfs/dbraw/zinc/49/78/59/460497859.db2.gz SLBRSBTXAUDBLG-MJGOQNOKSA-N 2 0 332.488 3.112 10 0 EGAERP CN(C)[C@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1c(F)cccc1F ZINC000623420919 460539745 /nfs/dbraw/zinc/53/97/45/460539745.db2.gz SKXJATKAVMAWQM-XJKSGUPXSA-N 2 0 325.447 3.030 10 0 EGAERP Cc1csc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)n1 ZINC000623899900 460767803 /nfs/dbraw/zinc/76/78/03/460767803.db2.gz XECLNIGXNFSARY-MRXNPFEDSA-N 2 0 336.549 3.052 10 0 EGAERP C(c1nc(C2CCCCC2)no1)C1CC[NH+](CC2CC[NH2+]CC2)CC1 ZINC000629496206 460779355 /nfs/dbraw/zinc/77/93/55/460779355.db2.gz NFHUYXGNAIWZQI-UHFFFAOYSA-N 2 0 346.519 3.371 10 0 EGAERP [NH3+][C@@H]1CCC[C@@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519928 460793198 /nfs/dbraw/zinc/79/31/98/460793198.db2.gz SGMPNFVURUMUPW-OPYAIIAOSA-N 2 0 349.478 3.243 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](Cc1ccc(Cl)cc1)c1ccccc1 ZINC000629529325 460798357 /nfs/dbraw/zinc/79/83/57/460798357.db2.gz ZORRJVFFIHZLFJ-LJQANCHMSA-N 2 0 332.875 3.449 10 0 EGAERP C[C@H]([NH2+]CCOCCC[NH3+])[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000629538683 460801148 /nfs/dbraw/zinc/80/11/48/460801148.db2.gz MTVJIGQEFWSFCJ-RYUDHWBXSA-N 2 0 335.275 3.104 10 0 EGAERP C[C@H]1CCC[N@@H+]1Cc1cccc(-c2ccc(N3CC[NH2+]CC3)nc2)c1 ZINC000629702351 460875626 /nfs/dbraw/zinc/87/56/26/460875626.db2.gz LXYSSUSYLMLGDW-KRWDZBQOSA-N 2 0 336.483 3.143 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2ccc(OC)c(OC3CC3)c2)[C@@H](C)C1 ZINC000628182659 461036362 /nfs/dbraw/zinc/03/63/62/461036362.db2.gz CPROKZJPSDQRKG-MAUKXSAKSA-N 2 0 332.488 3.399 10 0 EGAERP OCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@H]1CCCc2ccccc21 ZINC000662254787 461144903 /nfs/dbraw/zinc/14/49/03/461144903.db2.gz LUUBXEWTTSQATL-QFIPXVFZSA-N 2 0 336.479 3.204 10 0 EGAERP Cc1cccc(C)c1OCCC[N@@H+]1CCCC[C@@H]1[C@H]1C[C@@H]([NH3+])CCO1 ZINC000652362734 461154650 /nfs/dbraw/zinc/15/46/50/461154650.db2.gz NQYOURAHMUFFLA-XUVXKRRUSA-N 2 0 346.515 3.433 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCCC[N@@H+]2CCOc2ccccc2Cl)C1 ZINC000652360357 461154754 /nfs/dbraw/zinc/15/47/54/461154754.db2.gz FYUFYSUOEDEEPH-UWWQBHOKSA-N 2 0 338.879 3.080 10 0 EGAERP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCSc2ccc(F)cc2)CC1 ZINC000662279532 461162990 /nfs/dbraw/zinc/16/29/90/461162990.db2.gz AAHZMUCANQRAHX-ROUUACIJSA-N 2 0 338.492 3.136 10 0 EGAERP Cc1cc(C)cc(NC(=O)[C@@H](C)[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293032 461170227 /nfs/dbraw/zinc/17/02/27/461170227.db2.gz IRLKLMFQBYPWLQ-MJGOQNOKSA-N 2 0 343.515 3.342 10 0 EGAERP CC(C)O[C@H](C[N@@H+]1CCO[C@H](CCC[NH+](C)C)C1)c1ccccc1 ZINC000662324804 461193379 /nfs/dbraw/zinc/19/33/79/461193379.db2.gz YBFIFTFZMTWHDX-WOJBJXKFSA-N 2 0 334.504 3.195 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)Nc1ccc([C@H]2C[NH2+]CCO2)cc1 ZINC000662689185 461347951 /nfs/dbraw/zinc/34/79/51/461347951.db2.gz UOVSAMXPZBDBGK-LJQANCHMSA-N 2 0 347.503 3.188 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000668619636 461356025 /nfs/dbraw/zinc/35/60/25/461356025.db2.gz MZDMZCAJXJMHPN-KRWDZBQOSA-N 2 0 342.527 3.223 10 0 EGAERP C[C@@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655806204 461465115 /nfs/dbraw/zinc/46/51/15/461465115.db2.gz RAGHJGQWZRCRRC-FPMFFAJLSA-N 2 0 343.284 3.449 10 0 EGAERP CN(C)c1cc(Cl)cc(Cl)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655824269 461478567 /nfs/dbraw/zinc/47/85/67/461478567.db2.gz HIGIQUPYHREJMI-BJHJDKERSA-N 2 0 330.303 3.489 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631042008 461494030 /nfs/dbraw/zinc/49/40/30/461494030.db2.gz NRASVFSTUZLVRL-AWEZNQCLSA-N 2 0 335.879 3.202 10 0 EGAERP C[C@H](C[NH2+]Cc1oc2ccccc2c1Cl)CN1CC[NH+](C)CC1 ZINC000631063887 461515353 /nfs/dbraw/zinc/51/53/53/461515353.db2.gz OIGIZQWBQIYUFL-CQSZACIVSA-N 2 0 335.879 3.059 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CC[NH+](CC2(O)CCSCC2)CC1 ZINC000660006845 461541592 /nfs/dbraw/zinc/54/15/92/461541592.db2.gz VRIGJSUWXGHLTC-KRWDZBQOSA-N 2 0 340.577 3.221 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cn(C)nc2-c2ccc(C)o2)CC1 ZINC000647179596 461547577 /nfs/dbraw/zinc/54/75/77/461547577.db2.gz GHWGQQSWZQYSSW-UHFFFAOYSA-N 2 0 330.476 3.200 10 0 EGAERP CC(C)(C)[C@@H](O)C[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000663369053 461594339 /nfs/dbraw/zinc/59/43/39/461594339.db2.gz VZAGIQZZZZJICZ-MOPGFXCFSA-N 2 0 330.516 3.285 10 0 EGAERP C[C@@H]1C[N@H+](Cc2cccc(C(C)(C)C)c2)CC[C@H]1N1CC[NH+](C)CC1 ZINC000660154145 461609060 /nfs/dbraw/zinc/60/90/60/461609060.db2.gz JGBDLQBAUNVOJA-WIYYLYMNSA-N 2 0 343.559 3.442 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1C[N@H+](C)C[C@H]1c1ccccc1)c1ccc2c(c1)OCO2 ZINC000647344230 461646736 /nfs/dbraw/zinc/64/67/36/461646736.db2.gz MGIVPKYRSXNKBN-LZQZEXGQSA-N 2 0 338.451 3.411 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)cc1O ZINC000647344751 461647473 /nfs/dbraw/zinc/64/74/73/461647473.db2.gz YMPKJINWQNQZKE-IPELMVKDSA-N 2 0 340.467 3.397 10 0 EGAERP c1cc(C[NH2+]CC2([C@@H]3CCCCO3)CCC2)n(-c2cc[nH+]cc2)n1 ZINC000631245749 461671439 /nfs/dbraw/zinc/67/14/39/461671439.db2.gz VCUIDJVPMBIMBG-SFHVURJKSA-N 2 0 326.444 3.096 10 0 EGAERP Cc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663503091 461676604 /nfs/dbraw/zinc/67/66/04/461676604.db2.gz NMCLCVAVGFISGQ-UKRRQHHQSA-N 2 0 325.884 3.329 10 0 EGAERP c1ccc(C[NH+]2C[C@@H]3[C@@H](C2)[C@@H]2CC[C@H]3C[N@H+]2CC2CCOCC2)cc1 ZINC000656402093 461734859 /nfs/dbraw/zinc/73/48/59/461734859.db2.gz LRVNCTPWVLLUTL-KJJMTIBFSA-N 2 0 340.511 3.255 10 0 EGAERP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000647550484 461763176 /nfs/dbraw/zinc/76/31/76/461763176.db2.gz SMRLYDWYBWATTF-YWPYICTPSA-N 2 0 327.241 3.066 10 0 EGAERP Fc1ccc(Oc2ccc(C[NH2+][C@@H]3CC[C@@H]4C[NH2+]C[C@H]4C3)cn2)cc1 ZINC000647789526 461835738 /nfs/dbraw/zinc/83/57/38/461835738.db2.gz GYGVECWQADDCRL-JFIYKMOQSA-N 2 0 341.430 3.491 10 0 EGAERP COc1cc(C[NH2+]CCC2(C[NH3+])CC2)ccc1OCc1ccccc1 ZINC000650713153 461907037 /nfs/dbraw/zinc/90/70/37/461907037.db2.gz HMALRWNFWVSUSY-UHFFFAOYSA-N 2 0 340.467 3.493 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2cc(Br)ccc2OC(F)F)CC1 ZINC000650713070 461907185 /nfs/dbraw/zinc/90/71/85/461907185.db2.gz DELDLNZEAWHQRM-UHFFFAOYSA-N 2 0 349.219 3.269 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cnn(Cc2ccc(F)cc2)c1 ZINC000650720512 461912505 /nfs/dbraw/zinc/91/25/05/461912505.db2.gz RNHYBKUUSXRHKP-UHFFFAOYSA-N 2 0 338.430 3.080 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1ccc(-c2cnn(C)c2)s1 ZINC000650720718 461912807 /nfs/dbraw/zinc/91/28/07/461912807.db2.gz ZKKIWPPLVMUGED-UHFFFAOYSA-N 2 0 326.469 3.158 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CCC([N@@H+]4CCCOCC4)CC3)c2c1 ZINC000664011860 461913007 /nfs/dbraw/zinc/91/30/07/461913007.db2.gz UGICVVDGZBPGIQ-UHFFFAOYSA-N 2 0 325.456 3.234 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cnc(C3CCC3)s2)C1 ZINC000650724080 461916845 /nfs/dbraw/zinc/91/68/45/461916845.db2.gz YBUYNMXRXPUXHK-PVAVHDDUSA-N 2 0 335.517 3.271 10 0 EGAERP c1nc([C@H]2CCC[N@@H+](CCCC3CC[NH2+]CC3)C2)n2c1CCCC2 ZINC000647991497 461927306 /nfs/dbraw/zinc/92/73/06/461927306.db2.gz CLOBTPDVEOBACW-SFHVURJKSA-N 2 0 330.520 3.179 10 0 EGAERP COc1ccc([C@H](NCCC[N@H+](C)CC(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000650739914 461928023 /nfs/dbraw/zinc/92/80/23/461928023.db2.gz BNCYDXMQPPSXDN-PMACEKPBSA-N 2 0 333.520 3.056 10 0 EGAERP CCCOCc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657315092 462039703 /nfs/dbraw/zinc/03/97/03/462039703.db2.gz JYGAJIDVKZILKU-UHFFFAOYSA-N 2 0 336.439 3.484 10 0 EGAERP Cc1ccc2cc(C[NH2+]C3CCN(C4CC[NH+](C)CC4)CC3)[nH]c2c1 ZINC000657337889 462056418 /nfs/dbraw/zinc/05/64/18/462056418.db2.gz KQKOOFNATPBBHF-UHFFFAOYSA-N 2 0 340.515 3.125 10 0 EGAERP C[C@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)[C@H]1Oc2ccccc2[C@H]1C ZINC000657391220 462092471 /nfs/dbraw/zinc/09/24/71/462092471.db2.gz JNIKNZIJBWJWIE-SIFCLUCFSA-N 2 0 334.423 3.310 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCOC[C@@H]2CCOC2)CC1 ZINC000648444709 462121192 /nfs/dbraw/zinc/12/11/92/462121192.db2.gz AWJHKGIUXAUUQT-QGZVFWFLSA-N 2 0 340.552 3.308 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@@H]2CC[N@H+](CC3CC3)C2)CC1 ZINC000648450087 462123527 /nfs/dbraw/zinc/12/35/27/462123527.db2.gz RSPYYFLYDREVNU-XMSQKQJNSA-N 2 0 341.543 3.156 10 0 EGAERP COc1ccc2c(c1)CCC[C@H]2C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657438107 462124346 /nfs/dbraw/zinc/12/43/46/462124346.db2.gz VDGVXTICHQYXBI-KRWDZBQOSA-N 2 0 348.450 3.486 10 0 EGAERP C[C@H](C[C@H]1CCOC1)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000648479107 462138426 /nfs/dbraw/zinc/13/84/26/462138426.db2.gz VWWATGMNTQVZLO-WSTZPKSXSA-N 2 0 330.516 3.487 10 0 EGAERP CC[N@H+](CCCNCc1ccnn1-c1cc[nH+]cc1)C1CCCCC1 ZINC000657499755 462157802 /nfs/dbraw/zinc/15/78/02/462157802.db2.gz CRPMYRJCFZAZGZ-UHFFFAOYSA-N 2 0 341.503 3.402 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C/C=C/c3ccc(F)cc3)cc2)C1 ZINC000657595405 462197107 /nfs/dbraw/zinc/19/71/07/462197107.db2.gz ICXOSTMXHUAPDS-WODVNSBQSA-N 2 0 340.442 3.195 10 0 EGAERP C[C@H](Cc1ccc(F)cc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000657597683 462199534 /nfs/dbraw/zinc/19/95/34/462199534.db2.gz WLGZZXYWYWNLBT-IIBYNOLFSA-N 2 0 342.458 3.113 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@]2(C)CC2(F)F)CC1 ZINC000657666006 462221295 /nfs/dbraw/zinc/22/12/95/462221295.db2.gz RHKYAPPYYMIWOG-INIZCTEOSA-N 2 0 343.849 3.227 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000648814388 462288942 /nfs/dbraw/zinc/28/89/42/462288942.db2.gz XTIJTJXXTYXNQN-OAQYLSRUSA-N 2 0 344.499 3.164 10 0 EGAERP C[N@@H+]1CCN(CCC[NH2+][C@@H]2CCCSCC2)[C@@H](c2ccccc2)C1 ZINC000657834619 462289502 /nfs/dbraw/zinc/28/95/02/462289502.db2.gz LTPQGKFFVFRBIS-WOJBJXKFSA-N 2 0 347.572 3.241 10 0 EGAERP CC[C@]1(C)CCC[C@H]1[NH2+]Cc1cccc(C(=O)NCC[NH+](C)C)c1 ZINC000651699114 462307948 /nfs/dbraw/zinc/30/79/48/462307948.db2.gz HMTJNUWAKKOUJR-UYAOXDASSA-N 2 0 331.504 3.036 10 0 EGAERP C[C@@H]([NH2+]CCCC[NH+]1C[C@@H](C)O[C@H](C)C1)c1cc2cnccc2o1 ZINC000657919962 462318596 /nfs/dbraw/zinc/31/85/96/462318596.db2.gz SKGDMMGWDBQBLY-BZUAXINKSA-N 2 0 331.460 3.368 10 0 EGAERP CCc1cccc(CC)c1NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000665176419 462339927 /nfs/dbraw/zinc/33/99/27/462339927.db2.gz OPQOUIQBWQFNNM-INIZCTEOSA-N 2 0 348.535 3.205 10 0 EGAERP C[C@H]([NH2+]C[C@H]1CCN1C(C)(C)C)c1ccc(OCC[NH+](C)C)cc1 ZINC000658057167 462361009 /nfs/dbraw/zinc/36/10/09/462361009.db2.gz NODVTNJUFBGGDQ-FUHWJXTLSA-N 2 0 333.520 3.150 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(Cl)cn1 ZINC000658071094 462367651 /nfs/dbraw/zinc/36/76/51/462367651.db2.gz UEPDYYXCOYRHCS-AWEZNQCLSA-N 2 0 337.895 3.277 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277227 462380706 /nfs/dbraw/zinc/38/07/06/462380706.db2.gz XAODXVIMWVOBQF-PCCBWWKXSA-N 3 0 341.543 3.396 10 0 EGAERP C[C@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@@H]1CCC[NH2+]1 ZINC000665277343 462381519 /nfs/dbraw/zinc/38/15/19/462381519.db2.gz ZHHUWMQJGAIVRC-SXLOBPIMSA-N 2 0 327.516 3.019 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000665281289 462383484 /nfs/dbraw/zinc/38/34/84/462383484.db2.gz ZFIFGQVZGIWKND-SMDDNHRTSA-N 2 0 329.282 3.482 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@@H](C)c3ccccc32)CC1 ZINC000665285745 462384435 /nfs/dbraw/zinc/38/44/35/462384435.db2.gz VPLOMOICLDGSJS-UZLBHIALSA-N 2 0 343.515 3.205 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000665289714 462387638 /nfs/dbraw/zinc/38/76/38/462387638.db2.gz VLLONPWSNWWTSA-YOEHRIQHSA-N 2 0 349.544 3.267 10 0 EGAERP Cc1ccncc1CC[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000658127109 462396388 /nfs/dbraw/zinc/39/63/88/462396388.db2.gz RJDLEEIFXSCXDI-KRWDZBQOSA-N 2 0 327.472 3.224 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1)c1cccnc1 ZINC000658138789 462402657 /nfs/dbraw/zinc/40/26/57/462402657.db2.gz OFASBYYHRNACEZ-NHCUHLMSSA-N 2 0 339.483 3.135 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1cc(F)cc(F)c1 ZINC000658143181 462406454 /nfs/dbraw/zinc/40/64/54/462406454.db2.gz XIOABCVOYZHPQV-VLIAUNLRSA-N 2 0 346.421 3.382 10 0 EGAERP CCc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)o1 ZINC000658143612 462406982 /nfs/dbraw/zinc/40/69/82/462406982.db2.gz ZPQBQHMLBRDCTH-CRAIPNDOSA-N 2 0 328.456 3.259 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](Oc3ccccc3)C2)[C@@H](C)C1 ZINC000658192164 462424071 /nfs/dbraw/zinc/42/40/71/462424071.db2.gz ZIHQUPZJOJRLKI-JYAXBFRTSA-N 2 0 346.515 3.323 10 0 EGAERP OC1CCC(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000658285127 462456108 /nfs/dbraw/zinc/45/61/08/462456108.db2.gz JNMWDGUPRIQBLE-DTDMOOKASA-N 2 0 328.500 3.323 10 0 EGAERP C[C@@H](O)[C@@H]([NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1)c1ccccc1 ZINC000658361145 462489646 /nfs/dbraw/zinc/48/96/46/462489646.db2.gz KWTAOAPDJWMGPB-CSODHUTKSA-N 2 0 342.483 3.400 10 0 EGAERP c1cc(C[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc(COC2CCOCC2)c1 ZINC000339068066 547567931 /nfs/dbraw/zinc/56/79/31/547567931.db2.gz KBCJXOVKTKFLBK-UXHICEINSA-N 2 0 344.499 3.099 10 0 EGAERP COCC[C@@H](C)[NH+]1CCCC2(CCC[N@@H+]([C@H](C)CCOC)C2)C1 ZINC000351994857 547679191 /nfs/dbraw/zinc/67/91/91/547679191.db2.gz LPFKNHILVCMTLP-PWCSWUJKSA-N 2 0 326.525 3.014 10 0 EGAERP C[NH+](C)C1CCC([NH2+]Cc2ccnn2CCc2ccccc2)CC1 ZINC000671750378 548352326 /nfs/dbraw/zinc/35/23/26/548352326.db2.gz ZYGFNKYRTYPITP-UHFFFAOYSA-N 2 0 326.488 3.088 10 0 EGAERP CC1CC[NH+](CCN2CC[N@H+](Cc3ccccc3)CC[C@H]2C)CC1 ZINC000676086193 549035672 /nfs/dbraw/zinc/03/56/72/549035672.db2.gz UTNPEOLZMREMOD-HXUWFJFHSA-N 2 0 329.532 3.315 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]CCCC1CCOCC1 ZINC000680948441 549932356 /nfs/dbraw/zinc/93/23/56/549932356.db2.gz KTHXCRCETHJPJA-UHFFFAOYSA-N 2 0 346.515 3.458 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H]3CC[C@H](c4ccccc4)C3)C2)CC1 ZINC000681976532 550056946 /nfs/dbraw/zinc/05/69/46/550056946.db2.gz XMJSASCVDPEZQK-ZCNNSNEGSA-N 2 0 327.516 3.081 10 0 EGAERP C[C@@H]([NH2+]CCN1CCc2c(Cl)cccc2C1)C1CC[NH+](C)CC1 ZINC000682376367 550091054 /nfs/dbraw/zinc/09/10/54/550091054.db2.gz FJIIOKHFKWDNAQ-OAHLLOKOSA-N 2 0 335.923 3.018 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000729372464 574847540 /nfs/dbraw/zinc/84/75/40/574847540.db2.gz XOWCFYPZGGVVQS-FQEVSTJZSA-N 2 0 349.563 3.367 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684730 576168714 /nfs/dbraw/zinc/16/87/14/576168714.db2.gz BDIQXGAGYDLFNY-AZUAARDMSA-N 2 0 331.479 3.035 10 0 EGAERP CC(C)(C)OC(=O)N1CCC[C@H]([NH2+]CCCC[NH+]2CCCC2)CC1 ZINC000183424644 1295119245 /nfs/dbraw/zinc/11/92/45/1295119245.db2.gz WEPUYIIXGRNUGQ-KRWDZBQOSA-N 2 0 339.524 3.242 10 0 EGAERP CC(C)N(CC[NH2+]C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000227656478 1296145410 /nfs/dbraw/zinc/14/54/10/1296145410.db2.gz GLOTVFRYRBWVNB-UHFFFAOYSA-N 2 0 327.513 3.094 10 0 EGAERP C[N@@H+](Cc1c[nH]c2ccc(Br)cc12)C[C@@H]1CCC[NH2+]C1 ZINC000234327936 1296179852 /nfs/dbraw/zinc/17/98/52/1296179852.db2.gz UVPKNLKBOOBPIA-GFCCVEGCSA-N 2 0 336.277 3.362 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[N@H+](C)C[C@@H]1CCC[NH2+]C1 ZINC000235479491 1296184469 /nfs/dbraw/zinc/18/44/69/1296184469.db2.gz VSRGUFVTDASGHC-UKRRQHHQSA-N 2 0 325.294 3.312 10 0 EGAERP FC(F)(F)COc1cccc(C[NH2+]C[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000237697048 1296258226 /nfs/dbraw/zinc/25/82/26/1296258226.db2.gz CKXZVLHHTPKBTR-CQSZACIVSA-N 2 0 328.378 3.202 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@@H]1CCCOC1 ZINC000872035797 1296685791 /nfs/dbraw/zinc/68/57/91/1296685791.db2.gz NJTXJVVIUVEZFJ-TZIWHRDSSA-N 2 0 346.515 3.456 10 0 EGAERP C[N@H+](CCCCCC[NH3+])CC(=O)Nc1cccc(Cl)c1Cl ZINC000872154796 1296774143 /nfs/dbraw/zinc/77/41/43/1296774143.db2.gz APBVJLGUGZOJHQ-UHFFFAOYSA-N 2 0 332.275 3.383 10 0 EGAERP COc1ccnc(C[N@@H+]2CCC[C@@H](C[C@H]([NH3+])C3CCCC3)C2)c1OC ZINC000872158772 1296780611 /nfs/dbraw/zinc/78/06/11/1296780611.db2.gz XQPQLSOHAGFCNE-RDJZCZTQSA-N 2 0 347.503 3.218 10 0 EGAERP C[C@@H]1C[C@@H](N(C[C@H]2CCC[NH2+]C2)C2CC2)C[N@@H+]1Cc1ccccc1 ZINC000302606014 1296803030 /nfs/dbraw/zinc/80/30/30/1296803030.db2.gz JWIXXOAWGLOJFT-SLYNCCJLSA-N 2 0 327.516 3.113 10 0 EGAERP CN(C[C@H]([NH3+])Cc1ccccc1)C1CC[NH+](Cc2ccccc2)CC1 ZINC000311016379 1297103804 /nfs/dbraw/zinc/10/38/04/1297103804.db2.gz QCPZBMQRSBXPGQ-OAQYLSRUSA-N 2 0 337.511 3.153 10 0 EGAERP C[C@@H]1C[C@H](N2CCC[C@H]([NH2+]C3CC3)C2)CC[N@@H+]1Cc1ccccc1 ZINC000379687591 1297537687 /nfs/dbraw/zinc/53/76/87/1297537687.db2.gz FHHRVCMCAGKQCG-JRGCBEDISA-N 2 0 327.516 3.256 10 0 EGAERP C[C@@H](C[NH3+])C[NH2+][C@H]1CCN(C(=O)OC(C)(C)C)C2(CCCCC2)C1 ZINC000383659131 1297573209 /nfs/dbraw/zinc/57/32/09/1297573209.db2.gz IWXXWKQPKJYGLB-HOTGVXAUSA-N 2 0 339.524 3.273 10 0 EGAERP CC(C)[NH+]1CCC([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000397489379 1297700872 /nfs/dbraw/zinc/70/08/72/1297700872.db2.gz GVQZMPJDKYBHEV-UHFFFAOYSA-N 3 0 329.532 3.361 10 0 EGAERP CCCCOC[C@H](O)C[N@H+](C)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000720040007 1298324818 /nfs/dbraw/zinc/32/48/18/1298324818.db2.gz XCFBJWZZZJRPPG-OAQYLSRUSA-N 2 0 348.531 3.008 10 0 EGAERP c1cc(N2CCC([NH2+]C[C@@H]3CCN3C3CCCCCC3)CC2)cc[nH+]1 ZINC000877733720 1299510884 /nfs/dbraw/zinc/51/08/84/1299510884.db2.gz XVFMZCLFDYNXMS-NRFANRHFSA-N 2 0 342.531 3.437 10 0 EGAERP CC[C@H](C)[C@](C)(O)C[NH2+][C@@H]1C[C@H]2C[C@@H](C1)[N@H+](Cc1ccccc1)C2 ZINC000886526093 1303487210 /nfs/dbraw/zinc/48/72/10/1303487210.db2.gz FDCDPLKFHRWVAD-JBINPLMMSA-N 2 0 330.516 3.426 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@@H+]2C[C@@H]3CCC[C@]3(C(F)(F)F)C2)CC1 ZINC000886617656 1303525464 /nfs/dbraw/zinc/52/54/64/1303525464.db2.gz VCNSTKIQDSCUIF-IRXDYDNUSA-N 2 0 347.469 3.067 10 0 EGAERP COC(=O)c1cc(C[NH2+]C2CCC(C)([NH+]3CCCC3)CC2)n(C)c1C ZINC000886651428 1303539678 /nfs/dbraw/zinc/53/96/78/1303539678.db2.gz FCZJVFGULLIPRN-UHFFFAOYSA-N 2 0 347.503 3.007 10 0 EGAERP C[C@@H](CC(=O)O[C@H](C[N@H+](C)Cc1ccccc1)C1CC1)n1ccnc1 ZINC000893696356 1306034503 /nfs/dbraw/zinc/03/45/03/1306034503.db2.gz GWMSKLNGVGDBAI-QFBILLFUSA-N 2 0 341.455 3.288 10 0 EGAERP O=c1[nH]c2ccc(C[NH+]3CCC(CCC[NH+]4CCCC4)CC3)cc2[nH]1 ZINC000894071468 1306201701 /nfs/dbraw/zinc/20/17/01/1306201701.db2.gz KVRHZEFSWOJACR-UHFFFAOYSA-N 2 0 342.487 3.357 10 0 EGAERP Cc1ccc(C2=NO[C@H](CN[C@H]3CC[N@@H+](C)C(C)(C)C3)C2)cc1C ZINC000895501641 1309375635 /nfs/dbraw/zinc/37/56/35/1309375635.db2.gz INXJYOHNIXXDQO-ROUUACIJSA-N 2 0 329.488 3.259 10 0 EGAERP c1csc(C[NH+]2CCC(C[NH2+][C@@H]3CCCc4cn[nH]c43)CC2)c1 ZINC000857851032 1328603360 /nfs/dbraw/zinc/60/33/60/1328603360.db2.gz FWAPHSIFEQATOE-QGZVFWFLSA-N 2 0 330.501 3.350 10 0 EGAERP Cc1cc(CNC[C@@H]2CC[N@@H+](C3CC3)C2)c(Br)cc1F ZINC000858095431 1328681128 /nfs/dbraw/zinc/68/11/28/1328681128.db2.gz ZQQDSVNYPPELQL-LBPRGKRZSA-N 2 0 341.268 3.471 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@@H](O)c2cc(Cl)cc(Cl)c2)CC1(C)C ZINC000858140840 1328693821 /nfs/dbraw/zinc/69/38/21/1328693821.db2.gz IIIQDNVECDGJIN-LSDHHAIUSA-N 2 0 331.287 3.489 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](NC(=O)OC(C)(C)C)C2(C)C)CC1(C)C ZINC000858180172 1328705016 /nfs/dbraw/zinc/70/50/16/1328705016.db2.gz MJMWMPJNSLWUKS-KKUMJFAQSA-N 2 0 339.524 3.141 10 0 EGAERP CS[C@@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000922235067 1322484892 /nfs/dbraw/zinc/48/48/92/1322484892.db2.gz QTXGWELGRPQVKH-SJLPKXTDSA-N 2 0 326.550 3.141 10 0 EGAERP CCCC[N@H+](C[C@H](OC)[C@H]1CCOC1)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931034351 1329034113 /nfs/dbraw/zinc/03/41/13/1329034113.db2.gz ROYAKBUCUNDAAF-WMZOPIPTSA-N 2 0 340.552 3.449 10 0 EGAERP CCO[C@H](CN[C@@H](C)c1ccc(Br)s1)C[NH+](C)C ZINC000922754653 1322610602 /nfs/dbraw/zinc/61/06/02/1322610602.db2.gz QXURUMMXNKPUIO-WDEREUQCSA-N 2 0 335.311 3.128 10 0 EGAERP c1ccc([C@@H]2C[N@@H+](C[C@H]3CC4(C[NH2+]C4)CO3)Cc3ccccc32)cc1 ZINC000923301839 1322728945 /nfs/dbraw/zinc/72/89/45/1322728945.db2.gz YUNVOPYLBNXGAD-CTNGQTDRSA-N 2 0 334.463 3.013 10 0 EGAERP CCCCCC(=O)NC1CC[NH+](CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000923311508 1322730888 /nfs/dbraw/zinc/73/08/88/1322730888.db2.gz YFVPVYIDHTWETE-JLYLLQBASA-N 2 0 335.536 3.068 10 0 EGAERP [NH3+]CC[C@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923349199 1322739236 /nfs/dbraw/zinc/73/92/36/1322739236.db2.gz QHIWIFSSNVBWOJ-UKPHBRMFSA-N 2 0 342.405 3.229 10 0 EGAERP C[C@H]1C[N@H+](Cc2cncc(OCc3ccccc3)c2)CC[C@H]1C[NH3+] ZINC000923494739 1322761624 /nfs/dbraw/zinc/76/16/24/1322761624.db2.gz NYBSHUVFLYBXHL-LPHOPBHVSA-N 2 0 325.456 3.077 10 0 EGAERP COc1ccc(-c2nc(C[N@@H+]3CC[C@@H](C[NH3+])[C@@H](C)C3)cs2)cc1 ZINC000923501282 1322763335 /nfs/dbraw/zinc/76/33/35/1322763335.db2.gz PRZCGMJECGPSPH-ZFWWWQNUSA-N 2 0 331.485 3.235 10 0 EGAERP COc1cccc(-c2nc(C[N@@H+]3CC[C@H](C[NH3+])[C@@H](C)C3)cs2)c1 ZINC000923502898 1322763356 /nfs/dbraw/zinc/76/33/56/1322763356.db2.gz ZXIQCBPJLKYENP-DZGCQCFKSA-N 2 0 331.485 3.235 10 0 EGAERP O=C(CC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1)Nc1ccccc1 ZINC000923504513 1322764795 /nfs/dbraw/zinc/76/47/95/1322764795.db2.gz ZHGXIQXBJDQWNU-QGZVFWFLSA-N 2 0 329.488 3.117 10 0 EGAERP CCSc1ccccc1C[C@@H](C)[NH2+]C[C@@H](C)N1CC[NH+](CC)CC1 ZINC000924673343 1323106008 /nfs/dbraw/zinc/10/60/08/1323106008.db2.gz XCDZSVQEBZJYMV-QZTJIDSGSA-N 2 0 349.588 3.345 10 0 EGAERP CC[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1cccc(OC)n1 ZINC000924704000 1323123041 /nfs/dbraw/zinc/12/30/41/1323123041.db2.gz JRCZZNMZAQDOAS-GOSISDBHSA-N 2 0 343.471 3.272 10 0 EGAERP COc1ccccc1[C@H](O)C[NH2+][C@@H](C)c1cccc(C[NH+](C)C)c1 ZINC000924736349 1323140541 /nfs/dbraw/zinc/14/05/41/1323140541.db2.gz WSTLKHPTAHKGMS-HNAYVOBHSA-N 2 0 328.456 3.141 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1)c1ccns1 ZINC000924796503 1323165451 /nfs/dbraw/zinc/16/54/51/1323165451.db2.gz DDOIJVCGUJMLFE-KRWDZBQOSA-N 2 0 344.528 3.396 10 0 EGAERP C[C@@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924946056 1323224327 /nfs/dbraw/zinc/22/43/27/1323224327.db2.gz KGAHLTJWYWAMLU-OAHLLOKOSA-N 2 0 335.492 3.314 10 0 EGAERP CC[C@H](OCCN1CCC([N@@H+]2CCCOCC2)CC1)c1ccccc1 ZINC000931286976 1329085764 /nfs/dbraw/zinc/08/57/64/1329085764.db2.gz ZZFNYHFTGZSYBE-NRFANRHFSA-N 2 0 346.515 3.341 10 0 EGAERP C[C@@H]1OC[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)[C@@H]1C ZINC000925224340 1325086877 /nfs/dbraw/zinc/08/68/77/1325086877.db2.gz ZOQYTUZADCFMSZ-LQWHRVPQSA-N 2 0 346.515 3.071 10 0 EGAERP c1ccc2[nH]c(CCC[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)nc2c1 ZINC000925480409 1325168531 /nfs/dbraw/zinc/16/85/31/1325168531.db2.gz KAQNKKBJYVKCOX-SJORKVTESA-N 2 0 326.488 3.253 10 0 EGAERP CC1(C)[C@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925518307 1325186841 /nfs/dbraw/zinc/18/68/41/1325186841.db2.gz DYHSKTIHGWTOEY-MXEMCNAFSA-N 2 0 341.543 3.265 10 0 EGAERP CC1(C)[C@@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925519840 1325188566 /nfs/dbraw/zinc/18/85/66/1325188566.db2.gz PEVWMRJJDYNRSG-AABGKKOBSA-N 3 0 327.516 3.149 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000925524706 1325189913 /nfs/dbraw/zinc/18/99/13/1325189913.db2.gz YLXVDHBGEPFUFS-DOTOQJQBSA-N 2 0 330.451 3.050 10 0 EGAERP COc1ccccc1N1CC[C@H](C[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)C1 ZINC000925539705 1325198779 /nfs/dbraw/zinc/19/87/79/1325198779.db2.gz CTQFJIUTJMGSAS-IKGGRYGDSA-N 2 0 331.504 3.017 10 0 EGAERP Fc1ccc(N2CC[C@H](C[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925562613 1325210066 /nfs/dbraw/zinc/21/00/66/1325210066.db2.gz IGCDIHYKUAOQFY-HBGVWJBISA-N 2 0 345.506 3.410 10 0 EGAERP CC1(C)[C@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925564734 1325212189 /nfs/dbraw/zinc/21/21/89/1325212189.db2.gz LGBWDDGZLGTAKA-QHAWAJNXSA-N 3 0 341.543 3.265 10 0 EGAERP COC(=O)Nc1ccc(CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925579928 1325219333 /nfs/dbraw/zinc/21/93/33/1325219333.db2.gz IQRNCIOXOOKKBM-OALUTQOASA-N 2 0 345.487 3.165 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]Cc2ccc(COC3CCOCC3)cc2)C1 ZINC000925605292 1325229522 /nfs/dbraw/zinc/22/95/22/1325229522.db2.gz DYDPMIUHCBFMBL-RBUKOAKNSA-N 2 0 346.515 3.378 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925608427 1325230141 /nfs/dbraw/zinc/23/01/41/1325230141.db2.gz XQPXDNLIJAKEGN-AYBZRNKSSA-N 2 0 330.520 3.103 10 0 EGAERP C[C@@H](C[NH2+][C@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C)c1nc(-c2ccccc2)no1 ZINC000925630288 1325240074 /nfs/dbraw/zinc/24/00/74/1325240074.db2.gz QNLYLBZHBCJSSA-ORQFMDKSSA-N 2 0 340.471 3.206 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C[C@@H]([NH3+])C1 ZINC000925637862 1325242177 /nfs/dbraw/zinc/24/21/77/1325242177.db2.gz UBIIYZAEFFEUMN-CVEARBPZSA-N 2 0 346.450 3.304 10 0 EGAERP CCN(CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)CCC(F)(F)F ZINC000925649708 1325247092 /nfs/dbraw/zinc/24/70/92/1325247092.db2.gz IBYJKLPJZAPTDT-HOTGVXAUSA-N 2 0 335.458 3.019 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925738506 1325275523 /nfs/dbraw/zinc/27/55/23/1325275523.db2.gz XKXORWHROMTLFP-RTBURBONSA-N 2 0 332.488 3.032 10 0 EGAERP COc1ccc([C@H](C)[C@H](C)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1OC ZINC000925775916 1325294832 /nfs/dbraw/zinc/29/48/32/1325294832.db2.gz IBUPCXRWQSECFV-IPYPFGDCSA-N 2 0 342.430 3.030 10 0 EGAERP COC(=O)c1cnc([C@H](C)[NH2+]CCCCCC2CC[NH2+]CC2)s1 ZINC000925806211 1325308418 /nfs/dbraw/zinc/30/84/18/1325308418.db2.gz BMMJBUPGBXULRE-ZDUSSCGKSA-N 2 0 339.505 3.140 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccc(F)c(F)c1 ZINC000925810053 1325311758 /nfs/dbraw/zinc/31/17/58/1325311758.db2.gz UYOWRUSPAFZJOR-OAHLLOKOSA-N 2 0 345.437 3.221 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccccc1F ZINC000925818227 1325315292 /nfs/dbraw/zinc/31/52/92/1325315292.db2.gz SUAQFMKQCJNZPZ-NRFANRHFSA-N 2 0 341.474 3.472 10 0 EGAERP Cc1nc2c(cccc2CC[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)o1 ZINC000925838765 1325322802 /nfs/dbraw/zinc/32/28/02/1325322802.db2.gz NXSUKPFYAXMEDT-ROUUACIJSA-N 2 0 327.472 3.437 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c(C)c1 ZINC000925842866 1325325068 /nfs/dbraw/zinc/32/50/68/1325325068.db2.gz OABQNAQKFWZFOM-YVWKXTFCSA-N 2 0 329.488 3.142 10 0 EGAERP C[C@@H]([NH2+]CCCCCN1CC[NH2+]CC1)c1cccc(C(F)(F)F)c1 ZINC000925850744 1325329298 /nfs/dbraw/zinc/32/92/98/1325329298.db2.gz WDOBSWHQJPLGNK-OAHLLOKOSA-N 2 0 343.437 3.432 10 0 EGAERP CCc1noc([C@@H]2CC[C@H]([NH2+][C@@H](CCC[NH3+])c3ccccc3)C2)n1 ZINC000925874124 1325338322 /nfs/dbraw/zinc/33/83/22/1325338322.db2.gz WDUYCJJADZVNNF-IKGGRYGDSA-N 2 0 328.460 3.338 10 0 EGAERP CC[C@@H](OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000926652444 1327651984 /nfs/dbraw/zinc/65/19/84/1327651984.db2.gz SWAHHHXGZPZJIQ-OTYNDTSQSA-N 2 0 346.515 3.386 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cnn(C2CCC2)c1 ZINC000926676441 1327661748 /nfs/dbraw/zinc/66/17/48/1327661748.db2.gz LHLUEASSZZKLEW-MRXNPFEDSA-N 2 0 346.519 3.150 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1c2ccccc2C(=O)N1C)c1cccc(C[NH+](C)C)c1 ZINC000926766712 1327706250 /nfs/dbraw/zinc/70/62/50/1327706250.db2.gz ZWGXHERXRCSQTQ-FOIQADDNSA-N 2 0 337.467 3.226 10 0 EGAERP CC(C)[C@@H]1COCC[C@@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)C[C@@H]1C ZINC000926776753 1327712116 /nfs/dbraw/zinc/71/21/16/1327712116.db2.gz FSTNRIFEFUFALZ-VMXMFDLUSA-N 2 0 330.516 3.405 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C2CCN(OCc3ccccc3)CC2)CC1 ZINC000926798867 1327722281 /nfs/dbraw/zinc/72/22/81/1327722281.db2.gz YRSSMRXSPNFDRD-UHFFFAOYSA-N 2 0 345.531 3.435 10 0 EGAERP C[C@H](C[C@@H](C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000862398276 1329482844 /nfs/dbraw/zinc/48/28/44/1329482844.db2.gz CXXLSUOECLNWNL-KFWWJZLASA-N 2 0 327.513 3.141 10 0 EGAERP Cn1ncc2cc(C[NH2+]C(C)(C)CC[NH+]3CCCCCC3)cnc21 ZINC000865532226 1329709984 /nfs/dbraw/zinc/70/99/84/1329709984.db2.gz VKLPHQCFZMLOIJ-UHFFFAOYSA-N 2 0 329.492 3.103 10 0 EGAERP CC(C)[NH+]1CCC(CC[NH2+]Cc2ccc3c(c2)sc(=O)n3C)CC1 ZINC000865716973 1329732115 /nfs/dbraw/zinc/73/21/15/1329732115.db2.gz JMOWDXMQYCNXAZ-UHFFFAOYSA-N 2 0 347.528 3.200 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2cnn3ccccc23)(c2ccccc2)CC1 ZINC000865774017 1329736882 /nfs/dbraw/zinc/73/68/82/1329736882.db2.gz MXUNHSVCLURSPE-UHFFFAOYSA-N 2 0 334.467 3.088 10 0 EGAERP C[N@@H+]1C[C@@H]2CN(Cc3ccc(C(=O)Nc4ccccc4)cc3)C[C@]2(C)C1 ZINC000933741234 1329918536 /nfs/dbraw/zinc/91/85/36/1329918536.db2.gz XPALKRQAEGGCIB-KNQAVFIVSA-N 2 0 349.478 3.322 10 0 EGAERP C[C@H]([NH2+][C@H](C1CCC1)[C@H]1CCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000866510263 1330119873 /nfs/dbraw/zinc/11/98/73/1330119873.db2.gz MBVJTRPSBLWBST-NBHGPNQESA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H](CC(=O)Nc1ccc(F)cc1)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516004 1330120489 /nfs/dbraw/zinc/12/04/89/1330120489.db2.gz LMCIAPYCPIKWDE-ZCGYKAAXSA-N 2 0 335.467 3.395 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCCNC(=O)Nc1ccc([C@@H]2C[C@H]2[NH3+])cc1 ZINC000868188045 1330260535 /nfs/dbraw/zinc/26/05/35/1330260535.db2.gz QTKGWDMQKCOLJU-ZYSHUDEJSA-N 2 0 344.503 3.277 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001323145460 1387301871 /nfs/dbraw/zinc/30/18/71/1387301871.db2.gz ZBVXKKWPMVQECD-VXOKQSJXSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]2CC[N@@H+]2CCC(C)(C)C)CCCCC1 ZINC001323271876 1387320421 /nfs/dbraw/zinc/32/04/21/1387320421.db2.gz BHWISLAYBNEDBG-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001323645159 1387416557 /nfs/dbraw/zinc/41/65/57/1387416557.db2.gz XWJWZOPVXVMQNU-RBUKOAKNSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001323683730 1387422246 /nfs/dbraw/zinc/42/22/46/1387422246.db2.gz FPJJHLNUXFJXGM-ZCNNSNEGSA-N 2 0 349.563 3.362 10 0 EGAERP CCC(CC)C[NH+]1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001324030181 1387513054 /nfs/dbraw/zinc/51/30/54/1387513054.db2.gz GSRDYAUIRDJOGY-IBGZPJMESA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001324162983 1387549762 /nfs/dbraw/zinc/54/97/62/1387549762.db2.gz NVDHMKQTDJTADC-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H]2C[NH2+]CC2CCCC2)CCCCC1 ZINC001324199115 1387555370 /nfs/dbraw/zinc/55/53/70/1387555370.db2.gz HFKSWAJCZUBBBS-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324208299 1387558117 /nfs/dbraw/zinc/55/81/17/1387558117.db2.gz VSVUPPSFVXWTPE-IPLHWJFFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C2CCCC2)CC[N@@H+]1C ZINC001324471574 1387635390 /nfs/dbraw/zinc/63/53/90/1387635390.db2.gz WUWGIUMOBNGNCX-AHRSYUTCSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001324555919 1387670598 /nfs/dbraw/zinc/67/05/98/1387670598.db2.gz CIPWMSXHQQKULT-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001324868741 1387797500 /nfs/dbraw/zinc/79/75/00/1387797500.db2.gz NGFWKPRXCYVXGY-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CC1 ZINC001324869160 1387797573 /nfs/dbraw/zinc/79/75/73/1387797573.db2.gz OFQRYADEXLOPDB-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001324868067 1387797775 /nfs/dbraw/zinc/79/77/75/1387797775.db2.gz HSSVMYNDRPARMM-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH+]1CCC(C)(CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001324869151 1387797835 /nfs/dbraw/zinc/79/78/35/1387797835.db2.gz OFQRYADEXLOPDB-MSOLQXFVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001324892668 1387808038 /nfs/dbraw/zinc/80/80/38/1387808038.db2.gz MNNMLNFOLOEJNV-RTBURBONSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCCCC1 ZINC001324960680 1387856528 /nfs/dbraw/zinc/85/65/28/1387856528.db2.gz IGJDXAHWJKOJRK-RXVVDRJESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@]1([NH2+]CCC[NH+]2CCC(Cc3ccccc3)CC2)CCOC1 ZINC001194083513 1368180169 /nfs/dbraw/zinc/18/01/69/1368180169.db2.gz TYFADUHHYBTQLL-NRFANRHFSA-N 2 0 330.516 3.490 10 0 EGAERP CC(C)C[N@H+](C[C@H](C)NC(=O)OC(C)(C)C)CC1CC[NH+](C)CC1 ZINC001197193938 1368762840 /nfs/dbraw/zinc/76/28/40/1368762840.db2.gz HJSCJJHCTRNLBC-INIZCTEOSA-N 2 0 341.540 3.199 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001325465649 1387982876 /nfs/dbraw/zinc/98/28/76/1387982876.db2.gz HYKYGNXCGNZVKL-XLIONFOSSA-N 2 0 343.515 3.155 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C)[NH+](CC)CC ZINC001325628455 1388014440 /nfs/dbraw/zinc/01/44/40/1388014440.db2.gz DYPWSVXKFLNQFG-IYWMVGAKSA-N 2 0 349.563 3.432 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001325918990 1388083274 /nfs/dbraw/zinc/08/32/74/1388083274.db2.gz FZYBYXNZBUZERZ-WEPWYQGCSA-N 2 0 347.547 3.140 10 0 EGAERP Cc1nc(N2CCCCC2)sc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC001119544722 1371364585 /nfs/dbraw/zinc/36/45/85/1371364585.db2.gz RGOJJEBLJPIJGZ-LJQANCHMSA-N 2 0 348.560 3.407 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@H]2C[C@@H]3[C@H](C2)C3(F)F)[C@@H](C)C1 ZINC001119824239 1371410011 /nfs/dbraw/zinc/41/00/11/1371410011.db2.gz XAQZWHXTBGZHJO-KSWRQPAISA-N 2 0 330.463 3.004 10 0 EGAERP [NH3+][C@H]1CCCC[C@@H]1C(=O)Nc1ccc(CC[NH+]2CCCCC2)cc1 ZINC001326420867 1388183244 /nfs/dbraw/zinc/18/32/44/1388183244.db2.gz JYPJHRJBMIKOLB-OALUTQOASA-N 2 0 329.488 3.171 10 0 EGAERP C[C@@H]([NH2+]CCC1CC1)c1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2C)cc1 ZINC001326481054 1388209530 /nfs/dbraw/zinc/20/95/30/1388209530.db2.gz PCBZCOSVAOSILO-UZLBHIALSA-N 2 0 343.515 3.238 10 0 EGAERP CCCC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)cc1 ZINC001326491229 1388215893 /nfs/dbraw/zinc/21/58/93/1388215893.db2.gz XYHYZRQVCMHVSQ-UTKZUKDTSA-N 2 0 343.515 3.239 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC2(C1)CC[NH+](CCC1=CCCCC1)CC2 ZINC001326589866 1388250745 /nfs/dbraw/zinc/25/07/45/1388250745.db2.gz CKCLAKAIXUCLGR-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001326760337 1388301273 /nfs/dbraw/zinc/30/12/73/1388301273.db2.gz PXBHAMCVRWZISA-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCC2)CCC1 ZINC001326927723 1388352294 /nfs/dbraw/zinc/35/22/94/1388352294.db2.gz HVKXLOKCHNVHFE-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001327157808 1388412837 /nfs/dbraw/zinc/41/28/37/1388412837.db2.gz VCNVLDFELBZECV-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP CCC(CC)C[N@H+](C)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001266102417 1377186138 /nfs/dbraw/zinc/18/61/38/1377186138.db2.gz JSVCLHFFTDDLSV-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001266143499 1377204974 /nfs/dbraw/zinc/20/49/74/1377204974.db2.gz HJLLSPKENHMCSA-AZUAARDMSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1=CCCCC1 ZINC001266170743 1377216343 /nfs/dbraw/zinc/21/63/43/1377216343.db2.gz YVLMFQSZYIOMGK-AOIWGVFYSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](C(=O)NCCC[C@H]1CCC[N@@H+]1Cc1cccc(C)c1)[NH+](C)C ZINC001266223097 1377234551 /nfs/dbraw/zinc/23/45/51/1377234551.db2.gz JBWFCFIQTCVOPR-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001266639484 1377356204 /nfs/dbraw/zinc/35/62/04/1377356204.db2.gz AWRXQJBTBIPCGC-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724188 1377367486 /nfs/dbraw/zinc/36/74/86/1377367486.db2.gz HJPSSOLSPXACCY-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001136345750 1377380521 /nfs/dbraw/zinc/38/05/21/1377380521.db2.gz JJODIBBHMORTNA-INIZCTEOSA-N 2 0 335.492 3.116 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1C[NH+]2CCC1CC2)CC1CCCCC1 ZINC001267256542 1377433261 /nfs/dbraw/zinc/43/32/61/1377433261.db2.gz AJZUIQONDPGDQZ-HXUWFJFHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[C@H]2CC[NH+](CCCC3CCC3)C2)CC[N@@H+]1C ZINC001267531810 1377452692 /nfs/dbraw/zinc/45/26/92/1377452692.db2.gz ZFQQTOUOIIDYDA-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267657678 1377464542 /nfs/dbraw/zinc/46/45/42/1377464542.db2.gz BZMCOTCBJSFDTG-DOTOQJQBSA-N 2 0 342.487 3.083 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CCCC[C@H]1CC[NH2+]CC1CCC1 ZINC001271542801 1377636514 /nfs/dbraw/zinc/63/65/14/1377636514.db2.gz CFHDHFXMKDJQKI-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CCC1 ZINC001273165992 1378090697 /nfs/dbraw/zinc/09/06/97/1378090697.db2.gz IODWPARCWLZWNC-MSOLQXFVSA-N 2 0 335.536 3.212 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001275136707 1378135802 /nfs/dbraw/zinc/13/58/02/1378135802.db2.gz YSYAXCGSYVXZOA-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001327494144 1388535830 /nfs/dbraw/zinc/53/58/30/1388535830.db2.gz YTLNAWLSBKZURM-SREVYHEPSA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H](CC[NH2+]CC2CCC3(CC3)CC2)C1)[NH+](C)C ZINC001280264738 1378338679 /nfs/dbraw/zinc/33/86/79/1378338679.db2.gz ZNONRQYWXCPTQU-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001280770585 1378372108 /nfs/dbraw/zinc/37/21/08/1378372108.db2.gz SSLKFJAPNJFJSC-DSQZMVHQSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[C@H]2CC[NH+](C)C2)CC1 ZINC001280770587 1378372208 /nfs/dbraw/zinc/37/22/08/1378372208.db2.gz SSLKFJAPNJFJSC-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001281834480 1378455344 /nfs/dbraw/zinc/45/53/44/1378455344.db2.gz ZFIGWCNNKDUXMB-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+](C)C(C)C)C2 ZINC001327541838 1388556543 /nfs/dbraw/zinc/55/65/43/1388556543.db2.gz RGNOMCDGEPGARW-NJRZHNRPSA-N 2 0 349.563 3.388 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC1=CCCCC1 ZINC001282677613 1378547528 /nfs/dbraw/zinc/54/75/28/1378547528.db2.gz CMBCIURKWJZDRE-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCCC1)[NH+](C)C ZINC001282677960 1378548960 /nfs/dbraw/zinc/54/89/60/1378548960.db2.gz LBCCMLHADFDDDK-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C(C)(C)C1 ZINC001282820796 1378627207 /nfs/dbraw/zinc/62/72/07/1378627207.db2.gz MTEKYOOJWXMQQK-FNYRVFDFSA-N 2 0 349.563 3.434 10 0 EGAERP CCC[NH+](CCC)CCCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001143891837 1378657460 /nfs/dbraw/zinc/65/74/60/1378657460.db2.gz UTVGGOBISZQABV-LJQANCHMSA-N 2 0 337.552 3.412 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C[C@@H]2C1 ZINC001282947469 1378680819 /nfs/dbraw/zinc/68/08/19/1378680819.db2.gz LBHFNNORSHZQGR-IPMKNSEASA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CCC[N@H+](CCC1CCCC1)C2 ZINC001282977029 1378694265 /nfs/dbraw/zinc/69/42/65/1378694265.db2.gz AZGDIPUBQINWKF-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001283652990 1379083566 /nfs/dbraw/zinc/08/35/66/1379083566.db2.gz ITDYLJXGOGZDIA-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1c(C(=O)N2C[C@H]([NH2+]CCC(C)(C)C)C[C@@H]2C)ccc2c[nH+]cn21 ZINC001283997436 1379351269 /nfs/dbraw/zinc/35/12/69/1379351269.db2.gz QOZXCDCOKMLOBT-GOEBONIOSA-N 2 0 342.487 3.272 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2=CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001284029482 1379378429 /nfs/dbraw/zinc/37/84/29/1379378429.db2.gz DTMUNRNAXWRFPM-UYAOXDASSA-N 2 0 347.547 3.332 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284059838 1379412972 /nfs/dbraw/zinc/41/29/72/1379412972.db2.gz YEKKGYIODIWHNG-QKNQBKEWSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001284066390 1379423606 /nfs/dbraw/zinc/42/36/06/1379423606.db2.gz GJTLXFWHZREIHX-TZIWHRDSSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001284098074 1379466123 /nfs/dbraw/zinc/46/61/23/1379466123.db2.gz WVZYPLHGKSAOPE-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1[NH2+]CC1CCCC1 ZINC001327886932 1388616572 /nfs/dbraw/zinc/61/65/72/1388616572.db2.gz WBLCFJZKGOXQRI-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CC1(C)CC(C[NH2+]C[C@H]2CC[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001284247113 1379630750 /nfs/dbraw/zinc/63/07/50/1379630750.db2.gz PVDUIBOTAVXEIT-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC1(C)C ZINC001284349763 1379748439 /nfs/dbraw/zinc/74/84/39/1379748439.db2.gz QZLFVDQYZPAJHH-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCC(C)CC1)C(C)(C)C ZINC001284644144 1380051938 /nfs/dbraw/zinc/05/19/38/1380051938.db2.gz ZGVUEHBBJCDEQS-ABHNRTSZSA-N 2 0 339.568 3.275 10 0 EGAERP CC[C@H](C(=O)N[C@@H]1CC[N@H+](CC=C(C)C)CC1(C)C)[NH+](CC)CC ZINC001328102526 1388673815 /nfs/dbraw/zinc/67/38/15/1388673815.db2.gz NRRICWGAJWSULJ-QZTJIDSGSA-N 2 0 337.552 3.290 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC3(CCC3)C2)[C@H](C)C1 ZINC001328281998 1388713295 /nfs/dbraw/zinc/71/32/95/1388713295.db2.gz FQTYLITYJMBIBR-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CCNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001328350962 1388727701 /nfs/dbraw/zinc/72/77/01/1388727701.db2.gz BIIAGMMMIRKSCG-INIZCTEOSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N2CCCC[C@H]2C[NH2+]C/C=C/Cl)c1 ZINC001328674284 1388803813 /nfs/dbraw/zinc/80/38/13/1388803813.db2.gz UFVTVFNYEKBXAA-OPUMOTSWSA-N 2 0 349.906 3.085 10 0 EGAERP Cc1ccccc1[C@H]([C@H](C)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21)[NH+](C)C ZINC001296530906 1383012192 /nfs/dbraw/zinc/01/21/92/1383012192.db2.gz WVYUTLRNIDUHMZ-HNJRGHQBSA-N 2 0 343.515 3.119 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[N@H+](C)CCC1CCCCC1)[NH+](C)C ZINC001328734149 1388831837 /nfs/dbraw/zinc/83/18/37/1388831837.db2.gz VSBGHSXPOISRKI-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)Nc2ccccc2Nc2cc[nH+]cc2)C1 ZINC001297273575 1383136137 /nfs/dbraw/zinc/13/61/37/1383136137.db2.gz MMNCSUGFICBMGH-NVXWUHKLSA-N 2 0 338.455 3.306 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H]1CC ZINC001328735515 1388833978 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OCAQYHKRYNHZDS-XLIONFOSSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H](F)C[NH+](CC)CC)CC[N@@H+]1CCC(C)(C)C ZINC001316733871 1384551472 /nfs/dbraw/zinc/55/14/72/1384551472.db2.gz ZHFFSUZXQJGYJX-YESZJQIVSA-N 2 0 343.531 3.072 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1cccc(F)c1 ZINC001316774920 1384573604 /nfs/dbraw/zinc/57/36/04/1384573604.db2.gz WCVZLSXDYYSGEX-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](Cc2cccc(C)c2)[C@@H]1C)[NH+](CC)CC ZINC001316792095 1384585208 /nfs/dbraw/zinc/58/52/08/1384585208.db2.gz DHSPDNYBZBXKGL-HOJAQTOUSA-N 2 0 345.531 3.194 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001316812473 1384610960 /nfs/dbraw/zinc/61/09/60/1384610960.db2.gz WTJQTOBYCXWTGA-QZTJIDSGSA-N 2 0 337.552 3.122 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001316850713 1384639312 /nfs/dbraw/zinc/63/93/12/1384639312.db2.gz IDBPEIDHEJDPAO-PKOBYXMFSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)[C@H](C(=O)NCCC[N@H+](C)[C@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001316870530 1384655474 /nfs/dbraw/zinc/65/54/74/1384655474.db2.gz PUPFFKBYEPEDFM-UYAOXDASSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)=CC[NH+]1CCC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001316933611 1384704330 /nfs/dbraw/zinc/70/43/30/1384704330.db2.gz NQTKFSBZFHLSRT-UHFFFAOYSA-N 2 0 349.563 3.388 10 0 EGAERP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001317008017 1384771647 /nfs/dbraw/zinc/77/16/47/1384771647.db2.gz UCIUJXQBXAAIJL-MOPGFXCFSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]([NH2+]CC1CCCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001317024317 1384790529 /nfs/dbraw/zinc/79/05/29/1384790529.db2.gz JDMWRDIHFQUOSX-FXAWDEMLSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]([NH2+]CC2CCCCC2)C2CC2)C1 ZINC001317026969 1384794296 /nfs/dbraw/zinc/79/42/96/1384794296.db2.gz OQMCRJNLTXWRFS-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C/CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCC[NH+]1CCCCC1 ZINC001317048722 1384825449 /nfs/dbraw/zinc/82/54/49/1384825449.db2.gz CTFIKAPXIVLKOR-IGVYDEPUSA-N 2 0 347.547 3.284 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c(C)c1 ZINC001329057936 1388949170 /nfs/dbraw/zinc/94/91/70/1388949170.db2.gz XOTXAZVDYJKRFA-ZWKOTPCHSA-N 2 0 345.531 3.079 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001317111390 1384873660 /nfs/dbraw/zinc/87/36/60/1384873660.db2.gz BKMOHAUIOKTOJC-CEXWTWQISA-N 2 0 349.563 3.314 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001317171488 1384937975 /nfs/dbraw/zinc/93/79/75/1384937975.db2.gz BHTTZKCYXMBHJX-YSNLUETFSA-N 2 0 335.536 3.044 10 0 EGAERP CC1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C2CCC2)CC1 ZINC001317171408 1384938077 /nfs/dbraw/zinc/93/80/77/1384938077.db2.gz ASMLPFVJPIDGNU-AFMYVXGZSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001317199518 1384974135 /nfs/dbraw/zinc/97/41/35/1384974135.db2.gz MFSNCYXQOHNSMR-RTLBZRNLSA-N 2 0 335.536 3.189 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H]1CCC[NH+](CCC2CCCC2)C1 ZINC001317208256 1384983662 /nfs/dbraw/zinc/98/36/62/1384983662.db2.gz XRSUAKNRUBPBKC-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001317212443 1384992207 /nfs/dbraw/zinc/99/22/07/1384992207.db2.gz SRWOULZVEQMWSE-GAAPFBLASA-N 2 0 347.547 3.042 10 0 EGAERP C[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001317271062 1385041277 /nfs/dbraw/zinc/04/12/77/1385041277.db2.gz KMJBHJHNTXWIOC-PBHHLJAZSA-N 2 0 343.515 3.059 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317383969 1385108659 /nfs/dbraw/zinc/10/86/59/1385108659.db2.gz JRIQTEXXKCGGQZ-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCC1 ZINC001317394868 1385112701 /nfs/dbraw/zinc/11/27/01/1385112701.db2.gz CCVFMJWUYIHEIQ-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001317403510 1385117270 /nfs/dbraw/zinc/11/72/70/1385117270.db2.gz ZLAUXIKKCRIIPO-MSOLQXFVSA-N 2 0 345.531 3.415 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]Cc2cccc(C)c2)C1 ZINC001317403923 1385117527 /nfs/dbraw/zinc/11/75/27/1385117527.db2.gz IBMOWRNXJSVJMT-AZUAARDMSA-N 2 0 345.531 3.101 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CCCC1 ZINC001317423278 1385130301 /nfs/dbraw/zinc/13/03/01/1385130301.db2.gz MMUYNDAIBLJDCT-WOJBJXKFSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1Cc1ccsc1 ZINC001317429051 1385133983 /nfs/dbraw/zinc/13/39/83/1385133983.db2.gz FCIATQOBOFDQRN-MSOLQXFVSA-N 2 0 349.544 3.093 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)CC1CCC(C)CC1 ZINC001317480497 1385176452 /nfs/dbraw/zinc/17/64/52/1385176452.db2.gz VVVBAGBQUSBVAU-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001329102178 1388968687 /nfs/dbraw/zinc/96/86/87/1388968687.db2.gz BRVHBEQVCOIASX-SJORKVTESA-N 2 0 335.536 3.234 10 0 EGAERP CC[N@H+](CCCC(C)(C)C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317483026 1385180293 /nfs/dbraw/zinc/18/02/93/1385180293.db2.gz ANIPYJBODTZOQU-UHFFFAOYSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001317508623 1385217980 /nfs/dbraw/zinc/21/79/80/1385217980.db2.gz DMEAZNZGRBKXSJ-RBUKOAKNSA-N 2 0 337.552 3.410 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317513257 1385225962 /nfs/dbraw/zinc/22/59/62/1385225962.db2.gz JCXKNCQGYHSWHL-SBUVDCAVSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](C(=O)NC[C@@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001317530729 1385255043 /nfs/dbraw/zinc/25/50/43/1385255043.db2.gz ZBKDNOSDQSSSTD-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP 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CC(C)[C@@H](C(=O)N(C)[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001318414462 1385680540 /nfs/dbraw/zinc/68/05/40/1385680540.db2.gz TXEKVZTUWUPONP-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001318553996 1385752340 /nfs/dbraw/zinc/75/23/40/1385752340.db2.gz DRRRIWCCENJRAV-YJBOKZPZSA-N 2 0 349.494 3.246 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581605 1385769214 /nfs/dbraw/zinc/76/92/14/1385769214.db2.gz KRCMMJMLTWAFOU-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CCC(C)(C)C ZINC001318589916 1385773643 /nfs/dbraw/zinc/77/36/43/1385773643.db2.gz BVDGEYORYDRKGE-QGZVFWFLSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC2(CC[NH+](CCC(C)(C)C)C2)CC1 ZINC001319149099 1385980775 /nfs/dbraw/zinc/98/07/75/1385980775.db2.gz GHCDPOUXAQDANK-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C)CC2 ZINC001319410269 1386108733 /nfs/dbraw/zinc/10/87/33/1386108733.db2.gz BJEFGNNXGFFFTN-WOQGQJNTSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]C/C=C/c1ccccc1 ZINC001319455423 1386129142 /nfs/dbraw/zinc/12/91/42/1386129142.db2.gz SECYWQWYADJANF-YBGNTVOFSA-N 2 0 343.515 3.009 10 0 EGAERP CC[C@H](C(=O)N(C)[C@@H](C)C[NH2+]Cc1cccc2ccccc21)[NH+](C)C ZINC001319558981 1386178624 /nfs/dbraw/zinc/17/86/24/1386178624.db2.gz CHYXEVVHQYNMQQ-OXJNMPFZSA-N 2 0 341.499 3.117 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC001319635322 1386223455 /nfs/dbraw/zinc/22/34/55/1386223455.db2.gz HZDVYHMWJMTHFP-IEBWSBKVSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)C1CC[NH+](C)CC1)C1CCCCC1 ZINC001319659353 1386238881 /nfs/dbraw/zinc/23/88/81/1386238881.db2.gz JUIYGTNTNPMOFV-IBGZPJMESA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001319787375 1386296218 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ZINC001330485614 1389427022 /nfs/dbraw/zinc/42/70/22/1389427022.db2.gz INARGPCLXLVTDU-VOFKWLDRSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)C[C@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001331601744 1389823604 /nfs/dbraw/zinc/82/36/04/1389823604.db2.gz UTMMSAHSHSRHRC-KRWDZBQOSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001332100975 1389984093 /nfs/dbraw/zinc/98/40/93/1389984093.db2.gz QOUGFTAWGFNMKR-TZIWHRDSSA-N 2 0 347.547 3.164 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001332109313 1389988452 /nfs/dbraw/zinc/98/84/52/1389988452.db2.gz FYLSXBWLFZZJQQ-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C[N@H+](C)C(C)C)C[C@H]21 ZINC001332162827 1390014596 /nfs/dbraw/zinc/01/45/96/1390014596.db2.gz XTDRWMMVBSHSHL-ODWICZQRSA-N 2 0 349.563 3.290 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001332294652 1390078523 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CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001479711119 1392332700 /nfs/dbraw/zinc/33/27/00/1392332700.db2.gz FVHCSGMVQKMZOO-CEXWTWQISA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)CC(C)(C)C1 ZINC001479748554 1392366335 /nfs/dbraw/zinc/36/63/35/1392366335.db2.gz YFUOJBCNNQAXQW-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@H+](CCCNC(=O)C12CCC[NH+](CCC1)C2)CCCC(C)(C)C ZINC001479778126 1392383051 /nfs/dbraw/zinc/38/30/51/1392383051.db2.gz MULLSJHEIYFVSW-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+][C@@H](C)c1cc(C)ccc1C ZINC001698857065 1406564354 /nfs/dbraw/zinc/56/43/54/1406564354.db2.gz YRCUGCKHAKITAM-MSOLQXFVSA-N 2 0 333.520 3.143 10 0 EGAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479854679 1392434493 /nfs/dbraw/zinc/43/44/93/1392434493.db2.gz LPAADPDFSHAHHY-LPHOPBHVSA-N 2 0 343.531 3.073 10 0 EGAERP CC[C@H](C)C[N@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479854680 1392434891 /nfs/dbraw/zinc/43/48/91/1392434891.db2.gz LPAADPDFSHAHHY-QFBILLFUSA-N 2 0 343.531 3.073 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001479953119 1392490460 /nfs/dbraw/zinc/49/04/60/1392490460.db2.gz BQYUCXSHGLITGF-HPFMTEOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001479984375 1392516856 /nfs/dbraw/zinc/51/68/56/1392516856.db2.gz BCASLODZGNEBOM-ZEVQVBBLSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001479987524 1392519373 /nfs/dbraw/zinc/51/93/73/1392519373.db2.gz FOQUMSDBFURUFM-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP CC1CCC(C[NH2+][C@H](CNC(=O)CC2CC[NH+](C)CC2)C2CC2)CC1 ZINC001480051625 1392552066 /nfs/dbraw/zinc/55/20/66/1392552066.db2.gz TWEFCHWPJOKZQN-OUNSHVDWSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H](C[NH+](C)CCC3CC3)C2)C1 ZINC001480082256 1392571802 /nfs/dbraw/zinc/57/18/02/1392571802.db2.gz PJHNEMHYYFRGCL-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001480101322 1392585795 /nfs/dbraw/zinc/58/57/95/1392585795.db2.gz MDPXWHGNUBARBV-GGJLBNBESA-N 2 0 347.547 3.138 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H]2C[NH+](CCC3CC3)CC[C@H]21)CC(C)(C)C ZINC001480190244 1392619731 /nfs/dbraw/zinc/61/97/31/1392619731.db2.gz YOPOVCKDUQHLMC-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001480291199 1392661972 /nfs/dbraw/zinc/66/19/72/1392661972.db2.gz FARIVANUEWWIRA-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[NH2+]C1CCC(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001480404283 1392742174 /nfs/dbraw/zinc/74/21/74/1392742174.db2.gz ZJLOWRFXMOQPKQ-ACBHZAAOSA-N 2 0 337.552 3.312 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001480615346 1392820743 /nfs/dbraw/zinc/82/07/43/1392820743.db2.gz HIZBFINHPZYKLF-TUYSUELWSA-N 2 0 349.544 3.360 10 0 EGAERP CCCCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480621199 1392825450 /nfs/dbraw/zinc/82/54/50/1392825450.db2.gz QLOIZFZNIZVNNZ-IBGZPJMESA-N 2 0 331.504 3.133 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001698872980 1406593840 /nfs/dbraw/zinc/59/38/40/1406593840.db2.gz HCVJECPCJOMANP-MJGOQNOKSA-N 2 0 349.563 3.029 10 0 EGAERP CC1CCC(C[N@H+](C)[C@@H]2CCCN(C(=O)C3(C[NH+](C)C)CC3)C2)CC1 ZINC001480732951 1392896686 /nfs/dbraw/zinc/89/66/86/1392896686.db2.gz IMORTSCDHVJYAG-CTWPCTMYSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480736448 1392901752 /nfs/dbraw/zinc/90/17/52/1392901752.db2.gz FMICNVXCRHNFKI-OALUTQOASA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H](CCNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001480784050 1392930994 /nfs/dbraw/zinc/93/09/94/1392930994.db2.gz QJOYZGKTZICPDR-PEKVBPLLSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@H](C)[NH2+]CC1CCCC1)[NH+]1CCCCC1 ZINC001480813860 1392951482 /nfs/dbraw/zinc/95/14/82/1392951482.db2.gz NAZFKBVQBIINAE-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C1CCCC1)C(C)(C)C(=O)NCC[N@@H+](C)CC1CC(C)(C)C1 ZINC001480882445 1392997664 /nfs/dbraw/zinc/99/76/64/1392997664.db2.gz KMDFPBXASHKNPI-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[NH+](C)[C@@H](C)c1cc(C)ccc1C ZINC001480952206 1393043001 /nfs/dbraw/zinc/04/30/01/1393043001.db2.gz ZOUKCJBTHGKFBE-AZUAARDMSA-N 2 0 345.531 3.287 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)CC(C)C ZINC001698880751 1406609320 /nfs/dbraw/zinc/60/93/20/1406609320.db2.gz XIUGPRMGRIZYMO-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001481121278 1393125370 /nfs/dbraw/zinc/12/53/70/1393125370.db2.gz WUFXRLKBZZMJTP-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCCC1 ZINC001481150546 1393135205 /nfs/dbraw/zinc/13/52/05/1393135205.db2.gz KKRYZAIIVCUEPM-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc(C[NH2+]CCN(C)C(=O)[C@H](C(C)C)[NH+]2CCCCC2)c1 ZINC001481319442 1393163062 /nfs/dbraw/zinc/16/30/62/1393163062.db2.gz DWVCOPNQPIXKOB-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCCC1)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481339917 1393167594 /nfs/dbraw/zinc/16/75/94/1393167594.db2.gz FQZRBSAVRIANGY-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCC1 ZINC001490355205 1393179002 /nfs/dbraw/zinc/17/90/02/1393179002.db2.gz GSARRJNDVXBMCD-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)C1CC1 ZINC001490383875 1394210580 /nfs/dbraw/zinc/21/05/80/1394210580.db2.gz RSYPYUXTQDJIBI-XLIONFOSSA-N 2 0 343.515 3.203 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c1ccccc1)[NH+](C)C ZINC001481371417 1394212613 /nfs/dbraw/zinc/21/26/13/1394212613.db2.gz VKUJCUULIDPJDR-ROUUACIJSA-N 2 0 333.520 3.210 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001490420233 1394220865 /nfs/dbraw/zinc/22/08/65/1394220865.db2.gz SBAOTGNNKLUUBW-UHDDOPSISA-N 2 0 347.547 3.282 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001490776397 1394340325 /nfs/dbraw/zinc/34/03/25/1394340325.db2.gz LRWKDYCOMWECOE-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)[C@H](C(=O)N1CC[C@@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCC1 ZINC001481509018 1394355802 /nfs/dbraw/zinc/35/58/02/1394355802.db2.gz MZTNWCACIIFYFY-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481530410 1394386152 /nfs/dbraw/zinc/38/61/52/1394386152.db2.gz TXUROTJEQRAVKD-SBUVDCAVSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)c1ccccc1 ZINC001491069661 1394417973 /nfs/dbraw/zinc/41/79/73/1394417973.db2.gz LRUVLEVDXIZGDU-ZCNNSNEGSA-N 2 0 343.515 3.106 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@H+](CCC3CCCCC3)C2)CCC1 ZINC001491109514 1394431179 /nfs/dbraw/zinc/43/11/79/1394431179.db2.gz IEONOEANIJXYJB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@@H+]1CCC[C@@H](CNC(=O)CC[NH+](C)C)C1 ZINC001491120240 1394438825 /nfs/dbraw/zinc/43/88/25/1394438825.db2.gz MVKSZXBHOGCIAK-QFBILLFUSA-N 2 0 349.494 3.057 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001491189605 1394463944 /nfs/dbraw/zinc/46/39/44/1394463944.db2.gz COXZLRLNVRLJFJ-RTBURBONSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001491270499 1394499097 /nfs/dbraw/zinc/49/90/97/1394499097.db2.gz CVTKAENBSMLLSJ-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CCCC1 ZINC001491270496 1394499123 /nfs/dbraw/zinc/49/91/23/1394499123.db2.gz CVTKAENBSMLLSJ-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CCC(=O)N(CC)[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001481777142 1394521729 /nfs/dbraw/zinc/52/17/29/1394521729.db2.gz FAHPXSILZQIKSD-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP C[C@H](c1ccccc1)[N@H+](C)CCC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001698955211 1406700876 /nfs/dbraw/zinc/70/08/76/1406700876.db2.gz CKWZMKNTOWUJRM-GOSISDBHSA-N 2 0 345.531 3.260 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CC[C@H]([NH2+]CC2CCCC2)CC1 ZINC001482028027 1394686518 /nfs/dbraw/zinc/68/65/18/1394686518.db2.gz YDMHIOCEXZXZMT-MXVIHJGJSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)=CC[NH+]1CCC(CCNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001482044557 1394706458 /nfs/dbraw/zinc/70/64/58/1394706458.db2.gz ZROOXOWTOKYZPN-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCCC1)[NH+](C)C ZINC001482062189 1394723644 /nfs/dbraw/zinc/72/36/44/1394723644.db2.gz GNQOFUQYENRVRS-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001482223204 1394817504 /nfs/dbraw/zinc/81/75/04/1394817504.db2.gz ZIYQVUPXIIODFS-ONEGZZNKSA-N 2 0 347.547 3.237 10 0 EGAERP C[C@@H](C[NH2+]CC1CC2(CCC2)C1)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001482337098 1394905021 /nfs/dbraw/zinc/90/50/21/1394905021.db2.gz MWUVTUPYGGYKBT-ROUUACIJSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001482405875 1394968616 /nfs/dbraw/zinc/96/86/16/1394968616.db2.gz JZZWPZRHLDXHKR-MJGOQNOKSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CCCCC2)C1 ZINC001482413432 1394977353 /nfs/dbraw/zinc/97/73/53/1394977353.db2.gz NSSGRLLTFPHECE-RBUKOAKNSA-N 2 0 349.563 3.029 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001482425518 1394986715 /nfs/dbraw/zinc/98/67/15/1394986715.db2.gz SEXZEYBKKZPNNC-ZYHOBAKYSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001482436627 1394997859 /nfs/dbraw/zinc/99/78/59/1394997859.db2.gz KXTKGWDYSBSQOE-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@]2(CC[N@H+](CCC(C)C)C2)C1)[NH+](CC)CC ZINC001483846937 1395113319 /nfs/dbraw/zinc/11/33/19/1395113319.db2.gz DRKNZLQKYXHXRM-UYAOXDASSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccccc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H](C)C1 ZINC001483917663 1395144940 /nfs/dbraw/zinc/14/49/40/1395144940.db2.gz WYQIMZFCRASBQC-ICSRJNTNSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1 ZINC001483931763 1395150255 /nfs/dbraw/zinc/15/02/55/1395150255.db2.gz QYTXDNFXCPQRCG-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCC1 ZINC001483935749 1395152088 /nfs/dbraw/zinc/15/20/88/1395152088.db2.gz YPSBZJNLPFMAJG-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001484019004 1395190615 /nfs/dbraw/zinc/19/06/15/1395190615.db2.gz NYBPWPQBVJCRCL-AABGKKOBSA-N 2 0 349.563 3.362 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001484065253 1395228155 /nfs/dbraw/zinc/22/81/55/1395228155.db2.gz KSMOORIQLATMFU-IRUYWQDXSA-N 2 0 343.515 3.299 10 0 EGAERP C[NH+](C)C1(C(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCCC3)C2)CCC1 ZINC001484098729 1395249893 /nfs/dbraw/zinc/24/98/93/1395249893.db2.gz ZBLAZZWUKUETNZ-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CC1=CCCCC1 ZINC001698977178 1406748550 /nfs/dbraw/zinc/74/85/50/1406748550.db2.gz GIRYRFUNPGJNOQ-HXUWFJFHSA-N 2 0 349.563 3.338 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2(C)CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001484144870 1395280296 /nfs/dbraw/zinc/28/02/96/1395280296.db2.gz LXZYKESRUQUBJZ-LJQANCHMSA-N 2 0 347.547 3.047 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCC1)C2 ZINC001484321871 1395340276 /nfs/dbraw/zinc/34/02/76/1395340276.db2.gz WIJPLBHHORKEMZ-ZCNNSNEGSA-N 2 0 347.547 3.022 10 0 EGAERP CCCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC001484557863 1395439378 /nfs/dbraw/zinc/43/93/78/1395439378.db2.gz YEHPOWOUNYBSGD-QZTJIDSGSA-N 2 0 345.531 3.408 10 0 EGAERP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001484560795 1395444436 /nfs/dbraw/zinc/44/44/36/1395444436.db2.gz HJEAIXPIBFUPBR-BXWFABGCSA-N 2 0 331.504 3.094 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001484814755 1395548994 /nfs/dbraw/zinc/54/89/94/1395548994.db2.gz QAFKZLASDXLIFT-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1Cc2ccc(CNC(=O)Cc3c[nH]cn3)cc2C1 ZINC001484875426 1395578332 /nfs/dbraw/zinc/57/83/32/1395578332.db2.gz FIIGSWCUPVVEAR-UHFFFAOYSA-N 2 0 340.471 3.020 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CN(C(=O)c2ccc3c[nH+]cn3c2C)C[C@@H]1C ZINC001484892764 1395588572 /nfs/dbraw/zinc/58/85/72/1395588572.db2.gz QHDBKFIHVISOFY-LBLGZAAXSA-N 2 0 340.471 3.049 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CCC[C@H]([C@@H]2CC[NH+](CC)C2)C1 ZINC001485082134 1395651555 /nfs/dbraw/zinc/65/15/55/1395651555.db2.gz MJFIUXIKVKSMCJ-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001485262735 1395748000 /nfs/dbraw/zinc/74/80/00/1395748000.db2.gz RENBOULSWOEPNT-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1ccc(C)cc1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001485465707 1395940600 /nfs/dbraw/zinc/94/06/00/1395940600.db2.gz MIPINEFQRGLVQM-VQTJNVASSA-N 2 0 345.531 3.244 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001698994622 1406790254 /nfs/dbraw/zinc/79/02/54/1406790254.db2.gz GWQNVSYWCHTLNQ-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001485486699 1395972105 /nfs/dbraw/zinc/97/21/05/1395972105.db2.gz ZUBSETZOQYBYAW-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[N@@H+]1C[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C(C)(C)C1 ZINC001485587375 1396063423 /nfs/dbraw/zinc/06/34/23/1396063423.db2.gz UXHMVAIGYNDFDI-IBGZPJMESA-N 2 0 345.531 3.379 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001485781751 1396151649 /nfs/dbraw/zinc/15/16/49/1396151649.db2.gz CJWKTKVEBJCNAS-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CCCC(C)(C)C)CN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001486123719 1396178824 /nfs/dbraw/zinc/17/88/24/1396178824.db2.gz GXJORWLZQXRPEM-IAGOWNOFSA-N 2 0 339.568 3.370 10 0 EGAERP C[N@H+](CC(=O)N[C@@]12CCC[C@H]1[NH+](CCC1CCCC1)CC2)C1CCC1 ZINC001486146775 1396179882 /nfs/dbraw/zinc/17/98/82/1396179882.db2.gz LFLHVGSHIAQGHN-TZIWHRDSSA-N 2 0 347.547 3.164 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+][C@@H]1CN(C(=O)C[N@@H+](C)C(C)C)CC1(C)C ZINC001486249707 1396189480 /nfs/dbraw/zinc/18/94/80/1396189480.db2.gz JZXHTRDDACXAQH-IEBWSBKVSA-N 2 0 345.531 3.223 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001501625154 1396194764 /nfs/dbraw/zinc/19/47/64/1396194764.db2.gz DQAYOGGXTXAEAW-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001501625071 1396194845 /nfs/dbraw/zinc/19/48/45/1396194845.db2.gz CYARYRWHFREQHH-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)cc1 ZINC001503023693 1396241782 /nfs/dbraw/zinc/24/17/82/1396241782.db2.gz PIXBXELZHWLRJS-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP CN(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699001361 1406812825 /nfs/dbraw/zinc/81/28/25/1406812825.db2.gz RPRJJYDZXGHZKU-RBUKOAKNSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001491960263 1396301117 /nfs/dbraw/zinc/30/11/17/1396301117.db2.gz SKEYYGVGSQKPMV-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491965975 1396301500 /nfs/dbraw/zinc/30/15/00/1396301500.db2.gz WIEQAXOCDGIDGO-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[NH2+][C@@H](C)C1CCN(C(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001493825181 1396343184 /nfs/dbraw/zinc/34/31/84/1396343184.db2.gz CNOZVOQBTVPCPJ-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)c1ccc(C[N@H+]2CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)C2)cc1 ZINC001494786476 1396495682 /nfs/dbraw/zinc/49/56/82/1396495682.db2.gz LWWBGAVIZQULKG-WOJBJXKFSA-N 2 0 345.531 3.087 10 0 EGAERP CC[NH+](CC)CC[C@@H](NC(=O)NC(C)(C)C[NH+](C)C)c1ccccc1 ZINC001687847372 1396510438 /nfs/dbraw/zinc/51/04/38/1396510438.db2.gz IMPLIIYLIAOWQZ-GOSISDBHSA-N 2 0 348.535 3.099 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001495168601 1396521927 /nfs/dbraw/zinc/52/19/27/1396521927.db2.gz NQBPDHLHXODZSC-RTBURBONSA-N 2 0 349.563 3.458 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001495948475 1396574832 /nfs/dbraw/zinc/57/48/32/1396574832.db2.gz QTOGOHCEJQKXDV-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP Cc1ccc(C[NH2+]C[C@H](CC(C)C)NC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001496277991 1396628418 /nfs/dbraw/zinc/62/84/18/1396628418.db2.gz FSKZPKHJOCOGKT-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H]1CCN(C(=O)CC[NH+](C)C)C[C@H]1C ZINC001496365617 1396670507 /nfs/dbraw/zinc/67/05/07/1396670507.db2.gz ZWVGXRLFBXROGI-YLJYHZDGSA-N 2 0 345.531 3.088 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CCC1=CCCCC1 ZINC001699010776 1406839108 /nfs/dbraw/zinc/83/91/08/1406839108.db2.gz FUPJFMWDZXTCMM-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001496432483 1396706362 /nfs/dbraw/zinc/70/63/62/1396706362.db2.gz YRDDODYMHIRUKA-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@@H](CC[NH2+]CCCC(C)(C)C)NC(=O)C[NH+]1CCC(C)CC1 ZINC001497297512 1396744950 /nfs/dbraw/zinc/74/49/50/1396744950.db2.gz LFMOLSKVGQQMPE-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP CCN(CC[NH2+]CCCC1CCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001497407814 1396756679 /nfs/dbraw/zinc/75/66/79/1396756679.db2.gz ONVCGTNCTZFTBJ-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[NH+]1CCCCC1)c1ccccc1F ZINC001497764560 1396834162 /nfs/dbraw/zinc/83/41/62/1396834162.db2.gz PEANSFCJQIKMIX-OSJSJHBBSA-N 2 0 347.478 3.025 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001498132596 1396924070 /nfs/dbraw/zinc/92/40/70/1396924070.db2.gz QBSMNQLYEGBIQH-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)C[NH+]1CCCC1)c1cccc2ccccc21 ZINC001498190300 1396933850 /nfs/dbraw/zinc/93/38/50/1396933850.db2.gz MSMBTRFAVXPWMO-DLBZAZTESA-N 2 0 339.483 3.091 10 0 EGAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001689131042 1396936271 /nfs/dbraw/zinc/93/62/71/1396936271.db2.gz KLRHTZNQWVJUFZ-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC[N@@H+]1CC1CC2(CCC2)C1 ZINC001689177144 1396959478 /nfs/dbraw/zinc/95/94/78/1396959478.db2.gz ZGPPDOULQIBQCD-OTWHNJEPSA-N 2 0 349.563 3.122 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H]1CCCCCN(C(=O)CC[NH+](C)C)C1 ZINC001689267340 1396998576 /nfs/dbraw/zinc/99/85/76/1396998576.db2.gz IJXKLDMKRCQSHD-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001689272318 1397008302 /nfs/dbraw/zinc/00/83/02/1397008302.db2.gz YHVDLOYVVUNQPK-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001498492840 1397036724 /nfs/dbraw/zinc/03/67/24/1397036724.db2.gz UZLDUGUQCQBZPR-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+](C)C)CC(C)(C)C1 ZINC001689362516 1403698601 /nfs/dbraw/zinc/69/86/01/1403698601.db2.gz ALIVALHYKISOHG-DVBCCOPCSA-N 2 0 337.552 3.291 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689908367 1404200600 /nfs/dbraw/zinc/20/06/00/1404200600.db2.gz BVVLJPOUTLDJPX-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1=CCCCC1 ZINC001689970082 1404235436 /nfs/dbraw/zinc/23/54/36/1404235436.db2.gz DQYZLHZAJZSDTJ-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001690197639 1404408093 /nfs/dbraw/zinc/40/80/93/1404408093.db2.gz QTJBVLIFNVAJDF-ICSRJNTNSA-N 2 0 345.531 3.260 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001690354858 1404489364 /nfs/dbraw/zinc/48/93/64/1404489364.db2.gz DYDJXLUMLRSFOF-VXIBKDFQSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001690357695 1404492483 /nfs/dbraw/zinc/49/24/83/1404492483.db2.gz CFQODXFOSARBLO-OTWHNJEPSA-N 2 0 335.536 3.066 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001690413945 1404546270 /nfs/dbraw/zinc/54/62/70/1404546270.db2.gz NPEBWENXCOWORL-WOJBJXKFSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCC1 ZINC001690650737 1404681880 /nfs/dbraw/zinc/68/18/80/1404681880.db2.gz QNPUUBUTZJQXLI-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H](C)[NH2+]CCC1=CCCCC1)[NH+]1CCCCC1 ZINC001690650903 1404681957 /nfs/dbraw/zinc/68/19/57/1404681957.db2.gz TZQLZGUQDGJMRV-UYAOXDASSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](CNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CCC1=CCCCC1 ZINC001690650647 1404682240 /nfs/dbraw/zinc/68/22/40/1404682240.db2.gz OLNVRQQIGFAPMD-QGZVFWFLSA-N 2 0 343.515 3.347 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001690708760 1404694702 /nfs/dbraw/zinc/69/47/02/1404694702.db2.gz XBMVLYKMDFLQDC-MOPGFXCFSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001690708763 1404694708 /nfs/dbraw/zinc/69/47/08/1404694708.db2.gz XBMVLYKMDFLQDC-RTBURBONSA-N 2 0 347.547 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H](NC(=O)CCCC[NH+]2CCCC2)C1 ZINC001690790572 1404736718 /nfs/dbraw/zinc/73/67/18/1404736718.db2.gz OPSGODYSNBWQSX-MOPGFXCFSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@H](CCNC(=O)CC[NH+]1CCCCC1)[NH2+]CC1CCC(C)CC1 ZINC001690881634 1404795421 /nfs/dbraw/zinc/79/54/21/1404795421.db2.gz YLNIHUPHJKLPRL-JLAWEPINSA-N 2 0 337.552 3.173 10 0 EGAERP C[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CCC2CCCC2)CC1 ZINC001690907811 1404817348 /nfs/dbraw/zinc/81/73/48/1404817348.db2.gz PXCPHKWYKSYSTO-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C)[NH+]1CCCCCC1)CC1CC2(CCC2)C1 ZINC001691043624 1404954743 /nfs/dbraw/zinc/95/47/43/1404954743.db2.gz SOPYNLMXSQHWDB-GOSISDBHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCC[C@H]1CNC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001691090022 1405025516 /nfs/dbraw/zinc/02/55/16/1405025516.db2.gz ZQLHIGLHCBEMDJ-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H]1CC[NH+](CCC(C)C)C1)c1ccccc1 ZINC001691165932 1405101078 /nfs/dbraw/zinc/10/10/78/1405101078.db2.gz JDBJELIQHHEUNZ-AZUAARDMSA-N 2 0 345.531 3.164 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001691230860 1405170597 /nfs/dbraw/zinc/17/05/97/1405170597.db2.gz SIJDTDXHJISOLH-WOJBJXKFSA-N 2 0 347.547 3.164 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC1CCCCC1)[NH+](C)C ZINC001691410874 1405249517 /nfs/dbraw/zinc/24/95/17/1405249517.db2.gz VBJYRXSTRIIWKF-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001691428057 1405261746 /nfs/dbraw/zinc/26/17/46/1405261746.db2.gz IKOVIMLQTDGORY-HOJAQTOUSA-N 2 0 349.563 3.124 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@@H]2[C@H](NC(=O)C[N@@H+](C)CCC)C(C)(C)[C@H]21 ZINC001691429083 1405262872 /nfs/dbraw/zinc/26/28/72/1405262872.db2.gz UTYFDMKUKQFKQJ-QQEKUCNNSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691481982 1405295275 /nfs/dbraw/zinc/29/52/75/1405295275.db2.gz XMAIXARSKIHTRP-LFGUQSLTSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)C2CCCCC2)CC[N@@H+]1CC1CC1 ZINC001691490710 1405299338 /nfs/dbraw/zinc/29/93/38/1405299338.db2.gz GBWRWHVNTMDTNV-RBUKOAKNSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001691622973 1405362782 /nfs/dbraw/zinc/36/27/82/1405362782.db2.gz GPJRDESZVFJBAH-VQIMIIECSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)C1CCN(C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001691667666 1405401208 /nfs/dbraw/zinc/40/12/08/1405401208.db2.gz XTZDXSIZQVODPB-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001691692612 1405426905 /nfs/dbraw/zinc/42/69/05/1405426905.db2.gz QWPIXCFMVJDJAW-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001691823770 1405540462 /nfs/dbraw/zinc/54/04/62/1405540462.db2.gz WMAYASJAFIRYRL-RBUKOAKNSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)CC[N@H+](C)CC)C2)CC1 ZINC001691960214 1405677553 /nfs/dbraw/zinc/67/75/53/1405677553.db2.gz MYINKZUVLAWDLM-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H]2CCC[NH+]2CC(C)C)C1 ZINC001691968999 1405685121 /nfs/dbraw/zinc/68/51/21/1405685121.db2.gz SNJHISFIAOPQPW-SLVIYJBESA-N 2 0 349.563 3.243 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001692022617 1405740541 /nfs/dbraw/zinc/74/05/41/1405740541.db2.gz CKRSKQVGNUNLRK-AATRIKPKSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]2C[NH+](CCCC(C)C)CC[C@@H]2C1 ZINC001692064588 1405757128 /nfs/dbraw/zinc/75/71/28/1405757128.db2.gz QRMPOUCBWZCVOO-AABGKKOBSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1Cc1csc(C)c1 ZINC001692189289 1405830351 /nfs/dbraw/zinc/83/03/51/1405830351.db2.gz YBUTZMGRMMBDPQ-DLBZAZTESA-N 2 0 349.544 3.010 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)CC(C)(C)C1 ZINC001692280456 1405916227 /nfs/dbraw/zinc/91/62/27/1405916227.db2.gz WPCDAWWCFFEVHB-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+]3CCC(C)CC3)C[C@@H]2C1 ZINC001692286005 1405920242 /nfs/dbraw/zinc/92/02/42/1405920242.db2.gz JRRNGGJKGVTILX-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC2CCCCC2)C1 ZINC001692336147 1405956564 /nfs/dbraw/zinc/95/65/64/1405956564.db2.gz HKDZZKKQQKUUTO-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)CC[N@H+](CCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C1CC1 ZINC001731878199 1428145749 /nfs/dbraw/zinc/14/57/49/1428145749.db2.gz VFVANKJPUCSKKC-ROUUACIJSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001692366518 1405976723 /nfs/dbraw/zinc/97/67/23/1405976723.db2.gz BSRNLSRGYPSABB-SLFFLAALSA-N 2 0 347.547 3.259 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC[NH+](C(C)C)CC1 ZINC001692380291 1405987041 /nfs/dbraw/zinc/98/70/41/1405987041.db2.gz OAHHUGUPBDEQRN-XOUUWWQPSA-N 2 0 347.547 3.138 10 0 EGAERP CCN(C(=O)CCCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001698588626 1406208852 /nfs/dbraw/zinc/20/88/52/1406208852.db2.gz RNTGADIZDVLRGQ-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCCC1 ZINC001698602681 1406229037 /nfs/dbraw/zinc/22/90/37/1406229037.db2.gz NATSHWASMJXNDM-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)(C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1)[NH+]1CCCC1 ZINC001732021335 1428238788 /nfs/dbraw/zinc/23/87/88/1428238788.db2.gz FIGLLWSJGSDXFL-LJQANCHMSA-N 2 0 343.515 3.108 10 0 EGAERP CCCN(C(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)[C@H]1CC[N@H+](CCC)C1 ZINC001732036676 1428258250 /nfs/dbraw/zinc/25/82/50/1428258250.db2.gz HLNXRUQYULKRRZ-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2C)C1 ZINC001732080522 1428334984 /nfs/dbraw/zinc/33/49/84/1428334984.db2.gz UQLUKEFYTXTHHZ-RBUKOAKNSA-N 2 0 345.531 3.321 10 0 EGAERP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001732133043 1428379530 /nfs/dbraw/zinc/37/95/30/1428379530.db2.gz BZLCODAWYWJYDX-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[NH+]1CC(CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001732133045 1428379735 /nfs/dbraw/zinc/37/97/35/1428379735.db2.gz BZLCODAWYWJYDX-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)NCC1C[NH+](CC2CCC3(CC3)CC2)C1)[NH+](CC)CC ZINC001732135441 1428381691 /nfs/dbraw/zinc/38/16/91/1428381691.db2.gz WJMBONFVKKODRL-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@H]1CC[N@@H+]([C@@H](C)c2ccc(F)cc2)C1 ZINC001732190189 1428442125 /nfs/dbraw/zinc/44/21/25/1428442125.db2.gz QEVAEHBPUVCACD-LPHOPBHVSA-N 2 0 349.494 3.150 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201898 1428452362 /nfs/dbraw/zinc/45/23/62/1428452362.db2.gz SCUJFXPVBICKMW-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+](CCC)C2)C1 ZINC001732282805 1428513373 /nfs/dbraw/zinc/51/33/73/1428513373.db2.gz VUSQVAWAAAKYAZ-OALUTQOASA-N 2 0 337.552 3.127 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001732299827 1428518946 /nfs/dbraw/zinc/51/89/46/1428518946.db2.gz TUPDNBNRLZXOGB-SFHVURJKSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCc1ccc(C[NH2+]CCC2CC2)cc1 ZINC001732318830 1428529048 /nfs/dbraw/zinc/52/90/48/1428529048.db2.gz RYOIOSTWHHGTRQ-HXUWFJFHSA-N 2 0 343.515 3.067 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001732397571 1428564563 /nfs/dbraw/zinc/56/45/63/1428564563.db2.gz QAXNMUGUIVHZBN-RBUKOAKNSA-N 2 0 349.563 3.458 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C)N(C)C(=O)CC[NH+](C)C)c1ccc(Cl)cc1 ZINC001732435926 1428579668 /nfs/dbraw/zinc/57/96/68/1428579668.db2.gz KGLVQRYBAZRIPX-PBHICJAKSA-N 2 0 339.911 3.179 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001732441674 1428582437 /nfs/dbraw/zinc/58/24/37/1428582437.db2.gz BJXSTMKGXSABPT-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H](CC(C)C)NC(=O)C[NH+]1CCCC1 ZINC001732470440 1428599142 /nfs/dbraw/zinc/59/91/42/1428599142.db2.gz CQEUIKFNPXAEFG-RTBURBONSA-N 2 0 345.531 3.272 10 0 EGAERP CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001732477658 1428603713 /nfs/dbraw/zinc/60/37/13/1428603713.db2.gz PRVYQSDXHMRXAZ-UXHICEINSA-N 2 0 349.563 3.458 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@H]1C ZINC001732497822 1428619728 /nfs/dbraw/zinc/61/97/28/1428619728.db2.gz FKUCBVPTONRJQJ-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@H](C)NC(=O)C2CC[NH+](C(C)C)CC2)cc1 ZINC001699147148 1412535166 /nfs/dbraw/zinc/53/51/66/1412535166.db2.gz BMSXJPXPUYUOCD-SFHVURJKSA-N 2 0 345.531 3.100 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cccc(F)c1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001699186223 1412560159 /nfs/dbraw/zinc/56/01/59/1412560159.db2.gz DNXXNHOAQNMARQ-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699208587 1412575072 /nfs/dbraw/zinc/57/50/72/1412575072.db2.gz XFMABZCAXZOLND-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)cc(C)c1)C(=O)CC[NH+]1CCCCC1 ZINC001699219520 1412584162 /nfs/dbraw/zinc/58/41/62/1412584162.db2.gz CZCFOPSVIPAAGX-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP Cc1c(C(=O)NC/C=C/C[NH2+]C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001699278228 1412611775 /nfs/dbraw/zinc/61/17/75/1412611775.db2.gz VSDXDLOWDANHJG-SQRWCISFSA-N 2 0 342.487 3.201 10 0 EGAERP Cc1c(C(=O)NC/C=C\C[NH2+]C[C@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001699278227 1412611959 /nfs/dbraw/zinc/61/19/59/1412611959.db2.gz VSDXDLOWDANHJG-OGZRUICASA-N 2 0 342.487 3.201 10 0 EGAERP Cc1c(C(=O)NC/C=C\C[NH2+]C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001699278226 1412611969 /nfs/dbraw/zinc/61/19/69/1412611969.db2.gz VSDXDLOWDANHJG-KJPDOMRESA-N 2 0 342.487 3.201 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699380212 1412688839 /nfs/dbraw/zinc/68/88/39/1412688839.db2.gz DCKULLJNZIYDLR-DNVCBOLYSA-N 2 0 343.531 3.120 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)NC(=O)CC[NH+](C)C)c1ccc(Cl)cc1Cl ZINC001699418868 1412732977 /nfs/dbraw/zinc/73/29/77/1412732977.db2.gz LPCHBEKEWABRNL-NWDGAFQWSA-N 2 0 346.302 3.100 10 0 EGAERP C[C@@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001699443819 1412775115 /nfs/dbraw/zinc/77/51/15/1412775115.db2.gz BCYWHUOSTVWWJO-PXNSSMCTSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)CCC[NH+]1CCCC1 ZINC001699487617 1412883758 /nfs/dbraw/zinc/88/37/58/1412883758.db2.gz MAQIEKWLWARRQP-RBUKOAKNSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@@H]1CN(C(=O)CC[N@H+](C)CC)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001699605351 1412968540 /nfs/dbraw/zinc/96/85/40/1412968540.db2.gz IJFAGNCOLJWTJQ-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C2(CNC(=O)CCC[NH+]3CCCC3)CC2)c1 ZINC001699670181 1413059712 /nfs/dbraw/zinc/05/97/12/1413059712.db2.gz HYQUGGQFHSHODN-SFHVURJKSA-N 2 0 343.515 3.170 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](C2CCN(C(=O)[C@@H]3CC[NH+](C)[C@@H]3C)CC2)C1 ZINC001699677379 1413072451 /nfs/dbraw/zinc/07/24/51/1413072451.db2.gz RIZCEDIYSJPEDR-YZGWKJHDSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CC[NH+]1CCC2(CCN(C(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001699699277 1413111741 /nfs/dbraw/zinc/11/17/41/1413111741.db2.gz BECMXUJUPZMKDE-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCC[NH2+]C[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001732543413 1428704411 /nfs/dbraw/zinc/70/44/11/1428704411.db2.gz KUWSSAMGAVDMFB-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001699744467 1413155205 /nfs/dbraw/zinc/15/52/05/1413155205.db2.gz VROZEGAUWINOAI-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001699751558 1413159400 /nfs/dbraw/zinc/15/94/00/1413159400.db2.gz YTXGDYVQOPQNCW-HMTUNPETSA-N 2 0 335.536 3.186 10 0 EGAERP CC1CCC(C[NH2+]C[C@H]2CCCN2C(=O)CCCC[NH+](C)C)CC1 ZINC001699762274 1413167960 /nfs/dbraw/zinc/16/79/60/1413167960.db2.gz PDTLJMXSPUAGHZ-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001699766029 1413171235 /nfs/dbraw/zinc/17/12/35/1413171235.db2.gz CGAZQNXGAZZWQT-RBUKOAKNSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CC1CCCCC1)C1CCCC1 ZINC001699796538 1413205537 /nfs/dbraw/zinc/20/55/37/1413205537.db2.gz VDQGMKZIRATMST-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCC1CCCCC1 ZINC001699803604 1413215580 /nfs/dbraw/zinc/21/55/80/1413215580.db2.gz BDAXQHARBXQBCX-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001699838446 1413266885 /nfs/dbraw/zinc/26/68/85/1413266885.db2.gz UFNBAFFKMSQRCX-CTNGQTDRSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@]1(C[NH2+]CCC2CCCCCC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699856565 1413287743 /nfs/dbraw/zinc/28/77/43/1413287743.db2.gz PYVFUCDSFBWQMP-OAQYLSRUSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@](C)(CNC(=O)C23CCC[NH+]2CCC3)C1 ZINC001699867899 1413309736 /nfs/dbraw/zinc/30/97/36/1413309736.db2.gz GMYHHQZUPPKVCB-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001732545153 1428719975 /nfs/dbraw/zinc/71/99/75/1428719975.db2.gz SPNYREYDQGUIKR-CFPAGDMOSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)c1ccccc1CC ZINC001699933342 1413375735 /nfs/dbraw/zinc/37/57/35/1413375735.db2.gz KXJDCZQMNYIJHT-WOJBJXKFSA-N 2 0 345.531 3.280 10 0 EGAERP CCC[NH2+]CCN(Cc1ccccc1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001699984218 1413430750 /nfs/dbraw/zinc/43/07/50/1413430750.db2.gz ABOFSBXCTVCKOS-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[NH+]2CC1CCCCCC1 ZINC001700017563 1413463857 /nfs/dbraw/zinc/46/38/57/1413463857.db2.gz PHKYQNRTVPITCH-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](C(=O)N(C)CCC[N@H+](C)Cc1c(C)cc(C)cc1C)[NH+](C)C ZINC001700194193 1413630300 /nfs/dbraw/zinc/63/03/00/1413630300.db2.gz LOCTWEJQSPHMIO-HXUWFJFHSA-N 2 0 347.547 3.232 10 0 EGAERP CCC1([NH2+]CCCC2CCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC001700217529 1413661484 /nfs/dbraw/zinc/66/14/84/1413661484.db2.gz OJOVGQCRQWHYAH-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC(CC)([NH2+]CCF)CC1)c1ccccc1 ZINC001700221994 1413669902 /nfs/dbraw/zinc/66/99/02/1413669902.db2.gz IHBPOTYNNCVSEH-GOSISDBHSA-N 2 0 349.494 3.010 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@]2(CC[NH+](CCC3CC3)C2)C1)CC(C)(C)C ZINC001700227990 1413683053 /nfs/dbraw/zinc/68/30/53/1413683053.db2.gz BDHJDUREYGMLJU-OAQYLSRUSA-N 2 0 349.563 3.079 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001700228744 1413685858 /nfs/dbraw/zinc/68/58/58/1413685858.db2.gz FHEWUUHFGLITCQ-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001700229151 1413686779 /nfs/dbraw/zinc/68/67/79/1413686779.db2.gz IJUJZNDKEKZADA-BVUSGXHMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCC2)C(C)(C)C1 ZINC001700293669 1413751172 /nfs/dbraw/zinc/75/11/72/1413751172.db2.gz HUFNYYQXTDGRJJ-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+][C@@H]1CCCc2ccccc21 ZINC001700326142 1413795891 /nfs/dbraw/zinc/79/58/91/1413795891.db2.gz HBWXNLPLVHYAHR-DBVUQKKJSA-N 2 0 343.515 3.033 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001700366234 1413891094 /nfs/dbraw/zinc/89/10/94/1413891094.db2.gz SZTIATBWHNPVGL-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C/c1ccccc1 ZINC001700461656 1414061629 /nfs/dbraw/zinc/06/16/29/1414061629.db2.gz AJABRHZILJSWKV-YBGNTVOFSA-N 2 0 343.515 3.009 10 0 EGAERP C[C@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[N@H+](C)CCC(C)(C)C ZINC001700482111 1414121906 /nfs/dbraw/zinc/12/19/06/1414121906.db2.gz XCJMRRYGQQZUOJ-MRXNPFEDSA-N 2 0 333.520 3.235 10 0 EGAERP CCc1cccc(C[NH+](C)[C@H](C)CNC(=O)[C@@H]2CCCC[N@H+]2CC)c1 ZINC001700487624 1414135627 /nfs/dbraw/zinc/13/56/27/1414135627.db2.gz MJPZCJWGRQPDIA-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[NH2+][C@H](CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001700505866 1414153619 /nfs/dbraw/zinc/15/36/19/1414153619.db2.gz HHZUNZXTYWTKOF-MSOLQXFVSA-N 2 0 325.541 3.120 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001700508023 1414155898 /nfs/dbraw/zinc/15/58/98/1414155898.db2.gz XUERPTMOZKSIID-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)C[N@@H+]2CC[C@H](C)C2)CCCCC1 ZINC001700514384 1414165139 /nfs/dbraw/zinc/16/51/39/1414165139.db2.gz QDRXYOZVBOXKMB-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001700677302 1414332159 /nfs/dbraw/zinc/33/21/59/1414332159.db2.gz CSUBKPLAKHPPNU-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@H](CCNC(=O)[C@@H]2CCC[N@@H+]2C)C(C)C)c1 ZINC001700710841 1414367028 /nfs/dbraw/zinc/36/70/28/1414367028.db2.gz IDKQOFLCBVNSPN-UXHICEINSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)C(C)(C)[NH+]1CCCC1)c1cccc(F)c1 ZINC001700758377 1414431132 /nfs/dbraw/zinc/43/11/32/1414431132.db2.gz ABHJFQZIOMYQQX-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700769002 1414445942 /nfs/dbraw/zinc/44/59/42/1414445942.db2.gz UORPWRMRIXVSTM-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001700780974 1414462897 /nfs/dbraw/zinc/46/28/97/1414462897.db2.gz QJOJZSSYRZZYJT-ADRWGQEASA-N 2 0 343.515 3.011 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CC2CC3(CCC3)C2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001700822085 1414478698 /nfs/dbraw/zinc/47/86/98/1414478698.db2.gz ISPUVVUXDJZFAW-AEFFLSMTSA-N 2 0 349.563 3.124 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700826048 1414481452 /nfs/dbraw/zinc/48/14/52/1414481452.db2.gz JHCLIPOVSNJNEY-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@H]1C ZINC001700831348 1414485222 /nfs/dbraw/zinc/48/52/22/1414485222.db2.gz YDLMVOLTCSSMPH-YLJYHZDGSA-N 2 0 345.531 3.231 10 0 EGAERP CC(C)CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001700841694 1414491824 /nfs/dbraw/zinc/49/18/24/1414491824.db2.gz LSTUWRKRAGTXMM-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@H]12 ZINC001700867250 1414519952 /nfs/dbraw/zinc/51/99/52/1414519952.db2.gz QIRNGXGYWWEJJX-AZUAARDMSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)cc1 ZINC001700906024 1414560780 /nfs/dbraw/zinc/56/07/80/1414560780.db2.gz IKZJFTNOEYVXJV-QUCCMNQESA-N 2 0 343.515 3.036 10 0 EGAERP CCCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)(C)C ZINC001700987077 1414629249 /nfs/dbraw/zinc/62/92/49/1414629249.db2.gz FZTQZFNNKVFWSG-ROUUACIJSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]Cc1ccccc1)C(C)(C)C ZINC001701001865 1414655511 /nfs/dbraw/zinc/65/55/11/1414655511.db2.gz UKXNFBNGZQMQRI-RBUKOAKNSA-N 2 0 345.531 3.182 10 0 EGAERP CC(C)CC[NH2+]C1CC(N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001701021179 1414681516 /nfs/dbraw/zinc/68/15/16/1414681516.db2.gz BIUMBSYQYHIIRY-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)C1CC([NH2+]Cc2c(C)cc(C)cc2C)C1 ZINC001701025246 1414686771 /nfs/dbraw/zinc/68/67/71/1414686771.db2.gz ONBFTAJBIWFTJB-UHFFFAOYSA-N 2 0 345.531 3.033 10 0 EGAERP CC[C@H](C(=O)NC1(C2CC[NH+](CC=C(C)C)CC2)CC1)[NH+](CC)CC ZINC001701030494 1414692832 /nfs/dbraw/zinc/69/28/32/1414692832.db2.gz OALNPEDMICBYSJ-LJQANCHMSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+][C@H](C)c1ccccc1F ZINC001732941911 1429065835 /nfs/dbraw/zinc/06/58/35/1429065835.db2.gz HPPZSDOLSFCZBJ-ZUZVGCLLSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[NH2+]CCC1=CCCCC1 ZINC001707142453 1417220332 /nfs/dbraw/zinc/22/03/32/1417220332.db2.gz NMVPYZCVSQPHTC-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)[C@@H]1CC[NH2+]CCC1CC1 ZINC001707147933 1417222358 /nfs/dbraw/zinc/22/23/58/1417222358.db2.gz YKTQMFISAHLOCC-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+](C)C ZINC001707182512 1417233209 /nfs/dbraw/zinc/23/32/09/1417233209.db2.gz AYERMIZZMQGXEQ-LPQJXXGMSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[NH+](CC3CCC3)[C@H]2C1(C)C ZINC001707187973 1417236723 /nfs/dbraw/zinc/23/67/23/1417236723.db2.gz QTEUGZSVYORFDW-DFQSSKMNSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001707233710 1417254943 /nfs/dbraw/zinc/25/49/43/1417254943.db2.gz JFDJHINXFQGTTF-SFHVURJKSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001707238010 1417258374 /nfs/dbraw/zinc/25/83/74/1417258374.db2.gz LAQKDSDMUNNCTP-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCCCN(C(=O)CCc2c[nH]cn2)C1 ZINC001707239018 1417259599 /nfs/dbraw/zinc/25/95/99/1417259599.db2.gz VDSZEAJZFFOCKB-PXPVJAHISA-N 2 0 346.519 3.450 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H]2CCCCCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001707239355 1417259697 /nfs/dbraw/zinc/25/96/97/1417259697.db2.gz PMMIRCSNPRTARO-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP C[C@@H](C[N@H+](C)CCCC1CCCC1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001733042116 1429171023 /nfs/dbraw/zinc/17/10/23/1429171023.db2.gz TYNJVDDTCLNAMA-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001707279514 1417287295 /nfs/dbraw/zinc/28/72/95/1417287295.db2.gz ZLEGMTANUFHENZ-ZBWOGFRMSA-N 2 0 349.563 3.388 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1cccc(C)c1 ZINC001707424894 1417331720 /nfs/dbraw/zinc/33/17/20/1417331720.db2.gz ZGASKGNINMZDGM-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1CCCCC1 ZINC001707452466 1417356184 /nfs/dbraw/zinc/35/61/84/1417356184.db2.gz QBVRFIPZGQVXCC-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CCC(C)(C)C ZINC001707463615 1417364978 /nfs/dbraw/zinc/36/49/78/1417364978.db2.gz AXJFKHNDOBBOEN-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(C[C@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001713098584 1417648858 /nfs/dbraw/zinc/64/88/58/1417648858.db2.gz QYSZMKBYWBOGHP-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+](C)C[C@H](C)NC(=O)C2CC[NH+](C)CC2)c1 ZINC001733056708 1429200648 /nfs/dbraw/zinc/20/06/48/1429200648.db2.gz UOICZQLCPZIRAZ-ROUUACIJSA-N 2 0 345.531 3.143 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001713136121 1417717334 /nfs/dbraw/zinc/71/73/34/1417717334.db2.gz YDNFBGXEKWQSKQ-SFHVURJKSA-N 2 0 339.568 3.325 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]Cc2cc(C)ccc2C)C1)[NH+](CC)CC ZINC001713149856 1417729992 /nfs/dbraw/zinc/72/99/92/1417729992.db2.gz UKOOROGVEBECLO-PMACEKPBSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCC3=CCCCC3)CC[C@@H]21 ZINC001713180960 1417755836 /nfs/dbraw/zinc/75/58/36/1417755836.db2.gz BCEIXWBRZCFIEX-PMACEKPBSA-N 2 0 347.547 3.142 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001713216179 1417792331 /nfs/dbraw/zinc/79/23/31/1417792331.db2.gz AJTBPMSFCMWFAP-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239358 1417825587 /nfs/dbraw/zinc/82/55/87/1417825587.db2.gz SQVCQKPLCSQIJG-UYAOXDASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001713253116 1417846724 /nfs/dbraw/zinc/84/67/24/1417846724.db2.gz NFTVIMRFJKUJQF-SJORKVTESA-N 2 0 343.531 3.073 10 0 EGAERP CC[NH+](CC)C[C@H](F)C(=O)NC[C@@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001713253115 1417846908 /nfs/dbraw/zinc/84/69/08/1417846908.db2.gz NFTVIMRFJKUJQF-IRXDYDNUSA-N 2 0 343.531 3.073 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)C[NH+]1CCC(C)CC1 ZINC001713256449 1417856430 /nfs/dbraw/zinc/85/64/30/1417856430.db2.gz GVSGVHMWIQNPEJ-KKHYBRAUSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[C@@H](C(=O)N1CC[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001713365512 1417978408 /nfs/dbraw/zinc/97/84/08/1417978408.db2.gz KPEQATGCGURGIC-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713379024 1417989431 /nfs/dbraw/zinc/98/94/31/1417989431.db2.gz MWZKAMGKMYLPOE-HNGSOEQISA-N 2 0 337.552 3.338 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CCCC1CCCC1 ZINC001713427960 1418055674 /nfs/dbraw/zinc/05/56/74/1418055674.db2.gz NZPOHFCJSHQMOB-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H](c1ccc(Cl)cc1)[N@H+](C)CCNC(=O)C[NH+](C)C(C)C ZINC001713478362 1418161896 /nfs/dbraw/zinc/16/18/96/1418161896.db2.gz YULHDLVPPLUUCC-KRWDZBQOSA-N 2 0 339.911 3.179 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CC2(CCC2)C1 ZINC001713494349 1418197901 /nfs/dbraw/zinc/19/79/01/1418197901.db2.gz SDRWSRRCKKQOSX-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001713517540 1418254625 /nfs/dbraw/zinc/25/46/25/1418254625.db2.gz MBVRTSAHEQGFGD-IAGOWNOFSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001713529527 1418277570 /nfs/dbraw/zinc/27/75/70/1418277570.db2.gz MJZFKODWXWUDPS-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[NH2+]CCCN(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001733112299 1429247563 /nfs/dbraw/zinc/24/75/63/1429247563.db2.gz MHNNEFXIVAMNSW-UHFFFAOYSA-N 2 0 330.476 3.131 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1CC(C)(C)C1 ZINC001713552016 1418336713 /nfs/dbraw/zinc/33/67/13/1418336713.db2.gz JVKFLSPOBCGUKN-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CCC2CCCCC2)C2CC2)CC[N@@H+]1C ZINC001713557346 1418350961 /nfs/dbraw/zinc/35/09/61/1418350961.db2.gz PCYBTXTXDDTLFA-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CN(CC[NH2+]CCC1CCCC1)C(=O)c1sccc1C[NH+](C)C ZINC001713597210 1418387643 /nfs/dbraw/zinc/38/76/43/1418387643.db2.gz VDCLFUUJBDXDEN-UHFFFAOYSA-N 2 0 337.533 3.052 10 0 EGAERP CN(CC[NH2+]CCC1CCCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001713604183 1418390704 /nfs/dbraw/zinc/39/07/04/1418390704.db2.gz CFNXSDJIRYGDGO-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC([C@H](C)[NH2+]CCC2CC2)CC1 ZINC001713676296 1418428265 /nfs/dbraw/zinc/42/82/65/1418428265.db2.gz BQCPMBRCARQBIS-FXAWDEMLSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001713732000 1418520109 /nfs/dbraw/zinc/52/01/09/1418520109.db2.gz WPSKFQPMUGOAKS-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC1(C)CCC(C[N@@H+]2CC[C@@H](CCNC(=O)C[NH+]3CCCC3)C2)CC1 ZINC001713740375 1418541453 /nfs/dbraw/zinc/54/14/53/1418541453.db2.gz RNSRDSQFPKZFDS-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H](C[NH+](C)CCC2CCCCC2)C1 ZINC001713757264 1418562559 /nfs/dbraw/zinc/56/25/59/1418562559.db2.gz GDLGSAAGJBEJDW-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](CCC(C)(C)C)C1CC1 ZINC001713775744 1418591301 /nfs/dbraw/zinc/59/13/01/1418591301.db2.gz PWGZOGUVYVCJLI-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H](CNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001713869545 1418666300 /nfs/dbraw/zinc/66/63/00/1418666300.db2.gz ZZRJPIGSIUWKIG-GOSISDBHSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001714006282 1418785961 /nfs/dbraw/zinc/78/59/61/1418785961.db2.gz KMXLGPMAWYEGKH-RURPWVQCSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001714013909 1418792979 /nfs/dbraw/zinc/79/29/79/1418792979.db2.gz QFDDEODFAHKATD-RTBURBONSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001714048670 1418846755 /nfs/dbraw/zinc/84/67/55/1418846755.db2.gz ITCSKFGKUUMBEU-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186788 1429288611 /nfs/dbraw/zinc/28/86/11/1429288611.db2.gz ZVBSATJJLWDAJZ-ROUUACIJSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001714076856 1418871236 /nfs/dbraw/zinc/87/12/36/1418871236.db2.gz CAFIRPLUXXAJMS-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@H](C[NH2+]CCC3CCCCC3)C2)CC1 ZINC001714078047 1418872667 /nfs/dbraw/zinc/87/26/67/1418872667.db2.gz ABTLIKGUUJFIGL-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714143335 1418945849 /nfs/dbraw/zinc/94/58/49/1418945849.db2.gz AREDQGDKVFDNMJ-OALUTQOASA-N 2 0 337.552 3.364 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)C[N@@H+](C)C(C)C)CCCC2)c1 ZINC001714152676 1418959905 /nfs/dbraw/zinc/95/99/05/1418959905.db2.gz YGAQQMDLIOQORM-GOSISDBHSA-N 2 0 345.531 3.415 10 0 EGAERP C[C@H](NC(=O)CCCC[NH+](C)C)[C@H]1CCC[N@H+](CC2=CCCCC2)C1 ZINC001714155721 1418965969 /nfs/dbraw/zinc/96/59/69/1418965969.db2.gz JURSPJOMXWEKDH-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001714156831 1418967272 /nfs/dbraw/zinc/96/72/72/1418967272.db2.gz QESSNCBOEQXZRB-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001733198353 1429300675 /nfs/dbraw/zinc/30/06/75/1429300675.db2.gz KJWUNFDOHBUTOD-RTBURBONSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001733198861 1429301779 /nfs/dbraw/zinc/30/17/79/1429301779.db2.gz MSIUMSKOADSZDD-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccc(C[NH2+]C/C=C/Cl)cc1 ZINC001714323926 1419102687 /nfs/dbraw/zinc/10/26/87/1419102687.db2.gz VECQAUTWDVEOBO-CZIMKVFHSA-N 2 0 349.906 3.019 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001714347108 1419117169 /nfs/dbraw/zinc/11/71/69/1419117169.db2.gz RZMRYUIENDMTNV-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CCC1CCCCC1 ZINC001714390157 1419138790 /nfs/dbraw/zinc/13/87/90/1419138790.db2.gz BYPOMYSYUWPCKF-MJGOQNOKSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714409765 1419149377 /nfs/dbraw/zinc/14/93/77/1419149377.db2.gz BYCWVWAGIUKBJR-OALUTQOASA-N 2 0 331.504 3.179 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001714418379 1419155756 /nfs/dbraw/zinc/15/57/56/1419155756.db2.gz YYTYDOVHZIBEPY-RBUKOAKNSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+](CC)CC ZINC001714449292 1419182184 /nfs/dbraw/zinc/18/21/84/1419182184.db2.gz QTXNTOMFICHXHL-PMACEKPBSA-N 2 0 345.531 3.230 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)CC2CCCC2)C1)[NH+](CC)CC ZINC001714449668 1419182705 /nfs/dbraw/zinc/18/27/05/1419182705.db2.gz YJKPQYPBUUCCHC-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@H+](CCCC(C)C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001714592521 1419340263 /nfs/dbraw/zinc/34/02/63/1419340263.db2.gz OHESIKODYIXPJW-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CC2CCCCCC2)C1 ZINC001714632205 1419403920 /nfs/dbraw/zinc/40/39/20/1419403920.db2.gz GNCCHRJHSRIZLP-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](CC1CCCC1)C1CC1)[NH+]1CCCCC1 ZINC001714676308 1419468825 /nfs/dbraw/zinc/46/88/25/1419468825.db2.gz PJXBZVAUMWMVGD-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001714772382 1419501689 /nfs/dbraw/zinc/50/16/89/1419501689.db2.gz OSOUPELAXWAYTA-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP 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ZINC001715019075 1419750141 /nfs/dbraw/zinc/75/01/41/1419750141.db2.gz ILBIJBWVMKMBPB-RTBURBONSA-N 2 0 345.531 3.239 10 0 EGAERP C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CC[C@@H]1[NH2+]CCCC(C)(C)C ZINC001715029873 1419762285 /nfs/dbraw/zinc/76/22/85/1419762285.db2.gz RZMDQUKBQLNOQG-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]Cc1c(C)cc(C)cc1C ZINC001715066854 1419803275 /nfs/dbraw/zinc/80/32/75/1419803275.db2.gz VOWQUMJWACCUSS-AZUAARDMSA-N 2 0 345.531 3.081 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1F ZINC001715076646 1419811179 /nfs/dbraw/zinc/81/11/79/1419811179.db2.gz VZWMGFLLTUIXSC-SJLPKXTDSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@@H](C)C[NH2+]CC1(NC(=O)C[N@H+](C)CC(C)(C)C)CCCC1 ZINC001715101237 1419841880 /nfs/dbraw/zinc/84/18/80/1419841880.db2.gz ZIPJAYSIHXKCNR-MRXNPFEDSA-N 2 0 325.541 3.029 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001715121716 1419866848 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CC(C)c1ccc(C[NH2+]CCCN(C)C(=O)C2CC[NH+](C)CC2)cc1 ZINC001716564894 1420761861 /nfs/dbraw/zinc/76/18/61/1420761861.db2.gz NPPATDQRDMRCRU-UHFFFAOYSA-N 2 0 345.531 3.090 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CC1 ZINC001716700855 1420853992 /nfs/dbraw/zinc/85/39/92/1420853992.db2.gz QWCMPXXALHRVIR-SFHVURJKSA-N 2 0 335.536 3.070 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001716705952 1420860009 /nfs/dbraw/zinc/86/00/09/1420860009.db2.gz IMHCYPBYIGQDJH-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)C(C)C ZINC001716712224 1420864904 /nfs/dbraw/zinc/86/49/04/1420864904.db2.gz APXRUXGSQHTOIK-ZSQQTYLHSA-N 2 0 335.536 3.138 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001716791172 1420924765 /nfs/dbraw/zinc/92/47/65/1420924765.db2.gz ZZXKWTGKVUJUEL-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)C[N@H+](C)C2CCC2)CC1 ZINC001716796160 1420928812 /nfs/dbraw/zinc/92/88/12/1420928812.db2.gz QGKHRXALMHPYNV-VOTSOKGWSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@H]1CCC[NH+]1CCC)C2 ZINC001716998204 1421067061 /nfs/dbraw/zinc/06/70/61/1421067061.db2.gz MEGUQWHETHSMPU-IYWMVGAKSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CC[C@H](CNC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001717004186 1421073195 /nfs/dbraw/zinc/07/31/95/1421073195.db2.gz ATAPAORLPFEMNE-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP CC[C@@H](c1ccccc1)[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+](C)C)[C@@H]2C1 ZINC001717042016 1421096042 /nfs/dbraw/zinc/09/60/42/1421096042.db2.gz CJHOMZZGVGSJHY-SLFFLAALSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)(C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001717093251 1421106335 /nfs/dbraw/zinc/10/63/35/1421106335.db2.gz LKSJFHJMJIGAPR-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111119 1421114791 /nfs/dbraw/zinc/11/47/91/1421114791.db2.gz MADZHKXTVQOOOG-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](C)c1ccc(CNC(=O)C2([NH+](C)C)CCC2)cc1 ZINC001717114729 1421118636 /nfs/dbraw/zinc/11/86/36/1421118636.db2.gz GGXJGBPMYKNUNY-DLBZAZTESA-N 2 0 345.531 3.484 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](CC1=CCCCC1)CC2 ZINC001717130088 1421131028 /nfs/dbraw/zinc/13/10/28/1421131028.db2.gz JYZWBXCTZDSMGQ-UHFFFAOYSA-N 2 0 347.547 3.143 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001717209204 1421181208 /nfs/dbraw/zinc/18/12/08/1421181208.db2.gz RNHYNTCQGOZOSU-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[C@H]3CC[NH+](C)C3)C2)C1 ZINC001733287350 1429462524 /nfs/dbraw/zinc/46/25/24/1429462524.db2.gz DEZILUGQYQOWOY-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001717304360 1421246027 /nfs/dbraw/zinc/24/60/27/1421246027.db2.gz CLZREKKLXAACOZ-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CCC[NH2+]C1(C)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001717304359 1421246113 /nfs/dbraw/zinc/24/61/13/1421246113.db2.gz CLZREKKLXAACOZ-QZTJIDSGSA-N 2 0 337.552 3.266 10 0 EGAERP CC[C@H](c1ccccc1)[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001717310916 1421254528 /nfs/dbraw/zinc/25/45/28/1421254528.db2.gz QAMFPNFCWCGIMJ-MOPGFXCFSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)CC1(C)C ZINC001717312596 1421258464 /nfs/dbraw/zinc/25/84/64/1421258464.db2.gz XRSATBFNKSBWCD-IBGZPJMESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[N@H+](C)C[C@@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001717376512 1421319202 /nfs/dbraw/zinc/31/92/02/1421319202.db2.gz SOECEFMSDXSRAM-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001717377140 1421319558 /nfs/dbraw/zinc/31/95/58/1421319558.db2.gz HRJDEZWZKAXXPR-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001717377141 1421319759 /nfs/dbraw/zinc/31/97/59/1421319759.db2.gz HRJDEZWZKAXXPR-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1C ZINC001717422377 1421352392 /nfs/dbraw/zinc/35/23/92/1421352392.db2.gz FPZPEDOWJSGTOF-ROUUACIJSA-N 2 0 345.531 3.161 10 0 EGAERP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001717432881 1421361026 /nfs/dbraw/zinc/36/10/26/1421361026.db2.gz MKOLCHGCHZWYAD-IRXDYDNUSA-N 2 0 349.563 3.172 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC(C)(C)C ZINC001717500479 1421443809 /nfs/dbraw/zinc/44/38/09/1421443809.db2.gz TWVSUDVJPWBMQC-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H](C)C[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001717552501 1421490123 /nfs/dbraw/zinc/49/01/23/1421490123.db2.gz JMNKPAPIWVSEQA-JKSUJKDBSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@@H](C)C1C[NH+](CCC(C)C)C1)c1ccccc1 ZINC001717560502 1421496796 /nfs/dbraw/zinc/49/67/96/1421496796.db2.gz SGRNCPGAQYRDNV-PXNSSMCTSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001717640679 1421546361 /nfs/dbraw/zinc/54/63/61/1421546361.db2.gz HGKDBYMZRRBCAU-LWYYNNOASA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H]2C[C@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001717650918 1421550614 /nfs/dbraw/zinc/55/06/14/1421550614.db2.gz JJQOSXXWIMFKLA-VAMGGRTRSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N[C@H]2C[C@H](C[NH2+]CCC(C)(C)C)C2)C1 ZINC001717650905 1421550798 /nfs/dbraw/zinc/55/07/98/1421550798.db2.gz IYZFRTWIEWSRHZ-XLAORIBOSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC(C)(C)C1 ZINC001717695334 1421569707 /nfs/dbraw/zinc/56/97/07/1421569707.db2.gz FOHRALSDRDFOEL-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CCCC1 ZINC001717719873 1421588287 /nfs/dbraw/zinc/58/82/87/1421588287.db2.gz QRPXRMCTLGEWJR-BHIYHBOVSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CCCC1CCCC1 ZINC001717758604 1421621749 /nfs/dbraw/zinc/62/17/49/1421621749.db2.gz YGTJGFPKPLTSHC-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@@H]12 ZINC001717841847 1421657023 /nfs/dbraw/zinc/65/70/23/1421657023.db2.gz VWURNJNSORIHPO-PORCLINASA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCCC[NH+]3CCCC3)C[C@H]21 ZINC001717846626 1421660928 /nfs/dbraw/zinc/66/09/28/1421660928.db2.gz OQCUBGGSOVVSRG-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001717893864 1421692286 /nfs/dbraw/zinc/69/22/86/1421692286.db2.gz IEOZKYMCDBLBIE-QZTJIDSGSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717953113 1421724169 /nfs/dbraw/zinc/72/41/69/1421724169.db2.gz XRBCAUWFHYMNOC-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C ZINC001717956156 1421727746 /nfs/dbraw/zinc/72/77/46/1421727746.db2.gz RTJFYMZBUQWPFT-HOTGVXAUSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001717979517 1421750545 /nfs/dbraw/zinc/75/05/45/1421750545.db2.gz IPSCOVIRAVNKQC-SNEMNWSOSA-N 2 0 349.563 3.290 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1CC[NH+](CCC(C)(C)C)CC1 ZINC001717980763 1421751984 /nfs/dbraw/zinc/75/19/84/1421751984.db2.gz KUWRXDBXTSKTCV-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CC[NH+]1CCC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001717984360 1421756774 /nfs/dbraw/zinc/75/67/74/1421756774.db2.gz VSDJSAJDEDUIKO-KRWDZBQOSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717994650 1421763180 /nfs/dbraw/zinc/76/31/80/1421763180.db2.gz NLXGESQIVIJAOZ-AATRIKPKSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001717996361 1421764522 /nfs/dbraw/zinc/76/45/22/1421764522.db2.gz ATZFTNBTYYFMJJ-ACBHZAAOSA-N 2 0 349.563 3.266 10 0 EGAERP O=C(CCc1c[nH]cn1)NCC1=CC[N@H+](CCCC2CCCC2)CC1 ZINC001718022056 1421777016 /nfs/dbraw/zinc/77/70/16/1421777016.db2.gz HQOXUBDAECBXNQ-UHFFFAOYSA-N 2 0 344.503 3.061 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)Cc2c[nH]cn2)CC1 ZINC001733453147 1429666563 /nfs/dbraw/zinc/66/65/63/1429666563.db2.gz UXJRVOVEXGYQLZ-OSJSJHBBSA-N 2 0 346.519 3.163 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001733457437 1429676852 /nfs/dbraw/zinc/67/68/52/1429676852.db2.gz DKCLHMKQWNYWSA-RTVDBWQISA-N 2 0 349.563 3.434 10 0 EGAERP CCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001733458537 1429679874 /nfs/dbraw/zinc/67/98/74/1429679874.db2.gz MLMQHFMCEFGGAW-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1cc(C)ccc1C ZINC001723037566 1424291111 /nfs/dbraw/zinc/29/11/11/1424291111.db2.gz TZFVOEHRCGSGFX-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@H]([NH2+]CCCN(C)C(=O)C12CCC[NH+]1CCC2)c1ccccc1 ZINC001723062499 1424294939 /nfs/dbraw/zinc/29/49/39/1424294939.db2.gz BVMOTFAVLXQYJJ-IBGZPJMESA-N 2 0 343.515 3.204 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1F ZINC001723158276 1424311085 /nfs/dbraw/zinc/31/10/85/1424311085.db2.gz XALBONOFBGGAKR-QGZVFWFLSA-N 2 0 349.494 3.057 10 0 EGAERP CCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001723606322 1424485403 /nfs/dbraw/zinc/48/54/03/1424485403.db2.gz DVPFGVJTFAYALJ-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)C[N@@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001723608332 1424489131 /nfs/dbraw/zinc/48/91/31/1424489131.db2.gz QFFUIDNSUVCQCM-UXHICEINSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001723609023 1424491039 /nfs/dbraw/zinc/49/10/39/1424491039.db2.gz NMIDRAMCJWRBHD-YJJPMGAVSA-N 2 0 349.563 3.245 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C2CCN(C(=O)[C@@H](CC)[NH+](CC)CC)CC2)C1 ZINC001723610019 1424492982 /nfs/dbraw/zinc/49/29/82/1424492982.db2.gz SYFUPQWLXIADOR-RTBURBONSA-N 2 0 337.552 3.077 10 0 EGAERP CN(C(=O)C(C)(C)[N@H+](C)C1CCCC1)C1C[NH+](CCC(C)(C)C)C1 ZINC001723776466 1424563396 /nfs/dbraw/zinc/56/33/96/1424563396.db2.gz UPFFGYCORXDHFG-UHFFFAOYSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)C[NH2+][C@H](C)[C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001733529447 1429736325 /nfs/dbraw/zinc/73/63/25/1429736325.db2.gz UPNWSTUKPWGTMK-IAGOWNOFSA-N 2 0 337.552 3.122 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CC2CC3(CCC3)C2)C[C@@H]1C ZINC001723873836 1424594183 /nfs/dbraw/zinc/59/41/83/1424594183.db2.gz JGXIAIUTMOCXMC-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001723919684 1424604672 /nfs/dbraw/zinc/60/46/72/1424604672.db2.gz QCKRWLBAYXJEAX-PMACEKPBSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC1(C)CC[NH+](C[C@@H]2CC[C@@H]3C[C@@H]3C2)CC1 ZINC001724024034 1424632853 /nfs/dbraw/zinc/63/28/53/1424632853.db2.gz VOAZGHUMJFYFJE-QRVBRYPASA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@H](C[NH2+]CC2CC(C)(C)C2)C2CCCC2)C1 ZINC001724104140 1424666284 /nfs/dbraw/zinc/66/62/84/1424666284.db2.gz VHTLRFFQRFUTEX-VQIMIIECSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([C@@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001733536445 1429742407 /nfs/dbraw/zinc/74/24/07/1429742407.db2.gz TUSGKQCNEPNOKL-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@]2(C)CC[N@H+](CCC3CCCCC3)C2)CC1 ZINC001724176003 1424711930 /nfs/dbraw/zinc/71/19/30/1424711930.db2.gz RYSKLLXMCRTWEF-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001724222041 1424740560 /nfs/dbraw/zinc/74/05/60/1424740560.db2.gz FCDWLFOHZBUMSO-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@]2(C)CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724244122 1424752643 /nfs/dbraw/zinc/75/26/43/1424752643.db2.gz JGJAEXAJCYOYTJ-NQIIRXRSSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001724706554 1425063253 /nfs/dbraw/zinc/06/32/53/1425063253.db2.gz HUZABXJDKIEOEB-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+]CCN(Cc1ccccc1)C(=O)C12CCC[NH+]1CCC2 ZINC001733570639 1429774051 /nfs/dbraw/zinc/77/40/51/1429774051.db2.gz DTTRMZISPSIORK-UHFFFAOYSA-N 2 0 343.515 3.033 10 0 EGAERP CC(C)C[NH2+]CCN(Cc1ccccc1)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001733571088 1429774178 /nfs/dbraw/zinc/77/41/78/1429774178.db2.gz DAGZSXCWACGHDI-OALUTQOASA-N 2 0 345.531 3.134 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001724741228 1425106472 /nfs/dbraw/zinc/10/64/72/1425106472.db2.gz NUSYYRQGIDJZDH-IRXDYDNUSA-N 2 0 331.504 3.017 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H](CC[NH2+][C@H](C)c2cccc(F)c2)C1 ZINC001724753107 1425123121 /nfs/dbraw/zinc/12/31/21/1425123121.db2.gz XWKCPIPUBXYEQC-SJORKVTESA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[NH+]1CCC2(CN(C(=O)[C@H]3CC[C@@H]4CCCC[N@H+]34)C2)CC1 ZINC001724758930 1425129982 /nfs/dbraw/zinc/12/99/82/1425129982.db2.gz FESIKTYCXCBFBK-RBUKOAKNSA-N 2 0 347.547 3.118 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001724885868 1425268998 /nfs/dbraw/zinc/26/89/98/1425268998.db2.gz HCRLIECNCHOUFR-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C1(C[NH+](C)C)CCCCC1)C2 ZINC001724898507 1425292296 /nfs/dbraw/zinc/29/22/96/1425292296.db2.gz MYHCWYZHBKQCSC-FQEVSTJZSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)C[NH+]1CCCC1)C2 ZINC001724901665 1425296241 /nfs/dbraw/zinc/29/62/41/1425296241.db2.gz UKDMCLLJMWCGOF-FPOVZHCZSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)C[NH2+]C1(C)CCN(C(=O)c2ccccc2CC[NH+](C)C)CC1 ZINC001724958666 1425346563 /nfs/dbraw/zinc/34/65/63/1425346563.db2.gz JMMHNPISNLQQEO-UHFFFAOYSA-N 2 0 345.531 3.031 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]CC2CC3(CCC3)C2)CC1 ZINC001724962040 1425351399 /nfs/dbraw/zinc/35/13/99/1425351399.db2.gz QHVIHPCGFDPCEO-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)C[C@H]2C)cc1 ZINC001725004007 1425416879 /nfs/dbraw/zinc/41/68/79/1425416879.db2.gz UKLWOCZXRTWXBS-QUCCMNQESA-N 2 0 345.531 3.196 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001725045559 1425475444 /nfs/dbraw/zinc/47/54/44/1425475444.db2.gz ZYRHGPGKDPZXRO-OALUTQOASA-N 2 0 349.563 3.077 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725097175 1425541041 /nfs/dbraw/zinc/54/10/41/1425541041.db2.gz JTWLLUOAXFXIJM-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@H](C)[NH2+]C/C=C/c1ccccc1 ZINC001725135250 1425608800 /nfs/dbraw/zinc/60/88/00/1425608800.db2.gz QBAKUUPWATXXQI-RNVJXAMWSA-N 2 0 343.515 3.057 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[C@@H]([NH2+]C/C=C\Cl)C(C)C ZINC001725212986 1425775065 /nfs/dbraw/zinc/77/50/65/1425775065.db2.gz KNTHDWOLXDKPRL-RIDHJDLKSA-N 2 0 343.943 3.076 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCCC1 ZINC001725227990 1425797511 /nfs/dbraw/zinc/79/75/11/1425797511.db2.gz DNXRHHXHYHHQNR-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CCC1CCCCCC1 ZINC001725488374 1426164988 /nfs/dbraw/zinc/16/49/88/1426164988.db2.gz FQAQIDMXLAIXRJ-ZHALLVOQSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001725606921 1426263822 /nfs/dbraw/zinc/26/38/22/1426263822.db2.gz BANVSMGHZOQXBC-IRFCIJBXSA-N 2 0 347.547 3.330 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@@]3(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]23)C1 ZINC001725612245 1426271821 /nfs/dbraw/zinc/27/18/21/1426271821.db2.gz TYRUHDUXDKGBBT-PKZBPHAMSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+]([C@H](C)c1ccccc1)CC2 ZINC001725627783 1426295138 /nfs/dbraw/zinc/29/51/38/1426295138.db2.gz KPCLGTTXRUZRLY-LMNJBCLMSA-N 2 0 343.515 3.203 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCC2CCCCC2)C(C)(C)C1 ZINC001725673884 1426358789 /nfs/dbraw/zinc/35/87/89/1426358789.db2.gz FQYANJDCFHTPFH-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CC3(CCC3)C2)C(C)(C)C1 ZINC001725679877 1426367686 /nfs/dbraw/zinc/36/76/86/1426367686.db2.gz TWZDBSGGVJPXCO-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)NCC1=CC[N@H+](CCCC(C)(C)C)CC1 ZINC001725824796 1426499909 /nfs/dbraw/zinc/49/99/09/1426499909.db2.gz JEODMBIKYHTSSZ-MRXNPFEDSA-N 2 0 346.519 3.163 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001725825605 1426500894 /nfs/dbraw/zinc/50/08/94/1426500894.db2.gz HCTVYMYGRKXIQV-GOSISDBHSA-N 2 0 349.563 3.149 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CCC3(CC3)CC2)C1 ZINC001731354963 1427294812 /nfs/dbraw/zinc/29/48/12/1427294812.db2.gz NLPMAHARLVUDNG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCCC3CCC3)C2)ccc2c[nH+]cn21 ZINC001731433516 1427415278 /nfs/dbraw/zinc/41/52/78/1427415278.db2.gz FFZLWJMGVOUBEL-KRWDZBQOSA-N 2 0 340.471 3.027 10 0 EGAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC(C)C)[NH+](CC)CC ZINC001731463001 1427439644 /nfs/dbraw/zinc/43/96/44/1427439644.db2.gz IJESQRZAMIYYLE-XVLXNVKGSA-N 2 0 337.552 3.265 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001731504874 1427488821 /nfs/dbraw/zinc/48/88/21/1427488821.db2.gz XYQLJKPMIBPQKO-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCC1)[NH+]1CCCC1 ZINC001731543381 1427557481 /nfs/dbraw/zinc/55/74/81/1427557481.db2.gz WYPDWQXFCHIUEQ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1CC ZINC001731550942 1427570291 /nfs/dbraw/zinc/57/02/91/1427570291.db2.gz YQIWXWDOKXUISP-DSQZMVHQSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001731560366 1427595143 /nfs/dbraw/zinc/59/51/43/1427595143.db2.gz VXKMYPNNKOXPQM-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001731569030 1427608350 /nfs/dbraw/zinc/60/83/50/1427608350.db2.gz NDIYLAOZJQFBKT-JVSUKQCGSA-N 2 0 335.536 3.234 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+][C@H](C)CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001731600955 1427644033 /nfs/dbraw/zinc/64/40/33/1427644033.db2.gz KEVZQWCWLRXSEP-MSOLQXFVSA-N 2 0 343.515 3.026 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001731695297 1427744943 /nfs/dbraw/zinc/74/49/43/1427744943.db2.gz BTNAXONBILQZNI-UXHICEINSA-N 2 0 349.563 3.316 10 0 EGAERP CCCC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731720602 1427789492 /nfs/dbraw/zinc/78/94/92/1427789492.db2.gz NOZBAMZDNZECOP-WOJBJXKFSA-N 2 0 345.531 3.402 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001731788115 1427923433 /nfs/dbraw/zinc/92/34/33/1427923433.db2.gz SVXCUORBILJFKV-OXJNMPFZSA-N 2 0 349.494 3.008 10 0 EGAERP C[C@@H](C(=O)NCC[N@H+](CC1CCCC1)C1CC1)[NH+]1CCCCCC1 ZINC001731882275 1428153855 /nfs/dbraw/zinc/15/38/55/1428153855.db2.gz MEBPPEJDFUSYDP-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CC1CCC(C[NH2+]CCN(C)C(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001731988320 1428198664 /nfs/dbraw/zinc/19/86/64/1428198664.db2.gz USIAVDFNXDJYMD-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001731995690 1428204519 /nfs/dbraw/zinc/20/45/19/1428204519.db2.gz HJDZYUXXAPTGNC-SFHVURJKSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)[C@H](C(C)C)[NH+](C)C ZINC001733599541 1429801029 /nfs/dbraw/zinc/80/10/29/1429801029.db2.gz OBMZDWRWKSTJCT-QYZOEREBSA-N 2 0 337.552 3.218 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCC3CCCCCC3)C2)C1 ZINC001733676129 1429871148 /nfs/dbraw/zinc/87/11/48/1429871148.db2.gz GVQPHJSRVHQVNF-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CCCCC3)CC2)C1 ZINC001733692363 1429909595 /nfs/dbraw/zinc/90/95/95/1429909595.db2.gz ZTIOHFFPZDUJJT-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C(=O)N1CCC(C)([NH2+]CC2CC(C)C2)CC1)[NH+](CC)CC ZINC001733867448 1437694677 /nfs/dbraw/zinc/69/46/77/1437694677.db2.gz KTODTIFYZQTVSB-ABHNRTSZSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001733867983 1437694930 /nfs/dbraw/zinc/69/49/30/1437694930.db2.gz SUKCFMAGCCLKMW-SREVYHEPSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001733874717 1437700802 /nfs/dbraw/zinc/70/08/02/1437700802.db2.gz CMKGRMJVXRKYCQ-RURPWVQCSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)C[C@@H]1C ZINC001733904574 1437723100 /nfs/dbraw/zinc/72/31/00/1437723100.db2.gz ZZPVZJUOHJMYKT-ZWKOTPCHSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733936729 1437751013 /nfs/dbraw/zinc/75/10/13/1437751013.db2.gz JTOGIKLKFMGUEY-MOPGFXCFSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)CC[NH2+]C1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001734010693 1437802393 /nfs/dbraw/zinc/80/23/93/1437802393.db2.gz MPEZGRCBOKTRPH-JLAWEPINSA-N 2 0 337.552 3.266 10 0 EGAERP CCc1ccc(C[NH2+]C2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cc1 ZINC001734011883 1437803322 /nfs/dbraw/zinc/80/33/22/1437803322.db2.gz KQHWZFFZYCAWLO-UHFFFAOYSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]CC2CC3(CCC3)C2)CCCCC1 ZINC001734091642 1437876103 /nfs/dbraw/zinc/87/61/03/1437876103.db2.gz HZIMDAQHJIEUHX-UHFFFAOYSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)C[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001734106808 1437893325 /nfs/dbraw/zinc/89/33/25/1437893325.db2.gz TVDMTWRVRLVEOY-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001734121339 1437901479 /nfs/dbraw/zinc/90/14/79/1437901479.db2.gz UEUZBVYVPVWKER-PXNSSMCTSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C2)C1 ZINC001734196845 1437937978 /nfs/dbraw/zinc/93/79/78/1437937978.db2.gz HWOAKHCSVYSJSV-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CCC2CCCCC2)C1 ZINC001734220645 1437947869 /nfs/dbraw/zinc/94/78/69/1437947869.db2.gz YDLBCKCTKBXQJZ-MXVIHJGJSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](CCC[NH2+]C(C)C)c2ccccc2)CC[N@@H+]1C ZINC001734285804 1438013798 /nfs/dbraw/zinc/01/37/98/1438013798.db2.gz WNRCLSFYHVUTMD-SLFFLAALSA-N 2 0 345.531 3.352 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001734299578 1438030692 /nfs/dbraw/zinc/03/06/92/1438030692.db2.gz CDTHKPZYPXBJHR-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CN(C(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C[NH2+]CC1CCCC1)C1CC1 ZINC001734299162 1438030756 /nfs/dbraw/zinc/03/07/56/1438030756.db2.gz ANLOPLMOEIGCHH-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CC1=CCCCC1 ZINC001734351554 1438069497 /nfs/dbraw/zinc/06/94/97/1438069497.db2.gz QXUBXAAEHFVQHB-KRWDZBQOSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCCC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001734426249 1438091695 /nfs/dbraw/zinc/09/16/95/1438091695.db2.gz LCDMZDPXQDPXAZ-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2ccccc2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001734427608 1438092331 /nfs/dbraw/zinc/09/23/31/1438092331.db2.gz JATTWDRMXATDEU-ICSRJNTNSA-N 2 0 343.515 3.032 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CC1CCCC1)C(C)(C)C)CC(C)(C)C ZINC001734569443 1438163937 /nfs/dbraw/zinc/16/39/37/1438163937.db2.gz LWDUEWOVFQARQW-QGZVFWFLSA-N 2 0 339.568 3.275 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)CC[NH+]2CCCCC2)CC1 ZINC001734587400 1438177411 /nfs/dbraw/zinc/17/74/11/1438177411.db2.gz JZMICIZTSPZHFZ-PXPVJAHISA-N 2 0 349.563 3.435 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001734605993 1438186003 /nfs/dbraw/zinc/18/60/03/1438186003.db2.gz YRTYSFYMDFFTEW-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccccc3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000375861995 283134903 /nfs/dbraw/zinc/13/49/03/283134903.db2.gz QJUZROVZNKVQSR-HSALFYBXSA-N 2 0 328.500 3.197 10 0 EGAERP c1cncc(C[NH+]2CCC([C@@H]3CC[N@@H+](Cc4ccncc4)C3)CC2)c1 ZINC000012314151 211342458 /nfs/dbraw/zinc/34/24/58/211342458.db2.gz SPPDETZIPIOICJ-OAQYLSRUSA-N 2 0 336.483 3.211 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H](C)c2ccc(NC(=O)NC(C)C)cc2)C1 ZINC000268764286 252212984 /nfs/dbraw/zinc/21/29/84/252212984.db2.gz ITZFULSWKYMDNP-HOTGVXAUSA-N 2 0 332.492 3.209 10 0 EGAERP CCC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)C[C@@H]2C)C1 ZINC000268878487 252326987 /nfs/dbraw/zinc/32/69/87/252326987.db2.gz WZWKNYLINOADDZ-CEWLAPEOSA-N 2 0 329.532 3.219 10 0 EGAERP Cc1cccc(C)c1NC(=O)CCC[N@@H+](C)[C@@H]1CCN(C)[C@@H](C)C1 ZINC000246895162 141042630 /nfs/dbraw/zinc/04/26/30/141042630.db2.gz MDOZOZDUTIDDKM-ZWKOTPCHSA-N 2 0 331.504 3.437 10 0 EGAERP CC(C)(C)[C@H]1CC[C@H]1[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000348061738 141237126 /nfs/dbraw/zinc/23/71/26/141237126.db2.gz JKACCUGNQDEVBL-RBUKOAKNSA-N 2 0 330.520 3.008 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1)NC1CCCC1 ZINC000171502414 144005459 /nfs/dbraw/zinc/00/54/59/144005459.db2.gz YDZURXGOPDHCSK-SFHVURJKSA-N 2 0 335.536 3.023 10 0 EGAERP Cc1c[nH+]ccc1NCC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000192569135 144176700 /nfs/dbraw/zinc/17/67/00/144176700.db2.gz PKODDGYYTKSVQS-FQEVSTJZSA-N 2 0 325.456 3.248 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+]2CC=C(c3ccccc3)CC2)CC1 ZINC000191422098 153194739 /nfs/dbraw/zinc/19/47/39/153194739.db2.gz GZIOFELYFIVSGY-UHFFFAOYSA-N 2 0 327.516 3.192 10 0 EGAERP CC(C)(C)[C@H](O)C[N@@H+]1CCC2(C1)CC[NH+](Cc1ccccc1)CC2 ZINC000310156486 154140078 /nfs/dbraw/zinc/14/00/78/154140078.db2.gz QGYFFYPHIPCEMM-LJQANCHMSA-N 2 0 330.516 3.382 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H](C)c1csc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000345280110 156031716 /nfs/dbraw/zinc/03/17/16/156031716.db2.gz KMDQMTXWHRTASR-OCCSQVGLSA-N 2 0 345.940 3.145 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)c1 ZINC000372766586 157378772 /nfs/dbraw/zinc/37/87/72/157378772.db2.gz LJZHKZAEFGCWAX-HMXCVIKNSA-N 2 0 346.515 3.312 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccccc3F)cn2)CC1 ZINC000112529205 162181061 /nfs/dbraw/zinc/18/10/61/162181061.db2.gz GJLXJOXEBSCJLK-MRXNPFEDSA-N 2 0 342.462 3.213 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC(C[NH+]2CCCC2)CC1)c1ccccc1 ZINC000112918873 162197765 /nfs/dbraw/zinc/19/77/65/162197765.db2.gz PVNYWZHFGPAJOI-FQEVSTJZSA-N 2 0 343.515 3.014 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cnc(OC)nc2C)CC1)CC(C)C ZINC000337185333 163155039 /nfs/dbraw/zinc/15/50/39/163155039.db2.gz OWBQLXQDAKYUAJ-UHFFFAOYSA-N 2 0 348.535 3.374 10 0 EGAERP C[C@H](CCNC(=O)CC[C@@H]1CCCC[N@@H+]1C)[NH+](C)Cc1ccccc1 ZINC000354370749 166011389 /nfs/dbraw/zinc/01/13/89/166011389.db2.gz BPLBSMJAZOSKJU-QUCCMNQESA-N 2 0 345.531 3.278 10 0 EGAERP C[NH+](C)CCCOc1cnccc1C[NH2+]Cc1cccc2[nH]ccc21 ZINC000342426560 163877292 /nfs/dbraw/zinc/87/72/92/163877292.db2.gz DMJGKXHPDZBRFS-UHFFFAOYSA-N 2 0 338.455 3.183 10 0 EGAERP CCCC[C@H]([NH2+]CCCN1CCC[C@H]1C(=O)N(C)C)c1ccccc1 ZINC000343912068 164064578 /nfs/dbraw/zinc/06/45/78/164064578.db2.gz BUAICBMTCOHHGO-PMACEKPBSA-N 2 0 345.531 3.450 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(-n3ccnc3)cs2)CC1 ZINC000346152270 164350794 /nfs/dbraw/zinc/35/07/94/164350794.db2.gz ZQQMPONONHIKRF-UHFFFAOYSA-N 2 0 332.517 3.488 10 0 EGAERP C[C@H]1C[C@@H](C[N@H+](C)CCC2CCN(c3cc[nH+]cc3)CC2)CCO1 ZINC000350317711 165029896 /nfs/dbraw/zinc/02/98/96/165029896.db2.gz MWQFTHAERNJUAZ-HKUYNNGSSA-N 2 0 331.504 3.435 10 0 EGAERP CC1CCC([NH+]2CCN([C@H]3CC[N@H+](Cc4ccccc4)C3)CC2)CC1 ZINC000355910347 166345124 /nfs/dbraw/zinc/34/51/24/166345124.db2.gz WANUOYZKZFUVIW-VTLFHKLASA-N 2 0 341.543 3.457 10 0 EGAERP C[C@H](NC(=O)CC[C@@H]1CCCC[N@@H+]1C)[C@H]1CCC[NH+](C2CCC2)C1 ZINC000355939407 166354273 /nfs/dbraw/zinc/35/42/73/166354273.db2.gz XYYABZWDCLHAQS-BZSNNMDCSA-N 2 0 335.536 3.020 10 0 EGAERP CC[NH+](CC)CCOc1ccccc1C[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000367603062 168247964 /nfs/dbraw/zinc/24/79/64/168247964.db2.gz XYFWSZXLDIOZLU-SFHVURJKSA-N 2 0 342.487 3.298 10 0 EGAERP CC(C)[NH+](CCCNC(=O)N[C@@H](C[NH+](C)C)c1ccccc1)C(C)C ZINC000174131064 265025833 /nfs/dbraw/zinc/02/58/33/265025833.db2.gz JSUULKRWGYLZJW-IBGZPJMESA-N 2 0 348.535 3.097 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCc3cc(Br)ccc3C2)C1 ZINC000250310716 266262732 /nfs/dbraw/zinc/26/27/32/266262732.db2.gz LUTOGPIJIPZFEF-GUYCJALGSA-N 2 0 337.305 3.238 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000131618845 276361770 /nfs/dbraw/zinc/36/17/70/276361770.db2.gz PTZHOHFSZICJIR-JZXOWHBKSA-N 2 0 349.544 3.122 10 0 EGAERP CCN(C(=O)[C@@H]1CCC[C@@H]1C[NH3+])[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261862520 279006794 /nfs/dbraw/zinc/00/67/94/279006794.db2.gz WZYZBPQLYIOPSA-OJAHFUOMSA-N 2 0 343.515 3.045 10 0 EGAERP CC[NH+](CC)CCCN[C@@H]1CC[N@H+](C2CC2)[C@@H]1c1cccc(OC)c1 ZINC000338637744 279100090 /nfs/dbraw/zinc/10/00/90/279100090.db2.gz OWWSACUZQIPPAU-NHCUHLMSSA-N 2 0 345.531 3.295 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]CCCCC[NH+]2CCCCC2)C12CCOCC2 ZINC000186336127 279934616 /nfs/dbraw/zinc/93/46/16/279934616.db2.gz ZSEPHGBDKYDUCS-OALUTQOASA-N 2 0 338.536 3.206 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C2CCC(C(=O)OC(C)(C)C)CC2)[C@@H]2CCC[C@@H]21 ZINC000370741052 290213697 /nfs/dbraw/zinc/21/36/97/290213697.db2.gz UIHYKGCFPJFUES-CNFALQKSSA-N 2 0 336.520 3.349 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+][C@@H]2CC[N@H+](C)[C@H](C)C2)CCOCC1 ZINC000152623066 295104605 /nfs/dbraw/zinc/10/46/05/295104605.db2.gz QZEFOFWZWNBTRI-QZTJIDSGSA-N 2 0 346.515 3.124 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(OCC[N@H+](C)C2CCOCC2)c1)[C@@H]1C[C@H]1C ZINC000414074486 309059250 /nfs/dbraw/zinc/05/92/50/309059250.db2.gz MUYLMWKINHCKFR-CBGDNZLLSA-N 2 0 346.515 3.310 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@@H](C)C1 ZINC000249073209 308018335 /nfs/dbraw/zinc/01/83/35/308018335.db2.gz KCPVECSVZGCZLY-KXBFYZLASA-N 2 0 335.923 3.018 10 0 EGAERP CC(C)[C@@H]1C[C@H]([NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)CS1 ZINC000414523038 309086237 /nfs/dbraw/zinc/08/62/37/309086237.db2.gz HRGZGBKCCKECEU-OALUTQOASA-N 2 0 348.556 3.133 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCc1ccc2c[nH+]cn2c1)c1ccccc1 ZINC000297260492 308515554 /nfs/dbraw/zinc/51/55/54/308515554.db2.gz PCSZIFZEHKDUCE-IBGZPJMESA-N 2 0 336.439 3.034 10 0 EGAERP O=C(NCc1ccc2c[nH+]cn2c1)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000297330072 308522977 /nfs/dbraw/zinc/52/29/77/308522977.db2.gz SSWODSPSQAAVED-UHFFFAOYSA-N 2 0 348.450 3.250 10 0 EGAERP COc1cccc(NC(=O)C[C@H](C)[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000414810268 309103050 /nfs/dbraw/zinc/10/30/50/309103050.db2.gz HRIFSFGECWZPKX-GJZGRUSLSA-N 2 0 341.455 3.222 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CC[C@@H]1CC[NH2+]C1 ZINC000414824598 309103938 /nfs/dbraw/zinc/10/39/38/309103938.db2.gz AZIKMNCXWNKGEB-NEPJUHHUSA-N 2 0 329.257 3.108 10 0 EGAERP COc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C)ccc1OCc1cccs1 ZINC000414947532 309110828 /nfs/dbraw/zinc/11/08/28/309110828.db2.gz WLFFNOCPRZVKNN-YOEHRIQHSA-N 2 0 346.496 3.423 10 0 EGAERP CCCOc1ccc(C[N@@H+]2CCCC[C@@H]2[C@@H]2CC[NH2+]C2)cc1OC ZINC000415032858 309115393 /nfs/dbraw/zinc/11/53/93/309115393.db2.gz BCIZJJQSQZWJPV-QZTJIDSGSA-N 2 0 332.488 3.448 10 0 EGAERP c1ccc([C@@H]2CCC[C@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053792 309116772 /nfs/dbraw/zinc/11/67/72/309116772.db2.gz MWGGBOIRXQIZDB-NSKBAKJYSA-N 2 0 327.516 3.129 10 0 EGAERP c1ccc([C@H]2CCC[C@@H]2[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415053799 309116835 /nfs/dbraw/zinc/11/68/35/309116835.db2.gz MWGGBOIRXQIZDB-VFUGHAIPSA-N 2 0 327.516 3.129 10 0 EGAERP CC(C)c1ccc(CC[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415055343 309116989 /nfs/dbraw/zinc/11/69/89/309116989.db2.gz OMAHQAQYMHZFCG-UHFFFAOYSA-N 2 0 329.532 3.159 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](CC[NH+](C)C)C(C)(C)C ZINC000415940817 309150249 /nfs/dbraw/zinc/15/02/49/309150249.db2.gz DNSSSGLGBCSZKN-KRWDZBQOSA-N 2 0 334.508 3.284 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NC[C@@H](c1cccs1)[NH+](C)C ZINC000415944423 309150441 /nfs/dbraw/zinc/15/04/41/309150441.db2.gz PDAUCDGPJRGBHC-INIZCTEOSA-N 2 0 346.500 3.282 10 0 EGAERP C[C@@H]1CCC[C@@H](C)[NH+]1CCNC(=O)C[C@@H](c1ccccc1)[NH+](C)C ZINC000416147772 309160915 /nfs/dbraw/zinc/16/09/15/309160915.db2.gz BUKSPJMGMCLSAB-LMMKCTJWSA-N 2 0 331.504 3.059 10 0 EGAERP CCn1nncc1C[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000417897284 309227459 /nfs/dbraw/zinc/22/74/59/309227459.db2.gz WNZZNZSAZNRIDJ-UHFFFAOYSA-N 2 0 341.503 3.352 10 0 EGAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)NCc1ccc([C@@H](C)[NH3+])cc1 ZINC000418230745 309240457 /nfs/dbraw/zinc/24/04/57/309240457.db2.gz ASRJEJWJXXDENX-APWZRJJASA-N 2 0 346.519 3.016 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@]2(CC[NH2+]C2)C1)Nc1cccc2ccccc21 ZINC000420376499 309285061 /nfs/dbraw/zinc/28/50/61/309285061.db2.gz PDKBWUUSFSVSFZ-OAQYLSRUSA-N 2 0 337.467 3.244 10 0 EGAERP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](C)[C@H](C[NH3+])C3)CCC2)c1 ZINC000420406374 309286911 /nfs/dbraw/zinc/28/69/11/309286911.db2.gz NUVWQHJXUYRTON-IEBWSBKVSA-N 2 0 346.515 3.299 10 0 EGAERP C[NH+](C)CCNC(=O)c1cccc(C[NH2+]C2CC3(C2)CCCCC3)c1 ZINC000421325173 309318568 /nfs/dbraw/zinc/31/85/68/309318568.db2.gz KYVMAZHZMHGKKG-UHFFFAOYSA-N 2 0 343.515 3.181 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1 ZINC000422735908 309365921 /nfs/dbraw/zinc/36/59/21/309365921.db2.gz FNNAZHHMVBXOKT-SQGPQFPESA-N 2 0 338.499 3.335 10 0 EGAERP Cc1ccc(OCC[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422750897 309366489 /nfs/dbraw/zinc/36/64/89/309366489.db2.gz DVJUNEQZIZXOMT-TZIWHRDSSA-N 2 0 338.451 3.219 10 0 EGAERP COc1ccc([C@@H](NC2CC[NH+](CC(C)C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422816926 309369875 /nfs/dbraw/zinc/36/98/75/309369875.db2.gz GMFGQODUJQDHNU-LEWJYISDSA-N 2 0 345.531 3.198 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)C1 ZINC000422871425 309373030 /nfs/dbraw/zinc/37/30/30/309373030.db2.gz YUUZRAJNDUPBKB-ILRDRHFLSA-N 2 0 349.469 3.444 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@@H]2CCCC[NH2+]2)C1 ZINC000422871433 309373080 /nfs/dbraw/zinc/37/30/80/309373080.db2.gz YUUZRAJNDUPBKB-STEAMIEHSA-N 2 0 349.469 3.444 10 0 EGAERP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422875482 309373341 /nfs/dbraw/zinc/37/33/41/309373341.db2.gz CTTPEUJOSIZOEF-HSALFYBXSA-N 2 0 342.531 3.472 10 0 EGAERP C[C@H](C[C@H]1CCCCC[NH2+]1)[NH2+][C@H]1CCN(c2ncccc2Cl)C1 ZINC000422880270 309373630 /nfs/dbraw/zinc/37/36/30/309373630.db2.gz WPTKIARWPZPDEN-OAGGEKHMSA-N 2 0 336.911 3.214 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](c1cccc(Cl)c1)c1ccccn1 ZINC000422888729 309374482 /nfs/dbraw/zinc/37/44/82/309374482.db2.gz NQDGBLVHVQQRQG-FUHWJXTLSA-N 2 0 333.863 3.168 10 0 EGAERP [NH3+]CC1CCC([NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000422906145 309375556 /nfs/dbraw/zinc/37/55/56/309375556.db2.gz JJDSFQUCMCNZFW-BKDYDCAMSA-N 3 0 327.516 3.289 10 0 EGAERP CC[C@H](Cc1ccccc1Br)[NH2+][C@@H](CCC[NH3+])COC ZINC000422928612 309376564 /nfs/dbraw/zinc/37/65/64/309376564.db2.gz LRMCREHEBUUDTA-CABCVRRESA-N 2 0 343.309 3.114 10 0 EGAERP CCC1(CC)[C@H]([NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)C[C@@H]1OC ZINC000422945329 309377482 /nfs/dbraw/zinc/37/74/82/309377482.db2.gz UCNAORHEWKJWTD-RSPOEFSDSA-N 2 0 344.499 3.426 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+][C@H](C)c1ccc(Oc2cccnc2)cc1 ZINC000423136389 309387904 /nfs/dbraw/zinc/38/79/04/309387904.db2.gz YWEWIRDSWFDDGZ-WBVHZDCISA-N 2 0 329.444 3.278 10 0 EGAERP COc1ccc([C@@H](NCCCCC[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423137456 309387971 /nfs/dbraw/zinc/38/79/71/309387971.db2.gz QZYZASBKSRSSRJ-NHCUHLMSSA-N 2 0 345.531 3.344 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H]1C[C@H](c2ccc(Br)cc2)C1 ZINC000423138399 309388026 /nfs/dbraw/zinc/38/80/26/309388026.db2.gz JFHKXXOVUVGWMX-FVQBIDKESA-N 2 0 341.293 3.039 10 0 EGAERP Fc1ccc2c(c1Br)CC[C@@H]2[NH2+]CC[C@H]1CC[NH2+]C1 ZINC000423249116 309392219 /nfs/dbraw/zinc/39/22/19/309392219.db2.gz OGFGFBFNFVKBIS-YGRLFVJLSA-N 2 0 327.241 3.165 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2ccc(C(=O)N(C)C)cc2)cc1 ZINC000423291969 309394123 /nfs/dbraw/zinc/39/41/23/309394123.db2.gz KURLWIJXIFMUSG-CABCVRRESA-N 2 0 325.456 3.259 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)c2cccc(OCC[NH+](C)C)c2)cc1 ZINC000423292559 309394312 /nfs/dbraw/zinc/39/43/12/309394312.db2.gz NIEXVKNLZRDLOY-SJORKVTESA-N 3 0 341.499 3.498 10 0 EGAERP CC1(C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)CC[NH2+]CC1 ZINC000423323563 309395223 /nfs/dbraw/zinc/39/52/23/309395223.db2.gz IDRKEYMIDPTNCE-HNNXBMFYSA-N 2 0 327.394 3.457 10 0 EGAERP C[NH+](C)CC1(C(=O)NCCCCC[NH+]2CCCCC2)CCCCC1 ZINC000426333938 309504554 /nfs/dbraw/zinc/50/45/54/309504554.db2.gz KNTHMCJIPDLIHF-UHFFFAOYSA-N 2 0 337.552 3.271 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@H](c2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000437788508 309799740 /nfs/dbraw/zinc/79/97/40/309799740.db2.gz UAMHRBCHNDJSAA-ZCNNSNEGSA-N 2 0 345.531 3.005 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H]3CCCC34CCC4)cn2)CC1 ZINC000449082687 310035640 /nfs/dbraw/zinc/03/56/40/310035640.db2.gz PBFMIKAXDNBXBW-SFHVURJKSA-N 2 0 328.504 3.036 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CCCC1 ZINC000449083393 310035696 /nfs/dbraw/zinc/03/56/96/310035696.db2.gz TXXWAZVVOCDTBB-LJQANCHMSA-N 2 0 330.520 3.282 10 0 EGAERP C[NH+](C)CCCC[NH2+]Cc1ccnc2c(Br)cccc12 ZINC000449109364 310037799 /nfs/dbraw/zinc/03/77/99/310037799.db2.gz YMUBHBNPWFHVIK-UHFFFAOYSA-N 2 0 336.277 3.429 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H]1CC[C@H](c2ccc(Cl)cc2)C1 ZINC000449123661 310038825 /nfs/dbraw/zinc/03/88/25/310038825.db2.gz OCARZCSXHPNBHD-AYBZRNKSSA-N 2 0 335.923 3.202 10 0 EGAERP CO[C@@H]1CCC[C@H]1C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449200408 310044099 /nfs/dbraw/zinc/04/40/99/310044099.db2.gz DUELKMWKMREEQU-SLYNCCJLSA-N 2 0 330.516 3.487 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]C[C@@H](CO)c2cccnc2)CC1 ZINC000449330434 310054075 /nfs/dbraw/zinc/05/40/75/310054075.db2.gz LEIUTMRNFNEILC-SFHVURJKSA-N 2 0 347.547 3.426 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@@H]([NH2+]CC4=CCOCC4)[C@H]3C2)cc1 ZINC000449403272 310059013 /nfs/dbraw/zinc/05/90/13/310059013.db2.gz PGNFHJYSQKTALE-PCCBWWKXSA-N 2 0 326.484 3.223 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)Cc2cnn(C)c2)CC1 ZINC000449588701 310074114 /nfs/dbraw/zinc/07/41/14/310074114.db2.gz QQOKUBUTRQFGAQ-ZWKOTPCHSA-N 2 0 340.515 3.036 10 0 EGAERP C[C@H]([NH2+]CCC1CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453117697 310259149 /nfs/dbraw/zinc/25/91/49/310259149.db2.gz ZMUURYDLZSIYKC-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](C(C)C)C1(CO)CCCC1 ZINC000453625896 310285584 /nfs/dbraw/zinc/28/55/84/310285584.db2.gz ZQTMMMAZHXQINK-LJQANCHMSA-N 2 0 342.487 3.243 10 0 EGAERP c1ccc([C@@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)[C@H]2CCOC2)cc1 ZINC000459460112 310554105 /nfs/dbraw/zinc/55/41/05/310554105.db2.gz IQQNOHNDTLKLEU-GHTZIAJQSA-N 2 0 337.467 3.418 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+]C[C@H](CC(C)C)c2ccccc2)CC1 ZINC000474460183 310794184 /nfs/dbraw/zinc/79/41/84/310794184.db2.gz LOOJAJNANLDJGI-FPOVZHCZSA-N 2 0 331.548 3.432 10 0 EGAERP COC(=O)[C@H]1CCC[N@H+](CC(C)(C)C[NH+](C)Cc2ccccc2)C1 ZINC000506298819 312046879 /nfs/dbraw/zinc/04/68/79/312046879.db2.gz RESJIASZLNJRSN-SFHVURJKSA-N 2 0 332.488 3.030 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@H]1[NH2+][C@@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510994195 312152681 /nfs/dbraw/zinc/15/26/81/312152681.db2.gz AGRFRZUHPXOYRD-DUXKGJEZSA-N 2 0 341.543 3.359 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)N2CCc3ccccc3C2)[C@H]2CCC[C@@H]21 ZINC000513717477 312216515 /nfs/dbraw/zinc/21/65/15/312216515.db2.gz PBUVTFDXUFPALD-HKBOAZHASA-N 2 0 341.543 3.286 10 0 EGAERP CCOc1ccc(CC[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OCC ZINC000514100447 312225291 /nfs/dbraw/zinc/22/52/91/312225291.db2.gz VZHDRQZIGKLBQI-IPMKNSEASA-N 2 0 346.515 3.489 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2ccc(Cl)cc2)CC1 ZINC000516645342 312335102 /nfs/dbraw/zinc/33/51/02/312335102.db2.gz WHRBYEDTCZDADP-UHFFFAOYSA-N 2 0 337.895 3.380 10 0 EGAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC000529722830 313399290 /nfs/dbraw/zinc/39/92/90/313399290.db2.gz NDGRBGFMXLTWCO-YLJYHZDGSA-N 2 0 347.547 3.164 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCO[C@H]1CC(C)C ZINC000548478012 315014815 /nfs/dbraw/zinc/01/48/15/315014815.db2.gz GGJHUOJTWHFUMS-OALUTQOASA-N 2 0 328.460 3.259 10 0 EGAERP CCCC(=O)Nc1cccc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)c1 ZINC000552040962 315191752 /nfs/dbraw/zinc/19/17/52/315191752.db2.gz PHNTXZQNGJDZEL-OTWHNJEPSA-N 2 0 329.488 3.388 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+]2C[C@@H](C)O[C@H](C)C2)cc1 ZINC000552899103 315237038 /nfs/dbraw/zinc/23/70/38/315237038.db2.gz LPVBNOHUJIXQIB-RCCFBDPRSA-N 2 0 334.504 3.105 10 0 EGAERP CC(C)(C)NC(=O)C[NH+]1CCC(C[NH2+][C@@H]2CC[C@@H]2C(C)(C)C)CC1 ZINC000554045551 315295114 /nfs/dbraw/zinc/29/51/14/315295114.db2.gz NPWWISPZVOJNLO-DLBZAZTESA-N 2 0 337.552 3.027 10 0 EGAERP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@@H]([NH3+])C1 ZINC000565227321 316295461 /nfs/dbraw/zinc/29/54/61/316295461.db2.gz VCNATTKGTVKVFB-CYZMBNFOSA-N 2 0 327.266 3.378 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCCC[C@H]1[C@@H]1CC[NH2+]C1)CC1CCCCC1 ZINC000566095192 316415354 /nfs/dbraw/zinc/41/53/54/316415354.db2.gz CXLILVLKJYEGSF-QRVBRYPASA-N 2 0 335.536 3.055 10 0 EGAERP COc1ccc([C@@H](NCC2([NH3+])CCCCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000570507831 317065252 /nfs/dbraw/zinc/06/52/52/317065252.db2.gz BRPMTOAZWPKESJ-RTBURBONSA-N 2 0 331.504 3.130 10 0 EGAERP Fc1cccc(-c2cnc(C[N@@H+]3CCC[C@@H]([C@@H]4CC[NH2+]C4)C3)o2)c1 ZINC000571407975 317196169 /nfs/dbraw/zinc/19/61/69/317196169.db2.gz OCALOOHOPJXDDE-HZPDHXFCSA-N 2 0 329.419 3.302 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@H]([NH2+]Cc1ccc2c[nH+]cn2c1)CC3 ZINC000573422864 317482240 /nfs/dbraw/zinc/48/22/40/317482240.db2.gz PEFIKFGWMFQXMY-OAHLLOKOSA-N 2 0 346.434 3.471 10 0 EGAERP CCn1nncc1C[NH2+]CC1(CC)CC[NH+](Cc2ccccc2)CC1 ZINC000417949291 324303683 /nfs/dbraw/zinc/30/36/83/324303683.db2.gz IXEICZHTTSMYGP-UHFFFAOYSA-N 2 0 341.503 3.080 10 0 EGAERP COc1ccc(OC(F)F)c(CN[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623445406 460554205 /nfs/dbraw/zinc/55/42/05/460554205.db2.gz PQIVNCRWNBFWQW-ZDUSSCGKSA-N 2 0 328.403 3.259 10 0 EGAERP COc1ccc(C[C@@H](C)C[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)cc1OC ZINC000623477036 460570492 /nfs/dbraw/zinc/57/04/92/460570492.db2.gz ZEHXTRZLRKLHIQ-NVXWUHKLSA-N 2 0 334.504 3.345 10 0 EGAERP FC(F)(F)COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH2+]CC[C@H]32)cc1 ZINC000631887994 460589709 /nfs/dbraw/zinc/58/97/09/460589709.db2.gz SHMDEMAWFZRKCX-GDBMZVCRSA-N 2 0 328.378 3.202 10 0 EGAERP CO[C@@](C)(C[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)COCc1ccccc1 ZINC000623563982 460615651 /nfs/dbraw/zinc/61/56/51/460615651.db2.gz OTLJZOCZNAFGAK-QUCCMNQESA-N 2 0 334.504 3.071 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)Cc1ccccc1 ZINC000182078697 455431269 /nfs/dbraw/zinc/43/12/69/455431269.db2.gz GAVSYVMRISSZNU-GCJKJVERSA-N 2 0 338.495 3.222 10 0 EGAERP C[NH+](C)CCOc1cc(C[NH2+][C@H]2CC[C@@H](c3ccccc3)C2)ccn1 ZINC000132533120 454347048 /nfs/dbraw/zinc/34/70/48/454347048.db2.gz QSEPBDIKJIROJA-UXHICEINSA-N 2 0 339.483 3.448 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]C2CCN(CC(F)(F)F)CC2)ccc1F ZINC000120847166 454355818 /nfs/dbraw/zinc/35/58/18/454355818.db2.gz BMKJIJRSRSOVFO-UHFFFAOYSA-N 2 0 347.400 3.004 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092753107 454625235 /nfs/dbraw/zinc/62/52/35/454625235.db2.gz KVFVKKDXUIKSLD-CQSZACIVSA-N 2 0 339.549 3.413 10 0 EGAERP C[C@H]([NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1)c1ccc(N2CCCC2=O)cc1 ZINC000161643977 454710574 /nfs/dbraw/zinc/71/05/74/454710574.db2.gz CVAKTOVGEPKPOY-VDZJLULYSA-N 2 0 327.472 3.091 10 0 EGAERP CCOc1ccccc1NC(=O)CC[N@H+](C)[C@@H]1CC[NH+](CC)C[C@H]1C ZINC000137645677 454783654 /nfs/dbraw/zinc/78/36/54/454783654.db2.gz OPMQCNUBUFDGFL-SJLPKXTDSA-N 2 0 347.503 3.076 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1cc(Cl)cc(Cl)c1 ZINC000155108779 454963463 /nfs/dbraw/zinc/96/34/63/454963463.db2.gz XFKVMCBFUHLQRV-OLZOCXBDSA-N 2 0 330.303 3.280 10 0 EGAERP Cc1nccn1C[C@H]1CCC[N@@H+]1CC(=O)Nc1cccc2ccccc21 ZINC000178751591 454972882 /nfs/dbraw/zinc/97/28/82/454972882.db2.gz CNRQFXCHXBAHTM-GOSISDBHSA-N 2 0 348.450 3.448 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H]2CC(C)(C)Oc3cc(F)ccc32)CC1 ZINC000155653697 455027845 /nfs/dbraw/zinc/02/78/45/455027845.db2.gz RNFOJZKSNBLTGU-MAUKXSAKSA-N 2 0 349.494 3.044 10 0 EGAERP OCc1cccc(C[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)c1 ZINC000180133831 455137903 /nfs/dbraw/zinc/13/79/03/455137903.db2.gz BCMILWOTYAUPII-FRIKZZABSA-N 2 0 336.479 3.464 10 0 EGAERP COc1ccccc1/C=C/C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000237300323 455170882 /nfs/dbraw/zinc/17/08/82/455170882.db2.gz HCGODQIGMSFPNM-RWSYTZSNSA-N 2 0 332.488 3.187 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180448123 455171919 /nfs/dbraw/zinc/17/19/19/455171919.db2.gz MUMLYWSSNOOTNQ-HXUWFJFHSA-N 2 0 344.478 3.360 10 0 EGAERP CN1CCN([C@@H]2CCCC[N@@H+]([C@@H]3CCc4c3cccc4Cl)C2)CC1 ZINC000182895759 455186525 /nfs/dbraw/zinc/18/65/25/455186525.db2.gz QDGXMAFDZSQSFQ-OXQOHEQNSA-N 2 0 347.934 3.429 10 0 EGAERP CO[C@@H](C)c1noc(CN[C@@H](C)c2ccc(-n3ccnc3C)cc2)n1 ZINC000183689347 455321317 /nfs/dbraw/zinc/32/13/17/455321317.db2.gz LZAHNYDZOVCIBY-STQMWFEESA-N 2 0 341.415 3.122 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Oc3cnccn3)cc2)[C@@H](C)C1 ZINC000245765122 455375596 /nfs/dbraw/zinc/37/55/96/455375596.db2.gz QOSFQHSWNOEMJB-LPHOPBHVSA-N 2 0 340.471 3.431 10 0 EGAERP CC[N@H+](Cc1ccc(C(=O)N2[C@H](C)C[NH+](C)C[C@H]2C)cc1)C(C)C ZINC000245865721 455388549 /nfs/dbraw/zinc/38/85/49/455388549.db2.gz FIFCCYJGAJJQMM-IAGOWNOFSA-N 2 0 331.504 3.082 10 0 EGAERP Cc1ccc(CCC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)cc1 ZINC000182258885 455474368 /nfs/dbraw/zinc/47/43/68/455474368.db2.gz OCYCIAXOXYQTOV-CBQGHPETSA-N 2 0 341.543 3.170 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cnc3c(cnn3C(C)C)c2)[C@@H](C)C1 ZINC000246401191 455483803 /nfs/dbraw/zinc/48/38/03/455483803.db2.gz ALVUBKTXGVVULX-MAUKXSAKSA-N 2 0 329.492 3.174 10 0 EGAERP O=C(CCN1CC[C@@H]2[C@@H](CCC[N@@H+]2C2CC2)C1)Nc1ccccc1F ZINC000246489579 455500371 /nfs/dbraw/zinc/50/03/71/455500371.db2.gz GZZBRDLHVAHXQL-HNAYVOBHSA-N 2 0 345.462 3.103 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H](C)c2ccc(OC(F)F)c(OC)c2)C1 ZINC000247039891 455548906 /nfs/dbraw/zinc/54/89/06/455548906.db2.gz MRCITWQARGGBEU-OLZOCXBDSA-N 2 0 328.403 3.289 10 0 EGAERP CCC(C)(C)NC(=O)CN(C)[C@H]1CC[N@H+](Cc2ccccc2)[C@@H](C)C1 ZINC000247187069 455570371 /nfs/dbraw/zinc/57/03/71/455570371.db2.gz VEADDVYTQXEGII-HKUYNNGSSA-N 2 0 345.531 3.276 10 0 EGAERP CCn1cc(C[N@@H+]2CCCN(c3cc[nH+]c4ccc(C)cc43)CC2)cn1 ZINC000185649412 455589325 /nfs/dbraw/zinc/58/93/25/455589325.db2.gz CKULINITUNSPRI-UHFFFAOYSA-N 2 0 349.482 3.472 10 0 EGAERP CC(C)[C@H](C[NH2+][C@@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271734239 455738788 /nfs/dbraw/zinc/73/87/88/455738788.db2.gz CUWIOMQMTQYXJG-VQTJNVASSA-N 2 0 333.495 3.138 10 0 EGAERP Cc1noc(C)c1CC[NH2+][C@@H]1CC[N@@H+](Cc2ccccc2)C[C@H]1C ZINC000268961042 455745679 /nfs/dbraw/zinc/74/56/79/455745679.db2.gz XGMSHSKLGUUKLK-FOIQADDNSA-N 2 0 327.472 3.334 10 0 EGAERP C[C@]1(CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)CCC[NH+]1Cc1ccccc1 ZINC000250125533 455786091 /nfs/dbraw/zinc/78/60/91/455786091.db2.gz WBZRGKPOKBLMTM-PCCBWWKXSA-N 2 0 327.516 3.258 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+]4CCC[C@H]4C3)c2)C[C@H](C)O1 ZINC000253369817 455835268 /nfs/dbraw/zinc/83/52/68/455835268.db2.gz IJZVBBKVHFPZOA-OVQGTLEDSA-N 2 0 343.515 3.335 10 0 EGAERP CC[NH+]1CCC(N[C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CC1 ZINC000272457668 455957202 /nfs/dbraw/zinc/95/72/02/455957202.db2.gz XKLSTEDRBDCSGQ-MZADTFQBSA-N 2 0 327.516 3.256 10 0 EGAERP FC(F)(F)[C@@H]1CCC[C@H](C[NH2+][C@@H]2CCC[C@@H]2[C@@H]2COCCN2)C1 ZINC000261892876 455967025 /nfs/dbraw/zinc/96/70/25/455967025.db2.gz GUCHJDCWLAFCLD-NPJQDHAYSA-N 2 0 334.426 3.102 10 0 EGAERP CCN(C(=O)CC[C@@H]1CC[NH2+]C1)[C@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000261917024 455971255 /nfs/dbraw/zinc/97/12/55/455971255.db2.gz XDTRXKMAYAWHDC-NSHGMRRFSA-N 2 0 343.515 3.060 10 0 EGAERP Cc1nn(-c2ccccc2)cc1CN(CC[NH3+])CCc1ccccc1 ZINC000261935216 455974328 /nfs/dbraw/zinc/97/43/28/455974328.db2.gz DCQNTMFAOGGRND-UHFFFAOYSA-N 2 0 334.467 3.184 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000189147621 456239962 /nfs/dbraw/zinc/23/99/62/456239962.db2.gz UJHRXOVIIJFCLQ-UHFFFAOYSA-N 2 0 344.478 3.282 10 0 EGAERP CN(C)c1nc(C[NH2+]CCCC[NH+](C)C)c(Cl)n1-c1ccccc1 ZINC000263881285 456253656 /nfs/dbraw/zinc/25/36/56/456253656.db2.gz CWSXJJVXCCFJHG-UHFFFAOYSA-N 2 0 349.910 3.023 10 0 EGAERP COCCCOc1cccc(C[NH2+]Cc2ccc3c[nH+]cn3c2)c1 ZINC000297603252 456261433 /nfs/dbraw/zinc/26/14/33/456261433.db2.gz UNZZMACHEIKXKL-UHFFFAOYSA-N 2 0 325.412 3.039 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](N3CCC(C[NH+]4CCCC4)CC3)C2)cc1 ZINC000340290243 456366450 /nfs/dbraw/zinc/36/64/50/456366450.db2.gz XWWMTNOMSRQHPH-OAQYLSRUSA-N 2 0 327.516 3.069 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccccc1-c1ccnn1C)[NH+]1CCCCC1 ZINC000352874926 456381499 /nfs/dbraw/zinc/38/14/99/456381499.db2.gz IPPIEWOSEJTWBL-KRWDZBQOSA-N 2 0 326.488 3.441 10 0 EGAERP O=C(CN1CCC[C@@H](c2ncc3n2CCCC3)C1)Nc1ccccc1 ZINC000282157644 456428841 /nfs/dbraw/zinc/42/88/41/456428841.db2.gz TZSVRGWBOYTDKP-MRXNPFEDSA-N 2 0 338.455 3.038 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCCC[C@H]2C)cc1 ZINC000340474450 456480776 /nfs/dbraw/zinc/48/07/76/456480776.db2.gz RVWXSJOQTHLLSQ-XLIONFOSSA-N 2 0 341.503 3.221 10 0 EGAERP C[N@@H+]1CCC[C@H]1CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282427198 456510278 /nfs/dbraw/zinc/51/02/78/456510278.db2.gz HDEFHFCXSHMTBX-SFHVURJKSA-N 2 0 331.479 3.137 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2csc(Br)c2)[C@@H]2CCC[C@@H]21 ZINC000353410911 456683064 /nfs/dbraw/zinc/68/30/64/456683064.db2.gz XRVMZAFIUNAHNP-AVGNSLFASA-N 2 0 329.307 3.473 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000348758091 456843639 /nfs/dbraw/zinc/84/36/39/456843639.db2.gz YHQFMRMNGBADGN-WVLNKYAVSA-N 2 0 335.536 3.066 10 0 EGAERP CO[C@@H](C)C[N@H+](Cc1ccccc1N(C)C1CC[NH+](C)CC1)C(C)C ZINC000353825498 456924838 /nfs/dbraw/zinc/92/48/38/456924838.db2.gz XUSCBZWOTPUQHT-SFHVURJKSA-N 2 0 347.547 3.462 10 0 EGAERP COC(=O)C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]1C ZINC000353929140 456968984 /nfs/dbraw/zinc/96/89/84/456968984.db2.gz DBDPAOYBYHKWRU-UXPWSPDFSA-N 2 0 344.499 3.350 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCC2)[C@@H]1[C@H]1CCCO1 ZINC000356516893 457030982 /nfs/dbraw/zinc/03/09/82/457030982.db2.gz BSROEFGLDWXNKF-MOPGFXCFSA-N 2 0 338.455 3.109 10 0 EGAERP C[NH+](C)Cc1cc(-c2noc(-c3ccc4c[nH+]cn4c3)n2)ccc1F ZINC000346391113 457038916 /nfs/dbraw/zinc/03/89/16/457038916.db2.gz QCLOVCXMQGCLDS-UHFFFAOYSA-N 2 0 337.358 3.252 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](C/C=C\c2ccccc2OC)C1 ZINC000354101940 457063484 /nfs/dbraw/zinc/06/34/84/457063484.db2.gz XSZVJHYBIFPJII-IBHIWXBSSA-N 2 0 332.488 3.141 10 0 EGAERP c1ccc2nc(C[NH+]3CCC(CC[NH+]4CCOCC4)CC3)ccc2c1 ZINC000363237505 457267642 /nfs/dbraw/zinc/26/76/42/457267642.db2.gz LWYFOACREHOXPY-UHFFFAOYSA-N 2 0 339.483 3.169 10 0 EGAERP C[NH+]1CCC([C@H]2CC[N@H+](Cc3nccn3Cc3ccccc3)C2)CC1 ZINC000339841067 457304127 /nfs/dbraw/zinc/30/41/27/457304127.db2.gz AWXGCQQKDVXKIZ-FQEVSTJZSA-N 2 0 338.499 3.095 10 0 EGAERP C[C@@H](c1nnc(-c2ccccc2)o1)[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000363451205 457333817 /nfs/dbraw/zinc/33/38/17/457333817.db2.gz SVRJPQBSGVJXJH-HNNXBMFYSA-N 2 0 328.460 3.461 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000390867976 457447532 /nfs/dbraw/zinc/44/75/32/457447532.db2.gz NPQDGOPZYPZXQW-XICAJGIJSA-N 2 0 327.516 3.289 10 0 EGAERP C[C@H](CCC(C)(C)C)[NH2+]CCCN1CCN(c2cc[nH+]cc2)CC1 ZINC000342707732 457470067 /nfs/dbraw/zinc/47/00/67/457470067.db2.gz JYJSXKWZEGBPGM-GOSISDBHSA-N 2 0 332.536 3.398 10 0 EGAERP Cc1nc([C@@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)cs1 ZINC000397650813 457489869 /nfs/dbraw/zinc/48/98/69/457489869.db2.gz WSTGHSYWBCXQMX-OAHLLOKOSA-N 2 0 345.512 3.129 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000426100965 457773256 /nfs/dbraw/zinc/77/32/56/457773256.db2.gz POTUBPPDNAYZQF-OTWHNJEPSA-N 2 0 349.563 3.362 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2CCOC3(CCCC3)C2)[C@H](C)C1 ZINC000358293611 457916637 /nfs/dbraw/zinc/91/66/37/457916637.db2.gz AGYQXDKWMPHNJF-QYZOEREBSA-N 2 0 338.536 3.205 10 0 EGAERP Cc1ccsc1[C@@H](CO)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000358396691 457977523 /nfs/dbraw/zinc/97/75/23/457977523.db2.gz JAZFIOFHONWRCZ-CRAIPNDOSA-N 2 0 348.512 3.381 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOCCOCc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000375894314 458112670 /nfs/dbraw/zinc/11/26/70/458112670.db2.gz DJLMMOCTLACLEK-ACRUOGEOSA-N 2 0 346.515 3.072 10 0 EGAERP C[NH+](C)[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)CC1 ZINC000429546934 458342393 /nfs/dbraw/zinc/34/23/93/458342393.db2.gz IIHIXJOCHFUGGZ-CQSZACIVSA-N 2 0 334.489 3.147 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCC(=O)Nc2cccc(F)c2C)[C@H](C)C1 ZINC000429801042 458372958 /nfs/dbraw/zinc/37/29/58/458372958.db2.gz GAZDQDBGOMLZCH-KDOFPFPSSA-N 2 0 335.467 3.125 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)CC2 ZINC000423491308 458442386 /nfs/dbraw/zinc/44/23/86/458442386.db2.gz YYNFJBVGVYUBMQ-LSDHHAIUSA-N 2 0 337.305 3.428 10 0 EGAERP Cn1ccc([C@H]([NH2+]CCC[C@H]2CCC[NH2+]2)c2ccc(Cl)cc2)n1 ZINC000423489944 458442510 /nfs/dbraw/zinc/44/25/10/458442510.db2.gz XAWCCLHSFUXMDC-SJLPKXTDSA-N 2 0 332.879 3.285 10 0 EGAERP C[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(Cl)s1 ZINC000423506979 458446629 /nfs/dbraw/zinc/44/66/29/458446629.db2.gz JDOPMWFMMWPCBY-IYXRBSQSSA-N 2 0 327.925 3.269 10 0 EGAERP Cc1ccc(C[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C(C)C)cc1 ZINC000423511608 458446813 /nfs/dbraw/zinc/44/68/13/458446813.db2.gz NRCAWXVFILRALM-LZBANZJXSA-N 2 0 343.559 3.368 10 0 EGAERP CSc1ccc([C@H](C)[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000423525940 458451196 /nfs/dbraw/zinc/45/11/96/458451196.db2.gz YWCWHDZRINNTEI-ZLPCBKJTSA-N 2 0 333.545 3.276 10 0 EGAERP Fc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCC2 ZINC000423526609 458451418 /nfs/dbraw/zinc/45/14/18/458451418.db2.gz ZPHWWYGOBVWGIM-QLOJAFMTSA-N 2 0 331.479 3.009 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CC12CCSCC2 ZINC000423552847 458456665 /nfs/dbraw/zinc/45/66/65/458456665.db2.gz QCZUEGMRODJMNV-WRWLIDTKSA-N 2 0 344.524 3.365 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423716733 458475904 /nfs/dbraw/zinc/47/59/04/458475904.db2.gz YAVXJNQKVILFOV-UZLBHIALSA-N 2 0 337.467 3.053 10 0 EGAERP C[C@@H]1CCC[N@@H+](C(C)(C)CNC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC000460198387 458505313 /nfs/dbraw/zinc/50/53/13/458505313.db2.gz WBYVAQBAOFJDJT-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCc1ccc([C@H](CNC(=O)CC[C@@H]2CCCC[N@@H+]2C)[NH+](C)C)cc1 ZINC000431556762 458587921 /nfs/dbraw/zinc/58/79/21/458587921.db2.gz MFKIOPAAFROJHQ-PMACEKPBSA-N 2 0 345.531 3.232 10 0 EGAERP CC[N@H+](C)Cc1cccc(CNC(=O)CC[C@@H]2CCCC[NH+]2C)c1 ZINC000431727247 458614244 /nfs/dbraw/zinc/61/42/44/458614244.db2.gz JSPSYYYZKWDVAW-IBGZPJMESA-N 2 0 331.504 3.019 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C1CC[NH+](C(C)C)CC1)C(=O)OC(C)(C)C ZINC000424332984 458617341 /nfs/dbraw/zinc/61/73/41/458617341.db2.gz VVINXSITTLSHGQ-INIZCTEOSA-N 2 0 326.525 3.453 10 0 EGAERP COc1c[nH+]ccc1N1CC[NH+](CC[C@@H](C)c2ccccc2)CC1 ZINC000475621739 458954394 /nfs/dbraw/zinc/95/43/94/458954394.db2.gz GRTZYJRSMNLKOK-QGZVFWFLSA-N 2 0 325.456 3.406 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+]([C@@H]2CCN(Cc3ccccc3)C2)CC1 ZINC000557049046 459046048 /nfs/dbraw/zinc/04/60/48/459046048.db2.gz UFDOGMMJZKLJIF-OAQYLSRUSA-N 2 0 329.532 3.313 10 0 EGAERP C[C@@H](SCC1CC[NH2+]CC1)C(=O)Nc1ccc(-c2c[nH]cn2)cc1 ZINC000577607365 459060236 /nfs/dbraw/zinc/06/02/36/459060236.db2.gz MDQYVNHSVLNCEU-CYBMUJFWSA-N 2 0 344.484 3.137 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@@H](O)CC(C)(C)C)CC1 ZINC000532295402 459062694 /nfs/dbraw/zinc/06/26/94/459062694.db2.gz BLLZCAUIODHRCK-IBGZPJMESA-N 2 0 347.547 3.105 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)Nc2ccc3c(c2)nc2n3CCCCC2)C1 ZINC000557481961 459076032 /nfs/dbraw/zinc/07/60/32/459076032.db2.gz VYOSEBLACHDHLT-CQSZACIVSA-N 2 0 326.444 3.043 10 0 EGAERP CC[N@H+](Cc1cc(C(=O)OC)oc1C)Cc1ccc(C[NH+](C)C)cc1 ZINC000594607214 459109047 /nfs/dbraw/zinc/10/90/47/459109047.db2.gz QSCRWOSPEXRRPD-UHFFFAOYSA-N 2 0 344.455 3.458 10 0 EGAERP CC(C)(C)c1ccc(CC[NH2+]CCCC[N@@H+]2CCC[C@H]2CO)cc1 ZINC000558566419 459174971 /nfs/dbraw/zinc/17/49/71/459174971.db2.gz OMHVHWXXNMQNRT-FQEVSTJZSA-N 2 0 332.532 3.353 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+]CCc1ccccc1Br ZINC000481721313 459271578 /nfs/dbraw/zinc/27/15/78/459271578.db2.gz VRCQUXOIRXUOIL-IOASZLSFSA-N 2 0 325.294 3.310 10 0 EGAERP CCc1ccc([C@H](CN[C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)[NH+](C)C)cc1 ZINC000560531867 459368167 /nfs/dbraw/zinc/36/81/67/459368167.db2.gz FWQYRBIEWUCNLC-CGXNFDGLSA-N 2 0 329.532 3.314 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(OCC)cc2)CC[NH2+]CC1 ZINC000591567564 459402839 /nfs/dbraw/zinc/40/28/39/459402839.db2.gz YBQQNBDDODXVAJ-CVEARBPZSA-N 2 0 348.487 3.057 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H](c1ccccc1)[C@@H]1CCOC1 ZINC000541380022 459451086 /nfs/dbraw/zinc/45/10/86/459451086.db2.gz FCFBPFRJPOHYNX-WIYYLYMNSA-N 2 0 348.450 3.443 10 0 EGAERP C[C@H](CCO)C1(C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)CCC1 ZINC000569473937 459458857 /nfs/dbraw/zinc/45/88/57/459458857.db2.gz AAQSHNBEIOJLER-BLIXFSHQSA-N 2 0 344.499 3.021 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]Cc2ccc(C[NH3+])cc2)CC1 ZINC000569928351 459533211 /nfs/dbraw/zinc/53/32/11/459533211.db2.gz MKJIQGMSCTZNPI-GOSISDBHSA-N 3 0 337.511 3.331 10 0 EGAERP OCCC1(C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCC1 ZINC000499197552 459626432 /nfs/dbraw/zinc/62/64/32/459626432.db2.gz UFFQNGUNXBUNBE-OWZKRDHZSA-N 2 0 328.500 3.324 10 0 EGAERP COc1cc(C[NH2+][C@H]2CCc3nc[nH]c3C2)cc(C(F)(F)F)c1 ZINC000527708645 459709446 /nfs/dbraw/zinc/70/94/46/459709446.db2.gz DAQPQTBLUNMUKK-LBPRGKRZSA-N 2 0 325.334 3.084 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@@H]2CCCc3c(C)cccc32)CC[NH2+]CC1 ZINC000596652000 459714771 /nfs/dbraw/zinc/71/47/71/459714771.db2.gz DXAZAJFVAKSOQS-QFBILLFUSA-N 2 0 344.499 3.283 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4cc[nH]c4c3)cc2)C1 ZINC000527725448 459714842 /nfs/dbraw/zinc/71/48/42/459714842.db2.gz LSCRWLRUFFIGCF-HXUWFJFHSA-N 2 0 335.451 3.024 10 0 EGAERP C[NH+](C)C1CCN(C2C[NH+](C(c3ccccc3)c3ccccc3)C2)CC1 ZINC000584636460 459777394 /nfs/dbraw/zinc/77/73/94/459777394.db2.gz KNRLZGNCQAJHFR-UHFFFAOYSA-N 2 0 349.522 3.486 10 0 EGAERP CC(C)OC[C@@H](O)C[NH2+]CC1(N[C@H](C)c2ccccc2)CCCC1 ZINC000566118179 459808071 /nfs/dbraw/zinc/80/80/71/459808071.db2.gz XPJJHKJZDCDYEF-MJGOQNOKSA-N 2 0 334.504 3.026 10 0 EGAERP C[NH+](C)CCc1ccc(C[NH2+]C[C@@H](O)Cc2cccc(Cl)c2)cc1 ZINC000574393900 459813538 /nfs/dbraw/zinc/81/35/38/459813538.db2.gz ZDQZCJSKPUAQOS-FQEVSTJZSA-N 2 0 346.902 3.137 10 0 EGAERP COC(=O)c1ccc(C[NH2+]CC2CC[NH+](C3CC3)CC2)cc1Cl ZINC000597119129 459841982 /nfs/dbraw/zinc/84/19/82/459841982.db2.gz QYHUVHLEAGKCDH-UHFFFAOYSA-N 2 0 336.863 3.091 10 0 EGAERP CCO[C@@H](C[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1)C1CC1 ZINC000625424383 460169105 /nfs/dbraw/zinc/16/91/05/460169105.db2.gz UVTSPDPPYYQRNB-LEWJYISDSA-N 2 0 328.500 3.400 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]Cc2ccc3cccnc3c2)[C@H](C)C1 ZINC000604418242 460425087 /nfs/dbraw/zinc/42/50/87/460425087.db2.gz NKEDSBHNQSONHD-YLJYHZDGSA-N 2 0 341.499 3.461 10 0 EGAERP COc1cccc([C@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)c1 ZINC000623338127 460496821 /nfs/dbraw/zinc/49/68/21/460496821.db2.gz MIKXSOZIMFAMDP-ICSRJNTNSA-N 2 0 345.531 3.295 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+][C@@H]2[C@@H]3Cc4c(cccc4Br)[C@@H]32)[C@H](C)C1 ZINC000631663266 460497432 /nfs/dbraw/zinc/49/74/32/460497432.db2.gz XEXQPZBFOIBSJG-IERSGTSRSA-N 2 0 349.316 3.407 10 0 EGAERP CN(C)[C@@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)c1c(F)cccc1F ZINC000623420917 460539639 /nfs/dbraw/zinc/53/96/39/460539639.db2.gz SKXJATKAVMAWQM-CJNGLKHVSA-N 2 0 325.447 3.030 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)CC1(C)C ZINC000623429100 460544087 /nfs/dbraw/zinc/54/40/87/460544087.db2.gz MVINAUHZJZIJFE-LBPRGKRZSA-N 2 0 331.291 3.263 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623903292 460768450 /nfs/dbraw/zinc/76/84/50/460768450.db2.gz BKYJNFOHHGAOGA-SJLPKXTDSA-N 2 0 344.503 3.095 10 0 EGAERP [NH3+][C@@H]1CCC[C@H]([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)C1 ZINC000629519925 460792116 /nfs/dbraw/zinc/79/21/16/460792116.db2.gz SGMPNFVURUMUPW-LQWHRVPQSA-N 2 0 349.478 3.243 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCC[C@H]1c1cccc(C(F)(F)F)c1 ZINC000629530476 460798130 /nfs/dbraw/zinc/79/81/30/460798130.db2.gz HTXRDQDDLNLPBP-JKSUJKDBSA-N 2 0 330.394 3.167 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@H](C)c1ccc2ccccc2c1OC(F)F ZINC000629529004 460798317 /nfs/dbraw/zinc/79/83/17/460798317.db2.gz OYHKJOZKTLMJRY-CYBMUJFWSA-N 2 0 338.398 3.328 10 0 EGAERP Fc1cc(Br)c2c(c1)CC[N@@H+](CCC1CC[NH2+]CC1)C2 ZINC000629590042 460817881 /nfs/dbraw/zinc/81/78/81/460817881.db2.gz JHOLQCHWXZLDRR-UHFFFAOYSA-N 2 0 341.268 3.336 10 0 EGAERP CCC1([NH+](C)C)CCN(C(=O)NCCC[NH+](C(C)C)C(C)C)CC1 ZINC000633100976 460954919 /nfs/dbraw/zinc/95/49/19/460954919.db2.gz YTTKEPSGHMGSDR-UHFFFAOYSA-N 2 0 340.556 3.011 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+]Cc3oc(C)nc3C)CC2)cc1 ZINC000628210311 461049964 /nfs/dbraw/zinc/04/99/64/461049964.db2.gz PZTIKFDAENLTJX-UHFFFAOYSA-N 2 0 343.471 3.302 10 0 EGAERP CCO[C@H](C)c1nc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294230 461172279 /nfs/dbraw/zinc/17/22/79/461172279.db2.gz PZWFXYDMTCNQGF-GDBMZVCRSA-N 2 0 337.533 3.452 10 0 EGAERP [NH3+]Cc1ccc(C(=O)N[C@@H](C[NH+]2CCCCC2)c2ccccc2)cc1 ZINC000646409016 461241828 /nfs/dbraw/zinc/24/18/28/461241828.db2.gz YHKVYEWCTJOZHH-FQEVSTJZSA-N 2 0 337.467 3.102 10 0 EGAERP CC(C)CC[C@@H]([NH3+])C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000638114822 461251054 /nfs/dbraw/zinc/25/10/54/461251054.db2.gz YQRISQVMZXDIRB-RAFMOHDBSA-N 2 0 343.515 3.062 10 0 EGAERP C[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)[C@H](C)O1 ZINC000649721036 461302986 /nfs/dbraw/zinc/30/29/86/461302986.db2.gz IVNXPUSAPDFWIS-CVVQJBQKSA-N 2 0 328.500 3.443 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCC(C)([NH+]2CCCC2)CC1 ZINC000633943130 461342467 /nfs/dbraw/zinc/34/24/67/461342467.db2.gz CKWDUUNJXRSXDP-UHFFFAOYSA-N 2 0 337.552 3.366 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)C2([NH2+]C3CC3)CCC2)CC1 ZINC000662826193 461383739 /nfs/dbraw/zinc/38/37/39/461383739.db2.gz WCVKXFFZOFAFHS-QGZVFWFLSA-N 2 0 347.547 3.164 10 0 EGAERP c1ccc2c(CC[NH2+]C3CCN(c4cc[nH+]cc4)CC3)nsc2c1 ZINC000668711907 461392800 /nfs/dbraw/zinc/39/28/00/461392800.db2.gz JYZNYCUGTSXNDY-UHFFFAOYSA-N 2 0 338.480 3.492 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC(CC)([NH+](C)C)CC2)cc1 ZINC000634120739 461423955 /nfs/dbraw/zinc/42/39/55/461423955.db2.gz MDWKEIMSNLLLGP-UHFFFAOYSA-N 2 0 345.531 3.475 10 0 EGAERP COc1ccc([C@@H](Cc2ccncc2)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1 ZINC000655804096 461464301 /nfs/dbraw/zinc/46/43/01/461464301.db2.gz PAEYSRJFBSUCMN-SLYNCCJLSA-N 2 0 339.483 3.304 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCC3(CCCC3)O2)cc1 ZINC000655862259 461510015 /nfs/dbraw/zinc/51/00/15/461510015.db2.gz ZAIMDOODANKAMC-IBGZPJMESA-N 2 0 332.488 3.208 10 0 EGAERP CC[N@@H+]1CCC[C@@H]1CN[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000647167677 461537454 /nfs/dbraw/zinc/53/74/54/461537454.db2.gz OGIPRTKWIMUEQL-WOJBJXKFSA-N 2 0 327.516 3.258 10 0 EGAERP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655940058 461547907 /nfs/dbraw/zinc/54/79/07/461547907.db2.gz OJPPRXYKWHZEMZ-RBUKOAKNSA-N 2 0 338.442 3.116 10 0 EGAERP c1cc(C[NH2+]CCCCC[NH+]2CCCCC2)n(-c2ccccn2)n1 ZINC000647183460 461549599 /nfs/dbraw/zinc/54/95/99/461549599.db2.gz ZRJYSDZOXZTQTC-UHFFFAOYSA-N 2 0 327.476 3.013 10 0 EGAERP c1ccc(C[NH+]2CC[C@H](N[C@H]3CC[N@@H+](CC4CC4)C3)CC23CC3)cc1 ZINC000647181667 461551238 /nfs/dbraw/zinc/55/12/38/461551238.db2.gz MHIIYJHWBVBOAD-SFTDATJTSA-N 2 0 339.527 3.258 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]C[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000663344239 461571532 /nfs/dbraw/zinc/57/15/32/461571532.db2.gz PYVVFVODFOTRJB-GOSISDBHSA-N 2 0 338.499 3.299 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+]CC2=Cc3ccccc3OC2)[C@H](c2ccccc2)C1 ZINC000647249023 461589116 /nfs/dbraw/zinc/58/91/16/461589116.db2.gz XVBJCNQWBZAMTN-RTWAWAEBSA-N 2 0 334.463 3.397 10 0 EGAERP COc1cc2cc[nH+]c(NC3CC[NH+](C4CC4)CC3)c2cc1OC ZINC000663371806 461598242 /nfs/dbraw/zinc/59/82/42/461598242.db2.gz WEVZNSQOMLJKRH-UHFFFAOYSA-N 2 0 327.428 3.291 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H](CC(C)C)c2ccncc2)CC1 ZINC000647287949 461614613 /nfs/dbraw/zinc/61/46/13/461614613.db2.gz ZHLMZIAWPCFXOR-UYAOXDASSA-N 2 0 332.536 3.032 10 0 EGAERP CCO[C@H]1C[C@@H]([NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)C12CCC2 ZINC000647344663 461646542 /nfs/dbraw/zinc/64/65/42/461646542.db2.gz WKKGPYJLRJFOCD-WCIQWLHISA-N 2 0 328.500 3.269 10 0 EGAERP CC(C)[C@H]([NH3+])CC[NH2+][C@H](C)CC(=O)N(C)Cc1cccc(Cl)c1 ZINC000663502421 461674899 /nfs/dbraw/zinc/67/48/99/461674899.db2.gz ISKGOSBDATUKQR-RHSMWYFYSA-N 2 0 339.911 3.040 10 0 EGAERP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000647480307 461727509 /nfs/dbraw/zinc/72/75/09/461727509.db2.gz JFZUPPNODXCHSC-GIVPXCGWSA-N 2 0 344.499 3.208 10 0 EGAERP c1ccc(C[NH+]2C[C@H]3[C@H](C2)[C@@H]2CC[C@H]3C[N@H+]2C[C@@H]2CCCO2)cc1 ZINC000656405402 461735528 /nfs/dbraw/zinc/73/55/28/461735528.db2.gz PVVKKVHAZDSPHX-WHZJULEDSA-N 2 0 326.484 3.008 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)NCCCC[NH+]1CCCC[C@H]1C ZINC000663655481 461737601 /nfs/dbraw/zinc/73/76/01/461737601.db2.gz NTFBSYCMAKZMOJ-QGZVFWFLSA-N 2 0 340.556 3.061 10 0 EGAERP C[C@@]1(CCNc2ncnc3c2cnn3-c2ccncc2)CC1(F)F ZINC000656473598 461757665 /nfs/dbraw/zinc/75/76/65/461757665.db2.gz PSNFLHZFZBXZSA-OAHLLOKOSA-N 2 0 330.342 3.058 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+]CCc2noc3ccccc23)[C@H](C)C1 ZINC000653619963 461765402 /nfs/dbraw/zinc/76/54/02/461765402.db2.gz JYGILSFFHTXCJA-SJLPKXTDSA-N 2 0 345.487 3.097 10 0 EGAERP COc1cc2cc[nH+]c(N3CC[C@]4(C3)CCC[N@H+](C)C4)c2cc1OC ZINC000663940035 461880486 /nfs/dbraw/zinc/88/04/86/461880486.db2.gz USHNQLHOZPSBPJ-HXUWFJFHSA-N 2 0 341.455 3.174 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC12CC[NH2+]CC2 ZINC000666953602 461886402 /nfs/dbraw/zinc/88/64/02/461886402.db2.gz BSUNXLTZMVRKDS-XHDPSFHLSA-N 2 0 341.268 3.251 10 0 EGAERP CCn1c2ccccc2nc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656784801 461894719 /nfs/dbraw/zinc/89/47/19/461894719.db2.gz HLXNESVRGWADIS-KRWDZBQOSA-N 2 0 326.488 3.268 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]CCC1(C[NH3+])CC1 ZINC000650714085 461906708 /nfs/dbraw/zinc/90/67/08/461906708.db2.gz QOWLNKAHUIRSGQ-LLVKDONJSA-N 2 0 329.257 3.238 10 0 EGAERP CC[C@@H]([NH2+]C/C=C/C[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653874087 461910452 /nfs/dbraw/zinc/91/04/52/461910452.db2.gz AWYSCRGEASISFR-CWIIOTMOSA-N 2 0 338.536 3.417 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(C(C)C)nc2sc(C)nn12 ZINC000650719546 461911117 /nfs/dbraw/zinc/91/11/17/461911117.db2.gz UIHMSQHROWYQLO-UHFFFAOYSA-N 2 0 343.500 3.232 10 0 EGAERP CN1CC[C@H]([NH2+]CCCC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647992530 461926572 /nfs/dbraw/zinc/92/65/72/461926572.db2.gz MFWMHGCMEBVXLU-OALUTQOASA-N 2 0 337.458 3.079 10 0 EGAERP CC(C)N1CC[C@H]([NH2+]C[C@H]2CC[NH2+]C2)[C@H]1c1ccc(Cl)c(F)c1 ZINC000647992623 461926796 /nfs/dbraw/zinc/92/67/96/461926796.db2.gz SYUPRCZAGTXHSA-DOPJRALCSA-N 2 0 339.886 3.202 10 0 EGAERP CN1CC[C@@H]([NH2+]CCCC2CC[NH2+]CC2)[C@@H]1c1ccc(F)c(F)c1 ZINC000647992529 461926994 /nfs/dbraw/zinc/92/69/94/461926994.db2.gz MFWMHGCMEBVXLU-MOPGFXCFSA-N 2 0 337.458 3.079 10 0 EGAERP CCN(CC)C(=O)Nc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)cc1 ZINC000650744098 461929570 /nfs/dbraw/zinc/92/95/70/461929570.db2.gz GGWADNYSRTVKOJ-OAHLLOKOSA-N 2 0 332.492 3.340 10 0 EGAERP C[C@H](Cc1ccc(F)cc1Br)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746862 461930701 /nfs/dbraw/zinc/93/07/01/461930701.db2.gz MLOVRJCYMMZHKB-LLVKDONJSA-N 2 0 329.257 3.238 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)CC(=O)Nc1cccc(C)c1 ZINC000650759272 461938584 /nfs/dbraw/zinc/93/85/84/461938584.db2.gz HYXAUIZKDVJEMY-INIZCTEOSA-N 2 0 325.456 3.221 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657297946 462027285 /nfs/dbraw/zinc/02/72/85/462027285.db2.gz QSMLJABJEVGUTO-UHFFFAOYSA-N 3 0 349.482 3.399 10 0 EGAERP CN1CC[NH+](CCCC[NH2+]Cc2cccc(C3CCCC3)c2)CC1 ZINC000657307540 462032377 /nfs/dbraw/zinc/03/23/77/462032377.db2.gz HQAQUBOVYGUFJP-UHFFFAOYSA-N 2 0 329.532 3.461 10 0 EGAERP Cc1ccc2cc(C[NH2+]C3CC[NH+](C[C@@H]4CCOC4)CC3)[nH]c2c1 ZINC000657365299 462074217 /nfs/dbraw/zinc/07/42/17/462074217.db2.gz ZTSFBEADWLBSQH-INIZCTEOSA-N 2 0 327.472 3.067 10 0 EGAERP CCO[C@@H](CC[NH2+]Cc1ccnn1-c1cc[nH+]cc1)C1CCCC1 ZINC000657384231 462087243 /nfs/dbraw/zinc/08/72/43/462087243.db2.gz NNBCPKBSBWWLIE-IBGZPJMESA-N 2 0 328.460 3.342 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CO1 ZINC000657432630 462119701 /nfs/dbraw/zinc/11/97/01/462119701.db2.gz ULYALDYMJDUPKS-VIYGXFRKSA-N 2 0 328.500 3.444 10 0 EGAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657461537 462138533 /nfs/dbraw/zinc/13/85/33/462138533.db2.gz HVUVMTCLHZGSKD-GOSISDBHSA-N 2 0 338.386 3.192 10 0 EGAERP CC[C@@]1(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)OCCc2ccccc21 ZINC000657468177 462142262 /nfs/dbraw/zinc/14/22/62/462142262.db2.gz KZCSYDQXXYORTN-NRFANRHFSA-N 2 0 348.450 3.235 10 0 EGAERP Cc1cc(N2CCO[C@@H](CCC[NH+](C)C)C2)c2cc(F)ccc2[nH+]1 ZINC000664658103 462142504 /nfs/dbraw/zinc/14/25/04/462142504.db2.gz OXHRVQOOWVDFMR-INIZCTEOSA-N 2 0 331.435 3.229 10 0 EGAERP Cc1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1cnn2c1CCC2 ZINC000667687297 462214996 /nfs/dbraw/zinc/21/49/96/462214996.db2.gz IGDBNPXGOPKTHW-KRWDZBQOSA-N 2 0 335.455 3.152 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCc2ccoc2)CC1 ZINC000657653630 462216747 /nfs/dbraw/zinc/21/67/47/462216747.db2.gz MDWLIVJDLWEPNL-UHFFFAOYSA-N 2 0 327.472 3.144 10 0 EGAERP COCc1csc(C[NH2+]Cc2cn(-c3cc[nH+]cc3)nc2C)c1 ZINC000657659065 462219924 /nfs/dbraw/zinc/21/99/24/462219924.db2.gz BXRAFHQWYMYBLC-UHFFFAOYSA-N 2 0 328.441 3.073 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]C[C@@]2(C)CC2(F)F)CC1 ZINC000657666010 462221234 /nfs/dbraw/zinc/22/12/34/462221234.db2.gz RHKYAPPYYMIWOG-MRXNPFEDSA-N 2 0 343.849 3.227 10 0 EGAERP CCO[C@@H]1C[C@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000667704381 462222331 /nfs/dbraw/zinc/22/23/31/462222331.db2.gz IDESPIYYXBXPFK-ZWKOTPCHSA-N 2 0 326.444 3.047 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C2CCC(OC(F)F)CC2)[C@@H](C)C1 ZINC000651469381 462237771 /nfs/dbraw/zinc/23/77/71/462237771.db2.gz LMAVLAJDWUDJIN-OTBWCIGPSA-N 2 0 348.478 3.263 10 0 EGAERP CC(C)[C@@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)c1ccccc1F ZINC000661485853 462266674 /nfs/dbraw/zinc/26/66/74/462266674.db2.gz LQEHKOTWHPXECJ-HXUWFJFHSA-N 2 0 349.494 3.101 10 0 EGAERP CC[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CCCSCC3)cc2)CC1 ZINC000657838659 462291099 /nfs/dbraw/zinc/29/10/99/462291099.db2.gz DWDVEYATQAMIQX-HXUWFJFHSA-N 2 0 347.572 3.199 10 0 EGAERP C[NH+]1CCN(C(C)(C)C[NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651674215 462299062 /nfs/dbraw/zinc/29/90/62/462299062.db2.gz GZOFGAGGSOSVOB-OAHLLOKOSA-N 2 0 339.886 3.082 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)C(C)(C)C(F)F ZINC000657969944 462331563 /nfs/dbraw/zinc/33/15/63/462331563.db2.gz WUKRRAHMMUXDDD-BBRMVZONSA-N 2 0 326.431 3.023 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)C(C)(C)C(F)F ZINC000657969947 462331810 /nfs/dbraw/zinc/33/18/10/462331810.db2.gz WUKRRAHMMUXDDD-XJKSGUPXSA-N 2 0 326.431 3.023 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@@H]1CCN(Cc2ccccc2)[C@H]1C ZINC000658012640 462346309 /nfs/dbraw/zinc/34/63/09/462346309.db2.gz HLNSPOQSPBCYIH-DZFGPLHGSA-N 2 0 346.515 3.071 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@H]([NH2+][C@@H]4CO[C@@H](C5CC5)C4)[C@@H]3C2)cc1 ZINC000667972931 462354712 /nfs/dbraw/zinc/35/47/12/462354712.db2.gz CFEGRIWUZOLTIL-JRSUCEMESA-N 2 0 326.484 3.054 10 0 EGAERP Cc1nc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C)s1 ZINC000658066694 462364614 /nfs/dbraw/zinc/36/46/14/462364614.db2.gz DAUJHFYSVWBWSH-CYBMUJFWSA-N 2 0 337.533 3.302 10 0 EGAERP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@H]1OC ZINC000658068334 462366155 /nfs/dbraw/zinc/36/61/55/462366155.db2.gz WDFCOKIIIUIKGB-RTBURBONSA-N 2 0 338.536 3.061 10 0 EGAERP FCCC[C@H]1CCC[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658070075 462367382 /nfs/dbraw/zinc/36/73/82/462367382.db2.gz KRBZVBVDCTZPNV-MJGOQNOKSA-N 2 0 326.500 3.385 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](c2ccccc2)CO1 ZINC000665263344 462375253 /nfs/dbraw/zinc/37/52/53/462375253.db2.gz KTXGIDDHGVMRBJ-LJHODMEESA-N 2 0 325.456 3.072 10 0 EGAERP COC[C@H](CC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@H]21)OC ZINC000658083456 462375530 /nfs/dbraw/zinc/37/55/30/462375530.db2.gz QQWJFWJEXGGUEK-UWHLTILDSA-N 2 0 346.515 3.071 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+][C@H]1CCc2cc(N)ccc21 ZINC000665269730 462377994 /nfs/dbraw/zinc/37/79/94/462377994.db2.gz LWNMIYOTPVZCAX-NQERJWCQSA-N 2 0 336.483 3.151 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)c(C)o1 ZINC000658137613 462402104 /nfs/dbraw/zinc/40/21/04/462402104.db2.gz KNTQILKJNJGPSS-DNVCBOLYSA-N 2 0 328.456 3.314 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000658138422 462402928 /nfs/dbraw/zinc/40/29/28/462402928.db2.gz NCZABLIZIBQXKD-VQTJNVASSA-N 2 0 339.483 3.279 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]C3CC(c4ccccc4)C3)cc2)C1 ZINC000658140001 462403679 /nfs/dbraw/zinc/40/36/79/462403679.db2.gz RRNWEEXHWLZZAE-LZBANZJXSA-N 2 0 336.479 3.289 10 0 EGAERP Cc1nc(C)c([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658143212 462406626 /nfs/dbraw/zinc/40/66/26/462406626.db2.gz XRUUNNDLIRSCEH-FZKQIMNGSA-N 2 0 345.512 3.177 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCO[C@H]2CC2(F)F)CC1 ZINC000658169600 462418114 /nfs/dbraw/zinc/41/81/14/462418114.db2.gz HJMNJBOXIMAUOM-QAPCUYQASA-N 2 0 338.442 3.096 10 0 EGAERP C[C@@H](C[NH2+][C@H](c1cccnc1)C1CCCCC1)CN1CC[NH+](C)CC1 ZINC000652149069 462451257 /nfs/dbraw/zinc/45/12/57/462451257.db2.gz QJFMSKICACWACT-RXVVDRJESA-N 2 0 344.547 3.176 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCOC1 ZINC000658319490 462474879 /nfs/dbraw/zinc/47/48/79/462474879.db2.gz CKYQCKLTLLMHFI-YSIASYRMSA-N 2 0 328.500 3.303 10 0 EGAERP C[C@@H]1COCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319245 462475288 /nfs/dbraw/zinc/47/52/88/462475288.db2.gz YJDDXKIXBFEKOP-MISYRCLQSA-N 2 0 328.500 3.303 10 0 EGAERP COc1ccccc1-c1cc(C[NH2+][C@@H](C)C2CC[NH+](C)CC2)on1 ZINC000658357755 462488381 /nfs/dbraw/zinc/48/83/81/462488381.db2.gz RYEALAIWHQDEPZ-AWEZNQCLSA-N 2 0 329.444 3.170 10 0 EGAERP CCn1c(C[N@@H+]2CCC[C@@H]([C@@H]3CCC[NH2+]C3)C2)nc2cc(F)ccc21 ZINC000649417782 462504210 /nfs/dbraw/zinc/50/42/10/462504210.db2.gz GWGGLWLDPJORCZ-HZPDHXFCSA-N 2 0 344.478 3.407 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)Nc1ccc(OCC[NH+](CC)CC)cc1 ZINC000354605997 534901561 /nfs/dbraw/zinc/90/15/61/534901561.db2.gz UOMIITFWFWECAC-IBGZPJMESA-N 2 0 347.503 3.220 10 0 EGAERP CC[NH+](CC)[C@H](C)CNCc1ccccc1N(C)C1CC[NH+](C)CC1 ZINC000132877822 528266845 /nfs/dbraw/zinc/26/68/45/528266845.db2.gz ZHMAZBNIMJDJRC-GOSISDBHSA-N 2 0 346.563 3.037 10 0 EGAERP CCC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000154935231 528841132 /nfs/dbraw/zinc/84/11/32/528841132.db2.gz RSSPWAOZLUJXST-NXEWRWPSSA-N 2 0 343.515 3.029 10 0 EGAERP CCC[NH+]1CCC(N[C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000310883085 547462096 /nfs/dbraw/zinc/46/20/96/547462096.db2.gz WYQKFBXGFQIBAA-KSEOMHKRSA-N 2 0 341.543 3.361 10 0 EGAERP CC(C)[C@H](C[NH2+][C@@H](C)c1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000391181683 547830608 /nfs/dbraw/zinc/83/06/08/547830608.db2.gz JLAGAMVONWSDKM-KSSFIOAISA-N 2 0 341.902 3.402 10 0 EGAERP O[C@H](C[NH2+][C@@H](Cc1ccccc1)C1CCCCC1)C[NH+]1CCCC1 ZINC000481035804 547963814 /nfs/dbraw/zinc/96/38/14/547963814.db2.gz LHECVQSPPZXUSP-RTWAWAEBSA-N 2 0 330.516 3.224 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](C)c1ccncc1)c1cccc(OCC[NH+](C)C)c1 ZINC000675928718 549007247 /nfs/dbraw/zinc/00/72/47/549007247.db2.gz VWPSFCDJZQUKAD-IAGOWNOFSA-N 2 0 327.472 3.476 10 0 EGAERP C[C@@H]1Cc2ccccc2N1C1CC[NH+](CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC000678079677 549391890 /nfs/dbraw/zinc/39/18/90/549391890.db2.gz VMNSKGWBCIGYET-MJGOQNOKSA-N 2 0 327.516 3.386 10 0 EGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+]CCc3ccc(C(C)(C)C)cc3)C2)CC1 ZINC000685841405 550447219 /nfs/dbraw/zinc/44/72/19/550447219.db2.gz VPUZZQBWWABGLJ-HXUWFJFHSA-N 2 0 343.559 3.285 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2cc(=O)oc3cc(O)ccc23)CC1 ZINC000728570452 574758781 /nfs/dbraw/zinc/75/87/81/574758781.db2.gz LGYVVDFPRWVBCH-UHFFFAOYSA-N 2 0 344.455 3.052 10 0 EGAERP CCCCC[C@](C)(CC)C(=O)N1C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C1 ZINC000870019320 1295598195 /nfs/dbraw/zinc/59/81/95/1295598195.db2.gz DWYSXOMWWGYVIV-GGPKGHCWSA-N 2 0 339.568 3.181 10 0 EGAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000872024707 1296668486 /nfs/dbraw/zinc/66/84/86/1296668486.db2.gz DEWCDPXYNLVSCO-SLFFLAALSA-N 2 0 334.479 3.378 10 0 EGAERP C[C@@H](C(=O)Nc1ccc(F)cc1Cl)[N@H+](C)CCCCCC[NH3+] ZINC000872155211 1296773672 /nfs/dbraw/zinc/77/36/72/1296773672.db2.gz NVHTYBUCZJXART-LBPRGKRZSA-N 2 0 329.847 3.257 10 0 EGAERP C[NH2+]C1C[C@H]2CC[C@@H](C1)N2C[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000379688117 1297538155 /nfs/dbraw/zinc/53/81/55/1297538155.db2.gz WDFNLIGOVGZTID-VTHDOGFWSA-N 2 0 327.516 3.256 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]CCC2CCN(C(=O)OC(C)(C)C)CC2)CC1 ZINC000704003194 1298203969 /nfs/dbraw/zinc/20/39/69/1298203969.db2.gz VKRVZBDEHNNDDI-KRWDZBQOSA-N 2 0 339.524 3.098 10 0 EGAERP c1ccc(C[N@H+]2CCC[C@@H](C[NH2+][C@H]3CCCC4(C3)OCCO4)C2)cc1 ZINC000712702258 1298267695 /nfs/dbraw/zinc/26/76/95/1298267695.db2.gz QBEBMXZLOCQALI-PMACEKPBSA-N 2 0 344.499 3.174 10 0 EGAERP c1cnn(C2CC([NH2+]CCC3CC[NH+](Cc4ccccc4)CC3)C2)c1 ZINC000877697942 1299490129 /nfs/dbraw/zinc/49/01/29/1299490129.db2.gz SGCHRFXQTZDQKA-UHFFFAOYSA-N 2 0 338.499 3.479 10 0 EGAERP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000886872425 1303620986 /nfs/dbraw/zinc/62/09/86/1303620986.db2.gz RXIFBINYDDOQDL-SFTDATJTSA-N 2 0 344.499 3.210 10 0 EGAERP Cc1ccnc(N)c1C[NH2+]CC1CC[NH+](Cc2cccs2)CC1 ZINC000894210368 1306279752 /nfs/dbraw/zinc/27/97/52/1306279752.db2.gz FETFTWUPAVXTDP-UHFFFAOYSA-N 2 0 330.501 3.036 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NCCC[NH2+]C2CCCCC2)[C@@H]1c1ccccc1 ZINC000896443972 1309862592 /nfs/dbraw/zinc/86/25/92/1309862592.db2.gz CJYLNZKIGAUYGI-PMACEKPBSA-N 2 0 343.515 3.108 10 0 EGAERP C[C@@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000858109976 1328684935 /nfs/dbraw/zinc/68/49/35/1328684935.db2.gz FALYMANWTLWYFK-ZBFHGGJFSA-N 2 0 331.460 3.167 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+][C@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000858506163 1328783570 /nfs/dbraw/zinc/78/35/70/1328783570.db2.gz SAQMPHUXWKVMNG-UXPWSPDFSA-N 2 0 342.483 3.139 10 0 EGAERP Cc1cc(CN(C)C2C[C@H]3CC[C@@H](C2)[N@H+]3C)cnc1Br ZINC000930461122 1328862419 /nfs/dbraw/zinc/86/24/19/1328862419.db2.gz UMSOVRLDFFIIKR-YIONKMFJSA-N 2 0 338.293 3.210 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921537004 1322344447 /nfs/dbraw/zinc/34/44/47/1322344447.db2.gz SURBBQKAHZATGO-QGZVFWFLSA-N 2 0 344.478 3.374 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CC[C@H]4COCC[C@H]4C3)CC2)cc[nH+]1 ZINC000921960881 1322430705 /nfs/dbraw/zinc/43/07/05/1322430705.db2.gz LBWISTMAPSJBSS-GBESFXJTSA-N 2 0 329.488 3.093 10 0 EGAERP CS[C@H]1CCC[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C1 ZINC000922235065 1322484806 /nfs/dbraw/zinc/48/48/06/1322484806.db2.gz QTXGWELGRPQVKH-AEFFLSMTSA-N 2 0 326.550 3.141 10 0 EGAERP Cn1cc(C[NH2+]CC2CC[NH+](CC3CC3)CC2)c(C2CCCC2)n1 ZINC000922269427 1322490496 /nfs/dbraw/zinc/49/04/96/1322490496.db2.gz YWOJDPUNOVFMAT-UHFFFAOYSA-N 2 0 330.520 3.289 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+]Cc2ccc(Br)cn2)CC1 ZINC000922846617 1322631769 /nfs/dbraw/zinc/63/17/69/1322631769.db2.gz CNVDKAVAFPRXIQ-UHFFFAOYSA-N 2 0 338.293 3.341 10 0 EGAERP Fc1ccccc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923380004 1322742866 /nfs/dbraw/zinc/74/28/66/1322742866.db2.gz UFJRLLRLOCRHOZ-PXNSSMCTSA-N 2 0 340.442 3.078 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(Br)c3cccnc23)CC[C@H]1C[NH3+] ZINC000923496058 1322761235 /nfs/dbraw/zinc/76/12/35/1322761235.db2.gz ZKJGSZQBZWJVGS-OLZOCXBDSA-N 2 0 348.288 3.414 10 0 EGAERP C[C@H](c1nc(-c2ccc(Cl)cc2)no1)[N@@H+]1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000923498113 1322762298 /nfs/dbraw/zinc/76/22/98/1322762298.db2.gz JIHDZEZETQMZHB-YRGRVCCFSA-N 2 0 334.851 3.368 10 0 EGAERP C[C@@H]([NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924629872 1323084099 /nfs/dbraw/zinc/08/40/99/1323084099.db2.gz SQHIWICLLAOIAL-GFCCVEGCSA-N 2 0 349.466 3.444 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674126 1323105548 /nfs/dbraw/zinc/10/55/48/1323105548.db2.gz YCWTUCKKNIZHMJ-OLZOCXBDSA-N 2 0 349.466 3.444 10 0 EGAERP COC1(OC)CC[C@@H]1[NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H](C)C1 ZINC000924679746 1323109920 /nfs/dbraw/zinc/10/99/20/1323109920.db2.gz METOIVKGYVSFAM-LPHOPBHVSA-N 2 0 332.488 3.160 10 0 EGAERP CC[C@H](C[C@](C)(O)CC)[NH2+]C[C@@H]1CC[N@H+](CCc2ccccc2)C1 ZINC000924938365 1323221144 /nfs/dbraw/zinc/22/11/44/1323221144.db2.gz KYBNENUFXDWPSD-PWRODBHTSA-N 2 0 332.532 3.470 10 0 EGAERP COc1cc([C@H](C)[NH2+]C[C@H](C)N2CC[NH+](C)CC2)cc2ccccc21 ZINC000924967066 1323232178 /nfs/dbraw/zinc/23/21/78/1323232178.db2.gz WFSPSXHJFQVLLY-IRXDYDNUSA-N 2 0 341.499 3.135 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@H]2CCN(CC3CC3)C2)cc1 ZINC000925015722 1323244518 /nfs/dbraw/zinc/24/45/18/1323244518.db2.gz KTPLDENFJNMRBO-FCHUYYIVSA-N 2 0 335.495 3.309 10 0 EGAERP CC(C)C[N@H+](C[C@@H]1CC[C@H](C(F)(F)F)O1)CC1CC[NH+](C)CC1 ZINC000931565546 1329146189 /nfs/dbraw/zinc/14/61/89/1329146189.db2.gz QPHHAUJCBYWAMU-JKSUJKDBSA-N 2 0 336.442 3.396 10 0 EGAERP C[C@H]([NH2+]CCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1)c1cnn(C2CCC2)c1 ZINC000925440380 1325150096 /nfs/dbraw/zinc/15/00/96/1325150096.db2.gz RDYUTCDWZXAFBT-BBWFWOEESA-N 2 0 334.508 3.148 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)C[C@@H]([NH3+])C1 ZINC000925476275 1325167653 /nfs/dbraw/zinc/16/76/53/1325167653.db2.gz HHVYOUNMUGFQOQ-MOPGFXCFSA-N 2 0 346.515 3.378 10 0 EGAERP COc1ccc(CCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1OC ZINC000925482982 1325169798 /nfs/dbraw/zinc/16/97/98/1325169798.db2.gz VMDHGNURNMTXMR-RBUKOAKNSA-N 2 0 346.515 3.394 10 0 EGAERP COc1ccc([C@H](CN[C@@H]2CC[NH2+]C23CCC3)[NH+]2CCCCC2)cc1 ZINC000925505374 1325181964 /nfs/dbraw/zinc/18/19/64/1325181964.db2.gz NLPOJCLHEFVBLX-VQTJNVASSA-N 2 0 343.515 3.096 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C1 ZINC000925524708 1325190352 /nfs/dbraw/zinc/19/03/52/1325190352.db2.gz YLXVDHBGEPFUFS-RDJZCZTQSA-N 2 0 330.451 3.050 10 0 EGAERP [NH3+][C@@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C12CCC2 ZINC000925533071 1325194716 /nfs/dbraw/zinc/19/47/16/1325194716.db2.gz JAAYXJLCMBFSAF-CABCVRRESA-N 2 0 328.378 3.125 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccc(OCC(F)(F)F)nc2)C1 ZINC000925544642 1325201629 /nfs/dbraw/zinc/20/16/29/1325201629.db2.gz BXHCRQFXQWMJKY-STQMWFEESA-N 2 0 331.382 3.018 10 0 EGAERP Cc1ccc([C@H](CN[C@H]2CC[NH2+]C[C@H]2C2CCCC2)[NH+]2CCCC2)o1 ZINC000925557399 1325207001 /nfs/dbraw/zinc/20/70/01/1325207001.db2.gz OFIWNFVVQQDRPJ-UFYCRDLUSA-N 2 0 345.531 3.483 10 0 EGAERP O[C@@H]1CCC[C@@H]1[NH+]1CCC([NH2+]C2CC(Sc3ccccc3)C2)CC1 ZINC000925556098 1325207305 /nfs/dbraw/zinc/20/73/05/1325207305.db2.gz JUWNWWZPCSUPJD-DXBWTPJFSA-N 2 0 346.540 3.277 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565229 1325211657 /nfs/dbraw/zinc/21/16/57/1325211657.db2.gz YLGPRENPNMZXHC-QUCCMNQESA-N 2 0 329.532 3.455 10 0 EGAERP Cc1ccccc1C[NH+]1CCC(N[C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925565228 1325212020 /nfs/dbraw/zinc/21/20/20/1325212020.db2.gz YLGPRENPNMZXHC-ICSRJNTNSA-N 2 0 329.532 3.455 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)[C@@H]1c1ccc(F)c(F)c1 ZINC000925625585 1325236825 /nfs/dbraw/zinc/23/68/25/1325236825.db2.gz GRDAEERWAHCOHM-KNCCTNLNSA-N 2 0 337.458 3.206 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1ccccc1 ZINC000925723317 1325270255 /nfs/dbraw/zinc/27/02/55/1325270255.db2.gz PJIBMDXNGNYBLQ-CABCVRRESA-N 2 0 326.366 3.056 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]Cc1cc2cc(Br)ccc2o1 ZINC000925759641 1325289191 /nfs/dbraw/zinc/28/91/91/1325289191.db2.gz QDRNEKHGAKDKIS-ZDUSSCGKSA-N 2 0 341.249 3.039 10 0 EGAERP Fc1ccc([C@H](C[C@H]2CCOC2)[NH2+]C[C@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925776816 1325294718 /nfs/dbraw/zinc/29/47/18/1325294718.db2.gz MKSDVFUKPVBRBN-UNEWFSDZSA-N 2 0 342.405 3.128 10 0 EGAERP C[C@@H]1C[NH2+]C[C@H]1CC[NH2+][C@H]1CCCc2ncc(C(F)(F)F)cc21 ZINC000925803765 1325307696 /nfs/dbraw/zinc/30/76/96/1325307696.db2.gz UXHICMOHUUYMJP-JMSVASOKSA-N 2 0 327.394 3.313 10 0 EGAERP CC[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(Cl)c(Cl)c1 ZINC000925808548 1325309941 /nfs/dbraw/zinc/30/99/41/1325309941.db2.gz MEHYRAFOIDVCAR-INIZCTEOSA-N 2 0 330.303 3.457 10 0 EGAERP C[C@@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000925809423 1325311709 /nfs/dbraw/zinc/31/17/09/1325311709.db2.gz VENBPOMULDSPDM-OAHLLOKOSA-N 2 0 345.487 3.228 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@@H](c2ccc(Cl)c(Cl)c2)C2CC2)CC1 ZINC000925814110 1325313538 /nfs/dbraw/zinc/31/35/38/1325313538.db2.gz GFDUOCCVCFIGGV-QGZVFWFLSA-N 2 0 342.314 3.457 10 0 EGAERP COc1ccc([C@@H]([NH2+]CCCCCN2CC[NH2+]CC2)C(C)C)cc1 ZINC000925846990 1325328432 /nfs/dbraw/zinc/32/84/32/1325328432.db2.gz ZEXDTZJBEUJKFP-FQEVSTJZSA-N 2 0 333.520 3.057 10 0 EGAERP COc1ccc(Cl)cc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925848289 1325328804 /nfs/dbraw/zinc/32/88/04/1325328804.db2.gz DVVZWEVOHUKFPQ-HNNXBMFYSA-N 2 0 339.911 3.075 10 0 EGAERP CC1(C)CC[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925850432 1325329492 /nfs/dbraw/zinc/32/94/92/1325329492.db2.gz OQECALZMECYLMY-CRAIPNDOSA-N 2 0 342.483 3.074 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCCC[C@H]2CCCO)[C@H](c2ccccc2)C1 ZINC000926634138 1327644663 /nfs/dbraw/zinc/64/46/63/1327644663.db2.gz DNPXXUKKIVKDQD-JSXRDJHFSA-N 2 0 330.516 3.253 10 0 EGAERP C[C@@H]([NH2+]C[C@@]1(CO)CCc2ccccc21)c1cccc(C[NH+](C)C)c1 ZINC000926643435 1327649192 /nfs/dbraw/zinc/64/91/92/1327649192.db2.gz ADPVHZMYKDTKKA-VGOFRKELSA-N 2 0 338.495 3.275 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCC2(CCOCC2)CO1)c1cccc(C[NH+](C)C)c1 ZINC000926845828 1327738169 /nfs/dbraw/zinc/73/81/69/1327738169.db2.gz SHMDKIHXBMZHPI-YLJYHZDGSA-N 2 0 346.515 3.375 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC[C@]2(CO[C@H](C)[C@@H]2C)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876197 1327750853 /nfs/dbraw/zinc/75/08/53/1327750853.db2.gz IFTLYHRPBZGWCF-CFPPRVJZSA-N 2 0 346.515 3.371 10 0 EGAERP C[NH2+]C[C@H](O)c1cccc(-c2cc(C[NH+]3CCCC3)ccc2F)c1 ZINC000863691545 1329575558 /nfs/dbraw/zinc/57/55/58/1329575558.db2.gz GIJRIPYDLBUKKA-FQEVSTJZSA-N 2 0 328.431 3.341 10 0 EGAERP CC[NH+](CC)Cc1cccc(C[NH2+]Cc2cnc3c(cnn3C)c2)c1 ZINC000865417304 1329694532 /nfs/dbraw/zinc/69/45/32/1329694532.db2.gz GKCGEAAWVNCDAX-UHFFFAOYSA-N 2 0 337.471 3.100 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2cnn(Cc3ccc(F)cc3)c2)CC1 ZINC000865764778 1329736223 /nfs/dbraw/zinc/73/62/23/1329736223.db2.gz BFXOEKYRKGBWFK-UHFFFAOYSA-N 2 0 344.478 3.423 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cc(F)ccc3CC[C@@H]2C)CC1 ZINC000866233630 1330081939 /nfs/dbraw/zinc/08/19/39/1330081939.db2.gz XLVIVTNJTZEFQQ-LAUBAEHRSA-N 2 0 347.522 3.456 10 0 EGAERP COc1ccccc1NC(=O)C[C@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866516395 1330120851 /nfs/dbraw/zinc/12/08/51/1330120851.db2.gz SOFFRGBOCMZPRZ-SHPPYHEDSA-N 2 0 347.503 3.265 10 0 EGAERP C[C@@H]1CN(Cc2ccccn2)CC[C@@H]1[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000866517000 1330120925 /nfs/dbraw/zinc/12/09/25/1330120925.db2.gz UOQNPYZISCFOBD-OMZYAQQMSA-N 2 0 344.547 3.145 10 0 EGAERP C[C@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(C(=O)N(C)C)cc1 ZINC000866518285 1330121240 /nfs/dbraw/zinc/12/12/40/1330121240.db2.gz WXYJNJBJMOBWOY-IJNIYJAUSA-N 2 0 331.504 3.302 10 0 EGAERP CC(=O)N1CC[C@H]([NH2+]C2CCC(C)([NH+](C)C)CC2)c2ccccc21 ZINC000866518009 1330121334 /nfs/dbraw/zinc/12/13/34/1330121334.db2.gz QTZSIPGFXOKZOI-IPCDKGFNSA-N 2 0 329.488 3.337 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCC12CCOCC2)c1cccc(OCC[NH+](C)C)c1 ZINC000866529763 1330122239 /nfs/dbraw/zinc/12/22/39/1330122239.db2.gz SDXXQSSUBONRMZ-IEBWSBKVSA-N 2 0 346.515 3.484 10 0 EGAERP CC[C@H](C(=O)Nc1ccc(C)cc1)N1CCC[C@@H]([C@@H]2CCC[NH2+]2)C1 ZINC000866661954 1330138754 /nfs/dbraw/zinc/13/87/54/1330138754.db2.gz XTQKNPXOXJNFIO-NZSAHSFTSA-N 2 0 329.488 3.176 10 0 EGAERP COc1ccc([C@@H](C[NH3+])CN2c3ccccc3[C@@H]([NH3+])C2(C)C)cc1 ZINC000866701651 1330142266 /nfs/dbraw/zinc/14/22/66/1330142266.db2.gz LUTSDOUODFAOCS-HNAYVOBHSA-N 2 0 325.456 3.036 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCC(C)(C)CC1)C1CC1 ZINC001323048748 1387275627 /nfs/dbraw/zinc/27/56/27/1387275627.db2.gz UYITYZFTVSFXHH-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001323641015 1387415686 /nfs/dbraw/zinc/41/56/86/1387415686.db2.gz GRAKKCKNPWKJIG-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@H]1CCC[NH+]1C ZINC001323683729 1387422263 /nfs/dbraw/zinc/42/22/63/1387422263.db2.gz FPJJHLNUXFJXGM-AQNXPRMDSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001323814127 1387465960 /nfs/dbraw/zinc/46/59/60/1387465960.db2.gz XHNRKDLXWABJEO-PZJWPPBQSA-N 2 0 349.563 3.366 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@]2(CCN(C(=O)C[NH+](C)C3CCC3)C2)C1 ZINC001323859479 1387479472 /nfs/dbraw/zinc/47/94/72/1387479472.db2.gz WYIHKHGQJFTTDX-YAQIIAKESA-N 2 0 347.547 3.142 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001323871839 1387484404 /nfs/dbraw/zinc/48/44/04/1387484404.db2.gz GCLZTXAQOJVFBE-SFMFPFJOSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323872242 1387484665 /nfs/dbraw/zinc/48/46/65/1387484665.db2.gz JOQZWDMJDXCDKI-NRFANRHFSA-N 2 0 349.563 3.367 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001324085601 1387535498 /nfs/dbraw/zinc/53/54/98/1387535498.db2.gz DHOTYUSZBRGOSV-IEBWSBKVSA-N 2 0 335.536 3.042 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001324091256 1387538126 /nfs/dbraw/zinc/53/81/26/1387538126.db2.gz UJEUVELSPISVAL-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001324186074 1387553564 /nfs/dbraw/zinc/55/35/64/1387553564.db2.gz GOLZFLAATIQQMN-SFHVURJKSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCC1 ZINC001324206320 1387557396 /nfs/dbraw/zinc/55/73/96/1387557396.db2.gz JFTYONQNQOLSLE-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001324317878 1387589961 /nfs/dbraw/zinc/58/99/61/1387589961.db2.gz CTVRINZKWKVHDY-XFHJGTJQSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCC1 ZINC001324480718 1387636985 /nfs/dbraw/zinc/63/69/85/1387636985.db2.gz DEXKADYXWLMAPR-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCC2CCCC2)C2CCCC2)CC[N@@H+]1C ZINC001324471575 1387635348 /nfs/dbraw/zinc/63/53/48/1387635348.db2.gz WUWGIUMOBNGNCX-NSISKUIASA-N 2 0 349.563 3.172 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@](C)(C[NH2+]CCC3CC3)C2)CCCCC1 ZINC001324762694 1387762920 /nfs/dbraw/zinc/76/29/20/1387762920.db2.gz KCKDINOMBLPTAR-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH+]2CCC1CC1 ZINC001325631237 1388016973 /nfs/dbraw/zinc/01/69/73/1388016973.db2.gz BKZIWJRYLJTFGN-YSTOQKLRSA-N 2 0 347.547 3.020 10 0 EGAERP CCCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001325917785 1388080444 /nfs/dbraw/zinc/08/04/44/1388080444.db2.gz NUIRYXJSCPOXGN-RBUKOAKNSA-N 2 0 335.536 3.118 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2ccc(-c3cnn(C)c3)cc2)CC1 ZINC001116871180 1370991420 /nfs/dbraw/zinc/99/14/20/1370991420.db2.gz KDYFDLAURZOLSG-UHFFFAOYSA-N 2 0 326.488 3.299 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001326512636 1388225169 /nfs/dbraw/zinc/22/51/69/1388225169.db2.gz JLNRJELRKGLSSW-NCXUSEDFSA-N 2 0 337.552 3.170 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H](C[NH2+]CCC2=CCCCC2)CC1 ZINC001326540761 1388233398 /nfs/dbraw/zinc/23/33/98/1388233398.db2.gz KUNWMEKNRRVFLJ-WGSAOQKQSA-N 2 0 335.536 3.093 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001326559053 1388239628 /nfs/dbraw/zinc/23/96/28/1388239628.db2.gz RUBIQCHUFHUFIJ-NCXUSEDFSA-N 2 0 335.536 3.068 10 0 EGAERP Cc1ccccc1C[NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1 ZINC001264121991 1377140042 /nfs/dbraw/zinc/14/00/42/1377140042.db2.gz DQNWDHPKTRJERL-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001264121948 1377140129 /nfs/dbraw/zinc/14/01/29/1377140129.db2.gz CSXIQKPECZFGKQ-QZTJIDSGSA-N 2 0 325.541 3.268 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001266119895 1377196125 /nfs/dbraw/zinc/19/61/25/1377196125.db2.gz OPHZPQXTDNHVCX-LJQANCHMSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001266216649 1377231889 /nfs/dbraw/zinc/23/18/89/1377231889.db2.gz TVAKXBXYSFPSBH-MOPGFXCFSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001266234679 1377240699 /nfs/dbraw/zinc/24/06/99/1377240699.db2.gz IZDPSULEPNMSGW-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001266234680 1377241001 /nfs/dbraw/zinc/24/10/01/1377241001.db2.gz IZDPSULEPNMSGW-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001266246865 1377245370 /nfs/dbraw/zinc/24/53/70/1377245370.db2.gz XVLPPFKQLAVSEB-IBGZPJMESA-N 2 0 337.552 3.124 10 0 EGAERP CCCN(C(=O)[C@@H]1CCCC[N@@H+]1C)C1CC[NH+](CC2CC(C)C2)CC1 ZINC001266388692 1377302500 /nfs/dbraw/zinc/30/25/00/1377302500.db2.gz NCTXHNZKWKUOLC-QLOJAFMTSA-N 2 0 349.563 3.220 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001136162805 1377359774 /nfs/dbraw/zinc/35/97/74/1377359774.db2.gz HOFLAJYJIWBHHS-UHFFFAOYSA-N 2 0 349.519 3.315 10 0 EGAERP C[C@H](C[N@@H+]1CCC[C@@H](C)C1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136394981 1377387184 /nfs/dbraw/zinc/38/71/84/1377387184.db2.gz XKNZDHMYRBXBHU-HZPDHXFCSA-N 2 0 342.487 3.141 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001267179856 1377425359 /nfs/dbraw/zinc/42/53/59/1377425359.db2.gz SPKQIUJCJUAKCL-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@H]2CCC[N@H+](C)[C@H]2c2cccs2)CCCC1 ZINC001136929860 1377441744 /nfs/dbraw/zinc/44/17/44/1377441744.db2.gz RHJNLHPROUFQIF-NVXWUHKLSA-N 2 0 349.544 3.122 10 0 EGAERP CN(CC[NH2+]CC1CCCCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001267456409 1377445722 /nfs/dbraw/zinc/44/57/22/1377445722.db2.gz WLNUHLFJZFLCKT-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001267912410 1377476866 /nfs/dbraw/zinc/47/68/66/1377476866.db2.gz JWHRIJIWMTUXIC-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]CC1CCCCC1 ZINC001268212656 1377495916 /nfs/dbraw/zinc/49/59/16/1377495916.db2.gz MKGNVWZABZPSKI-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCCC[NH2+]C1(CC)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001327474538 1388529627 /nfs/dbraw/zinc/52/96/27/1388529627.db2.gz MFWMXDQQNNWFDC-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCCc1ccc(C[N@H+](C)[C@H](C)CNC(=O)[C@@H]2CCCC[NH+]2C)cc1 ZINC001275866743 1378160235 /nfs/dbraw/zinc/16/02/35/1378160235.db2.gz XTGKZWKBKADGQG-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCCCC[NH+]1CC1CC(C)(C)C1)C1CCC1 ZINC001276313130 1378170976 /nfs/dbraw/zinc/17/09/76/1378170976.db2.gz YIUVGSIPVFVWCJ-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1C[C@@]2(C)CN(C(=O)CCCC[NH+]3CCCC3)C[C@@]2(C)C1 ZINC001276913005 1378193026 /nfs/dbraw/zinc/19/30/26/1378193026.db2.gz RVTORLBDQJNJQC-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001280364745 1378343960 /nfs/dbraw/zinc/34/39/60/1378343960.db2.gz BSCFLYIZAXGUMC-CADBVGFASA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]1C[N@H+](C)CC1CCC(C)(C)CC1 ZINC001281958270 1378465422 /nfs/dbraw/zinc/46/54/22/1378465422.db2.gz ZVRSMBADVQPVEK-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C1CCC(N(C)C(=O)CC[NH+](C)C)CC1 ZINC001282269344 1378493599 /nfs/dbraw/zinc/49/35/99/1378493599.db2.gz DWUYWADRTGZHTO-VIQWUECVSA-N 2 0 345.531 3.367 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001327541236 1388555669 /nfs/dbraw/zinc/55/56/69/1388555669.db2.gz MNKMXVRLJBWAGI-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001282967102 1378690546 /nfs/dbraw/zinc/69/05/46/1378690546.db2.gz JGRKVDDLIVLZFF-VOFKWLDRSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C[N@H+](C)C3CCC3)C2)C1 ZINC001283051558 1378717426 /nfs/dbraw/zinc/71/74/26/1378717426.db2.gz PIOLWYDDXXESKM-VJANTYMQSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001283051801 1378718108 /nfs/dbraw/zinc/71/81/08/1378718108.db2.gz DTQJESOYAIBBFW-NCXUSEDFSA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@]2(NC(=O)CC[C@@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001284056691 1379408131 /nfs/dbraw/zinc/40/81/31/1379408131.db2.gz IHWKYFOGPRLACJ-NLWGTHIKSA-N 2 0 335.536 3.020 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@@H]12 ZINC001284057252 1379409293 /nfs/dbraw/zinc/40/92/93/1379409293.db2.gz KMBIDPAURNIAOP-NQIIRXRSSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CCC(C)(C)C ZINC001327862160 1388608081 /nfs/dbraw/zinc/60/80/81/1388608081.db2.gz QZSARXQGOABBTP-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1C ZINC001284133457 1379519134 /nfs/dbraw/zinc/51/91/34/1379519134.db2.gz XODMSTDCIPSHJA-MOPGFXCFSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+]C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)C(C)(C)C ZINC001284589642 1379991030 /nfs/dbraw/zinc/99/10/30/1379991030.db2.gz KFJVMIOCQXXVCK-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C2(NC(=O)C3(C[NH+](C)C)CC3)CC2)CC1 ZINC001284845792 1380268399 /nfs/dbraw/zinc/26/83/99/1380268399.db2.gz BTFSZJCGMUWAGC-WAYWQWQTSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1CCC1CCCCC1 ZINC001328268358 1388706605 /nfs/dbraw/zinc/70/66/05/1388706605.db2.gz SGOYHZDEUYGOCQ-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001328283441 1388714225 /nfs/dbraw/zinc/71/42/25/1388714225.db2.gz KZJVWZLQBOIDSF-WMZOPIPTSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@@H]1C[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1Cc1ccsc1 ZINC001328283435 1388714395 /nfs/dbraw/zinc/71/43/95/1388714395.db2.gz KZJVWZLQBOIDSF-AEFFLSMTSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1CCC(C)(C)C ZINC001328282843 1388714485 /nfs/dbraw/zinc/71/44/85/1388714485.db2.gz IVXQYJOXPBKSDO-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1Cc1cccc(F)c1 ZINC001328288342 1388717020 /nfs/dbraw/zinc/71/70/20/1388717020.db2.gz ZJUMFABUEHMENS-LPHOPBHVSA-N 2 0 349.494 3.027 10 0 EGAERP CC[N@H+](CC(C)C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001328579175 1388780834 /nfs/dbraw/zinc/78/08/34/1388780834.db2.gz UJTLVNTZQKQGOL-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH2+]CCCC(C)C)[NH+](C)C ZINC001328692840 1388810400 /nfs/dbraw/zinc/81/04/00/1388810400.db2.gz AMRPKCKCMAYNDT-HSALFYBXSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001698611098 1406240486 /nfs/dbraw/zinc/24/04/86/1406240486.db2.gz VLSGXUCHYHDORF-IEBWSBKVSA-N 2 0 335.536 3.068 10 0 EGAERP CCCN(CC[NH+](CC)CC)C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001296170136 1382912656 /nfs/dbraw/zinc/91/26/56/1382912656.db2.gz LAHAVPPZEDJDFV-UHFFFAOYSA-N 2 0 335.492 3.069 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001328733971 1388831594 /nfs/dbraw/zinc/83/15/94/1388831594.db2.gz TXFLLYNVYQRDDZ-PHWHVTFISA-N 2 0 347.547 3.142 10 0 EGAERP CC[N@H+](CCC1CC[NH+]([C@H](CC(C)C)C(=O)OC)CC1)CC1CC1 ZINC001168423381 1383902459 /nfs/dbraw/zinc/90/24/59/1383902459.db2.gz ITXQVFUGJNYRLF-LJQANCHMSA-N 2 0 338.536 3.408 10 0 EGAERP CCC1([NH+]2CCCC2)CCN(CC[N@H+](C)Cc2ccccc2)CC1 ZINC001307984169 1384068512 /nfs/dbraw/zinc/06/85/12/1384068512.db2.gz WRDFFTWPJAHTQY-UHFFFAOYSA-N 2 0 329.532 3.459 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001316617900 1384484133 /nfs/dbraw/zinc/48/41/33/1384484133.db2.gz IXGZAYKMPGGLSV-HDICACEKSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCC2CCCC2)C1 ZINC001316703472 1384530850 /nfs/dbraw/zinc/53/08/50/1384530850.db2.gz CYGVZTUKJWAPNZ-HBFSDRIKSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C ZINC001316704940 1384531445 /nfs/dbraw/zinc/53/14/45/1384531445.db2.gz VSUMOSHOISCCRA-QRQLOZEOSA-N 2 0 345.531 3.224 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)C(C)C)CC[N@@H+]1C/C=C/c1ccccc1 ZINC001316742450 1384556055 /nfs/dbraw/zinc/55/60/55/1384556055.db2.gz NCNZYKVQHHDXTI-WQEUXLNQSA-N 2 0 343.515 3.009 10 0 EGAERP CC(C)[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001316773118 1384571374 /nfs/dbraw/zinc/57/13/74/1384571374.db2.gz FWWXAGKIJMAYSE-GOSISDBHSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CC1CCCCC1 ZINC001316793202 1384585962 /nfs/dbraw/zinc/58/59/62/1384585962.db2.gz SDQFOVVBLRJSRM-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCC[C@H]2C[N@H+](C)CCC(C)(C)C)CC1 ZINC001316804473 1384594846 /nfs/dbraw/zinc/59/48/46/1384594846.db2.gz MSQYPVSWKRLDGN-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001316809805 1384604963 /nfs/dbraw/zinc/60/49/63/1384604963.db2.gz DVRCNNCOSZNAAY-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[N@H+](CC3CCCC3)CC(C)(C)C2)CC1 ZINC001316811301 1384608050 /nfs/dbraw/zinc/60/80/50/1384608050.db2.gz LSJBFMRUUCDUOL-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001316812474 1384610993 /nfs/dbraw/zinc/61/09/93/1384610993.db2.gz WTJQTOBYCXWTGA-ROUUACIJSA-N 2 0 337.552 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001316871422 1384656402 /nfs/dbraw/zinc/65/64/02/1384656402.db2.gz XKBLINHTIDVJCL-HNNXBMFYSA-N 2 0 339.911 3.179 10 0 EGAERP CCCCCC[NH+]1CCC(N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001316933396 1384704311 /nfs/dbraw/zinc/70/43/11/1384704311.db2.gz HRARIECGFUIEAT-GOSISDBHSA-N 2 0 337.552 3.364 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001316997145 1384753959 /nfs/dbraw/zinc/75/39/59/1384753959.db2.gz CKNBVPBXZXMSRZ-ZWKOTPCHSA-N 2 0 335.536 3.020 10 0 EGAERP CCCN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001317005893 1384767697 /nfs/dbraw/zinc/76/76/97/1384767697.db2.gz NYDWMMLSJVKVAU-KRWDZBQOSA-N 2 0 337.552 3.077 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C(C)C)CC1 ZINC001317006310 1384768557 /nfs/dbraw/zinc/76/85/57/1384768557.db2.gz RYUXZEDQXBCHLR-HKUYNNGSSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014364 1384778689 /nfs/dbraw/zinc/77/86/89/1384778689.db2.gz ULRODCNWTWYPTN-QZTJIDSGSA-N 2 0 337.552 3.170 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[NH+]1CCC ZINC001317047019 1384823480 /nfs/dbraw/zinc/82/34/80/1384823480.db2.gz FFDWKCQCCSDUCG-QOJNPXKOSA-N 2 0 347.547 3.282 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CCC[NH+]2CCCC2)C1 ZINC001317100630 1384863895 /nfs/dbraw/zinc/86/38/95/1384863895.db2.gz VGYRQZREBQEWBF-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)C1 ZINC001317111522 1384873503 /nfs/dbraw/zinc/87/35/03/1384873503.db2.gz GMGOIFFXJOIRJG-CEXWTWQISA-N 2 0 335.536 3.068 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@H]2CCC[NH+](CCC3=CCCCC3)C2)C1 ZINC001317142708 1384911557 /nfs/dbraw/zinc/91/15/57/1384911557.db2.gz GHKHKWGBEXPQBR-VQTJNVASSA-N 2 0 347.547 3.047 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001317199929 1384975576 /nfs/dbraw/zinc/97/55/76/1384975576.db2.gz OKWVPBDIGILRJT-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](F)CC[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001317222905 1385003247 /nfs/dbraw/zinc/00/32/47/1385003247.db2.gz JBGSAUAAHPNSQM-VNCLNFNDSA-N 2 0 349.494 3.127 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001317225855 1385005408 /nfs/dbraw/zinc/00/54/08/1385005408.db2.gz HJIQJDRESHAJAF-WAYWQWQTSA-N 2 0 349.563 3.482 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCCC1CCCC1 ZINC001317270668 1385041161 /nfs/dbraw/zinc/04/11/61/1385041161.db2.gz JQWVSKPUNNOVSY-QZTJIDSGSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CNC(=O)CC2CC[NH+](C)CC2)cc1 ZINC001317272129 1385042746 /nfs/dbraw/zinc/04/27/46/1385042746.db2.gz QOORQWGXNPSVJU-QGZVFWFLSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@H]2CCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317346483 1385096328 /nfs/dbraw/zinc/09/63/28/1385096328.db2.gz VMVVCZCMQKXMDR-OALUTQOASA-N 2 0 345.531 3.143 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317350668 1385100172 /nfs/dbraw/zinc/10/01/72/1385100172.db2.gz LRZQQAWXPUYLBI-DLBZAZTESA-N 2 0 349.544 3.407 10 0 EGAERP CCCCCC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317357550 1385102902 /nfs/dbraw/zinc/10/29/02/1385102902.db2.gz KNMNLYVRQSGDRA-RBUKOAKNSA-N 2 0 349.563 3.460 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CC2CCC(C)CC2)C1 ZINC001317380795 1385107612 /nfs/dbraw/zinc/10/76/12/1385107612.db2.gz HMYYZRFZPBGBQN-CTWPCTMYSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CCC[C@H]2CNC(=O)CCC[NH+](C)C)c1 ZINC001317506533 1385213748 /nfs/dbraw/zinc/21/37/48/1385213748.db2.gz BLLSBPBYMBJMDR-MOPGFXCFSA-N 2 0 345.531 3.287 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCC2=CCCCC2)CC1 ZINC001317678652 1385386204 /nfs/dbraw/zinc/38/62/04/1385386204.db2.gz GSEYIAPXQMMHPX-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]([NH2+]Cc1ccsc1)c1ccccc1)[NH+](C)C ZINC001317724444 1385424629 /nfs/dbraw/zinc/42/46/29/1385424629.db2.gz MHPCBECLYFAYLO-ROUUACIJSA-N 2 0 345.512 3.035 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]([NH2+]C/C=C/Cl)C1)c1ccccc1 ZINC001317913558 1385567774 /nfs/dbraw/zinc/56/77/74/1385567774.db2.gz UPPSNDLULGPQPW-QGWFOHBRSA-N 2 0 349.906 3.013 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698611720 1406241508 /nfs/dbraw/zinc/24/15/08/1406241508.db2.gz WDZPHGIESYCDKA-IHPCNDPISA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@@H]2CC[NH+](CCCC(C)C)C2)C1 ZINC001318425995 1385681628 /nfs/dbraw/zinc/68/16/28/1385681628.db2.gz RPDOAYKLJBFBIB-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001318483055 1385714047 /nfs/dbraw/zinc/71/40/47/1385714047.db2.gz OUOKEVUXFBVGPO-IBGZPJMESA-N 2 0 347.547 3.142 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001318485040 1385717397 /nfs/dbraw/zinc/71/73/97/1385717397.db2.gz NMVMEJPJRNFTCA-DLBZAZTESA-N 2 0 325.541 3.076 10 0 EGAERP OC1(C[NH+]2CCCCC2)CC[NH+](Cc2cc3ccccc3o2)CC1 ZINC001176879829 1385730069 /nfs/dbraw/zinc/73/00/69/1385730069.db2.gz PJXOYEMLMWXGFH-UHFFFAOYSA-N 2 0 328.456 3.246 10 0 EGAERP CC[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CC1CCCCCC1 ZINC001318539058 1385743044 /nfs/dbraw/zinc/74/30/44/1385743044.db2.gz BSAKCCLKRMBIOV-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)[NH2+]CCCC(C)C ZINC001318568623 1385761592 /nfs/dbraw/zinc/76/15/92/1385761592.db2.gz BEFQNIXBLUOQEM-VQIMIIECSA-N 2 0 343.531 3.120 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318636295 1385808293 /nfs/dbraw/zinc/80/82/93/1385808293.db2.gz OQSKJWSTRYICHV-PXPVJAHISA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001318664136 1385823896 /nfs/dbraw/zinc/82/38/96/1385823896.db2.gz JWWXVYPUEAWRFJ-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@@H](CC[NH2+]CC2CCCCC2)C1)C1CCC1 ZINC001318802593 1385857178 /nfs/dbraw/zinc/85/71/78/1385857178.db2.gz ADBBBORNGAITFG-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CC[C@H]([NH2+]CCCC(C)C)CC1 ZINC001318956112 1385895727 /nfs/dbraw/zinc/89/57/27/1385895727.db2.gz KUCLMBZBPGQARP-FHWLQOOXSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001319144431 1385977281 /nfs/dbraw/zinc/97/72/81/1385977281.db2.gz DWYDKBOGAXHXOK-HMECNJMJSA-N 2 0 347.547 3.142 10 0 EGAERP c1cc(C[NH2+]CCc2cccc3cccnc32)n(-c2cc[nH+]cc2)n1 ZINC001177678720 1386021387 /nfs/dbraw/zinc/02/13/87/1386021387.db2.gz GAUOFYGERAFWHC-UHFFFAOYSA-N 2 0 329.407 3.148 10 0 EGAERP C[C@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[NH+]2CCCCC2)CCCC1 ZINC001319351590 1386073287 /nfs/dbraw/zinc/07/32/87/1386073287.db2.gz KZYGHQWRMZWOFE-INIZCTEOSA-N 2 0 341.515 3.018 10 0 EGAERP CC(C)CCC[NH+]1CC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001319407244 1386107730 /nfs/dbraw/zinc/10/77/30/1386107730.db2.gz DECRACIHOIGURN-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001319589509 1386192775 /nfs/dbraw/zinc/19/27/75/1386192775.db2.gz KMJWWXRRZQBKLS-UZRURVBFSA-N 2 0 343.515 3.012 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001319594349 1386195954 /nfs/dbraw/zinc/19/59/54/1386195954.db2.gz UIMJINKCDHAROI-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001319620828 1386214482 /nfs/dbraw/zinc/21/44/82/1386214482.db2.gz PZPNWDNFFLGCCG-MOPGFXCFSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001319649116 1386231832 /nfs/dbraw/zinc/23/18/32/1386231832.db2.gz VWIDHTFCMIZKII-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2CC[NH2+]CCC2CCCC2)CC1 ZINC001319775541 1386291768 /nfs/dbraw/zinc/29/17/68/1386291768.db2.gz WOTSWPTUNOCWBO-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CN(CC[N@H+](C)CCCC1CCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320069224 1386489383 /nfs/dbraw/zinc/48/93/83/1386489383.db2.gz TUPYZTDFPVRXPB-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CCc1ccccc1C[N@H+](C)CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@@H]1C ZINC001320084244 1386500288 /nfs/dbraw/zinc/50/02/88/1386500288.db2.gz FWZMSOSRDIJJSB-HDICACEKSA-N 2 0 345.531 3.012 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001320135008 1386531215 /nfs/dbraw/zinc/53/12/15/1386531215.db2.gz SZNBDQQBZOHXPV-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC1=CCCCC1 ZINC001320416863 1386604127 /nfs/dbraw/zinc/60/41/27/1386604127.db2.gz XKFBODCHXDWLQH-HKUYNNGSSA-N 2 0 335.536 3.234 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)CC[NH2+]CC2CCCCC2)C1 ZINC001320529272 1386638792 /nfs/dbraw/zinc/63/87/92/1386638792.db2.gz MBYXQZJAVYGWDZ-IEBWSBKVSA-N 2 0 337.552 3.173 10 0 EGAERP C[C@@H]1CCCC[C@]1(C[NH2+]CCC(C)(C)C)NC(=O)C[NH+]1CCCC1 ZINC001698665504 1406316409 /nfs/dbraw/zinc/31/64/09/1406316409.db2.gz ZJGPYAIYFRXFTC-YLJYHZDGSA-N 2 0 337.552 3.173 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321628532 1386944805 /nfs/dbraw/zinc/94/48/05/1386944805.db2.gz YDTIKQSBNGCDMT-NIAAJLDISA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H](C[NH2+]Cc1ccc(C(C)(C)C)cc1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001321895461 1387005144 /nfs/dbraw/zinc/00/51/44/1387005144.db2.gz HDDZQCSGZGMSBB-LPHOPBHVSA-N 2 0 345.531 3.063 10 0 EGAERP CC[C@H](C)C[NH2+]CC[C@@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001698693497 1406337711 /nfs/dbraw/zinc/33/77/11/1406337711.db2.gz AKJTVXYZTOKCFZ-ROUUACIJSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)CC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001698693350 1406337848 /nfs/dbraw/zinc/33/78/48/1406337848.db2.gz CBVHONOQZIXVQJ-UXHICEINSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C)C[NH+](C)CCC1=CCCCC1 ZINC001322308258 1387153022 /nfs/dbraw/zinc/15/30/22/1387153022.db2.gz VQUHMWGIDIKENR-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]CCCN(C)C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)c1 ZINC001322662811 1387221123 /nfs/dbraw/zinc/22/11/23/1387221123.db2.gz VCQSLLRITJGOBT-BJLQDIEVSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CC1CCCCC1 ZINC001329202966 1389020461 /nfs/dbraw/zinc/02/04/61/1389020461.db2.gz PIPLKXAEZQSVAM-DLBZAZTESA-N 2 0 345.531 3.425 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001698709661 1406351406 /nfs/dbraw/zinc/35/14/06/1406351406.db2.gz LFDGJGIVMRZKIM-BCEYDMKGSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@@H]2CCCC[C@H]2[NH3+])C1 ZINC001329564254 1389158866 /nfs/dbraw/zinc/15/88/66/1389158866.db2.gz KVCBYFVFQGIRMP-NSISKUIASA-N 2 0 343.515 3.052 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001329860997 1389238265 /nfs/dbraw/zinc/23/82/65/1389238265.db2.gz MBDZFACHAGCUJD-UHFFFAOYSA-N 2 0 349.494 3.076 10 0 EGAERP CC(C)=CC[N@H+]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C(C)(C)C1 ZINC001330224279 1389348414 /nfs/dbraw/zinc/34/84/14/1389348414.db2.gz VDOPSHOKFLCBCT-SFHVURJKSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@@H](C)c2cccc(F)c2)CC1(C)C ZINC001330245165 1389364681 /nfs/dbraw/zinc/36/46/81/1389364681.db2.gz RSZYRCNGHIMYPA-MAUKXSAKSA-N 2 0 349.494 3.055 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[NH+](CC3CCCC3)C[C@H]2C1 ZINC001330468095 1389422860 /nfs/dbraw/zinc/42/28/60/1389422860.db2.gz OOXQMMZSHQULNQ-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3CCC)C2)C1 ZINC001330499756 1389432468 /nfs/dbraw/zinc/43/24/68/1389432468.db2.gz OIOSDKLWNPUJSS-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC2(C1)CCN(C(=O)CC[NH+](C)C)CC2 ZINC001698735890 1406385645 /nfs/dbraw/zinc/38/56/45/1406385645.db2.gz QPISHBFTHJHNSF-SFHVURJKSA-N 2 0 343.515 3.014 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1c(C)cccc1C ZINC001331644642 1389843345 /nfs/dbraw/zinc/84/33/45/1389843345.db2.gz PYTJYIITYUROLQ-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)[C@@H]2C)CC1 ZINC001331927684 1389914565 /nfs/dbraw/zinc/91/45/65/1389914565.db2.gz DKOAKWOQSYJSIE-FXAWDEMLSA-N 2 0 349.563 3.266 10 0 EGAERP CC[NH+](CC)C1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2c2ccccc2)CC1 ZINC001332045059 1389955490 /nfs/dbraw/zinc/95/54/90/1389955490.db2.gz PUKYGLUFEGWZDZ-WOJBJXKFSA-N 2 0 343.515 3.012 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@H]1[NH+](CC1CCCCC1)CC2)C1CCC1 ZINC001332100968 1389983287 /nfs/dbraw/zinc/98/32/87/1389983287.db2.gz QOUGFTAWGFNMKR-CTNGQTDRSA-N 2 0 347.547 3.164 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CCC2=CCCCC2)C(C)(C)C1 ZINC001332413310 1390110556 /nfs/dbraw/zinc/11/05/56/1390110556.db2.gz NNXYGEIINCQVLY-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCCCC2)C(C)(C)C1 ZINC001332440054 1390118956 /nfs/dbraw/zinc/11/89/56/1390118956.db2.gz YUWBHWXHEKDPDP-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]Cc1ccccc1C1CC1)C(C)(C)C ZINC001332859269 1390202953 /nfs/dbraw/zinc/20/29/53/1390202953.db2.gz WOTOEXNQUVZXCS-LJQANCHMSA-N 2 0 345.531 3.136 10 0 EGAERP C[C@H](NC(=O)CC[NH+](C)C)C1CC[NH+]([C@@H](C)c2cccc(F)c2)CC1 ZINC001332999268 1390233788 /nfs/dbraw/zinc/23/37/88/1390233788.db2.gz SQBBQYDVCDCITQ-HOTGVXAUSA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C)C1CC[NH+](CC2CC3(CCC3)C2)CC1)[NH+](C)C ZINC001333003602 1390234321 /nfs/dbraw/zinc/23/43/21/1390234321.db2.gz BLIKFUQLLXSHRK-LPHOPBHVSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cnn(CCF)c2)CC1)CC1CC1 ZINC001333156939 1390257837 /nfs/dbraw/zinc/25/78/37/1390257837.db2.gz DAJGZUMLOMABOR-UHFFFAOYSA-N 2 0 336.499 3.187 10 0 EGAERP C[C@@H](CNC(=O)c1cccc(C[NH+](C)C)c1)C[NH2+]CC1CC(C)(C)C1 ZINC001698778094 1406443708 /nfs/dbraw/zinc/44/37/08/1406443708.db2.gz ONIDKXCXRCXTHI-MRXNPFEDSA-N 2 0 345.531 3.140 10 0 EGAERP c1ccc(C[NH+]2CCC(C[NH2+]Cc3nnc(C4CC4)s3)CC2)cc1 ZINC001335445746 1390685003 /nfs/dbraw/zinc/68/50/03/1390685003.db2.gz VMRYUXSNYXCOGJ-UHFFFAOYSA-N 2 0 342.512 3.417 10 0 EGAERP CC1CCC(C[NH2+]C2(CNC(=O)C3([NH+](C)C)CCC3)CCCC2)CC1 ZINC001698798014 1406469255 /nfs/dbraw/zinc/46/92/55/1406469255.db2.gz XQKMUDNXQBIBEU-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H]([NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)[C@H](O)c1c(F)cccc1F ZINC001351506685 1391646965 /nfs/dbraw/zinc/64/69/65/1391646965.db2.gz DCDVHAQPLXSYTH-NUTKFTJISA-N 2 0 326.431 3.239 10 0 EGAERP C[C@H](C[NH2+]Cc1ccsc1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827256 1406520177 /nfs/dbraw/zinc/52/01/77/1406520177.db2.gz CEJZHLJOZKZOKO-CRAIPNDOSA-N 2 0 349.544 3.092 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001698827511 1406520313 /nfs/dbraw/zinc/52/03/13/1406520313.db2.gz BVWUMCMPLSDQJC-RTBURBONSA-N 2 0 345.531 3.114 10 0 EGAERP CN(C[C@H]1CC[NH+]1CC1CCC2(CC2)CC1)C(=O)CCCC[NH+](C)C ZINC001479261674 1392201089 /nfs/dbraw/zinc/20/10/89/1392201089.db2.gz YUKWGMMHKNJZFR-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1C[C@H]([NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001479401058 1392234752 /nfs/dbraw/zinc/23/47/52/1392234752.db2.gz XBWUSZUVRVPGBP-WGSAOQKQSA-N 2 0 349.563 3.339 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CC[NH+]3CCCCC3)C(C)(C)[C@H]21 ZINC001479614805 1392288500 /nfs/dbraw/zinc/28/85/00/1392288500.db2.gz SSSMBPIVDLYKHR-RLLQIKCJSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001479691492 1392322844 /nfs/dbraw/zinc/32/28/44/1392322844.db2.gz KSNFYIBKJSZFFD-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[NH+](C)Cc1cc2ccccc2s1 ZINC001479817113 1392409118 /nfs/dbraw/zinc/40/91/18/1392409118.db2.gz ZUQDBWYPSAZIBS-UHFFFAOYSA-N 2 0 347.528 3.180 10 0 EGAERP C[N@H+](CCCNC(=O)CC[NH+]1CCCCC1)CC1CCCCCC1 ZINC001479817057 1392409150 /nfs/dbraw/zinc/40/91/50/1392409150.db2.gz ZFHQUISFIJUDES-UHFFFAOYSA-N 2 0 337.552 3.271 10 0 EGAERP C[C@@H](c1ccccc1F)[N@H+](C)CCCNC(=O)CC[NH+]1CCCCC1 ZINC001479816986 1392409416 /nfs/dbraw/zinc/40/94/16/1392409416.db2.gz YAMFPDXOQJDEKZ-KRWDZBQOSA-N 2 0 349.494 3.201 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479834945 1392420678 /nfs/dbraw/zinc/42/06/78/1392420678.db2.gz SWSQEQHTCHBSSJ-XLIONFOSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@H]1CCC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001479910093 1392477598 /nfs/dbraw/zinc/47/75/98/1392477598.db2.gz GHMHVPFAFGJNTQ-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@@H]2NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001479984070 1392517047 /nfs/dbraw/zinc/51/70/47/1392517047.db2.gz NWWYPVNQKRVWLZ-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001479985664 1392518313 /nfs/dbraw/zinc/51/83/13/1392518313.db2.gz TXBZLPFJTVLEOP-DSQZMVHQSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC12CC[NH+](CC1CCCCC1)CC2 ZINC001479986872 1392519442 /nfs/dbraw/zinc/51/94/42/1392519442.db2.gz SKXXWSQOBOXWPR-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001480181843 1392614103 /nfs/dbraw/zinc/61/41/03/1392614103.db2.gz DKSXIXRIXIGSQN-FBVQUNGASA-N 2 0 337.552 3.265 10 0 EGAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCC1)[NH+](C)C ZINC001480182784 1392614282 /nfs/dbraw/zinc/61/42/82/1392614282.db2.gz YOTPGUVBPNZRQK-IPQPSQTFSA-N 2 0 335.536 3.019 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001480219699 1392625583 /nfs/dbraw/zinc/62/55/83/1392625583.db2.gz IONYKLUIODNOED-NSHGMRRFSA-N 2 0 349.563 3.457 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480296708 1392664473 /nfs/dbraw/zinc/66/44/73/1392664473.db2.gz DAXVJFODMJHQKV-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@H+]2C(C)C)C1 ZINC001480296710 1392664523 /nfs/dbraw/zinc/66/45/23/1392664523.db2.gz DAXVJFODMJHQKV-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001480367395 1392710128 /nfs/dbraw/zinc/71/01/28/1392710128.db2.gz LGNFHHWYVXCYAF-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP C[C@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+]CC1CCC2(CC2)CC1 ZINC001480593193 1392809842 /nfs/dbraw/zinc/80/98/42/1392809842.db2.gz RMGYMBPNKMJNCZ-GOSISDBHSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001480597757 1392813067 /nfs/dbraw/zinc/81/30/67/1392813067.db2.gz UKBDBTQYOQPLME-PKOBYXMFSA-N 2 0 349.563 3.172 10 0 EGAERP O=C(N1CC[C@@H](C[NH2+]CCC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001480654190 1392838642 /nfs/dbraw/zinc/83/86/42/1392838642.db2.gz QZCJPOHUNOGCFD-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP C[C@@H](C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001480667448 1392843823 /nfs/dbraw/zinc/84/38/23/1392843823.db2.gz HYGADAYRWQQRRL-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480705468 1392868454 /nfs/dbraw/zinc/86/84/54/1392868454.db2.gz QRSYONBURSPAQE-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001480710071 1392871824 /nfs/dbraw/zinc/87/18/24/1392871824.db2.gz UYFHNGUYSUOYOZ-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480710508 1392872685 /nfs/dbraw/zinc/87/26/85/1392872685.db2.gz RALNPMQMLZVJQS-RBUKOAKNSA-N 2 0 345.531 3.161 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@H]1CCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001480736799 1392901542 /nfs/dbraw/zinc/90/15/42/1392901542.db2.gz JCXDGULEGJYXQB-YJJPMGAVSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1cccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)c1 ZINC001480776433 1392926609 /nfs/dbraw/zinc/92/66/09/1392926609.db2.gz NKAIPYUFDCDCBE-ICSRJNTNSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001480832291 1392973199 /nfs/dbraw/zinc/97/31/99/1392973199.db2.gz VSDPQHIXWLTITO-LJQANCHMSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@H](CNC(=O)CCC[NH+]3CCCC3)C2)CC1 ZINC001481127504 1393127366 /nfs/dbraw/zinc/12/73/66/1393127366.db2.gz XAOKWMQRNWZPIE-SOAGJPPSSA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001481265284 1393155288 /nfs/dbraw/zinc/15/52/88/1393155288.db2.gz HADZKAVTZAAUPN-SFHVURJKSA-N 2 0 345.531 3.287 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001481341366 1393168139 /nfs/dbraw/zinc/16/81/39/1393168139.db2.gz GYUUYENRXBLCDD-QZTJIDSGSA-N 2 0 345.531 3.224 10 0 EGAERP Cc1ccc(C[N@@H+](CCCNC(=O)[C@@H]2CC[NH+](C)[C@@H]2C)C(C)C)cc1 ZINC001481349898 1393172240 /nfs/dbraw/zinc/17/22/40/1393172240.db2.gz AVGHKWGVZJUKML-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H]1CCCCN1C(=O)C[N@@H+](C)C(C)C ZINC001698922423 1406658201 /nfs/dbraw/zinc/65/82/01/1406658201.db2.gz DSUDYNWIQBIIFO-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP CCC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1)C1CC1 ZINC001490383485 1394210909 /nfs/dbraw/zinc/21/09/09/1394210909.db2.gz RVKFBPVQBBWGNE-IBGZPJMESA-N 2 0 335.536 3.164 10 0 EGAERP CCCN(C(=O)C[NH+]1CC[C@@H](C)C1)[C@H]1CC[N@H+](CC(CC)CC)C1 ZINC001481408933 1394265356 /nfs/dbraw/zinc/26/53/56/1394265356.db2.gz VIEZPANURKTJRJ-MJGOQNOKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)C1CC1 ZINC001490666069 1394290126 /nfs/dbraw/zinc/29/01/26/1394290126.db2.gz XZLFUNYTMJJNJY-UYAOXDASSA-N 2 0 347.547 3.092 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C1)[NH+](CC)CC ZINC001490842482 1394359763 /nfs/dbraw/zinc/35/97/63/1394359763.db2.gz RHCPLZJBIWZKHD-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC2CC[NH+](C)CC2)C1 ZINC001490980110 1394391063 /nfs/dbraw/zinc/39/10/63/1394391063.db2.gz BTUYZTAIVZNDPQ-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001491206585 1394471362 /nfs/dbraw/zinc/47/13/62/1394471362.db2.gz OYJQMBJCTDYPQA-RTBURBONSA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001481747833 1394492590 /nfs/dbraw/zinc/49/25/90/1394492590.db2.gz TYEJYAWEFFEVGX-VQTJNVASSA-N 2 0 345.531 3.183 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](Cc2ccc(C(C)C)cc2)C1)[NH+](C)C ZINC001481747823 1394492684 /nfs/dbraw/zinc/49/26/84/1394492684.db2.gz TYEJYAWEFFEVGX-PMACEKPBSA-N 2 0 345.531 3.183 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CC/C=C\c1ccccc1 ZINC001491260919 1394495697 /nfs/dbraw/zinc/49/56/97/1394495697.db2.gz CMASSAXPAHDZMS-LHZAFZKQSA-N 2 0 343.515 3.012 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001491269618 1394498320 /nfs/dbraw/zinc/49/83/20/1394498320.db2.gz IEOJYCSWQCJMSI-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001491360210 1394512201 /nfs/dbraw/zinc/51/22/01/1394512201.db2.gz YQRGZMKKNZMVOP-UHFFFAOYSA-N 2 0 337.552 3.458 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CC1)[C@H]1CC[N@H+](CC2CCC(C)CC2)C1 ZINC001481773594 1394518050 /nfs/dbraw/zinc/51/80/50/1394518050.db2.gz YDIOQKVUWSCKOR-ACBHZAAOSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)CCC[N@H+](C)CCC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC001698956309 1406705023 /nfs/dbraw/zinc/70/50/23/1406705023.db2.gz RZOMMHLJJDNKSU-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001481899957 1394586167 /nfs/dbraw/zinc/58/61/67/1394586167.db2.gz KCVKEUAQBLMVDR-ZWKOTPCHSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001481909678 1394591874 /nfs/dbraw/zinc/59/18/74/1394591874.db2.gz LUVUNJIHLRFJEK-UHFFFAOYSA-N 2 0 345.531 3.427 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)CC1 ZINC001481941471 1394608413 /nfs/dbraw/zinc/60/84/13/1394608413.db2.gz TVRSSAWIJVJKGJ-NRFANRHFSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](CC[NH2+]CC=C(C)C)C1 ZINC001481976595 1394638402 /nfs/dbraw/zinc/63/84/02/1394638402.db2.gz HWVHMSVFDKYFJY-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481977773 1394639575 /nfs/dbraw/zinc/63/95/75/1394639575.db2.gz BNRZMNNTHDFUTC-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCC[C@@H](CC[NH2+]CC2CC(C)(C)C2)C1 ZINC001481981580 1394642632 /nfs/dbraw/zinc/64/26/32/1394642632.db2.gz SWRQXRSLSKRQPD-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001481999417 1394658244 /nfs/dbraw/zinc/65/82/44/1394658244.db2.gz SWHIMIAGCVDHGK-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001482027397 1394685655 /nfs/dbraw/zinc/68/56/55/1394685655.db2.gz BRIRYSZYXQTWCC-FHWLQOOXSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001482109191 1394751325 /nfs/dbraw/zinc/75/13/25/1394751325.db2.gz ASSLWYGMIWLWRR-IEBWSBKVSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001482238216 1394834334 /nfs/dbraw/zinc/83/43/34/1394834334.db2.gz KBZTYZYZLKHYST-SFHVURJKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001698965696 1406724063 /nfs/dbraw/zinc/72/40/63/1406724063.db2.gz JKCQDHSPEWXJQE-WOJBJXKFSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1cccc(F)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482319258 1394889394 /nfs/dbraw/zinc/88/93/94/1394889394.db2.gz ZQTBJSFFHNDRQT-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCCC1 ZINC001482405715 1394968570 /nfs/dbraw/zinc/96/85/70/1394968570.db2.gz HNRCITHESWVLSN-OALUTQOASA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001482405873 1394968586 /nfs/dbraw/zinc/96/85/86/1394968586.db2.gz JZZWPZRHLDXHKR-HKUYNNGSSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH2+]C[C@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCCC1 ZINC001482406529 1394969690 /nfs/dbraw/zinc/96/96/90/1394969690.db2.gz QZBNUDPQJDTTII-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CCCCC1 ZINC001482409567 1394974621 /nfs/dbraw/zinc/97/46/21/1394974621.db2.gz ODYWZULPMJMEPW-KRWDZBQOSA-N 2 0 325.541 3.029 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001482436634 1394997444 /nfs/dbraw/zinc/99/74/44/1394997444.db2.gz KXTKGWDYSBSQOE-UYAOXDASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@H+](CCC)C1 ZINC001482457718 1395016069 /nfs/dbraw/zinc/01/60/69/1395016069.db2.gz ZIVAACVITPCKDK-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)C34CCC[NH+]3CCC4)C2)CC1 ZINC001483835498 1395103019 /nfs/dbraw/zinc/10/30/19/1395103019.db2.gz QEHCPBBIXWYEJB-UHFFFAOYSA-N 2 0 347.547 3.120 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001483848825 1395115530 /nfs/dbraw/zinc/11/55/30/1395115530.db2.gz VYBQRRFSHCMBPX-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+](CC)CC ZINC001483945498 1395156258 /nfs/dbraw/zinc/15/62/58/1395156258.db2.gz ZGHWVWUIPYEQNY-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH+]1CCC(C)(NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001483974221 1395170690 /nfs/dbraw/zinc/17/06/90/1395170690.db2.gz VYNLGERFQAEWBN-VOTSOKGWSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCC1 ZINC001484007300 1395181525 /nfs/dbraw/zinc/18/15/25/1395181525.db2.gz BGCYYNCNLXHOFG-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001484138909 1395275339 /nfs/dbraw/zinc/27/53/39/1395275339.db2.gz RHARJNWJAIWPHO-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC2(C)CC[NH+](CC3CCCCC3)CC2)C1 ZINC001484145337 1395280996 /nfs/dbraw/zinc/28/09/96/1395280996.db2.gz SZVZRPVOOIISQQ-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@H](C)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC1CC[NH+](C)CC1)C2 ZINC001484391404 1395361176 /nfs/dbraw/zinc/36/11/76/1395361176.db2.gz PZXTVMISRNHKOW-FFGOWVMKSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@H]1CC[NH+](C)C1 ZINC001484558092 1395440557 /nfs/dbraw/zinc/44/05/57/1395440557.db2.gz ZHJPDFXEPWNXGG-GOSISDBHSA-N 2 0 343.515 3.043 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CC2CCCCCC2)CC1)[NH+](C)C ZINC001484723965 1395487414 /nfs/dbraw/zinc/48/74/14/1395487414.db2.gz LTURTAGWUDIRLA-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1CCC[N@H+](CC2=CCCCC2)CC1 ZINC001484728633 1395491373 /nfs/dbraw/zinc/49/13/73/1395491373.db2.gz SSHAOVLBVYOHHS-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485179721 1395688538 /nfs/dbraw/zinc/68/85/38/1395688538.db2.gz JANXRDBUDCWCBV-ZWKOTPCHSA-N 2 0 345.531 3.161 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](C)[NH+](C)CC2=CCCCC2)C1 ZINC001485342015 1395813842 /nfs/dbraw/zinc/81/38/42/1395813842.db2.gz NJUZLXDGEOZUTA-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+]1CCCCC1)[N@H+](C)CCC1=CCCCC1 ZINC001485387861 1395876337 /nfs/dbraw/zinc/87/63/37/1395876337.db2.gz JGDBTLAABKXDHF-SFHVURJKSA-N 2 0 335.536 3.189 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]CCC2CCCC2)CCCCC1)[NH+](C)C ZINC001485455643 1395925721 /nfs/dbraw/zinc/92/57/21/1395925721.db2.gz QLUUUVWYVBSCSV-SFHVURJKSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723112 1396117999 /nfs/dbraw/zinc/11/79/99/1396117999.db2.gz XODANTSKXFOWOU-HKUYNNGSSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[NH2+]CCC[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1ccccc1 ZINC001485779346 1396149110 /nfs/dbraw/zinc/14/91/10/1396149110.db2.gz ATBWWGFOMSZZIH-YSIASYRMSA-N 2 0 345.531 3.354 10 0 EGAERP CCC(CC)C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485930471 1396170298 /nfs/dbraw/zinc/17/02/98/1396170298.db2.gz SBRIXOVFJPBYDW-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485944986 1396171911 /nfs/dbraw/zinc/17/19/11/1396171911.db2.gz SDQXYNVJYWNSLM-MSOLQXFVSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001485960662 1396174036 /nfs/dbraw/zinc/17/40/36/1396174036.db2.gz JVBNCDZJNJTICT-IEBWSBKVSA-N 2 0 349.563 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N2C[C@H]([NH2+]CCC3CCCCC3)C(C)(C)C2)CC1 ZINC001486241423 1396187870 /nfs/dbraw/zinc/18/78/70/1396187870.db2.gz WIIGFWWTWAVQEX-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001491960264 1396300994 /nfs/dbraw/zinc/30/09/94/1396300994.db2.gz SKEYYGVGSQKPMV-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CCC2CCCC2)C1 ZINC001491959893 1396301058 /nfs/dbraw/zinc/30/10/58/1396301058.db2.gz QMIYGZPCCSPIOG-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H](C(=O)NCC[C@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCCCC1 ZINC001492091519 1396303804 /nfs/dbraw/zinc/30/38/04/1396303804.db2.gz DBUXROZXUYRWCO-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1 ZINC001492092603 1396303829 /nfs/dbraw/zinc/30/38/29/1396303829.db2.gz XDWLCHVDEVCXKK-HKUYNNGSSA-N 2 0 335.536 3.234 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CC2=CCCCC2)C1 ZINC001492176206 1396312656 /nfs/dbraw/zinc/31/26/56/1396312656.db2.gz TXSFHOWHNRTRAN-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H](C(C)C)[NH+](C)C)[C@@H]1CCc2ccccc21 ZINC001493297333 1396339205 /nfs/dbraw/zinc/33/92/05/1396339205.db2.gz RTVDRRPVFISXAX-UXHICEINSA-N 2 0 345.531 3.088 10 0 EGAERP CCC(CC)C[NH2+]CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001493671288 1396341245 /nfs/dbraw/zinc/34/12/45/1396341245.db2.gz XUEYOFRXUWDPNR-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001495947088 1396573898 /nfs/dbraw/zinc/57/38/98/1396573898.db2.gz DCTUDSYZLLGVLW-QZTJIDSGSA-N 2 0 335.536 3.212 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCC2([NH2+]CC3CCCC3)CCCC2)C1 ZINC001495953490 1396576977 /nfs/dbraw/zinc/57/69/77/1396576977.db2.gz CUCHLHSXTSZZOQ-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001496805203 1396730906 /nfs/dbraw/zinc/73/09/06/1396730906.db2.gz SENGWORIGGMGMO-UHFFFAOYSA-N 2 0 345.531 3.188 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCC1 ZINC001497691191 1396785782 /nfs/dbraw/zinc/78/57/82/1396785782.db2.gz KLGKDMSTRNLSGS-FQQSSWHASA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)C[NH+](C)C1CCC1 ZINC001689147118 1396948584 /nfs/dbraw/zinc/94/85/84/1396948584.db2.gz RYHRQNYZWGTAME-YZGWKJHDSA-N 2 0 349.563 3.122 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@H]1CC ZINC001689190657 1396965957 /nfs/dbraw/zinc/96/59/57/1396965957.db2.gz IBYGAJPJFVOCHS-HMTUNPETSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001689270759 1397003595 /nfs/dbraw/zinc/00/35/95/1397003595.db2.gz VREOZIHOHFVKNJ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)C1CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001731999540 1428209657 /nfs/dbraw/zinc/20/96/57/1428209657.db2.gz FSUBQDHIVZKRQB-QZTJIDSGSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CC[C@H](NC(=O)CCCC[NH+](C)C)[C@H]2C)c1 ZINC001689329566 1397039392 /nfs/dbraw/zinc/03/93/92/1397039392.db2.gz HDDRCNHZUOYUAQ-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@H+](C)CCCNC(=O)CC[C@H]1CCC[NH+]1C ZINC001689807677 1404147997 /nfs/dbraw/zinc/14/79/97/1404147997.db2.gz DRMXECQAOBZGQH-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)CCC(C)(C)C ZINC001689859649 1404173772 /nfs/dbraw/zinc/17/37/72/1404173772.db2.gz WGCKRDNXYGCWOO-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H]2C[C@@H](NC(=O)CC[NH+](C)C)C2)cc1 ZINC001690355926 1404490183 /nfs/dbraw/zinc/49/01/83/1404490183.db2.gz PTUZWRSRFPJSQC-LZQZEXGQSA-N 2 0 331.504 3.060 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001690498793 1404611023 /nfs/dbraw/zinc/61/10/23/1404611023.db2.gz LYUWBNUHBDLESH-LSLCWXNRSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001690534096 1404624688 /nfs/dbraw/zinc/62/46/88/1404624688.db2.gz JCUALGJRCXWVEY-UHFFFAOYSA-N 2 0 337.552 3.458 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H]1CCCc2ccccc21 ZINC001690610392 1404651728 /nfs/dbraw/zinc/65/17/28/1404651728.db2.gz MCFOCGPQJCFJFX-VQIMIIECSA-N 2 0 343.515 3.033 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@H](C[NH2+]CCC3CCCCCC3)C2)C1 ZINC001690752099 1404709092 /nfs/dbraw/zinc/70/90/92/1404709092.db2.gz YHGKJPQHELNWLQ-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1)C1CCC1 ZINC001690772066 1404721858 /nfs/dbraw/zinc/72/18/58/1404721858.db2.gz NNGUJVVAEGFIPP-MSOLQXFVSA-N 2 0 335.536 3.068 10 0 EGAERP O=C(N[C@H]1CCC[C@H]([NH2+]CCCC2CCCC2)C1)C12CC[NH+](CC1)C2 ZINC001690785725 1404733163 /nfs/dbraw/zinc/73/31/63/1404733163.db2.gz XSNQAYJQZZMZTB-OALUTQOASA-N 2 0 347.547 3.070 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NCC[C@@H](C)[NH2+]Cc1cccc2ccccc21 ZINC001690880841 1404793964 /nfs/dbraw/zinc/79/39/64/1404793964.db2.gz BVRQHGLIWGYHRZ-QGZVFWFLSA-N 2 0 341.499 3.164 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001690897586 1404807268 /nfs/dbraw/zinc/80/72/68/1404807268.db2.gz YIHXEQCMUQWDJF-BHIYHBOVSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1C[NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001725410030 1426054593 /nfs/dbraw/zinc/05/45/93/1426054593.db2.gz WDWXKOYLOQEJEI-SFHVURJKSA-N 2 0 345.531 3.101 10 0 EGAERP Cc1c(C(=O)N(C)C[C@H]2CC[N@H+]2CCCC(C)C)ccc2c[nH+]cn21 ZINC001691048763 1404963345 /nfs/dbraw/zinc/96/33/45/1404963345.db2.gz ZEUHOOWKLIBUQD-GOSISDBHSA-N 2 0 342.487 3.225 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CCC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001691105840 1405045321 /nfs/dbraw/zinc/04/53/21/1405045321.db2.gz LHMYRZORECZVNQ-RTBURBONSA-N 2 0 345.531 3.287 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21)Cc1ccsc1 ZINC001691194031 1405132290 /nfs/dbraw/zinc/13/22/90/1405132290.db2.gz KAFCOZQOBJLPBE-MSOLQXFVSA-N 2 0 349.544 3.093 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC[NH+](CC1CC(C)(C)C1)C1CC1 ZINC001691228134 1405168026 /nfs/dbraw/zinc/16/80/26/1405168026.db2.gz OXXYUWQTRZMYDY-IBGZPJMESA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1CC[NH2+]CCC(C)(C)C ZINC001691302272 1405198059 /nfs/dbraw/zinc/19/80/59/1405198059.db2.gz VJPTVJNEFHFJEC-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001691309295 1405202242 /nfs/dbraw/zinc/20/22/42/1405202242.db2.gz OFVQQJXXAFWGLK-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCC[NH+]1CCCC1 ZINC001691428060 1405261943 /nfs/dbraw/zinc/26/19/43/1405261943.db2.gz IKOVIMLQTDGORY-YZGWKJHDSA-N 2 0 349.563 3.124 10 0 EGAERP CN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001691443500 1405272116 /nfs/dbraw/zinc/27/21/16/1405272116.db2.gz CNFMWNVKKOYSAN-FQEVSTJZSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001691481984 1405295527 /nfs/dbraw/zinc/29/55/27/1405295527.db2.gz XMAIXARSKIHTRP-TZRIAGMCSA-N 2 0 349.563 3.314 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001691585951 1405347481 /nfs/dbraw/zinc/34/74/81/1405347481.db2.gz LXHNPJRWHLVRTK-VLPTVUGRSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001691620335 1405361322 /nfs/dbraw/zinc/36/13/22/1405361322.db2.gz JKEINUYPFQUDJF-RTBURBONSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001691620332 1405361568 /nfs/dbraw/zinc/36/15/68/1405361568.db2.gz JKEINUYPFQUDJF-MOPGFXCFSA-N 2 0 335.536 3.186 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1CCCCCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001691632804 1405369621 /nfs/dbraw/zinc/36/96/21/1405369621.db2.gz QOGURMUONOGQJS-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001691692457 1405427069 /nfs/dbraw/zinc/42/70/69/1405427069.db2.gz PGHRHFRDMKYPOE-QZTJIDSGSA-N 2 0 339.568 3.226 10 0 EGAERP CC[C@H](C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)c1ccccc1)[NH+](C)C ZINC001691788911 1405498230 /nfs/dbraw/zinc/49/82/30/1405498230.db2.gz XUFSEHWDFLIWLA-RBUKOAKNSA-N 2 0 345.531 3.210 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC(C)(C)C1 ZINC001691819588 1405536488 /nfs/dbraw/zinc/53/64/88/1405536488.db2.gz WQAZOTLPWOHCEP-RURPWVQCSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CC2)CC(C)(C)C1)[NH+]1CCCC1 ZINC001691823769 1405540371 /nfs/dbraw/zinc/54/03/71/1405540371.db2.gz WMAYASJAFIRYRL-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CCCC2CCC2)C1 ZINC001691840958 1405552189 /nfs/dbraw/zinc/55/21/89/1405552189.db2.gz MKSDTHNMYKZPSJ-HBFSDRIKSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC[C@H]2CC[NH+](CCCC3CCCC3)C2)C1 ZINC001691922540 1405652679 /nfs/dbraw/zinc/65/26/79/1405652679.db2.gz POSIFMAIFPMVID-VQTJNVASSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691961358 1405679345 /nfs/dbraw/zinc/67/93/45/1405679345.db2.gz IREDPWTWUIVNPY-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001692003841 1405720488 /nfs/dbraw/zinc/72/04/88/1405720488.db2.gz CTFCDZSFBHLQHU-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001692102067 1405771659 /nfs/dbraw/zinc/77/16/59/1405771659.db2.gz ZBJUXJXSRFVQBT-UHDDOPSISA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001692101995 1405771751 /nfs/dbraw/zinc/77/17/51/1405771751.db2.gz WCVXPZWPBZNPMR-HOJAQTOUSA-N 2 0 347.547 3.045 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC[N@@H+]1CC(C)C ZINC001692196907 1405835946 /nfs/dbraw/zinc/83/59/46/1405835946.db2.gz PKEUEOVOJBWWQL-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CC[C@H](C)C1 ZINC001692257572 1405885149 /nfs/dbraw/zinc/88/51/49/1405885149.db2.gz JCCQVSCXXAWWHU-XOUUWWQPSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)[C@H]1C ZINC001692394367 1405996060 /nfs/dbraw/zinc/99/60/60/1405996060.db2.gz BLJIJRXIHNXDBN-QRVBRYPASA-N 2 0 337.552 3.410 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)CC1CC2(CCC2)C1 ZINC001732009064 1428222945 /nfs/dbraw/zinc/22/29/45/1428222945.db2.gz BJAQZLICUYWOOF-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCCC1)CC1CCC2(CC2)CC1 ZINC001732015087 1428230082 /nfs/dbraw/zinc/23/00/82/1428230082.db2.gz IQGFZZMUQUAWLY-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CN(C(=O)CCCC[NH+](C)C)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001698574581 1406181979 /nfs/dbraw/zinc/18/19/79/1406181979.db2.gz QGUZOSIRTFEIRR-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](CC2CCCCC2)C1 ZINC001698583876 1406198033 /nfs/dbraw/zinc/19/80/33/1406198033.db2.gz XPDNSWCKUQXBPW-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001732018500 1428235050 /nfs/dbraw/zinc/23/50/50/1428235050.db2.gz WNNGCGTUXVLAPL-YLJYHZDGSA-N 2 0 345.531 3.309 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001698598801 1406223944 /nfs/dbraw/zinc/22/39/44/1406223944.db2.gz ZVQXRSCMTNADSF-VQTJNVASSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)[NH2+]CC1CCC2(CC2)CC1 ZINC001698599712 1406224705 /nfs/dbraw/zinc/22/47/05/1406224705.db2.gz FNGAEDLTSXLNPK-GBESFXJTSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)c2ccccc2)C1 ZINC001732025250 1428243034 /nfs/dbraw/zinc/24/30/34/1428243034.db2.gz AEYKFPZEPVYSAB-RTBURBONSA-N 2 0 345.531 3.212 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001732051873 1428292444 /nfs/dbraw/zinc/29/24/44/1428292444.db2.gz AZNSLMWWRCTCET-GRMGMVGISA-N 2 0 349.563 3.291 10 0 EGAERP C[N@H+](CCCC1CCCC1)C[C@H]1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001732080941 1428335012 /nfs/dbraw/zinc/33/50/12/1428335012.db2.gz NDPLLYSUCIWNQO-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1c(C)cc(C)cc1C ZINC001732202180 1428453054 /nfs/dbraw/zinc/45/30/54/1428453054.db2.gz YGLKUUJENDBOIM-GOSISDBHSA-N 2 0 345.531 3.081 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]CCC(C)(C)C ZINC001732205154 1428454801 /nfs/dbraw/zinc/45/48/01/1428454801.db2.gz HTSBMQKQTYBROI-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C\CC[NH2+][C@H](CC)CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001732212156 1428460111 /nfs/dbraw/zinc/46/01/11/1428460111.db2.gz PRWUHGRXIFBBJQ-BUFKOALHSA-N 2 0 341.515 3.040 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222827 1428471633 /nfs/dbraw/zinc/47/16/33/1428471633.db2.gz KWZXFRJRAYBYRE-MOPGFXCFSA-N 2 0 349.494 3.073 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]CC2CCC3(CC3)CC2)CCCC1)[NH+](C)C ZINC001732234601 1428480903 /nfs/dbraw/zinc/48/09/03/1428480903.db2.gz MZBVVXJXTSSKKY-SFHVURJKSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCCN(C(=O)CC[C@@H]2CCC[N@H+]2C)C1 ZINC001732271336 1428507314 /nfs/dbraw/zinc/50/73/14/1428507314.db2.gz FXILTTBFECOZMA-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001732318261 1428528854 /nfs/dbraw/zinc/52/88/54/1428528854.db2.gz KMRCUVMQRFMCFP-FQEVSTJZSA-N 2 0 345.531 3.313 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)C[NH2+]Cc1ccc2ccccc2c1 ZINC001732373653 1428553647 /nfs/dbraw/zinc/55/36/47/1428553647.db2.gz RDPLOGKIGWXTSX-QGZVFWFLSA-N 2 0 341.499 3.022 10 0 EGAERP CC[C@@H](F)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001732393422 1428561862 /nfs/dbraw/zinc/56/18/62/1428561862.db2.gz PHXXGWJVVQOGBD-OAHLLOKOSA-N 2 0 346.450 3.023 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001732400275 1428566262 /nfs/dbraw/zinc/56/62/62/1428566262.db2.gz YMVNKQRKCYKQQW-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC2 ZINC001732405989 1428569150 /nfs/dbraw/zinc/56/91/50/1428569150.db2.gz XANDYCRHLSYDEX-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001732425327 1428575911 /nfs/dbraw/zinc/57/59/11/1428575911.db2.gz QNUAKJJGIYJVGD-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)CCC[NH2+]C[C@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732418948 1428573627 /nfs/dbraw/zinc/57/36/27/1428573627.db2.gz KDBIHSDBLPJJIL-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433540 1428578884 /nfs/dbraw/zinc/57/88/84/1428578884.db2.gz PTAUFHWQJPHFAA-HGZMWJMZSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC001732436263 1428580092 /nfs/dbraw/zinc/58/00/92/1428580092.db2.gz GYPJJHFJHCUXCA-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CCCCC1 ZINC001732477771 1428603818 /nfs/dbraw/zinc/60/38/18/1428603818.db2.gz OQXLSQQAXLHNIJ-RTLBZRNLSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C1 ZINC001732496130 1428618059 /nfs/dbraw/zinc/61/80/59/1428618059.db2.gz QIYSKTLAGBFZER-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H]2CCCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001732516223 1428635311 /nfs/dbraw/zinc/63/53/11/1428635311.db2.gz IPNCZDQDRKUAOX-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)C[NH2+]CC[C@@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001732516120 1428635445 /nfs/dbraw/zinc/63/54/45/1428635445.db2.gz DUWMFVGVBKTIBX-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001732533163 1428653796 /nfs/dbraw/zinc/65/37/96/1428653796.db2.gz RYVSBEVJLVJUAI-UNQUKWGNSA-N 2 0 349.563 3.435 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CC[C@H](C)NC(=O)CC[NH+]2CCCCC2)c1 ZINC001699159124 1412543674 /nfs/dbraw/zinc/54/36/74/1412543674.db2.gz LVXUBJOMBBCRBN-IBGZPJMESA-N 2 0 345.531 3.164 10 0 EGAERP CCN(CC[NH2+]CCCC(C)C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001699204610 1412572940 /nfs/dbraw/zinc/57/29/40/1412572940.db2.gz PKGNRWAYROLORF-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC/C=C\C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001699346904 1412655985 /nfs/dbraw/zinc/65/59/85/1412655985.db2.gz WJXBMZYQFHTGOR-FPLPWBNLSA-N 2 0 345.531 3.086 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)NC(=O)C[NH+]1CCCC1 ZINC001699431513 1412749661 /nfs/dbraw/zinc/74/96/61/1412749661.db2.gz LZDKYGWBIFAMNA-IRXDYDNUSA-N 2 0 345.531 3.235 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)Cc1ccc(C)c(C)c1 ZINC001699444398 1412776731 /nfs/dbraw/zinc/77/67/31/1412776731.db2.gz CYIYFHUJVFYYQP-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@H](C[N@H+](C)[C@@H](C)c1ccccc1F)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699452362 1412792777 /nfs/dbraw/zinc/79/27/77/1412792777.db2.gz GZOSXFLWZCHVEB-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)C[NH+](C)[C@@H](C)c1cccc(Cl)c1 ZINC001699474909 1412867123 /nfs/dbraw/zinc/86/71/23/1412867123.db2.gz YDZRCDCPEWKRRO-GJZGRUSLSA-N 2 0 339.911 3.178 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001699486275 1412882216 /nfs/dbraw/zinc/88/22/16/1412882216.db2.gz GUEZKXCGUXBSBN-OALUTQOASA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H](C)C[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001699678864 1413073582 /nfs/dbraw/zinc/07/35/82/1413073582.db2.gz OIOBCTVETLGSGL-CSNJMZFVSA-N 2 0 335.536 3.019 10 0 EGAERP CC(C)CCC[NH+]1CCC2(CCN(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001699697386 1413107528 /nfs/dbraw/zinc/10/75/28/1413107528.db2.gz NCRCNGIMUHKBSA-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CN(C(=O)C1(C[NH+](C)C)CCCCC1)C1C[NH+](CC2CCCCC2)C1 ZINC001699718584 1413131316 /nfs/dbraw/zinc/13/13/16/1413131316.db2.gz QFYDFODHZXOUCD-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CN(C(=O)C[N@H+](C)CC(C)(C)C)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001699722353 1413134983 /nfs/dbraw/zinc/13/49/83/1413134983.db2.gz WDAWILPSIWNKOG-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001699845632 1413274408 /nfs/dbraw/zinc/27/44/08/1413274408.db2.gz BNZQMQRYKCNXOI-BOXUBARPSA-N 2 0 349.563 3.293 10 0 EGAERP CCCC[NH2+]C[C@@]1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699848469 1413277794 /nfs/dbraw/zinc/27/77/94/1413277794.db2.gz PJFXYZWFSKXQQZ-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001700065503 1413482020 /nfs/dbraw/zinc/48/20/20/1413482020.db2.gz LTCMNBIEUAADMS-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)NCc1ccc([C@H](C)[NH2+]CCF)cc1)[NH+]1CCCC1 ZINC001700100528 1413517438 /nfs/dbraw/zinc/51/74/38/1413517438.db2.gz VRTGSFQWEUDONA-LPHOPBHVSA-N 2 0 349.494 3.043 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001700124963 1413541048 /nfs/dbraw/zinc/54/10/48/1413541048.db2.gz JSGDFNWEKXHOKD-WYNBNGFRSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CCCC3)CCC2)C1 ZINC001700142450 1413564277 /nfs/dbraw/zinc/56/42/77/1413564277.db2.gz WSOMRXLWVRUREH-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)=CC[N@@H+](C)CCCN(C)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001700189723 1413617152 /nfs/dbraw/zinc/61/71/52/1413617152.db2.gz CZDOBVRDTWVCPJ-UHFFFAOYSA-N 2 0 337.552 3.245 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCC[NH+]1CCCC1)C2 ZINC001700229361 1413686500 /nfs/dbraw/zinc/68/65/00/1413686500.db2.gz IYFHZCMKGUXDRC-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001700284466 1413731070 /nfs/dbraw/zinc/73/10/70/1413731070.db2.gz VNQPIRHDFXOBFU-OJBOGMDESA-N 2 0 347.547 3.330 10 0 EGAERP Cc1ccc(C)c(C[NH2+][C@@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001732561144 1428751035 /nfs/dbraw/zinc/75/10/35/1428751035.db2.gz SZQNZILADJRNTD-VQTJNVASSA-N 2 0 345.531 3.018 10 0 EGAERP CC1([NH2+]CCCC2CCC2)CCN(C(=O)CCC[NH+]2CCCC2)CC1 ZINC001700289180 1413738828 /nfs/dbraw/zinc/73/88/28/1413738828.db2.gz ARCQRRAFDWWIRG-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C(C)(C)C1 ZINC001700290556 1413741410 /nfs/dbraw/zinc/74/14/10/1413741410.db2.gz ALVKEISMXYEUIY-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)C(C)(C)C1 ZINC001700290960 1413742573 /nfs/dbraw/zinc/74/25/73/1413742573.db2.gz AKPHEURUXFAMIF-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H](C)C1 ZINC001700323662 1413792225 /nfs/dbraw/zinc/79/22/25/1413792225.db2.gz JXOLCAQVEZCGCB-IRXDYDNUSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@@H](C)c1cccc(Cl)c1 ZINC001732567097 1428760434 /nfs/dbraw/zinc/76/04/34/1428760434.db2.gz PPNHCDJEOHMXAX-YOEHRIQHSA-N 2 0 339.911 3.083 10 0 EGAERP C[C@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]CC1CCCC1 ZINC001700402609 1413937923 /nfs/dbraw/zinc/93/79/23/1413937923.db2.gz CANNCUACTFFFSW-HOTGVXAUSA-N 2 0 337.552 3.312 10 0 EGAERP C[C@@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001700421488 1413971773 /nfs/dbraw/zinc/97/17/73/1413971773.db2.gz JNJIVOYIKYMQCN-JKSUJKDBSA-N 2 0 349.563 3.027 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700437347 1414005562 /nfs/dbraw/zinc/00/55/62/1414005562.db2.gz FIKLHWLJIOEZRG-SOAGJPPSSA-N 2 0 349.563 3.432 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[C@H](C[NH2+]CC[C@H]2CCC[C@H](C)C2)C1 ZINC001700645239 1414310470 /nfs/dbraw/zinc/31/04/70/1414310470.db2.gz CMYMKVPNJKOCIW-RDGPPVDQSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001700781489 1414464713 /nfs/dbraw/zinc/46/47/13/1414464713.db2.gz XCGSYHBLFCLDKV-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](C)CCN(C)C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)c1 ZINC001732590061 1428810686 /nfs/dbraw/zinc/81/06/86/1428810686.db2.gz KOMSRFLAVPYXRI-NSHGMRRFSA-N 2 0 345.531 3.177 10 0 EGAERP CCc1ccccc1C[NH2+][C@H]1CCN(C(=O)CCCC[NH+](C)C)[C@@H]1C ZINC001700825976 1414481633 /nfs/dbraw/zinc/48/16/33/1414481633.db2.gz IEUDCYFUUKUOQP-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700852447 1414500399 /nfs/dbraw/zinc/50/03/99/1414500399.db2.gz ATOIBOMBWNVSIB-IEBWSBKVSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)C3CCC3)CCC[C@@H]12 ZINC001700867252 1414519562 /nfs/dbraw/zinc/51/95/62/1414519562.db2.gz QIRNGXGYWWEJJX-QUCCMNQESA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001700867598 1414519978 /nfs/dbraw/zinc/51/99/78/1414519978.db2.gz SIYYRRJXKFOSRS-GHTZIAJQSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@H+](C)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001700975636 1414609686 /nfs/dbraw/zinc/60/96/86/1414609686.db2.gz SKFAZCUYNDWQQU-UHFFFAOYSA-N 2 0 333.520 3.187 10 0 EGAERP CCCCCC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C(C)(C)C ZINC001700985296 1414627019 /nfs/dbraw/zinc/62/70/19/1414627019.db2.gz LSWQXCSPILHAMC-ZACQAIPSSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](NC(=O)CC1CC[NH+](C)CC1)C1CC[NH+](CC2CCCC2)CC1 ZINC001701011542 1414670997 /nfs/dbraw/zinc/67/09/97/1414670997.db2.gz RQURUMFWTDDUOX-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC([NH2+]CCC2=CCCCC2)C1 ZINC001701019961 1414680894 /nfs/dbraw/zinc/68/08/94/1414680894.db2.gz TZXSTTPHAKSDAK-GPJFCIFZSA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C\CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2CC(C)C)CC1 ZINC001701052300 1414707554 /nfs/dbraw/zinc/70/75/54/1414707554.db2.gz YYDXVACREKVOBC-PRPIBZDOSA-N 2 0 347.547 3.211 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CC(C)(C)C1 ZINC001732734827 1428935999 /nfs/dbraw/zinc/93/59/99/1428935999.db2.gz UEEMIWGXJGILIK-FUHWJXTLSA-N 2 0 337.552 3.170 10 0 EGAERP CCN(CC[NH2+][C@@H](C)c1ccccc1C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001732779604 1428965346 /nfs/dbraw/zinc/96/53/46/1428965346.db2.gz XIAVTDHQYJXZQX-CGTJXYLNSA-N 2 0 340.471 3.021 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC/C=C\C[NH2+]CC1CCCC1 ZINC001732869796 1429019628 /nfs/dbraw/zinc/01/96/28/1429019628.db2.gz IWJAOZNIMIRAIU-HJWRWDBZSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC ZINC001707183123 1417233385 /nfs/dbraw/zinc/23/33/85/1417233385.db2.gz SDYWTIFVMZBSAC-NMLBUPMWSA-N 2 0 349.563 3.077 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1C[C@H]2[C@@H](C1)[C@H]1CC[C@@H]2[N@@H+](CC)C1 ZINC001707183121 1417233642 /nfs/dbraw/zinc/23/36/42/1417233642.db2.gz SDYWTIFVMZBSAC-MUGJNUQGSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C[NH+]3CCCC3)C(C)(C)[C@H]21 ZINC001707186366 1417235505 /nfs/dbraw/zinc/23/55/05/1417235505.db2.gz NJEXZMXFOCYRQX-RLLQIKCJSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@H]([NH2+]CC3=CCCCC3)C2)CC1 ZINC001707235880 1417256493 /nfs/dbraw/zinc/25/64/93/1417256493.db2.gz SKUQWQHBYYQYKD-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCCCC[C@H]([NH2+]CC=C(C)C)C1 ZINC001707242834 1417262770 /nfs/dbraw/zinc/26/27/70/1417262770.db2.gz XAVUCJRGPIRNEX-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CC(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)CC(C)(C)C2)C1 ZINC001707281211 1417290674 /nfs/dbraw/zinc/29/06/74/1417290674.db2.gz GWUZDBUZYANLOO-ABHNRTSZSA-N 2 0 349.563 3.124 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001707281510 1417291445 /nfs/dbraw/zinc/29/14/45/1417291445.db2.gz PPBKORAMGHJABQ-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)C1([NH+](C)C)CCC1)[C@H](C)c1cccc(C)c1 ZINC001707452286 1417356479 /nfs/dbraw/zinc/35/64/79/1417356479.db2.gz OOMJKYLLGWNQJF-GOSISDBHSA-N 2 0 345.531 3.369 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH+](C)CCC2CCCC2)C1 ZINC001733049183 1429183751 /nfs/dbraw/zinc/18/37/51/1429183751.db2.gz ILDUEUSVDJYINA-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733054023 1429195249 /nfs/dbraw/zinc/19/52/49/1429195249.db2.gz LVSFQPCPOHIVDI-WMZOPIPTSA-N 2 0 325.541 3.122 10 0 EGAERP CC[N@@H+](CC=C(C)C)CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001713014451 1417567230 /nfs/dbraw/zinc/56/72/30/1417567230.db2.gz HRMAZXIWRWMMEN-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC1CC2(CCC2)C1 ZINC001713031420 1417582066 /nfs/dbraw/zinc/58/20/66/1417582066.db2.gz RJVGCFLMBSIFNP-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001713094161 1417642875 /nfs/dbraw/zinc/64/28/75/1417642875.db2.gz DNXANYXDBCQLLY-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC2(C[C@@H]2NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001713098582 1417648709 /nfs/dbraw/zinc/64/87/09/1417648709.db2.gz QYSZMKBYWBOGHP-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CCCN(C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)C1CC[NH+](CC2CCC2)CC1 ZINC001713102132 1417656214 /nfs/dbraw/zinc/65/62/14/1417656214.db2.gz MYMGJOYMKNUCJT-ROUUACIJSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H](C[NH+](C)CCC(C)(C)C)C1 ZINC001713136120 1417717379 /nfs/dbraw/zinc/71/73/79/1417717379.db2.gz YDNFBGXEKWQSKQ-GOSISDBHSA-N 2 0 339.568 3.325 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001713203188 1417774233 /nfs/dbraw/zinc/77/42/33/1417774233.db2.gz CIRNVYRJWXHJHZ-XMTFNYHQSA-N 2 0 335.536 3.066 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)CC[N@@H+]1C ZINC001713231326 1417817833 /nfs/dbraw/zinc/81/78/33/1417817833.db2.gz ORRLRCHKFVCDJI-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001713246044 1417832026 /nfs/dbraw/zinc/83/20/26/1417832026.db2.gz KVSDMEIGXFTDIQ-HXUWFJFHSA-N 2 0 347.547 3.191 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@H]1[C@@H]1CCC[N@@H+]1Cc1ccsc1 ZINC001713270790 1417882482 /nfs/dbraw/zinc/88/24/82/1417882482.db2.gz VBORWUQAGCUOTA-ROUUACIJSA-N 2 0 349.544 3.045 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001713379023 1417989365 /nfs/dbraw/zinc/98/93/65/1417989365.db2.gz MWZKAMGKMYLPOE-BTFXCVNISA-N 2 0 337.552 3.338 10 0 EGAERP CC(C)c1ccc(C[N@H+](C)[C@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001713397959 1418016335 /nfs/dbraw/zinc/01/63/35/1418016335.db2.gz SQAZUOYTYXOQES-FQEVSTJZSA-N 2 0 345.531 3.185 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C/Cl ZINC001713415030 1418038644 /nfs/dbraw/zinc/03/86/44/1418038644.db2.gz UCKNAIVSHVOQCN-HYUXHOLKSA-N 2 0 341.927 3.020 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001713417353 1418041108 /nfs/dbraw/zinc/04/11/08/1418041108.db2.gz OQHLWCABDUQZID-ZUZVGCLLSA-N 2 0 341.515 3.040 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@@H](C)c1ccc2ccccc2c1 ZINC001713478350 1418161727 /nfs/dbraw/zinc/16/17/27/1418161727.db2.gz YONOZTLCFZLZIQ-KRWDZBQOSA-N 2 0 341.499 3.289 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[NH+](C)[C@H](C)c1ccc2ccccc2c1 ZINC001713478351 1418162368 /nfs/dbraw/zinc/16/23/68/1418162368.db2.gz YONOZTLCFZLZIQ-QGZVFWFLSA-N 2 0 341.499 3.289 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CCC1=CCCCC1 ZINC001713496227 1418205122 /nfs/dbraw/zinc/20/51/22/1418205122.db2.gz NLGSVXGZLBLMKC-PMACEKPBSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[NH2+]CCCN(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733100461 1429241895 /nfs/dbraw/zinc/24/18/95/1429241895.db2.gz FHSWWYQUZJJSRI-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001713505583 1418228528 /nfs/dbraw/zinc/22/85/28/1418228528.db2.gz FYBLJUNGSHJKPK-XFHJGTJQSA-N 2 0 335.536 3.188 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H]2CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001713520413 1418262802 /nfs/dbraw/zinc/26/28/02/1418262802.db2.gz ULAFRXANZQRUDC-SOAGJPPSSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CC[N@H+](CCC2CCCCC2)C1)[NH+]1CCCC1 ZINC001713535038 1418287652 /nfs/dbraw/zinc/28/76/52/1418287652.db2.gz YUBLKXCIMXLYBE-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CN(CCC[NH2+]CC1CCC2(CC2)CC1)C(=O)CC1CC[NH+](C)CC1 ZINC001733130450 1429255437 /nfs/dbraw/zinc/25/54/37/1429255437.db2.gz BZGAQAQLVJLWBP-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CC[N@H+](C)C1)c1ccc(C(C)C)cc1 ZINC001713698702 1418454821 /nfs/dbraw/zinc/45/48/21/1418454821.db2.gz QTFHJMNZRSHZGJ-VQTJNVASSA-N 2 0 345.531 3.309 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001713700153 1418457459 /nfs/dbraw/zinc/45/74/59/1418457459.db2.gz BJDFDPFBFGSWIB-YLJYHZDGSA-N 2 0 349.494 3.054 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCC[C@H]2CC[NH+](CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001713728699 1418510807 /nfs/dbraw/zinc/51/08/07/1418510807.db2.gz QZPCCPGUXXCOEB-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC[N@H+](CC2CCC(C)(C)CC2)C1 ZINC001713835211 1418633846 /nfs/dbraw/zinc/63/38/46/1418633846.db2.gz KTERJUYTEOJJPL-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CC(C)(C)C ZINC001713910923 1418707145 /nfs/dbraw/zinc/70/71/45/1418707145.db2.gz VOHSXQRDLXNFSH-HDICACEKSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)(C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001713956103 1418738485 /nfs/dbraw/zinc/73/84/85/1418738485.db2.gz OBVQGNQYSOVXPP-IYARVYRRSA-N 2 0 335.536 3.068 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001713966886 1418746363 /nfs/dbraw/zinc/74/63/63/1418746363.db2.gz FDSJGGHEHCBPQB-WGSAOQKQSA-N 2 0 347.547 3.070 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001714007016 1418786325 /nfs/dbraw/zinc/78/63/25/1418786325.db2.gz GDSWWXFSFWRIKX-OTWHNJEPSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1)[NH+](CC)CC ZINC001714042914 1418833560 /nfs/dbraw/zinc/83/35/60/1418833560.db2.gz JBCZTVJPCCCLHF-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCN(C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)[C@H]1CC[N@H+](CCCC(C)C)C1 ZINC001714044885 1418838913 /nfs/dbraw/zinc/83/89/13/1418838913.db2.gz COIOPTIFSPITIL-FHWLQOOXSA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001714081494 1418875405 /nfs/dbraw/zinc/87/54/05/1418875405.db2.gz YECQMOUWDHWRGH-LJQANCHMSA-N 2 0 345.531 3.279 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001714087108 1418880584 /nfs/dbraw/zinc/88/05/84/1418880584.db2.gz LPMXANVQISIGGL-LJQANCHMSA-N 2 0 345.531 3.380 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1)[NH+](CC)CC ZINC001714115743 1418918016 /nfs/dbraw/zinc/91/80/16/1418918016.db2.gz UFDBPFMWGHKFBE-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](CC)CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001714125398 1418930185 /nfs/dbraw/zinc/93/01/85/1418930185.db2.gz VDSMZQAESLUZSD-VQTJNVASSA-N 2 0 345.531 3.108 10 0 EGAERP CCc1ccc(C[NH2+][C@H](CC)CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001714125397 1418930277 /nfs/dbraw/zinc/93/02/77/1418930277.db2.gz VDSMZQAESLUZSD-UXHICEINSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001714141922 1418944504 /nfs/dbraw/zinc/94/45/04/1418944504.db2.gz KGVCYKYMPNDMHC-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)C[NH+](C)C2CCC2)C1 ZINC001714149031 1418954904 /nfs/dbraw/zinc/95/49/04/1418954904.db2.gz BPSLPCCFNCYDCW-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)(C(=O)NCc1ccc(C[NH2+]CC2CCC2)cc1)[NH+]1CCCC1 ZINC001714321125 1419099819 /nfs/dbraw/zinc/09/98/19/1419099819.db2.gz OBDFYYKJLFYCDO-UHFFFAOYSA-N 2 0 343.515 3.067 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001714336466 1419114020 /nfs/dbraw/zinc/11/40/20/1419114020.db2.gz ZVGFHRSTSPVFPS-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001714395614 1419141485 /nfs/dbraw/zinc/14/14/85/1419141485.db2.gz DZNMEXLQNMOZRT-PKOBYXMFSA-N 2 0 349.563 3.173 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]([NH2+]CC2CCCC2)C1 ZINC001714417779 1419154749 /nfs/dbraw/zinc/15/47/49/1419154749.db2.gz QGDOODZRXXSWJX-RBUKOAKNSA-N 2 0 335.536 3.070 10 0 EGAERP CC[C@@H](C)C[N@H+](C)[C@@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714440386 1419172234 /nfs/dbraw/zinc/17/22/34/1419172234.db2.gz KILGVKOZNSPHJE-CRAIPNDOSA-N 2 0 342.487 3.225 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)Cc2ccccc2)C1)[NH+](CC)CC ZINC001714449294 1419182416 /nfs/dbraw/zinc/18/24/16/1419182416.db2.gz QTXNTOMFICHXHL-VQTJNVASSA-N 2 0 345.531 3.230 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001714499320 1419224644 /nfs/dbraw/zinc/22/46/44/1419224644.db2.gz NKYAYYLMUPRFSV-ROUUACIJSA-N 2 0 345.531 3.451 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)[NH+]1CCCC1 ZINC001714501179 1419227365 /nfs/dbraw/zinc/22/73/65/1419227365.db2.gz ZSXJSJMMMRVUMH-UHFFFAOYSA-N 2 0 335.536 3.070 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001714507324 1419234538 /nfs/dbraw/zinc/23/45/38/1419234538.db2.gz WZLJTESGLCHTHO-WAYWQWQTSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCC[NH+](CCC2CCCCCC2)C2CC2)C1 ZINC001714672358 1419462638 /nfs/dbraw/zinc/46/26/38/1419462638.db2.gz BARLGIXWIATANI-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CCCCC2)C1 ZINC001714731191 1419486572 /nfs/dbraw/zinc/48/65/72/1419486572.db2.gz RUURXTFOZCQWCY-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CC1CCCCC1 ZINC001714825009 1419535183 /nfs/dbraw/zinc/53/51/83/1419535183.db2.gz QKJBRYZPYUYCBX-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001714844755 1419556816 /nfs/dbraw/zinc/55/68/16/1419556816.db2.gz FWDXQRDIYPDMPI-HXUWFJFHSA-N 2 0 345.531 3.212 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714862428 1419585689 /nfs/dbraw/zinc/58/56/89/1419585689.db2.gz GMMIAXXANPXEOM-VOFKWLDRSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001714862529 1419586703 /nfs/dbraw/zinc/58/67/03/1419586703.db2.gz BOQWUTFKMJQBCF-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001714865713 1419592193 /nfs/dbraw/zinc/59/21/93/1419592193.db2.gz QIMLISYRLNWZJT-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@@H]2CCCC[N@H+]2CC)cc1 ZINC001714881990 1419619383 /nfs/dbraw/zinc/61/93/83/1419619383.db2.gz PSCGBPYLXCJUIX-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](C[NH+](C)CCC2CCCC2)C1 ZINC001714910109 1419655174 /nfs/dbraw/zinc/65/51/74/1419655174.db2.gz SSPTUQMWAODMFR-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1CCCC1)NC(=O)C12CCC[NH+]1CCC2 ZINC001714917878 1419669254 /nfs/dbraw/zinc/66/92/54/1419669254.db2.gz IXXQXUBQIHQSHM-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP Cc1cccc([C@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001714922871 1419675638 /nfs/dbraw/zinc/67/56/38/1419675638.db2.gz XMPGINSSLYAHPS-AZUAARDMSA-N 2 0 345.531 3.369 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714992132 1419724605 /nfs/dbraw/zinc/72/46/05/1419724605.db2.gz MINOYIIYRFJRJZ-GFQMDTTRSA-N 2 0 347.547 3.138 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001715013423 1419741549 /nfs/dbraw/zinc/74/15/49/1419741549.db2.gz CABQYMZDCRWJHA-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)CCC[NH+](C)C)C2)c1 ZINC001715019073 1419750256 /nfs/dbraw/zinc/75/02/56/1419750256.db2.gz ILBIJBWVMKMBPB-RBUKOAKNSA-N 2 0 345.531 3.239 10 0 EGAERP C[C@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@H]1[NH2+]CCC1CCCCC1 ZINC001715046824 1419787554 /nfs/dbraw/zinc/78/75/54/1419787554.db2.gz BKFOMLRRZVSXJS-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CCN(C(=O)C[C@H]1CC[NH+](C)C1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001715047856 1419788502 /nfs/dbraw/zinc/78/85/02/1419788502.db2.gz UANKBNRBBCOKFY-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001715075616 1419810484 /nfs/dbraw/zinc/81/04/84/1419810484.db2.gz OYJJETSMFHOABH-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](CC)[NH2+]CC2CC(C)(C)C2)C1 ZINC001715077312 1419812463 /nfs/dbraw/zinc/81/24/63/1419812463.db2.gz XBBNGKKCXSQGHS-QZTJIDSGSA-N 2 0 337.552 3.029 10 0 EGAERP CCC(CC)C[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CCCC1 ZINC001715095412 1419836096 /nfs/dbraw/zinc/83/60/96/1419836096.db2.gz SPXMUOABRNILHH-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@H]1[NH2+]CCC1CCCC1 ZINC001715099332 1419840241 /nfs/dbraw/zinc/84/02/41/1419840241.db2.gz PRZMLLUYRSLXLD-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC1=CCCCC1 ZINC001715099280 1419840367 /nfs/dbraw/zinc/84/03/67/1419840367.db2.gz PIPQWOOABKTXOH-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001715190769 1419923060 /nfs/dbraw/zinc/92/30/60/1419923060.db2.gz KTEMYYIAZSSYNY-CAMMJAKZSA-N 2 0 337.552 3.312 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C ZINC001715215890 1419947958 /nfs/dbraw/zinc/94/79/58/1419947958.db2.gz UYXZNRQCPVYTFR-LSLCWXNRSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001715274604 1419990104 /nfs/dbraw/zinc/99/01/04/1419990104.db2.gz XWPHXJMWFFQCCU-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C2(CNC(=O)CC[NH+](C)C)CCCC2)C1 ZINC001715305818 1420014431 /nfs/dbraw/zinc/01/44/31/1420014431.db2.gz YYXPOYVWDGORSF-ROUUACIJSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001715305879 1420014723 /nfs/dbraw/zinc/01/47/23/1420014723.db2.gz GNQLXDNFKMCXSG-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](C[NH2+]C/C=C\c1ccccc1)N(C)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715333637 1420038828 /nfs/dbraw/zinc/03/88/28/1420038828.db2.gz BAGBSAYFGPHBDP-GDSCYZHGSA-N 2 0 343.515 3.011 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001715339080 1420042373 /nfs/dbraw/zinc/04/23/73/1420042373.db2.gz MCVUWUVHOFYQGC-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1ccsc1)C1CCC1 ZINC001715436970 1420122873 /nfs/dbraw/zinc/12/28/73/1420122873.db2.gz WDQCFDIQZUUATG-GOSISDBHSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001715478572 1420157140 /nfs/dbraw/zinc/15/71/40/1420157140.db2.gz PMBRGLQZNAKGLZ-ZWKOTPCHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001715491712 1420173196 /nfs/dbraw/zinc/17/31/96/1420173196.db2.gz UDXSNFIPZNVWAI-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[N@H+](C)CCC1CCCC1)[NH+]1CCCC1 ZINC001715539324 1420236489 /nfs/dbraw/zinc/23/64/89/1420236489.db2.gz KDDVRTIRFRSEMP-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@H](CNC(=O)CC[NH+](C)C)C(C)C)c1 ZINC001715622140 1420268670 /nfs/dbraw/zinc/26/86/70/1420268670.db2.gz QKPXVCPBSVLCOI-IEBWSBKVSA-N 2 0 333.520 3.047 10 0 EGAERP C[C@H](CC[NH2+]CCC1CCCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715688171 1420295244 /nfs/dbraw/zinc/29/52/44/1420295244.db2.gz WIRMALJVXDPUAQ-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CC1CCC(C[NH2+]C/C=C/CNC(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001715814320 1420353182 /nfs/dbraw/zinc/35/31/82/1420353182.db2.gz DLEIBSRBVQXFCB-AATRIKPKSA-N 2 0 349.563 3.339 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC/C=C/C[NH2+]CC2=CCCCC2)cc1 ZINC001715882392 1420381810 /nfs/dbraw/zinc/38/18/10/1420381810.db2.gz ISMJTKIYKBXIBT-VOTSOKGWSA-N 2 0 341.499 3.124 10 0 EGAERP Cc1ccccc1C[NH+](C)C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001716029132 1420487622 /nfs/dbraw/zinc/48/76/22/1420487622.db2.gz DWDLMIFAEAXCMV-QUCCMNQESA-N 2 0 345.531 3.052 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001716041482 1420503095 /nfs/dbraw/zinc/50/30/95/1420503095.db2.gz YYSJQHVSIUPAQP-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H]2CCC[C@@H]2NC(=O)CC[NH+](C)C)cc1 ZINC001716069144 1420526452 /nfs/dbraw/zinc/52/64/52/1420526452.db2.gz JFGMMOCZOSUADF-PMACEKPBSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001716140692 1420539291 /nfs/dbraw/zinc/53/92/91/1420539291.db2.gz ZOQGULVIUISNFR-ROUUACIJSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716146423 1420541740 /nfs/dbraw/zinc/54/17/40/1420541740.db2.gz QZLPIQJPZKAURY-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP Cc1c(C(=O)N[C@H](C)CC[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001716154675 1420544030 /nfs/dbraw/zinc/54/40/30/1420544030.db2.gz MDKSRAPAKPISNM-CQSZACIVSA-N 2 0 330.476 3.177 10 0 EGAERP CCN(CC[NH2+]CC1CCCC1)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716235891 1420576286 /nfs/dbraw/zinc/57/62/86/1420576286.db2.gz VGVMAKKRTWRHCY-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@@H]([NH2+]C/C=C\CNC(=O)C[N@H+](C)C1CCC1)c1ccc(Cl)cc1 ZINC001716307284 1420599615 /nfs/dbraw/zinc/59/96/15/1420599615.db2.gz WNWQEYKYNWFDRR-ABCZVMIZSA-N 2 0 349.906 3.147 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)C/C=C\c1ccccc1 ZINC001716477312 1420693020 /nfs/dbraw/zinc/69/30/20/1420693020.db2.gz FKFYTTJFEKDYDM-OFCQAKPVSA-N 2 0 343.515 3.009 10 0 EGAERP C[C@H](C[N@H+](C)CCC1CCCCCC1)NC(=O)C[NH+]1CC[C@H](C)C1 ZINC001716494784 1420717822 /nfs/dbraw/zinc/71/78/22/1420717822.db2.gz BCQMXEYAMKSTQA-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H](C)NC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001716496057 1420719832 /nfs/dbraw/zinc/71/98/32/1420719832.db2.gz NULCJBRBVSBBJD-HNAYVOBHSA-N 2 0 343.531 3.072 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)CCC1CCCCC1 ZINC001716507702 1420739458 /nfs/dbraw/zinc/73/94/58/1420739458.db2.gz GDIIKFGDURBXEF-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716521134 1420749411 /nfs/dbraw/zinc/74/94/11/1420749411.db2.gz IBMASICFCTWWLU-WOJBJXKFSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001716547128 1420757032 /nfs/dbraw/zinc/75/70/32/1420757032.db2.gz GIXVQAIZQHBFFD-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP CN(CCC[NH2+]CC1=CCCCC1)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001716585864 1420769045 /nfs/dbraw/zinc/76/90/45/1420769045.db2.gz IEPPBSANHSSBAE-UHFFFAOYSA-N 2 0 343.515 3.300 10 0 EGAERP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001716634697 1420792709 /nfs/dbraw/zinc/79/27/09/1420792709.db2.gz FEFZGGJZBRVVTE-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001716651385 1420805310 /nfs/dbraw/zinc/80/53/10/1420805310.db2.gz SGUCERPPOAKRPA-KFONASLZSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@@H](C(=O)NCC2([NH2+]CCC3CCCCC3)CC2)C1 ZINC001716699360 1420851704 /nfs/dbraw/zinc/85/17/04/1420851704.db2.gz NJNCZKHQVPUZII-MOPGFXCFSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](C2CCN(C(=O)CC[NH+](C)C)CC2)C1 ZINC001716704053 1420858116 /nfs/dbraw/zinc/85/81/16/1420858116.db2.gz LHNFVXCCCHJREA-YJJPMGAVSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001716707509 1420861391 /nfs/dbraw/zinc/86/13/91/1420861391.db2.gz ZOWRTHAKDSWOKY-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C1(C[NH+](C)C)CC1 ZINC001716708282 1420862155 /nfs/dbraw/zinc/86/21/55/1420862155.db2.gz YQFBJNPQIMAFBD-AYHJJNSGSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001716708534 1420862378 /nfs/dbraw/zinc/86/23/78/1420862378.db2.gz JGEBAJJZAGEZBC-AYHJJNSGSA-N 2 0 347.547 3.020 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001716724034 1420881565 /nfs/dbraw/zinc/88/15/65/1420881565.db2.gz BNLPRHMOAXCSIP-RRFGBZISSA-N 2 0 347.547 3.142 10 0 EGAERP CN(C(=O)CC[N@H+](C)C1CCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001716745471 1420899823 /nfs/dbraw/zinc/89/98/23/1420899823.db2.gz NYBGMVYSDNFLRV-UHFFFAOYSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]1C[NH2+]CC1CC2(CCC2)C1)[NH+](CC)CC ZINC001716784020 1420920503 /nfs/dbraw/zinc/92/05/03/1420920503.db2.gz GKKWOIDRLSOXOM-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP O=C(C[NH+]1CCCC1)NCC[N@H+](CC1CCCC1)C1CCCCCC1 ZINC001733279059 1429448732 /nfs/dbraw/zinc/44/87/32/1429448732.db2.gz SSUQEXWVINMKKA-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP CCCCCC[NH2+]C[C@@]1(C)CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001716866468 1420995355 /nfs/dbraw/zinc/99/53/55/1420995355.db2.gz CUJVGTGMOQNXBH-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CC1(CNC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC[NH+](CCC2CC2)CC1 ZINC001716885230 1421008559 /nfs/dbraw/zinc/00/85/59/1421008559.db2.gz IZVIISRMQDYMIZ-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001716888635 1421012152 /nfs/dbraw/zinc/01/21/52/1421012152.db2.gz YCPLNCYVYUDBEO-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001716987101 1421062052 /nfs/dbraw/zinc/06/20/52/1421062052.db2.gz CXKFGJWHZRGTHO-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]1CN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001716986788 1421062217 /nfs/dbraw/zinc/06/22/17/1421062217.db2.gz XPOXILROXHYXMH-AEFFLSMTSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CCCC(C)(C)C)[NH+](C)C ZINC001717039091 1421093951 /nfs/dbraw/zinc/09/39/51/1421093951.db2.gz SWKUCPKMKINTNY-KSZLIROESA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)[N@H+](C)Cc1ccccc1CNC(=O)CC[NH+]1CCCCC1 ZINC001717117225 1421121533 /nfs/dbraw/zinc/12/15/33/1421121533.db2.gz PVOVMWBZZBFPPG-UHFFFAOYSA-N 2 0 331.504 3.019 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@H](NC(=O)CC[C@H]2CCC[N@H+]2C)CC1 ZINC001717121646 1421125036 /nfs/dbraw/zinc/12/50/36/1421125036.db2.gz IPEHBTMUTWJCLG-GUDVDZBRSA-N 2 0 335.536 3.092 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001717217561 1421195310 /nfs/dbraw/zinc/19/53/10/1421195310.db2.gz SNCNHEUMBQIGDZ-PMACEKPBSA-N 2 0 349.563 3.366 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CC(C)C2)CC1 ZINC001717242275 1421210857 /nfs/dbraw/zinc/21/08/57/1421210857.db2.gz SEHSKXZCRJXELO-CTWPCTMYSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@]2(C1)CCC[N@H+](CC1=CCCCC1)C2 ZINC001733289234 1429466332 /nfs/dbraw/zinc/46/63/32/1429466332.db2.gz OWCLQSPVKFVBSV-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@H](NC(=O)[C@@H]2CCC[N@H+]2CCC)C(C)(C)C1 ZINC001717309379 1421252012 /nfs/dbraw/zinc/25/20/12/1421252012.db2.gz LMRNMANMFXBRDF-XSAZBNQGSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N1CCC[C@H]1C[NH+](C)CC(C)C)c1ccccc1 ZINC001717375656 1421317096 /nfs/dbraw/zinc/31/70/96/1421317096.db2.gz ZZVWKSSSSXRUTO-VQTJNVASSA-N 2 0 345.531 3.258 10 0 EGAERP CN(C)[C@@H](C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001717394224 1421330560 /nfs/dbraw/zinc/33/05/60/1421330560.db2.gz CLHMIWKOLCCVFA-NKELODKYSA-N 2 0 345.531 3.210 10 0 EGAERP CN(C)[C@H](C(=O)NC1CC(C[NH2+]CCC(C)(C)C)C1)c1ccccc1 ZINC001717394223 1421330571 /nfs/dbraw/zinc/33/05/71/1421330571.db2.gz CLHMIWKOLCCVFA-KVZIAJEVSA-N 2 0 345.531 3.210 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001733294865 1429477015 /nfs/dbraw/zinc/47/70/15/1429477015.db2.gz TYWBGEATUCZXNY-TZIWHRDSSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@H+](C)[C@@H](C)CNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001717486638 1421423650 /nfs/dbraw/zinc/42/36/50/1421423650.db2.gz BLXQNJFMTPURFE-LPHOPBHVSA-N 2 0 343.531 3.216 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@]2(CC[NH+](CCC3=CCCCC3)C2)C1 ZINC001733297192 1429479531 /nfs/dbraw/zinc/47/95/31/1429479531.db2.gz OEIGLTWAJQJLMQ-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001717500058 1421443387 /nfs/dbraw/zinc/44/33/87/1421443387.db2.gz ONTKMSUDUQJGCM-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CC(C[N@@H+]2C[C@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)C2)C1 ZINC001717590295 1421519213 /nfs/dbraw/zinc/51/92/13/1421519213.db2.gz XMUHVQCGKMVULR-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001717644638 1421547935 /nfs/dbraw/zinc/54/79/35/1421547935.db2.gz DHTNQXIEFAROPL-IYARVYRRSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717646286 1421548268 /nfs/dbraw/zinc/54/82/68/1421548268.db2.gz GBDAKVYLDVHQSL-GUDVDZBRSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001717671317 1421559671 /nfs/dbraw/zinc/55/96/71/1421559671.db2.gz NDBGQMHBSUIACO-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](CCC[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717678512 1421562394 /nfs/dbraw/zinc/56/23/94/1421562394.db2.gz JVIXAUDBBVOOSZ-QGZVFWFLSA-N 2 0 335.536 3.236 10 0 EGAERP C[C@@H](CCC[NH2+]CC1=CCCCC1)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717678511 1421562494 /nfs/dbraw/zinc/56/24/94/1421562494.db2.gz JVIXAUDBBVOOSZ-KRWDZBQOSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1ccccc1 ZINC001717721046 1421589370 /nfs/dbraw/zinc/58/93/70/1421589370.db2.gz KJWMHJPGVRLNLK-YSIASYRMSA-N 2 0 345.531 3.037 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001717744405 1421608025 /nfs/dbraw/zinc/60/80/25/1421608025.db2.gz AQPWTDGJMWQQJM-QFBILLFUSA-N 2 0 349.494 3.025 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001717831057 1421643484 /nfs/dbraw/zinc/64/34/84/1421643484.db2.gz WRBXMMOHCDFITF-APWZRJJASA-N 2 0 345.531 3.377 10 0 EGAERP CC(C)[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001717836248 1421649569 /nfs/dbraw/zinc/64/95/69/1421649569.db2.gz GZCVFQNMLIEQIV-PXNSSMCTSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)CC[C@H]3CCC[NH+]3C)CCC[C@@H]12 ZINC001717837356 1421651033 /nfs/dbraw/zinc/65/10/33/1421651033.db2.gz MZWCICRESSBCLT-QWFCFKBJSA-N 2 0 335.536 3.164 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@@H]2C1 ZINC001717849370 1421662466 /nfs/dbraw/zinc/66/24/66/1421662466.db2.gz NYIRCANELJCMKR-ZCNNSNEGSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3CCCCC3)[C@H]2C1 ZINC001717849368 1421662538 /nfs/dbraw/zinc/66/25/38/1421662538.db2.gz NYIRCANELJCMKR-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CC2CCC3(CC3)CC2)C(C)(C)C1 ZINC001717903212 1421699248 /nfs/dbraw/zinc/69/92/48/1421699248.db2.gz OADZDEODBWULCR-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001717906672 1421702045 /nfs/dbraw/zinc/70/20/45/1421702045.db2.gz ZJHBYYLDDQSSDJ-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC1CCCC1)C(=O)[C@@H]1CC[NH+](C)C1 ZINC001717952438 1421723683 /nfs/dbraw/zinc/72/36/83/1421723683.db2.gz HXDHJPMLTPKMPT-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959828 1421731505 /nfs/dbraw/zinc/73/15/05/1421731505.db2.gz INGHBJJUMPQCFG-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@H]2CCCC[N@@H+]2CC)CC1 ZINC001717985388 1421758024 /nfs/dbraw/zinc/75/80/24/1421758024.db2.gz IERAMFHSDXMWGI-KQPGTDLCSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001717986022 1421758429 /nfs/dbraw/zinc/75/84/29/1421758429.db2.gz YTXZWQYKWXIFFF-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[N@H+]1CC=C(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001718024897 1421779443 /nfs/dbraw/zinc/77/94/43/1421779443.db2.gz DRHSLHIQPJXFFG-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001733342333 1429525620 /nfs/dbraw/zinc/52/56/20/1429525620.db2.gz TZXABIBLMKZNED-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC1CCC(C[NH+]2CCC(C)(NC(=O)C[N@H+](C)C3CCC3)CC2)CC1 ZINC001733357899 1429539344 /nfs/dbraw/zinc/53/93/44/1429539344.db2.gz XYXCOGJBDFHXFV-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001733358794 1429541183 /nfs/dbraw/zinc/54/11/83/1429541183.db2.gz UEYWAIBJAJLPAI-UEKDZROGSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@H+](CC(=O)N[C@]1(C)CC[NH+](CC2=CCCCC2)C1)CC(C)(C)C ZINC001733410178 1429609685 /nfs/dbraw/zinc/60/96/85/1429609685.db2.gz DRMURXYCUMPVFQ-HXUWFJFHSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001733414060 1429617514 /nfs/dbraw/zinc/61/75/14/1429617514.db2.gz XDDCEOWGCSQQFP-AZUAARDMSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@](C)(NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001733415077 1429619270 /nfs/dbraw/zinc/61/92/70/1429619270.db2.gz ZRKHSCVQSNEDNJ-OAQYLSRUSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001733467204 1429700895 /nfs/dbraw/zinc/70/08/95/1429700895.db2.gz DINZQFHBLKKGID-PZJWPPBQSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CCc1c[nH]cn1)c1cccc(Cl)c1 ZINC001723037549 1424291043 /nfs/dbraw/zinc/29/10/43/1424291043.db2.gz FSKQKBIBNBFBKX-CQSZACIVSA-N 2 0 348.878 3.195 10 0 EGAERP CN(CCC[NH2+]CCC1CC1)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001723101008 1424300070 /nfs/dbraw/zinc/30/00/70/1424300070.db2.gz LMZVOOLFRHLHOC-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CC1=CCCCC1)C2 ZINC001723690729 1424532258 /nfs/dbraw/zinc/53/22/58/1424532258.db2.gz JIUDBUXYKSWODM-OAQYLSRUSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)[C@H](C)C1 ZINC001723859868 1424588251 /nfs/dbraw/zinc/58/82/51/1424588251.db2.gz HHGJIBHABDGONF-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001723864539 1424592683 /nfs/dbraw/zinc/59/26/83/1424592683.db2.gz WOKFUHFFOWDEJV-AEFFLSMTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533233 1429739873 /nfs/dbraw/zinc/73/98/73/1429739873.db2.gz ITBRWSIYYUKIGJ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001723981883 1424616965 /nfs/dbraw/zinc/61/69/65/1424616965.db2.gz OBOSCEDNRVWDCH-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CC1CC(C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C2CCCC2)C1 ZINC001724097543 1424660631 /nfs/dbraw/zinc/66/06/31/1424660631.db2.gz LLWBBFKWIBHGKH-TVPLGVNVSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001724162183 1424698425 /nfs/dbraw/zinc/69/84/25/1424698425.db2.gz NHDBNLBQFAXWRP-QUCCMNQESA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@]2(C)CC[NH+](CCC3CCCCCC3)C2)C1 ZINC001724182381 1424715988 /nfs/dbraw/zinc/71/59/88/1424715988.db2.gz AFEDQLXYFPPMCG-TZIWHRDSSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2=CCCCC2)C1)[NH+](C)C ZINC001724325285 1424815126 /nfs/dbraw/zinc/81/51/26/1424815126.db2.gz XDKAXRYWGGVOMO-QUCCMNQESA-N 2 0 335.536 3.045 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]C(C)C)c1ccccc1CC ZINC001724512327 1424889374 /nfs/dbraw/zinc/88/93/74/1424889374.db2.gz ROGHWVPIISZZBF-WOJBJXKFSA-N 2 0 345.531 3.279 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724556282 1424911250 /nfs/dbraw/zinc/91/12/50/1424911250.db2.gz XDDKVUQYEPEMLZ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@H]1C[NH2+]CC1CCCC1 ZINC001724608869 1424945898 /nfs/dbraw/zinc/94/58/98/1424945898.db2.gz QFRURPXXGWIQQB-AZUAARDMSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]1CN(C(=O)CCCC[NH+]2CCCC2)C[C@@H]1C[NH2+]CC1CCCC1 ZINC001724608872 1424946078 /nfs/dbraw/zinc/94/60/78/1424946078.db2.gz QFRURPXXGWIQQB-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@H](CC[NH2+]CCCC3CCC3)C2)CC[N@@H+]1C ZINC001724710050 1425065589 /nfs/dbraw/zinc/06/55/89/1425065589.db2.gz XVNYFSMFMKDEBO-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001724738890 1425099709 /nfs/dbraw/zinc/09/97/09/1425099709.db2.gz ROSDTRFWLZPXAR-PMACEKPBSA-N 2 0 343.515 3.162 10 0 EGAERP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001724742971 1425111005 /nfs/dbraw/zinc/11/10/05/1425111005.db2.gz DKZVSSAZVJFACH-DLBZAZTESA-N 2 0 331.504 3.238 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCCC2CCC2)C1 ZINC001724749464 1425119002 /nfs/dbraw/zinc/11/90/02/1425119002.db2.gz MYAMDJHMCTVQPF-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCC1 ZINC001724795959 1425163140 /nfs/dbraw/zinc/16/31/40/1425163140.db2.gz JDXKCGHEFQSVCO-OJBOGMDESA-N 2 0 347.547 3.378 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001724839272 1425188145 /nfs/dbraw/zinc/18/81/45/1425188145.db2.gz AKZUCUZOMMQMFZ-SFFCAUCYSA-N 2 0 335.536 3.045 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001724885828 1425269118 /nfs/dbraw/zinc/26/91/18/1425269118.db2.gz GHTOZIZXQLMCDQ-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001724900550 1425295445 /nfs/dbraw/zinc/29/54/45/1425295445.db2.gz TZPPCCQQRJPQPG-NGQOVYEWSA-N 2 0 347.547 3.142 10 0 EGAERP CC[N@H+](C)CCC(=O)NCc1ccc2c(c1)C[NH+](CC1CCCC1)C2 ZINC001724923645 1425310988 /nfs/dbraw/zinc/31/09/88/1425310988.db2.gz ONFZHZOANYCLTL-UHFFFAOYSA-N 2 0 343.515 3.150 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC(C)([NH2+]C/C=C/c2ccccc2)CC1 ZINC001724957118 1425343911 /nfs/dbraw/zinc/34/39/11/1425343911.db2.gz PUQIRHSMSZRPBQ-YRNVUSSQSA-N 2 0 343.515 3.012 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(C)([NH2+]Cc2cccc(CC)c2)CC1 ZINC001724960904 1425349189 /nfs/dbraw/zinc/34/91/89/1425349189.db2.gz GBKZOANMVROTHT-UHFFFAOYSA-N 2 0 345.531 3.062 10 0 EGAERP Cc1ccccc1C[N@@H+](C)C[C@H]1CCCN1C(=O)CCCC[NH+](C)C ZINC001725051072 1425483766 /nfs/dbraw/zinc/48/37/66/1425483766.db2.gz BYNBTQYBUUXKLD-HXUWFJFHSA-N 2 0 345.531 3.150 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001725057415 1425494644 /nfs/dbraw/zinc/49/46/44/1425494644.db2.gz HJSKCPSTCUHJCH-HXUWFJFHSA-N 2 0 343.515 3.251 10 0 EGAERP Cc1ccc(C[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001725172337 1425682650 /nfs/dbraw/zinc/68/26/50/1425682650.db2.gz LADKODODYPBYDO-SFHVURJKSA-N 2 0 345.531 3.114 10 0 EGAERP C[N@H+](CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1)C1CCC1 ZINC001725221548 1425790086 /nfs/dbraw/zinc/79/00/86/1425790086.db2.gz BJEDXPGYIGDOBH-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCCC1 ZINC001725224539 1425792695 /nfs/dbraw/zinc/79/26/95/1425792695.db2.gz USOUETCDSZAWPX-MOPGFXCFSA-N 2 0 347.547 3.378 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1C[NH+](CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001725263275 1425895466 /nfs/dbraw/zinc/89/54/66/1425895466.db2.gz HZZIUZMQYZVICM-VQIMIIECSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1C[NH+](CCC2=CCCCC2)CC1(C)C ZINC001725300522 1425948591 /nfs/dbraw/zinc/94/85/91/1425948591.db2.gz UIYFQFJAOZJHHH-SFHVURJKSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@@H]2C[N@H+](CCCC3CCCC3)C[C@@H]2C1 ZINC001725340776 1425990325 /nfs/dbraw/zinc/99/03/25/1425990325.db2.gz ZBDMXCCRWCSYEZ-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC001725408735 1426053458 /nfs/dbraw/zinc/05/34/58/1426053458.db2.gz AYMXTLDJIOUIHY-PXNSSMCTSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1cccc(C[NH2+]CCC[C@@H](C)NC(=O)C[NH+]2CCC(C)CC2)c1 ZINC001725409046 1426053621 /nfs/dbraw/zinc/05/36/21/1426053621.db2.gz PVNOYSUNSXEYRI-LJQANCHMSA-N 2 0 345.531 3.101 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)CCC[NH+]1CCCC1 ZINC001725605638 1426262833 /nfs/dbraw/zinc/26/28/33/1426262833.db2.gz KUOCYLADKPWICV-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CC2CCC3(CC3)CC2)[C@@H]1C ZINC001725619308 1426282581 /nfs/dbraw/zinc/28/25/81/1426282581.db2.gz FULIAYWNGJDEKF-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCC(C)(C)C)CC2 ZINC001725629351 1426296303 /nfs/dbraw/zinc/29/63/03/1426296303.db2.gz MQJYPAAPKDPMFC-PXNSSMCTSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)CCCC[NH+]3CCCC3)CCC[C@H]12 ZINC001725643675 1426323495 /nfs/dbraw/zinc/32/34/95/1426323495.db2.gz XXWWOUWWKWYKAK-ICSRJNTNSA-N 2 0 335.536 3.166 10 0 EGAERP CC(C)N(CC[N@H+](C)CCC1CCCCC1)C(=O)C[NH+]1CCCC1 ZINC001725733845 1426406781 /nfs/dbraw/zinc/40/67/81/1426406781.db2.gz SZSCSEXPGFDXDJ-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](Cc2ccccc2C)CC1 ZINC001725775458 1426459498 /nfs/dbraw/zinc/45/94/98/1426459498.db2.gz JZYFOMQGIZBTQI-SFHVURJKSA-N 2 0 345.531 3.054 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+](C)CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001731239504 1427196175 /nfs/dbraw/zinc/19/61/75/1427196175.db2.gz ANIJDRQZUANJDP-UYAOXDASSA-N 2 0 345.531 3.367 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NCCC[N@@H+](C)CC2=CCCCC2)C1 ZINC001731277529 1427221881 /nfs/dbraw/zinc/22/18/81/1427221881.db2.gz IPJNGOJATYNPGK-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001731298713 1427241173 /nfs/dbraw/zinc/24/11/73/1427241173.db2.gz YTRYLXZMYJVWNC-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1CC)CC1CC2(CCC2)C1 ZINC001731324202 1427264639 /nfs/dbraw/zinc/26/46/39/1427264639.db2.gz ULRLTGFJFYBJBV-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001731468561 1427448412 /nfs/dbraw/zinc/44/84/12/1427448412.db2.gz PLCIBHDGRAFQBQ-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP C[NH+]1CCC(CC(=O)NC[C@@H]2CCCC[N@@H+]2CC2CC(C)(C)C2)CC1 ZINC001731541430 1427549607 /nfs/dbraw/zinc/54/96/07/1427549607.db2.gz AOWLBHQWRHBGMT-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@H]([NH2+]CCC3CC3)C2)CCCCC1 ZINC001731697156 1427747403 /nfs/dbraw/zinc/74/74/03/1427747403.db2.gz GCCFRYXTKUKOCT-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)CCC[N@H+](C)[C@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001731712469 1427771873 /nfs/dbraw/zinc/77/18/73/1427771873.db2.gz RKJAVJMWONSDCA-SFHVURJKSA-N 2 0 339.568 3.323 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001731855634 1428088744 /nfs/dbraw/zinc/08/87/44/1428088744.db2.gz WLCLQIKKPPBQNQ-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](C(=O)N(C)CC[NH2+]C/C=C\c1ccccc1)[NH+]1CCCCCC1 ZINC001731962053 1428185287 /nfs/dbraw/zinc/18/52/87/1428185287.db2.gz LWTMECNICMNQNN-XGCMIMOYSA-N 2 0 343.515 3.012 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CC1 ZINC001733601311 1429805969 /nfs/dbraw/zinc/80/59/69/1429805969.db2.gz HVISVAJXDVMIGJ-WOJBJXKFSA-N 2 0 347.547 3.118 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733673389 1429867856 /nfs/dbraw/zinc/86/78/56/1429867856.db2.gz QUIKAPGEUAEERZ-UXHICEINSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001733677613 1429876902 /nfs/dbraw/zinc/87/69/02/1429876902.db2.gz RYOBAASKQVKMTE-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C23CC[NH+](CC2)C3)cc1 ZINC001733683597 1429898070 /nfs/dbraw/zinc/89/80/70/1429898070.db2.gz FFTBIZGNPKUIGQ-IRXDYDNUSA-N 2 0 343.515 3.095 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)CC1 ZINC001733690094 1429906895 /nfs/dbraw/zinc/90/68/95/1429906895.db2.gz FCTXAGKQSOGCJP-UAPYVXQJSA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001733691528 1429908289 /nfs/dbraw/zinc/90/82/89/1429908289.db2.gz IYRYQURQRRBQAX-VJANTYMQSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@H](C)C[NH+]1CCC2(CN(C(=O)CCC[NH+]3CCCCC3)C2)CC1 ZINC001733696201 1429914409 /nfs/dbraw/zinc/91/44/09/1429914409.db2.gz XOXBISGUQCSXTK-IBGZPJMESA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C\CC[NH2+]C1(CNC(=O)C2CC[NH+](C(C)C)CC2)CCC1 ZINC001733725289 1429950757 /nfs/dbraw/zinc/95/07/57/1429950757.db2.gz CYISYIIHZNLXDE-WAYWQWQTSA-N 2 0 335.536 3.092 10 0 EGAERP CCC1([NH2+]CCCC(C)C)CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001733805765 1430076477 /nfs/dbraw/zinc/07/64/77/1430076477.db2.gz SELPRLQHOZJSQD-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[NH+](CC2=CCCCC2)CC1(C)C ZINC001733878046 1437705235 /nfs/dbraw/zinc/70/52/35/1437705235.db2.gz HCRJWUMDQUWYIQ-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001733937045 1437751639 /nfs/dbraw/zinc/75/16/39/1437751639.db2.gz MDYQYVHYWFQBCI-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733938006 1437752732 /nfs/dbraw/zinc/75/27/32/1437752732.db2.gz SOWDBXRRJDVZAY-FXAWDEMLSA-N 2 0 345.531 3.331 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733938428 1437754488 /nfs/dbraw/zinc/75/44/88/1437754488.db2.gz PZYOUKLIKYESRH-LJQANCHMSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001733994674 1437789085 /nfs/dbraw/zinc/78/90/85/1437789085.db2.gz UFVLEOKBVOELIQ-IRXDYDNUSA-N 2 0 339.483 3.045 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCC2)CC1 ZINC001734010455 1437801808 /nfs/dbraw/zinc/80/18/08/1437801808.db2.gz CCYNMLOGMWKCKN-JLAWEPINSA-N 2 0 335.536 3.020 10 0 EGAERP CN(C(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCC([NH2+]CCC(C)(C)C)CC1 ZINC001734013024 1437803991 /nfs/dbraw/zinc/80/39/91/1437803991.db2.gz HYJSXHAZGPIIPD-NGICGMGXSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C\Cl ZINC001734079247 1437866744 /nfs/dbraw/zinc/86/67/44/1437866744.db2.gz MPAQYWYKANVLQH-SIJIIQCFSA-N 2 0 343.943 3.076 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCC(C)(C)C)CCCCC2)C1 ZINC001734089759 1437874582 /nfs/dbraw/zinc/87/45/82/1437874582.db2.gz HQGMGYPQCXYHKT-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CCCCC[C@@H]1CNC(=O)CC[NH+](C)C ZINC001734105002 1437890787 /nfs/dbraw/zinc/89/07/87/1437890787.db2.gz YVILLPWMTXGVEZ-LJQANCHMSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734106622 1437892784 /nfs/dbraw/zinc/89/27/84/1437892784.db2.gz RQQLCZIQMDAJFD-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C[C@H]2C1 ZINC001734187806 1437930988 /nfs/dbraw/zinc/93/09/88/1437930988.db2.gz HPMSPIUNPPFDTC-CXLTZZKYSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001734338980 1438059746 /nfs/dbraw/zinc/05/97/46/1438059746.db2.gz JGKOSSSCHWNQIW-PKOBYXMFSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001734394657 1438080405 /nfs/dbraw/zinc/08/04/05/1438080405.db2.gz LJNAHDJSWWXHSN-XLIONFOSSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1=CCCCC1)CC2 ZINC001734441668 1438103635 /nfs/dbraw/zinc/10/36/35/1438103635.db2.gz HIAWMJLNFHATKK-PZJWPPBQSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001734481876 1438127456 /nfs/dbraw/zinc/12/74/56/1438127456.db2.gz MSVDVWMUJAUHLV-RBUKOAKNSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)C12CC[NH+](CC1)C2 ZINC001734554635 1438153565 /nfs/dbraw/zinc/15/35/65/1438153565.db2.gz PEMBZAFDXZLDET-SFHVURJKSA-N 2 0 343.515 3.012 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C(C)(C)C ZINC001734572339 1438165967 /nfs/dbraw/zinc/16/59/67/1438165967.db2.gz YNRPXSQOUIFATL-MNMXQPLXSA-N 2 0 337.552 3.194 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC001734575107 1438168370 /nfs/dbraw/zinc/16/83/70/1438168370.db2.gz GMMLPTWVMLQWTB-QTJNJRLBSA-N 2 0 345.531 3.161 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)c(F)c1 ZINC001734639778 1438198348 /nfs/dbraw/zinc/19/83/48/1438198348.db2.gz CVEKRDSJJNTJQD-FUHWJXTLSA-N 2 0 349.494 3.062 10 0 EGAERP CC[C@H]([NH3+])[C@@H](c1cc(Br)cs1)N(C)CCC[NH+](C)C ZINC000104199360 219359857 /nfs/dbraw/zinc/35/98/57/219359857.db2.gz BGQHIINEBBFIED-JSGCOSHPSA-N 2 0 348.354 3.173 10 0 EGAERP CC[NH+](CC)C[C@@H]1CCN(C(=O)c2cccc(C[NH+]3CCCC3)c2)C1 ZINC000081333711 217383595 /nfs/dbraw/zinc/38/35/95/217383595.db2.gz PLLGOVHWLVYQRQ-IBGZPJMESA-N 2 0 343.515 3.086 10 0 EGAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CC[NH+](C2CCC2)CC1 ZINC000268809736 252261390 /nfs/dbraw/zinc/26/13/90/252261390.db2.gz APHKQWRSUOCPMH-INIZCTEOSA-N 2 0 329.488 3.035 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000104136960 285202121 /nfs/dbraw/zinc/20/21/21/285202121.db2.gz RCDSAGATYQRNEA-FQEVSTJZSA-N 2 0 343.515 3.163 10 0 EGAERP COCCOc1ccc(C[N@@H+]2CC[C@@H]3[C@@H](CCC[NH+]3C3CC3)C2)cc1 ZINC000246842520 141038693 /nfs/dbraw/zinc/03/86/93/141038693.db2.gz RXBRFVGTLHSCES-GHTZIAJQSA-N 2 0 344.499 3.161 10 0 EGAERP C[C@H]([NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCOCC2)C1CC1 ZINC000339488147 141122386 /nfs/dbraw/zinc/12/23/86/141122386.db2.gz MHFLHDCYTXKBQJ-PXNSSMCTSA-N 2 0 328.500 3.303 10 0 EGAERP CCCO[C@@H]1CCC[N@H+](Cc2cn(-c3cc[nH+]cc3)nc2C)CC1 ZINC000346200366 141179213 /nfs/dbraw/zinc/17/92/13/141179213.db2.gz MJHMGLAGTOIGTO-LJQANCHMSA-N 2 0 328.460 3.357 10 0 EGAERP C[NH+]1CCC(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)CC1 ZINC000346874888 141209314 /nfs/dbraw/zinc/20/93/14/141209314.db2.gz IHFWOVYDFHPJDN-UHFFFAOYSA-N 2 0 343.515 3.021 10 0 EGAERP CCO[C@H](C[NH2+]C1CCN(Cc2cccnc2)CC1)c1ccccc1 ZINC000193428395 153290601 /nfs/dbraw/zinc/29/06/01/153290601.db2.gz LRUFLYVDTUNJIS-OAQYLSRUSA-N 2 0 339.483 3.413 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@@H](C)c3ccccc3F)cn2)CC1 ZINC000112529202 162180240 /nfs/dbraw/zinc/18/02/40/162180240.db2.gz GJLXJOXEBSCJLK-INIZCTEOSA-N 2 0 342.462 3.213 10 0 EGAERP Cc1ccncc1C[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000354134134 165972793 /nfs/dbraw/zinc/97/27/93/165972793.db2.gz OOKUVSYFUIGQIC-UHFFFAOYSA-N 2 0 338.499 3.082 10 0 EGAERP c1ccc(CN2CC[NH+](CCCC[NH2+][C@H]3CCCSC3)CC2)cc1 ZINC000131185046 162394117 /nfs/dbraw/zinc/39/41/17/162394117.db2.gz NNHFBWOBHRQVTP-FQEVSTJZSA-N 2 0 347.572 3.070 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCO1)[C@H]1CCCO1 ZINC000248620128 163022488 /nfs/dbraw/zinc/02/24/88/163022488.db2.gz SSKIZCFWTPNBQB-WOUAJJJCSA-N 2 0 332.488 3.001 10 0 EGAERP Cc1ccncc1N1CCN(Cc2c[nH]nc2-c2ccsc2)CC1 ZINC000343646389 164002220 /nfs/dbraw/zinc/00/22/20/164002220.db2.gz ZJLBMKQSBIKHDC-UHFFFAOYSA-N 2 0 339.468 3.164 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2-c2ccnn2C)[C@@H](C)C1 ZINC000351659022 165118983 /nfs/dbraw/zinc/11/89/83/165118983.db2.gz NYYMTTGDFPYJNN-LPHOPBHVSA-N 2 0 326.488 3.249 10 0 EGAERP CC(C)(C)OC(=O)C1CCC([NH2+]C2CC([NH+]3CCCCC3)C2)CC1 ZINC000366277695 168101445 /nfs/dbraw/zinc/10/14/45/168101445.db2.gz CIQLTNHWOWIXCV-UHFFFAOYSA-N 2 0 336.520 3.493 10 0 EGAERP COC(=O)c1ccc(-c2ccc(C[NH2+]CCCC[NH+](C)C)o2)cc1 ZINC000274855922 267297135 /nfs/dbraw/zinc/29/71/35/267297135.db2.gz QOGJRMDAGMRZBN-UHFFFAOYSA-N 2 0 330.428 3.165 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+][C@@H]1CC[N@H+](C)[C@@H]2CCC[C@H]21 ZINC000353458614 276110910 /nfs/dbraw/zinc/11/09/10/276110910.db2.gz CYPLKNHOWMPCPB-PWRODBHTSA-N 3 0 329.532 3.491 10 0 EGAERP C[C@@H]([NH2+]C1CCN(C2CC[NH+](C)CC2)CC1)C1CCC(F)(F)CC1 ZINC000353311898 277615271 /nfs/dbraw/zinc/61/52/71/277615271.db2.gz HRMVAHFNSBBABY-OAHLLOKOSA-N 2 0 343.506 3.349 10 0 EGAERP COc1cccc([C@@H]2[C@@H](NCC[C@H]3CCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000338634253 278020811 /nfs/dbraw/zinc/02/08/11/278020811.db2.gz UZVWZGVPPVQVFG-JRGCBEDISA-N 2 0 343.515 3.047 10 0 EGAERP CC[NH+]1CCC(NC(=O)C[N@@H+]2CCC[C@H]2c2ccc(C)c(C)c2)CC1 ZINC000064517663 307357189 /nfs/dbraw/zinc/35/71/89/307357189.db2.gz MQKYTPWQPOFOKY-FQEVSTJZSA-N 2 0 343.515 3.041 10 0 EGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@@H](C)c1ccc(F)c2ccccc21 ZINC000293716072 308155551 /nfs/dbraw/zinc/15/55/51/308155551.db2.gz MFJICLMHCSFBFH-HOTGVXAUSA-N 2 0 329.463 3.265 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H](CO)[C@@H]2CCCOC2)CC1 ZINC000414555089 309088710 /nfs/dbraw/zinc/08/87/10/309088710.db2.gz LYNXEIUVTWXXFI-AEFFLSMTSA-N 2 0 340.552 3.043 10 0 EGAERP COCC[C@@H](Cc1cccc(F)c1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297484492 308538594 /nfs/dbraw/zinc/53/85/94/308538594.db2.gz JZXNIFUILUXDIG-SFHVURJKSA-N 2 0 327.403 3.211 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)c1ccccc1CC[NH3+])c1ccccc1 ZINC000327205416 308771298 /nfs/dbraw/zinc/77/12/98/308771298.db2.gz GFGFCKCSFHGNQD-HXUWFJFHSA-N 2 0 339.483 3.001 10 0 EGAERP Cc1ccc([C@H](C)[NH2+]CC2(O)CC[NH+](Cc3ccccc3)CC2)o1 ZINC000397603713 308904628 /nfs/dbraw/zinc/90/46/28/308904628.db2.gz OXGKSSJYZRGOFQ-KRWDZBQOSA-N 2 0 328.456 3.266 10 0 EGAERP Fc1ccc(Br)c(F)c1C[NH2+]CC[C@H]1CCC[NH2+]C1 ZINC000414850637 309105411 /nfs/dbraw/zinc/10/54/11/309105411.db2.gz ZNTVLOQKOHKKIO-SNVBAGLBSA-N 2 0 333.220 3.207 10 0 EGAERP C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000414865616 309106348 /nfs/dbraw/zinc/10/63/48/309106348.db2.gz ZHHCWZLLMOOVTF-HHXCZETCSA-N 2 0 327.516 3.160 10 0 EGAERP [NH3+]CCN(CCO)Cc1ccc(-c2ccc(C(F)(F)F)cc2)s1 ZINC000414909799 309108582 /nfs/dbraw/zinc/10/85/82/309108582.db2.gz GQSHULGLRUBHPS-UHFFFAOYSA-N 2 0 344.402 3.187 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@H]2[C@H]2CCC[NH2+]2)C1 ZINC000415085352 309119384 /nfs/dbraw/zinc/11/93/84/309119384.db2.gz PZEKCNQIMFDSCK-LBTBCDHLSA-N 2 0 335.442 3.054 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCC[N@@H+]1CCCC[C@@H]1CC ZINC000415952635 309150832 /nfs/dbraw/zinc/15/08/32/309150832.db2.gz JXYPHFTZQNYXEU-KRWDZBQOSA-N 2 0 332.492 3.182 10 0 EGAERP [NH3+]Cc1ccc(NC(=O)N2CCC[C@@H](C[NH+]3CCCCCC3)C2)cc1 ZINC000415968581 309151970 /nfs/dbraw/zinc/15/19/70/309151970.db2.gz CLFKQORVOXDKAH-SFHVURJKSA-N 2 0 344.503 3.265 10 0 EGAERP c1csc(-c2noc(CCC[N@@H+]3CCCC[C@@H]3[C@@H]3CC[NH2+]C3)n2)c1 ZINC000420394422 309286074 /nfs/dbraw/zinc/28/60/74/309286074.db2.gz KMDKNLCBOXIWKU-HUUCEWRRSA-N 2 0 346.500 3.195 10 0 EGAERP COc1cccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCCC[NH2+]3)C2)c1 ZINC000422703097 309363852 /nfs/dbraw/zinc/36/38/52/309363852.db2.gz HAMVHYOADVYECS-LLUDDFSJSA-N 2 0 343.515 3.174 10 0 EGAERP c1cc2c(s1)CCN(CC[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1)C2 ZINC000422730441 309365484 /nfs/dbraw/zinc/36/54/84/309365484.db2.gz FAELMWNIPIXLNE-OKZBNKHCSA-N 2 0 333.545 3.007 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+][C@H](C)COc1ccc(F)cc1F ZINC000422757173 309366775 /nfs/dbraw/zinc/36/67/75/309366775.db2.gz IFPJIIVCNSSNOH-VXGBXAGGSA-N 2 0 335.398 3.245 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]C[C@@H](C)COCc1ccccc1 ZINC000422757147 309366893 /nfs/dbraw/zinc/36/68/93/309366893.db2.gz IFFPXAYFENPQFO-CVEARBPZSA-N 2 0 327.472 3.352 10 0 EGAERP C[C@H]([NH2+]CC1CC[NH+](Cc2cccs2)CC1)c1cnccc1N ZINC000422827488 309370541 /nfs/dbraw/zinc/37/05/41/309370541.db2.gz NBEVKQQSLDXLTD-AWEZNQCLSA-N 2 0 330.501 3.118 10 0 EGAERP c1cc(N2CCCCC2)ncc1C[NH2+][C@@H]1CCC[C@H]1[C@@H]1CCCC[NH2+]1 ZINC000422875483 309373309 /nfs/dbraw/zinc/37/33/09/309373309.db2.gz CTTPEUJOSIZOEF-SLFFLAALSA-N 2 0 342.531 3.472 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]C1(c2cccc(Br)c2)CCC1 ZINC000422937293 309377067 /nfs/dbraw/zinc/37/70/67/309377067.db2.gz JJDCNIQQMXXXTF-HNNXBMFYSA-N 2 0 341.293 3.172 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]Cc1cccc(OCC(F)F)c1 ZINC000422940261 309377132 /nfs/dbraw/zinc/37/71/32/309377132.db2.gz GQVHQWHUGFMROP-GFCCVEGCSA-N 2 0 335.398 3.343 10 0 EGAERP C[C@H]([NH3+])[C@H]1COCC[C@@H]1[NH2+]Cc1ccccc1OCc1ccccc1 ZINC000422937619 309377191 /nfs/dbraw/zinc/37/71/91/309377191.db2.gz OKJKLIQQFWNYOO-DBVUQKKJSA-N 2 0 340.467 3.108 10 0 EGAERP C[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CCCC[NH2+]1 ZINC000422956028 309378118 /nfs/dbraw/zinc/37/81/18/309378118.db2.gz OEWCBSGSAAVYGR-WWNBULGVSA-N 2 0 331.504 3.238 10 0 EGAERP CC[C@H](Nc1cccc(C[NH+]2C[C@@H](C)O[C@H](C)C2)c1)[C@@H]1CCC[NH2+]1 ZINC000422957463 309378120 /nfs/dbraw/zinc/37/81/20/309378120.db2.gz UGJXWFDHJHRMPH-YKCBXCCJSA-N 2 0 331.504 3.238 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC(C)(C)c1ccc(C(F)(F)F)cc1 ZINC000423070428 309384317 /nfs/dbraw/zinc/38/43/17/309384317.db2.gz NHBJSANFKLXDAW-HNNXBMFYSA-N 2 0 332.410 3.327 10 0 EGAERP COc1ccc(CC[NH2+]C2CCC(C[NH3+])CC2)c(Cl)c1OC ZINC000423129130 309387501 /nfs/dbraw/zinc/38/75/01/309387501.db2.gz DSKXGFTVUBWBNS-UHFFFAOYSA-N 2 0 326.868 3.007 10 0 EGAERP Fc1ccc(N2CC[C@H]([NH2+][C@@H]3CCC[C@H]3[C@H]3CCCC[NH2+]3)C2)cc1 ZINC000423192367 309389979 /nfs/dbraw/zinc/38/99/79/309389979.db2.gz UQWBZJJZOJZDFV-IJXRJRJASA-N 2 0 331.479 3.305 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C[NH2+][C@@H](C)CC(=O)N(C)c2ccccc2)cc1 ZINC000423293638 309394236 /nfs/dbraw/zinc/39/42/36/309394236.db2.gz RUTIOFHACSIDQR-JKSUJKDBSA-N 2 0 325.456 3.238 10 0 EGAERP CC1(C[NH2+][C@H]2CCc3cccc(Br)c3C2)CC[NH2+]CC1 ZINC000423318094 309394908 /nfs/dbraw/zinc/39/49/08/309394908.db2.gz CBDGFOBVDJYTSI-AWEZNQCLSA-N 2 0 337.305 3.286 10 0 EGAERP C[C@@H](C[NH2+]Cc1cc(C2CC[NH2+]CC2)no1)COCc1ccccc1 ZINC000425901818 309494280 /nfs/dbraw/zinc/49/42/80/309494280.db2.gz QPAKNUBPDMGSLA-INIZCTEOSA-N 2 0 343.471 3.084 10 0 EGAERP C[C@@H](C[NH2+]Cc1cc(Cl)sc1Cl)CN1CC[NH+](C)CC1 ZINC000449130521 310039167 /nfs/dbraw/zinc/03/91/67/310039167.db2.gz GWUHSFIYLPUXHA-NSHDSACASA-N 2 0 336.332 3.028 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](C)[C@@H]2CCCOC2)CC1 ZINC000449229879 310046181 /nfs/dbraw/zinc/04/61/81/310046181.db2.gz FTFUFFFXKPDMAG-CMKODMSKSA-N 2 0 330.516 3.487 10 0 EGAERP C[S@](=O)C1(C[NH2+]C2CC[NH+](C(C)(C)CC(C)(C)C)CC2)CC1 ZINC000449299963 310051502 /nfs/dbraw/zinc/05/15/02/310051502.db2.gz BWDSLTNIZUXTDG-QFIPXVFZSA-N 2 0 328.566 3.166 10 0 EGAERP c1ccc(C[N@H+]2C[C@H]3CCC[C@@H]([NH2+]CC4=CCOCC4)[C@@H]3C2)cc1 ZINC000449403271 310059106 /nfs/dbraw/zinc/05/91/06/310059106.db2.gz PGNFHJYSQKTALE-NJDAHSKKSA-N 2 0 326.484 3.223 10 0 EGAERP C[C@H]1CCC[C@@H]([NH+]2CCC([NH2+]CC3(CF)CCOCC3)CC2)C1 ZINC000449490180 310066295 /nfs/dbraw/zinc/06/62/95/310066295.db2.gz WJXIEQUYDNZJDV-FUHWJXTLSA-N 2 0 326.500 3.385 10 0 EGAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000449853655 310090765 /nfs/dbraw/zinc/09/07/65/310090765.db2.gz WGAUWUQZIHNCGC-VQTJNVASSA-N 2 0 347.547 3.260 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CC[NH+](CC/C=C/c2ccccc2)CC1 ZINC000450396577 310120099 /nfs/dbraw/zinc/12/00/99/310120099.db2.gz WEUNEKWQJCGCGS-AWGFCZPBSA-N 2 0 327.516 3.192 10 0 EGAERP CC[NH+](CC)Cc1ccc(C[NH2+][C@@H](C)C2(OC)CCOCC2)cc1 ZINC000453068618 310255725 /nfs/dbraw/zinc/25/57/25/310255725.db2.gz ASRRRENGXCLXRN-KRWDZBQOSA-N 2 0 334.504 3.202 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@@H]3CCCC[C@@H]3[C@H]3CCOC3)CC2)cc[nH+]1 ZINC000474040180 310784199 /nfs/dbraw/zinc/78/41/99/310784199.db2.gz ZLZRWVRQXQGQMG-CEWLAPEOSA-N 2 0 343.515 3.483 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH+]2CCCCC2)CCCCC1 ZINC000517477041 312380080 /nfs/dbraw/zinc/38/00/80/312380080.db2.gz YLXAKDBUYAAJLD-SFHVURJKSA-N 2 0 335.536 3.166 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@@H]1CO)C1CC(F)(F)C1 ZINC000529544999 313351730 /nfs/dbraw/zinc/35/17/30/313351730.db2.gz YMUFENWYBITDJK-RDTXWAMCSA-N 2 0 338.442 3.167 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]Cc1cc(F)c(Br)cc1F ZINC000530225467 313500532 /nfs/dbraw/zinc/50/05/32/313500532.db2.gz ZXEZFMYVRZDZML-LKFCYVNXSA-N 2 0 333.220 3.334 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538062765 314225459 /nfs/dbraw/zinc/22/54/59/314225459.db2.gz OHSLDSBDNQRUJD-OXJNMPFZSA-N 2 0 333.495 3.201 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)CC1 ZINC000552249716 315209090 /nfs/dbraw/zinc/20/90/90/315209090.db2.gz IJYIYHBMCLPXLZ-IPMKNSEASA-N 2 0 343.515 3.126 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)[C@H]2CCC[C@@H]21 ZINC000552248554 315209294 /nfs/dbraw/zinc/20/92/94/315209294.db2.gz KXWQWHCMZIYZCP-KNCCTNLNSA-N 2 0 335.442 3.006 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000563449627 316023831 /nfs/dbraw/zinc/02/38/31/316023831.db2.gz XKRIYJOTYGDRCS-INIZCTEOSA-N 2 0 332.492 3.038 10 0 EGAERP C[C@@H]1CN(Cc2ccc3c(c2)C[NH2+]CC3)C[C@H](c2ccc(F)cc2)O1 ZINC000565093688 316263636 /nfs/dbraw/zinc/26/36/36/316263636.db2.gz OQYHYMWWEQEVSL-QVKFZJNVSA-N 2 0 340.442 3.433 10 0 EGAERP CC1CC[NH+](C[C@H]2CCCN(Cc3ccc4c(c3)C[NH2+]CC4)C2)CC1 ZINC000565098482 316265015 /nfs/dbraw/zinc/26/50/15/316265015.db2.gz KGNVYGOSQNQAGR-HXUWFJFHSA-N 2 0 341.543 3.276 10 0 EGAERP C[C@@H](Cc1cnn(C)c1)[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000565362501 316314525 /nfs/dbraw/zinc/31/45/25/316314525.db2.gz FSFVUIHVFZTUDV-FXAWDEMLSA-N 2 0 338.499 3.138 10 0 EGAERP C[C@@H](Cc1ccccc1)C[NH+]1CCC(CC[NH+]2CCOCC2)CC1 ZINC000572762313 317387719 /nfs/dbraw/zinc/38/77/19/317387719.db2.gz GDJBKDJYTUHAQC-IBGZPJMESA-N 2 0 330.516 3.300 10 0 EGAERP C[C@H]1C[C@@H]1c1ccc(C[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)o1 ZINC000174581959 323308217 /nfs/dbraw/zinc/30/82/17/323308217.db2.gz NOYQHGJZCBCHDQ-HKUYNNGSSA-N 2 0 345.531 3.443 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)[C@@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581012017 325320641 /nfs/dbraw/zinc/32/06/41/325320641.db2.gz OILAZEOATOFCIJ-RDTXWAMCSA-N 2 0 335.879 3.051 10 0 EGAERP CC(C)(C)C[NH+](CC(=O)NC1CC[NH+](C2CC2)CC1)CC(C)(C)C ZINC000581683922 325382702 /nfs/dbraw/zinc/38/27/02/325382702.db2.gz MXYSOSRLODGBMY-UHFFFAOYSA-N 2 0 337.552 3.124 10 0 EGAERP c1csc(CC2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)n1 ZINC000631836968 460577384 /nfs/dbraw/zinc/57/73/84/460577384.db2.gz KQTWMFZEBSAZAS-UHFFFAOYSA-N 2 0 327.497 3.244 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523027 454064211 /nfs/dbraw/zinc/06/42/11/454064211.db2.gz GGJNMPUXSXENKL-IBGZPJMESA-N 2 0 348.531 3.213 10 0 EGAERP C[C@@H]1CCC[C@H](CC[NH+]2CCN(C3C[C@H]4CC[C@@H](C3)[N@H+]4C)CC2)C1 ZINC000246032973 455415679 /nfs/dbraw/zinc/41/56/79/455415679.db2.gz WFLSFSKFAWSXLR-APISQKPESA-N 2 0 333.564 3.446 10 0 EGAERP COc1ccc(C[NH2+]CC2CC[NH+](C[C@@H](C)O)CC2)c2ccccc12 ZINC000069848527 454152515 /nfs/dbraw/zinc/15/25/15/454152515.db2.gz CYLBZKUWRVGLAG-MRXNPFEDSA-N 2 0 342.483 3.031 10 0 EGAERP C[C@@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H]2CCCc3ccc(F)cc32)CC1 ZINC000132593023 454351342 /nfs/dbraw/zinc/35/13/42/454351342.db2.gz AFPVNCVCVIVGRR-FOIQADDNSA-N 2 0 334.479 3.228 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(N[C@@H]3CC[NH+]4CCC[C@@H]4C3)c2)C[C@H](C)O1 ZINC000097038057 454394273 /nfs/dbraw/zinc/39/42/73/454394273.db2.gz IJZVBBKVHFPZOA-HRQSHJORSA-N 2 0 343.515 3.335 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2sc(CCOC)nc2C)CC1 ZINC000092746220 454623343 /nfs/dbraw/zinc/62/33/43/454623343.db2.gz ZGZLASLRUFPHDI-AWEZNQCLSA-N 2 0 339.549 3.413 10 0 EGAERP C[C@H]1C[C@@H]([N@H+](C)CCC(=O)Nc2ccc(Cl)cc2F)CCN1C ZINC000123330460 454625668 /nfs/dbraw/zinc/62/56/68/454625668.db2.gz IPYFOXMBTKSSAH-JSGCOSHPSA-N 2 0 341.858 3.222 10 0 EGAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000635001179 460647081 /nfs/dbraw/zinc/64/70/81/460647081.db2.gz JHDDTKUHUHJRFB-TXMMNTKWSA-N 2 0 347.300 3.065 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2[C@H]2CCC[N@@H+]2CC)o1 ZINC000106779552 454718210 /nfs/dbraw/zinc/71/82/10/454718210.db2.gz VRLUEJMYORVAPX-QZTJIDSGSA-N 2 0 347.503 3.210 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)CCCO2 ZINC000124450325 454734272 /nfs/dbraw/zinc/73/42/72/454734272.db2.gz ZBBMQCGGFSXMIM-FQEVSTJZSA-N 2 0 345.531 3.072 10 0 EGAERP CCC[C@@H](C(=O)N(CC)C[C@@H]1CC[N@H+](Cc2ccccc2)C1)[NH+](C)C ZINC000162370511 454770660 /nfs/dbraw/zinc/77/06/60/454770660.db2.gz OVSKHBACKXAWAN-UXHICEINSA-N 2 0 345.531 3.087 10 0 EGAERP Cc1nccn1CCC[NH+]1CCC(C(=O)c2ccc(C)cc2)CC1 ZINC000124975870 454787229 /nfs/dbraw/zinc/78/72/29/454787229.db2.gz AGUYHNZWBOMNCR-UHFFFAOYSA-N 2 0 325.456 3.485 10 0 EGAERP C([NH+]1C[C@H]2CCCC[C@@H]2C1)C1(C[N@H+]2C[C@@H]3CCCC[C@@H]3C2)COC1 ZINC000182219979 455465197 /nfs/dbraw/zinc/46/51/97/455465197.db2.gz KQQJUBWPYMADRW-WTGUMLROSA-N 2 0 332.532 3.247 10 0 EGAERP Cc1nc(C(C)C)sc1[C@@H](C)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000151264271 454960520 /nfs/dbraw/zinc/96/05/20/454960520.db2.gz PDFMJEXARJJRPU-UKRRQHHQSA-N 2 0 325.522 3.072 10 0 EGAERP C[N@@H+]1CCCN(CCC[NH2+][C@@H](c2ccc(Cl)cc2)C2CC2)CC1 ZINC000180097069 455132143 /nfs/dbraw/zinc/13/21/43/455132143.db2.gz AGVGHBLLDJYRAD-LJQANCHMSA-N 2 0 335.923 3.408 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NC[C@@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000180107313 455132706 /nfs/dbraw/zinc/13/27/06/455132706.db2.gz SRDOTJUQADLQDH-SWSHNKPGSA-N 2 0 339.527 3.256 10 0 EGAERP Cc1n[nH]cc1CCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000180106846 455133079 /nfs/dbraw/zinc/13/30/79/455133079.db2.gz XIMQIMPZMACSNT-SEJPIABJSA-N 2 0 338.499 3.436 10 0 EGAERP C[C@@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000180160487 455141874 /nfs/dbraw/zinc/14/18/74/455141874.db2.gz IQBNEOWUVRWBKG-SLOSICTCSA-N 2 0 339.527 3.397 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2CC(NCCC[NH+]2CCCC2)C3)cc1 ZINC000180173424 455144367 /nfs/dbraw/zinc/14/43/67/455144367.db2.gz WQRFWJYYXZJCOT-SEJPIABJSA-N 2 0 327.516 3.258 10 0 EGAERP Cc1cccc(NC[C@H]2CC[N@H+](CCOCC(F)(F)C(F)F)C2)[nH+]1 ZINC000189367793 455185947 /nfs/dbraw/zinc/18/59/47/455185947.db2.gz HWZSPLXRCZKOLA-CYBMUJFWSA-N 2 0 349.372 3.041 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@H]2CC[NH+](C4CC4)C2)C3)cc1 ZINC000245746811 455371359 /nfs/dbraw/zinc/37/13/59/455371359.db2.gz SRDOTJUQADLQDH-KRXUUXHPSA-N 2 0 339.527 3.256 10 0 EGAERP C[N@@H+]1CCC[C@@H]2CN(Cc3cc(Cl)cc4c3OCOC4)CC[C@H]21 ZINC000248179562 455695202 /nfs/dbraw/zinc/69/52/02/455695202.db2.gz WEBFWCSMOSKKQR-CXAGYDPISA-N 2 0 336.863 3.123 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H]1CSCCS1 ZINC000268890302 455720556 /nfs/dbraw/zinc/72/05/56/455720556.db2.gz ACPPJINORRMKGF-NXHRZFHOSA-N 2 0 336.570 3.335 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)c1cccs1 ZINC000269052874 455776882 /nfs/dbraw/zinc/77/68/82/455776882.db2.gz RNXKPUALALHIOC-KPFFTGBYSA-N 2 0 344.524 3.456 10 0 EGAERP CCn1nccc1CC[N@@H+]1CC[C@@]2(CC[NH+](Cc3ccccc3)C2)C1 ZINC000285467241 455851140 /nfs/dbraw/zinc/85/11/40/455851140.db2.gz HGBSRLZPEIMSJS-OAQYLSRUSA-N 2 0 338.499 3.044 10 0 EGAERP Cc1ccncc1C[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000280658313 456025214 /nfs/dbraw/zinc/02/52/14/456025214.db2.gz BKWOWEKKMZBAGO-INIZCTEOSA-N 2 0 342.462 3.132 10 0 EGAERP CCn1cc([C@H](C)[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)cn1 ZINC000273190113 456207513 /nfs/dbraw/zinc/20/75/13/456207513.db2.gz GPVTVYMDMSJMIV-BVPXEZJJSA-N 2 0 338.499 3.464 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N3CC[NH+](C4CCCCC4)CC3)C2)cc1 ZINC000271304136 456213689 /nfs/dbraw/zinc/21/36/89/456213689.db2.gz TVTBWMZUOHFQHC-NRFANRHFSA-N 2 0 327.516 3.211 10 0 EGAERP CCN(C(=O)c1ccc(C[NH3+])o1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000237035078 456222597 /nfs/dbraw/zinc/22/25/97/456222597.db2.gz KKELGEQTHKQHAZ-DOTOQJQBSA-N 2 0 341.455 3.036 10 0 EGAERP C[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccc(F)cc1 ZINC000275731285 456299242 /nfs/dbraw/zinc/29/92/42/456299242.db2.gz PHPGZXGOUGDYDY-XLIONFOSSA-N 2 0 333.495 3.031 10 0 EGAERP CC1=C[C@H](C)C[C@H](C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000352832219 456345986 /nfs/dbraw/zinc/34/59/86/456345986.db2.gz FESWRPDZCRLHBL-MDKPJZGXSA-N 2 0 328.500 3.335 10 0 EGAERP c1ccc(C[N@H+]2C[C@H](C[NH2+][C@@H]3CCSC3)C3(C2)CCOCC3)cc1 ZINC000340464600 456475377 /nfs/dbraw/zinc/47/53/77/456475377.db2.gz GQWCEZXHNRFCLZ-RBUKOAKNSA-N 2 0 346.540 3.010 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[N@@H+]2CCC[C@H](C)C2)cc1 ZINC000340470087 456479186 /nfs/dbraw/zinc/47/91/86/456479186.db2.gz ZKVBYRWSUIJPJW-PXNSSMCTSA-N 2 0 341.503 3.078 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1 ZINC000657825586 462285830 /nfs/dbraw/zinc/28/58/30/462285830.db2.gz ZFKCSRSLDCLVSX-OAQYLSRUSA-N 2 0 346.515 3.204 10 0 EGAERP Cn1nccc1-c1ccccc1C[NH2+]CC(C)(C)C[NH+]1CCCC1 ZINC000353170423 456538407 /nfs/dbraw/zinc/53/84/07/456538407.db2.gz HDPMIXLJHAIMQE-UHFFFAOYSA-N 2 0 326.488 3.299 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199451 456734831 /nfs/dbraw/zinc/73/48/31/456734831.db2.gz LGAVMFXACUJPQP-KFKAGJAMSA-N 2 0 330.472 3.100 10 0 EGAERP Cc1nnc(CC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)s1 ZINC000353570481 456769470 /nfs/dbraw/zinc/76/94/70/456769470.db2.gz SXOHPMQBXDVLER-AYHJJNSGSA-N 2 0 342.512 3.174 10 0 EGAERP CC(=O)NC1CCC([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)CC1 ZINC000348758092 456843989 /nfs/dbraw/zinc/84/39/89/456843989.db2.gz YHQFMRMNGBADGN-ZPQVWODMSA-N 2 0 335.536 3.066 10 0 EGAERP COc1cccc([C@@H]2[C@@H](NCC[C@@H]3CCC[NH+]3C)CC[N@@H+]2C2CC2)c1 ZINC000338634251 456846253 /nfs/dbraw/zinc/84/62/53/456846253.db2.gz UZVWZGVPPVQVFG-DZFGPLHGSA-N 2 0 343.515 3.047 10 0 EGAERP Cc1cc(C)c(NC(=O)CCC[NH+]2CC[C@]3(CC[N@@H+](C)C3)C2)c(C)c1 ZINC000292151621 456869319 /nfs/dbraw/zinc/86/93/19/456869319.db2.gz NNRCYKXSXKPZTO-NRFANRHFSA-N 2 0 343.515 3.358 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+]CC[C@H](O)C(F)(F)F ZINC000349314260 456939255 /nfs/dbraw/zinc/93/92/55/456939255.db2.gz IHEHQTLBACKDAM-HNNXBMFYSA-N 2 0 332.410 3.048 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCS[C@H]2CCCC[C@H]21 ZINC000346169688 457020889 /nfs/dbraw/zinc/02/08/89/457020889.db2.gz MOLKUWNSUBDKJI-MSOLQXFVSA-N 2 0 328.485 3.436 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)CCC2 ZINC000347201098 457285087 /nfs/dbraw/zinc/28/50/87/457285087.db2.gz DXLNGWYGLUMVBV-PMACEKPBSA-N 2 0 345.531 3.055 10 0 EGAERP C[C@@H]1C[C@H](C)[N@H+](CCCc2nc(-c3cccs3)no2)C[C@H]1C[NH3+] ZINC000397340081 457486797 /nfs/dbraw/zinc/48/67/97/457486797.db2.gz VIXOZUJHURYMGF-HZSPNIEDSA-N 2 0 334.489 3.036 10 0 EGAERP CS[C@H]1CC[C@H]1[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000425349720 457510514 /nfs/dbraw/zinc/51/05/14/457510514.db2.gz LCZWJNXWPDOGTE-MOPGFXCFSA-N 2 0 333.545 3.072 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(N3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000365667957 457769145 /nfs/dbraw/zinc/76/91/45/457769145.db2.gz OXWFPFYOADISMX-UYAOXDASSA-N 2 0 333.564 3.469 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@H]2CCC[C@@H]21 ZINC000367616059 457967619 /nfs/dbraw/zinc/96/76/19/457967619.db2.gz NDVUILIIBSPADU-ZRNYENFQSA-N 2 0 330.516 3.251 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)c(C)o1 ZINC000375724123 458038075 /nfs/dbraw/zinc/03/80/75/458038075.db2.gz JLKBBTNCECFGEE-QGZVFWFLSA-N 2 0 333.520 3.497 10 0 EGAERP Cc1oc2ccccc2c1C(=O)N(CCC[NH+](C)C)CCC[NH+](C)C ZINC000362295694 458088235 /nfs/dbraw/zinc/08/82/35/458088235.db2.gz DNKZHZPOFNJJBL-UHFFFAOYSA-N 2 0 345.487 3.087 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCOCCOCc2ccccc2)[C@@H]2CCC[C@H]21 ZINC000375894318 458112237 /nfs/dbraw/zinc/11/22/37/458112237.db2.gz DJLMMOCTLACLEK-PCCBWWKXSA-N 2 0 346.515 3.072 10 0 EGAERP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccccc1 ZINC000428849293 458222223 /nfs/dbraw/zinc/22/22/23/458222223.db2.gz KCIFGVBUVJOPRQ-QGZVFWFLSA-N 2 0 343.515 3.201 10 0 EGAERP C[C@H]1C[NH+](Cc2cccc(NC3CC[NH+](C4CC4)CC3)c2)C[C@H](C)O1 ZINC000459349300 458339715 /nfs/dbraw/zinc/33/97/15/458339715.db2.gz AXZKQQSGCGOJPG-IRXDYDNUSA-N 2 0 343.515 3.335 10 0 EGAERP C[C@H]1CCC[N@H+](CCCC[NH2+]Cc2ccnn2-c2ccccc2)C1 ZINC000447935640 458368482 /nfs/dbraw/zinc/36/84/82/458368482.db2.gz IMJUPHOAZZQSFL-SFHVURJKSA-N 2 0 326.488 3.474 10 0 EGAERP FC1(F)CC[NH2+]C[C@@H]1N[C@@H]1CC[N@H+](Cc2ccccc2)[C@H]2CCC[C@@H]21 ZINC000423483575 458440711 /nfs/dbraw/zinc/44/07/11/458440711.db2.gz QHCLKYXHVGRKNF-YRXWBPOGSA-N 2 0 349.469 3.016 10 0 EGAERP COc1ccccc1C[C@H](C)[NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3 ZINC000423522334 458451165 /nfs/dbraw/zinc/45/11/65/458451165.db2.gz HBGFRAUZCVHFNF-CZGNGVECSA-N 2 0 328.500 3.369 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H]1CC[C@@H](c2ccccc2)C1)C(=O)NCC[NH+](C)C ZINC000437788504 458494028 /nfs/dbraw/zinc/49/40/28/458494028.db2.gz UAMHRBCHNDJSAA-AQNXPRMDSA-N 2 0 345.531 3.005 10 0 EGAERP Cc1nc(C(F)(F)F)c(C[N@H+]2CC3(C[C@H]2C)CC[NH2+]CC3)s1 ZINC000424286524 458604293 /nfs/dbraw/zinc/60/42/93/458604293.db2.gz HCYDHPFOKJFUAL-SNVBAGLBSA-N 2 0 333.423 3.434 10 0 EGAERP CO[C@H]1C[C@H]2C[C@H]([NH2+]CC3CCN(c4cc[nH+]cc4)CC3)C[C@H]2C1 ZINC000424307287 458612092 /nfs/dbraw/zinc/61/20/92/458612092.db2.gz XHWBFTTVDYVUMT-XGPVDZAGSA-N 2 0 329.488 3.091 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@H]([C@@H]3CCOC3)C2)c1 ZINC000462791717 458655308 /nfs/dbraw/zinc/65/53/08/458655308.db2.gz LYXHISJITRNEOY-XUVXKRRUSA-N 2 0 346.515 3.312 10 0 EGAERP C[C@H](CCc1ccc(Cl)s1)[NH2+][C@@H](C)CCN1CC[NH+](C)CC1 ZINC000471595670 458702185 /nfs/dbraw/zinc/70/21/85/458702185.db2.gz UVDHMBFDVPXOFJ-CABCVRRESA-N 2 0 343.968 3.338 10 0 EGAERP CC1=CCN(CC[NH2+][C@@H](C)[C@H]2CC[N@H+](Cc3ccccc3)C2)CC1 ZINC000548158595 458846761 /nfs/dbraw/zinc/84/67/61/458846761.db2.gz QHBRFIOOOXUVID-FPOVZHCZSA-N 2 0 327.516 3.139 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCC(=O)N(C)c2ccccc2)CC1 ZINC000441149090 458892357 /nfs/dbraw/zinc/89/23/57/458892357.db2.gz VCGYHMSZHDPOOP-UHFFFAOYSA-N 2 0 331.504 3.093 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)C[C@@H]2C)CC1 ZINC000566949535 459024880 /nfs/dbraw/zinc/02/48/80/459024880.db2.gz FYMQJOIFTJAYMB-GHTZIAJQSA-N 3 0 329.532 3.219 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2ccc3c(c2)CCC(=O)N3)CC1 ZINC000532236108 459052509 /nfs/dbraw/zinc/05/25/09/459052509.db2.gz SXZMDPQSYNVTIP-HNNXBMFYSA-N 2 0 329.488 3.344 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]C[C@](C)(O)C2CCCCC2)[C@H](C)C1 ZINC000477856987 459064179 /nfs/dbraw/zinc/06/41/79/459064179.db2.gz FTSWFSHDXZEHCK-HOJAQTOUSA-N 2 0 340.552 3.044 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH+]2CCC(C)(C[NH+]3CCN(C)CC3)CC2)C1 ZINC000521322575 459140972 /nfs/dbraw/zinc/14/09/72/459140972.db2.gz XZULLXCHRAYHTF-UYAOXDASSA-N 2 0 333.564 3.328 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000560144958 459304653 /nfs/dbraw/zinc/30/46/53/459304653.db2.gz GDPKTJYEHAKPEO-PZJWPPBQSA-N 2 0 343.559 3.402 10 0 EGAERP CC[N@@H+]1CC[C@H](Nc2cccc(C[NH+]3C[C@H](C)O[C@@H](C)C3)c2)[C@@H](C)C1 ZINC000540787546 459387421 /nfs/dbraw/zinc/38/74/21/459387421.db2.gz QXDKOPVXNZVMBE-NTLWEQJWSA-N 2 0 345.531 3.438 10 0 EGAERP C[NH+](C)CCC[C@H]1C[N@H+](CCCSCc2ccccc2)CCO1 ZINC000595906576 459481606 /nfs/dbraw/zinc/48/16/06/459481606.db2.gz LEEBXMKZUVKFIQ-IBGZPJMESA-N 2 0 336.545 3.353 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000573051515 459616000 /nfs/dbraw/zinc/61/60/00/459616000.db2.gz NYKZQBANLBOUSH-UHFFFAOYSA-N 2 0 331.548 3.144 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CCC[C@H]1CO)[C@@H]1C[C@H]1C1CC1 ZINC000527692244 459703441 /nfs/dbraw/zinc/70/34/41/459703441.db2.gz RFVBNRRIADENMA-DVMWJLJYSA-N 2 0 328.500 3.168 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc(Cl)c(F)c1 ZINC000584345291 459716125 /nfs/dbraw/zinc/71/61/25/459716125.db2.gz GINXMGXHZYOCKB-JEYLPNPQSA-N 2 0 339.886 3.346 10 0 EGAERP Clc1cc(C[NH2+]C[C@@H]2CCN2C2CCCC2)cc2c1OCCO2 ZINC000527811212 459746799 /nfs/dbraw/zinc/74/67/99/459746799.db2.gz XHNXBMQNSZCLNX-HNNXBMFYSA-N 2 0 336.863 3.218 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)cn1 ZINC000527987448 459789196 /nfs/dbraw/zinc/78/91/96/459789196.db2.gz NAYNUWILTHTWJN-LPHOPBHVSA-N 2 0 331.504 3.265 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCCC[C@@H]([NH+]3CCCC3)C2)o1 ZINC000593742186 459970303 /nfs/dbraw/zinc/97/03/03/459970303.db2.gz NVZKGWPMHGFFGG-QGZVFWFLSA-N 2 0 347.503 3.212 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCN(C(C)=O)c3ccccc32)CC1 ZINC000621751689 460050156 /nfs/dbraw/zinc/05/01/56/460050156.db2.gz LWUJMFRAKUKVGA-LJQANCHMSA-N 2 0 329.488 3.196 10 0 EGAERP COC(=O)CC1CCC([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC000599021275 460129439 /nfs/dbraw/zinc/12/94/39/460129439.db2.gz GIAMLAUWQNMXDX-UHFFFAOYSA-N 2 0 344.499 3.494 10 0 EGAERP CCC[C@H]([NH2+]CC1CC[NH+](CCN(C)C)CC1)c1cc(C)ccn1 ZINC000631578543 460453959 /nfs/dbraw/zinc/45/39/59/460453959.db2.gz VRKVKSRDWFFIGQ-IBGZPJMESA-N 2 0 332.536 3.094 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]Cc2cccc(COC3CCOCC3)c2)CC1(C)C ZINC000623414483 460535990 /nfs/dbraw/zinc/53/59/90/460535990.db2.gz FVKBDLGEDJKAEK-LJQANCHMSA-N 2 0 346.515 3.345 10 0 EGAERP CCOc1cc(CCC[NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)ccc1OC ZINC000623425256 460542499 /nfs/dbraw/zinc/54/24/99/460542499.db2.gz WOIDPUZZSZXVDQ-QGZVFWFLSA-N 2 0 334.504 3.489 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1cc2cc(Br)ccc2o1 ZINC000629529475 460797090 /nfs/dbraw/zinc/79/70/90/460797090.db2.gz DLSGMZDVEYNNHO-NSHDSACASA-N 2 0 341.249 3.082 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCCc2ccc(Br)cc21 ZINC000629530889 460797543 /nfs/dbraw/zinc/79/75/43/460797543.db2.gz UJULLIWLBMAHOD-MRXNPFEDSA-N 2 0 341.293 3.042 10 0 EGAERP C[C@@H]1CC2(C[N@@H+]1Cc1coc(-c3ccccc3F)n1)CC[NH2+]CC2 ZINC000629536555 460799757 /nfs/dbraw/zinc/79/97/57/460799757.db2.gz GPDOXXZEFKHCBP-CQSZACIVSA-N 2 0 329.419 3.445 10 0 EGAERP Fc1ccc(SCC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000629591167 460818458 /nfs/dbraw/zinc/81/84/58/460818458.db2.gz BWXLLLHOEUTJHF-KRWDZBQOSA-N 2 0 338.492 3.008 10 0 EGAERP [NH3+]CCCOCC[NH2+]CC(c1ccc(F)cc1)c1ccc(F)cc1 ZINC000629678829 460864018 /nfs/dbraw/zinc/86/40/18/460864018.db2.gz LKVAQMXXULLYCC-UHFFFAOYSA-N 2 0 334.410 3.052 10 0 EGAERP CCN(C(=O)c1ccc(C[NH+]2CCCCC2)cc1)[C@H]1CC[N@H+](CC)C1 ZINC000617924943 461024300 /nfs/dbraw/zinc/02/43/00/461024300.db2.gz BMNGAAQGRYGCOW-FQEVSTJZSA-N 2 0 343.515 3.229 10 0 EGAERP c1ccc2c(c1)CN(c1ccnc(NC[C@H]3CC[N@@H+]3C3CCCC3)n1)C2 ZINC000624639773 461077714 /nfs/dbraw/zinc/07/77/14/461077714.db2.gz ZAUFCXSKYHFJKU-LJQANCHMSA-N 2 0 349.482 3.426 10 0 EGAERP Cc1ccc(CCC2CC[NH+](C[C@@H]3CCC4(C[NH2+]C4)O3)CC2)cc1 ZINC000662249510 461142409 /nfs/dbraw/zinc/14/24/09/461142409.db2.gz VZOHCGKSMQRIGS-FQEVSTJZSA-N 2 0 328.500 3.161 10 0 EGAERP OCCC[N@H+](Cc1cccc2c1CC[NH2+]C2)[C@@H]1CCc2ccccc21 ZINC000662254299 461144318 /nfs/dbraw/zinc/14/43/18/461144318.db2.gz GZGOQWPLKBRAEX-JOCHJYFZSA-N 2 0 336.479 3.204 10 0 EGAERP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@@H]2[C@@H]2C[C@@H]([NH3+])CCO2)c1 ZINC000652360645 461155084 /nfs/dbraw/zinc/15/50/84/461155084.db2.gz NKMZXGPLVMIUIC-NSHGMRRFSA-N 2 0 332.488 3.043 10 0 EGAERP Cc1ccc(C)c(OCC[N@@H+]2CCCC[C@@H]2[C@H]2C[C@H]([NH3+])CCO2)c1 ZINC000652360646 461155480 /nfs/dbraw/zinc/15/54/80/461155480.db2.gz NKMZXGPLVMIUIC-QWFCFKBJSA-N 2 0 332.488 3.043 10 0 EGAERP O=C(CC[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1)Nc1cccc(Cl)c1 ZINC000662292400 461170928 /nfs/dbraw/zinc/17/09/28/461170928.db2.gz FHSQLTOJKUAUTD-INIZCTEOSA-N 2 0 349.906 3.380 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccn(-c3ccc(F)cc3)n2)[C@@H]1CCC[NH3+] ZINC000662315627 461187631 /nfs/dbraw/zinc/18/76/31/461187631.db2.gz UQGKBUHAJFQOBQ-DNVCBOLYSA-N 2 0 330.451 3.351 10 0 EGAERP [NH3+]CCCN(CC1CCCC1)C(=O)c1ccc2c(c1)[C@H](C[NH3+])CCC2 ZINC000662564032 461297887 /nfs/dbraw/zinc/29/78/87/461297887.db2.gz UVNSVDDJUWKATD-IBGZPJMESA-N 2 0 343.515 3.046 10 0 EGAERP C[C@H]1CC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)CS1 ZINC000655701762 461374701 /nfs/dbraw/zinc/37/47/01/461374701.db2.gz ZLNCKRQSOCSILU-RBUKOAKNSA-N 2 0 347.572 3.463 10 0 EGAERP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655827715 461482275 /nfs/dbraw/zinc/48/22/75/461482275.db2.gz YPWHUHJHINWFKR-FZNQNYSPSA-N 2 0 348.441 3.197 10 0 EGAERP CCOCCC[N@@H+]1CC[C@@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@@H](C)C1 ZINC000655838673 461489238 /nfs/dbraw/zinc/48/92/38/461489238.db2.gz HFWWVZVMNXYTTA-XLAORIBOSA-N 2 0 326.525 3.059 10 0 EGAERP CC[NH+]1CCN(CCC[NH2+]Cc2oc3ccccc3c2Cl)CC1 ZINC000631042493 461496518 /nfs/dbraw/zinc/49/65/18/461496518.db2.gz ZDLVKTSOWUFYTN-UHFFFAOYSA-N 2 0 335.879 3.203 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647171421 461540163 /nfs/dbraw/zinc/54/01/63/461540163.db2.gz JNFSGNLLSSPSGK-QGZVFWFLSA-N 2 0 327.476 3.012 10 0 EGAERP c1cn(-c2csc(C[NH2+]C[C@@H]3CCC[N@H+](CC4CC4)C3)c2)cn1 ZINC000663345907 461574472 /nfs/dbraw/zinc/57/44/72/461574472.db2.gz OLXQAWNQRPVJSV-INIZCTEOSA-N 2 0 330.501 3.145 10 0 EGAERP CC(=O)Nc1ccc(C[NH2+]C[C@@H]2C[N@@H+](C)C[C@H]2c2ccccc2)cc1 ZINC000647248734 461590602 /nfs/dbraw/zinc/59/06/02/461590602.db2.gz YGGGHZZALQGPNJ-CTNGQTDRSA-N 2 0 337.467 3.080 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@@H]2CCS[C@H]2C)CC1 ZINC000647257981 461593903 /nfs/dbraw/zinc/59/39/03/461593903.db2.gz HNJGFCIQLBCJOZ-FUHWJXTLSA-N 2 0 333.545 3.202 10 0 EGAERP CC[NH+]1CCN(C[C@@H](C)C[NH2+][C@@H](CC(C)C)c2ccncc2)CC1 ZINC000647287947 461612805 /nfs/dbraw/zinc/61/28/05/461612805.db2.gz ZHLMZIAWPCFXOR-ICSRJNTNSA-N 2 0 332.536 3.032 10 0 EGAERP COC[C@H](CC(C)(C)C)[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000656201265 461646509 /nfs/dbraw/zinc/64/65/09/461646509.db2.gz MTQIZKJPYANQDQ-KNBMTAEXSA-N 2 0 332.488 3.283 10 0 EGAERP COc1ccc(Cl)cc1NC(=O)C[C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663501731 461674815 /nfs/dbraw/zinc/67/48/15/461674815.db2.gz CCDKSVNTZFXRIR-TZMCWYRMSA-N 2 0 341.883 3.029 10 0 EGAERP COc1ccc(Cl)cc1NC(=O)C[C@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663501730 461674897 /nfs/dbraw/zinc/67/48/97/461674897.db2.gz CCDKSVNTZFXRIR-GXTWGEPZSA-N 2 0 341.883 3.029 10 0 EGAERP CC[C@H](C)Oc1cc(C[N@H+]2CC[C@H]3C[NH2+]C[C@H]3CC2)ccc1OC ZINC000647544513 461761512 /nfs/dbraw/zinc/76/15/12/461761512.db2.gz BYBZIOCJRSDAIS-RYQLBKOJSA-N 2 0 332.488 3.304 10 0 EGAERP Fc1cc(Br)cc(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c1 ZINC000647550482 461763196 /nfs/dbraw/zinc/76/31/96/461763196.db2.gz SMRLYDWYBWATTF-SLEUVZQESA-N 2 0 327.241 3.066 10 0 EGAERP CC1=C(C)C[C@H]([C@H](C)[NH2+]C2C[C@H]3CC[C@@H](C2)N3CC(=O)N(C)C)CC1 ZINC000639164379 461774283 /nfs/dbraw/zinc/77/42/83/461774283.db2.gz QRYRSDAVBWHCTN-WSCSCYJOSA-N 2 0 347.547 3.185 10 0 EGAERP c1ccc2c(c1)CC[C@H](C[NH2+]CC1CC[NH+](C3CCOCC3)CC1)C2 ZINC000639304082 461853141 /nfs/dbraw/zinc/85/31/41/461853141.db2.gz WOVANVJSPWOVSX-IBGZPJMESA-N 2 0 342.527 3.272 10 0 EGAERP Cc1ccccc1-n1nccc1C[N@@H+]1CCC[C@H](C2CC[NH2+]CC2)C1 ZINC000656782660 461892027 /nfs/dbraw/zinc/89/20/27/461892027.db2.gz IFJNJXBBUYLUHN-IBGZPJMESA-N 2 0 338.499 3.392 10 0 EGAERP Brc1ccc(C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)nc1 ZINC000656785157 461895945 /nfs/dbraw/zinc/89/59/45/461895945.db2.gz JRFXVYPRGRZGKS-CQSZACIVSA-N 2 0 338.293 3.056 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H]([C@@H]2CCC[N@H+](Cc3ccccc3OCC3CC3)C2)C1 ZINC000650706899 461900368 /nfs/dbraw/zinc/90/03/68/461900368.db2.gz VFCGRZNIPRYJGM-SFHLNBCPSA-N 2 0 344.499 3.194 10 0 EGAERP CCOc1ccc(C[NH2+]Cc2ccccc2C[NH2+]C)cc1OCC ZINC000650718685 461910862 /nfs/dbraw/zinc/91/08/62/461910862.db2.gz SWSCQGGDXLNGCY-UHFFFAOYSA-N 2 0 328.456 3.493 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@H](C)Cc1ccc(OC)c(OC)c1 ZINC000650719532 461910894 /nfs/dbraw/zinc/91/08/94/461910894.db2.gz SVKFQAPZZLUKCD-OAHLLOKOSA-N 2 0 328.456 3.144 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccccc2Br)CCC1 ZINC000650741441 461928202 /nfs/dbraw/zinc/92/82/02/461928202.db2.gz DPXQRWBMVMLHGA-ZDUSSCGKSA-N 2 0 341.293 3.172 10 0 EGAERP CC1(C)C[C@H]([NH2+]Cc2ccc3c[nH+]cn3c2)CN1Cc1ccccc1 ZINC000656980621 461948265 /nfs/dbraw/zinc/94/82/65/461948265.db2.gz ZPNKWPYERVNIMY-IBGZPJMESA-N 2 0 334.467 3.477 10 0 EGAERP C[NH+]1CCC2(CC1)C[N@H+](CCSc1cccc(Cl)c1)CCO2 ZINC000660904647 462015509 /nfs/dbraw/zinc/01/55/09/462015509.db2.gz ONYSDATVYYXAHV-UHFFFAOYSA-N 2 0 340.920 3.229 10 0 EGAERP O[C@@H](C[NH2+]Cc1ccc2c[nH+]cn2c1)Cc1ccccc1C(F)(F)F ZINC000644667058 462030419 /nfs/dbraw/zinc/03/04/19/462030419.db2.gz GNGFRURAHWGNQR-MRXNPFEDSA-N 2 0 349.356 3.046 10 0 EGAERP C[C@H](C[NH2+]Cc1ccnn1-c1cc[nH+]cc1)COCc1ccccc1 ZINC000657327478 462049964 /nfs/dbraw/zinc/04/99/64/462049964.db2.gz VTWBEOYWPZWCOB-QGZVFWFLSA-N 2 0 336.439 3.210 10 0 EGAERP c1nn2c(c1C[NH2+]Cc1ccc(C[NH+]3CCCCCC3)cc1)CCC2 ZINC000657337521 462056132 /nfs/dbraw/zinc/05/61/32/462056132.db2.gz YEWKGKFAZZGFRQ-UHFFFAOYSA-N 2 0 338.499 3.495 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2c(F)cncc2Br)CC1 ZINC000657346680 462061079 /nfs/dbraw/zinc/06/10/79/462061079.db2.gz HGUBWQUCMGYWIN-UHFFFAOYSA-N 2 0 344.272 3.195 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+]CCCOC2CC[NH+](Cc3ccccc3)CC2)CO1 ZINC000657387739 462090964 /nfs/dbraw/zinc/09/09/64/462090964.db2.gz ZLPIMKGKXVFWDY-VQTJNVASSA-N 2 0 346.515 3.215 10 0 EGAERP c1cc(C[NH2+][C@@H]2CCO[C@H](c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657438164 462124913 /nfs/dbraw/zinc/12/49/13/462124913.db2.gz ZSUDJFHBHNFOJG-XLIONFOSSA-N 2 0 334.423 3.277 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(OCC[NH+]2CCCC2)cc1)c1ccccn1 ZINC000657532798 462169771 /nfs/dbraw/zinc/16/97/71/462169771.db2.gz MIJYVASGEWXPRW-GOSISDBHSA-N 2 0 339.483 3.450 10 0 EGAERP [NH3+][C@H](CCC(=O)N1CCC[C@H]([C@@H]2CCC[NH2+]2)C1)CC1CCCCC1 ZINC000645106832 462180979 /nfs/dbraw/zinc/18/09/79/462180979.db2.gz JPYQVGKXCUFJPX-OTWHNJEPSA-N 2 0 335.536 3.055 10 0 EGAERP CCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)s1 ZINC000657596113 462196126 /nfs/dbraw/zinc/19/61/26/462196126.db2.gz VDFYREZZIATNKL-KRWDZBQOSA-N 2 0 330.497 3.167 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@H](O)C3)cc2)c(C)s1 ZINC000657595830 462197595 /nfs/dbraw/zinc/19/75/95/462197595.db2.gz KPKQHKIYYDOKHU-IBGZPJMESA-N 2 0 330.497 3.221 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000657597023 462198815 /nfs/dbraw/zinc/19/88/15/462198815.db2.gz QTVQONXEHDBIIN-IERDGZPVSA-N 2 0 342.458 3.286 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3cc(F)cc(Cl)c3)cc2)C1 ZINC000657597001 462199857 /nfs/dbraw/zinc/19/98/57/462199857.db2.gz QHXLNLJNQADKOM-LJQANCHMSA-N 2 0 348.849 3.336 10 0 EGAERP c1cc(C[N@@H+](CCc2ccccc2)[C@H]2CCOC2)n(-c2cc[nH+]cc2)n1 ZINC000667696256 462219363 /nfs/dbraw/zinc/21/93/63/462219363.db2.gz PGPOVSNGXKFPRN-NRFANRHFSA-N 2 0 348.450 3.101 10 0 EGAERP C[C@H]([C@H]1Cc2ccccc2O1)[N@H+](C)Cc1ccnn1-c1cc[nH+]cc1 ZINC000667707868 462223898 /nfs/dbraw/zinc/22/38/98/462223898.db2.gz LJORROZFBQONGE-FOIQADDNSA-N 2 0 334.423 3.091 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)CO1 ZINC000657774127 462261034 /nfs/dbraw/zinc/26/10/34/462261034.db2.gz XHFAQBRQBBZDQQ-SLFFLAALSA-N 2 0 328.500 3.446 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCC(O)CC1)C(C)(C)C(F)F ZINC000657901454 462312155 /nfs/dbraw/zinc/31/21/55/462312155.db2.gz UBFKMNVXYJNGNX-AWEZNQCLSA-N 2 0 340.458 3.413 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1COC2(CCC2)C1 ZINC000657907024 462313651 /nfs/dbraw/zinc/31/36/51/462313651.db2.gz DYBBBMUUQOJXSA-BWPNAZKDSA-N 2 0 328.500 3.444 10 0 EGAERP COCCc1ccc(OC[C@@H](C)[NH2+]C2CCC(C[NH+](C)C)CC2)cc1 ZINC000667912794 462318324 /nfs/dbraw/zinc/31/83/24/462318324.db2.gz NOGJGZCHSZTPEY-QHGAOEGBSA-N 2 0 348.531 3.353 10 0 EGAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1ccc(-c2ccccc2)cn1 ZINC000651749690 462324409 /nfs/dbraw/zinc/32/44/09/462324409.db2.gz GGRXJLMIJNLWID-GOSISDBHSA-N 2 0 338.499 3.037 10 0 EGAERP COC[C@H](CC1CCOCC1)[NH2+][C@H]1CCN(Cc2ccccc2)[C@@H]1C ZINC000658012648 462346643 /nfs/dbraw/zinc/34/66/43/462346643.db2.gz HLNSPOQSPBCYIH-QMMLZNLJSA-N 2 0 346.515 3.071 10 0 EGAERP COc1ccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000658069358 462365966 /nfs/dbraw/zinc/36/59/66/462365966.db2.gz OCYLMPZDAQEJQE-INIZCTEOSA-N 2 0 332.488 3.237 10 0 EGAERP CCC1(CC)[C@H](OC)C[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068331 462366219 /nfs/dbraw/zinc/36/62/19/462366219.db2.gz WDFCOKIIIUIKGB-RBUKOAKNSA-N 2 0 338.536 3.061 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c(C)n1 ZINC000658068721 462366458 /nfs/dbraw/zinc/36/64/58/462366458.db2.gz YOLKZKKFXLLOTO-MRXNPFEDSA-N 2 0 331.504 3.240 10 0 EGAERP FCC[C@H]1CCC[NH+](CC2(C[N@H+]3CCC[C@H](CCF)C3)COC2)C1 ZINC000661691301 462367587 /nfs/dbraw/zinc/36/75/87/462367587.db2.gz TWYAJFLVIIOGCW-QZTJIDSGSA-N 2 0 344.490 3.146 10 0 EGAERP C[C@@H]([NH3+])[C@@H](Cc1ccccc1)[NH2+]CCc1nsc2ccccc12 ZINC000665275215 462380382 /nfs/dbraw/zinc/38/03/82/462380382.db2.gz FKHRNKJQAXZHHP-RDTXWAMCSA-N 2 0 325.481 3.387 10 0 EGAERP C[C@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277344 462381680 /nfs/dbraw/zinc/38/16/80/462381680.db2.gz ZHHUWMQJGAIVRC-YSIASYRMSA-N 2 0 327.516 3.019 10 0 EGAERP CC(C)[C@H]([NH3+])CCN[C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000665281474 462383059 /nfs/dbraw/zinc/38/30/59/462383059.db2.gz DQCQLARCYMAXGH-PLACYPQZSA-N 3 0 329.532 3.250 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC[C@@H]([NH3+])C(C)C)cc1Br ZINC000665281288 462383559 /nfs/dbraw/zinc/38/35/59/462383559.db2.gz ZFIFGQVZGIWKND-BXUZGUMPSA-N 2 0 329.282 3.482 10 0 EGAERP CC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccc(C)cc1 ZINC000665285556 462384657 /nfs/dbraw/zinc/38/46/57/462384657.db2.gz PRRMXUFUDMPQJC-IBGZPJMESA-N 2 0 331.504 3.026 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2C[C@@H](C)c3c2cccc3C)CC1 ZINC000665287643 462385800 /nfs/dbraw/zinc/38/58/00/462385800.db2.gz QRURXBRTASYLRH-APWZRJJASA-N 2 0 343.515 3.124 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H]1CCSc2ccc(F)cc21 ZINC000658107859 462388934 /nfs/dbraw/zinc/38/89/34/462388934.db2.gz LIJHCUJOMCWFEV-WMLDXEAASA-N 2 0 339.524 3.224 10 0 EGAERP C[C@H](Cc1ccsc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000658139931 462403869 /nfs/dbraw/zinc/40/38/69/462403869.db2.gz OPIIORWRJHSXOM-BEFAXECRSA-N 2 0 330.497 3.036 10 0 EGAERP OCC1(CC[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CCC1 ZINC000652037643 462412888 /nfs/dbraw/zinc/41/28/88/462412888.db2.gz VPERNQYOAMQLIU-LJQANCHMSA-N 2 0 328.500 3.326 10 0 EGAERP CO[C@H]1C[C@H]2C[C@@H]([NH2+]CC3CC[NH+](Cc4ccncc4)CC3)C[C@H]2C1 ZINC000658167009 462417072 /nfs/dbraw/zinc/41/70/72/462417072.db2.gz WYDUANJBQUHBRP-FXELSEDVSA-N 2 0 343.515 3.087 10 0 EGAERP CN1CC[NH+](CCCC[NH2+][C@@H](c2cccnc2)C2CCCCC2)CC1 ZINC000652139284 462447784 /nfs/dbraw/zinc/44/77/84/462447784.db2.gz GOCGRNLRNHFHPY-OAQYLSRUSA-N 2 0 344.547 3.320 10 0 EGAERP c1ccc(C[NH+]2CC[C@@]3(CC[N@@H+](CCC[C@H]4CCOC4)C3)C2)cc1 ZINC000645910627 462464827 /nfs/dbraw/zinc/46/48/27/462464827.db2.gz SNEDZFWTYPPQMQ-LEWJYISDSA-N 2 0 328.500 3.401 10 0 EGAERP C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000652246184 462488007 /nfs/dbraw/zinc/48/80/07/462488007.db2.gz MSTCUVGFOQYGIQ-IERDGZPVSA-N 2 0 346.515 3.483 10 0 EGAERP C[C@H](CCSc1ccccc1)[N@@H+]1CCOC2(CC[NH+](C)CC2)C1 ZINC000646106096 462518834 /nfs/dbraw/zinc/51/88/34/462518834.db2.gz KOTRJVDKDHFLAH-QGZVFWFLSA-N 2 0 334.529 3.354 10 0 EGAERP CCCCC[C@H]1CCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000662158035 462532970 /nfs/dbraw/zinc/53/29/70/462532970.db2.gz ZHMQCTBHDXJYEX-SFHVURJKSA-N 2 0 335.536 3.164 10 0 EGAERP c1ccc(CC[NH+]2CCC([NH2+]C[C@H]3CSCCS3)CC2)cc1 ZINC000165733433 534486416 /nfs/dbraw/zinc/48/64/16/534486416.db2.gz BEUNHYGXIHWFPH-SFHVURJKSA-N 2 0 336.570 3.132 10 0 EGAERP C[NH+](C)CCOc1ccc(CN2CCCC[C@H]([NH+]3CCCC3)C2)cc1 ZINC000092785547 546679678 /nfs/dbraw/zinc/67/96/78/546679678.db2.gz SOCSLYFWEAORMZ-FQEVSTJZSA-N 2 0 345.531 3.077 10 0 EGAERP CC[N@@H+]1CC[C@H](NCc2ccc(Br)cc2OC)[C@H](C)C1 ZINC000180950781 547061928 /nfs/dbraw/zinc/06/19/28/547061928.db2.gz VVOUIEXMHCPOCF-DOMZBBRYSA-N 2 0 341.293 3.278 10 0 EGAERP CCCOc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)ccc1OC ZINC000188418053 547148873 /nfs/dbraw/zinc/14/88/73/547148873.db2.gz BHWBIQINXKZRLS-KRWDZBQOSA-N 2 0 329.444 3.345 10 0 EGAERP CC(C)[C@H](C[NH2+][C@H](C)c1ccc(Cl)c(F)c1)N1CC[NH+](C)CC1 ZINC000391181678 547830467 /nfs/dbraw/zinc/83/04/67/547830467.db2.gz JLAGAMVONWSDKM-KDOFPFPSSA-N 2 0 341.902 3.402 10 0 EGAERP CO[C@@H]1C[C@H]([NH2+][C@H]2CCN(Cc3ccccc3)C[C@H]2C)C12CCC2 ZINC000398128591 547837264 /nfs/dbraw/zinc/83/72/64/547837264.db2.gz ITIMEDMAGBSDDD-BTHPGYMESA-N 2 0 328.500 3.444 10 0 EGAERP C[C@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Br)c2cccnc12 ZINC000414964246 547862722 /nfs/dbraw/zinc/86/27/22/547862722.db2.gz UMTYNSKETNCWPK-NHYWBVRUSA-N 2 0 334.261 3.085 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2cccc(OC)c2)[C@H](C)C1 ZINC000678277436 549455462 /nfs/dbraw/zinc/45/54/62/549455462.db2.gz JHZDWCZTOOYBQN-DNVCBOLYSA-N 2 0 342.487 3.247 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC(C)(C)N1CC[NH+](C)CC1)c1ccccc1 ZINC000684367572 550320147 /nfs/dbraw/zinc/32/01/47/550320147.db2.gz RSALPYPRZBZDOI-HXUWFJFHSA-N 2 0 331.548 3.432 10 0 EGAERP CC[NH+](CC)CCOc1ccc(C[NH2+][C@@H]2CCC[C@@H](OC)C2)cc1 ZINC000684370278 550320616 /nfs/dbraw/zinc/32/06/16/550320616.db2.gz RLRTZFJULFLDSV-UYAOXDASSA-N 2 0 334.504 3.454 10 0 EGAERP C[C@@H](C[NH2+]Cc1cc(C(F)(F)F)ccc1Cl)N1CC[NH+](C)CC1 ZINC000119089468 1293254117 /nfs/dbraw/zinc/25/41/17/1293254117.db2.gz CUUNMVKMXCYRBO-LBPRGKRZSA-N 2 0 349.828 3.084 10 0 EGAERP C[C@@H](C[C@@H]1CCCC[N@@H+]1C)OC(=O)c1cccc(Cn2ccnc2)c1 ZINC000870783574 1296075976 /nfs/dbraw/zinc/07/59/76/1296075976.db2.gz AUDXTGUPQNVIIH-LPHOPBHVSA-N 2 0 341.455 3.351 10 0 EGAERP Cc1ccccc1OCCCON=C(N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000871785005 1296531498 /nfs/dbraw/zinc/53/14/98/1296531498.db2.gz DPDFNSDETMAVPW-ALOPSCKCSA-N 2 0 331.460 3.135 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(OCCC[NH+](C)C)cc1)[C@H]1CCCOC1 ZINC000872030757 1296678643 /nfs/dbraw/zinc/67/86/43/1296678643.db2.gz CAHUBCCHJUSONH-AZUAARDMSA-N 2 0 334.504 3.312 10 0 EGAERP Cc1ccc2c(ccc(C)c2C[N@@H+]2CCC[C@@H](n3cc(C[NH3+])nn3)C2)c1 ZINC000872145664 1296766238 /nfs/dbraw/zinc/76/62/38/1296766238.db2.gz VZTYXUKHJRPUES-LJQANCHMSA-N 2 0 349.482 3.344 10 0 EGAERP C[C@H](c1ccc(Cl)cc1)N(C)C(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872155189 1296773563 /nfs/dbraw/zinc/77/35/63/1296773563.db2.gz GMLHRFZHBFGAAT-OAHLLOKOSA-N 2 0 339.911 3.310 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CCCCCC[NH3+])c1cccc2ccccc21 ZINC000872154972 1296773753 /nfs/dbraw/zinc/77/37/53/1296773753.db2.gz HTMVYJZRBYUOMC-QGZVFWFLSA-N 2 0 341.499 3.468 10 0 EGAERP COc1cc(Cl)c(C)cc1NC(=O)C[N@H+](C)CCCCCC[NH3+] ZINC000872154945 1296773933 /nfs/dbraw/zinc/77/39/33/1296773933.db2.gz GNZDSRZXKZLPDP-UHFFFAOYSA-N 2 0 341.883 3.046 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]Cc2ccccc2CNC(=O)OC(C)(C)C)CC1 ZINC000301705755 1296792238 /nfs/dbraw/zinc/79/22/38/1296792238.db2.gz YQTKNLHXZOXPIM-SFHVURJKSA-N 2 0 347.503 3.285 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]CCC(=O)Nc2cc(F)cc(F)c2)CC1 ZINC000872229639 1296832852 /nfs/dbraw/zinc/83/28/52/1296832852.db2.gz RVRNIQJANXSHGD-UHFFFAOYSA-N 2 0 339.430 3.146 10 0 EGAERP c1ccc(C[N@H+]2CCC[C@@H](CN3CCC[C@H]([NH2+]C4CC4)C3)C2)cc1 ZINC000310343539 1297092457 /nfs/dbraw/zinc/09/24/57/1297092457.db2.gz DPITXBCRUOIOMN-CTNGQTDRSA-N 2 0 327.516 3.115 10 0 EGAERP CCC[NH+]1CCC([NH2+]C[C@@]2(C)CCCN2C(=O)OC(C)(C)C)CC1 ZINC000310318766 1297093069 /nfs/dbraw/zinc/09/30/69/1297093069.db2.gz TXOHGPVYPYVCHF-LJQANCHMSA-N 2 0 339.524 3.240 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CC[NH2+]CC1(C)C ZINC000311529991 1297107967 /nfs/dbraw/zinc/10/79/67/1297107967.db2.gz XTXVDMCTIJIYAU-DOMZBBRYSA-N 2 0 325.294 3.358 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+][C@@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000382551858 1297560970 /nfs/dbraw/zinc/56/09/70/1297560970.db2.gz WFYXOPPJFQFUPZ-SJORKVTESA-N 2 0 339.524 3.142 10 0 EGAERP CC[C@@H]([NH2+]C1CC[NH+](C(C)C)CC1)C1CN(C(=O)OC(C)(C)C)C1 ZINC000716158658 1298293862 /nfs/dbraw/zinc/29/38/62/1298293862.db2.gz VQAAOJARINGQHG-QGZVFWFLSA-N 2 0 339.524 3.094 10 0 EGAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@H]1CCCCN1Cc1ccccc1 ZINC000719957627 1298326288 /nfs/dbraw/zinc/32/62/88/1298326288.db2.gz DSGASQJQOOJBNL-OAQYLSRUSA-N 2 0 329.532 3.363 10 0 EGAERP C[N@H+](CCC1CC[NH2+]CC1)C[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000719937145 1298327040 /nfs/dbraw/zinc/32/70/40/1298327040.db2.gz KYBJCBBDQAXEMU-NRFANRHFSA-N 3 0 329.532 3.220 10 0 EGAERP O=c1[nH]c2ccc(C[NH+]3CCC(C[NH+]4CCCCCC4)CC3)cc2[nH]1 ZINC000893940455 1306138044 /nfs/dbraw/zinc/13/80/44/1306138044.db2.gz MVLXWGJSPSLDIJ-UHFFFAOYSA-N 2 0 342.487 3.357 10 0 EGAERP COCc1c(C)cc(C)c(C[N@@H+]2CCO[C@H](CCC[NH+](C)C)C2)c1C ZINC000895351981 1309295447 /nfs/dbraw/zinc/29/54/47/1309295447.db2.gz LABFLMKWCJKKQB-LJQANCHMSA-N 2 0 348.531 3.301 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccc(C[NH+](C)C[C@H]3CCCOC3)cc2)C[C@H](C)O1 ZINC000895740300 1309499198 /nfs/dbraw/zinc/49/91/98/1309499198.db2.gz QFTOGNPJKURKAS-LVCYWYKZSA-N 2 0 346.515 3.154 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CC[C@@H]([NH2+][C@@H]4CO[C@H](C5CC5)C4)C[C@@H]3C2)cc1 ZINC000898519627 1310773925 /nfs/dbraw/zinc/77/39/25/1310773925.db2.gz PYWOCXORDUPICM-MNVIUDHYSA-N 2 0 340.511 3.444 10 0 EGAERP C[N@@H+]1CCC[C@@H]2C[NH+](CCC3(C(=O)OC(C)(C)C)CCC3)CC[C@@H]21 ZINC000929842900 1328718100 /nfs/dbraw/zinc/71/81/00/1328718100.db2.gz FNCVPSDWXNRNEP-SJORKVTESA-N 2 0 336.520 3.305 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@@H]3CCCC[C@H]3C)CC2)C1 ZINC000858503814 1328781968 /nfs/dbraw/zinc/78/19/68/1328781968.db2.gz HDRPFYISSOZLTI-AYOQOUSVSA-N 2 0 334.504 3.271 10 0 EGAERP O=c1cc(C[NH2+]Cc2ccccc2C[NH+]2CCCCCC2)cc[nH]1 ZINC000921734239 1322387107 /nfs/dbraw/zinc/38/71/07/1322387107.db2.gz JLHXLENTCXHOMW-UHFFFAOYSA-N 2 0 325.456 3.453 10 0 EGAERP C[C@@H]1C[C@@H](CC[NH2+]Cc2cnn(CCF)c2)C[N@@H+]1Cc1ccccc1 ZINC000921927233 1322424541 /nfs/dbraw/zinc/42/45/41/1322424541.db2.gz GBOZJHQSMCNVTM-IEBWSBKVSA-N 2 0 344.478 3.243 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(OCc3cccnc3)cc2)CC[C@@H]1C[NH3+] ZINC000923501700 1322763430 /nfs/dbraw/zinc/76/34/30/1322763430.db2.gz SMCWLSFQXWIOEF-QFBILLFUSA-N 2 0 325.456 3.077 10 0 EGAERP CCC1([NH+]2CCC2)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC000924380703 1323001704 /nfs/dbraw/zinc/00/17/04/1323001704.db2.gz BUMBWJRCDDGKIC-UHFFFAOYSA-N 2 0 335.536 3.118 10 0 EGAERP C[C@H]([NH2+]CCCN1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924577149 1323060317 /nfs/dbraw/zinc/06/03/17/1323060317.db2.gz CJNVQTSMTMMJOR-LBPRGKRZSA-N 2 0 335.439 3.055 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H](C)C[NH+]2CCCCC2)n(C)n1 ZINC000924722262 1323133597 /nfs/dbraw/zinc/13/35/97/1323133597.db2.gz QQNZVBPZJRAVMN-XKGZKEIXSA-N 2 0 332.536 3.151 10 0 EGAERP C[NH+](C)Cc1ccc(NC(=O)C2([NH+](C)C)CCC2)cc1C(F)(F)F ZINC000924884895 1323200605 /nfs/dbraw/zinc/20/06/05/1323200605.db2.gz ALMDFLFDWVUFQK-UHFFFAOYSA-N 2 0 343.393 3.190 10 0 EGAERP C[C@H]([NH2+]CCCNC(=O)OC(C)(C)C)c1cccc(C[NH+](C)C)c1 ZINC000924946055 1323223816 /nfs/dbraw/zinc/22/38/16/1323223816.db2.gz KGAHLTJWYWAMLU-HNNXBMFYSA-N 2 0 335.492 3.314 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)CN1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924954023 1323227672 /nfs/dbraw/zinc/22/76/72/1323227672.db2.gz SQYICOMKDZRFJN-QWHCGFSZSA-N 2 0 349.466 3.301 10 0 EGAERP C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CCCCCC[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000859828526 1329089282 /nfs/dbraw/zinc/08/92/82/1329089282.db2.gz ANSHAQDXNZGSTR-GZMDLBLKSA-N 2 0 340.552 3.350 10 0 EGAERP CCC1([NH+]2CCCC2)CC[NH+](C[C@H]2CCCC[C@@H]2C(=O)OC)CC1 ZINC000931466200 1329124951 /nfs/dbraw/zinc/12/49/51/1329124951.db2.gz VMCQPWMMEJFGJV-MSOLQXFVSA-N 2 0 336.520 3.306 10 0 EGAERP CCOc1cc(C[NH2+][C@H]2C[C@H]([NH3+])C23CCC3)ccc1OC(F)F ZINC000925477276 1325167786 /nfs/dbraw/zinc/16/77/86/1325167786.db2.gz PTBWROMYJIPYCM-GJZGRUSLSA-N 2 0 326.387 3.046 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H]([NH3+])CC(C)(C)C1)c1cccc(N2CCOC2=O)c1 ZINC000925480429 1325168409 /nfs/dbraw/zinc/16/84/09/1325168409.db2.gz KINDXLFPZNMANY-IMJJTQAJSA-N 2 0 331.460 3.200 10 0 EGAERP CC1(C)C[C@@H](NC[C@@H]2CC[N@H+](CCc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925491546 1325173614 /nfs/dbraw/zinc/17/36/14/1325173614.db2.gz JTKQVDYVDOPJEX-ZCNNSNEGSA-N 2 0 329.532 3.047 10 0 EGAERP CCOc1cc(C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1OC ZINC000925488255 1325174166 /nfs/dbraw/zinc/17/41/66/1325174166.db2.gz ITUASHMKHUALMA-ROUUACIJSA-N 2 0 332.488 3.352 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)N1CCc2sccc2C1 ZINC000925495053 1325176709 /nfs/dbraw/zinc/17/67/09/1325176709.db2.gz XBFYQRFBBPXEOJ-ATZDWAIDSA-N 2 0 347.572 3.253 10 0 EGAERP CC1CC[NH+]([C@H](CN[C@@H]2C[C@H]([NH3+])C23CCC3)c2cccs2)CC1 ZINC000925506421 1325182229 /nfs/dbraw/zinc/18/22/29/1325182229.db2.gz ZAXDHTZQFGMODZ-BPQIPLTHSA-N 2 0 333.545 3.381 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(OC[C@@H]2CCOC2)c1 ZINC000925539876 1325198600 /nfs/dbraw/zinc/19/86/00/1325198600.db2.gz LZPUKSNGOCTPTJ-BHIYHBOVSA-N 2 0 346.515 3.406 10 0 EGAERP CC1(C)C[C@@H](NC2CC[NH+](CCc3ccccc3)CC2)C[C@@H]([NH3+])C1 ZINC000925543032 1325200363 /nfs/dbraw/zinc/20/03/63/1325200363.db2.gz KKVHFZFNEUCARO-QUCCMNQESA-N 2 0 329.532 3.189 10 0 EGAERP c1cn(-c2ccccc2)nc1CC[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1 ZINC000925550744 1325203661 /nfs/dbraw/zinc/20/36/61/1325203661.db2.gz OBRARMHCIQDMHT-SFTDATJTSA-N 2 0 338.499 3.173 10 0 EGAERP COc1ccc(CC[NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)cc1OC(F)F ZINC000925558767 1325208662 /nfs/dbraw/zinc/20/86/62/1325208662.db2.gz RDKHZPAZVBJXQF-KBPBESRZSA-N 2 0 342.430 3.335 10 0 EGAERP COc1ccc(C2(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CCOCC2)cc1 ZINC000925561395 1325209101 /nfs/dbraw/zinc/20/91/01/1325209101.db2.gz BIEFLQQLQNGDCX-ZWKOTPCHSA-N 2 0 346.515 3.239 10 0 EGAERP CC1(C)[C@H]([NH2+]C[C@@H]2CCN(c3ccc(F)cc3)C2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925561741 1325211267 /nfs/dbraw/zinc/21/12/67/1325211267.db2.gz DNYGTSRCCJFGDT-KLIQENQMSA-N 2 0 331.479 3.018 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2nc(-c3ccncc3)cs2)C1 ZINC000925568353 1325214666 /nfs/dbraw/zinc/21/46/66/1325214666.db2.gz JXFPNKOPBSWGGR-GJZGRUSLSA-N 2 0 330.501 3.243 10 0 EGAERP CC1(C)[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925582932 1325220391 /nfs/dbraw/zinc/22/03/91/1325220391.db2.gz BVPJTHLRQWJUDD-FGTMMUONSA-N 2 0 343.446 3.389 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]C2CCN(c3nc4ccccc4s3)CC2)C12CCC2 ZINC000925586915 1325222210 /nfs/dbraw/zinc/22/22/10/1325222210.db2.gz VVSGIIZUOMOMKX-IAGOWNOFSA-N 2 0 342.512 3.125 10 0 EGAERP O[C@H](c1ccccc1)C1(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)CC1 ZINC000925624217 1325234384 /nfs/dbraw/zinc/23/43/84/1325234384.db2.gz WVRZSGVZXDGWLC-XUVXKRRUSA-N 2 0 328.500 3.258 10 0 EGAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@H]1C[C@H]([NH3+])C12CCC2 ZINC000925620803 1325234550 /nfs/dbraw/zinc/23/45/50/1325234550.db2.gz BHEGFOAHRMQGBO-PMACEKPBSA-N 3 0 339.483 3.271 10 0 EGAERP O=C(CCCC[NH2+][C@H]1CC[NH2+]C12CCCC2)OCc1ccccc1 ZINC000925635954 1325240310 /nfs/dbraw/zinc/24/03/10/1325240310.db2.gz VUXXBDRAMWHVDJ-SFHVURJKSA-N 2 0 330.472 3.164 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCCc2nc(-c3ccc(F)cc3)no2)C1 ZINC000925637863 1325242707 /nfs/dbraw/zinc/24/27/07/1325242707.db2.gz UBIIYZAEFFEUMN-HOTGVXAUSA-N 2 0 346.450 3.304 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C1 ZINC000925641899 1325243095 /nfs/dbraw/zinc/24/30/95/1325243095.db2.gz CVNPLNXZIJILER-KBPBESRZSA-N 2 0 345.409 3.061 10 0 EGAERP O[C@H](C[NH2+][C@@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1cc(F)cc(Cl)c1 ZINC000925659656 1325252683 /nfs/dbraw/zinc/25/26/83/1325252683.db2.gz ZCFNGHFMDPHNSR-KZNAEPCWSA-N 2 0 340.870 3.270 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+][C@H](Cn2ccccc2=O)c2ccccc2)C1 ZINC000925666507 1325254133 /nfs/dbraw/zinc/25/41/33/1325254133.db2.gz QCVZRBOMIOCCAD-GUDVDZBRSA-N 2 0 339.483 3.085 10 0 EGAERP COC(=O)Nc1cccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)c1 ZINC000925669817 1325256274 /nfs/dbraw/zinc/25/62/74/1325256274.db2.gz FOMGKURRJIEXEU-MSOLQXFVSA-N 2 0 331.460 3.123 10 0 EGAERP CC1(C)[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925676937 1325259411 /nfs/dbraw/zinc/25/94/11/1325259411.db2.gz MMZUCRMLKVGVOP-QLFBSQMISA-N 2 0 327.394 3.009 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+]CC1([NH3+])C2CC3CC(C2)CC1C3)c1ccccc1 ZINC000925704329 1325266072 /nfs/dbraw/zinc/26/60/72/1325266072.db2.gz GHGTYLOIANAAAJ-YTVQSGDASA-N 3 0 327.516 3.210 10 0 EGAERP CC1(C)C[C@@H]([NH2+]Cc2cccc(COC[C@@H]3CCCO3)c2)C[C@@H]([NH3+])C1 ZINC000925717836 1325268137 /nfs/dbraw/zinc/26/81/37/1325268137.db2.gz VELRARZTEQUYJP-AABGKKOBSA-N 2 0 346.515 3.378 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)Cc1cccc(Cl)c1 ZINC000925730157 1325272962 /nfs/dbraw/zinc/27/29/62/1325272962.db2.gz OAACLHQJERWJTQ-OTWHNJEPSA-N 2 0 336.907 3.001 10 0 EGAERP CC1(C)CC[C@H](C[NH2+][C@@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)OC1 ZINC000925732558 1325274402 /nfs/dbraw/zinc/27/44/02/1325274402.db2.gz PQKGBTNEEBOKLP-MDYRTPRTSA-N 2 0 330.472 3.037 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]CC[C@@H]1CCC2(CCOCC2)CO1)c1ccccc1 ZINC000925771727 1325292349 /nfs/dbraw/zinc/29/23/49/1325292349.db2.gz CRUJDYZOMQBVPL-PMACEKPBSA-N 2 0 346.515 3.422 10 0 EGAERP Fc1ccc([C@H](C[C@@H]2CCOC2)[NH2+]C[C@@H]2C[NH2+]CCC2(F)F)cc1 ZINC000925776815 1325294805 /nfs/dbraw/zinc/29/48/05/1325294805.db2.gz MKSDVFUKPVBRBN-QRTARXTBSA-N 2 0 342.405 3.128 10 0 EGAERP CC[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc2cc(OC)ccc2c1 ZINC000925811882 1325312594 /nfs/dbraw/zinc/31/25/94/1325312594.db2.gz TWNQTSOBPAGYSW-OAQYLSRUSA-N 2 0 341.499 3.312 10 0 EGAERP CC(C)[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1ccc(C(F)(F)F)cc1 ZINC000925814100 1325313886 /nfs/dbraw/zinc/31/38/86/1325313886.db2.gz FSYBZXLOMJDGSH-QGZVFWFLSA-N 2 0 343.437 3.415 10 0 EGAERP CC(C)Oc1ccc([C@@H]2CCC[C@H]2[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925816269 1325314598 /nfs/dbraw/zinc/31/45/98/1325314598.db2.gz XPDOXFBRHGGEFC-LEWJYISDSA-N 2 0 345.531 3.123 10 0 EGAERP Cc1c2ccccc2oc1[C@@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925846447 1325326930 /nfs/dbraw/zinc/32/69/30/1325326930.db2.gz SRYFODNRHVIONX-QGZVFWFLSA-N 2 0 329.488 3.467 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](NC[C@]24CCC[C@H]2[NH2+]CC4)C3)cc1 ZINC000925847083 1325328620 /nfs/dbraw/zinc/32/86/20/1325328620.db2.gz SIARQFARJSOOIA-PVIWCNJMSA-N 3 0 339.527 3.304 10 0 EGAERP Fc1cccc2c1SCC[C@@H]2[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925851302 1325330992 /nfs/dbraw/zinc/33/09/92/1325330992.db2.gz XBCJVOXTAXNLEL-KRWDZBQOSA-N 2 0 337.508 3.028 10 0 EGAERP C[C@@H](NC[C@H]1CC[N@H+](Cc2ccccc2)C1)c1cn2c(n1)CCCC2 ZINC000926324241 1325516158 /nfs/dbraw/zinc/51/61/58/1325516158.db2.gz DEFOSTFQMKVCAQ-IEBWSBKVSA-N 2 0 338.499 3.392 10 0 EGAERP CC(=O)N[C@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926794713 1327720617 /nfs/dbraw/zinc/72/06/17/1327720617.db2.gz BFCZWBQOKMFJCW-SAOWJOCJSA-N 2 0 349.494 3.244 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1F)c1cccc(C[NH+](C)C)c1 ZINC000926867755 1327746584 /nfs/dbraw/zinc/74/65/84/1327746584.db2.gz MENDWAMGCCMWPT-BEFAXECRSA-N 2 0 330.447 3.142 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]Cc2ccc(O[C@H]3CCOC3)cc2)CC1 ZINC000865765138 1329736558 /nfs/dbraw/zinc/73/65/58/1329736558.db2.gz XDNIARKJLWCHSM-SYYJFZTOSA-N 2 0 332.488 3.207 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865835466 1329743672 /nfs/dbraw/zinc/74/36/72/1329743672.db2.gz RGUBNTPBQZFXQD-KSIDHJATSA-N 2 0 347.300 3.304 10 0 EGAERP C[C@H](CCc1cncc2ccccc21)[NH2+]C[C@H]1CN2CCC[C@H]2CO1 ZINC000866260943 1330086712 /nfs/dbraw/zinc/08/67/12/1330086712.db2.gz PZQUCYMYLQLGDX-UXPWSPDFSA-N 2 0 339.483 3.009 10 0 EGAERP C[C@@H]1CCc2ccc(F)cc2[C@@H]1[NH2+]CCN1CCC([NH+](C)C)CC1 ZINC000866279317 1330089679 /nfs/dbraw/zinc/08/96/79/1330089679.db2.gz PNOMUJAKRPHOKD-FOIQADDNSA-N 2 0 333.495 3.065 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+][C@H]2[C@@H]3OC[C@@H]4C[C@H]2C[C@@H]43)CC1 ZINC000866447224 1330113545 /nfs/dbraw/zinc/11/35/45/1330113545.db2.gz WYYIZZFNFQLMEO-IRJONXFESA-N 2 0 340.511 3.443 10 0 EGAERP C[C@@H]([NH2+]C1CCC(C)([NH+](C)C)CC1)c1ccc(S(C)(=O)=O)cc1 ZINC000866516352 1330120909 /nfs/dbraw/zinc/12/09/09/1330120909.db2.gz PWLMBPFNKULERF-MXWWQKGMSA-N 2 0 338.517 3.004 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCC(=O)Nc2ccccc2Cl)C1 ZINC000866702550 1330142439 /nfs/dbraw/zinc/14/24/39/1330142439.db2.gz CGZIBQBGIXGVCU-SFHVURJKSA-N 2 0 337.895 3.366 10 0 EGAERP C[NH2+]Cc1cccc(NC(=O)N(CC(C)C)CC2CC[NH+](C)CC2)c1 ZINC000868164395 1330257515 /nfs/dbraw/zinc/25/75/15/1330257515.db2.gz XFQADZGIAIOBBN-UHFFFAOYSA-N 2 0 346.519 3.238 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323145815 1387302019 /nfs/dbraw/zinc/30/20/19/1387302019.db2.gz ASPYIILGMLVBNF-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C2([NH+](C)C)CCC2)C[C@@H]1CC ZINC001323145463 1387302169 /nfs/dbraw/zinc/30/21/69/1387302169.db2.gz ZBVXKKWPMVQECD-WARJXXDVSA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1CC ZINC001323148099 1387302866 /nfs/dbraw/zinc/30/28/66/1387302866.db2.gz JCJQEFHCTTVDHW-ZWKOTPCHSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CCC(C)C ZINC001323161872 1387305242 /nfs/dbraw/zinc/30/52/42/1387305242.db2.gz QBYDQOSTOYNTKN-ZWKOTPCHSA-N 2 0 339.568 3.227 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CC1CC2(CCC2)C1 ZINC001323171122 1387306371 /nfs/dbraw/zinc/30/63/71/1387306371.db2.gz UEPSILLZTBKQTJ-MOPGFXCFSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001323734064 1387436131 /nfs/dbraw/zinc/43/61/31/1387436131.db2.gz UMZAWZSVMGCLRB-FQEVSTJZSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)[C@@H](C)C1 ZINC001324081968 1387533634 /nfs/dbraw/zinc/53/36/34/1387533634.db2.gz QQHOLBZLNJTIND-PKOBYXMFSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)[C@@H](C)C1 ZINC001324098160 1387541111 /nfs/dbraw/zinc/54/11/11/1387541111.db2.gz PRNXLTXLDKKCSK-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CCC[C@H]2C[NH2+]CC(CC)CC)C1 ZINC001324213414 1387560252 /nfs/dbraw/zinc/56/02/52/1387560252.db2.gz NIPOXHKUFHXCER-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]Cc1cccc(F)c1)[NH+](CC)CC ZINC001324224683 1387561728 /nfs/dbraw/zinc/56/17/28/1387561728.db2.gz DMTWQTAZADTNNH-OALUTQOASA-N 2 0 349.494 3.027 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)CCC[NH+](C)C)C2 ZINC001324557733 1387673602 /nfs/dbraw/zinc/67/36/02/1387673602.db2.gz TZHMBJCSQWOLAI-UYAOXDASSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C(=O)N1CC[C@](C)(C[NH2+]CCC2CCCCC2)C1)[NH+](C)C ZINC001324791378 1387774315 /nfs/dbraw/zinc/77/43/15/1387774315.db2.gz WBGCSSWQVHPJOY-AZUAARDMSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC001324817823 1387783103 /nfs/dbraw/zinc/78/31/03/1387783103.db2.gz NCKGSSCWMCVEEA-BQMJKSTESA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001324892663 1387808088 /nfs/dbraw/zinc/80/80/88/1387808088.db2.gz MNNMLNFOLOEJNV-MOPGFXCFSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CCC[C@@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001324958759 1387853512 /nfs/dbraw/zinc/85/35/12/1387853512.db2.gz WJCLATJUVWIJPB-JXFKEZNVSA-N 2 0 349.494 3.057 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C1([NH+](C)C)CCC1 ZINC001325896067 1388068842 /nfs/dbraw/zinc/06/88/42/1388068842.db2.gz BUMWUSZEBWNNCM-OXUXSNCKSA-N 2 0 347.547 3.282 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001326384110 1388173088 /nfs/dbraw/zinc/17/30/88/1388173088.db2.gz RUCCCMXQCBRZCP-SBUVDCAVSA-N 2 0 349.563 3.434 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CC[C@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001326436408 1388187723 /nfs/dbraw/zinc/18/77/23/1388187723.db2.gz CZQYKOMYKFKCRU-FQEVSTJZSA-N 2 0 347.547 3.191 10 0 EGAERP C[C@@H]([NH2+]CC1CC(C)(C)C1)c1ccc(CNC(=O)CC[NH+](C)C)cc1 ZINC001326482315 1388210965 /nfs/dbraw/zinc/21/09/65/1388210965.db2.gz WIXAZVKUFNEGEG-MRXNPFEDSA-N 2 0 345.531 3.341 10 0 EGAERP CC[NH+](CC)CC[C@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001124128526 1372678216 /nfs/dbraw/zinc/67/82/16/1372678216.db2.gz ONWWTUIQOXJUKT-ICSRJNTNSA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCC3CC3)CC2)CC1 ZINC001326557551 1388238899 /nfs/dbraw/zinc/23/88/99/1388238899.db2.gz ALRBUMBAKJTGKH-KESTWPANSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H]([C@H](C)NC(=O)CC[NH+]2CCCCC2)C1 ZINC001265707907 1377162771 /nfs/dbraw/zinc/16/27/71/1377162771.db2.gz GZHGAUCMZANXBE-UVEXCMSLSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[NH2+]C1CCC(NC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001265736211 1377164728 /nfs/dbraw/zinc/16/47/28/1377164728.db2.gz LFDGJGIVMRZKIM-DSTAAOTGSA-N 2 0 335.536 3.234 10 0 EGAERP CCC(CC)C[N@H+](C)[C@@H]1CCCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001266102419 1377186471 /nfs/dbraw/zinc/18/64/71/1377186471.db2.gz JSVCLHFFTDDLSV-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]([N@H+](C)CCC(C)(C)C)C1)[NH+](CC)CC ZINC001266110762 1377189871 /nfs/dbraw/zinc/18/98/71/1377189871.db2.gz OMOHZRAQNGPILA-ZWKOTPCHSA-N 2 0 339.568 3.466 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001266526460 1377327523 /nfs/dbraw/zinc/32/75/23/1377327523.db2.gz VNYLDIRTKQFNHQ-ROUUACIJSA-N 2 0 343.515 3.060 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546301 1377330343 /nfs/dbraw/zinc/33/03/43/1377330343.db2.gz SUAIRLJCKWXKGH-IAGOWNOFSA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+](C)C(C)C)[C@H]1CCCc2ccccc21 ZINC001266579561 1377337137 /nfs/dbraw/zinc/33/71/37/1377337137.db2.gz TUHYMCDERRSDII-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001266639483 1377355850 /nfs/dbraw/zinc/35/58/50/1377355850.db2.gz AWRXQJBTBIPCGC-UFYCRDLUSA-N 2 0 349.563 3.314 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1 ZINC001266735167 1377369850 /nfs/dbraw/zinc/36/98/50/1377369850.db2.gz IIXPADRKTZEBRV-BGYRXZFFSA-N 2 0 349.563 3.460 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001267089940 1377411732 /nfs/dbraw/zinc/41/17/32/1377411732.db2.gz GWNHRCNJIDBRNV-RTBURBONSA-N 2 0 335.536 3.236 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC2CCCC2)C1 ZINC001267179862 1377425222 /nfs/dbraw/zinc/42/52/22/1377425222.db2.gz SPKQIUJCJUAKCL-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1=CCCCC1 ZINC001267393575 1377444178 /nfs/dbraw/zinc/44/41/78/1377444178.db2.gz LZUKQJXYAKZKOF-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267657679 1377464763 /nfs/dbraw/zinc/46/47/63/1377464763.db2.gz BZMCOTCBJSFDTG-NVXWUHKLSA-N 2 0 342.487 3.083 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)CC1 ZINC001268113870 1377486723 /nfs/dbraw/zinc/48/67/23/1377486723.db2.gz BXSMPNSPRDYLRY-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCCC1)C(=O)C(C)(C)c1cnc[nH]1 ZINC001268493388 1377510215 /nfs/dbraw/zinc/51/02/15/1377510215.db2.gz VRDIRASFEVAXJL-UHFFFAOYSA-N 2 0 348.535 3.486 10 0 EGAERP CCN(C(=O)C[NH+](C)C1CCC1)[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001269331487 1377550747 /nfs/dbraw/zinc/55/07/47/1377550747.db2.gz NGGUSFQFGRKQPC-HXUWFJFHSA-N 2 0 349.563 3.364 10 0 EGAERP CCC1([NH2+]Cc2ccccc2C)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001327474102 1388528734 /nfs/dbraw/zinc/52/87/34/1388528734.db2.gz HDEDWPLJRMNURN-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[NH+]3CCCCC3)[C@@H]2C1 ZINC001279631242 1378317753 /nfs/dbraw/zinc/31/77/53/1378317753.db2.gz WAAZMQNCZBQQJW-FPMVPNIMSA-N 2 0 347.547 3.142 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@]2(CC[N@H+](CCC(C)(C)C)C2)C1 ZINC001327530273 1388551625 /nfs/dbraw/zinc/55/16/25/1388551625.db2.gz NZTVNQARYAOXCP-HXUWFJFHSA-N 2 0 337.552 3.079 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@]3(C2)CCCN(C(=O)CC[NH+](C)C)C3)CC1 ZINC001327530405 1388552675 /nfs/dbraw/zinc/55/26/75/1388552675.db2.gz PPCDTHSTVKKKHP-GRERDSQWSA-N 2 0 349.563 3.079 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)cc1 ZINC001282167580 1378482870 /nfs/dbraw/zinc/48/28/70/1378482870.db2.gz MHNXBWSBZPLWAO-IRXDYDNUSA-N 2 0 345.531 3.106 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)[C@@H](C)NC(=O)CC[NH+]1CCCCC1 ZINC001282240403 1378492886 /nfs/dbraw/zinc/49/28/86/1378492886.db2.gz DDQYSMKJELNBNB-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@]2(CC[NH+](CCC3CCCC3)C2)C1 ZINC001327541237 1388555933 /nfs/dbraw/zinc/55/59/33/1388555933.db2.gz MNKMXVRLJBWAGI-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001282682230 1378555886 /nfs/dbraw/zinc/55/58/86/1378555886.db2.gz ODBDBYHHJQOWOK-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001282834333 1378635458 /nfs/dbraw/zinc/63/54/58/1378635458.db2.gz QELJELYZMIFMQC-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC001282834770 1378636794 /nfs/dbraw/zinc/63/67/94/1378636794.db2.gz VOQYBVGWNFXASN-KSGIUMMHSA-N 2 0 347.547 3.045 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c(C)c1 ZINC001283192399 1378757947 /nfs/dbraw/zinc/75/79/47/1378757947.db2.gz QFWIBYNEHSOLCF-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)CCC[NH2+]CC2CCCC2)CC1 ZINC001283258574 1378774276 /nfs/dbraw/zinc/77/42/76/1378774276.db2.gz BGAJEENFTXFLAR-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCC1 ZINC001283613620 1379054364 /nfs/dbraw/zinc/05/43/64/1379054364.db2.gz YOBJVXZSXQUGAY-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001283624162 1379062046 /nfs/dbraw/zinc/06/20/46/1379062046.db2.gz ZJEUBHSRSKWCPX-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CCCC3CCC3)[C@H]2C1 ZINC001284097721 1379465462 /nfs/dbraw/zinc/46/54/62/1379465462.db2.gz TWUYUIPSXSLFAL-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCCCC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001284553833 1379962473 /nfs/dbraw/zinc/96/24/73/1379962473.db2.gz UGCPLPWOGHPLDY-IBGZPJMESA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H](C[NH2+]CCC1CC1)C(C)(C)C)[NH+]1CCCC1 ZINC001284652598 1380067064 /nfs/dbraw/zinc/06/70/64/1380067064.db2.gz KRQJBAMLUZKITD-MSOLQXFVSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCCC1)C(C)(C)C ZINC001284653444 1380068773 /nfs/dbraw/zinc/06/87/73/1380068773.db2.gz RWNZDDDHLKUYML-SJORKVTESA-N 2 0 325.541 3.027 10 0 EGAERP CCCC[NH2+]C1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001328006678 1388644047 /nfs/dbraw/zinc/64/40/47/1388644047.db2.gz HPTLEMZNQSSTNG-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC(C)([NH2+]C/C=C/c2ccccc2)CC1 ZINC001328040151 1388651794 /nfs/dbraw/zinc/65/17/94/1388651794.db2.gz ZQKLCOVMYNDHPB-DHZHZOJOSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC([NH2+]CCC2CCCCCC2)C1 ZINC001284818730 1380244048 /nfs/dbraw/zinc/24/40/48/1380244048.db2.gz LDJZNQKZQHSRPA-UHFFFAOYSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)CCC[NH+]3CCCC3)CC2)CC1 ZINC001284854329 1380279076 /nfs/dbraw/zinc/27/90/76/1380279076.db2.gz ZQQPTNHNRVGDLN-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)C(=O)/C=C\C1CCCCCC1 ZINC001292583120 1382204423 /nfs/dbraw/zinc/20/44/23/1382204423.db2.gz YIZUSAPWBXJDGR-ODLZTCLXSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)[C@H](CC(C)C)n1ccnc1 ZINC001328731816 1388829454 /nfs/dbraw/zinc/82/94/54/1388829454.db2.gz ALIYARNTJXRFOR-MOPGFXCFSA-N 2 0 346.519 3.359 10 0 EGAERP O=C(Nc1ccc(Nc2cc[nH+]cc2)cc1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001164426094 1383185687 /nfs/dbraw/zinc/18/56/87/1383185687.db2.gz YXWVVJLJBWVEAD-MOPGFXCFSA-N 2 0 336.439 3.203 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H]2CC[NH+](CC=C(C)C)C2)C1 ZINC001328805406 1388871513 /nfs/dbraw/zinc/87/15/13/1388871513.db2.gz FBHYQICKUYHKGX-PMACEKPBSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H]2C[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001316623828 1384489483 /nfs/dbraw/zinc/48/94/83/1384489483.db2.gz JXRAKBGGJAQMRN-PUZFROQSSA-N 2 0 345.531 3.135 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H]1CC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001316661343 1384509857 /nfs/dbraw/zinc/50/98/57/1384509857.db2.gz KTNROGGPKIIPND-IMFGXOCKSA-N 2 0 345.531 3.282 10 0 EGAERP CCCC[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001316679299 1384520554 /nfs/dbraw/zinc/52/05/54/1384520554.db2.gz AVYKBYKWZBMJJV-ROUUACIJSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@H]1C ZINC001316785672 1384580931 /nfs/dbraw/zinc/58/09/31/1384580931.db2.gz FAVQLCOKTNZQAA-OTWHNJEPSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C/C=C/Cl)[NH+](CC)CC ZINC001316804438 1384594189 /nfs/dbraw/zinc/59/41/89/1384594189.db2.gz LCNBRVMQCNTLDY-AGVIVAOSSA-N 2 0 343.943 3.172 10 0 EGAERP CC[N@@H+]1CC[C@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC(C)(C)C1 ZINC001316811885 1384610156 /nfs/dbraw/zinc/61/01/56/1384610156.db2.gz QCOOHJFSGYRIEY-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@@H](C(=O)NCCC[N@@H+](C)CC2CCCCC2)C1 ZINC001316860372 1384646030 /nfs/dbraw/zinc/64/60/30/1384646030.db2.gz XCESDEWEHHYWCS-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCCNC(=O)C[C@H]1CC[NH+](C)C1)CCC1CCCCCC1 ZINC001316860330 1384646293 /nfs/dbraw/zinc/64/62/93/1384646293.db2.gz WQYYPQMYECQONC-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC001316997923 1384754897 /nfs/dbraw/zinc/75/48/97/1384754897.db2.gz HVXSQLUXHSESLW-GNBGVQPESA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCCC1)C1CC1 ZINC001317033132 1384802088 /nfs/dbraw/zinc/80/20/88/1384802088.db2.gz FTTBDPMJXPDWNE-VQTJNVASSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001317045302 1384820408 /nfs/dbraw/zinc/82/04/08/1384820408.db2.gz UNTLJFRCJYOIRS-SFHVURJKSA-N 2 0 339.568 3.325 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCC2)CC[N@@H+]1C ZINC001317186366 1384960788 /nfs/dbraw/zinc/96/07/88/1384960788.db2.gz NSVHIJMOVZWHNR-SLFFLAALSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317194820 1384969041 /nfs/dbraw/zinc/96/90/41/1384969041.db2.gz GPIMRLDCDVZANL-PMACEKPBSA-N 2 0 349.563 3.410 10 0 EGAERP Cn1cncc1CCC(=O)NC1CCC([NH2+]CCCC(C)(C)C)CC1 ZINC001317220721 1385000771 /nfs/dbraw/zinc/00/07/71/1385000771.db2.gz HJZBCVNEGKRZNQ-UHFFFAOYSA-N 2 0 348.535 3.196 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCCC1CCCC1 ZINC001317248078 1385020026 /nfs/dbraw/zinc/02/00/26/1385020026.db2.gz XUINQGUOUZVWBJ-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCC1 ZINC001317264813 1385034638 /nfs/dbraw/zinc/03/46/38/1385034638.db2.gz LRUOTNXHHDPUSF-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001317295502 1385067852 /nfs/dbraw/zinc/06/78/52/1385067852.db2.gz ZLFGQZRSUITGMR-XLIONFOSSA-N 2 0 345.531 3.279 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001317414536 1385124903 /nfs/dbraw/zinc/12/49/03/1385124903.db2.gz ALBYKEYPWLNVRJ-JXYKKQOOSA-N 2 0 343.515 3.059 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416171 1385125807 /nfs/dbraw/zinc/12/58/07/1385125807.db2.gz SOAYCPIXQCLMLO-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@H]1CCCNC(=O)[C@H]1CCC[N@H+]1CC(C)C ZINC001317426041 1385131741 /nfs/dbraw/zinc/13/17/41/1385131741.db2.gz DZLLELCDWNORCD-VQTJNVASSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317530722 1385255754 /nfs/dbraw/zinc/25/57/54/1385255754.db2.gz ZAKGICFCFBWOEE-DXPXIUTNSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1C[N@H+](C[C@H]2CCCC23CCOCC3)CCN1c1cc[nH+]cc1 ZINC001175774465 1385400577 /nfs/dbraw/zinc/40/05/77/1385400577.db2.gz CZLYGZBJSKKGAC-ZWKOTPCHSA-N 2 0 329.488 3.189 10 0 EGAERP C[C@H]1C[N@H+](C[C@@H]2CCCC23CCOCC3)CCN1c1cc[nH+]cc1 ZINC001175774464 1385400628 /nfs/dbraw/zinc/40/06/28/1385400628.db2.gz CZLYGZBJSKKGAC-ROUUACIJSA-N 2 0 329.488 3.189 10 0 EGAERP Cc1ccc(C[N@@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C(C)C)cc1C ZINC001317697624 1385404194 /nfs/dbraw/zinc/40/41/94/1385404194.db2.gz BOFZWTZZICWDGW-HXUWFJFHSA-N 2 0 345.531 3.114 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001317728123 1385427035 /nfs/dbraw/zinc/42/70/35/1385427035.db2.gz CXEMDRRVEGBTPE-PMACEKPBSA-N 2 0 343.515 3.108 10 0 EGAERP CCCN(C(=O)CC[NH+](C)C)[C@H]1CC[N@H+](CC2CCCCCC2)C1 ZINC001317764193 1385455539 /nfs/dbraw/zinc/45/55/39/1385455539.db2.gz WNCKHDNAFAOUAM-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317854381 1385538016 /nfs/dbraw/zinc/53/80/16/1385538016.db2.gz PXDUFGITMDEZFT-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CCC[N@H+](C)CC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001317876720 1385555593 /nfs/dbraw/zinc/55/55/93/1385555593.db2.gz MDUFGFFYIDCENG-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@H]1CC[N@H+](CCC(C)C)C1 ZINC001318484370 1385716200 /nfs/dbraw/zinc/71/62/00/1385716200.db2.gz YDCSEBDKBYYRAU-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)[NH2+]CCC(C)(C)C ZINC001698616550 1406250013 /nfs/dbraw/zinc/25/00/13/1406250013.db2.gz DETAOLMBMFGRAP-QZTJIDSGSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCCC1 ZINC001318637024 1385809062 /nfs/dbraw/zinc/80/90/62/1385809062.db2.gz UOXGKAQNWDXXFT-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001318655284 1385819837 /nfs/dbraw/zinc/81/98/37/1385819837.db2.gz CIDYDNYXGKHEJJ-GOSISDBHSA-N 2 0 335.536 3.236 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001318728353 1385846828 /nfs/dbraw/zinc/84/68/28/1385846828.db2.gz NGQSQIMHTHYQMW-GHTZIAJQSA-N 2 0 347.547 3.093 10 0 EGAERP CC[C@H](CNC(=O)C1CC[NH+](CC2CC2)CC1)[NH2+]CCC(C)(C)C ZINC001698619634 1406255977 /nfs/dbraw/zinc/25/59/77/1406255977.db2.gz XQIXEIPCGQNUAN-GOSISDBHSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2CC)cc1 ZINC001319008745 1385922218 /nfs/dbraw/zinc/92/22/18/1385922218.db2.gz KIRLWWOMKBNDGW-FXAWDEMLSA-N 2 0 345.531 3.313 10 0 EGAERP CCCC[NH2+]Cc1ccc(CNC(=O)[C@@H]2CCCC[N@@H+]2CC)cc1 ZINC001319009101 1385922260 /nfs/dbraw/zinc/92/22/60/1385922260.db2.gz RENVIHSMPIEEGK-IBGZPJMESA-N 2 0 331.504 3.067 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCCC2)CCCC1 ZINC001698626721 1406268611 /nfs/dbraw/zinc/26/86/11/1406268611.db2.gz MORYXOKHYPQECO-GOSISDBHSA-N 2 0 335.536 3.068 10 0 EGAERP c1ccc(NCC[NH2+]Cc2ccc(OCC[NH+]3CCCC3)cc2)cc1 ZINC001177931960 1386087380 /nfs/dbraw/zinc/08/73/80/1386087380.db2.gz FGNJBSVJBNHDJV-UHFFFAOYSA-N 2 0 339.483 3.363 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)C2CC[NH+](CC3CC3)CC2)CCCC1 ZINC001319385387 1386095854 /nfs/dbraw/zinc/09/58/54/1386095854.db2.gz LTAOTQNUQQDPSH-UHFFFAOYSA-N 2 0 347.547 3.093 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC1=CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319622648 1386217016 /nfs/dbraw/zinc/21/70/16/1386217016.db2.gz ZDVBVQZHDFQDHD-VQTJNVASSA-N 2 0 349.563 3.482 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@H]1C ZINC001319689464 1386253353 /nfs/dbraw/zinc/25/33/53/1386253353.db2.gz GGILCLLLGPKOLV-GDBMZVCRSA-N 2 0 337.533 3.050 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)C2CC[NH+](C(C)C)CC2)CCCC1 ZINC001698636381 1406282244 /nfs/dbraw/zinc/28/22/44/1406282244.db2.gz ZPFRVRISWCPXCR-AATRIKPKSA-N 2 0 349.563 3.482 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001319788690 1386296997 /nfs/dbraw/zinc/29/69/97/1386296997.db2.gz RGUCDKQHMXGPJX-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1C[NH2+]CCCC(C)(C)C ZINC001319861563 1386340617 /nfs/dbraw/zinc/34/06/17/1386340617.db2.gz QAIZFXODUSOBTI-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1C[NH2+]CC1=CCCCC1 ZINC001319868268 1386346421 /nfs/dbraw/zinc/34/64/21/1386346421.db2.gz KCMBVOVQGNBVKF-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@H+](CCC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1)CC1=CCCCC1 ZINC001319875634 1386351194 /nfs/dbraw/zinc/35/11/94/1386351194.db2.gz XEGBCHSMHQWMME-FQEVSTJZSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@@H](c1ccc2ccccc2c1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001320043759 1386472896 /nfs/dbraw/zinc/47/28/96/1386472896.db2.gz YYAQRBMNYFTMGW-KRWDZBQOSA-N 2 0 341.499 3.243 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCCC(C)(C)C)C1 ZINC001320114428 1386522031 /nfs/dbraw/zinc/52/20/31/1386522031.db2.gz LBFSYUHVGTUQFD-ROUUACIJSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@H](CC[NH+]2CCC2=CCCCC2)C1 ZINC001320117057 1386524031 /nfs/dbraw/zinc/52/40/31/1386524031.db2.gz WEVBVLIJCVJALN-UXHICEINSA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]2[C@@H](CC[NH+]2CCC2=CCCCC2)C1 ZINC001320117055 1386524296 /nfs/dbraw/zinc/52/42/96/1386524296.db2.gz WEVBVLIJCVJALN-PMACEKPBSA-N 2 0 347.547 3.140 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001320156150 1386539838 /nfs/dbraw/zinc/53/98/38/1386539838.db2.gz WOMPJMCHMRJZJM-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC/C=C/C[NH2+]CCC2=CCCCC2)CC1 ZINC001321314176 1386873223 /nfs/dbraw/zinc/87/32/23/1386873223.db2.gz FBVXJFYDDHIKPN-VOTSOKGWSA-N 2 0 347.547 3.259 10 0 EGAERP CCC[NH2+]CC[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001698676964 1406325050 /nfs/dbraw/zinc/32/50/50/1406325050.db2.gz LLFQFXZFFRAQSH-SFHVURJKSA-N 2 0 345.531 3.033 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001698677539 1406325731 /nfs/dbraw/zinc/32/57/31/1406325731.db2.gz WVQIJAOFYWKGIB-GNAXCBTBSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001321415183 1386896992 /nfs/dbraw/zinc/89/69/92/1386896992.db2.gz CYKCCDMZXDZDRR-IKSUFZCESA-N 2 0 333.520 3.012 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1sccc1C[NH+](C)C ZINC001321533232 1386924166 /nfs/dbraw/zinc/92/41/66/1386924166.db2.gz SULNJXMZPALJEJ-CQSZACIVSA-N 2 0 339.549 3.344 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(C2CCC2)cc1)NC(=O)C[N@H+](C)C1CCC1 ZINC001321542539 1386926990 /nfs/dbraw/zinc/92/69/90/1386926990.db2.gz VSFMSEUGHLEVEK-MRXNPFEDSA-N 2 0 343.515 3.033 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](C)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001321628534 1386944863 /nfs/dbraw/zinc/94/48/63/1386944863.db2.gz YDTIKQSBNGCDMT-PKVWGGKHSA-N 2 0 335.536 3.234 10 0 EGAERP CCc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@H]2CCCC[N@@H+]2C(C)C)cc1 ZINC001321662850 1386953232 /nfs/dbraw/zinc/95/32/32/1386953232.db2.gz KFMHPCVMYJBNRI-YLJYHZDGSA-N 2 0 345.531 3.106 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)c1 ZINC001321895572 1387005095 /nfs/dbraw/zinc/00/50/95/1387005095.db2.gz FLADSAIEXCRWMS-KRWDZBQOSA-N 2 0 345.531 3.242 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CC2=CCCCC2)C1 ZINC001322231181 1387112645 /nfs/dbraw/zinc/11/26/45/1387112645.db2.gz RDUXDSATGKWELF-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CCCCCC1 ZINC001322353052 1387167050 /nfs/dbraw/zinc/16/70/50/1387167050.db2.gz DNXHYLLDONTVAH-OALUTQOASA-N 2 0 337.552 3.173 10 0 EGAERP Cc1cc(C)cc(C[N@@H+](C)[C@@H](C)CNC(=O)C[C@@H](C)n2ccnc2)c1 ZINC001329560547 1389156215 /nfs/dbraw/zinc/15/62/15/1389156215.db2.gz OJWVRFUPBBEBHO-MSOLQXFVSA-N 2 0 342.487 3.088 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[N@H+](C)CC1CCCCC1)[NH+]1CCCC1 ZINC001329622325 1389188136 /nfs/dbraw/zinc/18/81/36/1389188136.db2.gz CVILFRAZHCLDOK-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[NH2+]Cc1ccc(CNC(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)cc1 ZINC001698718991 1406363880 /nfs/dbraw/zinc/36/38/80/1406363880.db2.gz ZFVNJGVCHPDNIX-WOJBJXKFSA-N 2 0 343.515 3.065 10 0 EGAERP C[N@H+](CCC1CCN(c2cc[nH+]cc2)CC1)CC1CCC(O)CC1 ZINC001329876186 1389242430 /nfs/dbraw/zinc/24/24/30/1389242430.db2.gz IJRLWNITHROIDM-UHFFFAOYSA-N 2 0 331.504 3.171 10 0 EGAERP CC(C)=CC[N@H+]1CCCCC[C@H]1CNC(=O)CC1CC[NH+](C)CC1 ZINC001329940218 1389268744 /nfs/dbraw/zinc/26/87/44/1389268744.db2.gz XQAZFAUYFHUSDN-IBGZPJMESA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](NC(=O)CCCC[NH+](C)C)C1C[NH+]([C@@H](C)c2ccccc2F)C1 ZINC001330072384 1389300000 /nfs/dbraw/zinc/30/00/00/1389300000.db2.gz SXWSMJSIHVWOCW-CVEARBPZSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1C[NH+]([C@H](C)c2cccc(F)c2)CC1(C)C ZINC001330261358 1389368723 /nfs/dbraw/zinc/36/87/23/1389368723.db2.gz GFZHTMUJDAYTHX-CRAIPNDOSA-N 2 0 349.494 3.054 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001330512622 1389439357 /nfs/dbraw/zinc/43/93/57/1389439357.db2.gz YQTHXMNHSVDIJB-SFHVURJKSA-N 2 0 349.563 3.079 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001330685719 1389496471 /nfs/dbraw/zinc/49/64/71/1389496471.db2.gz BDYXFCULWCSBEO-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CCC[C@@H](C)NC(=O)C[NH+]1CCCC1 ZINC001330976757 1389584021 /nfs/dbraw/zinc/58/40/21/1389584021.db2.gz LTFCJWIURKJBCS-QZTJIDSGSA-N 2 0 331.504 3.026 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)CCCC[NH+](C)C)CC2 ZINC001698737355 1406388795 /nfs/dbraw/zinc/38/87/95/1406388795.db2.gz CWHGETWOPNRWCK-AATRIKPKSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCC[NH2+][C@@H](C)CN(C)C(=O)c1ccc(-n2ccnc2)cc1 ZINC001331515480 1389778311 /nfs/dbraw/zinc/77/83/11/1389778311.db2.gz GVJRWBXRZZYPHO-INIZCTEOSA-N 2 0 328.460 3.113 10 0 EGAERP CC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1cc2ccccc2s1)[NH+](C)C ZINC001331561547 1389800509 /nfs/dbraw/zinc/80/05/09/1389800509.db2.gz UKIGACDLDQWRDQ-PBHICJAKSA-N 2 0 347.528 3.178 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]CCC(C)(C)C)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001331940792 1389919175 /nfs/dbraw/zinc/91/91/75/1389919175.db2.gz SFVFQHAPNJKMHI-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCCCCF)CN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001332031316 1389952876 /nfs/dbraw/zinc/95/28/76/1389952876.db2.gz KOLKOWUWCQCUKY-APWZRJJASA-N 2 0 349.494 3.081 10 0 EGAERP C[N@H+](CC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CCC(C)(C)C)[C@@H]2C1)C1CCC1 ZINC001332141749 1390005325 /nfs/dbraw/zinc/00/53/25/1390005325.db2.gz SSWDWFYGQXVBFG-UHOSZYNNSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1=CCCCC1 ZINC001332216711 1390047053 /nfs/dbraw/zinc/04/70/53/1390047053.db2.gz FLAZMZPJXHLBBS-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC[C@@H]([NH2+]C[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001698762453 1406416981 /nfs/dbraw/zinc/41/69/81/1406416981.db2.gz UPJCSOYFUPIPKR-PKOBYXMFSA-N 2 0 345.531 3.354 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCCC3)C2)CC1 ZINC001332301307 1390080424 /nfs/dbraw/zinc/08/04/24/1390080424.db2.gz LEIRSIXVXISPHC-ICSRJNTNSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@@H]([NH2+][C@H]1CN(C(=O)CCC[NH+](C)C)CC1(C)C)c1ccccc1F ZINC001332412083 1390109295 /nfs/dbraw/zinc/10/92/95/1390109295.db2.gz ASVCTEXNTRUPLQ-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP CC[C@@H]([NH2+][C@@H]1CN(C(=O)CC[N@H+](C)CC)CC1(C)C)c1ccccc1 ZINC001332436951 1390117103 /nfs/dbraw/zinc/11/71/03/1390117103.db2.gz ISAGZRVEBGMQCZ-RTBURBONSA-N 2 0 345.531 3.306 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)C(C)(C)C1 ZINC001332438350 1390117882 /nfs/dbraw/zinc/11/78/82/1390117882.db2.gz REHLURLLPCVIJQ-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP [NH3+][C@@H]1CCCC[C@@H]1C(=O)NC[C@H](c1ccccc1Cl)[NH+]1CCCC1 ZINC001332507762 1390129507 /nfs/dbraw/zinc/12/95/07/1390129507.db2.gz SWROIASRUMWKRN-CGTJXYLNSA-N 2 0 349.906 3.111 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](C)CNC(=O)CC[NH+](C)C)c1ccc(C(C)(C)C)cc1 ZINC001698766281 1406423079 /nfs/dbraw/zinc/42/30/79/1406423079.db2.gz VGULGXADSCYCEX-IAGOWNOFSA-N 2 0 347.547 3.339 10 0 EGAERP CC[C@@H](C(=O)N(CC[N@H+](C)CC1CCCCCC1)C(C)C)[NH+](C)C ZINC001332732810 1390172497 /nfs/dbraw/zinc/17/24/97/1390172497.db2.gz SKGYDXHKAFIMGH-IBGZPJMESA-N 2 0 339.568 3.466 10 0 EGAERP CC(C)=CC[N@@H+](C)CCN(C(=O)c1ccc(C[NH+](C)C)cc1)C(C)C ZINC001332735877 1390174851 /nfs/dbraw/zinc/17/48/51/1390174851.db2.gz SNYZFXFTIXLUQN-UHFFFAOYSA-N 2 0 345.531 3.497 10 0 EGAERP CCOc1ccc(C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC001332814695 1390193116 /nfs/dbraw/zinc/19/31/16/1390193116.db2.gz CBISIWQTDQKHJC-ZNXRZULTSA-N 2 0 332.488 3.446 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H](C[NH2+]CC(C)C)C(C)(C)C)c1ccccc1 ZINC001332881477 1390207991 /nfs/dbraw/zinc/20/79/91/1390207991.db2.gz JWVCRPVONIZTRI-RTBURBONSA-N 2 0 347.547 3.456 10 0 EGAERP CC/C=C\CC[NH2+]C1CC(N(C)C(=O)c2sccc2C[NH+](C)C)C1 ZINC001333076445 1390245575 /nfs/dbraw/zinc/24/55/75/1390245575.db2.gz YKKWAKHQTAIZEN-SREVYHEPSA-N 2 0 349.544 3.359 10 0 EGAERP CC(C)CC[NH+]1CCC(C2(NC(=O)CC3CC[NH+](C)CC3)CC2)CC1 ZINC001333180126 1390262302 /nfs/dbraw/zinc/26/23/02/1390262302.db2.gz PCXNPQGFZZBZTD-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C2(NC(=O)[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001333192721 1390264324 /nfs/dbraw/zinc/26/43/24/1390264324.db2.gz PYDMQKAFZYJFAN-QWNKOJSDSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2C[C@@H]3[C@H](C2)C3(F)F)CC1 ZINC001333307609 1390280913 /nfs/dbraw/zinc/28/09/13/1390280913.db2.gz OOHVIWKDEGFVGM-BCDXTJNWSA-N 2 0 349.469 3.352 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+]Cc1cccc2ccccc21 ZINC001698779308 1406446257 /nfs/dbraw/zinc/44/62/57/1406446257.db2.gz ZBYUNGPCHAPKOR-KRWDZBQOSA-N 2 0 341.499 3.022 10 0 EGAERP C[NH+](C)CCCOc1ccc(C[NH2+]CCc2ccc(F)cc2)cc1 ZINC001341967831 1390555739 /nfs/dbraw/zinc/55/57/39/1390555739.db2.gz VYUDYORYWHOKMZ-UHFFFAOYSA-N 2 0 330.447 3.489 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1 ZINC001698803354 1406481282 /nfs/dbraw/zinc/48/12/82/1406481282.db2.gz MFCDHUYMDDVMFD-LJQANCHMSA-N 2 0 347.547 3.380 10 0 EGAERP Cc1cc(C[NH+](C)C)ccc1NC(=O)[C@@H]1CC[C@H]2C[C@H](C)C[N@H+]2C1 ZINC001349929904 1391387040 /nfs/dbraw/zinc/38/70/40/1391387040.db2.gz LQMCBKPJWKDSJO-QGTPRVQTSA-N 2 0 329.488 3.116 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](c2cncn2C(C)(C)C)C1 ZINC001353344688 1391992964 /nfs/dbraw/zinc/99/29/64/1391992964.db2.gz IBEILDLRKBCQRG-DLBZAZTESA-N 2 0 346.519 3.219 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001479260357 1392200712 /nfs/dbraw/zinc/20/07/12/1392200712.db2.gz VZOSXUZCMXWNCE-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1C[C@@H](CNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001479307706 1392209529 /nfs/dbraw/zinc/20/95/29/1392209529.db2.gz YJGUSDPHROAJFF-PSUYNTKASA-N 2 0 340.471 3.097 10 0 EGAERP CC(C)(C(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1)[NH+]1CCCC1 ZINC001479384951 1392230290 /nfs/dbraw/zinc/23/02/90/1392230290.db2.gz KTKSDRVXMRTIIR-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001479389389 1392231303 /nfs/dbraw/zinc/23/13/03/1392231303.db2.gz AMYVGIDQAFRHAU-MLYOOKFZSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]2[C@@H]1C(C)(C)[C@H]2NC(=O)CCCC[NH+](C)C ZINC001479609810 1392286230 /nfs/dbraw/zinc/28/62/30/1392286230.db2.gz APJVRFRLBDFQCK-YZGWKJHDSA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC001479693582 1392324437 /nfs/dbraw/zinc/32/44/37/1392324437.db2.gz ZYZXLUQAPZUJFZ-RBUKOAKNSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001479694716 1392325630 /nfs/dbraw/zinc/32/56/30/1392325630.db2.gz RGJOCRGYGDPOKA-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001479695482 1392326148 /nfs/dbraw/zinc/32/61/48/1392326148.db2.gz LYBZBXHOYIHFCG-SFHVURJKSA-N 2 0 325.541 3.268 10 0 EGAERP Cc1cccc([C@H](C)[N@H+](C)C[C@@H]2CCCCN2C(=O)CC[NH+](C)C)c1 ZINC001479737882 1392350234 /nfs/dbraw/zinc/35/02/34/1392350234.db2.gz PGBXHQIGTVRVFV-ICSRJNTNSA-N 2 0 345.531 3.321 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)C[C@@H](C)CC(C)C)[NH+](C)C ZINC001479738034 1392350726 /nfs/dbraw/zinc/35/07/26/1392350726.db2.gz SXTAMZUMEWILRK-FHWLQOOXSA-N 2 0 339.568 3.322 10 0 EGAERP Cc1cccc(C)c1C[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001479776071 1392381423 /nfs/dbraw/zinc/38/14/23/1392381423.db2.gz AYCSLVIBRRJJIO-IBGZPJMESA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)Cc1cccc(F)c1 ZINC001479861242 1392439740 /nfs/dbraw/zinc/43/97/40/1392439740.db2.gz LFADTLVXPIHHJL-CALCHBBNSA-N 2 0 349.494 3.027 10 0 EGAERP CC1CC[NH+](CC(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C2CC2)CC1 ZINC001480054683 1392553041 /nfs/dbraw/zinc/55/30/41/1392553041.db2.gz AIWDSGPVEWJGME-SFHVURJKSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001480122275 1392595320 /nfs/dbraw/zinc/59/53/20/1392595320.db2.gz ZTLXECANAGRIBD-RLWBPELLSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2CCCCC2)C1)[NH+](C)C ZINC001480261774 1392645736 /nfs/dbraw/zinc/64/57/36/1392645736.db2.gz CORIVACYZNNEAQ-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001480294247 1392663373 /nfs/dbraw/zinc/66/33/73/1392663373.db2.gz YIZKQDHRXWXMHL-RTBURBONSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)C12CCC[NH+](CCC1)C2 ZINC001480318314 1392678376 /nfs/dbraw/zinc/67/83/76/1392678376.db2.gz ABGQZJMPQWQUNM-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCc1ccc(C[N@H+]2CCCC[C@@H]2CNC(=O)[C@@H](CC)[NH+](C)C)cc1 ZINC001480333341 1392692972 /nfs/dbraw/zinc/69/29/72/1392692972.db2.gz RGWWJUKNVWWSEQ-WOJBJXKFSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H]2CCCCN2C(=O)CC[NH+](C)C)cc1 ZINC001480358939 1392704322 /nfs/dbraw/zinc/70/43/22/1392704322.db2.gz GVAIBVWGBSJTII-HXUWFJFHSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001480705467 1392868915 /nfs/dbraw/zinc/86/89/15/1392868915.db2.gz QRSYONBURSPAQE-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001480709845 1392872324 /nfs/dbraw/zinc/87/23/24/1392872324.db2.gz GWIPMGZUKAESCQ-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP Cc1c(C(=O)NCC[C@H](C)[NH2+]CCC(C)(C)C)ccc2c[nH+]cn21 ZINC001480776860 1392926412 /nfs/dbraw/zinc/92/64/12/1392926412.db2.gz PZJDRIZVZSTEFA-AWEZNQCLSA-N 2 0 330.476 3.177 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@H]1CCCNC(=O)C[N@@H+](C)C(C)C ZINC001480832581 1392973674 /nfs/dbraw/zinc/97/36/74/1392973674.db2.gz BWNJOUUDDHGWMU-HXUWFJFHSA-N 2 0 345.531 3.196 10 0 EGAERP CC[N@H+](CCNC(=O)C1CC[NH+](CC2CC2)CC1)CC1=CCCCC1 ZINC001481011295 1393088635 /nfs/dbraw/zinc/08/86/35/1393088635.db2.gz WFIREUFIPDYQPW-UHFFFAOYSA-N 2 0 347.547 3.047 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NC[C@@H]2CCC[NH+]2CC2CCC(C)(C)CC2)C1 ZINC001481059978 1393109310 /nfs/dbraw/zinc/10/93/10/1393109310.db2.gz XDOSOKRVAAQPRA-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001481096955 1393118531 /nfs/dbraw/zinc/11/85/31/1393118531.db2.gz ZRWAQFCMNSJTFI-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+][C@@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001481341372 1393168221 /nfs/dbraw/zinc/16/82/21/1393168221.db2.gz GYUUYENRXBLCDD-ZWKOTPCHSA-N 2 0 345.531 3.224 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@@H](C[NH2+]CCC2CCCC2)C2CCCCC2)C1 ZINC001698884404 1406616776 /nfs/dbraw/zinc/61/67/76/1406616776.db2.gz LTLQPCOHHHLOGM-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CC1)C1CCCCC1)[NH+]1CCCC1 ZINC001698885192 1406618644 /nfs/dbraw/zinc/61/86/44/1406618644.db2.gz JLQMOVLVJXRPPU-PMACEKPBSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C[C@H]1C ZINC001698895997 1406629009 /nfs/dbraw/zinc/62/90/09/1406629009.db2.gz WPYFQVOGSGLYRD-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC(C)(C)C ZINC001481390649 1394230930 /nfs/dbraw/zinc/23/09/30/1394230930.db2.gz MGXNMPMRNFWYAU-CADBVGFASA-N 2 0 349.563 3.361 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001481433428 1394289521 /nfs/dbraw/zinc/28/95/21/1394289521.db2.gz VDARRYQOQQQLJD-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H]1CCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001490764393 1394326260 /nfs/dbraw/zinc/32/62/60/1394326260.db2.gz VMZBCYBSISZUEL-VZSQWMKGSA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001481536801 1394395955 /nfs/dbraw/zinc/39/59/55/1394395955.db2.gz NBGZUJGUDJCCIU-HEVSSNLLSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)[NH+]1CCCCC1 ZINC001491082772 1394422662 /nfs/dbraw/zinc/42/26/62/1394422662.db2.gz LROHMTFUFFULSK-ZCNNSNEGSA-N 2 0 347.547 3.234 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001481678340 1394444294 /nfs/dbraw/zinc/44/42/94/1394444294.db2.gz KPZVELJGUCXFKL-FHWLQOOXSA-N 2 0 335.536 3.116 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@]23CC[NH+](C2)CCC3)C1 ZINC001491129959 1394444658 /nfs/dbraw/zinc/44/46/58/1394444658.db2.gz VVSPGHVUKUZWGM-CFQKCQFKSA-N 2 0 347.547 3.047 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@@H]1CC[N@H+](CCC2CCCCC2)C1 ZINC001481710128 1394468622 /nfs/dbraw/zinc/46/86/22/1394468622.db2.gz BEDWVNARSUFGTJ-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC1CCCC1 ZINC001491253322 1394492372 /nfs/dbraw/zinc/49/23/72/1394492372.db2.gz NDWDEDUPVZZIMQ-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)CC[NH+]2CCCCC2)cc1 ZINC001491683787 1394526012 /nfs/dbraw/zinc/52/60/12/1394526012.db2.gz UNUXLUNGXQDPDQ-SFHVURJKSA-N 2 0 345.531 3.280 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001481989046 1394650122 /nfs/dbraw/zinc/65/01/22/1394650122.db2.gz WQDIJNVDTVLDFK-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](c1cccc(F)c1)[NH+]1CCC(CCNC(=O)CC[NH+](C)C)CC1 ZINC001482045326 1394707037 /nfs/dbraw/zinc/70/70/37/1394707037.db2.gz FGRPONGQKYWGSW-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)C2(C[NH+](C)C)CCCCC2)CCCC1 ZINC001482226450 1394820614 /nfs/dbraw/zinc/82/06/14/1394820614.db2.gz YLVAFCWBRHRPCG-UHFFFAOYSA-N 2 0 349.563 3.483 10 0 EGAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)c2cccc(C[NH+](C)C)c2)CCCC1 ZINC001482238263 1394834343 /nfs/dbraw/zinc/83/43/43/1394834343.db2.gz LWDNDUJCCCJEIN-MRXNPFEDSA-N 2 0 349.494 3.129 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1([NH2+]CC2CC(C)(C)C2)CCCC1 ZINC001482238777 1394834655 /nfs/dbraw/zinc/83/46/55/1394834655.db2.gz WUXPRUYOGGVUQC-IRXDYDNUSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](CC(C)C)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001482385207 1394945978 /nfs/dbraw/zinc/94/59/78/1394945978.db2.gz HIGQRKCQIXKBKU-QUCCMNQESA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001482500751 1395053468 /nfs/dbraw/zinc/05/34/68/1395053468.db2.gz JODDMKUHJZXVNZ-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)CC[C@H]3CCC[NH+]3C)C2)C1 ZINC001483843619 1395109656 /nfs/dbraw/zinc/10/96/56/1395109656.db2.gz WEMQTYWCMYZORK-CTNGQTDRSA-N 2 0 349.563 3.221 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001483846956 1395113860 /nfs/dbraw/zinc/11/38/60/1395113860.db2.gz KLYURENAJWGVHQ-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](C(C)C)[NH+]3CCCC3)C2)C1 ZINC001483848823 1395115423 /nfs/dbraw/zinc/11/54/23/1395115423.db2.gz VYBQRRFSHCMBPX-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CCC[NH+]1CCCCC1 ZINC001483914009 1395142403 /nfs/dbraw/zinc/14/24/03/1395142403.db2.gz LNWCLTFWRFIEMP-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C1CCCC1 ZINC001484001724 1395179191 /nfs/dbraw/zinc/17/91/91/1395179191.db2.gz RXOVCLPUWGFVFC-MOPGFXCFSA-N 2 0 335.536 3.066 10 0 EGAERP C[C@@H](C(=O)N[C@]1(C)CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001484060941 1395224954 /nfs/dbraw/zinc/22/49/54/1395224954.db2.gz NDXQZXMBXSJKDX-FXAWDEMLSA-N 2 0 335.536 3.022 10 0 EGAERP CC1CCC(C[N@@H+]2CC[C@](C)(NC(=O)CC[NH+]3CCCCC3)C2)CC1 ZINC001484070544 1395232667 /nfs/dbraw/zinc/23/26/67/1395232667.db2.gz HSRSBZWJHAPBCQ-GRERDSQWSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@](C)(C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001484122522 1395264560 /nfs/dbraw/zinc/26/45/60/1395264560.db2.gz SGLCBCWRDILNGP-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(CNC(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001484138910 1395275348 /nfs/dbraw/zinc/27/53/48/1395275348.db2.gz RHARJNWJAIWPHO-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2CC1=CCCCC1 ZINC001484391197 1395360688 /nfs/dbraw/zinc/36/06/88/1395360688.db2.gz NEJIQPJBQAHVCU-ACDBMABISA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H](c1ccccc1)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[NH+](C)C)C2 ZINC001484391306 1395361319 /nfs/dbraw/zinc/36/13/19/1395361319.db2.gz OOHLLSRGVGILBL-IZBJGVDFSA-N 2 0 343.515 3.059 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001484397627 1395367928 /nfs/dbraw/zinc/36/79/28/1395367928.db2.gz LJLDTKJTIWZOES-ZJOUEHCJSA-N 2 0 349.563 3.175 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@H]2[C@@H]1CC[N@@H+]2CC1CCCC1)[NH+](CC)CC ZINC001484463435 1395396963 /nfs/dbraw/zinc/39/69/63/1395396963.db2.gz JPGJLCXIWWLKLW-AABGKKOBSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@@H](F)CC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCC1 ZINC001484641026 1395458886 /nfs/dbraw/zinc/45/88/86/1395458886.db2.gz MIOUDPHSNHJNDN-OAHLLOKOSA-N 2 0 341.515 3.016 10 0 EGAERP CCC1([NH2+]CC2CC2)CCN(C(=O)c2sccc2C[NH+](C)C)CC1 ZINC001484810670 1395546448 /nfs/dbraw/zinc/54/64/48/1395546448.db2.gz HOLMQYMVRIDHFH-UHFFFAOYSA-N 2 0 349.544 3.194 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@]2(CC[NH+](CCCC3CCC3)C2)C1 ZINC001484829627 1395567375 /nfs/dbraw/zinc/56/73/75/1395567375.db2.gz HMBKCMBQOIHNPQ-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCCC(C)(C)C ZINC001485194315 1395699268 /nfs/dbraw/zinc/69/92/68/1395699268.db2.gz OLWMAAXUSSFMIR-HOTGVXAUSA-N 2 0 327.557 3.273 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)[C@@H](C)[NH2+]CC2=CCCCC2)CC1 ZINC001485209659 1395707184 /nfs/dbraw/zinc/70/71/84/1395707184.db2.gz XYOBSBQAGNTONG-IAGOWNOFSA-N 2 0 335.536 3.090 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCC1CCCCC1 ZINC001485336787 1395809452 /nfs/dbraw/zinc/80/94/52/1395809452.db2.gz OPGZOZJUBKPRPC-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+](C)[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001485336455 1395809662 /nfs/dbraw/zinc/80/96/62/1395809662.db2.gz KREFCUYBWVHINA-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)C[NH2+][C@H](CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C)C(C)C ZINC001485436849 1395903934 /nfs/dbraw/zinc/90/39/34/1395903934.db2.gz ADYSKZQZLYEYMM-RTBURBONSA-N 2 0 339.568 3.368 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]1CCCCC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001485486701 1395972143 /nfs/dbraw/zinc/97/21/43/1395972143.db2.gz ZUBSETZOQYBYAW-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCC3CC3)CC2(C)C)CCCCC1 ZINC001485573317 1396040824 /nfs/dbraw/zinc/04/08/24/1396040824.db2.gz XQXOKUOXVSRXLY-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3([NH+](C)C)CCC3)C[C@@]2(C)C1 ZINC001485667995 1396097033 /nfs/dbraw/zinc/09/70/33/1396097033.db2.gz BKBMCTPLWGTBCC-BGYRXZFFSA-N 2 0 349.563 3.077 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1CCCCC1)NC(=O)C1CC[NH+](C)CC1 ZINC001485736346 1396123922 /nfs/dbraw/zinc/12/39/22/1396123922.db2.gz OGALGMMRZAMJEE-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CC1CC1 ZINC001485788732 1396154058 /nfs/dbraw/zinc/15/40/58/1396154058.db2.gz ISXNKAKZJZNBOK-UXHICEINSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C/Cl ZINC001485789872 1396154700 /nfs/dbraw/zinc/15/47/00/1396154700.db2.gz BHJJNKQPXGDFJR-PFSJMHODSA-N 2 0 343.943 3.124 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@H]([NH2+]CC2CCCCCC2)C(C)(C)C1 ZINC001486240383 1396187607 /nfs/dbraw/zinc/18/76/07/1396187607.db2.gz LHUQELLEVBPEFI-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@@H](C)c2cccc(C)c2)C(C)(C)C1 ZINC001486247121 1396188860 /nfs/dbraw/zinc/18/88/60/1396188860.db2.gz YMKLSOZWFHNOKS-PKOBYXMFSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001501232614 1396190338 /nfs/dbraw/zinc/19/03/38/1396190338.db2.gz KVPDKEDCJTUGDX-SLFFLAALSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1C ZINC001503200413 1396247422 /nfs/dbraw/zinc/24/74/22/1396247422.db2.gz KNBCFDSXXSIJGQ-ICSRJNTNSA-N 2 0 345.531 3.161 10 0 EGAERP CCC[N@H+](CC)CC1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001505401312 1396289217 /nfs/dbraw/zinc/28/92/17/1396289217.db2.gz YYFMRXCWTLGVJG-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001491965974 1396301456 /nfs/dbraw/zinc/30/14/56/1396301456.db2.gz WIEQAXOCDGIDGO-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001492092605 1396303923 /nfs/dbraw/zinc/30/39/23/1396303923.db2.gz XDWLCHVDEVCXKK-MJGOQNOKSA-N 2 0 335.536 3.234 10 0 EGAERP C[NH+](C)CC1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CC2)CCCCC1 ZINC001492164299 1396310726 /nfs/dbraw/zinc/31/07/26/1396310726.db2.gz VLKTZDUZANDEAS-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCCCC2)CC1 ZINC001492167510 1396311512 /nfs/dbraw/zinc/31/15/12/1396311512.db2.gz TVFQAZAHJJGKEQ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NCC[N@H+](C)CC1CC2(CCC2)C1 ZINC001492276108 1396317852 /nfs/dbraw/zinc/31/78/52/1396317852.db2.gz JNKGYGYUTBDJAW-UHFFFAOYSA-N 2 0 349.544 3.052 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001494250632 1396409773 /nfs/dbraw/zinc/40/97/73/1396409773.db2.gz HXQHTUUSRXWNHN-RJCMGOLDSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1cc(C)cc(C[NH+](C)CCN(C)C(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c1 ZINC001699004006 1406821409 /nfs/dbraw/zinc/82/14/09/1406821409.db2.gz KROCMVCQLQEGNH-KDURUIRLSA-N 2 0 345.531 3.066 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001494877458 1396505336 /nfs/dbraw/zinc/50/53/36/1396505336.db2.gz UCUFKIWAIIVZKQ-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(Cl)cc1 ZINC001497585868 1396770949 /nfs/dbraw/zinc/77/09/49/1396770949.db2.gz NOKSHUMYPOVXJX-INUTWKSMSA-N 2 0 349.906 3.003 10 0 EGAERP CC[C@@H](C(=O)NC/C=C\C[NH2+]Cc1ccc(C(C)(C)C)cc1)[NH+](C)C ZINC001497726862 1396802380 /nfs/dbraw/zinc/80/23/80/1396802380.db2.gz JWUBLSKTCKVXKM-QWUACUGRSA-N 2 0 345.531 3.086 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001689052571 1396848091 /nfs/dbraw/zinc/84/80/91/1396848091.db2.gz OAEQCNBCWDABCU-AZUAARDMSA-N 2 0 345.531 3.054 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@@H]1C[NH2+]CC1=CCCCC1)C1CCC1 ZINC001498485364 1397030467 /nfs/dbraw/zinc/03/04/67/1397030467.db2.gz MCXRDVYNVLEDBJ-QUCCMNQESA-N 2 0 347.547 3.236 10 0 EGAERP CC[C@@H](C(=O)N1CCCC[C@H]1C[N@H+](C)CCC1CCCC1)[NH+](C)C ZINC001689352255 1403683011 /nfs/dbraw/zinc/68/30/11/1403683011.db2.gz AFHNJRWDYFUOGF-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](CCCNC(=O)c1cccc2nccn21)[C@@H]1CCc2ccccc21 ZINC001689815293 1404154736 /nfs/dbraw/zinc/15/47/36/1404154736.db2.gz KHNVEVRLLOOCLC-GOSISDBHSA-N 2 0 348.450 3.074 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)C1CC[NH+](CCCC2CCCC2)CC1 ZINC001690030972 1404270666 /nfs/dbraw/zinc/27/06/66/1404270666.db2.gz RCAJIVDQOPAWGM-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C[NH+](C)CCC2CC2)C1 ZINC001690191741 1404396193 /nfs/dbraw/zinc/39/61/93/1404396193.db2.gz ZGTHBCZIVZUKLH-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)C[NH+]2CC[C@H](C)C2)C1 ZINC001690194699 1404401607 /nfs/dbraw/zinc/40/16/07/1404401607.db2.gz MCIUCYYZFMROEH-ZBWOGFRMSA-N 2 0 349.563 3.245 10 0 EGAERP CCCCCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001690215152 1404423230 /nfs/dbraw/zinc/42/32/30/1404423230.db2.gz DJIFNZHIGRWWCP-WCIQWLHISA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001690295229 1404455490 /nfs/dbraw/zinc/45/54/90/1404455490.db2.gz OUMVJVMMZGVKBO-APFONOGVSA-N 2 0 335.536 3.090 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CCCCC3)CC[C@@H]21 ZINC001690317899 1404475356 /nfs/dbraw/zinc/47/53/56/1404475356.db2.gz MIJLJIVUDFPHMD-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@H](CNC(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001690383728 1404515478 /nfs/dbraw/zinc/51/54/78/1404515478.db2.gz VJLDEKKMAWQUDL-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001690390773 1404528610 /nfs/dbraw/zinc/52/86/10/1404528610.db2.gz UMUMKQDIAMOXCE-LJQANCHMSA-N 2 0 345.531 3.380 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001690413805 1404545806 /nfs/dbraw/zinc/54/58/06/1404545806.db2.gz KYYFMQKSQWPDSP-NVXWUHKLSA-N 2 0 342.487 3.131 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001690418872 1404548317 /nfs/dbraw/zinc/54/83/17/1404548317.db2.gz ZQGWGHUBWOWGQA-LJQANCHMSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCC[C@@H]1CNC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001690446079 1404569508 /nfs/dbraw/zinc/56/95/08/1404569508.db2.gz JYQONEOKFOCYHJ-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]([C@H](C)NC(=O)CCC[NH+]2CCCC2)C1 ZINC001690505462 1404618393 /nfs/dbraw/zinc/61/83/93/1404618393.db2.gz SSBZEFNEAPSVHA-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]Cc2ccc(F)cc2)CC1 ZINC001690544149 1404628385 /nfs/dbraw/zinc/62/83/85/1404628385.db2.gz ASUIIBCTRMJJIN-UHFFFAOYSA-N 2 0 349.494 3.075 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH2+]Cc1ccccc1C1CC1 ZINC001690574912 1404637424 /nfs/dbraw/zinc/63/74/24/1404637424.db2.gz KMZGXZBJJPHLRF-UZLBHIALSA-N 2 0 343.515 3.031 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCC[C@H]([NH2+]CCC2CCCCCC2)C1 ZINC001690780752 1404728934 /nfs/dbraw/zinc/72/89/34/1404728934.db2.gz LIRLZEZNZUQTJZ-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]CC1CCCCC1 ZINC001690850205 1404776335 /nfs/dbraw/zinc/77/63/35/1404776335.db2.gz TUJXSKQXTGIUPT-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[N@@H+]1CCC[C@H]1CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC001690901970 1404810513 /nfs/dbraw/zinc/81/05/13/1404810513.db2.gz MLFQHSDMSGOXAE-GOSISDBHSA-N 2 0 335.536 3.023 10 0 EGAERP Cc1ccc(C[N@H+]2CCC[C@H]2CCCNC(=O)CC[NH+](C)C)cc1C ZINC001690907764 1404817550 /nfs/dbraw/zinc/81/75/50/1404817550.db2.gz PNNCGKWGNDKLQY-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC[C@H](C)C[NH2+][C@H](C)C1CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001732000998 1428211746 /nfs/dbraw/zinc/21/17/46/1428211746.db2.gz PNTXHRCUXROIHB-DLBZAZTESA-N 2 0 339.568 3.227 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H]1CN(C)C(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001691048174 1404961458 /nfs/dbraw/zinc/96/14/58/1404961458.db2.gz NBMRIQYUFYRRQB-GOSISDBHSA-N 2 0 335.536 3.138 10 0 EGAERP CCC[N@H+](C)CCC(=O)NC[C@H]1CCC[NH+]1CC1CCC(C)CC1 ZINC001691105473 1405044857 /nfs/dbraw/zinc/04/48/57/1405044857.db2.gz CTHMGBWNVBPTEG-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2=CCCCC2)C1 ZINC001691232111 1405171480 /nfs/dbraw/zinc/17/14/80/1405171480.db2.gz NYODFKZPNBGOAF-XUVXKRRUSA-N 2 0 347.547 3.236 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C[C@H]1C)CC[NH+](CC=C(C)C)CC2 ZINC001691277231 1405189113 /nfs/dbraw/zinc/18/91/13/1405189113.db2.gz TVYYJNHQLJPTRZ-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001691304995 1405199092 /nfs/dbraw/zinc/19/90/92/1405199092.db2.gz IUJCMDKELQCCBV-QUCCMNQESA-N 2 0 349.563 3.291 10 0 EGAERP C[C@@H]1CCN(C(=O)[C@H]2CC[N@H+](C)C2)[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001691382153 1405221255 /nfs/dbraw/zinc/22/12/55/1405221255.db2.gz JPNFBEFJWJULGT-HOJAQTOUSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]([NH2+][C@@H](C)C1CCN(C(=O)CC[NH+](C)C)CC1)c1ccccc1 ZINC001691678646 1405413333 /nfs/dbraw/zinc/41/33/33/1405413333.db2.gz OLNBUUSIIKBZOR-FXAWDEMLSA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001691692453 1405426942 /nfs/dbraw/zinc/42/69/42/1405426942.db2.gz PGHRHFRDMKYPOE-MSOLQXFVSA-N 2 0 339.568 3.226 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]([NH2+]CC2CCCC2)c2ccccc2)CCC1 ZINC001691787065 1405495899 /nfs/dbraw/zinc/49/58/99/1405495899.db2.gz JRNCILHMQUTWNG-LJQANCHMSA-N 2 0 343.515 3.108 10 0 EGAERP C[C@H]([NH2+][C@@H](CNC(=O)CC[NH+](C)C)c1ccccc1)c1ccccc1 ZINC001691793358 1405503194 /nfs/dbraw/zinc/50/31/94/1405503194.db2.gz VKNAARXMMRHLMR-PXNSSMCTSA-N 2 0 339.483 3.146 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC[C@@H]1CC[NH+](CCC2CCCC2)C1 ZINC001691893336 1405615475 /nfs/dbraw/zinc/61/54/75/1405615475.db2.gz PAKUSMZMPTWWDN-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001691924368 1405655871 /nfs/dbraw/zinc/65/58/71/1405655871.db2.gz AHFYHMKKSGFKLM-IPMKNSEASA-N 2 0 337.552 3.170 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1CC[C@@H]([NH2+]CCCC2CCC2)C1 ZINC001691955579 1405673934 /nfs/dbraw/zinc/67/39/34/1405673934.db2.gz ZJBYVGFUSYSPSL-XUVXKRRUSA-N 2 0 349.563 3.316 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001691961258 1405678708 /nfs/dbraw/zinc/67/87/08/1405678708.db2.gz HBGHMVWZUSPAIA-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691961357 1405678932 /nfs/dbraw/zinc/67/89/32/1405678932.db2.gz IREDPWTWUIVNPY-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001692125792 1405786470 /nfs/dbraw/zinc/78/64/70/1405786470.db2.gz ZKZZZTKUWIVZKV-FHWLQOOXSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001692150867 1405804515 /nfs/dbraw/zinc/80/45/15/1405804515.db2.gz GMHQYVJGBOLAFH-VQTJNVASSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H](c1cccc(F)c1)[N@@H+]1CCC[C@H](NC(=O)CCCC[NH+](C)C)C1 ZINC001692157551 1405808891 /nfs/dbraw/zinc/80/88/91/1405808891.db2.gz NWUHCDADKMCBRK-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCC1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001692349347 1405967388 /nfs/dbraw/zinc/96/73/88/1405967388.db2.gz AKOXURONQXWSPI-IRXDYDNUSA-N 2 0 349.563 3.124 10 0 EGAERP CN(C(=O)C12CCC[NH+](CCC1)C2)[C@H]1CC[N@H+](CCCC(C)(C)C)C1 ZINC001698561986 1406162597 /nfs/dbraw/zinc/16/25/97/1406162597.db2.gz HWSDUFWJMCECQR-SFHVURJKSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698569913 1406173840 /nfs/dbraw/zinc/17/38/40/1406173840.db2.gz BKAPCRUUTUHJIZ-YJJPMGAVSA-N 2 0 343.515 3.251 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@H](N(C)C(=O)CCCC[NH+](C)C)C2)cc1C ZINC001698573188 1406179621 /nfs/dbraw/zinc/17/96/21/1406179621.db2.gz LAYQHYWDDZPUET-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP CC(C)[NH2+][C@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001732017873 1428234173 /nfs/dbraw/zinc/23/41/73/1428234173.db2.gz OYVBMFUSFZZGSR-NSISKUIASA-N 2 0 345.531 3.306 10 0 EGAERP CCCN(C(=O)C[NH+](C)CCC)[C@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001732042098 1428273337 /nfs/dbraw/zinc/27/33/37/1428273337.db2.gz YTPCGHWFMKDTOR-KRWDZBQOSA-N 2 0 325.541 3.077 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001732071363 1428319764 /nfs/dbraw/zinc/31/97/64/1428319764.db2.gz MAIRYWSQQVNGSU-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001732078977 1428331623 /nfs/dbraw/zinc/33/16/23/1428331623.db2.gz BSGHHXFZLIVGKH-RBUKOAKNSA-N 2 0 345.531 3.260 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222834 1428471600 /nfs/dbraw/zinc/47/16/00/1428471600.db2.gz KWZXFRJRAYBYRE-RBUKOAKNSA-N 2 0 349.494 3.073 10 0 EGAERP CC[C@@H](C(=O)NC1(C[NH2+]CCC2=CCCCC2)CCCC1)[NH+](C)C ZINC001732234886 1428481321 /nfs/dbraw/zinc/48/13/21/1428481321.db2.gz QWGGNMRLNKDHEC-SFHVURJKSA-N 2 0 335.536 3.236 10 0 EGAERP C[N@H+](CC(=O)N[C@@](C)(C[NH2+]CCC(C)(C)C)C1CC1)CC(C)(C)C ZINC001732247049 1428490554 /nfs/dbraw/zinc/49/05/54/1428490554.db2.gz IMCMOJTZBMJDOZ-FQEVSTJZSA-N 2 0 339.568 3.275 10 0 EGAERP CCC(CC)C[NH2+]CCC1CCN(C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001732296541 1428518132 /nfs/dbraw/zinc/51/81/32/1428518132.db2.gz QAUSXRLDLYRNMF-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC(C)(C)C)CC2)CC1 ZINC001732309896 1428523495 /nfs/dbraw/zinc/52/34/95/1428523495.db2.gz IUPGBDBQYZGIEY-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001732325367 1428534108 /nfs/dbraw/zinc/53/41/08/1428534108.db2.gz QNJIBVPHZUAOPL-HDICACEKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CCCC1 ZINC001732395508 1428563144 /nfs/dbraw/zinc/56/31/44/1428563144.db2.gz PYQFJVNYRVNRBC-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[NH2+]C[C@@H](NC(=O)[C@H](C(C)C)[NH+]1CCCC1)C1CCCCC1 ZINC001732481391 1428606085 /nfs/dbraw/zinc/60/60/85/1428606085.db2.gz ZVGKWXXJXGWCOG-MOPGFXCFSA-N 2 0 337.552 3.170 10 0 EGAERP Cc1cccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)C[C@@H]2C)c1 ZINC001732495998 1428618030 /nfs/dbraw/zinc/61/80/30/1428618030.db2.gz PIACZIVWLNBRQB-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP CCCCC[NH2+][C@@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001732497819 1428619739 /nfs/dbraw/zinc/61/97/39/1428619739.db2.gz FKUCBVPTONRJQJ-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732530102 1428650428 /nfs/dbraw/zinc/65/04/28/1428650428.db2.gz GFPVLOMAJIBSFD-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1ccccc1F)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699200270 1412569543 /nfs/dbraw/zinc/56/95/43/1412569543.db2.gz CZGIYSVUIYBGGL-BBWFWOEESA-N 2 0 349.494 3.055 10 0 EGAERP Cc1c(C(=O)NC/C=C/C[NH2+]C[C@@H](C)CC(C)C)ccc2c[nH+]cn21 ZINC001699278225 1412611692 /nfs/dbraw/zinc/61/16/92/1412611692.db2.gz VSDXDLOWDANHJG-JFDDCEBESA-N 2 0 342.487 3.201 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C\CNC(=O)[C@@H]2CC[N@H+](C)C2)cc1 ZINC001699343156 1412652647 /nfs/dbraw/zinc/65/26/47/1412652647.db2.gz YNOFQXKCNSADMM-RSLBVYTFSA-N 2 0 343.515 3.085 10 0 EGAERP CC(C)(C)C1CCC(C[NH2+]C/C=C/CNC(=O)C[NH+]2CCCC2)CC1 ZINC001699362257 1412669089 /nfs/dbraw/zinc/66/90/89/1412669089.db2.gz KPFPYIKNPFJRMI-SNAWJCMRSA-N 2 0 349.563 3.197 10 0 EGAERP C[C@@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001699405703 1412719006 /nfs/dbraw/zinc/71/90/06/1412719006.db2.gz HHJAZMKYLJZGLP-LPHOPBHVSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)C1 ZINC001699416821 1412730350 /nfs/dbraw/zinc/73/03/50/1412730350.db2.gz MXMWESHQDNGWAP-DLBZAZTESA-N 2 0 325.541 3.029 10 0 EGAERP CCc1ccccc1C[N@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699452030 1412793446 /nfs/dbraw/zinc/79/34/46/1412793446.db2.gz AGFOJGPYMHRVTQ-KRWDZBQOSA-N 2 0 345.531 3.060 10 0 EGAERP Cc1c(C(=O)N(C)CCC[NH2+]CCCC2CCC2)ccc2c[nH+]cn21 ZINC001699520543 1412903579 /nfs/dbraw/zinc/90/35/79/1412903579.db2.gz JWVREYRZDDIHLU-UHFFFAOYSA-N 2 0 342.487 3.275 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC1CC[NH+](C)CC1)c1ccc(F)cc1 ZINC001699539625 1412913477 /nfs/dbraw/zinc/91/34/77/1412913477.db2.gz RJTRCQAMBFPATO-MRXNPFEDSA-N 2 0 349.494 3.057 10 0 EGAERP O=C(N[C@H](C[NH2+]CC1CCC1)C1CC1)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001699590110 1412948029 /nfs/dbraw/zinc/94/80/29/1412948029.db2.gz SYYMMEOFUPJMMS-UXHICEINSA-N 2 0 347.547 3.068 10 0 EGAERP C[C@H](c1ccc2ccccc2c1)[N@@H+]1CC[C@H]1CNC(=O)CC[NH+](C)C ZINC001699633431 1413005900 /nfs/dbraw/zinc/00/59/00/1413005900.db2.gz MSHMUSCBCCCAEW-UZLBHIALSA-N 2 0 339.483 3.043 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C2(CNC(=O)[C@H]3CC[N@H+](C)C3)CC2)cc1 ZINC001699671049 1413060865 /nfs/dbraw/zinc/06/08/65/1413060865.db2.gz BWJJSQSIXSVTST-LPHOPBHVSA-N 2 0 343.515 3.061 10 0 EGAERP CCC/C=C\CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)CC[NH+](C)C ZINC001699681573 1413075646 /nfs/dbraw/zinc/07/56/46/1413075646.db2.gz QWNJWTGSLGVYQX-FUVPAVLMSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)C3([NH+](C)C)CCC3)C2)C1 ZINC001699694673 1413102994 /nfs/dbraw/zinc/10/29/94/1413102994.db2.gz GPONDJWNIZNABO-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001699742541 1413153253 /nfs/dbraw/zinc/15/32/53/1413153253.db2.gz HJRJTOACCABYEN-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(N1CCC[C@H]1C[NH2+]CCC1=CCCCC1)C12CCC[NH+]1CCC2 ZINC001699754221 1413161470 /nfs/dbraw/zinc/16/14/70/1413161470.db2.gz VQLDAWRFZKASAX-IBGZPJMESA-N 2 0 345.531 3.086 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+][C@H](C)c1ccccc1)C1CCCC1 ZINC001699800107 1413210764 /nfs/dbraw/zinc/21/07/64/1413210764.db2.gz QPZIGLKRIOWMME-YLJYHZDGSA-N 2 0 345.531 3.352 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@H](CC[NH2+]CCC2CC2)C1 ZINC001700068954 1413484757 /nfs/dbraw/zinc/48/47/57/1413484757.db2.gz IQDYCZWXHGWVGB-SFHVURJKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@H+](C)CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC001732550395 1428731108 /nfs/dbraw/zinc/73/11/08/1428731108.db2.gz PNEPQGXXPLSINE-UHFFFAOYSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@H](CC[NH2+]CC3CCCC3)C2)CC1 ZINC001700082085 1413495199 /nfs/dbraw/zinc/49/51/99/1413495199.db2.gz VJKDVNMVJMMBSF-IBGZPJMESA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH2+][C@@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001700094191 1413508548 /nfs/dbraw/zinc/50/85/48/1413508548.db2.gz GZDXVZVAHHMSLP-SJORKVTESA-N 2 0 345.531 3.341 10 0 EGAERP CC(C)[C@@H](C(=O)NCc1ccc([C@@H](C)[NH2+]CCF)cc1)[NH+]1CCCC1 ZINC001700100525 1413517558 /nfs/dbraw/zinc/51/75/58/1413517558.db2.gz VRTGSFQWEUDONA-APWZRJJASA-N 2 0 349.494 3.043 10 0 EGAERP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001700189839 1413617126 /nfs/dbraw/zinc/61/71/26/1413617126.db2.gz FYTIQVQPJGIDAU-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001700192826 1413624462 /nfs/dbraw/zinc/62/44/62/1413624462.db2.gz CSLRFHQIPIRPKT-WOJBJXKFSA-N 2 0 347.547 3.284 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700193947 1413629061 /nfs/dbraw/zinc/62/90/61/1413629061.db2.gz NPVYMVQTXJYQQN-UHFFFAOYSA-N 2 0 345.531 3.332 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CCC[NH+](C)[C@H](C)c1ccccc1F ZINC001700195733 1413635420 /nfs/dbraw/zinc/63/54/20/1413635420.db2.gz YEBSPBUIWHLSMA-MRXNPFEDSA-N 2 0 337.483 3.007 10 0 EGAERP CCCC[N@@H+]1CCC[C@@H]([C@H]2CCCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001700199722 1413642971 /nfs/dbraw/zinc/64/29/71/1413642971.db2.gz ZCNGJDFIXRKWRN-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CN(CCC[N@H+](C)CCC1CCCCCC1)C(=O)C[NH+]1CCCC1 ZINC001700203132 1413647501 /nfs/dbraw/zinc/64/75/01/1413647501.db2.gz HQEKATLRMMESGU-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CC(C)[C@@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1CC2(CCC2)C1 ZINC001732557725 1428745773 /nfs/dbraw/zinc/74/57/73/1428745773.db2.gz MLHBTLOCJOMGTQ-RBUKOAKNSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C(C)C ZINC001732557893 1428746396 /nfs/dbraw/zinc/74/63/96/1428746396.db2.gz HTSRRDXTWLWGEW-OALUTQOASA-N 2 0 335.536 3.092 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)C[NH+](C)C1CCC1)C2 ZINC001700227696 1413683400 /nfs/dbraw/zinc/68/34/00/1413683400.db2.gz SNMVSAORJXFIBH-KTBYTZPXSA-N 2 0 347.547 3.142 10 0 EGAERP CCC/C=C\CC[NH2+]C1(C)CCN(C(=O)CCc2c[nH]cn2)CC1 ZINC001700280940 1413726101 /nfs/dbraw/zinc/72/61/01/1413726101.db2.gz DCZXZIZCFFLHCL-WAYWQWQTSA-N 2 0 332.492 3.059 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@H]1CCCN1C(=O)C[C@H]1CC[NH+](C)C1 ZINC001700361715 1413875903 /nfs/dbraw/zinc/87/59/03/1413875903.db2.gz BHSJZOXJMBNQEC-QZTJIDSGSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1CC(C[NH2+][C@H](C)c2cc(C)ccc2C)C1 ZINC001700381592 1413908649 /nfs/dbraw/zinc/90/86/49/1413908649.db2.gz HSSPDNCQIMKTEA-LMDPOFIKSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@@H](C)[NH2+]Cc1ccccc1 ZINC001700404989 1413941887 /nfs/dbraw/zinc/94/18/87/1413941887.db2.gz OLNGVGNUGZUKAA-IAGOWNOFSA-N 2 0 345.531 3.322 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[N@H+](C)C1CCCC1)[C@H](C)[NH2+]Cc1ccccc1 ZINC001700404988 1413942267 /nfs/dbraw/zinc/94/22/67/1413942267.db2.gz OLNGVGNUGZUKAA-DLBZAZTESA-N 2 0 345.531 3.322 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001700406042 1413943995 /nfs/dbraw/zinc/94/39/95/1413943995.db2.gz VQCOJEKOSSPJTB-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@H](C(=O)N(C)C1CCC([NH2+]CCCC2CCC2)CC1)[NH+](C)C ZINC001700437609 1414006567 /nfs/dbraw/zinc/00/65/67/1414006567.db2.gz KBNRBTVAOMTZFH-CTWPCTMYSA-N 2 0 337.552 3.266 10 0 EGAERP CCCC[NH2+]C1CCC(N(C)C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700438208 1414007737 /nfs/dbraw/zinc/00/77/37/1414007737.db2.gz VSVFEIXXBRPFLQ-ACBHZAAOSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700463764 1414066685 /nfs/dbraw/zinc/06/66/85/1414066685.db2.gz MJVLEVAXTTXDSZ-HKUYNNGSSA-N 2 0 335.536 3.186 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700519086 1414173339 /nfs/dbraw/zinc/17/33/39/1414173339.db2.gz MEMSOWZWXDGTRA-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1cccc(C)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700518841 1414173562 /nfs/dbraw/zinc/17/35/62/1414173562.db2.gz GMNGGUNWLCNAET-UXHICEINSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001700579473 1414256888 /nfs/dbraw/zinc/25/68/88/1414256888.db2.gz VZTOYTIUBVTKNF-HKUYNNGSSA-N 2 0 345.531 3.306 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCCC[NH+]3CC)C2)C1 ZINC001700621343 1414291648 /nfs/dbraw/zinc/29/16/48/1414291648.db2.gz RREDVWLOYJNPLE-UEKDZROGSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]C[C@H]1C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001700637508 1414303842 /nfs/dbraw/zinc/30/38/42/1414303842.db2.gz OPMLIJKDOADZJW-KZNAEPCWSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001700671124 1414327151 /nfs/dbraw/zinc/32/71/51/1414327151.db2.gz AZPZPDJCDKTPRK-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[NH2+][C@H](CCNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)C(C)C ZINC001700711579 1414368122 /nfs/dbraw/zinc/36/81/22/1414368122.db2.gz LXXGEUOTXWQMLW-PKOBYXMFSA-N 2 0 337.552 3.170 10 0 EGAERP CCc1ccc(C[NH2+][C@@H](C)CN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)cc1 ZINC001700754083 1414424441 /nfs/dbraw/zinc/42/44/41/1414424441.db2.gz MCXBFXJCUFDKCU-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCC1CCCCC1 ZINC001700765556 1414439871 /nfs/dbraw/zinc/43/98/71/1414439871.db2.gz QUJZFWCLJMHMCI-LNLFQRSKSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@H](C)[NH2+]CCC1CCCC1)[NH+]1CCCC1 ZINC001700781486 1414463712 /nfs/dbraw/zinc/46/37/12/1414463712.db2.gz XCGSYHBLFCLDKV-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)N[C@]12CCC[C@@H]1[NH+](CC1=CCCCC1)CC2)C1CCC1 ZINC001700869013 1414522380 /nfs/dbraw/zinc/52/23/80/1414522380.db2.gz YNLXBQOZLBCWAB-FPOVZHCZSA-N 2 0 345.531 3.084 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1CC1CC(C)(C)C1 ZINC001700886779 1414544987 /nfs/dbraw/zinc/54/49/87/1414544987.db2.gz FESZZMRMIZJEOP-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001700909108 1414563626 /nfs/dbraw/zinc/56/36/26/1414563626.db2.gz BXRSOYNRNRVCHB-MOPGFXCFSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915278 1414568390 /nfs/dbraw/zinc/56/83/90/1414568390.db2.gz CLNHDKDXVDAEHJ-MOPGFXCFSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C)c1 ZINC001700999614 1414651618 /nfs/dbraw/zinc/65/16/18/1414651618.db2.gz ZAXYXNOJHIOXOD-IEBWSBKVSA-N 2 0 347.547 3.437 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC2=CCCCC2)C1)[NH+]1CCCC1 ZINC001701029951 1414691846 /nfs/dbraw/zinc/69/18/46/1414691846.db2.gz OKGCUQHTYCDIOH-MHJFOBGBSA-N 2 0 347.547 3.186 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732698421 1428915053 /nfs/dbraw/zinc/91/50/53/1428915053.db2.gz BPARCEUIUVXDHB-IEBWSBKVSA-N 2 0 337.552 3.316 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001732941850 1429066139 /nfs/dbraw/zinc/06/61/39/1429066139.db2.gz XLQRFPUWJIHBCU-SREVYHEPSA-N 2 0 335.536 3.095 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)c(C)c1 ZINC001732982774 1429110419 /nfs/dbraw/zinc/11/04/19/1429110419.db2.gz AVFFIQGSQJTSHO-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001707060265 1417175833 /nfs/dbraw/zinc/17/58/33/1417175833.db2.gz XPSWLOQVTHYQTR-HCZHMGAMSA-N 2 0 343.515 3.251 10 0 EGAERP CCCCC[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001707088444 1417195194 /nfs/dbraw/zinc/19/51/94/1417195194.db2.gz YNKFLDRWHCDKTG-QWFCFKBJSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CCC1=CCCCC1 ZINC001707142451 1417220598 /nfs/dbraw/zinc/22/05/98/1417220598.db2.gz NMVPYZCVSQPHTC-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001707146045 1417222041 /nfs/dbraw/zinc/22/20/41/1417222041.db2.gz XCFKOJLBGQMUHJ-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001707167226 1417227633 /nfs/dbraw/zinc/22/76/33/1417227633.db2.gz SGKDNQPAEKEYHF-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1[C@@H]2CCC[N@H+](CCCC3CCC3)[C@@H]2C1(C)C ZINC001707186257 1417235714 /nfs/dbraw/zinc/23/57/14/1417235714.db2.gz MYCWMXPXCRDZHU-SXLOBPIMSA-N 2 0 349.563 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCCC1CCCC1 ZINC001707196582 1417240723 /nfs/dbraw/zinc/24/07/23/1417240723.db2.gz VIEBEXPNGYKAOT-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP CC1(C)C[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@H+](CC2CCC2)C1 ZINC001707280454 1417290110 /nfs/dbraw/zinc/29/01/10/1417290110.db2.gz JKFSOHZLNMZCCE-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCNC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001707399191 1417314124 /nfs/dbraw/zinc/31/41/24/1417314124.db2.gz CCJAKBJIGUIHNN-GOSISDBHSA-N 2 0 345.531 3.144 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NCCC[N@H+](C)CCC(C)(C)C)c1 ZINC001707423766 1417330737 /nfs/dbraw/zinc/33/07/37/1417330737.db2.gz REIBLTYXXBPNQZ-UHFFFAOYSA-N 2 0 333.520 3.236 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)CC1=CCCCC1 ZINC001707452045 1417355424 /nfs/dbraw/zinc/35/54/24/1417355424.db2.gz NUDNDVOYLLCBTQ-LJQANCHMSA-N 2 0 335.536 3.188 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H]2CCCCN2C(=O)CC[NH+](C)C)cc1C ZINC001712998062 1417550129 /nfs/dbraw/zinc/55/01/29/1417550129.db2.gz CBHOEHBNCSWCIA-ICSRJNTNSA-N 2 0 345.531 3.114 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001713094492 1417642901 /nfs/dbraw/zinc/64/29/01/1417642901.db2.gz HETYCJVQFLNHRG-IOIJZZRGSA-N 2 0 347.547 3.044 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001713131937 1417706472 /nfs/dbraw/zinc/70/64/72/1417706472.db2.gz OVKFACXSJUBAGQ-KRWDZBQOSA-N 2 0 337.552 3.220 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001713133267 1417709542 /nfs/dbraw/zinc/70/95/42/1417709542.db2.gz QBBYXUNPGFUJCI-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1 ZINC001713175906 1417748695 /nfs/dbraw/zinc/74/86/95/1417748695.db2.gz STLKCYZKKOPEPN-WGSAOQKQSA-N 2 0 335.536 3.070 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001713245321 1417831279 /nfs/dbraw/zinc/83/12/79/1417831279.db2.gz AQFDFDZRIKLBJE-RTLBZRNLSA-N 2 0 335.536 3.047 10 0 EGAERP C[NH+]1CCC(C(=O)N2CCCC[C@H]2C[NH2+]CCCC2CCCC2)CC1 ZINC001713265823 1417874462 /nfs/dbraw/zinc/87/44/62/1417874462.db2.gz VUORPEVYNRQHBM-FQEVSTJZSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001713268939 1417878187 /nfs/dbraw/zinc/87/81/87/1417878187.db2.gz MNNBTALUXACILH-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001713269148 1417878401 /nfs/dbraw/zinc/87/84/01/1417878401.db2.gz WZLPVNBNCVWMEB-KJBZUCPPSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001713270953 1417883493 /nfs/dbraw/zinc/88/34/93/1417883493.db2.gz VZTASDNJDXOEKH-ASIGSXEYSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@H]2CCc3ccccc32)CC1 ZINC001713291266 1417918639 /nfs/dbraw/zinc/91/86/39/1417918639.db2.gz FYTSSSPUKIWGMT-QLOJAFMTSA-N 2 0 343.515 3.033 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+][C@@H]2CCc3ccccc32)CC1 ZINC001713291265 1417918903 /nfs/dbraw/zinc/91/89/03/1417918903.db2.gz FYTSSSPUKIWGMT-AFMYVXGZSA-N 2 0 343.515 3.033 10 0 EGAERP C[NH+](C)CCCCC(=O)NC1CCC([NH2+]CC2CC(C)(C)C2)CC1 ZINC001713291795 1417919533 /nfs/dbraw/zinc/91/95/33/1417919533.db2.gz ZWWLBCXNWAMYHC-UHFFFAOYSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)CCC1 ZINC001733724465 1429949069 /nfs/dbraw/zinc/94/90/69/1429949069.db2.gz INQXYHACHUCHMV-GOSISDBHSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001713349634 1417968721 /nfs/dbraw/zinc/96/87/21/1417968721.db2.gz IYUYMNJIZUGESI-UEKDZROGSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]Cc2ccc(CF)cc2)C1 ZINC001713381385 1417991910 /nfs/dbraw/zinc/99/19/10/1417991910.db2.gz IXKFHOOJSXCRQC-RBUKOAKNSA-N 2 0 349.494 3.013 10 0 EGAERP Cc1cc(C)cc(C[NH+](C)[C@H]2CCCN(C(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001713400677 1418022708 /nfs/dbraw/zinc/02/27/08/1418022708.db2.gz JNYDGWAZOUNYBW-FQEVSTJZSA-N 2 0 345.531 3.066 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)[C@@H](C)c2ccc(F)cc2)C1 ZINC001713400727 1418022811 /nfs/dbraw/zinc/02/28/11/1418022811.db2.gz KAIXQVCPQSZRJI-QFBILLFUSA-N 2 0 349.494 3.150 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001713438696 1418071353 /nfs/dbraw/zinc/07/13/53/1418071353.db2.gz IKLKKIZYWKLFTQ-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CCC1CCCCC1)[NH+]1CCCC1 ZINC001713478222 1418160985 /nfs/dbraw/zinc/16/09/85/1418160985.db2.gz TWALAKUGYOBFPY-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001713667007 1418422247 /nfs/dbraw/zinc/42/22/47/1418422247.db2.gz LZQJBDVJWXMIFP-UHFFFAOYSA-N 2 0 345.531 3.234 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC2CCCC2)C(C)C)CC[N@@H+]1C ZINC001713689175 1418441681 /nfs/dbraw/zinc/44/16/81/1418441681.db2.gz WEOHXYWFKCBRRJ-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001713693143 1418447175 /nfs/dbraw/zinc/44/71/75/1418447175.db2.gz XXWOZTQCXYAVHA-LJQANCHMSA-N 2 0 337.552 3.434 10 0 EGAERP Cc1cccc([C@H](C)[NH+]2CC[C@@H](CCNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001713742497 1418544504 /nfs/dbraw/zinc/54/45/04/1418544504.db2.gz YZHUJUMBPQCWHY-RBUKOAKNSA-N 2 0 345.531 3.224 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001713750732 1418552359 /nfs/dbraw/zinc/55/23/59/1418552359.db2.gz FRSJVOXVFJGLAH-RBUKOAKNSA-N 2 0 337.552 3.077 10 0 EGAERP CN(C(=O)C1(C[NH+](C)C)CC1)C1CC[NH+](CCC2CCCCC2)CC1 ZINC001713782088 1418597945 /nfs/dbraw/zinc/59/79/45/1418597945.db2.gz FORYVDYQSAKWOU-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001713794422 1418613331 /nfs/dbraw/zinc/61/33/31/1418613331.db2.gz SLJMFKKYDFLPCV-RTBURBONSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713948559 1418733531 /nfs/dbraw/zinc/73/35/31/1418733531.db2.gz QMPUARXHQFHVLE-GUDVDZBRSA-N 2 0 335.536 3.066 10 0 EGAERP CC(C)CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713957878 1418739535 /nfs/dbraw/zinc/73/95/35/1418739535.db2.gz NTJREWHKLCVZBQ-LNLFQRSKSA-N 2 0 335.536 3.066 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714019083 1418800256 /nfs/dbraw/zinc/80/02/56/1418800256.db2.gz QMUUKZUUNPAALG-YSKLNCTFSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001714024947 1418808891 /nfs/dbraw/zinc/80/88/91/1418808891.db2.gz KGSZXACGPCVGKC-GOSISDBHSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714044429 1418836243 /nfs/dbraw/zinc/83/62/43/1418836243.db2.gz QCOOGTARAQYKNE-MOPGFXCFSA-N 2 0 335.536 3.045 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CCC(C)(C)C ZINC001714114974 1418916828 /nfs/dbraw/zinc/91/68/28/1418916828.db2.gz KMFPGJDQPRNLML-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)[C@H]2CCC[N@H+](CCC)C2)CC1 ZINC001714193291 1418999031 /nfs/dbraw/zinc/99/90/31/1418999031.db2.gz QVAUQXIQJFLWMS-VIQWUECVSA-N 2 0 337.552 3.316 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCCCC1 ZINC001714235080 1419025703 /nfs/dbraw/zinc/02/57/03/1419025703.db2.gz HOMAKJQBJLCCJW-MJGOQNOKSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H]([NH2+][C@@H](C)CNC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001714247555 1419034393 /nfs/dbraw/zinc/03/43/93/1419034393.db2.gz ZLQZFVKWQDZPTK-PKOBYXMFSA-N 2 0 343.515 3.108 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001714306994 1419086589 /nfs/dbraw/zinc/08/65/89/1419086589.db2.gz OUCRTJMXGOIBDI-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001714330540 1419110275 /nfs/dbraw/zinc/11/02/75/1419110275.db2.gz OVGKQPULXCOWDG-UHFFFAOYSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001714346781 1419116961 /nfs/dbraw/zinc/11/69/61/1419116961.db2.gz NVLBPCJYDFPEPM-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@H]([NH2+]CC3CC4(CCC4)C3)C2)CCC1 ZINC001714400743 1419144172 /nfs/dbraw/zinc/14/41/72/1419144172.db2.gz DORUUYXXRDMJAP-ROUUACIJSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714421978 1419157584 /nfs/dbraw/zinc/15/75/84/1419157584.db2.gz DPDQEHFZVZHPRU-PKOBYXMFSA-N 2 0 335.536 3.092 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]([NH+](C)CC(CC)CC)C1 ZINC001714439387 1419170912 /nfs/dbraw/zinc/17/09/12/1419170912.db2.gz QTUDBEMRSOGMEV-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP C[N@H+](CCCC1CCC1)[C@H]1CCCN(C(=O)CC[C@H]2CCC[NH+]2C)C1 ZINC001714442199 1419173968 /nfs/dbraw/zinc/17/39/68/1419173968.db2.gz SCWDMYTXOHSCHS-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1c(C)cccc1C ZINC001714472759 1419197894 /nfs/dbraw/zinc/19/78/94/1419197894.db2.gz VPKIITPAXATDHK-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP CCc1cccc(C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001714484293 1419207470 /nfs/dbraw/zinc/20/74/70/1419207470.db2.gz FGDDKQOUQIMKKN-QGZVFWFLSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001714499321 1419224629 /nfs/dbraw/zinc/22/46/29/1419224629.db2.gz NKYAYYLMUPRFSV-ZWKOTPCHSA-N 2 0 345.531 3.451 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714542810 1419267836 /nfs/dbraw/zinc/26/78/36/1419267836.db2.gz SOQIDQOCIBHTGH-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)C(C)(C)[NH+]1CCCC1)Cc1cc(C)cc(C)c1 ZINC001714585760 1419328370 /nfs/dbraw/zinc/32/83/70/1419328370.db2.gz DZCJSULJONNLRF-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC[N@H+](CCCC(C)(C)C)CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001714594273 1419344707 /nfs/dbraw/zinc/34/47/07/1419344707.db2.gz KNGMMURMZYWGLN-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1)[NH+](CC)CC ZINC001714814303 1419525269 /nfs/dbraw/zinc/52/52/69/1419525269.db2.gz VOOMPDGDLUITCI-MJGOQNOKSA-N 2 0 337.552 3.290 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001714831613 1419541744 /nfs/dbraw/zinc/54/17/44/1419541744.db2.gz SPCIAOIIQDLPTA-RBUKOAKNSA-N 2 0 337.552 3.290 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714865394 1419591050 /nfs/dbraw/zinc/59/10/50/1419591050.db2.gz KLSRDQQYIPCVHV-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCC1)C1CCCCC1 ZINC001714976357 1419710591 /nfs/dbraw/zinc/71/05/91/1419710591.db2.gz MKJSAJFYTHCENO-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](N(C)C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001715022875 1419754458 /nfs/dbraw/zinc/75/44/58/1419754458.db2.gz DABMBFHWEIFSKO-IBGZPJMESA-N 2 0 345.531 3.127 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CCC(C)(C)C ZINC001715075615 1419810601 /nfs/dbraw/zinc/81/06/01/1419810601.db2.gz OYJJETSMFHOABH-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H](CC)[NH2+]Cc2cccc(C)c2)C1 ZINC001715076798 1419811682 /nfs/dbraw/zinc/81/16/82/1419811682.db2.gz VGVKAEJHPJUKAK-PMACEKPBSA-N 2 0 345.531 3.101 10 0 EGAERP CC[C@H](CNC(=O)C1CC[NH+](C(C)C)CC1)[NH2+]CCCC(C)(C)C ZINC001715085155 1419824138 /nfs/dbraw/zinc/82/41/38/1419824138.db2.gz SMJWNMLFJQFXRC-GOSISDBHSA-N 2 0 339.568 3.418 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@](C)(C[NH2+]CC1CCCCCC1)C1CC1 ZINC001715113308 1419856856 /nfs/dbraw/zinc/85/68/56/1419856856.db2.gz OREWUFDGUNTJFU-PZJWPPBQSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@](C[NH2+]CCC1CCCCCC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715128077 1419875484 /nfs/dbraw/zinc/87/54/84/1419875484.db2.gz VMJCVEJLUYSAGO-NRFANRHFSA-N 2 0 349.563 3.317 10 0 EGAERP C[C@](C[NH2+]CCC1CCCCCC1)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC001715128079 1419875739 /nfs/dbraw/zinc/87/57/39/1419875739.db2.gz VMJCVEJLUYSAGO-OAQYLSRUSA-N 2 0 349.563 3.317 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@](C)(C[NH2+][C@H](C)c1cccc(F)c1)C1CC1 ZINC001715129581 1419878560 /nfs/dbraw/zinc/87/85/60/1419878560.db2.gz ZPKIYEUKDKGRFQ-QRWLVFNGSA-N 2 0 349.494 3.101 10 0 EGAERP CC(C)CC[NH2+]CC[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001715145681 1419891156 /nfs/dbraw/zinc/89/11/56/1419891156.db2.gz MCEOPIKHOHQPRR-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001715183162 1419916486 /nfs/dbraw/zinc/91/64/86/1419916486.db2.gz NACHSDOIBPZHKY-QAQDUYKDSA-N 2 0 340.471 3.240 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@@H]([NH+](C)C)C2)CC1 ZINC001715189546 1419921865 /nfs/dbraw/zinc/92/18/65/1419921865.db2.gz HMXCZUPGJPCUPS-KGTDMUDKSA-N 2 0 349.563 3.480 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCC1 ZINC001715331425 1420036843 /nfs/dbraw/zinc/03/68/43/1420036843.db2.gz UYTQLWSWTOYFRD-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)CC[NH2+]C[C@H](NC(=O)C[N@@H+]1CC[C@@H](C)C1)C1CCCCC1 ZINC001715401457 1420100089 /nfs/dbraw/zinc/10/00/89/1420100089.db2.gz NFVDAHRLQLHHNJ-MJGOQNOKSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001715417211 1420110999 /nfs/dbraw/zinc/11/09/99/1420110999.db2.gz MJUUGIRCGSMPMQ-IEBWSBKVSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC[C@H]1[NH2+]CC1=CCCCC1 ZINC001715417213 1420111179 /nfs/dbraw/zinc/11/11/79/1420111179.db2.gz MJUUGIRCGSMPMQ-PKOBYXMFSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1CC[NH2+]CC1CC2(CCC2)C1 ZINC001715423944 1420115319 /nfs/dbraw/zinc/11/53/19/1420115319.db2.gz FQTSVAYZGQKPCQ-OALUTQOASA-N 2 0 347.547 3.022 10 0 EGAERP Cc1c(C(=O)N2CCCC[C@@H]2CC[NH2+]CC(C)C)ccc2c[nH+]cn21 ZINC001715435550 1420121935 /nfs/dbraw/zinc/12/19/35/1420121935.db2.gz DYNOCQVBQUUPNJ-QGZVFWFLSA-N 2 0 342.487 3.273 10 0 EGAERP C[C@@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)C2CC[NH+](C)CC2)C1 ZINC001715461898 1420141656 /nfs/dbraw/zinc/14/16/56/1420141656.db2.gz GRKFCJKMIBSIPL-YLJYHZDGSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001715464168 1420143406 /nfs/dbraw/zinc/14/34/06/1420143406.db2.gz VIYKSGRVVXKEPL-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001715494253 1420175500 /nfs/dbraw/zinc/17/55/00/1420175500.db2.gz WCQQBABULRIXFP-MOPGFXCFSA-N 2 0 337.552 3.170 10 0 EGAERP CCCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2CC[C@@H](C)C2)CC1 ZINC001715497933 1420179518 /nfs/dbraw/zinc/17/95/18/1420179518.db2.gz HXCBPWLJXWRKHP-GOSISDBHSA-N 2 0 337.552 3.079 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC[N@H+](C)CCC1=CCCCC1 ZINC001715540131 1420237977 /nfs/dbraw/zinc/23/79/77/1420237977.db2.gz RCFUHGVFBZYZPO-QZTJIDSGSA-N 2 0 335.536 3.140 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](CNC(=O)c1ccc2c[nH+]cn2c1C)C(C)C ZINC001715593013 1420263070 /nfs/dbraw/zinc/26/30/70/1420263070.db2.gz DTRINRJJKCITQZ-RDTXWAMCSA-N 2 0 330.476 3.033 10 0 EGAERP CC(C)c1ccccc1C[NH2+]CC[C@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001715655289 1420280601 /nfs/dbraw/zinc/28/06/01/1420280601.db2.gz MCESPXGHSQJUHU-KRWDZBQOSA-N 2 0 345.531 3.279 10 0 EGAERP CCN(CC[NH2+]CCC1=CCCCC1)C(=O)C12CCC[NH+](CCC1)C2 ZINC001715740846 1420320302 /nfs/dbraw/zinc/32/03/02/1420320302.db2.gz PNACXHSZTGJDQE-UHFFFAOYSA-N 2 0 347.547 3.191 10 0 EGAERP CC[C@H]([NH2+]C/C=C\CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001715811057 1420352191 /nfs/dbraw/zinc/35/21/91/1420352191.db2.gz BVJGTTPOQSGOQO-IQHLRMOPSA-N 2 0 343.515 3.273 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCN(C)C(=O)CC[C@H]2CCC[NH+]2C)c(C)c1 ZINC001715859688 1420370597 /nfs/dbraw/zinc/37/05/97/1420370597.db2.gz QYFLPWWBGPPUCJ-HXUWFJFHSA-N 2 0 345.531 3.068 10 0 EGAERP C[C@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715932848 1420405438 /nfs/dbraw/zinc/40/54/38/1420405438.db2.gz MSGVWNOOAKHMDD-YLJYHZDGSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)(C)CCC[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001733259887 1429413204 /nfs/dbraw/zinc/41/32/04/1429413204.db2.gz FHTYPLOKOXCXLJ-IRXDYDNUSA-N 2 0 335.536 3.068 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@H](C)NC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001716026404 1420483120 /nfs/dbraw/zinc/48/31/20/1420483120.db2.gz DWIJYIKVBSQUMB-WLMAVBAVSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[NH+]1CCC[C@@H]1C(=O)N[C@@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026423 1420483442 /nfs/dbraw/zinc/48/34/42/1420483442.db2.gz FHJSIEUGFROHRM-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[N@@H+]1CC[C@@H]2CN(C(=O)CCCC[NH+]3CCCC3)CC[C@@H]21 ZINC001716054941 1420518798 /nfs/dbraw/zinc/51/87/98/1420518798.db2.gz SRDLRPJJOHNQJX-UXHICEINSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138533 1420538940 /nfs/dbraw/zinc/53/89/40/1420538940.db2.gz HGTLQLLDNPNQBF-PKOBYXMFSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H](CC[NH2+]Cc1ccc(C2CC2)cc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001716145682 1420541200 /nfs/dbraw/zinc/54/12/00/1420541200.db2.gz KIUFPPKFSZTLTC-INIZCTEOSA-N 2 0 343.515 3.033 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(CC)CC[NH2+]CC2CCCCCC2)CC[N@@H+]1C ZINC001716217810 1420569536 /nfs/dbraw/zinc/56/95/36/1420569536.db2.gz HZFVCIDOPVTSCN-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCCC1)NC(=O)CC[NH+](C)C1CCCCC1 ZINC001716488376 1420708669 /nfs/dbraw/zinc/70/86/69/1420708669.db2.gz LJSQFBSQTZNGBF-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001733269924 1429431952 /nfs/dbraw/zinc/43/19/52/1429431952.db2.gz SYKXXWAYWACSBJ-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](C[N@H+](C)CCCC1CCC1)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001716497875 1420723382 /nfs/dbraw/zinc/72/33/82/1420723382.db2.gz OXVMLPCVYRXSKB-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CCCN(C)C(=O)CC[C@@H]2CCC[N@@H+]2C)c1 ZINC001716547960 1420756979 /nfs/dbraw/zinc/75/69/79/1420756979.db2.gz YMMFFXBVJARQGF-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CC[NH+](CC2CCCC2)C1 ZINC001733269044 1429430995 /nfs/dbraw/zinc/43/09/95/1429430995.db2.gz LFRYIMHNJUXUSY-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C[NH2+]CCC1=CCCCC1)C1CC1 ZINC001716631348 1420790523 /nfs/dbraw/zinc/79/05/23/1420790523.db2.gz KFBQUOJDCYESJS-UXHICEINSA-N 2 0 347.547 3.236 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C12CCC[NH+]1CCC2 ZINC001733273405 1429435596 /nfs/dbraw/zinc/43/55/96/1429435596.db2.gz MSGHKRLXETXSEC-FKDQEEMOSA-N 2 0 345.531 3.036 10 0 EGAERP CC(C)(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[NH+]1CCCC1 ZINC001716709238 1420862797 /nfs/dbraw/zinc/86/27/97/1420862797.db2.gz MTUOHUUCLXDDRI-AYHJJNSGSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)C[C@@H](C)C[NH+]1CC(N(C)C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001716753396 1420904642 /nfs/dbraw/zinc/90/46/42/1420904642.db2.gz DMSWHJHUXDUTON-QGZVFWFLSA-N 2 0 345.531 3.187 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@H](C)C1 ZINC001716768014 1420913421 /nfs/dbraw/zinc/91/34/21/1420913421.db2.gz SQPROHMCUXPSFL-YLJYHZDGSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1CC(C)C)C1CCCC1 ZINC001716819109 1420945452 /nfs/dbraw/zinc/94/54/52/1420945452.db2.gz QYDAIQFNYFAVGQ-UXHICEINSA-N 2 0 349.563 3.338 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(C1)CCCCN(C(=O)C1([NH+](C)C)CCC1)C2 ZINC001716830474 1420957479 /nfs/dbraw/zinc/95/74/79/1420957479.db2.gz QDMIPXBFWCNWDY-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP CCCC[N@H+](CC1CC1)C1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001733279615 1429449562 /nfs/dbraw/zinc/44/95/62/1429449562.db2.gz OVKMGEHAZOVJEM-ROUUACIJSA-N 2 0 349.563 3.362 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@]2(C)CCN(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001716880454 1421004729 /nfs/dbraw/zinc/00/47/29/1421004729.db2.gz NKWPGRLACNQRAZ-OAQYLSRUSA-N 2 0 345.531 3.055 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001716880951 1421005039 /nfs/dbraw/zinc/00/50/39/1421005039.db2.gz XQGRSZKJQACSJN-CTNGQTDRSA-N 2 0 347.547 3.047 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@H]([NH2+]CC)c2ccccc2CC)C1 ZINC001716953846 1421049427 /nfs/dbraw/zinc/04/94/27/1421049427.db2.gz JLDXWQSBDJHXLW-QUCCMNQESA-N 2 0 345.531 3.138 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H]3[C@@H]2CC[N@@H+]3CCCC(C)(C)C)CC1 ZINC001717035107 1421088407 /nfs/dbraw/zinc/08/84/07/1421088407.db2.gz GHBSKRKPRZDFOM-MSOLQXFVSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001717038093 1421092484 /nfs/dbraw/zinc/09/24/84/1421092484.db2.gz NNBYSTQQXLIGKH-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001717111121 1421115103 /nfs/dbraw/zinc/11/51/03/1421115103.db2.gz MADZHKXTVQOOOG-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCC1([NH2+]CCC(C)C)CCN(C(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001717239957 1421208499 /nfs/dbraw/zinc/20/84/99/1421208499.db2.gz FKYYUFHOFMFFOA-UHFFFAOYSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)CC[C@H]2CCC[N@@H+]2C)CC1 ZINC001717297795 1421241033 /nfs/dbraw/zinc/24/10/33/1421241033.db2.gz IVEPCFDJHDABGK-DUMMIQTOSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)N2CCC(C)([NH2+]CCC3CC3)CC2)cc1 ZINC001717302445 1421244531 /nfs/dbraw/zinc/24/45/31/1421244531.db2.gz FBZGEURFINIDGA-UHFFFAOYSA-N 2 0 343.515 3.133 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@]2(C1)CCC[NH+](CCC)C2 ZINC001733289237 1429466449 /nfs/dbraw/zinc/46/64/49/1429466449.db2.gz OWQVKEZZPPEJQG-HXUWFJFHSA-N 2 0 337.552 3.223 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCC2)CC1(C)C)[NH+]1CCCC1 ZINC001717313465 1421258754 /nfs/dbraw/zinc/25/87/54/1421258754.db2.gz UQVJYKNCNDZOMG-OALUTQOASA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](CCC2CCCCC2)[C@H](C)C1 ZINC001717338816 1421276385 /nfs/dbraw/zinc/27/63/85/1421276385.db2.gz ATUAFCCBHHUUSP-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C\CC[NH+](C)C[C@@H]1CCCN1C(=O)[C@@H]1CCC[N@H+]1CCC ZINC001717367531 1421303159 /nfs/dbraw/zinc/30/31/59/1421303159.db2.gz MFPDWVJHTZPLPZ-RJCMGOLDSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H]([C@H]2CCCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001717379550 1421323542 /nfs/dbraw/zinc/32/35/42/1421323542.db2.gz XBYUINNABIPSNE-VQTJNVASSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)=CC[NH2+]CC(C)(C)CN(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001717457014 1421386532 /nfs/dbraw/zinc/38/65/32/1421386532.db2.gz SUMTWVZIJRVUOP-UHFFFAOYSA-N 2 0 325.541 3.005 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@@H]3CCC[NH+]3CC(C)C)C2)C1 ZINC001733294863 1429476990 /nfs/dbraw/zinc/47/69/90/1429476990.db2.gz TYWBGEATUCZXNY-PZJWPPBQSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](F)C[NH2+]CC(C)(C)CN(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001717452411 1421382079 /nfs/dbraw/zinc/38/20/79/1421382079.db2.gz CMWZKKYORHXNTF-INIZCTEOSA-N 2 0 343.531 3.073 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2C[N@H+](CCCC3CCCC3)CC2(C)C)CC1 ZINC001717585214 1421512179 /nfs/dbraw/zinc/51/21/79/1421512179.db2.gz MPFISANTUMEVBE-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCC3)C[C@H]2C1 ZINC001717624478 1421533652 /nfs/dbraw/zinc/53/36/52/1421533652.db2.gz RPXVUWUOJZPQMB-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H]2C[C@H](NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717646285 1421548302 /nfs/dbraw/zinc/54/83/02/1421548302.db2.gz GBDAKVYLDVHQSL-FHWLQOOXSA-N 2 0 345.531 3.191 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1C[C@H](NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001717649720 1421550225 /nfs/dbraw/zinc/55/02/25/1421550225.db2.gz VNDITVXEHVWABC-IOEMXKATSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001717731942 1421597770 /nfs/dbraw/zinc/59/77/70/1421597770.db2.gz UHQUASDSOUHFQQ-UXHICEINSA-N 2 0 347.547 3.186 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001717825256 1421640094 /nfs/dbraw/zinc/64/00/94/1421640094.db2.gz DFYAHHIDOOUYLC-WAQVGJNASA-N 2 0 335.536 3.042 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[NH+](C)C(C)C)CCC[C@H]12 ZINC001717841848 1421657070 /nfs/dbraw/zinc/65/70/70/1421657070.db2.gz VWURNJNSORIHPO-QWCIBIBSSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccc(C[NH+]2CCC([C@H](C)NC(=O)CCC[NH+](C)C)CC2)cc1 ZINC001717983417 1421755799 /nfs/dbraw/zinc/75/57/99/1421755799.db2.gz DIFNGGBJSJPWLR-SFHVURJKSA-N 2 0 345.531 3.054 10 0 EGAERP CCC/C=C\CC[NH2+]C1CC(N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001717994651 1421763160 /nfs/dbraw/zinc/76/31/60/1421763160.db2.gz NLXGESQIVIJAOZ-WAYWQWQTSA-N 2 0 347.547 3.188 10 0 EGAERP C[NH+](C)C1(C(=O)NCC2=CC[N@H+](CC3CCCCCC3)CC2)CCC1 ZINC001718021872 1421776950 /nfs/dbraw/zinc/77/69/50/1421776950.db2.gz ABOXJJFOWFMHHM-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001718021630 1421777185 /nfs/dbraw/zinc/77/71/85/1421777185.db2.gz QDGJGCVKICDRMX-QUCCMNQESA-N 2 0 349.563 3.290 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CCC[NH+]2C(C)C)CC1 ZINC001718021628 1421777323 /nfs/dbraw/zinc/77/73/23/1421777323.db2.gz QDGJGCVKICDRMX-AZUAARDMSA-N 2 0 349.563 3.290 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001733341085 1429524184 /nfs/dbraw/zinc/52/41/84/1429524184.db2.gz YZAKZSZKOHHKCP-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001733382994 1429568366 /nfs/dbraw/zinc/56/83/66/1429568366.db2.gz KWFQWBREIWTHHQ-DCQFVOAKSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@@H]([NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1)c1ccccc1F ZINC001733384162 1429570785 /nfs/dbraw/zinc/57/07/85/1429570785.db2.gz RXSOEQDENUQHPW-BEFAXECRSA-N 2 0 349.494 3.103 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C1CCCC1 ZINC001733386046 1429573213 /nfs/dbraw/zinc/57/32/13/1429573213.db2.gz AOCKXYHYXALZGT-LJQANCHMSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406031 1429603105 /nfs/dbraw/zinc/60/31/05/1429603105.db2.gz LCDSXFJZVMHQCR-IEBWSBKVSA-N 2 0 349.544 3.012 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)[C@H](CC)C1 ZINC001723388168 1424382604 /nfs/dbraw/zinc/38/26/04/1424382604.db2.gz ZHIRDKJGNAMXJJ-RTBURBONSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCC(C)C ZINC001723390265 1424383934 /nfs/dbraw/zinc/38/39/34/1424383934.db2.gz VRQIQPQSTLJBMW-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@]2(CCN(C(=O)[C@@H]3CCCC[NH+]3C)C2)C1 ZINC001723677789 1424524703 /nfs/dbraw/zinc/52/47/03/1424524703.db2.gz AEEYCBGYXJUJMT-UINFQJAVSA-N 2 0 347.547 3.142 10 0 EGAERP CCC(CC)C[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+](C)C(C)C)C2)C1 ZINC001723692407 1424533217 /nfs/dbraw/zinc/53/32/17/1424533217.db2.gz ZPKWOMGWJZCNCI-HXUWFJFHSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)CCCC(=O)N1CC[C@@]2(CC[N@H+](CCC3CCCCC3)C2)C1 ZINC001723748295 1424557802 /nfs/dbraw/zinc/55/78/02/1424557802.db2.gz UYBIMZWTIKHCPF-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@@H]1CCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001723929855 1424607536 /nfs/dbraw/zinc/60/75/36/1424607536.db2.gz MAAPSIKVCFTDDM-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001724165516 1424701880 /nfs/dbraw/zinc/70/18/80/1424701880.db2.gz OQPRXMJFRAEWNM-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[C@H](C(=O)N[C@]1(C)CC[N@H+](Cc2ccc(C)cc2)C1)[NH+](CC)CC ZINC001724173011 1424707169 /nfs/dbraw/zinc/70/71/69/1424707169.db2.gz GVIAJEZUXXSEKU-TZIWHRDSSA-N 2 0 345.531 3.196 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@@]2(C)CCN(C(=O)CC[NH+](C)C)C2)c1 ZINC001724244121 1424752872 /nfs/dbraw/zinc/75/28/72/1424752872.db2.gz JGJAEXAJCYOYTJ-GHTZIAJQSA-N 2 0 345.531 3.144 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001724295521 1424781875 /nfs/dbraw/zinc/78/18/75/1424781875.db2.gz YLVRUQJAUPIJQZ-SREVYHEPSA-N 2 0 349.563 3.435 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@@H](C)[C@@H](C[NH2+]CC(C)C)C2)o1 ZINC001733557970 1429755875 /nfs/dbraw/zinc/75/58/75/1429755875.db2.gz GBVFOASLHMLHQI-SJORKVTESA-N 2 0 349.519 3.075 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001724340768 1424834295 /nfs/dbraw/zinc/83/42/95/1424834295.db2.gz NUSNLMRUOIPZKO-AZUAARDMSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001724537636 1424900783 /nfs/dbraw/zinc/90/07/83/1424900783.db2.gz BPICWICPHMKHRJ-MJGOQNOKSA-N 2 0 345.531 3.031 10 0 EGAERP C[C@@H]1CN(C(=O)CC[N@H+](C)C2CCCCC2)C[C@@H]1C[NH2+]CCC1CC1 ZINC001724599508 1424930100 /nfs/dbraw/zinc/93/01/00/1424930100.db2.gz FNGUIGHYZGIGOR-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724655467 1425020833 /nfs/dbraw/zinc/02/08/33/1425020833.db2.gz LYBZAKVHOZOMAB-PWBPZBFBSA-N 2 0 335.536 3.140 10 0 EGAERP O=C(N1CC[C@H](CC[NH2+]CC2CCCCC2)C1)C12CCC[NH+]1CCC2 ZINC001724710817 1425066728 /nfs/dbraw/zinc/06/67/28/1425066728.db2.gz LUFCKHZCQOPXHP-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001724752844 1425123213 /nfs/dbraw/zinc/12/32/13/1425123213.db2.gz VMMXUKPEOMIZDJ-QWFCFKBJSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC001724842737 1425192252 /nfs/dbraw/zinc/19/22/52/1425192252.db2.gz IYWZBKDPAINPOV-CTWPCTMYSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@H](NC(=O)[C@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001724846150 1425198242 /nfs/dbraw/zinc/19/82/42/1425198242.db2.gz VHNSPUADJIPDPS-KJBZUCPPSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001724849729 1425210688 /nfs/dbraw/zinc/21/06/88/1425210688.db2.gz XXDAARSWOLDPIE-GOSISDBHSA-N 2 0 339.568 3.371 10 0 EGAERP CN(CCC[N@H+](C)CC1CCCC1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001724858649 1425237432 /nfs/dbraw/zinc/23/74/32/1425237432.db2.gz ZQONXHBBGSLSEG-MOPGFXCFSA-N 2 0 337.552 3.077 10 0 EGAERP CCC1([NH2+]CCC2CCCC2)CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001724884962 1425267348 /nfs/dbraw/zinc/26/73/48/1425267348.db2.gz BCUZABVXXHQVQU-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H]([NH2+]CC1CC(NC(=O)C[N@H+](C)C(C)C)C1)c1ccc(F)cc1 ZINC001725076557 1425515873 /nfs/dbraw/zinc/51/58/73/1425515873.db2.gz RJFBGPFLZFRQOX-XUJQIHCRSA-N 2 0 349.494 3.101 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001725097057 1425541311 /nfs/dbraw/zinc/54/13/11/1425541311.db2.gz UDRVRKDGVOHKQP-ZWKOTPCHSA-N 2 0 345.531 3.242 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001725194055 1425744869 /nfs/dbraw/zinc/74/48/69/1425744869.db2.gz IXBBJSMSFIADRD-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCCC1 ZINC001725224541 1425793180 /nfs/dbraw/zinc/79/31/80/1425793180.db2.gz USOUETCDSZAWPX-OALUTQOASA-N 2 0 347.547 3.378 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NC1(C[NH2+]CCC2CC2)CCCCC1 ZINC001725230544 1425802880 /nfs/dbraw/zinc/80/28/80/1425802880.db2.gz YRFVCQUBXCWWPP-UHFFFAOYSA-N 2 0 335.536 3.071 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]CCCF)CCCCC2)cc1 ZINC001725230332 1425803184 /nfs/dbraw/zinc/80/31/84/1425803184.db2.gz VJHOMSHFCDSSLV-UHFFFAOYSA-N 2 0 349.494 3.130 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCCC[N@@H+]1CC1=CCCCC1 ZINC001725240233 1425842730 /nfs/dbraw/zinc/84/27/30/1425842730.db2.gz HFZQNBMCBPGRIA-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CC([C@@H](C)NC(=O)CCCC[NH+](C)C)C1 ZINC001725272107 1425907313 /nfs/dbraw/zinc/90/73/13/1425907313.db2.gz ROWNPWXUQCRYJU-QZTJIDSGSA-N 2 0 345.531 3.224 10 0 EGAERP C[C@H](CN(C)C(=O)CC[NH+](C)C)[NH2+][C@H](C)c1ccc2ccccc2c1 ZINC001725504858 1426186832 /nfs/dbraw/zinc/18/68/32/1426186832.db2.gz KCOQDMPFYRGOCS-IAGOWNOFSA-N 2 0 341.499 3.289 10 0 EGAERP C[C@@H]1[C@@H]([NH2+]C/C=C/c2ccccc2)CCN1C(=O)CCCC[NH+](C)C ZINC001725574229 1426232548 /nfs/dbraw/zinc/23/25/48/1426232548.db2.gz JGGYKCISCZWLPS-QQNBDIPXSA-N 2 0 343.515 3.011 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCCCC2)CN1C(=O)CCCC[NH+](C)C ZINC001725590148 1426245876 /nfs/dbraw/zinc/24/58/76/1426245876.db2.gz LPMGIYAIFNORNO-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CC[C@@]2(NC(=O)CC[NH+](C)C3CCCCC3)CCC[C@@H]12 ZINC001725605916 1426262795 /nfs/dbraw/zinc/26/27/95/1426262795.db2.gz FCUQSQJKZAGRCZ-QUCCMNQESA-N 2 0 335.536 3.164 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CCC1=CCCCC1)CC2)[NH+](C)C ZINC001725606922 1426263889 /nfs/dbraw/zinc/26/38/89/1426263889.db2.gz BANVSMGHZOQXBC-QKNQBKEWSA-N 2 0 347.547 3.330 10 0 EGAERP Cc1ccc(C[NH+]2CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@H]2C)c(C)c1 ZINC001725627411 1426294063 /nfs/dbraw/zinc/29/40/63/1426294063.db2.gz LDKCZPNGRRWUKF-UYAOXDASSA-N 2 0 345.531 3.113 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCCC(C)(C)C)C2)CC1 ZINC001725667221 1426349937 /nfs/dbraw/zinc/34/99/37/1426349937.db2.gz XUWYZTWSQGJFDD-DLBZAZTESA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)N(CC[N@@H+](C)CC[C@@H](C)F)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001725734397 1426408153 /nfs/dbraw/zinc/40/81/53/1426408153.db2.gz YYZLGQPAYZTFKX-MSOLQXFVSA-N 2 0 343.531 3.168 10 0 EGAERP CC(C)CCC[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001725830485 1426509177 /nfs/dbraw/zinc/50/91/77/1426509177.db2.gz RONPJHLZZKGJBQ-HXUWFJFHSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001731295520 1427237693 /nfs/dbraw/zinc/23/76/93/1427237693.db2.gz DWUGIKLDOPBUQW-SJLPKXTDSA-N 2 0 337.552 3.122 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCC1 ZINC001731308920 1427250337 /nfs/dbraw/zinc/25/03/37/1427250337.db2.gz LTQGOIZJXCGHNF-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001731353332 1427292669 /nfs/dbraw/zinc/29/26/69/1427292669.db2.gz LUNYBXZWZZTHDV-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP CCCN(C(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001731388152 1427337645 /nfs/dbraw/zinc/33/76/45/1427337645.db2.gz WFCZUKXTALJILI-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001731427934 1427409666 /nfs/dbraw/zinc/40/96/66/1427409666.db2.gz FOQFTQZATBENII-KDURUIRLSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001731468562 1427448394 /nfs/dbraw/zinc/44/83/94/1427448394.db2.gz PLCIBHDGRAFQBQ-RBUKOAKNSA-N 2 0 337.552 3.221 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001731507472 1427495421 /nfs/dbraw/zinc/49/54/21/1427495421.db2.gz CNQFDSKELZKDRI-FQEVSTJZSA-N 2 0 349.563 3.271 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001731517843 1427505643 /nfs/dbraw/zinc/50/56/43/1427505643.db2.gz FEMBKHQNGVNBHY-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCC1CC1 ZINC001731548860 1427565933 /nfs/dbraw/zinc/56/59/33/1427565933.db2.gz JYJZXOLXVUZMHQ-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)c2ccc(C[NH+](C)C)cc2)CC1 ZINC001731572449 1427614727 /nfs/dbraw/zinc/61/47/27/1427614727.db2.gz XTPONTIZGXBSIF-PBPGXSGUSA-N 2 0 345.531 3.425 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CCC[C@H]([NH2+]CCCC3CCC3)C2)CC1 ZINC001731695295 1427744886 /nfs/dbraw/zinc/74/48/86/1427744886.db2.gz BTNAXONBILQZNI-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@H]([NH2+]Cc2ccsc2)C1 ZINC001731700923 1427753228 /nfs/dbraw/zinc/75/32/28/1427753228.db2.gz DVAJJSCPKOJNDI-ZWKOTPCHSA-N 2 0 349.544 3.141 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001731705647 1427758430 /nfs/dbraw/zinc/75/84/30/1427758430.db2.gz WNTDUXHMTDDLHB-RBUKOAKNSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001731713403 1427774957 /nfs/dbraw/zinc/77/49/57/1427774957.db2.gz MTJRMGISCSJHMO-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001731720597 1427789581 /nfs/dbraw/zinc/78/95/81/1427789581.db2.gz NOZBAMZDNZECOP-PMACEKPBSA-N 2 0 345.531 3.402 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC[C@H]1CCC[N@@H+]1CC1CC2(CCC2)C1 ZINC001731761820 1427865747 /nfs/dbraw/zinc/86/57/47/1427865747.db2.gz ZBXRTNSVDPKKQE-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCCC[C@H]1CCC[NH+]1Cc1cccc(F)c1 ZINC001731761756 1427866194 /nfs/dbraw/zinc/86/61/94/1427866194.db2.gz YALKQKPTCRDGOA-IBGZPJMESA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CC[NH+](CCCC2CCCC2)C1 ZINC001731847743 1428074016 /nfs/dbraw/zinc/07/40/16/1428074016.db2.gz GTMFGEGXPFMITG-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)(C)CCC[N@H+](CCNC(=O)C12CCC[NH+](CCC1)C2)C1CC1 ZINC001731878294 1428145253 /nfs/dbraw/zinc/14/52/53/1428145253.db2.gz YLORNGDOXKIPMB-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]CCN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001731974462 1428190433 /nfs/dbraw/zinc/19/04/33/1428190433.db2.gz CQIORUMZEKULDI-QZTJIDSGSA-N 2 0 345.531 3.261 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CCC)CC1 ZINC001731994622 1428203311 /nfs/dbraw/zinc/20/33/11/1428203311.db2.gz AZUWRYVCAQPCHI-YKMDAGRBSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001733596948 1429795957 /nfs/dbraw/zinc/79/59/57/1429795957.db2.gz DJRZSSYODSHWTC-AQNXPRMDSA-N 2 0 349.563 3.361 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@H](CC[NH2+]CCC3=CCCCC3)C2)C1 ZINC001733671503 1429865301 /nfs/dbraw/zinc/86/53/01/1429865301.db2.gz JTCUSCXGFFTPCD-VQTJNVASSA-N 2 0 347.547 3.047 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733688651 1429904890 /nfs/dbraw/zinc/90/48/90/1429904890.db2.gz PCEMUUDIKMNFCA-IYARVYRRSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC(C)(C)C)CCC1 ZINC001733716385 1429935351 /nfs/dbraw/zinc/93/53/51/1429935351.db2.gz SXDJNYMMXRATLP-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+](CCC)C2)CC1 ZINC001733762830 1429980036 /nfs/dbraw/zinc/98/00/36/1429980036.db2.gz QJCZRMRHPPNZJJ-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1[C@@H]1CCC[NH+](CCC2CC2)C1 ZINC001733783056 1430051167 /nfs/dbraw/zinc/05/11/67/1430051167.db2.gz VQOFPEMPROHPAA-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](NC(=O)[C@@]23CC[NH+](C2)CCC3)C(C)(C)C1 ZINC001733877642 1437704811 /nfs/dbraw/zinc/70/48/11/1437704811.db2.gz CZXVOKRYWFJOBN-ABGJEJFVSA-N 2 0 347.547 3.045 10 0 EGAERP CN(CC(C)(C)C[NH2+]CC1CC2(CCC2)C1)C(=O)C[N@H+](C)C1CCC1 ZINC001734020658 1437809732 /nfs/dbraw/zinc/80/97/32/1437809732.db2.gz QOOATUGPXYEFDO-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC(C)(C)C[NH2+]Cc1ccccc1 ZINC001734025111 1437813055 /nfs/dbraw/zinc/81/30/55/1437813055.db2.gz JHXAZHLEGRMZDZ-ROUUACIJSA-N 2 0 345.531 3.134 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH+](C)Cc1ccsc1 ZINC001734041195 1437829818 /nfs/dbraw/zinc/82/98/18/1437829818.db2.gz WKVSVYNXAMKUBC-MAUKXSAKSA-N 2 0 349.544 3.092 10 0 EGAERP Cc1cccc(C[N@@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001734060479 1437854222 /nfs/dbraw/zinc/85/42/22/1437854222.db2.gz UUWDTNSGEJJRHT-RBUKOAKNSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[C@H](CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1=CCCCC1 ZINC001734082431 1437869154 /nfs/dbraw/zinc/86/91/54/1437869154.db2.gz MAZUSXQFADBGCM-UXHICEINSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1ccc(C)cc1C)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001734097511 1437881487 /nfs/dbraw/zinc/88/14/87/1437881487.db2.gz YPEQCRHNTVSDFS-UXHICEINSA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCCC[NH+]1CCC1CCCC1 ZINC001734105955 1437892418 /nfs/dbraw/zinc/89/24/18/1437892418.db2.gz KAUBMCRGNIEETQ-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1C[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001734148758 1437916522 /nfs/dbraw/zinc/91/65/22/1437916522.db2.gz VFMPBNMJUONAEZ-ROUUACIJSA-N 2 0 349.563 3.124 10 0 EGAERP O=C(N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001734210675 1437944370 /nfs/dbraw/zinc/94/43/70/1437944370.db2.gz PYCRPNJDNNFLDA-UAFMIMERSA-N 2 0 347.547 3.068 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)CC[NH+]2CCCCC2)C1 ZINC001734220309 1437947568 /nfs/dbraw/zinc/94/75/68/1437947568.db2.gz QNROPPANJAAPHI-IYARVYRRSA-N 2 0 337.552 3.173 10 0 EGAERP CC[C@@H](c1ccc(F)cc1)[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001734272324 1438003035 /nfs/dbraw/zinc/00/30/35/1438003035.db2.gz LUWHPDTZZILTMU-IBGZPJMESA-N 2 0 349.494 3.151 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001734308211 1438040143 /nfs/dbraw/zinc/04/01/43/1438040143.db2.gz HKQHAFMRIQLBGZ-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]2CC[N@H+](C)C2)cc1 ZINC001734350908 1438069010 /nfs/dbraw/zinc/06/90/10/1438069010.db2.gz LFDTXPFCXMXRMG-HKUYNNGSSA-N 2 0 345.531 3.088 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC(C)(C)C)CCN1C(=O)CCCC[NH+](C)C ZINC001734402325 1438083338 /nfs/dbraw/zinc/08/33/38/1438083338.db2.gz IGMKWMALEIZKQA-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCc1cccc(C[NH2+][C@H]2C[C@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001734426636 1438092087 /nfs/dbraw/zinc/09/20/87/1438092087.db2.gz MBNNLBOGZGQYCF-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001734449168 1438108685 /nfs/dbraw/zinc/10/86/85/1438108685.db2.gz JEIHCHSJLNAXGB-ZCNNSNEGSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@H]1[C@H](NC(=O)C2(C[NH+](C)C)CC2)CCC[N@@H+]1CCC1CCCCC1 ZINC001734458375 1438115911 /nfs/dbraw/zinc/11/59/11/1438115911.db2.gz KUAUQFAMKATDAP-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[N@H+](C)CCN(C(=O)C1CC[NH+](C(C)C)CC1)C(C)C ZINC001734554140 1438153226 /nfs/dbraw/zinc/15/32/26/1438153226.db2.gz OFSKTPUEVSISLV-UHFFFAOYSA-N 2 0 325.541 3.076 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001734554652 1438153665 /nfs/dbraw/zinc/15/36/65/1438153665.db2.gz PHMZGIMHMPVVGH-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CC2CCCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001734559997 1438158044 /nfs/dbraw/zinc/15/80/44/1438158044.db2.gz GIHILHGXHZJDAL-KBAYOESNSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]CCC2CC2)C(C)(C)C)C1 ZINC001734569187 1438163683 /nfs/dbraw/zinc/16/36/83/1438163683.db2.gz NDXODBHHWHGURV-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@H+](CC[C@H]([NH3+])c1cccc(Br)c1)[C@@H](C)COC ZINC000053940688 214206853 /nfs/dbraw/zinc/20/68/53/214206853.db2.gz ZLADBMZLYXTQFV-WFASDCNBSA-N 2 0 329.282 3.196 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)[C@H]2CCC[C@H]21 ZINC000367519352 283134595 /nfs/dbraw/zinc/13/45/95/283134595.db2.gz NVQDLRJTLVEQHX-HSALFYBXSA-N 2 0 346.490 3.336 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)Cc2c[nH]nc2-c2ccccc2F)[C@H](C)C1 ZINC000093639145 218237009 /nfs/dbraw/zinc/23/70/09/218237009.db2.gz WAPWOVPYFHBACG-RDTXWAMCSA-N 2 0 330.451 3.378 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)NC(C)(C)CC[NH+]1CCCCCC1 ZINC000350723154 141262600 /nfs/dbraw/zinc/26/26/00/141262600.db2.gz BUOCTRFQWOZSSX-QGZVFWFLSA-N 2 0 340.556 3.061 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccnc(OC3CCCC3)c2)[C@@H]2CCC[C@H]21 ZINC000353464395 141303028 /nfs/dbraw/zinc/30/30/28/141303028.db2.gz UNOBVKGHIPPCCX-GBESFXJTSA-N 2 0 329.488 3.365 10 0 EGAERP CCO[C@@H]1C[C@@H]([NH2+]CCCC[NH+]2CCC(C)CC2)C12CCOCC2 ZINC000186249193 286280450 /nfs/dbraw/zinc/28/04/50/286280450.db2.gz ZRPIOKKTOQMMLN-RTBURBONSA-N 2 0 338.536 3.062 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](c1ccc(SC)cc1)[NH+](C)C ZINC000341557338 155351968 /nfs/dbraw/zinc/35/19/68/155351968.db2.gz DFDZJNHFYSOAFG-QZTJIDSGSA-N 2 0 349.544 3.002 10 0 EGAERP Cn1c2ccc(C[NH+]3CCC(CCC[NH+](C)C)CC3)cc2sc1=O ZINC000195033116 153372745 /nfs/dbraw/zinc/37/27/45/153372745.db2.gz VQFNESLBAFQCNU-UHFFFAOYSA-N 2 0 347.528 3.154 10 0 EGAERP O[C@H](C[N@@H+]1C[C@@H]2CC[NH+](Cc3ccccc3)C[C@H]2C1)c1ccccc1 ZINC000311193316 154146358 /nfs/dbraw/zinc/14/63/58/154146358.db2.gz FHMWNJMNZPDFSR-FDFHNCONSA-N 2 0 336.479 3.174 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405273 162008468 /nfs/dbraw/zinc/00/84/68/162008468.db2.gz PZSKHUCEMIXPMD-OAHLLOKOSA-N 2 0 329.492 3.119 10 0 EGAERP c1ccc(CN2CC[NH+](CCCC[NH2+][C@@H]3CCCSC3)CC2)cc1 ZINC000131184814 162394428 /nfs/dbraw/zinc/39/44/28/162394428.db2.gz NNHFBWOBHRQVTP-HXUWFJFHSA-N 2 0 347.572 3.070 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]12)C1CCOCC1 ZINC000248415560 163003337 /nfs/dbraw/zinc/00/33/37/163003337.db2.gz OEZASGMLTOSAMM-LLUDDFSJSA-N 2 0 328.500 3.302 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1)[C@@H]1CCCO1 ZINC000248594851 163019112 /nfs/dbraw/zinc/01/91/12/163019112.db2.gz MEADYXXQKCWFHX-OBMJPTGESA-N 2 0 332.488 3.001 10 0 EGAERP O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249033751 163051651 /nfs/dbraw/zinc/05/16/51/163051651.db2.gz RTRZOXDOWSLEOI-XLGPZGCCSA-N 2 0 348.490 3.430 10 0 EGAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@@H]1CC[N@@H+]([C@@H](C)c2ccccc2)C1 ZINC000343884531 164058392 /nfs/dbraw/zinc/05/83/92/164058392.db2.gz XVCWRXWOTRIDNW-FXAWDEMLSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH+]2CCC(C)(OC)CC2)CC1 ZINC000354810333 166037563 /nfs/dbraw/zinc/03/75/63/166037563.db2.gz UZAONABMSWBCPE-UHFFFAOYSA-N 2 0 345.531 3.220 10 0 EGAERP C[N@H+](CC1CC1)C[C@H]1CC[NH+](Cc2cc(-n3ccnc3)cs2)C1 ZINC000346229518 164360456 /nfs/dbraw/zinc/36/04/56/164360456.db2.gz VGYBIYVMRRHAPH-MRXNPFEDSA-N 2 0 330.501 3.098 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1CN(CCC[NH3+])c1ccccc1F ZINC000346381604 164378044 /nfs/dbraw/zinc/37/80/44/164378044.db2.gz FTUMOIKQDHJHOS-UHFFFAOYSA-N 2 0 339.418 3.070 10 0 EGAERP COc1ncccc1C[N@@H+]1CCC[C@H](c2ncc3n2CCCC3)C1 ZINC000367066817 168174762 /nfs/dbraw/zinc/17/47/62/168174762.db2.gz OIPKRACMVIREJS-HNNXBMFYSA-N 2 0 326.444 3.003 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CN1CCN(C/C=C/c2ccc(Cl)cc2)CC1 ZINC000179488796 265380148 /nfs/dbraw/zinc/38/01/48/265380148.db2.gz BDISNDZHTMGOMQ-DPZZJQGRSA-N 2 0 347.934 3.455 10 0 EGAERP Cc1nc2c(s1)[C@H]([NH2+][C@H]1CCO[C@H](c3cncn3C)C1)CCC2 ZINC000278893058 275285156 /nfs/dbraw/zinc/28/51/56/275285156.db2.gz DXUMBMBGLBFFTP-BJJXKVORSA-N 2 0 332.473 3.072 10 0 EGAERP CCN(C(=O)C[NH+](CC)C1CC1)[C@@H]1CC[N@@H+]([C@H](C)c2ccccc2)C1 ZINC000343885618 276310916 /nfs/dbraw/zinc/31/09/16/276310916.db2.gz XVCWRXWOTRIDNW-YLJYHZDGSA-N 2 0 343.515 3.155 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NCC[N@@H+]1CCCC[C@H]1C)c1ccccc1 ZINC000354249685 276337804 /nfs/dbraw/zinc/33/78/04/276337804.db2.gz APZFKMFGNUOZOJ-MJGOQNOKSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@@H]1C[N@@H+](CCCC[NH2+][C@@H]2CCCC[C@@H]2[C@@H]2CCOC2)C[C@H](C)O1 ZINC000353249511 288160150 /nfs/dbraw/zinc/16/01/50/288160150.db2.gz MSUGNZHWPPGMRH-USYVTKNRSA-N 2 0 338.536 3.061 10 0 EGAERP CC(C)[C@H](C[NH2+][C@@H](C)c1cc2c(s1)CCC2)N1CC[NH+](C)CC1 ZINC000132490990 307658629 /nfs/dbraw/zinc/65/86/29/307658629.db2.gz MNMZTZKIOJJFHA-RDJZCZTQSA-N 2 0 335.561 3.159 10 0 EGAERP COc1cc(Br)ccc1C[NH2+][C@@H]1CCCC[C@H]1C[NH3+] ZINC000414796289 309102027 /nfs/dbraw/zinc/10/20/27/309102027.db2.gz HHNLDQRZQGWNJY-SMDDNHRTSA-N 2 0 327.266 3.065 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000414822598 309103746 /nfs/dbraw/zinc/10/37/46/309103746.db2.gz NDZLKSWBGYSJHF-MBNYWOFBSA-N 2 0 343.284 3.497 10 0 EGAERP CCc1cc(N(C)CC2CC[NH+](C[C@@H](C)O)CC2)c2ccccc2[nH+]1 ZINC000301798941 308715707 /nfs/dbraw/zinc/71/57/07/308715707.db2.gz RFODXSXIXAWPEH-MRXNPFEDSA-N 2 0 341.499 3.326 10 0 EGAERP c1ccc(OCCCCC[NH2+]C2CCC([NH+]3CCNCC3)CC2)cc1 ZINC000415052456 309116689 /nfs/dbraw/zinc/11/66/89/309116689.db2.gz LHSQKWJDAKOGCP-UHFFFAOYSA-N 2 0 345.531 3.042 10 0 EGAERP CCc1oc2ccccc2c1C[NH2+]C1CCC([NH+]2CCNCC2)CC1 ZINC000415053838 309116984 /nfs/dbraw/zinc/11/69/84/309116984.db2.gz MXIXKEUCXTWDTJ-UHFFFAOYSA-N 2 0 341.499 3.301 10 0 EGAERP CC(C)C[C@H]([NH3+])C[NH2+][C@@H](C)Cc1ccc(F)c(Br)c1 ZINC000415076567 309118474 /nfs/dbraw/zinc/11/84/74/309118474.db2.gz CVZGVYCJRIRETL-AAEUAGOBSA-N 2 0 331.273 3.482 10 0 EGAERP [NH3+][C@H]1CCCO[C@H]1C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000415103019 309120522 /nfs/dbraw/zinc/12/05/22/309120522.db2.gz FIUUPJNPGIMVOL-PMACEKPBSA-N 2 0 332.488 3.064 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000415927695 309149265 /nfs/dbraw/zinc/14/92/65/309149265.db2.gz DRJIYAXPZKHXNC-KRWDZBQOSA-N 2 0 344.503 3.136 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000415945625 309150569 /nfs/dbraw/zinc/15/05/69/309150569.db2.gz RTEPLGRJEPYLTC-UHFFFAOYSA-N 2 0 340.471 3.179 10 0 EGAERP CCn1nncc1C[NH2+]Cc1ccccc1-c1ccc(C[NH+](C)C)cc1 ZINC000417853481 309225233 /nfs/dbraw/zinc/22/52/33/309225233.db2.gz GHBNWFZUHPFOPL-UHFFFAOYSA-N 2 0 349.482 3.316 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2ccc(Cl)cc2)CC[NH2+]CC1 ZINC000422740884 309366037 /nfs/dbraw/zinc/36/60/37/309366037.db2.gz CLJPAGDWPXXMKU-KGLIPLIRSA-N 2 0 338.879 3.312 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)ccc1F ZINC000422743376 309366199 /nfs/dbraw/zinc/36/61/99/309366199.db2.gz IKKJEUYDWPQCTN-DFQSSKMNSA-N 3 0 333.495 3.288 10 0 EGAERP COc1cccc(N2CCC[C@H]([NH2+][C@@H]3CCC[C@@H]3[C@H]3CCC[NH2+]3)C2)c1 ZINC000422752640 309366732 /nfs/dbraw/zinc/36/67/32/309366732.db2.gz CUHJSRNICNRPIR-LLUDDFSJSA-N 2 0 343.515 3.174 10 0 EGAERP CC[NH+]1CCC(CCN[C@@H](c2ccc(OC)cc2)[C@@H]2CCC[NH2+]2)CC1 ZINC000422795048 309368601 /nfs/dbraw/zinc/36/86/01/309368601.db2.gz ZMQWANUWDOYWRM-SFTDATJTSA-N 2 0 345.531 3.200 10 0 EGAERP CC[C@@H](C[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C)Oc1ccccc1F ZINC000422814897 309369936 /nfs/dbraw/zinc/36/99/36/309369936.db2.gz ALNVIBXXFSTHSU-BBRMVZONSA-N 2 0 331.435 3.496 10 0 EGAERP c1cn(Cc2ccc(C[NH2+][C@@H]3CCC[C@H]3[C@@H]3CCCC[NH2+]3)cc2)cn1 ZINC000422836700 309371079 /nfs/dbraw/zinc/37/10/79/309371079.db2.gz RSYZAJLANUIASG-PCCBWWKXSA-N 2 0 338.499 3.332 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@@H]1[NH2+]Cc1ccc(Oc2ccc(F)cc2)nc1 ZINC000422903212 309375381 /nfs/dbraw/zinc/37/53/81/309375381.db2.gz VTCPAECXLIPWJS-KDOFPFPSSA-N 2 0 329.419 3.491 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+][C@H]2C[C@@H]([NH3+])c3ccccc32)cc1OC ZINC000422927024 309376581 /nfs/dbraw/zinc/37/65/81/309376581.db2.gz XXVFNTPVJYTHQX-VHSSKADRSA-N 2 0 326.440 3.369 10 0 EGAERP CCC1(C[NH2+][C@H](C)[C@@H]2CCC[NH2+]2)CC[NH+](Cc2ccccc2)CC1 ZINC000423002130 309380343 /nfs/dbraw/zinc/38/03/43/309380343.db2.gz IWAAJGDVFRMFBA-QUCCMNQESA-N 3 0 329.532 3.409 10 0 EGAERP C[C@@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC1CCN(c2ccccc2)CC1 ZINC000423082317 309385048 /nfs/dbraw/zinc/38/50/48/309385048.db2.gz DDXHKISXMIRORD-GCJKJVERSA-N 2 0 337.511 3.451 10 0 EGAERP COC[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccc(Cl)cc1 ZINC000423189658 309389747 /nfs/dbraw/zinc/38/97/47/309389747.db2.gz PYIAYTNPBGNTAT-GOSISDBHSA-N 2 0 333.863 3.192 10 0 EGAERP c1c[nH]c([C@@H](NCCC[NH2+]Cc2cccnc2)C2CCCCC2)n1 ZINC000423191276 309389965 /nfs/dbraw/zinc/38/99/65/309389965.db2.gz SOKUCNKZFHWWIJ-SFHVURJKSA-N 2 0 327.476 3.196 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CC[C@@H]2CCC[NH2+]C2)nnn1-c1ccc(Cl)cc1 ZINC000423257004 309392613 /nfs/dbraw/zinc/39/26/13/309392613.db2.gz HAKVZLFVUWGHDY-HIFRSBDPSA-N 2 0 347.894 3.269 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(NC(C)=O)cc2OC)CC1 ZINC000438985012 309823913 /nfs/dbraw/zinc/82/39/13/309823913.db2.gz MEHIEUQCMDCIKW-OAHLLOKOSA-N 2 0 347.503 3.426 10 0 EGAERP CCC[N@@H+]1CC[C@@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000449090287 310036242 /nfs/dbraw/zinc/03/62/42/310036242.db2.gz GIWLLJNDLLWEPA-CTNGQTDRSA-N 2 0 343.559 3.404 10 0 EGAERP Cc1nc2n(n1)C[C@@H]([NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1)CC2 ZINC000449117994 310038479 /nfs/dbraw/zinc/03/84/79/310038479.db2.gz QXVFRORSTKECCV-KRWDZBQOSA-N 2 0 347.551 3.170 10 0 EGAERP C[C@@H](CNC1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)[N@H+](C)C1CC1 ZINC000449133107 310039435 /nfs/dbraw/zinc/03/94/35/310039435.db2.gz CMJKLTFRACNMRZ-ROUUACIJSA-N 2 0 329.532 3.154 10 0 EGAERP CSC[C@](C)(O)C[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449166203 310041714 /nfs/dbraw/zinc/04/17/14/310041714.db2.gz ZFPMQOQMDUQVQM-GOSISDBHSA-N 2 0 330.582 3.369 10 0 EGAERP COCCOC[C@H](C)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449169429 310041865 /nfs/dbraw/zinc/04/18/65/310041865.db2.gz CXMFGJDLFUKDRX-INIZCTEOSA-N 2 0 328.541 3.307 10 0 EGAERP CC[C@H](C[C@@H](C)CO)[NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1 ZINC000449176592 310042371 /nfs/dbraw/zinc/04/23/71/310042371.db2.gz QJFBNCXZBMCBCZ-WSTZPKSXSA-N 2 0 332.532 3.469 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@](C)(COC)C2)CC1 ZINC000449398824 310058768 /nfs/dbraw/zinc/05/87/68/310058768.db2.gz ZAORZOBQLKOOOH-NRFANRHFSA-N 2 0 345.531 3.077 10 0 EGAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+](CC23CCC(CC2)C3)CC1 ZINC000450264665 310111846 /nfs/dbraw/zinc/11/18/46/310111846.db2.gz GLOYZKXIXCLXJJ-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CCCC[NH2+][C@@H]1CC[N@H+](Cc2ccccc2)[C@@H]2CCC[C@@H]21 ZINC000453092380 310257316 /nfs/dbraw/zinc/25/73/16/310257316.db2.gz RALYHHYOGZQDIH-NJDAHSKKSA-N 3 0 329.532 3.361 10 0 EGAERP Cc1ccc(OC(F)F)c([C@H](C)[NH2+]C[C@@H]2CCCCN2CCO)c1 ZINC000453273244 310268490 /nfs/dbraw/zinc/26/84/90/310268490.db2.gz VNGJIDWYDOTMMO-GJZGRUSLSA-N 2 0 342.430 3.094 10 0 EGAERP C[C@@H](Cc1cnn(C)c1)[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000453360938 310272920 /nfs/dbraw/zinc/27/29/20/310272920.db2.gz UCYMSUSUIPXXJR-DVWBAYGPSA-N 2 0 338.499 3.136 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]Cc2ccc(C(=O)OC(C)(C)C)cc2)CC1 ZINC000462788170 310605845 /nfs/dbraw/zinc/60/58/45/310605845.db2.gz DSNYKAJBIGDHLK-UHFFFAOYSA-N 2 0 332.488 3.463 10 0 EGAERP CC(C)C[C@H](C[NH2+]CCN1CCC([NH+](C)C)CC1)c1ccccc1 ZINC000474866392 310800618 /nfs/dbraw/zinc/80/06/18/310800618.db2.gz DMHOQGLHOIJJQG-HXUWFJFHSA-N 2 0 331.548 3.432 10 0 EGAERP C[C@@H]1CN(C2CC2)C[C@@H]1[NH2+][C@H]1CCN(Cc2ccccc2)CC1(C)C ZINC000510994197 312152595 /nfs/dbraw/zinc/15/25/95/312152595.db2.gz AGRFRZUHPXOYRD-QMMLZNLJSA-N 2 0 341.543 3.359 10 0 EGAERP CC[C@H](C[NH+]1CCN(C[C@@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684012 312215118 /nfs/dbraw/zinc/21/51/18/312215118.db2.gz OCTFYCHMMPCMQN-CTNGQTDRSA-N 2 0 329.532 3.282 10 0 EGAERP CC[C@@H](C[NH+]1CCN(C[C@H]2CCCC[N@@H+]2C)CC1)c1ccccc1 ZINC000513684014 312215141 /nfs/dbraw/zinc/21/51/41/312215141.db2.gz OCTFYCHMMPCMQN-PZJWPPBQSA-N 2 0 329.532 3.282 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)[C@@H]2CCC[C@H]21 ZINC000513697639 312215605 /nfs/dbraw/zinc/21/56/05/312215605.db2.gz PZQYZLOUYJPLPB-GBESFXJTSA-N 2 0 343.446 3.486 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538062767 314225494 /nfs/dbraw/zinc/22/54/94/314225494.db2.gz OHSLDSBDNQRUJD-OXQOHEQNSA-N 2 0 333.495 3.201 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@@H]2CCO[C@@H](C(C)(C)C)C2)[C@@H](C)C1 ZINC000539044774 314291924 /nfs/dbraw/zinc/29/19/24/314291924.db2.gz SMYGWZFLOUCQAY-ZSYWTGECSA-N 2 0 340.552 3.307 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCCO[C@@H]1CC(C)C ZINC000548478015 315015011 /nfs/dbraw/zinc/01/50/11/315015011.db2.gz GGJHUOJTWHFUMS-RTBURBONSA-N 2 0 328.460 3.259 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@H]1CCCC12CCOCC2 ZINC000548846917 315054631 /nfs/dbraw/zinc/05/46/31/315054631.db2.gz SRNCPRGAPGVODS-SFHVURJKSA-N 2 0 326.444 3.015 10 0 EGAERP C[N@H+](Cc1ccccc1)C1CCC([NH2+]C2CCC(C(N)=O)CC2)CC1 ZINC000552040124 315191835 /nfs/dbraw/zinc/19/18/35/315191835.db2.gz AMICCABPRWVRIM-UHFFFAOYSA-N 2 0 343.515 3.063 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+][C@@H]2CCN(c3cccc(Cl)c3)C2)[C@H]2CCC[C@H]21 ZINC000552245401 315208783 /nfs/dbraw/zinc/20/87/83/315208783.db2.gz ZJOJGCVZRUEPPF-OQIJWPOYSA-N 2 0 333.907 3.381 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000555092765 315366072 /nfs/dbraw/zinc/36/60/72/315366072.db2.gz TTXPRHCKAYFQHO-UHFFFAOYSA-N 2 0 331.548 3.142 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000561894978 315787275 /nfs/dbraw/zinc/78/72/75/315787275.db2.gz YMHONSCSNIZQLW-LJQANCHMSA-N 2 0 328.435 3.027 10 0 EGAERP Cc1cc(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)cc(C)c1O ZINC000561948521 315790281 /nfs/dbraw/zinc/79/02/81/315790281.db2.gz FHLLVEBHABNLFV-UHFFFAOYSA-N 2 0 342.483 3.282 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)NC(=O)CC[C@H]1CCCC[NH+]1C ZINC000563931189 316091932 /nfs/dbraw/zinc/09/19/32/316091932.db2.gz NETHZYOGISFLOJ-LJQANCHMSA-N 2 0 345.531 3.278 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2ncc(-c3ccccc3)n2C)CC1 ZINC000571018877 317139702 /nfs/dbraw/zinc/13/97/02/317139702.db2.gz XXWLBDBNEQTMIS-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP C[C@H]1CCCC[N@@H+]1C[C@H]1CCCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000572049773 317283416 /nfs/dbraw/zinc/28/34/16/317283416.db2.gz YIUIGZFFGGQIIR-ICSRJNTNSA-N 2 0 341.543 3.419 10 0 EGAERP O=C(CC[NH2+]C1CC[NH+](C2CCC2)CC1)Nc1cccc(Cl)c1 ZINC000579583086 325130340 /nfs/dbraw/zinc/13/03/40/325130340.db2.gz CDYUPJHBGBPRMI-UHFFFAOYSA-N 2 0 335.879 3.275 10 0 EGAERP Cc1c(Cl)cccc1NC(=O)[C@H](C)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000581012012 325320650 /nfs/dbraw/zinc/32/06/50/325320650.db2.gz OILAZEOATOFCIJ-KBXCAEBGSA-N 2 0 335.879 3.051 10 0 EGAERP O=C(CCC1CC[NH2+]CC1)NCc1ccccc1C[NH+]1CCCCC1 ZINC000237959265 455238471 /nfs/dbraw/zinc/23/84/71/455238471.db2.gz XLUGQGIATURYSM-UHFFFAOYSA-N 2 0 343.515 3.069 10 0 EGAERP Cc1ccc(CN[C@@H]2CC[N@@H+](C)C(C)(C)C2)c(O[C@@H]2CCOC2)c1 ZINC000623446615 460554075 /nfs/dbraw/zinc/55/40/75/460554075.db2.gz KWIXSXUHTAZACO-QZTJIDSGSA-N 2 0 332.488 3.125 10 0 EGAERP C[C@H](C[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1)c1nc(-c2ccccc2)no1 ZINC000623475603 460570003 /nfs/dbraw/zinc/57/00/03/460570003.db2.gz UDVXCUWPGVOEHH-ZBFHGGJFSA-N 2 0 328.460 3.303 10 0 EGAERP c1cncc(COc2ccc(C[N@@H+]3CCC[C@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC000631889246 460589724 /nfs/dbraw/zinc/58/97/24/460589724.db2.gz GIKXONZJSRPYHR-FPOVZHCZSA-N 2 0 337.467 3.235 10 0 EGAERP C[C@@H]1C[C@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000245679780 455354603 /nfs/dbraw/zinc/35/46/03/455354603.db2.gz IQBNEOWUVRWBKG-QOXYCXOJSA-N 2 0 339.527 3.397 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cccc(Br)c2)CC1(C)C ZINC000623546522 460605707 /nfs/dbraw/zinc/60/57/07/460605707.db2.gz FGOITBIQCSJQQC-HNNXBMFYSA-N 2 0 325.294 3.454 10 0 EGAERP C[C@H]([NH2+]CCCC[NH+](C)C)c1ccc(I)cc1 ZINC000045664011 454172896 /nfs/dbraw/zinc/17/28/96/454172896.db2.gz FYNJPXRDHCDUSK-LBPRGKRZSA-N 2 0 346.256 3.284 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)c1ccc([S@@](C)=O)cc1 ZINC000120937279 454366410 /nfs/dbraw/zinc/36/64/10/454366410.db2.gz JILSHXWPGCGMBU-BSEYFRJRSA-N 2 0 348.487 3.476 10 0 EGAERP Cc1n[nH]c(C)c1C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1 ZINC000097113864 454411805 /nfs/dbraw/zinc/41/18/05/454411805.db2.gz XRQVRODQKDDCNW-UHFFFAOYSA-N 2 0 327.476 3.160 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@H](C[NH+]2CCCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000103200710 454542451 /nfs/dbraw/zinc/54/24/51/454542451.db2.gz JHLJTXCGTSDYAE-ZGXWSNOMSA-N 2 0 349.563 3.362 10 0 EGAERP Cc1nccn1C[C@@H]1CCC[N@H+]1Cc1ccc(C(=O)OC(C)C)cc1 ZINC000135127346 454635864 /nfs/dbraw/zinc/63/58/64/454635864.db2.gz RXPOZJCXJLTDHH-IBGZPJMESA-N 2 0 341.455 3.421 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2cc(F)ccc2F)CC1 ZINC000052210089 454660835 /nfs/dbraw/zinc/66/08/35/454660835.db2.gz MQIQSPWDYBTYPV-IBGZPJMESA-N 2 0 340.458 3.442 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2cccc(C(F)(F)F)c2)CC1 ZINC000106126880 454681897 /nfs/dbraw/zinc/68/18/97/454681897.db2.gz AVSGVKCDRVJOCP-AWEZNQCLSA-N 2 0 344.421 3.230 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)Cc2csc3ccccc23)CC1 ZINC000170941981 455002496 /nfs/dbraw/zinc/00/24/96/455002496.db2.gz YZPJUDNDSUMZRR-HNNXBMFYSA-N 2 0 332.513 3.426 10 0 EGAERP Cc1nn(C)cc1[C@H](C)[NH2+][C@@H]1CC[C@H]2C[N@H+](Cc3ccccc3)C[C@@H]21 ZINC000180163821 455142715 /nfs/dbraw/zinc/14/27/15/455142715.db2.gz RQYOZIFOZRVYHX-CEDBRAGKSA-N 2 0 338.499 3.290 10 0 EGAERP CCCN(CCC)C(=O)C[NH2+][C@H](C)c1cccc(-n2ccnc2)c1 ZINC000180651359 455218525 /nfs/dbraw/zinc/21/85/25/455218525.db2.gz SRDHLXYFGGFJPQ-MRXNPFEDSA-N 2 0 328.460 3.172 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCCc2nc(-c3ccccc3)no2)[C@@H](C)C1 ZINC000245432599 455298093 /nfs/dbraw/zinc/29/80/93/455298093.db2.gz OSCZJEJDNYFADX-FUHWJXTLSA-N 2 0 342.487 3.331 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN[C@@H]1C[C@H]2CC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC000245639564 455345646 /nfs/dbraw/zinc/34/56/46/455345646.db2.gz ALJBVAXOOVHTPK-BURNTYAHSA-N 2 0 327.516 3.256 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1[NH2+]C[C@H]1COC2(CCCC2)O1 ZINC000271686190 455721518 /nfs/dbraw/zinc/72/15/18/455721518.db2.gz JWPYBIOPKRJGKW-YZGWKJHDSA-N 2 0 344.499 3.172 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@](C)(O)c1ccccc1 ZINC000268919937 455730243 /nfs/dbraw/zinc/73/02/43/455730243.db2.gz WKMOGQLROMFRRD-COPCDDAFSA-N 2 0 338.495 3.394 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1ccccc1 ZINC000268919934 455730563 /nfs/dbraw/zinc/73/05/63/455730563.db2.gz WKMOGQLROMFRRD-BVYCBKJFSA-N 2 0 338.495 3.394 10 0 EGAERP CC(C)[C@@H](C[NH2+][C@H](c1ccc(F)cc1)C1CC1)N1CC[NH+](C)CC1 ZINC000271734234 455738084 /nfs/dbraw/zinc/73/80/84/455738084.db2.gz CUWIOMQMTQYXJG-UXHICEINSA-N 2 0 333.495 3.138 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@](C)(O)c1ccsc1 ZINC000268973578 455750105 /nfs/dbraw/zinc/75/01/05/455750105.db2.gz IQFDSKBTIGZFPO-LSTHTHJFSA-N 2 0 344.524 3.456 10 0 EGAERP C[NH+]1CCC(O)(C[NH2+][C@H]2CC3(CCCCC3)Oc3ccccc32)CC1 ZINC000270023894 455859892 /nfs/dbraw/zinc/85/98/92/455859892.db2.gz OUVICAGGHVFBHB-SFHVURJKSA-N 2 0 344.499 3.259 10 0 EGAERP Cn1ccnc1C[N@H+](CCC1CCCCC1)[C@H]1CC12CC[NH2+]CC2 ZINC000261833625 455956318 /nfs/dbraw/zinc/95/63/18/455956318.db2.gz JFDFLEGACGYSDN-SFHVURJKSA-N 2 0 330.520 3.335 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@H](C)C1 ZINC000188000882 455978728 /nfs/dbraw/zinc/97/87/28/455978728.db2.gz KCPVECSVZGCZLY-BEFAXECRSA-N 2 0 335.923 3.018 10 0 EGAERP CC[C@@H]([NH2+]C1CCN(C)CC1)[C@@H]1CCCCN1C(=O)OC(C)(C)C ZINC000188648623 456103764 /nfs/dbraw/zinc/10/37/64/456103764.db2.gz ISNYFQDBYHKOQW-SJORKVTESA-N 2 0 339.524 3.238 10 0 EGAERP C[C@H]1CN(c2ccccc2C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)CCO1 ZINC000297318100 456184465 /nfs/dbraw/zinc/18/44/65/456184465.db2.gz CCKCBKWLBQTTTE-OHSMVPPVSA-N 2 0 343.515 3.017 10 0 EGAERP CCc1nnc(CN[C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)s1 ZINC000273174872 456201059 /nfs/dbraw/zinc/20/10/59/456201059.db2.gz PKAOBSBATSBUAB-GOEBONIOSA-N 2 0 330.501 3.101 10 0 EGAERP C[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C(C)(C)n1cncn1 ZINC000340473126 456480597 /nfs/dbraw/zinc/48/05/97/456480597.db2.gz LMGRUCUYQVNHFH-KRWDZBQOSA-N 2 0 341.503 3.177 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccc2c(c1)OCCO2)Cc1ccco1 ZINC000353558896 456759855 /nfs/dbraw/zinc/75/98/55/456759855.db2.gz YPGCMGJTKNHMJB-UHFFFAOYSA-N 2 0 330.428 3.005 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)c1ccc(C[NH+]2CCCCC2)cc1 ZINC000348842535 456881145 /nfs/dbraw/zinc/88/11/45/456881145.db2.gz UUKPBSGWYUNQPT-QGZVFWFLSA-N 2 0 331.504 3.133 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)CCCN1Cc1ccccc1 ZINC000401148741 457524531 /nfs/dbraw/zinc/52/45/31/457524531.db2.gz OZGDXRJMZOAJLO-UWHLTILDSA-N 2 0 327.516 3.019 10 0 EGAERP C[C@@H](CCc1cccc(F)c1)[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000374712513 457692419 /nfs/dbraw/zinc/69/24/19/457692419.db2.gz CZICHOIEDYAMOU-LVCYWYKZSA-N 2 0 347.522 3.105 10 0 EGAERP CC(CC[NH+](C)CC1CCOCC1)CC[N@H+](C)CC1CCOCC1 ZINC000411433476 457887049 /nfs/dbraw/zinc/88/70/49/457887049.db2.gz ACLXOXSNYDZBAT-UHFFFAOYSA-N 2 0 340.552 3.120 10 0 EGAERP CC[NH+]1CCC(NC(=O)C[NH2+][C@H](CC(C)C)c2cccs2)CC1 ZINC000411511209 457905703 /nfs/dbraw/zinc/90/57/03/457905703.db2.gz IFIGPRGWGMZAPH-MRXNPFEDSA-N 2 0 337.533 3.025 10 0 EGAERP C[C@@H](NC(=O)C1(C[NH+](C)C)CCCCC1)[C@H]1CCC[N@@H+](C2CCC2)C1 ZINC000427451235 457989303 /nfs/dbraw/zinc/98/93/03/457989303.db2.gz PEBYFWXRHCKKSO-MSOLQXFVSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000427616760 458008157 /nfs/dbraw/zinc/00/81/57/458008157.db2.gz ZMTQVNWWEDRLAT-WFASDCNBSA-N 2 0 327.394 3.409 10 0 EGAERP C[NH+](C)CCN(Cc1ccccc1)C(=O)C1(C[NH+](C)C)CCCCC1 ZINC000358605290 458104437 /nfs/dbraw/zinc/10/44/37/458104437.db2.gz UQKIHJYRTOIQML-UHFFFAOYSA-N 2 0 345.531 3.089 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@H]32)cc1OC ZINC000375895936 458112465 /nfs/dbraw/zinc/11/24/65/458112465.db2.gz RCVJAUVGCUDHIH-GDAAHCPNSA-N 2 0 346.515 3.345 10 0 EGAERP COCCCOc1ccc(C[NH2+][C@@H]2CC[N@H+](C)[C@@H]3CCC[C@@H]32)cc1 ZINC000375896435 458114654 /nfs/dbraw/zinc/11/46/54/458114654.db2.gz WUADCPUKPSFXKW-VAMGGRTRSA-N 2 0 332.488 3.064 10 0 EGAERP CCc1nc(C)c(C[N@@H+]2CCC[C@@H](c3ncc4n3CCCC4)C2)o1 ZINC000428963346 458242048 /nfs/dbraw/zinc/24/20/48/458242048.db2.gz OWVQNEZZGJZHRN-OAHLLOKOSA-N 2 0 328.460 3.458 10 0 EGAERP C[N@@H+]1CCC[C@H](N2CC[NH+]([C@H]3CC[C@@](C)(c4ccccc4)C3)CC2)C1 ZINC000372670865 458314074 /nfs/dbraw/zinc/31/40/74/458314074.db2.gz BJAGOJMZCVTYGX-FDFHNCONSA-N 2 0 341.543 3.209 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2cc(=O)[nH]c(-c3ccccc3)n2)[C@H](C)C1 ZINC000459366562 458345372 /nfs/dbraw/zinc/34/53/72/458345372.db2.gz BEHLCQNDVNKITN-CRAIPNDOSA-N 2 0 340.471 3.011 10 0 EGAERP C[NH+]1CCC(C[NH2+]CCc2cccc(Cl)c2)(N2CCCCC2)CC1 ZINC000459421642 458366231 /nfs/dbraw/zinc/36/62/31/458366231.db2.gz MRRNVVGQNNXRCY-UHFFFAOYSA-N 2 0 349.950 3.422 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1ccc2c(c1)CCCC2 ZINC000423499379 458443841 /nfs/dbraw/zinc/44/38/41/458443841.db2.gz ARUPVWRZFWKILG-YTXWROIDSA-N 2 0 341.543 3.432 10 0 EGAERP CC[C@@H]([NH2+]C1CCC(N2CC[NH2+]CC2)CC1)c1ccc(F)cc1F ZINC000423501899 458444579 /nfs/dbraw/zinc/44/45/79/458444579.db2.gz DKNMDXIXRATBAF-LADRWXRNSA-N 2 0 337.458 3.222 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+](C)[C@H](C)Cc2cccc(F)c2)CC1 ZINC000459753913 458468531 /nfs/dbraw/zinc/46/85/31/458468531.db2.gz DIVQBVNRKOJMHF-GOSISDBHSA-N 2 0 335.511 3.105 10 0 EGAERP C[C@@H]([NH3+])c1ccc(C(=O)N(C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)cc1 ZINC000423716732 458475966 /nfs/dbraw/zinc/47/59/66/458475966.db2.gz YAVXJNQKVILFOV-OXQOHEQNSA-N 2 0 337.467 3.053 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)C[C@@H](O)Cc2ccc3ccccc3c2)[C@@H](C)C1 ZINC000470774231 458649484 /nfs/dbraw/zinc/64/94/84/458649484.db2.gz RPGQSYFIIOSIHE-HSQYWUDLSA-N 2 0 340.511 3.405 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CCCc2nc(-c3cccs3)no2)[C@@H](C)C1 ZINC000471235013 458686956 /nfs/dbraw/zinc/68/69/56/458686956.db2.gz KXHATTPSJKTVMA-GJZGRUSLSA-N 2 0 348.516 3.393 10 0 EGAERP C[C@H](NCC[N@@H+]1CCCC[C@H]1C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000547504390 458751591 /nfs/dbraw/zinc/75/15/91/458751591.db2.gz FGJVAAAWEDTFIU-SVFBPWRDSA-N 2 0 329.532 3.361 10 0 EGAERP CC(C)C[C@@H](C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000474735507 458898741 /nfs/dbraw/zinc/89/87/41/458898741.db2.gz XZIWUBUSGGZLOX-CTNGQTDRSA-N 2 0 331.548 3.289 10 0 EGAERP COC(=O)c1ccc2c(c1)[C@H]([NH2+][C@H]1CC[N@@H+]3CCC[C@@H]3C1)CCC2 ZINC000594493762 459059562 /nfs/dbraw/zinc/05/95/62/459059562.db2.gz KJRDXLNRHGPGTC-YQVWRLOYSA-N 2 0 328.456 3.067 10 0 EGAERP COc1cncc(/C=C/CC[N@@H+]2CC[C@H](C)[C@@H](n3ccnc3)C2)c1 ZINC000567381837 459097314 /nfs/dbraw/zinc/09/73/14/459097314.db2.gz NBBPYDXCWTUHKZ-JLCHBGMNSA-N 2 0 326.444 3.273 10 0 EGAERP Cc1cccn2cc(-c3ccc(NC(=O)[C@H]4CC[N@@H+](C)C4)cc3)nc12 ZINC000521358839 459143500 /nfs/dbraw/zinc/14/35/00/459143500.db2.gz BNKGKVYWLVOLRP-INIZCTEOSA-N 2 0 334.423 3.200 10 0 EGAERP Cc1nsc(C)c1C[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000578140160 459151847 /nfs/dbraw/zinc/15/18/47/459151847.db2.gz AMSDOHUVXFWAKG-UHFFFAOYSA-N 2 0 337.533 3.084 10 0 EGAERP CC(C)c1ccccc1OC[C@@H](O)C[NH2+]C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000559580905 459266657 /nfs/dbraw/zinc/26/66/57/459266657.db2.gz DDNAPTWUGAZOQW-KRWDZBQOSA-N 2 0 348.531 3.449 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@@H](C)C[C@H]1[NH2+]CCc1ccccc1Br ZINC000481721312 459271484 /nfs/dbraw/zinc/27/14/84/459271484.db2.gz VRCQUXOIRXUOIL-DVOMOZLQSA-N 2 0 325.294 3.310 10 0 EGAERP CC(C)[N@@H+]1CC[C@H](CNC2CC[NH+]([C@H](C)Cc3ccccc3)CC2)C1 ZINC000560144960 459304457 /nfs/dbraw/zinc/30/44/57/459304457.db2.gz GDPKTJYEHAKPEO-TZIWHRDSSA-N 2 0 343.559 3.402 10 0 EGAERP COC[C@H]([NH2+]Cc1ccccc1C[NH+]1CCCCC1)C1CCOCC1 ZINC000526107111 459548949 /nfs/dbraw/zinc/54/89/49/459548949.db2.gz YNTIVJOYAQTBHV-NRFANRHFSA-N 2 0 346.515 3.204 10 0 EGAERP CC(C)(C)OC(=O)[C@@H]1CC[C@H]([NH2+]C2CCN(c3cc[nH+]cc3)CC2)C1 ZINC000592530508 459627308 /nfs/dbraw/zinc/62/73/08/459627308.db2.gz YTVJSNBTSGLQGW-WBVHZDCISA-N 2 0 345.487 3.150 10 0 EGAERP COC(=O)C(C)(C)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000527518653 459652844 /nfs/dbraw/zinc/65/28/44/459652844.db2.gz FUNRRHXITXYKPD-YQQQUEKLSA-N 2 0 344.499 3.361 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](Cc2ccccc2C[NH2+]C[C@H](O)C(F)(F)F)C1 ZINC000562984405 459685990 /nfs/dbraw/zinc/68/59/90/459685990.db2.gz HFUBGYNQGPIXDS-VBQJREDUSA-N 2 0 344.421 3.177 10 0 EGAERP COC(=O)c1ccc(C[NH2+]C(C)(C)CCC[NH+](C)C)cc1Cl ZINC000597138446 459850109 /nfs/dbraw/zinc/85/01/09/459850109.db2.gz QUZAFVWNSNHHLF-UHFFFAOYSA-N 2 0 326.868 3.337 10 0 EGAERP COC(=O)CCC[NH+]1CCC(Nc2[nH+]ccc(C)c2C2CC2)CC1 ZINC000597192416 459869914 /nfs/dbraw/zinc/86/99/14/459869914.db2.gz QYYOZXRVXLSMRH-UHFFFAOYSA-N 2 0 331.460 3.097 10 0 EGAERP CCOC(=O)c1[nH]c(C)c(C[NH2+]C2CCC(C[NH+](C)C)CC2)c1C ZINC000598971229 460110090 /nfs/dbraw/zinc/11/00/90/460110090.db2.gz SJRFQXYTPYEJDY-UHFFFAOYSA-N 2 0 335.492 3.018 10 0 EGAERP C(C[NH+]1CC[C@H]2CC[C@@H](C1)S2)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000625776819 460260594 /nfs/dbraw/zinc/26/05/94/460260594.db2.gz QBTYCRVEEWIVPK-NCOADZHNSA-N 2 0 326.575 3.316 10 0 EGAERP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2ccc(OC[C@H]3CCCO3)cc2)C1 ZINC000634732958 460497451 /nfs/dbraw/zinc/49/74/51/460497451.db2.gz SLBRSBTXAUDBLG-IEBWSBKVSA-N 2 0 332.488 3.112 10 0 EGAERP CC1(C)C[NH2+]CC[C@@H]([NH2+]Cc2c[nH]nc2-c2c(F)cccc2F)C1 ZINC000634732533 460498721 /nfs/dbraw/zinc/49/87/21/460498721.db2.gz IPPUCZXTYPVZBN-CYBMUJFWSA-N 2 0 334.414 3.223 10 0 EGAERP COc1cc([C@H](C)N[C@@H]2CC[N@H+](C)C(C)(C)C2)cc(OC)c1OC ZINC000623357948 460506785 /nfs/dbraw/zinc/50/67/85/460506785.db2.gz IKRPYVJAZOVYHT-DZGCQCFKSA-N 2 0 336.476 3.236 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1(C)C ZINC000623374394 460514859 /nfs/dbraw/zinc/51/48/59/460514859.db2.gz DANIAOUUGWBDJQ-GOSISDBHSA-N 2 0 334.479 3.336 10 0 EGAERP C[N@@H+]1CC[C@@H]([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1(C)C ZINC000623404593 460530082 /nfs/dbraw/zinc/53/00/82/460530082.db2.gz CETWDWINXQWITR-MRXNPFEDSA-N 2 0 331.435 3.486 10 0 EGAERP CC(C)=CCOc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521028 460793340 /nfs/dbraw/zinc/79/33/40/460793340.db2.gz KSRLUZAXSLUNHC-SFHVURJKSA-N 2 0 346.515 3.450 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1ccc(-c2ccccc2OC)cc1 ZINC000629529080 460797379 /nfs/dbraw/zinc/79/73/79/460797379.db2.gz RCZKEOBZQJWUAU-INIZCTEOSA-N 2 0 328.456 3.249 10 0 EGAERP COc1ccc(-c2nc(C)c([C@H](C)[NH2+]CCOCCC[NH3+])s2)cc1 ZINC000629542352 460801201 /nfs/dbraw/zinc/80/12/01/460801201.db2.gz YNLPSFJLGFSSEE-ZDUSSCGKSA-N 2 0 349.500 3.143 10 0 EGAERP Fc1ccc(C[NH+]2CCCC2)cc1-c1cnn(C2CC[NH2+]CC2)c1 ZINC000629702541 460875101 /nfs/dbraw/zinc/87/51/01/460875101.db2.gz ONLTYBSDJVBTQA-UHFFFAOYSA-N 2 0 328.435 3.210 10 0 EGAERP c1ccc(N2CC[C@@H](C[NH+]3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000637889255 461105401 /nfs/dbraw/zinc/10/54/01/461105401.db2.gz LCAYTFVURDTWLS-IBGZPJMESA-N 2 0 327.516 3.463 10 0 EGAERP C[N@H+](Cc1ccccc1)[C@H]1CCN(Cc2ccc3c(c2)C[NH2+]CC3)C1 ZINC000652339282 461139891 /nfs/dbraw/zinc/13/98/91/461139891.db2.gz KVPPCKIYSCXDKV-QFIPXVFZSA-N 2 0 335.495 3.039 10 0 EGAERP Fc1ccc(C[N@H+](C[C@@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c(F)c1 ZINC000662252543 461144751 /nfs/dbraw/zinc/14/47/51/461144751.db2.gz QBNQLWCAXRPZEO-KRWDZBQOSA-N 2 0 336.426 3.230 10 0 EGAERP [NH3+]C[C@H]1C[N@H+](C[C@@H]2CC[C@@H](c3ccccc3)C2)CC12CCOCC2 ZINC000662272400 461158024 /nfs/dbraw/zinc/15/80/24/461158024.db2.gz FTYPGZXVPIQPIW-RLLQIKCJSA-N 2 0 328.500 3.258 10 0 EGAERP Clc1cccc([C@@H]2C[NH2+]CCN2Cc2cccc3c2CC[NH2+]C3)c1 ZINC000662272787 461160927 /nfs/dbraw/zinc/16/09/27/461160927.db2.gz PUXGOGOSLXJPOU-FQEVSTJZSA-N 2 0 341.886 3.132 10 0 EGAERP CCO[C@@H](C)c1nc(C[N@@H+]2CCC[C@H](C3CC[NH2+]CC3)C2)cs1 ZINC000662294232 461172316 /nfs/dbraw/zinc/17/23/16/461172316.db2.gz PZWFXYDMTCNQGF-HOCLYGCPSA-N 2 0 337.533 3.452 10 0 EGAERP C[C@H](C(=O)Nc1ccc(Cl)cc1)[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662298187 461176354 /nfs/dbraw/zinc/17/63/54/461176354.db2.gz UUVXOOJJNKZCKU-GDBMZVCRSA-N 2 0 349.906 3.379 10 0 EGAERP Cc1ccc(OCCC[N@@H+]2CCO[C@@H](CCC[NH+](C)C)C2)cc1C ZINC000662322273 461192766 /nfs/dbraw/zinc/19/27/66/461192766.db2.gz LGXZCAKMBNDQOG-FQEVSTJZSA-N 2 0 334.504 3.115 10 0 EGAERP O=C(C[C@H]1[NH2+]Cc2ccccc21)Nc1ccc(CC[NH+]2CCCC2)cc1 ZINC000659288666 461276213 /nfs/dbraw/zinc/27/62/13/461276213.db2.gz NBZGEZUDZITELM-OAQYLSRUSA-N 2 0 349.478 3.498 10 0 EGAERP C[C@]1(C2CC2)C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CCO1 ZINC000668462513 461291743 /nfs/dbraw/zinc/29/17/43/461291743.db2.gz HLKBNQULUNVKGS-OAQYLSRUSA-N 2 0 344.499 3.162 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+]1CC[C@@H](N(C)c2ccccc2)C1 ZINC000668690177 461384565 /nfs/dbraw/zinc/38/45/65/461384565.db2.gz LMUNLGWNXFIBKK-OAQYLSRUSA-N 2 0 347.466 3.286 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@H]32)CC1 ZINC000655816227 461471558 /nfs/dbraw/zinc/47/15/58/461471558.db2.gz ROSYJZCZVCYVLS-ZCNNSNEGSA-N 2 0 328.500 3.446 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+]Cc1ccnn1-c1ccccn1 ZINC000647169086 461537593 /nfs/dbraw/zinc/53/75/93/461537593.db2.gz YYBOWHPDWPJLGK-UHFFFAOYSA-N 2 0 349.482 3.399 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@H]3CC[NH+]4CCC[C@@H]4C3)CC23CC3)cc1 ZINC000647172461 461542585 /nfs/dbraw/zinc/54/25/85/461542585.db2.gz XPGLGXMZGABJPF-PCCBWWKXSA-N 2 0 339.527 3.400 10 0 EGAERP [NH3+][C@@H]1CCCO[C@@H]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655940059 461546472 /nfs/dbraw/zinc/54/64/72/461546472.db2.gz OJPPRXYKWHZEMZ-RTBURBONSA-N 2 0 338.442 3.116 10 0 EGAERP [NH3+][C@@H]1CCCO[C@H]1C1CC[NH+](CCCc2c(F)cccc2F)CC1 ZINC000655940056 461547222 /nfs/dbraw/zinc/54/72/22/461547222.db2.gz OJPPRXYKWHZEMZ-MOPGFXCFSA-N 2 0 338.442 3.116 10 0 EGAERP C[C@H]1C[N@H+](CCC[NH2+]Cc2ccc(CC(F)(F)F)cc2)CCCO1 ZINC000631122045 461567793 /nfs/dbraw/zinc/56/77/93/461567793.db2.gz MNEVWTMIGYTYCH-HNNXBMFYSA-N 2 0 344.421 3.382 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)CC[C@@H]2Sc3ccccc3NC2=O)[C@@H](C)C1 ZINC000660080828 461573599 /nfs/dbraw/zinc/57/35/99/461573599.db2.gz AZCNGBYYJQGBDE-ZVZYQTTQSA-N 2 0 347.528 3.152 10 0 EGAERP C[N@H+](CCCN1CC[NH+](C)CC1)C[C@@H]1CC[C@@H](c2ccccc2)C1 ZINC000660145802 461605372 /nfs/dbraw/zinc/60/53/72/461605372.db2.gz ZUZKJYYSVVXANC-TZIWHRDSSA-N 2 0 329.532 3.140 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@H]2CCc3cccnc3CC2)[C@H](c2ccccc2)C1 ZINC000647343872 461648400 /nfs/dbraw/zinc/64/84/00/461648400.db2.gz DXRXFWYQNIMONA-HKBOAZHASA-N 2 0 335.495 3.264 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CCC[C@H]2CCC(C)C)CC1 ZINC000663504827 461676322 /nfs/dbraw/zinc/67/63/22/461676322.db2.gz AMLXGSNWICMNGD-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP c1ccc(C[N@H+]2C[C@@H]3CCC[C@H]([NH2+]CCC[C@H]4CCO4)[C@H]3C2)cc1 ZINC000639036497 461682808 /nfs/dbraw/zinc/68/28/08/461682808.db2.gz ANOKPHYDRKBVKC-TUFLPTIASA-N 2 0 328.500 3.446 10 0 EGAERP CC(C)[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCOC1 ZINC000643346510 461697897 /nfs/dbraw/zinc/69/78/97/461697897.db2.gz YIWPXLLPZPNYNF-IBGZPJMESA-N 2 0 332.488 3.161 10 0 EGAERP c1cc(OC[C@@H]2CCCO2)ccc1C[N@@H+]1CCC[C@@H]([C@H]2CCC[NH2+]2)C1 ZINC000647480308 461726833 /nfs/dbraw/zinc/72/68/33/461726833.db2.gz JFZUPPNODXCHSC-HLAWJBBLSA-N 2 0 344.499 3.208 10 0 EGAERP Cc1ccc([C@H](Cn2ccnc2)[NH2+][C@@H]2CC[C@H]3C[NH2+]C[C@@H]3C2)c(C)c1 ZINC000647793374 461838746 /nfs/dbraw/zinc/83/87/46/461838746.db2.gz VYSGHYIVBVCILY-HUUJSLGLSA-N 2 0 338.499 3.219 10 0 EGAERP c1ccc2c(c1)O[C@H](CC[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCC[NH2+]1)CS2 ZINC000647800934 461842605 /nfs/dbraw/zinc/84/26/05/461842605.db2.gz MKPXEMMAEMVFHZ-TWMKSMIVSA-N 2 0 332.513 3.440 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1ccc2c(c1)OC(F)(F)O2 ZINC000647801472 461843551 /nfs/dbraw/zinc/84/35/51/461843551.db2.gz WSRNWYULGLJKFP-JTQLQIEISA-N 2 0 335.354 3.021 10 0 EGAERP c1ccc(N2CC[C@H](C[NH2+]C[C@H]3CCC[N@H+](CC4CC4)C3)C2)cc1 ZINC000639337735 461868293 /nfs/dbraw/zinc/86/82/93/461868293.db2.gz OKVPDLVUBLFFGO-WOJBJXKFSA-N 2 0 327.516 3.225 10 0 EGAERP CC(C)c1ccc(NC(=O)C[C@H](C)[NH2+][C@@H]2CC23CC[NH2+]CC3)cc1 ZINC000666953594 461886647 /nfs/dbraw/zinc/88/66/47/461886647.db2.gz BQPHMPCTZZUGRZ-MAUKXSAKSA-N 2 0 329.488 3.259 10 0 EGAERP COc1cc2c(c(C[N@@H+]3CCC[C@@H](C4CC[NH2+]CC4)C3)c1)O[C@H](C)C2 ZINC000656785503 461895265 /nfs/dbraw/zinc/89/52/65/461895265.db2.gz KXKNDZXSGJXQRL-NVXWUHKLSA-N 2 0 344.499 3.230 10 0 EGAERP c1nc(-c2ccncc2)sc1C[NH+]1CCC([C@@H]2CCC[NH2+]C2)CC1 ZINC000656786131 461895470 /nfs/dbraw/zinc/89/54/70/461895470.db2.gz LCJVKHTUOVJAIZ-QGZVFWFLSA-N 2 0 342.512 3.417 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2cc(Cl)ccc2OC[C@H]2CCCO2)CC1 ZINC000650713219 461906891 /nfs/dbraw/zinc/90/68/91/461906891.db2.gz KCNNFFLLRSXNFD-MRXNPFEDSA-N 2 0 338.879 3.116 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1c[nH]nc1-c1ccc(OC)cc1 ZINC000650718754 461911452 /nfs/dbraw/zinc/91/14/52/461911452.db2.gz WJAUMLWSHCJXOV-UHFFFAOYSA-N 2 0 336.439 3.095 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1c(F)cccc1N1CCCC1 ZINC000650718717 461911682 /nfs/dbraw/zinc/91/16/82/461911682.db2.gz UVLMHUACXZAJFY-UHFFFAOYSA-N 2 0 327.447 3.435 10 0 EGAERP CC[C@@H]([NH2+]CCC[NH2+][C@@H](CC)[C@@H]1CCCCO1)[C@@H]1CCCCO1 ZINC000653875741 461912216 /nfs/dbraw/zinc/91/22/16/461912216.db2.gz ZBRZHGSZLHXOGE-RDGPPVDQSA-N 2 0 326.525 3.251 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@H]3CCC[C@@H]32)CC1 ZINC000650748017 461930441 /nfs/dbraw/zinc/93/04/41/461930441.db2.gz LMXVHWTWJSHUSE-AQNXPRMDSA-N 3 0 327.516 3.148 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000650758123 461939391 /nfs/dbraw/zinc/93/93/91/461939391.db2.gz JSXNSGQJNCRHRU-KRWDZBQOSA-N 3 0 341.499 3.197 10 0 EGAERP c1cc(C[NH2+]C[C@@H](c2ccccc2)N2CCCC2)n(-c2cc[nH+]cc2)n1 ZINC000657287293 462017856 /nfs/dbraw/zinc/01/78/56/462017856.db2.gz XPTROKDWHYYJAK-NRFANRHFSA-N 2 0 347.466 3.194 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCCC[NH2+]Cc1ccnn1-c1cc[nH+]cc1 ZINC000657311736 462037016 /nfs/dbraw/zinc/03/70/16/462037016.db2.gz SRCZILXZABPCPG-KRWDZBQOSA-N 2 0 327.476 3.012 10 0 EGAERP c1nn2c(c1C[NH2+]Cc1cccc(C[NH+]3CCCCCC3)c1)CCC2 ZINC000657337993 462057018 /nfs/dbraw/zinc/05/70/18/462057018.db2.gz FQISCRXUSHHVSJ-UHFFFAOYSA-N 2 0 338.499 3.495 10 0 EGAERP CC[C@H]1C[C@H]([NH2+]CC2CC[NH+](Cc3ccc(OC)cc3)CC2)CO1 ZINC000657336708 462057075 /nfs/dbraw/zinc/05/70/75/462057075.db2.gz YMIRTZMJFYJOSD-OALUTQOASA-N 2 0 332.488 3.064 10 0 EGAERP COC[C@@H](C)Oc1ccc(C[NH2+]C2C[C@H]3CCC[C@@H](C2)[N@H+]3C)cc1 ZINC000657377985 462082524 /nfs/dbraw/zinc/08/25/24/462082524.db2.gz SRTVTPFEDQGAIH-BPIHKTFHSA-N 2 0 332.488 3.205 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CN1Cc1ccccc1 ZINC000657395303 462095954 /nfs/dbraw/zinc/09/59/54/462095954.db2.gz UDNMZEUANASFLJ-IEBWSBKVSA-N 2 0 347.466 3.020 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000648714968 462242717 /nfs/dbraw/zinc/24/27/17/462242717.db2.gz VEEZVOBFXCRVDQ-VAMGGRTRSA-N 2 0 340.471 3.091 10 0 EGAERP Cc1c(C[NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)cnn1C ZINC000657772375 462260324 /nfs/dbraw/zinc/26/03/24/462260324.db2.gz MKRLMMHWPKKZKD-FQEVSTJZSA-N 2 0 338.499 3.120 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]C[C@H]2C[N@H+](Cc3ccccc3)CC23CCC3)[C@@H](C)O1 ZINC000657773399 462260994 /nfs/dbraw/zinc/26/09/94/462260994.db2.gz RHVIWQPYXGZRBU-JYBIWHBTSA-N 2 0 328.500 3.444 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]Cc1ccccc1C[N@H+](C)C(C)C ZINC000657836940 462290025 /nfs/dbraw/zinc/29/00/25/462290025.db2.gz VWLAHPVZLBWKGW-OAQYLSRUSA-N 2 0 348.531 3.448 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccncc1Cl ZINC000658069501 462365953 /nfs/dbraw/zinc/36/59/53/462365953.db2.gz GBKUSDYUECULBQ-CQSZACIVSA-N 2 0 337.895 3.277 10 0 EGAERP CCc1cccnc1[C@@H](C)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068769 462366251 /nfs/dbraw/zinc/36/62/51/462366251.db2.gz ZEJRGGGQVYLTCF-MRXNPFEDSA-N 2 0 331.504 3.186 10 0 EGAERP CC(C)c1cccc(NC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C)c1 ZINC000665263876 462375825 /nfs/dbraw/zinc/37/58/25/462375825.db2.gz WXDGGPQHSAXVLY-INIZCTEOSA-N 2 0 334.508 3.204 10 0 EGAERP CC[N@H+](CCCNCc1cnc2nc(C)cc(C)n12)C1CCCCC1 ZINC000651909943 462377378 /nfs/dbraw/zinc/37/73/78/462377378.db2.gz AZVWSOYGPCLELV-UHFFFAOYSA-N 2 0 343.519 3.480 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@H](C)c3ccsc32)CC1 ZINC000665289713 462386979 /nfs/dbraw/zinc/38/69/79/462386979.db2.gz VLLONPWSNWWTSA-WMLDXEAASA-N 2 0 349.544 3.267 10 0 EGAERP Cc1ccsc1[C@@H](C)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658138311 462402215 /nfs/dbraw/zinc/40/22/15/462402215.db2.gz JDYSZDZSVZPDTA-CRAIPNDOSA-N 2 0 330.497 3.474 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cn1 ZINC000658139216 462402795 /nfs/dbraw/zinc/40/27/95/462402795.db2.gz PMFGVYJJEVOSTE-OALUTQOASA-N 2 0 343.446 3.028 10 0 EGAERP Cc1ccc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)s1 ZINC000658141772 462405098 /nfs/dbraw/zinc/40/50/98/462405098.db2.gz UOENIQXOBPJIJI-CRAIPNDOSA-N 2 0 330.497 3.474 10 0 EGAERP COc1ccc([C@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000658146511 462406835 /nfs/dbraw/zinc/40/68/35/462406835.db2.gz VLRWECKIELZEKP-OXJNMPFZSA-N 2 0 340.467 3.113 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccc(F)cc1 ZINC000658143234 462407386 /nfs/dbraw/zinc/40/73/86/462407386.db2.gz GKJGOBBEVMLRBM-YWZLYKJASA-N 2 0 328.431 3.243 10 0 EGAERP CC[C@@H](Cc1ccccc1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658144337 462407738 /nfs/dbraw/zinc/40/77/38/462407738.db2.gz LRQADRPKIKRZPQ-FCHUYYIVSA-N 2 0 338.495 3.364 10 0 EGAERP C[C@@H]1CC[NH+](CCCCC[N@H+]2CC[C@@H](C)O[C@@H](C)C2)C[C@H](C)O1 ZINC000661858516 462442034 /nfs/dbraw/zinc/44/20/34/462442034.db2.gz USSKMQCJCFPXDH-YRXWBPOGSA-N 2 0 326.525 3.155 10 0 EGAERP CCC[N@H+](CC)Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCCC3)cc1 ZINC000649372601 462490569 /nfs/dbraw/zinc/49/05/69/462490569.db2.gz DKRWEAWMNBWKEO-LJQANCHMSA-N 2 0 343.515 3.323 10 0 EGAERP C[C@H](CCSc1ccccc1)[NH+]1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153092 462531861 /nfs/dbraw/zinc/53/18/61/462531861.db2.gz NQJMTLATIRMVQL-AEFFLSMTSA-N 2 0 334.529 3.088 10 0 EGAERP CC[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)[C@@H]1CCOC1 ZINC000310183641 547462113 /nfs/dbraw/zinc/46/21/13/547462113.db2.gz WYIYTMJUSHPQQO-CRSSMBPESA-N 2 0 328.500 3.302 10 0 EGAERP C[C@@H]1CC[C@@H](C)[NH+]1CCN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682068691 550067927 /nfs/dbraw/zinc/06/79/27/550067927.db2.gz FAFDBHROPOKTIR-DBXWQHBBSA-N 2 0 327.516 3.164 10 0 EGAERP C[NH+]1CCC(N2CC[C@@H]([NH2+][C@@H](c3ccc(F)cc3)C3CC3)C2)CC1 ZINC000678684737 576168951 /nfs/dbraw/zinc/16/89/51/576168951.db2.gz BDIQXGAGYDLFNY-UYAOXDASSA-N 2 0 331.479 3.035 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+][C@H]1CCC[N@H+](C)CC1 ZINC000086817944 1292736676 /nfs/dbraw/zinc/73/66/76/1292736676.db2.gz LCVOWQJHALCINM-CJNGLKHVSA-N 2 0 325.294 3.454 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)[NH2+]Cc1cccc(Br)n1 ZINC000131001233 1293675739 /nfs/dbraw/zinc/67/57/39/1293675739.db2.gz XWYVVWYGPZUPLD-ZDUSSCGKSA-N 2 0 328.298 3.444 10 0 EGAERP CC[C@@H](C)c1ccc(C(=O)N2C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C2)cc1 ZINC000870020883 1295598342 /nfs/dbraw/zinc/59/83/42/1295598342.db2.gz WITKMQYGWAPNKB-NSISKUIASA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)OC[C@H](Cc1ccc(F)cc1)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000872024705 1296669449 /nfs/dbraw/zinc/66/94/49/1296669449.db2.gz DEWCDPXYNLVSCO-AABGKKOBSA-N 2 0 334.479 3.378 10 0 EGAERP C[N@H+](CCCCCC[NH3+])Cc1nn(-c2ccccc2)c2c1CCC2 ZINC000872155183 1296773599 /nfs/dbraw/zinc/77/35/99/1296773599.db2.gz GEPAPJSXGCYJFR-UHFFFAOYSA-N 2 0 326.488 3.312 10 0 EGAERP C[C@H]1C[C@H](N2CCC3(CC[NH2+]CC3)CC2)C[N@@H+]1Cc1ccccc1 ZINC000302655481 1296803137 /nfs/dbraw/zinc/80/31/37/1296803137.db2.gz ZVLBAVLPCGCSQO-ICSRJNTNSA-N 2 0 327.516 3.115 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1)[N@H+]1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000312899215 1297120364 /nfs/dbraw/zinc/12/03/64/1297120364.db2.gz YEYIQSPURFJELZ-CWRNSKLLSA-N 2 0 337.305 3.312 10 0 EGAERP c1ccc(NC2CC([NH2+][C@@H]3C[C@]4(CC[NH2+]C4)Oc4ccccc43)C2)cc1 ZINC000873295203 1297417255 /nfs/dbraw/zinc/41/72/55/1297417255.db2.gz BSLFETFYGPHITM-WJTCQHJGSA-N 2 0 349.478 3.475 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+][C@H]2CC[C@H](NC(=O)OC(C)(C)C)C2)CC1 ZINC000382551857 1297560666 /nfs/dbraw/zinc/56/06/66/1297560666.db2.gz WFYXOPPJFQFUPZ-IRXDYDNUSA-N 2 0 339.524 3.142 10 0 EGAERP Fc1ccc(C[NH+]2CCC3(CC[C@H]3[NH+]3CCOCC3)CC2)cc1F ZINC000581803980 1298013302 /nfs/dbraw/zinc/01/33/02/1298013302.db2.gz YDUOCMOULBAWHN-GOSISDBHSA-N 2 0 336.426 3.042 10 0 EGAERP C[NH+](C)C1CCC([NH2+]C[C@@H]2CCCCN2C(=O)OC(C)(C)C)CC1 ZINC000715563624 1298281978 /nfs/dbraw/zinc/28/19/78/1298281978.db2.gz XCDVMSZLQGSIGR-JCYILVPMSA-N 2 0 339.524 3.238 10 0 EGAERP c1ccc(C[N@H+]2CCC3(C2)CC[NH+](C[C@H]2C[C@@]24CCOC4)CC3)cc1 ZINC000886099167 1303353913 /nfs/dbraw/zinc/35/39/13/1303353913.db2.gz WHMHDYIJGSOOGQ-IFMALSPDSA-N 2 0 340.511 3.401 10 0 EGAERP Cc1nccn1CC[N@@H+]1CCC[C@H](Oc2ccc(C3CC3)cn2)C1 ZINC000858029344 1328665012 /nfs/dbraw/zinc/66/50/12/1328665012.db2.gz VZQUZKSBBLOMQG-SFHVURJKSA-N 2 0 326.444 3.007 10 0 EGAERP CC[NH+](CC)C[C@@H]1CCN(Cc2cnc(N(C)C)c3ccccc23)C1 ZINC000929747483 1328685584 /nfs/dbraw/zinc/68/55/84/1328685584.db2.gz DHNJVLWUEIMNLL-KRWDZBQOSA-N 2 0 340.515 3.465 10 0 EGAERP CC(C)C[C@@H](CNC(=O)OC(C)(C)C)[NH2+][C@H]1CC[N@H+](C)C(C)(C)C1 ZINC000858133110 1328691134 /nfs/dbraw/zinc/69/11/34/1328691134.db2.gz KTQJCJLHPMWYHL-HOTGVXAUSA-N 2 0 341.540 3.388 10 0 EGAERP CC(=O)NCCCCC[NH+]1CCC(CC[N@H+]2CCCC[C@H]2C)CC1 ZINC000929841597 1328717220 /nfs/dbraw/zinc/71/72/20/1328717220.db2.gz OQIXLKXSJQPCHP-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2nc(C)c(Br)s2)CC1 ZINC000921686707 1322378440 /nfs/dbraw/zinc/37/84/40/1322378440.db2.gz OSICXJPMDRRZGN-UHFFFAOYSA-N 2 0 346.338 3.426 10 0 EGAERP C[C@H]1C[C@H](CC[NH2+]Cc2cnn(CCF)c2)C[N@@H+]1Cc1ccccc1 ZINC000921927232 1322424436 /nfs/dbraw/zinc/42/44/36/1322424436.db2.gz GBOZJHQSMCNVTM-HKUYNNGSSA-N 2 0 344.478 3.243 10 0 EGAERP Cc1c(Cl)ccc(C[NH2+][C@H](C)CCN2CC[NH+](C)CC2)c1Cl ZINC000922012475 1322439579 /nfs/dbraw/zinc/43/95/79/1322439579.db2.gz RYDPEASWLMFTRR-CYBMUJFWSA-N 2 0 344.330 3.417 10 0 EGAERP CCCC[N@H+](CCCCS(C)(=O)=O)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931033607 1329033776 /nfs/dbraw/zinc/03/37/76/1329033776.db2.gz JAFMFYKWIOPNGU-UHFFFAOYSA-N 2 0 346.581 3.223 10 0 EGAERP C[C@H]1C[C@H]([NH2+][C@@H]2C[C@H]3OC(C)(C)O[C@H]3C2)CCN1Cc1ccccc1 ZINC000922868409 1322636236 /nfs/dbraw/zinc/63/62/36/1322636236.db2.gz AAERICKBTNTRCE-AXDKOMKPSA-N 2 0 344.499 3.312 10 0 EGAERP CC(C)([NH2+]C[C@H]1CC2(C[NH2+]C2)CO1)c1ccc(Cl)c(Cl)c1 ZINC000923317219 1322732587 /nfs/dbraw/zinc/73/25/87/1322732587.db2.gz CBUHQHXVFIDQBZ-GFCCVEGCSA-N 2 0 329.271 3.197 10 0 EGAERP CC[C@H]1C[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC[C@@H]1[NH3+] ZINC000923346273 1322738575 /nfs/dbraw/zinc/73/85/75/1322738575.db2.gz WMAJTMZHTZLHFR-NZUILWFCSA-N 2 0 342.405 3.228 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](CCSc1ccc(Cl)cc1)CC2 ZINC000923449365 1322753321 /nfs/dbraw/zinc/75/33/21/1322753321.db2.gz NCLCILXILLEWKP-OAHLLOKOSA-N 2 0 340.920 3.262 10 0 EGAERP [NH3+]C[C@H]1CC2(CO1)CC[NH+](Cc1c(Cl)ccc3cccnc31)CC2 ZINC000923450959 1322754172 /nfs/dbraw/zinc/75/41/72/1322754172.db2.gz JVPUBINDLMJGLZ-OAHLLOKOSA-N 2 0 345.874 3.218 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](Cc1c(Cl)cccc1Cl)CC2 ZINC000923454634 1322754316 /nfs/dbraw/zinc/75/43/16/1322754316.db2.gz HVWQWYSBLXCFKW-LBPRGKRZSA-N 2 0 329.271 3.323 10 0 EGAERP Cc1cccc(C(C)C)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923503188 1322764047 /nfs/dbraw/zinc/76/40/47/1322764047.db2.gz HQTGAFZAZXITFQ-YESZJQIVSA-N 2 0 331.504 3.362 10 0 EGAERP c1cc(C[NH+]2CCC([C@@H]3CCC[NH2+]CC3)CC2)c2c(c1)COCC2 ZINC000923509226 1322766162 /nfs/dbraw/zinc/76/61/62/1322766162.db2.gz ZJKJNVQTYNTTFN-QGZVFWFLSA-N 2 0 328.500 3.361 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CCC[N@H+]2CCCC[C@@H]2C)n(C)n1 ZINC000924571897 1323058218 /nfs/dbraw/zinc/05/82/18/1323058218.db2.gz IYDUBLNFCMMZSZ-CMKODMSKSA-N 2 0 332.536 3.294 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+][C@@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000924697550 1323117887 /nfs/dbraw/zinc/11/78/87/1323117887.db2.gz UKSYSCHKBSGPBX-VSKRKVRLSA-N 2 0 335.495 3.452 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H](C)C[NH+]2CCCCC2)n(C)n1 ZINC000924722260 1323133402 /nfs/dbraw/zinc/13/34/02/1323133402.db2.gz QQNZVBPZJRAVMN-KPFFTGBYSA-N 2 0 332.536 3.151 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)c3ccnnc3)CC2)cc1 ZINC000924856941 1323189468 /nfs/dbraw/zinc/18/94/68/1323189468.db2.gz RPBPIPMCYQEDJT-INIZCTEOSA-N 2 0 340.471 3.048 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000924939765 1323221419 /nfs/dbraw/zinc/22/14/19/1323221419.db2.gz XGDBRLHUQXLERM-HJNYFJLDSA-N 2 0 342.527 3.346 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H]2CCC[C@@H]2Cc2cc(C)nn2C)CC1 ZINC000924956214 1323227443 /nfs/dbraw/zinc/22/74/43/1323227443.db2.gz VIBHYZGWEWIJNE-UYAOXDASSA-N 2 0 332.536 3.151 10 0 EGAERP C[C@H](CN1CC[NH+](C)CC1)[NH2+][C@H](C)c1csc(C(F)(F)F)c1 ZINC000924992033 1323237648 /nfs/dbraw/zinc/23/76/48/1323237648.db2.gz KWJGSLIQTDVLAV-VXGBXAGGSA-N 2 0 335.439 3.053 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(F)c(C[NH+](C)C)c1)C1(Br)CC1 ZINC000925076638 1323267853 /nfs/dbraw/zinc/26/78/53/1323267853.db2.gz XLMHSGOGVKGITI-NSHDSACASA-N 2 0 329.257 3.293 10 0 EGAERP CCO[C@@H](CC[NH+](C)C)C[NH2+][C@H]1CCCc2c(Cl)ccnc21 ZINC000925241879 1325092571 /nfs/dbraw/zinc/09/25/71/1325092571.db2.gz TXEOFVCSZLSOGM-BBRMVZONSA-N 2 0 325.884 3.059 10 0 EGAERP c1cc(N2CCC(C[NH2+][C@H](C3CC3)C3CCOCC3)CC2)cc[nH+]1 ZINC000925301377 1325118168 /nfs/dbraw/zinc/11/81/68/1325118168.db2.gz UWCUPZPGKOQMLS-HXUWFJFHSA-N 2 0 329.488 3.093 10 0 EGAERP CC1(C)[C@@H]([NH2+]CCCCOCCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925477757 1325167724 /nfs/dbraw/zinc/16/77/24/1325167724.db2.gz GLMFKHRHQRVOIS-UFYCRDLUSA-N 2 0 330.516 3.392 10 0 EGAERP COc1ccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]C[C@@H]3C3CCCC3)c2c1 ZINC000925485849 1325172346 /nfs/dbraw/zinc/17/23/46/1325172346.db2.gz DPVVERKODCKKAM-CTNGQTDRSA-N 2 0 341.499 3.477 10 0 EGAERP CCOc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)ccc1OC ZINC000925488256 1325174006 /nfs/dbraw/zinc/17/40/06/1325174006.db2.gz ITUASHMKHUALMA-ZWKOTPCHSA-N 2 0 332.488 3.352 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1F ZINC000925497184 1325178546 /nfs/dbraw/zinc/17/85/46/1325178546.db2.gz FNFRXGBKOIAHOM-UYAOXDASSA-N 3 0 333.495 3.145 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1 ZINC000925509935 1325183178 /nfs/dbraw/zinc/18/31/78/1325183178.db2.gz QGUWCHWIIOUEBZ-MOPGFXCFSA-N 2 0 340.515 3.493 10 0 EGAERP CC1(C)C[C@@H](NC[C@H]2CCC[N@H+](Cc3ccccc3)C2)C[C@@H]([NH3+])C1 ZINC000925519780 1325188686 /nfs/dbraw/zinc/18/86/86/1325188686.db2.gz JTLJHHSCJBNFPN-AQNXPRMDSA-N 2 0 329.532 3.394 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@H]([NH2+]Cc2ccnc(OCC(F)(F)F)c2)C1 ZINC000925546959 1325202716 /nfs/dbraw/zinc/20/27/16/1325202716.db2.gz LSMMMYZLHWQOSY-STQMWFEESA-N 2 0 331.382 3.018 10 0 EGAERP Fc1ccc(N2CC[C@H](C[NH2+][C@@H]3CC[NH2+]C[C@@H]3C3CCCC3)C2)cc1 ZINC000925562614 1325210464 /nfs/dbraw/zinc/21/04/64/1325210464.db2.gz IGCDIHYKUAOQFY-MAODMQOUSA-N 2 0 345.506 3.410 10 0 EGAERP COc1ccc(COCCC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925566095 1325213601 /nfs/dbraw/zinc/21/36/01/1325213601.db2.gz DCLZBVMOLJJISW-NHCUHLMSSA-N 2 0 346.515 3.360 10 0 EGAERP Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925569264 1325214252 /nfs/dbraw/zinc/21/42/52/1325214252.db2.gz ZVWVTOJAAHTUPL-PKOBYXMFSA-N 2 0 343.515 3.095 10 0 EGAERP CCc1noc(-c2ccc(CC[NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)cc2)n1 ZINC000925595852 1325226266 /nfs/dbraw/zinc/22/62/66/1325226266.db2.gz UQBXJDRHNBPPFD-IAGOWNOFSA-N 2 0 342.487 3.337 10 0 EGAERP CCc1noc(-c2ccc(CC[NH2+][C@H]3C[C@H]([NH3+])CC(C)(C)C3)cc2)n1 ZINC000925595853 1325226613 /nfs/dbraw/zinc/22/66/13/1325226613.db2.gz UQBXJDRHNBPPFD-IRXDYDNUSA-N 2 0 342.487 3.337 10 0 EGAERP CC[NH+](CC)[C@H](CN[C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1ccco1 ZINC000925617013 1325232761 /nfs/dbraw/zinc/23/27/61/1325232761.db2.gz PDPVZDLDHGODGC-GBESFXJTSA-N 2 0 333.520 3.420 10 0 EGAERP C[C@@H]1C[C@H](CC[NH2+][C@H]2CC[NH2+]C23CCC3)C[N@@H+]1Cc1ccccc1 ZINC000925622226 1325234160 /nfs/dbraw/zinc/23/41/60/1325234160.db2.gz MIUXDQPROSAYBT-HOJAQTOUSA-N 3 0 327.516 3.161 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]Cc2cccc(COCC(F)(F)F)c2)C12CCC2 ZINC000925623886 1325234425 /nfs/dbraw/zinc/23/44/25/1325234425.db2.gz VHXPQETUJHNIKD-LSDHHAIUSA-N 2 0 328.378 3.125 10 0 EGAERP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CC[NH2+]C34CCC4)CC2)cc1 ZINC000925721479 1325269682 /nfs/dbraw/zinc/26/96/82/1325269682.db2.gz CROOBSUGABKMSD-HXUWFJFHSA-N 3 0 327.516 3.163 10 0 EGAERP [NH3+]C1C[C@H]2CC[C@@H](C1)C2[NH2+][C@@H]1[C@@H]2Cc3c(cccc3Br)[C@@H]21 ZINC000925725800 1325270461 /nfs/dbraw/zinc/27/04/61/1325270461.db2.gz WFOYDQKTRHZXFO-LANUWOQJSA-N 2 0 347.300 3.193 10 0 EGAERP [NH3+]CCC[C@H]([NH2+]CCOC(F)(F)C(F)(F)F)c1ccccc1 ZINC000925729108 1325273159 /nfs/dbraw/zinc/27/31/59/1325273159.db2.gz IGPXHNMSNFMVNS-LBPRGKRZSA-N 2 0 326.309 3.228 10 0 EGAERP Nc1cc[nH+]c(CN[C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)c1 ZINC000925766085 1325290964 /nfs/dbraw/zinc/29/09/64/1325290964.db2.gz GKGDZILFQYGUGG-DUXKGJEZSA-N 2 0 336.483 3.054 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@@H]1CCC2(CCC2)CO1 ZINC000925773240 1325293118 /nfs/dbraw/zinc/29/31/18/1325293118.db2.gz ANMRBUQAOIPADD-YRISNDGFSA-N 2 0 342.483 3.181 10 0 EGAERP c1ccc2c(c1)O[C@]1(CC[NH2+]C1)C[C@H]2[NH2+]C[C@H]1CCC2(CCC2)CO1 ZINC000925773238 1325293442 /nfs/dbraw/zinc/29/34/42/1325293442.db2.gz ANMRBUQAOIPADD-HGHGUNKESA-N 2 0 342.483 3.181 10 0 EGAERP CCOC(=O)[C@H]1CC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc21 ZINC000925802954 1325308078 /nfs/dbraw/zinc/30/80/78/1325308078.db2.gz KPLJSRAIQYCLQR-LTDCPUDJSA-N 2 0 330.472 3.003 10 0 EGAERP CC(C)CCOc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1 ZINC000925807179 1325310192 /nfs/dbraw/zinc/31/01/92/1325310192.db2.gz CZFZVLJKXRXPJA-QGZVFWFLSA-N 2 0 333.520 3.185 10 0 EGAERP CC[C@@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccsc1 ZINC000925809153 1325311394 /nfs/dbraw/zinc/31/13/94/1325311394.db2.gz AEFKSXVNDGXVAE-LJQANCHMSA-N 2 0 329.513 3.394 10 0 EGAERP Cc1cccc([C@@H]([NH2+]CCN2CCC([NH3+])CC2)c2cccc(F)c2)c1 ZINC000925817706 1325314622 /nfs/dbraw/zinc/31/46/22/1325314622.db2.gz VTKCUNFKKPWKHC-OAQYLSRUSA-N 2 0 341.474 3.236 10 0 EGAERP CC(C)Oc1ccc([C@@H](C)[NH2+]CCN2CCC([NH3+])CC2)cc1Cl ZINC000925817611 1325315190 /nfs/dbraw/zinc/31/51/90/1325315190.db2.gz SZKQMUOTBOXNTP-CQSZACIVSA-N 2 0 339.911 3.201 10 0 EGAERP CC(C)[C@@H]1C[C@@H]([NH2+]C[C@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925849654 1325329015 /nfs/dbraw/zinc/32/90/15/1325329015.db2.gz JNPKIJIUCZNCRD-AYOQOUSVSA-N 2 0 342.483 3.146 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925853027 1325330593 /nfs/dbraw/zinc/33/05/93/1325330593.db2.gz JECPIFLWVDHAOF-YJBOKZPZSA-N 2 0 330.472 3.146 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1ccc(C(C)(C)C)cc1 ZINC000925853312 1325331327 /nfs/dbraw/zinc/33/13/27/1325331327.db2.gz IAYFGVMCWKQFHJ-QAPCUYQASA-N 2 0 344.499 3.320 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+]C2CCN(Cc3c(F)cccc3Cl)CC2)C1 ZINC000925875235 1325338367 /nfs/dbraw/zinc/33/83/67/1325338367.db2.gz DCZDKMKQSMSZCS-UONOGXRCSA-N 2 0 339.886 3.161 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)C1 ZINC000925883081 1325341813 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WPMHUEBFMVDUEE-CJNGLKHVSA-N 2 0 340.393 3.399 10 0 EGAERP C[C@H]([NH2+]C[C@H](n1cccn1)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926748985 1327697823 /nfs/dbraw/zinc/69/78/23/1327697823.db2.gz WPMHUEBFMVDUEE-BBRMVZONSA-N 2 0 340.393 3.399 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC[C@@]2(CO[C@H](C)C2)O1)c1cccc(C[NH+](C)C)c1 ZINC000926876932 1327750839 /nfs/dbraw/zinc/75/08/39/1327750839.db2.gz LTKMZUUAVFEPTI-YAJHFMINSA-N 2 0 332.488 3.125 10 0 EGAERP C[C@@H](CC(=O)N(C)c1ccccc1)[NH2+]C1CCC(C)([NH+]2CCC2)CC1 ZINC000927037679 1327826600 /nfs/dbraw/zinc/82/66/00/1327826600.db2.gz KCAVXTGCDSWFSS-XPQZIERPSA-N 2 0 343.515 3.425 10 0 EGAERP CC1([NH+]2CCC2)CCC([NH2+][C@@H]2CC[C@H]3SCCS[C@@H]23)CC1 ZINC000927039918 1327827533 /nfs/dbraw/zinc/82/75/33/1327827533.db2.gz XOEFEYRGJHHXAK-IZTSSTLKSA-N 2 0 326.575 3.363 10 0 EGAERP CC[NH+](CC)Cc1cc([C@H](C)N[C@H]2CC[C@@H](C)[NH2+]C2)ccc1OC ZINC000863547675 1329562252 /nfs/dbraw/zinc/56/22/52/1329562252.db2.gz RJFOAMPXPVGTBT-GJYPPUQNSA-N 2 0 333.520 3.328 10 0 EGAERP CC(=O)NCC1CCC([NH2+]Cc2cccc(C[N@@H+](C)C(C)C)c2)CC1 ZINC000865433389 1329696533 /nfs/dbraw/zinc/69/65/33/1329696533.db2.gz QAPITGDTFMSUPC-UHFFFAOYSA-N 2 0 345.531 3.311 10 0 EGAERP CC(C)[N@H+](C)Cc1cccc(C[NH2+]Cc2cnc3c(cnn3C)c2)c1 ZINC000865433527 1329696628 /nfs/dbraw/zinc/69/66/28/1329696628.db2.gz RYLYFUXTFOKVDU-UHFFFAOYSA-N 2 0 337.471 3.098 10 0 EGAERP COc1ccc(-c2n[nH]cc2C[NH2+]C2CCC(C)([NH+](C)C)CC2)cc1 ZINC000865765751 1329736543 /nfs/dbraw/zinc/73/65/43/1329736543.db2.gz KZISKTHSVDXURA-UHFFFAOYSA-N 2 0 342.487 3.438 10 0 EGAERP c1cc(CNC[C@@H]2CC[N@@H+]2C2CCCCCC2)n(-c2cc[nH+]cc2)n1 ZINC000865805215 1329739825 /nfs/dbraw/zinc/73/98/25/1329739825.db2.gz VDHYGBCXANXQRB-IBGZPJMESA-N 2 0 339.487 3.154 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@H](C2CCC2)[C@@H]2CCCO2)c1 ZINC000866238287 1330083234 /nfs/dbraw/zinc/08/32/34/1330083234.db2.gz ONIXLAXJQYVTFS-VQTJNVASSA-N 2 0 332.488 3.064 10 0 EGAERP C[C@H]1CCc2ccc(F)cc2[C@H]1[NH2+]CCCN1CCC[N@H+](C)CC1 ZINC000866261402 1330086697 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RWKBVDAYHMYIAJ-RTBURBONSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@]2(CCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001323813033 1387465077 /nfs/dbraw/zinc/46/50/77/1387465077.db2.gz NBBZMBUPELPGMH-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323871238 1387483716 /nfs/dbraw/zinc/48/37/16/1387483716.db2.gz CFXWSNIXAUXHRZ-TZIWHRDSSA-N 2 0 349.563 3.223 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CCN(C(=O)CCCC[NH+](C)C)[C@H](C)C2)cc1 ZINC001324087274 1387536456 /nfs/dbraw/zinc/53/64/56/1387536456.db2.gz IBIUHWCPZMNOHU-QUCCMNQESA-N 2 0 345.531 3.196 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001324237122 1387564754 /nfs/dbraw/zinc/56/47/54/1387564754.db2.gz TZMCNPBIAPAHEE-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CC1CCC(C[NH+]2CCC(C)(NC(=O)C[C@@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001324340383 1387599131 /nfs/dbraw/zinc/59/91/31/1387599131.db2.gz UDSHJQLOJNOBNC-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C2CCCC2)CC[N@@H+]1C ZINC001324466895 1387632873 /nfs/dbraw/zinc/63/28/73/1387632873.db2.gz GIXQYHCAXFICAL-NXHRZFHOSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CCCC(C)C ZINC001324533911 1387661173 /nfs/dbraw/zinc/66/11/73/1387661173.db2.gz VQOPYXYJEVRNEP-HSALFYBXSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@]2(CC[N@H+](CC3CC(C)(C)C3)C2)C1 ZINC001324555939 1387670688 /nfs/dbraw/zinc/67/06/88/1387670688.db2.gz CUTJHEISRYYKFZ-NRFANRHFSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001324632893 1387709834 /nfs/dbraw/zinc/70/98/34/1387709834.db2.gz OTJQDRPNCCPEDZ-HCZHMGAMSA-N 2 0 349.563 3.435 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@](C)(NC(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001324632896 1387709908 /nfs/dbraw/zinc/70/99/08/1387709908.db2.gz OTJQDRPNCCPEDZ-YJJPMGAVSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](C(=O)N[C@]1(C)CC[N@H+](CC2=CCCCC2)C1)[NH+]1CCCCCC1 ZINC001324658379 1387720210 /nfs/dbraw/zinc/72/02/10/1387720210.db2.gz VIFPYXFPMNZLJF-WIYYLYMNSA-N 2 0 347.547 3.332 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](C)(C[NH2+]CCCC2CCCC2)C1 ZINC001324769091 1387764440 /nfs/dbraw/zinc/76/44/40/1387764440.db2.gz ASXKJLDUDQNATI-FPOVZHCZSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001324868068 1387797595 /nfs/dbraw/zinc/79/75/95/1387797595.db2.gz HSSVMYNDRPARMM-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](c2ccccc2)[NH+](C)CC)C1 ZINC001324971494 1387858600 /nfs/dbraw/zinc/85/86/00/1387858600.db2.gz JAVAPNQMYXMSKN-PZJWPPBQSA-N 2 0 345.531 3.308 10 0 EGAERP CC(C)[C@@H](O)CC[N@@H+]1CC[C@]2(C1)CCC[NH+](Cc1ccccc1)C2 ZINC001191358902 1367483423 /nfs/dbraw/zinc/48/34/23/1367483423.db2.gz QZFCLBIRBHQBRD-SFTDATJTSA-N 2 0 330.516 3.382 10 0 EGAERP c1ccc2c(c1)[nH+]ccc2N1CC[NH+](CCOCC2CCC2)CC1 ZINC001194203647 1368207463 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ODKAYWSZGIXYBW-MHORFTMASA-N 2 0 337.552 3.122 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](CNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001325678592 1388028223 /nfs/dbraw/zinc/02/82/23/1388028223.db2.gz DFBREDIVDRZIGL-WAAHFUDESA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CC1CCC(C)CC1 ZINC001325914488 1388078181 /nfs/dbraw/zinc/07/81/81/1388078181.db2.gz AFSQQOIVECWJRN-TUNPWDSISA-N 2 0 349.563 3.218 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC1CCC(C)CC1 ZINC001325914487 1388078498 /nfs/dbraw/zinc/07/84/98/1388078498.db2.gz AFSQQOIVECWJRN-NTFDOXNWSA-N 2 0 349.563 3.218 10 0 EGAERP CCCC[N@@H+]1CC[C@H]2[C@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001325917783 1388081067 /nfs/dbraw/zinc/08/10/67/1388081067.db2.gz NUIRYXJSCPOXGN-MOPGFXCFSA-N 2 0 335.536 3.118 10 0 EGAERP CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)Nc2cccc(C[NH+]3CCCC3)c2)C1 ZINC001326021703 1388102111 /nfs/dbraw/zinc/10/21/11/1388102111.db2.gz MPWWZAVAVNWDER-HXUWFJFHSA-N 2 0 347.478 3.433 10 0 EGAERP COc1cccc(N2CCC([NH2+][C@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)c1 ZINC001119699183 1371389699 /nfs/dbraw/zinc/38/96/99/1371389699.db2.gz KTODEAOSYAXDKX-WBVHZDCISA-N 2 0 331.504 3.160 10 0 EGAERP CC[NH+](CC)CC[C@@H](C)NC(=O)[C@H]1CCC[N@H+](Cc2ccccc2)C1 ZINC001124128527 1372677946 /nfs/dbraw/zinc/67/79/46/1372677946.db2.gz ONWWTUIQOXJUKT-QUCCMNQESA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[C@H](C[NH2+]CCC(C)(C)C)CC1 ZINC001326566654 1388241418 /nfs/dbraw/zinc/24/14/18/1388241418.db2.gz MRMOBLPNXRXBPM-QAQDUYKDSA-N 2 0 325.541 3.027 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001327127327 1388392256 /nfs/dbraw/zinc/39/22/56/1388392256.db2.gz VBCYLYOKJCZDBY-CKHBTRQNSA-N 2 0 349.563 3.434 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C)CC1)[C@@H](C)c1cccc(F)c1 ZINC001265131334 1377148111 /nfs/dbraw/zinc/14/81/11/1377148111.db2.gz VUEVDNZIBGQNJH-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CCC1CCCC1 ZINC001265792971 1377166440 /nfs/dbraw/zinc/16/64/40/1377166440.db2.gz YVOXLNGIRNBRGH-MRXNPFEDSA-N 2 0 337.552 3.314 10 0 EGAERP C[NH+](CC1CCCC1)[C@@H]1CCCN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC001266111279 1377189815 /nfs/dbraw/zinc/18/98/15/1377189815.db2.gz YZOMIYFAIJRHCG-GOSISDBHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC[N@H+](CCC(C)(C)C)C1CC1 ZINC001266174627 1377216998 /nfs/dbraw/zinc/21/69/98/1377216998.db2.gz OKNQKMYLEUVXCR-IRXDYDNUSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1cc(C)cc(C[N@H+]2CCC[C@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001266246983 1377245486 /nfs/dbraw/zinc/24/54/86/1377245486.db2.gz ZJPLAQMJVUMMKZ-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001266468144 1377313937 /nfs/dbraw/zinc/31/39/37/1377313937.db2.gz KMZIYLLHWIBDTB-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+]1CCC1CCCCC1 ZINC001266467957 1377314101 /nfs/dbraw/zinc/31/41/01/1377314101.db2.gz HARLNXMVDUCXRS-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1ccc(C[NH2+]CCN(C)C(=O)C(C)(C)[NH+]2CCCCC2)c(C)c1 ZINC001266701915 1377363560 /nfs/dbraw/zinc/36/35/60/1377363560.db2.gz IYIWAAOJDIRGAJ-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC[NH+](CC)CCC[C@@H](C)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001136345751 1377380724 /nfs/dbraw/zinc/38/07/24/1377380724.db2.gz JJODIBBHMORTNA-MRXNPFEDSA-N 2 0 335.492 3.116 10 0 EGAERP C[C@H]1CCC[C@](CNC(=O)c2cccc(CC[NH+](C)C)c2)([NH+](C)C)C1 ZINC001136360844 1377383072 /nfs/dbraw/zinc/38/30/72/1377383072.db2.gz QWHQLEXNEZRDSE-UWJYYQICSA-N 2 0 345.531 3.031 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001267047407 1377408392 /nfs/dbraw/zinc/40/83/92/1377408392.db2.gz NKQCSHHZIIJDPA-HMECNJMJSA-N 2 0 347.547 3.047 10 0 EGAERP CC[N@H+](CCNC(=O)[C@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)(C)C ZINC001267250853 1377432680 /nfs/dbraw/zinc/43/26/80/1377432680.db2.gz XBDWKJBFTUSWFC-IBGZPJMESA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)CC1=CCCCC1 ZINC001267257756 1377434183 /nfs/dbraw/zinc/43/41/83/1377434183.db2.gz SPYRRJXNOSOIEM-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CC[N@@H+](C3CCCCC3)C2)CC1 ZINC001267923651 1377477386 /nfs/dbraw/zinc/47/73/86/1377477386.db2.gz AFTMRDGYUIQNMI-FHWLQOOXSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H](CC[NH+](C)C)C(=O)N1CCC(CC[N@@H+]2CCCC[C@H]2C)CC1 ZINC001137310001 1377514425 /nfs/dbraw/zinc/51/44/25/1377514425.db2.gz XGOZZEIMUGCANS-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001269740500 1377568649 /nfs/dbraw/zinc/56/86/49/1377568649.db2.gz HAXMIWGQTMHWJW-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP CC1CC(C[NH2+]CC[C@H]2CCCN(C(=O)CC[NH+]3CCCCC3)C2)C1 ZINC001269800235 1377573767 /nfs/dbraw/zinc/57/37/67/1377573767.db2.gz ZIHQZCCFIAAPOG-IOJLRTSASA-N 2 0 349.563 3.127 10 0 EGAERP CC1CC[NH+](C2CCC(NC(=O)[C@@H]3CCC[C@H]([NH+](C)C)C3)CC2)CC1 ZINC001137743333 1377608723 /nfs/dbraw/zinc/60/87/23/1377608723.db2.gz JCMJWRNZEQOACE-OAHAVBBTSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)CCCn1ccnc1C ZINC001271591826 1377642461 /nfs/dbraw/zinc/64/24/61/1377642461.db2.gz NLUOGHHAQBTCPQ-IBGZPJMESA-N 2 0 346.519 3.299 10 0 EGAERP CCCCC[NH2+]C[C@@H]1[C@@H](C)CCCN1C(=O)Cn1ccnc1C(C)C ZINC001271740657 1377648893 /nfs/dbraw/zinc/64/88/93/1377648893.db2.gz UDXTZULRYMPQIB-ZWKOTPCHSA-N 2 0 348.535 3.413 10 0 EGAERP CC[C@H](C(=O)N1CCC(CC)([NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001327456178 1388524534 /nfs/dbraw/zinc/52/45/34/1388524534.db2.gz XYXXWTGHOOWZAM-GOSISDBHSA-N 2 0 335.536 3.188 10 0 EGAERP CCC1([NH2+]CC2CC(C)(C)C2)CCN(C(=O)C[C@H]2CC[N@H+](C)C2)CC1 ZINC001327488620 1388533785 /nfs/dbraw/zinc/53/37/85/1388533785.db2.gz OJBAAEJPQRLWLH-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[NH+](C)C1CCN(C(=O)[C@@H]2CCC[N@@H+](CCC)C2)CC1 ZINC001277423816 1378222777 /nfs/dbraw/zinc/22/27/77/1378222777.db2.gz WERYXFHVXMTYTM-OVKVCFKUSA-N 2 0 349.563 3.388 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001277901604 1378250049 /nfs/dbraw/zinc/25/00/49/1378250049.db2.gz YREPRJZHUXGUDZ-LVMGUKCRSA-N 2 0 343.515 3.011 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@]12CCC[C@@H]1[N@H+](CC1CCC1)CC2 ZINC001278473344 1378275214 /nfs/dbraw/zinc/27/52/14/1378275214.db2.gz HTEGXGVXKHIUCG-FPOVZHCZSA-N 2 0 347.547 3.166 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@H+](CC2CCC(C)(C)CC2)CC1)[NH+](C)C ZINC001279583545 1378314621 /nfs/dbraw/zinc/31/46/21/1378314621.db2.gz ZSMYYXQZSOZHFH-LJQANCHMSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H]1CCC[N@H+](CCCCNC(=O)c2ccc(C[NH+]3CCCC3)o2)C1 ZINC001141750604 1378371084 /nfs/dbraw/zinc/37/10/84/1378371084.db2.gz PMSFJRLHZGHNKE-KRWDZBQOSA-N 2 0 347.503 3.117 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H](C(=O)NC2CC[NH+](CC3CCCCC3)CC2)C1 ZINC001142869571 1378499099 /nfs/dbraw/zinc/49/90/99/1378499099.db2.gz JCULXLCUPCZPLV-IBGZPJMESA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](C(=O)NC[C@@H](C)[N@H+](C)Cc1cc2ccccc2s1)[NH+](C)C ZINC001282478801 1378511153 /nfs/dbraw/zinc/51/11/53/1378511153.db2.gz UKDUHMHJBLSRFU-RHSMWYFYSA-N 2 0 347.528 3.178 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001282819994 1378626224 /nfs/dbraw/zinc/62/62/24/1378626224.db2.gz JQWBYEJSKJKUTJ-KRWDZBQOSA-N 2 0 339.568 3.227 10 0 EGAERP CCC[NH+](CCC)CCCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001143891836 1378657485 /nfs/dbraw/zinc/65/74/85/1378657485.db2.gz UTVGGOBISZQABV-IBGZPJMESA-N 2 0 337.552 3.412 10 0 EGAERP C[N@@H+]1CCN(C(=O)c2ccc(C[NH+]3CCCC3)cc2)C[C@@H]1C(C)(C)C ZINC001144025345 1378672801 /nfs/dbraw/zinc/67/28/01/1378672801.db2.gz TVXDDGPUGCSEHY-LJQANCHMSA-N 2 0 343.515 3.085 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C2)C1 ZINC001282964605 1378689379 /nfs/dbraw/zinc/68/93/79/1378689379.db2.gz JRYSDISIUSSXOK-LJQANCHMSA-N 2 0 349.563 3.220 10 0 EGAERP CCCCC[N@@H+]1CCCC2(CN(C(=O)[C@@H]3CCC[C@@H]([NH+](C)C)C3)C2)C1 ZINC001282977955 1378695380 /nfs/dbraw/zinc/69/53/80/1378695380.db2.gz RHYSHUQRODOCOW-RTBURBONSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H](CCC[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC001283174794 1378753083 /nfs/dbraw/zinc/75/30/83/1378753083.db2.gz ZWAOCXYTYHULCN-AEFFLSMTSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC2CC(C)(C)C2)CC[N@@H+]1C ZINC001283177551 1378753293 /nfs/dbraw/zinc/75/32/93/1378753293.db2.gz MERIFYQLSIIHAQ-RYQLBKOJSA-N 2 0 337.552 3.027 10 0 EGAERP CC[NH2+]CCC[C@@H](NC(=O)C12CCC[NH+](CCC1)C2)c1ccccc1 ZINC001283434757 1378926682 /nfs/dbraw/zinc/92/66/82/1378926682.db2.gz SMLKEBPUSFHOHO-LJQANCHMSA-N 2 0 343.515 3.110 10 0 EGAERP C[C@@H](CN(C)C(=O)C[NH+]1CCC(C)CC1)[NH2+]CCC1=CCCCC1 ZINC001283692737 1379122431 /nfs/dbraw/zinc/12/24/31/1379122431.db2.gz SSWJCFGBLHLZBD-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001283720695 1379142144 /nfs/dbraw/zinc/14/21/44/1379142144.db2.gz GIEIDJFVMBQNLE-PKOBYXMFSA-N 2 0 335.536 3.044 10 0 EGAERP CN1CCC[C@@H]1C(=O)N[C@@]12CCC[C@@H]1[N@H+](CCCC(C)(C)C)CC2 ZINC001284055815 1379406166 /nfs/dbraw/zinc/40/61/66/1379406166.db2.gz CITJDGAGHCOXAJ-FUHIMQAGSA-N 2 0 335.536 3.020 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001284067392 1379425573 /nfs/dbraw/zinc/42/55/73/1379425573.db2.gz LDWNRASYVAQUHC-TZIWHRDSSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)CC2CC[NH+](C)CC2)[C@H]1C ZINC001284132368 1379515644 /nfs/dbraw/zinc/51/56/44/1379515644.db2.gz PYKMBOSHEDNRED-ZHHRLCKPSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C(C)C ZINC001284553651 1379961800 /nfs/dbraw/zinc/96/18/00/1379961800.db2.gz RWKJODHPPHYGFO-RTBURBONSA-N 2 0 339.568 3.322 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CC2CCCCC2)C(C)(C)C)C1 ZINC001284633437 1380037632 /nfs/dbraw/zinc/03/76/32/1380037632.db2.gz XOOHUOMMCQPXBG-WMZOPIPTSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C)C[NH2+]C1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001284780807 1380203952 /nfs/dbraw/zinc/20/39/52/1380203952.db2.gz DXKGZHXARNDZLZ-MUYFXNHWSA-N 2 0 337.552 3.266 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCNC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001290244810 1382077457 /nfs/dbraw/zinc/07/74/57/1382077457.db2.gz NBKODJHSMYIKIH-MRXNPFEDSA-N 2 0 342.487 3.285 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)C12CCC[NH+](CCC1)C2 ZINC001328733970 1388831487 /nfs/dbraw/zinc/83/14/87/1388831487.db2.gz TXFLLYNVYQRDDZ-HMECNJMJSA-N 2 0 347.547 3.142 10 0 EGAERP CC[NH+](CC)CCCC1CC[NH+](Cc2cccc(N(C)C)n2)CC1 ZINC001169196931 1384121765 /nfs/dbraw/zinc/12/17/65/1384121765.db2.gz INZWOMJXGFZXSP-UHFFFAOYSA-N 2 0 332.536 3.482 10 0 EGAERP Cc1cccc(C)c1C[N@H+]1CC[C@H]1CN(C)C(=O)CCCC[NH+](C)C ZINC001316607607 1384476827 /nfs/dbraw/zinc/47/68/27/1384476827.db2.gz UAWOXZBCRRSQTO-IBGZPJMESA-N 2 0 345.531 3.068 10 0 EGAERP CCC[N@H+]1C[C@@H](c2ccccc2)[C@H](NC(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC001316643988 1384503103 /nfs/dbraw/zinc/50/31/03/1384503103.db2.gz JGMGNBNVWXBSNZ-ZCNNSNEGSA-N 2 0 345.531 3.101 10 0 EGAERP CCCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001316712527 1384534204 /nfs/dbraw/zinc/53/42/04/1384534204.db2.gz ONKWYAYBITYEEQ-YWTNHNAXSA-N 2 0 346.519 3.310 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC(C)(C)C1 ZINC001316809538 1384604574 /nfs/dbraw/zinc/60/45/74/1384604574.db2.gz CQXCROCVFKELGB-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CC[N@@H+](C(C)C)CC(C)(C)C1)[NH+]1CCCC1 ZINC001316812472 1384611356 /nfs/dbraw/zinc/61/13/56/1384611356.db2.gz WTJQTOBYCXWTGA-MSOLQXFVSA-N 2 0 337.552 3.122 10 0 EGAERP CC[C@H](C)C[N@H+](C)CCCNC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001316843283 1384632312 /nfs/dbraw/zinc/63/23/12/1384632312.db2.gz BHAOXJBMDHNHNI-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C[NH+](C)CCCNC(=O)C[N@H+]2[C@H](C)CC[C@@H]2C)c(C)c1 ZINC001316868820 1384655071 /nfs/dbraw/zinc/65/50/71/1384655071.db2.gz AAWLEZYURSVJLD-KDURUIRLSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[C@@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1ccccc1)[NH+]1CCCC1 ZINC001316870528 1384655607 /nfs/dbraw/zinc/65/56/07/1384655607.db2.gz PUPFFKBYEPEDFM-ICSRJNTNSA-N 2 0 345.531 3.306 10 0 EGAERP Cc1ccc(C)c([C@H](C)[N@@H+]2CC[C@H](NC(=O)C3([NH+](C)C)CCC3)C2)c1 ZINC001316982969 1384740363 /nfs/dbraw/zinc/74/03/63/1384740363.db2.gz MJTMVDAKAVVLKJ-ROUUACIJSA-N 2 0 343.515 3.039 10 0 EGAERP CC(C)CCC[NH+]1CCC2(C[C@@H]2NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001316996949 1384754099 /nfs/dbraw/zinc/75/40/99/1384754099.db2.gz AYHRHRKEHCSUEF-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CC12CC[NH+](CCC1=CCCCC1)CC2 ZINC001317005076 1384765680 /nfs/dbraw/zinc/76/56/80/1384765680.db2.gz DSHDCEGIKHGYTA-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CCCC(C)(C)C)C1CC1 ZINC001317014366 1384779002 /nfs/dbraw/zinc/77/90/02/1384779002.db2.gz ULRODCNWTWYPTN-ROUUACIJSA-N 2 0 337.552 3.170 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH+](C)CCC2=CCCCC2)C1 ZINC001317042652 1384816063 /nfs/dbraw/zinc/81/60/63/1384816063.db2.gz ZLZFRZSPGSOIPA-FQEVSTJZSA-N 2 0 349.563 3.389 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001317153416 1384919413 /nfs/dbraw/zinc/91/94/13/1384919413.db2.gz QONHNLUJTXNDAS-MNVMYWNISA-N 2 0 349.563 3.291 10 0 EGAERP CCC(CC)C[N@@H+]1CCCC[C@@H]1CNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001317173569 1384943009 /nfs/dbraw/zinc/94/30/09/1384943009.db2.gz OKSULHOWASEYEK-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)c1ccc(C[N@@H+]2CCCC[C@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001317179582 1384954792 /nfs/dbraw/zinc/95/47/92/1384954792.db2.gz UWBWDRFYVGCMQB-FQEVSTJZSA-N 2 0 345.531 3.232 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317200950 1384977190 /nfs/dbraw/zinc/97/71/90/1384977190.db2.gz WHZQGNJVSRIJEB-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)C1(C(=O)NC2CCC([NH2+]CCCC3CCCC3)CC2)CCC1 ZINC001317218009 1384998067 /nfs/dbraw/zinc/99/80/67/1384998067.db2.gz ZPFUIMRRRXHGJM-UHFFFAOYSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1c(C(=O)NC[C@@H](C)[NH2+]CC2CCC(C)CC2)ccc2c[nH+]cn21 ZINC001317259682 1385029898 /nfs/dbraw/zinc/02/98/98/1385029898.db2.gz NPUKRESQASBWET-ISXOHVOVSA-N 2 0 342.487 3.177 10 0 EGAERP C[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCC(C)CC1 ZINC001317275003 1385044282 /nfs/dbraw/zinc/04/42/82/1385044282.db2.gz DXLOBNHCAHVWAL-ADKAHSJRSA-N 2 0 345.531 3.282 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H](C)CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001317293178 1385066067 /nfs/dbraw/zinc/06/60/67/1385066067.db2.gz FFGPLWNCCYBMOL-ICSRJNTNSA-N 2 0 345.531 3.018 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C[N@H+](C)C(C)C)c1 ZINC001317415909 1385126019 /nfs/dbraw/zinc/12/60/19/1385126019.db2.gz PGZCNSQURXLBHQ-ZWKOTPCHSA-N 2 0 333.520 3.189 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@@H]1C)CCC1CCCCC1 ZINC001317491659 1385192156 /nfs/dbraw/zinc/19/21/56/1385192156.db2.gz DQOHZSKYNVBRHZ-HDICACEKSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001317503747 1385208570 /nfs/dbraw/zinc/20/85/70/1385208570.db2.gz ATQHUWKPMGMOHQ-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317504709 1385210323 /nfs/dbraw/zinc/21/03/23/1385210323.db2.gz IGQCSNNJFUNALG-LXORQPIJSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CC1CCCCC1)[NH+]1CCCC1 ZINC001317507464 1385215946 /nfs/dbraw/zinc/21/59/46/1385215946.db2.gz ZSSGUYAYTSDTGT-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001317530724 1385255114 /nfs/dbraw/zinc/25/51/14/1385255114.db2.gz ZAKGICFCFBWOEE-MNVMYWNISA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC001317722047 1385422581 /nfs/dbraw/zinc/42/25/81/1385422581.db2.gz LXCXHRSWNGFITJ-OALUTQOASA-N 2 0 331.504 3.108 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CC1CCC1)c1ccccc1 ZINC001317728126 1385427268 /nfs/dbraw/zinc/42/72/68/1385427268.db2.gz CXEMDRRVEGBTPE-WOJBJXKFSA-N 2 0 343.515 3.108 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CCC2CCCCC2)C1 ZINC001317798733 1385493375 /nfs/dbraw/zinc/49/33/75/1385493375.db2.gz XSVMRUKSLLNDJC-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)N(CC)[C@@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](C)C ZINC001318485041 1385717532 /nfs/dbraw/zinc/71/75/32/1385717532.db2.gz NMVMEJPJRNFTCA-IAGOWNOFSA-N 2 0 325.541 3.076 10 0 EGAERP CC[C@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1CC2(CCC2)C1 ZINC001318581611 1385769515 /nfs/dbraw/zinc/76/95/15/1385769515.db2.gz KRCMMJMLTWAFOU-PKOBYXMFSA-N 2 0 349.563 3.316 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC2(C[NH2+]CCC(C)(C)C)CCCC2)CC[N@@H+]1C ZINC001318635488 1385807182 /nfs/dbraw/zinc/80/71/82/1385807182.db2.gz DMNBTEQDWNLNHW-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]CC2(NC(=O)CC[NH+](C)C)CCCC2)c1 ZINC001318653485 1385817967 /nfs/dbraw/zinc/81/79/67/1385817967.db2.gz HSIUUVBJFZQNMP-QGZVFWFLSA-N 2 0 331.504 3.026 10 0 EGAERP O=C(N1CCC[C@@H](CC[NH2+]CC2CCCC2)C1)C12CCC[NH+]1CCC2 ZINC001318802705 1385857032 /nfs/dbraw/zinc/85/70/32/1385857032.db2.gz BZWOFBMKTJCROH-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)C1 ZINC001318979089 1385907216 /nfs/dbraw/zinc/90/72/16/1385907216.db2.gz MLKGVIFMRKALCQ-UFYCRDLUSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCCC2CC[NH+](CC3=CCCCC3)CC2)C1 ZINC001319031178 1385936321 /nfs/dbraw/zinc/93/63/21/1385936321.db2.gz CGYOHGBKVDKBRT-SFHVURJKSA-N 2 0 347.547 3.047 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1C)CC2 ZINC001319144432 1385977414 /nfs/dbraw/zinc/97/74/14/1385977414.db2.gz DWYDKBOGAXHXOK-PXPVJAHISA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001319352170 1386074579 /nfs/dbraw/zinc/07/45/79/1386074579.db2.gz ROJSQZVAAAXQPA-KRWDZBQOSA-N 2 0 337.552 3.314 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCCC1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001319362501 1386079861 /nfs/dbraw/zinc/07/98/61/1386079861.db2.gz VHJSOJNLYASUHQ-RBUKOAKNSA-N 2 0 347.547 3.212 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)C(C)(C)[N@H+](C)C2CCCC2)CCCC1 ZINC001319363138 1386080768 /nfs/dbraw/zinc/08/07/68/1386080768.db2.gz QRHIYYXXXPFNKB-UHFFFAOYSA-N 2 0 337.552 3.458 10 0 EGAERP c1cc2nsnc2c(C[NH2+]CC2CCN(c3cc[nH+]cc3)CC2)c1 ZINC001178310684 1386185719 /nfs/dbraw/zinc/18/57/19/1386185719.db2.gz BWISLFQJKSYJJB-UHFFFAOYSA-N 2 0 339.468 3.093 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001698633536 1406277516 /nfs/dbraw/zinc/27/75/16/1406277516.db2.gz MDADAZGLIQMLRY-GOSISDBHSA-N 2 0 337.552 3.460 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC1(C[NH2+]C/C=C\Cl)CCCC1 ZINC001698635743 1406280696 /nfs/dbraw/zinc/28/06/96/1406280696.db2.gz DAZVBIFNNDNPSK-XFFZJAGNSA-N 2 0 341.927 3.024 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@@H]1C ZINC001319690152 1386253146 /nfs/dbraw/zinc/25/31/46/1386253146.db2.gz ICHZBWHJOHEXOD-RBUKOAKNSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)c1noc(CC[NH2+][C@H]2CC[N@H+](Cc3ccccc3)C[C@H]2C)n1 ZINC001319767356 1386287273 /nfs/dbraw/zinc/28/72/73/1386287273.db2.gz MIKFQPYQCCHTBT-AEFFLSMTSA-N 2 0 342.487 3.236 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CCC(C)(C)C)C1 ZINC001319775279 1386291868 /nfs/dbraw/zinc/29/18/68/1386291868.db2.gz SYUZWVCAEOMNBY-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N1CCC(CC[N@H+](C)CC2=CCCCC2)CC1)[NH+](C)C ZINC001319888345 1386363600 /nfs/dbraw/zinc/36/36/00/1386363600.db2.gz OMUKYYIUOLYCRY-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@@]12CC[N@H+](C1)CCC2)[NH2+]CC1CCCCCC1 ZINC001319958260 1386420166 /nfs/dbraw/zinc/42/01/66/1386420166.db2.gz OZMMBWLLFGVGDF-CTNGQTDRSA-N 2 0 349.563 3.173 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CN2CC[C@@H](c3ccccc3)C2=O)CC1 ZINC001319992925 1386441119 /nfs/dbraw/zinc/44/11/19/1386441119.db2.gz ASMBUXDKBCLMDU-FQEVSTJZSA-N 2 0 343.515 3.014 10 0 EGAERP CC[C@H](c1ccc(Cl)cc1)[N@H+](C)CCN(C)C(=O)CC[NH+](C)C ZINC001320041294 1386469099 /nfs/dbraw/zinc/46/90/99/1386469099.db2.gz CDMOVGMWRWEJLQ-QGZVFWFLSA-N 2 0 339.911 3.133 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001320147313 1386534746 /nfs/dbraw/zinc/53/47/46/1386534746.db2.gz POVBFWIYPTYVFS-DHJFXDNESA-N 2 0 347.547 3.236 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320145997 1386534774 /nfs/dbraw/zinc/53/47/74/1386534774.db2.gz JRGMPCRHOPFBNV-RTBURBONSA-N 2 0 349.563 3.317 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@H]1CC[C@@H](C2CC2)O1 ZINC001179690477 1386554946 /nfs/dbraw/zinc/55/49/46/1386554946.db2.gz HTZWUKNJUPGIBP-RTWAWAEBSA-N 2 0 344.499 3.208 10 0 EGAERP CCN(CC[NH2+]CCC1CCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001320767271 1386712381 /nfs/dbraw/zinc/71/23/81/1386712381.db2.gz QIEUDVDGBGMANE-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)CC[NH+]1CCCCC1 ZINC001320928386 1386761102 /nfs/dbraw/zinc/76/11/02/1386761102.db2.gz IZHHKBCOOKWDQW-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001698673910 1406322649 /nfs/dbraw/zinc/32/26/49/1406322649.db2.gz OQLZUTVPVKAXLK-VQTJNVASSA-N 2 0 349.563 3.435 10 0 EGAERP C[N@H+](CC(=O)NC/C=C/C[NH2+]CC1CCC2(CC2)CC1)CC(C)(C)C ZINC001321252098 1386857079 /nfs/dbraw/zinc/85/70/79/1386857079.db2.gz UICAEKFZWIPLBT-AATRIKPKSA-N 2 0 349.563 3.197 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001321628162 1386943925 /nfs/dbraw/zinc/94/39/25/1386943925.db2.gz RNBQTZOUYXEFIR-SQNIBIBYSA-N 2 0 345.531 3.135 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+](C)C[C@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001322177722 1387089498 /nfs/dbraw/zinc/08/94/98/1387089498.db2.gz VOJTWHYFWSHLPD-ZWKOTPCHSA-N 2 0 345.531 3.285 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C[NH+](C)Cc1cc2ccccc2s1 ZINC001322274678 1387133826 /nfs/dbraw/zinc/13/38/26/1387133826.db2.gz PTSMVGPAZDWVFB-HNNXBMFYSA-N 2 0 347.528 3.180 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)[C@H](C)[NH2+]Cc1ccc2ccccc2c1 ZINC001329201696 1389018616 /nfs/dbraw/zinc/01/86/16/1389018616.db2.gz FEXVGWMNBVDUCY-DLBZAZTESA-N 2 0 341.499 3.163 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001698711412 1406353420 /nfs/dbraw/zinc/35/34/20/1406353420.db2.gz KPIBRSPYSZHKOA-JZANDJSESA-N 2 0 335.536 3.234 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH2+]CC(C)(C)CN(C)C(=O)CC[NH+](C)C ZINC001329328083 1389063634 /nfs/dbraw/zinc/06/36/34/1389063634.db2.gz OLMFDTYGTZIVMU-QGZVFWFLSA-N 2 0 333.520 3.082 10 0 EGAERP C[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH+](C)CCC1CCCCC1 ZINC001329471204 1389120371 /nfs/dbraw/zinc/12/03/71/1389120371.db2.gz KJFJEQIGTSTZOD-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccccc2CNC(=O)[C@H]2CCCC[C@@H]2[NH3+])C1 ZINC001329564255 1389158827 /nfs/dbraw/zinc/15/88/27/1389158827.db2.gz KVCBYFVFQGIRMP-UXPWSPDFSA-N 2 0 343.515 3.052 10 0 EGAERP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[N@H+](C)CC1CC2(CCC2)C1 ZINC001329612590 1389183698 /nfs/dbraw/zinc/18/36/98/1389183698.db2.gz FMUDKHKFWDBBDL-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH2+]CC1(NC(=O)CC[C@H]2CCC[N@H+]2C)CCCCC1 ZINC001329826343 1389232133 /nfs/dbraw/zinc/23/21/33/1389232133.db2.gz YMBYMLXMMGDUDE-GOSISDBHSA-N 2 0 335.536 3.236 10 0 EGAERP CC[C@@H](C(=O)NCc1ccc(C[NH2+]CC2=CCCCC2)cc1)[NH+](C)C ZINC001698719320 1406364058 /nfs/dbraw/zinc/36/40/58/1406364058.db2.gz AHZHAIMASRAMHN-FQEVSTJZSA-N 2 0 343.515 3.233 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCCC2)C1 ZINC001329861899 1389239687 /nfs/dbraw/zinc/23/96/87/1389239687.db2.gz XGIHIJZJDZDGRM-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP Cc1ccc(C[N@H+]2C[C@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C2)cc1 ZINC001330245682 1389364061 /nfs/dbraw/zinc/36/40/61/1389364061.db2.gz WUZJPJJPKOWLEE-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2C[C@H](C[NH2+]CC3CCC(C)(C)CC3)C2)CC1 ZINC001330649656 1389482795 /nfs/dbraw/zinc/48/27/95/1389482795.db2.gz ANMDFIXTOPTKHK-IYARVYRRSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001330666735 1389489785 /nfs/dbraw/zinc/48/97/85/1389489785.db2.gz IXAOJHHDFGDEIR-MISYRCLQSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1)[NH+]1CCCC1 ZINC001330709898 1389506384 /nfs/dbraw/zinc/50/63/84/1389506384.db2.gz ZAFZDWYMHSSYGX-UFYCRDLUSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@@H](CN(C)C(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CC(C)(C)C1 ZINC001331597517 1389820902 /nfs/dbraw/zinc/82/09/02/1389820902.db2.gz SOBHSIGQIQCWOS-INIZCTEOSA-N 2 0 345.531 3.235 10 0 EGAERP Cc1nc[nH]c1CC(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C(C)C)cc1 ZINC001331629119 1389835858 /nfs/dbraw/zinc/83/58/58/1389835858.db2.gz POPCPHPTQPHDCE-HNNXBMFYSA-N 2 0 342.487 3.021 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CC[C@@H]([NH2+]CCCC3CCC3)[C@H]2C)CC1 ZINC001331927686 1389914461 /nfs/dbraw/zinc/91/44/61/1389914461.db2.gz DKOAKWOQSYJSIE-YLJYHZDGSA-N 2 0 349.563 3.266 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H]2CCN(C(=O)C[N@H+](C)C(C)C)[C@H]2C)cc1 ZINC001331944305 1389921120 /nfs/dbraw/zinc/92/11/20/1389921120.db2.gz ONKGJHUQYOQAIA-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP CCCCC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001332011202 1389945388 /nfs/dbraw/zinc/94/53/88/1389945388.db2.gz ZIZCGTCKHSVIDE-GDBMZVCRSA-N 2 0 328.460 3.026 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001332309537 1390083053 /nfs/dbraw/zinc/08/30/53/1390083053.db2.gz KIUHJUJCRLCDGQ-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP C[NH+](C)CCCC(=O)N1C[C@@H]([NH2+]CCC2=CCCCC2)C(C)(C)C1 ZINC001332413309 1390110164 /nfs/dbraw/zinc/11/01/64/1390110164.db2.gz NNXYGEIINCQVLY-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)C[NH+](C)C1CCC1)C(C)C ZINC001332711582 1390165005 /nfs/dbraw/zinc/16/50/05/1390165005.db2.gz UFYYWLBGZIWOLG-UHFFFAOYSA-N 2 0 345.531 3.148 10 0 EGAERP CCC(CC)C[NH+]1CCC([C@@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001332950644 1390223236 /nfs/dbraw/zinc/22/32/36/1390223236.db2.gz VPSGPOUOPGTWSR-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001332960059 1390224404 /nfs/dbraw/zinc/22/44/04/1390224404.db2.gz LEMMDVDTJFGPCB-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCC[C@@H](CNc2[nH+]ccc3cc(OC)c(OC)cc32)C1 ZINC001333671338 1390370541 /nfs/dbraw/zinc/37/05/41/1390370541.db2.gz HAHMLEUBEKJRAU-AWEZNQCLSA-N 2 0 329.444 3.396 10 0 EGAERP Cc1cccc(NC[C@@H]2CCC[N@H+]2Cc2c(C3CCC3)cnn2C)n1 ZINC001333924764 1390440794 /nfs/dbraw/zinc/44/07/94/1390440794.db2.gz ULJODVIQIRULST-KRWDZBQOSA-N 2 0 339.487 3.468 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)CC(=O)C23CC4CC(CC(C4)C2)C3)[C@H](C)C1 ZINC001335059503 1390636798 /nfs/dbraw/zinc/63/67/98/1390636798.db2.gz GZMZVGYXYBATQP-AGWGEYTISA-N 2 0 332.532 3.434 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)CCCC1 ZINC001698802159 1406479726 /nfs/dbraw/zinc/47/97/26/1406479726.db2.gz BWFHVUNWTGJWKP-ROUUACIJSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC[C@H](C)F)CCCC1 ZINC001698804117 1406483166 /nfs/dbraw/zinc/48/31/66/1406483166.db2.gz SFTUSAAKXBWPGP-IRXDYDNUSA-N 2 0 341.515 3.016 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001698826499 1406519737 /nfs/dbraw/zinc/51/97/37/1406519737.db2.gz ZYSIADHTUKWZLE-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)C[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001488747177 1391715617 /nfs/dbraw/zinc/71/56/17/1391715617.db2.gz UAMUKZHRNJJYMU-GBESFXJTSA-N 2 0 349.563 3.029 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[N@H+](C)CCC)C2)CC1 ZINC001479501843 1392258648 /nfs/dbraw/zinc/25/86/48/1392258648.db2.gz FKZLLADBUGLDFP-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)CCC[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001479523522 1392267891 /nfs/dbraw/zinc/26/78/91/1392267891.db2.gz FQSYGJYGQLIXBF-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001479527113 1392270174 /nfs/dbraw/zinc/27/01/74/1392270174.db2.gz ZDIHXMZYUKKEJZ-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CN(C)Cc1ccccc1 ZINC001479599279 1392284804 /nfs/dbraw/zinc/28/48/04/1392284804.db2.gz CLKVYWLQNLNTQZ-UYAOXDASSA-N 2 0 345.531 3.135 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCCCC[C@@H]([NH2+]C(C)C)C1)c1ccccc1 ZINC001479695045 1392326113 /nfs/dbraw/zinc/32/61/13/1392326113.db2.gz UJGVSVCBCQIFEJ-UXHICEINSA-N 2 0 345.531 3.449 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@H]1CCCCN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001479834942 1392420623 /nfs/dbraw/zinc/42/06/23/1392420623.db2.gz SWSQEQHTCHBSSJ-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001479854681 1392434606 /nfs/dbraw/zinc/43/46/06/1392434606.db2.gz LPAADPDFSHAHHY-VQIMIIECSA-N 2 0 343.531 3.073 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001479865727 1392443207 /nfs/dbraw/zinc/44/32/07/1392443207.db2.gz WVXKUOCXNNDNFO-UXHICEINSA-N 2 0 343.515 3.203 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1CC[NH+](CC2=CCCCC2)C1)C1CCCCC1 ZINC001479959089 1392495231 /nfs/dbraw/zinc/49/52/31/1392495231.db2.gz ABMKJVFJCOOZCQ-IBGZPJMESA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698860222 1406569915 /nfs/dbraw/zinc/56/99/15/1406569915.db2.gz IEVRFVHFGVFQOH-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001479984374 1392516958 /nfs/dbraw/zinc/51/69/58/1392516958.db2.gz BCASLODZGNEBOM-LKGOPFMKSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C\CC[NH+]1CCC2(C[C@@H]2NC(=O)[C@H](CC)[NH+](C)C)CC1 ZINC001479984826 1392517315 /nfs/dbraw/zinc/51/73/15/1392517315.db2.gz HVXSQLUXHSESLW-VTFYZGIISA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001479989069 1392520760 /nfs/dbraw/zinc/52/07/60/1392520760.db2.gz OXPSPTVLGGMKST-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCCC[NH+]1CCC(N(CCC)C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001479996606 1392528770 /nfs/dbraw/zinc/52/87/70/1392528770.db2.gz OJBXEKMAOUWYQK-QZTJIDSGSA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1=CCCCC1)C1CC1 ZINC001480021291 1392538339 /nfs/dbraw/zinc/53/83/39/1392538339.db2.gz YTSVOGHRDBYKPP-WOJBJXKFSA-N 2 0 347.547 3.234 10 0 EGAERP CC(C)=CC[NH2+][C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)C1CC1 ZINC001480042926 1392548027 /nfs/dbraw/zinc/54/80/27/1392548027.db2.gz LLEFBMLHZORGGI-PMACEKPBSA-N 2 0 347.547 3.234 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CC(C)(C)C2)C1 ZINC001480211335 1392623749 /nfs/dbraw/zinc/62/37/49/1392623749.db2.gz MCKNCSXHBXAEDN-CALCHBBNSA-N 2 0 349.563 3.312 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CCCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001480304901 1392668314 /nfs/dbraw/zinc/66/83/14/1392668314.db2.gz NLENZPDDMWKUPB-RTBURBONSA-N 2 0 337.552 3.127 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)C1([NH+](C)C)CCC1 ZINC001480318492 1392678669 /nfs/dbraw/zinc/67/86/69/1392678669.db2.gz IUHDBYPJWKTVEH-DKFQHHCZSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480322938 1392683696 /nfs/dbraw/zinc/68/36/96/1392683696.db2.gz HPVXKTILHKIWPI-OISZBXDOSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001480364146 1392707681 /nfs/dbraw/zinc/70/76/81/1392707681.db2.gz KZDSQOGQGJJXHO-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@H](C)[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1 ZINC001480595517 1392810552 /nfs/dbraw/zinc/81/05/52/1392810552.db2.gz BTXAPQKCLDIBQE-IRXDYDNUSA-N 2 0 347.547 3.480 10 0 EGAERP CCC[NH2+]CCc1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001480715002 1392876805 /nfs/dbraw/zinc/87/68/05/1392876805.db2.gz QUVQRTIXTUTYQV-SFHVURJKSA-N 2 0 345.531 3.109 10 0 EGAERP CC[C@H](c1ccccc1)[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001480734933 1392900252 /nfs/dbraw/zinc/90/02/52/1392900252.db2.gz PHEFWBMISMNKGK-RTBURBONSA-N 2 0 331.504 3.012 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001480801471 1392942534 /nfs/dbraw/zinc/94/25/34/1392942534.db2.gz XKWJAWHRQQUBCF-KRWDZBQOSA-N 2 0 339.568 3.418 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CCCCC1 ZINC001481012245 1393089007 /nfs/dbraw/zinc/08/90/07/1393089007.db2.gz WANAMSRVKHBTFW-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCCC1 ZINC001481043790 1393104500 /nfs/dbraw/zinc/10/45/00/1393104500.db2.gz FPDTZIUWQXJBCS-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CC[NH+]1CCCCC1)NCC[N@H+](CC1CC2(CCC2)C1)C1CC1 ZINC001481200763 1393148895 /nfs/dbraw/zinc/14/88/95/1393148895.db2.gz SBXZZTQUTCTSNK-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP C[C@@H]([NH2+]CCN(C)C(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1)c1ccccc1 ZINC001481278808 1393157293 /nfs/dbraw/zinc/15/72/93/1393157293.db2.gz ABKWNIXJJGSQFT-OXQOHEQNSA-N 2 0 349.494 3.008 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001481335838 1393166292 /nfs/dbraw/zinc/16/62/92/1393166292.db2.gz RVYFVPLRCWSKKP-YKMDAGRBSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@@H](C)[NH2+]C/C=C\Cl)CC1)[NH+](CC)CC ZINC001481339963 1393167732 /nfs/dbraw/zinc/16/77/32/1393167732.db2.gz GILDJELRVPVRLB-MAXASMSTSA-N 2 0 343.943 3.076 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@H]([NH2+]CCCC2CCCC2)[C@H](C)C1 ZINC001698896291 1406629108 /nfs/dbraw/zinc/62/91/08/1406629108.db2.gz YJUKGLKITBOTNM-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CCCC2)C1 ZINC001698919615 1406654364 /nfs/dbraw/zinc/65/43/64/1406654364.db2.gz CSPHJTGMZVYKMJ-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H]([C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001698938776 1406678856 /nfs/dbraw/zinc/67/88/56/1406678856.db2.gz NWZIDNXJZMUBHK-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[NH2+][C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)c1ccccc1 ZINC001481374300 1394216042 /nfs/dbraw/zinc/21/60/42/1394216042.db2.gz LIUHPXCYLMGXQP-VQTJNVASSA-N 2 0 345.531 3.210 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[NH+](CCCC2CCC2)C1 ZINC001490549720 1394251833 /nfs/dbraw/zinc/25/18/33/1394251833.db2.gz DDOSWMYBLYDYLV-SFHVURJKSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCCC[NH+]1CCC2(C[C@H]2NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001490604505 1394279492 /nfs/dbraw/zinc/27/94/92/1394279492.db2.gz MFUXUCORPOFOJK-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)[C@@H]1C[NH2+]CCCC1CCC1 ZINC001698946238 1406686114 /nfs/dbraw/zinc/68/61/14/1406686114.db2.gz OFDGSETUGLWRRO-YLJYHZDGSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001490768431 1394331406 /nfs/dbraw/zinc/33/14/06/1394331406.db2.gz NHYPUFYVHVTKCS-ICSRJNTNSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001490775727 1394338806 /nfs/dbraw/zinc/33/88/06/1394338806.db2.gz DCEZOPWQGFIWEJ-LJQANCHMSA-N 2 0 337.552 3.223 10 0 EGAERP C[N@H+](CC1CCCC1)C[C@H]1CCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001481509855 1394357220 /nfs/dbraw/zinc/35/72/20/1394357220.db2.gz QQRDOJNHGSDPOH-HXUWFJFHSA-N 2 0 349.563 3.223 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC(C[N@H+](C)CC2CCC3(CC3)CC2)CC1 ZINC001481518488 1394368473 /nfs/dbraw/zinc/36/84/73/1394368473.db2.gz WGPOFYLAVZWCDB-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001490901701 1394369939 /nfs/dbraw/zinc/36/99/39/1394369939.db2.gz GMGOIFFXJOIRJG-FHWLQOOXSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)C1)c1ccccc1 ZINC001490959846 1394384880 /nfs/dbraw/zinc/38/48/80/1394384880.db2.gz HVIXICJDKOPIKI-MISYRCLQSA-N 2 0 343.515 3.251 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCC2)C1)c1ccccc1 ZINC001491069659 1394418098 /nfs/dbraw/zinc/41/80/98/1394418098.db2.gz LRUVLEVDXIZGDU-HSALFYBXSA-N 2 0 343.515 3.106 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)NC1C[NH+](CC2CCCCCC2)C1 ZINC001481605839 1394418805 /nfs/dbraw/zinc/41/88/05/1394418805.db2.gz HAHQLGHHMFPSDY-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001491109265 1394430697 /nfs/dbraw/zinc/43/06/97/1394430697.db2.gz FZMRSHLJTUWEGM-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001491126872 1394444097 /nfs/dbraw/zinc/44/40/97/1394444097.db2.gz VAVOTKKVAILERQ-KKHYBRAUSA-N 2 0 349.563 3.293 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)CC[NH+]2CCCCC2)C1 ZINC001491132360 1394446505 /nfs/dbraw/zinc/44/65/05/1394446505.db2.gz BVVAUGOEKTUEAR-ZRHASKPBSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001481696652 1394457957 /nfs/dbraw/zinc/45/79/57/1394457957.db2.gz DFDMFNGBVVQEHU-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001481702225 1394460659 /nfs/dbraw/zinc/46/06/59/1394460659.db2.gz KMGYQZVXSAAEJX-QZTJIDSGSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)NC[C@@H]1CCCC[N@@H+]1CCC1CCCCC1 ZINC001491222267 1394480006 /nfs/dbraw/zinc/48/00/06/1394480006.db2.gz JSMWYVAQMZGSTC-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccc(C)c(C[N@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001481746460 1394491484 /nfs/dbraw/zinc/49/14/84/1394491484.db2.gz FLGAISLVEGFUHS-FQEVSTJZSA-N 2 0 345.531 3.068 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2C[NH2+]CCC2CCCCC2)C1 ZINC001491269491 1394497937 /nfs/dbraw/zinc/49/79/37/1394497937.db2.gz DPWCAPRETZGQMS-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(CC)C(=O)CC[NH+]2CCCCC2)C1 ZINC001481782398 1394527237 /nfs/dbraw/zinc/52/72/37/1394527237.db2.gz PICLYKXMVYEXAJ-ZMBJWTFHSA-N 2 0 335.536 3.142 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@H+](Cc2cc(C)ccc2C)C1 ZINC001481782231 1394527285 /nfs/dbraw/zinc/52/72/85/1394527285.db2.gz ORVGGRGBOOFHNV-HXUWFJFHSA-N 2 0 345.531 3.066 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]C/C=C\Cl ZINC001481844747 1394555270 /nfs/dbraw/zinc/55/52/70/1394555270.db2.gz SOPAGLWHEHTYPV-DTNIQAGCSA-N 2 0 341.927 3.020 10 0 EGAERP CC[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856154 1394561792 /nfs/dbraw/zinc/56/17/92/1394561792.db2.gz PHKJPTSLWGVKOI-IEBWSBKVSA-N 2 0 335.536 3.236 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001482016907 1394673773 /nfs/dbraw/zinc/67/37/73/1394673773.db2.gz PGWLRBAOLSLECS-QRQJLMRGSA-N 2 0 335.536 3.234 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@H]2CC[C@H]([NH2+]CCC(C)C)CC2)C1 ZINC001482021083 1394677959 /nfs/dbraw/zinc/67/79/59/1394677959.db2.gz GWUDWUXVWWXFKI-FHWLQOOXSA-N 2 0 337.552 3.172 10 0 EGAERP CCCC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CC1 ZINC001482050277 1394713186 /nfs/dbraw/zinc/71/31/86/1394713186.db2.gz VDTXZTWASGPFNL-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NCC1([NH2+]CCCC2CCC2)CCCC1)C12CCC[NH+]1CCC2 ZINC001482223604 1394817231 /nfs/dbraw/zinc/81/72/31/1394817231.db2.gz IHRMPQZKRXPGBP-UHFFFAOYSA-N 2 0 347.547 3.214 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC001482398468 1394959610 /nfs/dbraw/zinc/95/96/10/1394959610.db2.gz NPRCUQZTWCLENC-OALUTQOASA-N 2 0 337.552 3.029 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482406709 1394970477 /nfs/dbraw/zinc/97/04/77/1394970477.db2.gz SZDFZZIGGCUKML-WOJBJXKFSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CC1CCCCC1 ZINC001482436561 1394997479 /nfs/dbraw/zinc/99/74/79/1394997479.db2.gz VOYVPBUWNOFLBZ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1cccc(C)c1 ZINC001482464201 1395021181 /nfs/dbraw/zinc/02/11/81/1395021181.db2.gz WUAZGBZXAMLQBS-FQEVSTJZSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]CCC(C)(C)C ZINC001698973415 1406739291 /nfs/dbraw/zinc/73/92/91/1406739291.db2.gz XSQMSCXBCFSLER-MRXNPFEDSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001483932374 1395150133 /nfs/dbraw/zinc/15/01/33/1395150133.db2.gz FFLSFULDURLCRJ-INIZCTEOSA-N 2 0 337.533 3.050 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]1C[NH2+]CC1=CCCCC1)[NH+](CC)CC ZINC001483945495 1395156315 /nfs/dbraw/zinc/15/63/15/1395156315.db2.gz ZGHWVWUIPYEQNY-MOPGFXCFSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC[C@H]1C[NH2+]Cc1c(C)cc(C)cc1C ZINC001483950407 1395158749 /nfs/dbraw/zinc/15/87/49/1395158749.db2.gz MUAHSSIDVVLYGV-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)c1ccc2ccccc2c1 ZINC001483991470 1395175451 /nfs/dbraw/zinc/17/54/51/1395175451.db2.gz AIXNCXDIQVSHQY-PMACEKPBSA-N 2 0 339.483 3.091 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CC3CCCCC3)C2)C1 ZINC001484023193 1395194908 /nfs/dbraw/zinc/19/49/08/1395194908.db2.gz XRYQAAVRVGGZEG-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001484102172 1395251089 /nfs/dbraw/zinc/25/10/89/1395251089.db2.gz WRYBTLQNAIIRPE-QRWLVFNGSA-N 2 0 342.487 3.131 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CC[C@@](C)(C[NH2+]CCCC3CCC3)C2)CC1 ZINC001484116069 1395260156 /nfs/dbraw/zinc/26/01/56/1395260156.db2.gz ZQLPKJIALDWCEP-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP CC1(CNC(=O)C[NH+]2CCCC2)CC[NH+](CCCC2CCCC2)CC1 ZINC001484146938 1395282490 /nfs/dbraw/zinc/28/24/90/1395282490.db2.gz JMDXHEAVISBYIV-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CCCC[N@@H+]1CCC[C@](C)(CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001484170391 1395310418 /nfs/dbraw/zinc/31/04/18/1395310418.db2.gz PGFZQRBACAMEDX-AZUAARDMSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001484558093 1395440814 /nfs/dbraw/zinc/44/08/14/1395440814.db2.gz ZHJPDFXEPWNXGG-SFHVURJKSA-N 2 0 343.515 3.043 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@H+](CCC2CCCCC2)CC1)[NH+](C)C ZINC001484723854 1395487263 /nfs/dbraw/zinc/48/72/63/1395487263.db2.gz KQIZXCYCMQJVLW-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H]2CCC[NH+](CCCC(C)(C)C)CC2)C1 ZINC001484724122 1395487825 /nfs/dbraw/zinc/48/78/25/1395487825.db2.gz NNCHQXNMBJZQKF-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC1 ZINC001484728409 1395491401 /nfs/dbraw/zinc/49/14/01/1395491401.db2.gz OBXSLIXCTDYXFI-WLMAVBAVSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCC2)C1 ZINC001485110806 1395660075 /nfs/dbraw/zinc/66/00/75/1395660075.db2.gz WXFBFBLVPJNQMN-MHJFOBGBSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[N@H+](C)[C@H](C)CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001485304369 1395783103 /nfs/dbraw/zinc/78/31/03/1395783103.db2.gz VTKMIPOKIXINDA-WYNBNGFRSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+](C)[C@@H](C)CNC(=O)C[NH+]2CCCC2)cc1 ZINC001485382532 1395867125 /nfs/dbraw/zinc/86/71/25/1395867125.db2.gz GMTBLTPXPTYVMH-ZWKOTPCHSA-N 2 0 345.531 3.403 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001485694883 1396104301 /nfs/dbraw/zinc/10/43/01/1396104301.db2.gz YCAZVINKOPIPJT-FCGDIQPGSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC2(CCC2)C1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001485742931 1396128496 /nfs/dbraw/zinc/12/84/96/1396128496.db2.gz UTISKQLBJGOZES-SFHVURJKSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH+](C)C1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)CC1 ZINC001485764022 1396139533 /nfs/dbraw/zinc/13/95/33/1396139533.db2.gz JAXCHHKTNYLCFS-IBGZPJMESA-N 2 0 335.536 3.138 10 0 EGAERP CCC(CC)C[N@H+](C)C1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[NH+]32)CC1 ZINC001485763724 1396139577 /nfs/dbraw/zinc/13/95/77/1396139577.db2.gz FCLXNUSAALDPJG-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP CC1(C)CC(C[NH2+][C@@H]2CN(C(=O)CCC[NH+]3CCCC3)CC2(C)C)C1 ZINC001486250403 1396189843 /nfs/dbraw/zinc/18/98/43/1396189843.db2.gz QOWKVUUIVGVAKV-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCCC2)C[C@@H]1[NH2+]CCCC1CCC1 ZINC001502714628 1396219236 /nfs/dbraw/zinc/21/92/36/1396219236.db2.gz BREZIMCFRMHKBW-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001502732095 1396222819 /nfs/dbraw/zinc/22/28/19/1396222819.db2.gz WATBJHDJNVGQTP-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[NH+](CC2CC(C)(C)C2)[C@@H](C)C1 ZINC001503014920 1396241110 /nfs/dbraw/zinc/24/11/10/1396241110.db2.gz QAOYSKBCCLIQEV-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](CCNC(=O)C[C@H]1CC[NH+](C)C1)Cc1ccccc1C(C)C ZINC001493042378 1396333794 /nfs/dbraw/zinc/33/37/94/1396333794.db2.gz CIZGIMGQRBHYRW-GOSISDBHSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](CC1CC(C)(C)C1)C1CC1)[NH+]1CCCC1 ZINC001493448432 1396340088 /nfs/dbraw/zinc/34/00/88/1396340088.db2.gz BHHSZTFCBCAUHJ-LJQANCHMSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)[C@H](C)C[NH2+]CCC1=CCCCC1 ZINC001496078466 1396596442 /nfs/dbraw/zinc/59/64/42/1396596442.db2.gz DZOMZLJTILZQPZ-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001496403573 1396690960 /nfs/dbraw/zinc/69/09/60/1396690960.db2.gz KAJTWDIAFQVCBM-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001496414128 1396697332 /nfs/dbraw/zinc/69/73/32/1396697332.db2.gz KZRIASHYSKXFOY-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)[C@H]1C[NH2+]CCCC1CCCC1 ZINC001496492673 1396710268 /nfs/dbraw/zinc/71/02/68/1396710268.db2.gz XJQNVCHZCZNBHE-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C\C[NH2+]CC1CCCCCC1 ZINC001497761991 1396832000 /nfs/dbraw/zinc/83/20/00/1396832000.db2.gz DOHRMYUHVCBUPD-OLHLWXQYSA-N 2 0 335.536 3.093 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH+](C)CCCC2CCCC2)CC[N@@H+]1C ZINC001498289445 1396959122 /nfs/dbraw/zinc/95/91/22/1396959122.db2.gz RQAGTJJREDMWMW-NZSAHSFTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001689262748 1396995885 /nfs/dbraw/zinc/99/58/85/1396995885.db2.gz VKLYGXIPZNZANS-PFRNKHFKSA-N 2 0 349.563 3.434 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCC(C)(C)C)C2)C1 ZINC001689271492 1397006381 /nfs/dbraw/zinc/00/63/81/1397006381.db2.gz LAOJVYKLRDNCFI-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)CC(C)(C)C1 ZINC001689363485 1403700769 /nfs/dbraw/zinc/70/07/69/1403700769.db2.gz URZSHFDUMSOSBO-ZWHYWQQASA-N 2 0 337.552 3.290 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CCC1CCCCCC1 ZINC001689810415 1404150336 /nfs/dbraw/zinc/15/03/36/1404150336.db2.gz AAEMCLVTBGQWSU-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CCC1CCCCCC1 ZINC001689810416 1404150922 /nfs/dbraw/zinc/15/09/22/1404150922.db2.gz AAEMCLVTBGQWSU-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@H]1[C@H](C)[NH2+]CCC(C)(C)C ZINC001689912177 1404205650 /nfs/dbraw/zinc/20/56/50/1404205650.db2.gz RLBYOHHKMHWSFP-IRXDYDNUSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)=CC[N@@H+](CCCNC(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1)C1CC1 ZINC001690012381 1404254837 /nfs/dbraw/zinc/25/48/37/1404254837.db2.gz AZJFOMZLLIYUMG-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccsc2)C1 ZINC001690051643 1404284708 /nfs/dbraw/zinc/28/47/08/1404284708.db2.gz KNPUKEFXDZCPSW-SFHVURJKSA-N 2 0 349.544 3.095 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H]2NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001690122779 1404316043 /nfs/dbraw/zinc/31/60/43/1404316043.db2.gz BJVBVVMBVAVWIN-GOSISDBHSA-N 2 0 347.547 3.023 10 0 EGAERP CCCN(C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)C1CC[NH+](C[C@@H](C)CC)CC1 ZINC001690135595 1404331838 /nfs/dbraw/zinc/33/18/38/1404331838.db2.gz MLJJVNQJTSLLTJ-CGTJXYLNSA-N 2 0 346.519 3.262 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001690187896 1404388485 /nfs/dbraw/zinc/38/84/85/1404388485.db2.gz CARUEQBJVMNBAY-ZBWOGFRMSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001690199640 1404411561 /nfs/dbraw/zinc/41/15/61/1404411561.db2.gz WKLXXLDWPYGFLY-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CCCCC2)C1 ZINC001690370353 1404501322 /nfs/dbraw/zinc/50/13/22/1404501322.db2.gz STLKCYZKKOPEPN-KDURUIRLSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001690380451 1404512295 /nfs/dbraw/zinc/51/22/95/1404512295.db2.gz AAHVQYMPQLGIFW-SFHVURJKSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1[C@H](C(=O)NC[C@H]2CCCC[NH+]2CCCC(C)(C)C)CC[N@@H+]1C ZINC001690446023 1404569791 /nfs/dbraw/zinc/56/97/91/1404569791.db2.gz ITBXQIIMCAGOJR-KZNAEPCWSA-N 2 0 337.552 3.124 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1)CC(C)(C)C ZINC001690455358 1404583437 /nfs/dbraw/zinc/58/34/37/1404583437.db2.gz SNUFNSVBAYMGHQ-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001690471863 1404596446 /nfs/dbraw/zinc/59/64/46/1404596446.db2.gz WQYXDNGVWDKKDF-VQTJNVASSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)(C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1)[NH+]1CCCC1 ZINC001690539107 1404626612 /nfs/dbraw/zinc/62/66/12/1404626612.db2.gz RBMABFGVOPEKRX-UHFFFAOYSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001690727876 1404698983 /nfs/dbraw/zinc/69/89/83/1404698983.db2.gz FSIBRYSGTLAVSQ-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C)CCC[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001725384374 1426031917 /nfs/dbraw/zinc/03/19/17/1426031917.db2.gz DTKIHMQFFJSSCF-YTQUADARSA-N 2 0 335.536 3.092 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CCC(C)(C)CC1 ZINC001690983675 1404896577 /nfs/dbraw/zinc/89/65/77/1404896577.db2.gz UBKPSOVHJHVMOB-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCC[NH+](C)CC/C=C/c1ccccc1 ZINC001690998574 1404915402 /nfs/dbraw/zinc/91/54/02/1404915402.db2.gz NDBKOYDOTYXWRI-BZZHFGAJSA-N 2 0 343.515 3.011 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCC(C)CC2)CC1 ZINC001732002056 1428213029 /nfs/dbraw/zinc/21/30/29/1428213029.db2.gz ZGVBOFWILSVRBU-ZMBJWTFHSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001691113930 1405054247 /nfs/dbraw/zinc/05/42/47/1405054247.db2.gz YLMQHEIIKQMJGM-RBUKOAKNSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCCC1 ZINC001691163046 1405098050 /nfs/dbraw/zinc/09/80/50/1405098050.db2.gz NEJYLQIXTVTQTO-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1ccsc1 ZINC001691194035 1405131796 /nfs/dbraw/zinc/13/17/96/1405131796.db2.gz KAFCOZQOBJLPBE-ROUUACIJSA-N 2 0 349.544 3.093 10 0 EGAERP CCC[N@H+](CCNC(=O)C12CC[NH+](CC1)C2)CC1CCC(C)(C)CC1 ZINC001691196572 1405136137 /nfs/dbraw/zinc/13/61/37/1405136137.db2.gz UCHIXDQWVMVNBC-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP O=C(NCC[N@H+](CCCC1CCC1)C1CC1)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001691230859 1405170528 /nfs/dbraw/zinc/17/05/28/1405170528.db2.gz SIJDTDXHJISOLH-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP CN(CC[NH2+]CCC(C)(C)C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001691319433 1405204055 /nfs/dbraw/zinc/20/40/55/1405204055.db2.gz IQBOZIRBCNPCBV-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)C1 ZINC001691470504 1405288727 /nfs/dbraw/zinc/28/87/27/1405288727.db2.gz KHSQDZOLZRDGJN-ZSYWTGECSA-N 2 0 335.536 3.068 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2([NH+](C)C)CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001691480389 1405294666 /nfs/dbraw/zinc/29/46/66/1405294666.db2.gz YZVDRKWDALCWRM-RBUKOAKNSA-N 2 0 349.563 3.410 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CCC1CC1 ZINC001691485705 1405296576 /nfs/dbraw/zinc/29/65/76/1405296576.db2.gz PIULSQBTXYGMNO-RBUKOAKNSA-N 2 0 349.563 3.409 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2C[NH+]3CCC2CC3)C1 ZINC001691621819 1405362768 /nfs/dbraw/zinc/36/27/68/1405362768.db2.gz ZIBXLWQPDCPFLR-JGAFRWBPSA-N 2 0 347.547 3.045 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001691632960 1405369948 /nfs/dbraw/zinc/36/99/48/1405369948.db2.gz UCJGNDBGACBARC-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001691692611 1405427080 /nfs/dbraw/zinc/42/70/80/1405427080.db2.gz QWPIXCFMVJDJAW-GOSISDBHSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C)CCC(C)(C)C ZINC001691736154 1405457958 /nfs/dbraw/zinc/45/79/58/1405457958.db2.gz KTBYPLOPEKHYIE-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)Cc2cccc(C)c2)CC[N@@H+]1C ZINC001731309529 1427251172 /nfs/dbraw/zinc/25/11/72/1427251172.db2.gz RIUCYXUZMOGEPV-VQTJNVASSA-N 2 0 345.531 3.054 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001691785925 1405494417 /nfs/dbraw/zinc/49/44/17/1405494417.db2.gz IXHREGORIJLRKT-JZANDJSESA-N 2 0 335.536 3.092 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691813120 1405525649 /nfs/dbraw/zinc/52/56/49/1405525649.db2.gz HFTMADSOFLFTCV-YZPMEYCISA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[N@H+](C/C=C/Cl)CC(C)(C)C1 ZINC001691823374 1405539418 /nfs/dbraw/zinc/53/94/18/1405539418.db2.gz NKXFYSCOOANRPB-JCVNQNCUSA-N 2 0 343.943 3.078 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N2CC[C@@H](C)C[C@H]2C[NH2+]CC=C(C)C)C1 ZINC001691834051 1405548047 /nfs/dbraw/zinc/54/80/47/1405548047.db2.gz AOKCNAIEBDSERL-AABGKKOBSA-N 2 0 349.563 3.291 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001691853548 1405570290 /nfs/dbraw/zinc/57/02/90/1405570290.db2.gz YTMLCFSPPPLQMH-OALUTQOASA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001691924375 1405655761 /nfs/dbraw/zinc/65/57/61/1405655761.db2.gz AHFYHMKKSGFKLM-OTWHNJEPSA-N 2 0 337.552 3.170 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+][C@H](C)c2cccc(C)c2)C1 ZINC001691935179 1405661207 /nfs/dbraw/zinc/66/12/07/1405661207.db2.gz LABCTRFRRRFTAK-WSTZPKSXSA-N 2 0 345.531 3.272 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[C@@H]([NH2+]Cc2ccc(C)c(C)c2)C1 ZINC001691936650 1405662421 /nfs/dbraw/zinc/66/24/21/1405662421.db2.gz ZMMSJPNLKRUGMC-VQTJNVASSA-N 2 0 345.531 3.020 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@H]2CC[C@@H]([NH2+]CCC3=CCCCC3)C2)C1 ZINC001691938995 1405663857 /nfs/dbraw/zinc/66/38/57/1405663857.db2.gz ZPXYDDLGRNDXLC-XUVXKRRUSA-N 2 0 347.547 3.093 10 0 EGAERP CC/C=C\CC[NH+]1CCC2(C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)CC1 ZINC001691960333 1405677686 /nfs/dbraw/zinc/67/76/86/1405677686.db2.gz PAARJFMENXBUJA-QULHZPMSSA-N 2 0 349.563 3.386 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+](C)C)CC[N@@H+]1Cc1ccc(C)cc1C ZINC001692005411 1405722446 /nfs/dbraw/zinc/72/24/46/1405722446.db2.gz XSURNBUBWZTHRD-VQTJNVASSA-N 2 0 345.531 3.114 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+]1CCCCC1 ZINC001692102068 1405771959 /nfs/dbraw/zinc/77/19/59/1405771959.db2.gz ZBJUXJXSRFVQBT-UNQUKWGNSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001692139286 1405794649 /nfs/dbraw/zinc/79/46/49/1405794649.db2.gz GTXVRSCEEOMOLE-QRQLOZEOSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)[C@H]1C ZINC001692236484 1405862315 /nfs/dbraw/zinc/86/23/15/1405862315.db2.gz CZXNCZRFHUEEEV-WYBNUAJGSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCCCC1 ZINC001692257366 1405883754 /nfs/dbraw/zinc/88/37/54/1405883754.db2.gz ALGMXUDZNBHELY-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001692280582 1405916568 /nfs/dbraw/zinc/91/65/68/1405916568.db2.gz YPQRIRHEYXLUOD-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001698569912 1406173960 /nfs/dbraw/zinc/17/39/60/1406173960.db2.gz BKAPCRUUTUHJIZ-ROUKRRSUSA-N 2 0 343.515 3.251 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)c1ccc(C(C)C)cc1 ZINC001732017872 1428233721 /nfs/dbraw/zinc/23/37/21/1428233721.db2.gz OYVBMFUSFZZGSR-AHRSYUTCSA-N 2 0 345.531 3.306 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001732038151 1428261943 /nfs/dbraw/zinc/26/19/43/1428261943.db2.gz DNMGQCRIASUFRR-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732154506 1428398353 /nfs/dbraw/zinc/39/83/53/1428398353.db2.gz ROQHXEGGRGGDPS-HHOLJBISSA-N 2 0 347.547 3.330 10 0 EGAERP CC[C@@H](CNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001732213438 1428461239 /nfs/dbraw/zinc/46/12/39/1428461239.db2.gz ZXVHJRNQQMAARX-AEFFLSMTSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CCCC1 ZINC001732230891 1428477900 /nfs/dbraw/zinc/47/79/00/1428477900.db2.gz MGFLUYLSNZBFMR-ROUUACIJSA-N 2 0 335.536 3.068 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCC[NH+]1CCC)CC2 ZINC001732330374 1428537041 /nfs/dbraw/zinc/53/70/41/1428537041.db2.gz WSCJZBRIOKOKRX-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H]1[C@H](C(=O)NCC2([NH2+]CCCC3CCCC3)CCCC2)CC[N@@H+]1C ZINC001732392991 1428561692 /nfs/dbraw/zinc/56/16/92/1428561692.db2.gz XZYZLHBUCFCEMR-IEBWSBKVSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001732424795 1428575518 /nfs/dbraw/zinc/57/55/18/1428575518.db2.gz JTJFYYLCRADUPS-QFBILLFUSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001732433541 1428578844 /nfs/dbraw/zinc/57/88/44/1428578844.db2.gz PTAUFHWQJPHFAA-LVMGUKCRSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001732458939 1428591335 /nfs/dbraw/zinc/59/13/35/1428591335.db2.gz MLZWXWUEKDOPJE-OAHLLOKOSA-N 2 0 347.528 3.178 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCCC(C)(C)C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001732467182 1428596868 /nfs/dbraw/zinc/59/68/68/1428596868.db2.gz SWLOYAGBNXVTOK-ZWKOTPCHSA-N 2 0 339.568 3.418 10 0 EGAERP CC(C)CC[NH2+]C[C@@H](NC(=O)[C@H]1C[NH+]2CCC1CC2)C1CCCCC1 ZINC001732474771 1428601313 /nfs/dbraw/zinc/60/13/13/1428601313.db2.gz WAHFMFZSOXYFKH-VQTJNVASSA-N 2 0 349.563 3.029 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)[C@@H](C)C1 ZINC001732494519 1428616048 /nfs/dbraw/zinc/61/60/48/1428616048.db2.gz JSPHHZQTVVBAOY-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001732497624 1428618913 /nfs/dbraw/zinc/61/89/13/1428618913.db2.gz CGQWTEBNZLAJBP-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CC1CCC(C[NH2+]CC[C@H]2CCCCN2C(=O)CC[NH+](C)C)CC1 ZINC001732513986 1428632743 /nfs/dbraw/zinc/63/27/43/1428632743.db2.gz HEDVZGZMJCNGTD-CTWPCTMYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]Cc1c(C)cccc1C ZINC001699158524 1412542903 /nfs/dbraw/zinc/54/29/03/1412542903.db2.gz FTHLHAZTZXYCAN-ICSRJNTNSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699160578 1412544120 /nfs/dbraw/zinc/54/41/20/1412544120.db2.gz SCYDSDGTBCAZCN-INIZCTEOSA-N 2 0 345.531 3.282 10 0 EGAERP C[C@@H](CC[NH2+]CC1CCCCCC1)NC(=O)CC[NH+]1CCCCC1 ZINC001699162375 1412545846 /nfs/dbraw/zinc/54/58/46/1412545846.db2.gz YHVFRAFWEIJPSD-SFHVURJKSA-N 2 0 337.552 3.317 10 0 EGAERP CC[C@H]([NH2+]CCN(CC)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1)c1ccccc1 ZINC001699186964 1412560217 /nfs/dbraw/zinc/56/02/17/1412560217.db2.gz WDUFTANSFKPWRN-KURKYZTESA-N 2 0 340.471 3.103 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001699188829 1412562121 /nfs/dbraw/zinc/56/21/21/1412562121.db2.gz QZZZPQSANSDDLG-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1=CCCCC1 ZINC001699258636 1412601683 /nfs/dbraw/zinc/60/16/83/1412601683.db2.gz XQGLYTKEFNSTPA-RURPWVQCSA-N 2 0 333.520 3.012 10 0 EGAERP C[C@H](C[N@H+](C)CCC(C)(C)C)NC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001699448312 1412784068 /nfs/dbraw/zinc/78/40/68/1412784068.db2.gz UYFXLVUHDNRZHQ-AEFFLSMTSA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH+](C)Cc1ccc(C)cc1C ZINC001699474178 1412861824 /nfs/dbraw/zinc/86/18/24/1412861824.db2.gz KFWFIXGJIFDIKO-QUCCMNQESA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]CCCN(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)c1 ZINC001699533509 1412909831 /nfs/dbraw/zinc/90/98/31/1412909831.db2.gz LSIZGOWUBYAEIQ-IEBWSBKVSA-N 2 0 345.531 3.144 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001699696107 1413105656 /nfs/dbraw/zinc/10/56/56/1413105656.db2.gz ZMHYLNVOTVCQLN-NRFANRHFSA-N 2 0 349.563 3.245 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001699758118 1413164521 /nfs/dbraw/zinc/16/45/21/1413164521.db2.gz FAJZAIWZYWHQLD-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1 ZINC001699767385 1413172591 /nfs/dbraw/zinc/17/25/91/1413172591.db2.gz QSFPCCOSRHLFCR-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C2CCCC2)CC1 ZINC001699796407 1413205380 /nfs/dbraw/zinc/20/53/80/1413205380.db2.gz MBOOXDNDMYUNDT-IBGZPJMESA-N 2 0 347.547 3.093 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@]2(CC[N@H+](CC3=CCCCC3)C2)C1 ZINC001699804737 1413217392 /nfs/dbraw/zinc/21/73/92/1413217392.db2.gz DWQNFXPGROFMTA-OAQYLSRUSA-N 2 0 347.547 3.143 10 0 EGAERP CCCC[NH2+]C[C@]1(C)CCN(C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001699848468 1413277774 /nfs/dbraw/zinc/27/77/74/1413277774.db2.gz PJFXYZWFSKXQQZ-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@](C)(CNC(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001699876864 1413335551 /nfs/dbraw/zinc/33/55/51/1413335551.db2.gz LAEDTEMYPMXKRF-LAYSSIRVSA-N 2 0 337.552 3.147 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)CC1)[NH+](C)C ZINC001699979758 1413424568 /nfs/dbraw/zinc/42/45/68/1413424568.db2.gz UOBXCYXPMQWIDZ-VAMGGRTRSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)CC[N@H+](C)CCC1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001732548878 1428728398 /nfs/dbraw/zinc/72/83/98/1428728398.db2.gz GYASXFWZBACTNJ-LJQANCHMSA-N 2 0 337.552 3.077 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@H](CC[NH2+]CCCC3CCCC3)C2)C1 ZINC001700085913 1413497336 /nfs/dbraw/zinc/49/73/36/1413497336.db2.gz UCEGPVJXZKIRRD-PMACEKPBSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CCC[NH2+]C1(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)CCC1 ZINC001700142137 1413563408 /nfs/dbraw/zinc/56/34/08/1413563408.db2.gz POBDJTGZYFWGAP-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CCC1([NH2+]CCC2CC2)CCN(C(=O)[C@H]2CCC[N@@H+]2CC(C)C)CC1 ZINC001700220808 1413666829 /nfs/dbraw/zinc/66/68/29/1413666829.db2.gz UUFAEWWOEZWUQS-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C1(C)CCN(C(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001700284461 1413731080 /nfs/dbraw/zinc/73/10/80/1413731080.db2.gz VNQPIRHDFXOBFU-DHJFXDNESA-N 2 0 347.547 3.330 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700289169 1413738405 /nfs/dbraw/zinc/73/84/05/1413738405.db2.gz AJFYHKUHGQVPAA-OVKVCFKUSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CCCC1CCCC1 ZINC001700405624 1413943150 /nfs/dbraw/zinc/94/31/50/1413943150.db2.gz REJWMLDLSVISDD-DLBZAZTESA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C ZINC001700418872 1413966270 /nfs/dbraw/zinc/96/62/70/1413966270.db2.gz UWWWPDKGIZENDC-SJORKVTESA-N 2 0 337.552 3.338 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001700462136 1414063172 /nfs/dbraw/zinc/06/31/72/1414063172.db2.gz CQBDXJJPQNATLU-MRXNPFEDSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)NC1(C[NH2+]C[C@@H]2CC[C@@H]3C[C@@H]3C2)CCCCC1 ZINC001700516107 1414167743 /nfs/dbraw/zinc/16/77/43/1414167743.db2.gz XFSGEELCZZSLSH-QRVBRYPASA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)NC1(C[NH2+]CC2CCCC2)CCCCC1 ZINC001700521564 1414177586 /nfs/dbraw/zinc/17/75/86/1414177586.db2.gz PPPAVACESSHUOD-ROUUACIJSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C[NH2+]Cc2ccc(F)cc2)CCCCC1 ZINC001700522083 1414177990 /nfs/dbraw/zinc/17/79/90/1414177990.db2.gz VHTKBWJOQMYLLJ-UHFFFAOYSA-N 2 0 349.494 3.075 10 0 EGAERP CC1(C)CC(C[N@@H+]2C[C@H](NC(=O)CCC[NH+]3CCCC3)C(C)(C)C2)C1 ZINC001700575698 1414250046 /nfs/dbraw/zinc/25/00/46/1414250046.db2.gz IAEQOLPTZPVHCH-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H]1CC[C@@H]2C[NH+](CCC3CCCC3)C[C@H]2C1 ZINC001700617878 1414285377 /nfs/dbraw/zinc/28/53/77/1414285377.db2.gz UZWVFWSUZZGHGS-VAMGGRTRSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1C[C@H](NC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)C1 ZINC001700644692 1414310032 /nfs/dbraw/zinc/31/00/32/1414310032.db2.gz ZUPWGMBEABQHSI-VJANTYMQSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@@H](CCC[NH2+]CCC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700664409 1414323570 /nfs/dbraw/zinc/32/35/70/1414323570.db2.gz FDCHXLIKVGINGH-PKOBYXMFSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCC([NH+](C)CCC2=CCCCC2)CC1 ZINC001700696626 1414354381 /nfs/dbraw/zinc/35/43/81/1414354381.db2.gz NDLNFVWYYTVRAF-UHFFFAOYSA-N 2 0 335.536 3.142 10 0 EGAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CCCC1CCCC1)C1CC1 ZINC001700724870 1414386220 /nfs/dbraw/zinc/38/62/20/1414386220.db2.gz MUIMXMVUVZIMIP-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCC2=CCCCC2)C[C@@H]1C ZINC001700850016 1414498197 /nfs/dbraw/zinc/49/81/97/1414498197.db2.gz BIRCQXQHOZOPCZ-PKOBYXMFSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CC(C)(C)C2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001700853571 1414500984 /nfs/dbraw/zinc/50/09/84/1414500984.db2.gz KEVHFRFVDADFMQ-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C(=O)N[C@@]12CCC[C@H]1[N@H+](CC1CCCCC1)CC2)[NH+](C)C ZINC001700862939 1414512609 /nfs/dbraw/zinc/51/26/09/1414512609.db2.gz KQZNPBGSPUGUAI-NLWGTHIKSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]12CCC[C@@H]1[NH+](CCC(C)(C)C)CC2 ZINC001700864244 1414514916 /nfs/dbraw/zinc/51/49/16/1414514916.db2.gz DZNAAWRXWSAOAL-LQWHRVPQSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@H+](CCC(=O)N[C@]12CCC[C@H]1[NH+](CC1CC1)CC2)C1CCCCC1 ZINC001700865182 1414516813 /nfs/dbraw/zinc/51/68/13/1414516813.db2.gz JBXJMDCYOYKMOQ-CTNGQTDRSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CC[NH+](C)C)CCC[N@@H+]1CC/C=C\c1ccccc1 ZINC001700880342 1414536279 /nfs/dbraw/zinc/53/62/79/1414536279.db2.gz GMZVGNMLNFSKLU-MMKKUBAISA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)CCC[NH+]2CCCC2)[C@H]1C ZINC001700886681 1414544989 /nfs/dbraw/zinc/54/49/89/1414544989.db2.gz DPBWORIGAKRTFB-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)[C@H]1C ZINC001700888986 1414548282 /nfs/dbraw/zinc/54/82/82/1414548282.db2.gz RYTSPEFEVCMVKW-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CCC[NH+](CC2CC3(CCC3)C2)[C@@H]1C ZINC001700888988 1414548302 /nfs/dbraw/zinc/54/83/02/1414548302.db2.gz RYTSPEFEVCMVKW-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CCC[NH+]2CCCCC2)C1 ZINC001700909111 1414563734 /nfs/dbraw/zinc/56/37/34/1414563734.db2.gz BXRSOYNRNRVCHB-RTBURBONSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1C[C@@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915281 1414568435 /nfs/dbraw/zinc/56/84/35/1414568435.db2.gz CLNHDKDXVDAEHJ-RTBURBONSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001700915279 1414568493 /nfs/dbraw/zinc/56/84/93/1414568493.db2.gz CLNHDKDXVDAEHJ-OALUTQOASA-N 2 0 349.563 3.266 10 0 EGAERP CN(CC[N@H+](C)[C@H]1CCc2ccccc21)C(=O)C[NH+](C)CC(C)(C)C ZINC001732592772 1428819603 /nfs/dbraw/zinc/81/96/03/1428819603.db2.gz OQKZVQNTZNSYKU-IBGZPJMESA-N 2 0 345.531 3.042 10 0 EGAERP CCCC[N@H+](C)CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001700975320 1414608614 /nfs/dbraw/zinc/60/86/14/1414608614.db2.gz MBTZXIAAKIZEGQ-SFHVURJKSA-N 2 0 325.541 3.220 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1c(C)cccc1C)C(C)(C)C)[NH+](C)C ZINC001700998964 1414649954 /nfs/dbraw/zinc/64/99/54/1414649954.db2.gz YPVIKPOXZQZWBY-RTBURBONSA-N 2 0 347.547 3.264 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001701013527 1414675450 /nfs/dbraw/zinc/67/54/50/1414675450.db2.gz OGEPBRABYXGCGK-DVBCCOPCSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CCC(=O)NC/C=C\C[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001732895265 1429033638 /nfs/dbraw/zinc/03/36/38/1429033638.db2.gz PHXOISFNUPJNAH-SREVYHEPSA-N 2 0 337.552 3.053 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1ccccc1F ZINC001732941910 1429066242 /nfs/dbraw/zinc/06/62/42/1429066242.db2.gz HPPZSDOLSFCZBJ-XANICSHESA-N 2 0 347.478 3.023 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)C[NH2+]CC2CCC(C)(C)CC2)CC[N@@H+]1C ZINC001732955427 1429079060 /nfs/dbraw/zinc/07/90/60/1429079060.db2.gz MBJVEZJGMGQZIE-BPQIPLTHSA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]CCC1CCCCCC1 ZINC001732956712 1429080554 /nfs/dbraw/zinc/08/05/54/1429080554.db2.gz LZQUXXAFDUYMKN-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC2CCCCC2)CC1 ZINC001732976847 1429103506 /nfs/dbraw/zinc/10/35/06/1429103506.db2.gz SDLHIEQTOBUTGP-QGZVFWFLSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H](C[N@H+](C)CC1=CCCCC1)NC(=O)c1sccc1C[NH+](C)C ZINC001733036511 1429161541 /nfs/dbraw/zinc/16/15/41/1429161541.db2.gz XNTYPDCCTWKSED-HNNXBMFYSA-N 2 0 349.544 3.360 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)NC[C@H]1C[C@@H]([NH2+]CC=C(C)C)C1)c1ccccc1 ZINC001707078098 1417188385 /nfs/dbraw/zinc/18/83/85/1417188385.db2.gz SQDJHDDSPQZLPZ-SXLOBPIMSA-N 2 0 343.515 3.130 10 0 EGAERP CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001707146047 1417221930 /nfs/dbraw/zinc/22/19/30/1417221930.db2.gz XCFKOJLBGQMUHJ-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]2[C@H](NC(=O)CCC[NH+](C)C)C(C)(C)[C@H]21 ZINC001707182511 1417233110 /nfs/dbraw/zinc/23/31/10/1417233110.db2.gz AYERMIZZMQGXEQ-KAXDNTJYSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1C[C@@H]2[C@@H](C1)[C@@H]1CC[C@H]2C[N@@H+]1CC ZINC001707183120 1417233638 /nfs/dbraw/zinc/23/36/38/1417233638.db2.gz SDYWTIFVMZBSAC-HAGHYFMRSA-N 2 0 349.563 3.077 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H]2CC[NH+](CCCC(C)(C)C)[C@@H]2C)CC[N@@H+]1C ZINC001707248727 1417265768 /nfs/dbraw/zinc/26/57/68/1417265768.db2.gz GMBIFRQFNOWBQE-VSZNYVQBSA-N 2 0 337.552 3.122 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C1CC[NH+](C)CC1 ZINC001707275340 1417281952 /nfs/dbraw/zinc/28/19/52/1417281952.db2.gz NDYMMKDWZRTKRA-YJJPMGAVSA-N 2 0 349.563 3.388 10 0 EGAERP C[NH+](C)CC1(C(=O)NCCC[N@H+](C)CCC(C)(C)C)CCCCC1 ZINC001707393327 1417310387 /nfs/dbraw/zinc/31/03/87/1417310387.db2.gz JDXXPISQXRAVQU-UHFFFAOYSA-N 2 0 339.568 3.373 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CC1=CCCCC1 ZINC001707455186 1417357648 /nfs/dbraw/zinc/35/76/48/1417357648.db2.gz DFMSZWOURMKXTD-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C)C[NH+](C)CCC2=CCCCC2)C1 ZINC001733049768 1429186290 /nfs/dbraw/zinc/18/62/90/1429186290.db2.gz MUUJWENUKUYKGU-UYAOXDASSA-N 2 0 349.563 3.435 10 0 EGAERP CC[C@H](C(=O)NCCC[N@H+](C)[C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001712984148 1417535935 /nfs/dbraw/zinc/53/59/35/1417535935.db2.gz VDNCXTGWTGJDLJ-PKOBYXMFSA-N 2 0 333.520 3.143 10 0 EGAERP CC[C@@H](C)C[N@H+](CC)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001713016774 1417569453 /nfs/dbraw/zinc/56/94/53/1417569453.db2.gz IIGAFOQLJNHTMV-OAHLLOKOSA-N 2 0 330.476 3.131 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[N@H+](CC2=CCCCC2)C2CC2)CC1 ZINC001713046356 1417597243 /nfs/dbraw/zinc/59/72/43/1417597243.db2.gz BERQUPLGHUZQKW-UHFFFAOYSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713084092 1417629173 /nfs/dbraw/zinc/62/91/73/1417629173.db2.gz KZVPEOXMWCWILU-HKUYNNGSSA-N 2 0 349.563 3.410 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001713098710 1417649537 /nfs/dbraw/zinc/64/95/37/1417649537.db2.gz TZSKRSQQQWGVAP-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)C1CC1 ZINC001713112332 1417674916 /nfs/dbraw/zinc/67/49/16/1417674916.db2.gz OPZZJCWABZUSBF-GOSISDBHSA-N 2 0 335.536 3.090 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713135838 1417716165 /nfs/dbraw/zinc/71/61/65/1417716165.db2.gz RRRKHVOZBIYLGB-VQTJNVASSA-N 2 0 349.563 3.079 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713150918 1417731455 /nfs/dbraw/zinc/73/14/55/1417731455.db2.gz SYPLUFRCQQEKTJ-GHOSXJJBSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)C[NH+](C)C2CCC2)C1 ZINC001713181091 1417755465 /nfs/dbraw/zinc/75/54/65/1417755465.db2.gz DEUOXDOCFATPNW-UYAOXDASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H](CNC(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001713217576 1417796118 /nfs/dbraw/zinc/79/61/18/1417796118.db2.gz FLQXVKICQKOXPB-LJQANCHMSA-N 2 0 349.563 3.435 10 0 EGAERP CC1CCC(C[N@@H+]2CCCC[C@@H]2CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713253540 1417847902 /nfs/dbraw/zinc/84/79/02/1417847902.db2.gz SFNRURDDZXVNPW-CTWPCTMYSA-N 2 0 349.563 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CC1=CCCCC1 ZINC001713254226 1417850697 /nfs/dbraw/zinc/85/06/97/1417850697.db2.gz YWSIDRMAOFDZHQ-WOJBJXKFSA-N 2 0 347.547 3.332 10 0 EGAERP CCc1ccc(C[N@@H+]2CCCC[C@@H]2CNC(=O)C[NH+](C)C(C)C)cc1 ZINC001713259606 1417866905 /nfs/dbraw/zinc/86/69/05/1417866905.db2.gz WYWFJQRKDKKMMX-HXUWFJFHSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)[NH+](C)CC(=O)N[C@@H](C)C[N@H+](C)CCC1CCCCCC1 ZINC001733065145 1429218058 /nfs/dbraw/zinc/21/80/58/1429218058.db2.gz GXMPPWKHDIJHJW-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001733073942 1429228930 /nfs/dbraw/zinc/22/89/30/1429228930.db2.gz GYHXEOWWFAAEQG-MSOLQXFVSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)(C(=O)NCCC[C@@H]1CCC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001713436673 1418067493 /nfs/dbraw/zinc/06/74/93/1418067493.db2.gz PYABJECUKXDLTQ-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CCC1=CCCCC1 ZINC001713455822 1418106328 /nfs/dbraw/zinc/10/63/28/1418106328.db2.gz RLHQQUDUWLFTRV-HXUWFJFHSA-N 2 0 347.547 3.332 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CC[C@@H](C)C1)[C@@H](C)c1cc(C)ccc1C ZINC001713492976 1418194584 /nfs/dbraw/zinc/19/45/84/1418194584.db2.gz RPQVNUDHVJYVKP-MJGOQNOKSA-N 2 0 345.531 3.144 10 0 EGAERP C[NH+](C)C1(C(=O)NC[C@@H]2CCC[N@@H+]2CC2CCC3(CC3)CC2)CCC1 ZINC001713508893 1418234255 /nfs/dbraw/zinc/23/42/55/1418234255.db2.gz SMDLWMFCJVEETL-SFHVURJKSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]([NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1ccccc1F ZINC001733105385 1429244019 /nfs/dbraw/zinc/24/40/19/1429244019.db2.gz WNIRWNUAWJYOJA-SJORKVTESA-N 2 0 349.494 3.199 10 0 EGAERP CN(CCC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001733131294 1429255912 /nfs/dbraw/zinc/25/59/12/1429255912.db2.gz QBJXXDCMWISWSR-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]CC1CCC(C(C)(C)C)CC1 ZINC001713657119 1418417337 /nfs/dbraw/zinc/41/73/37/1418417337.db2.gz YMULNHBBVZHZTK-UHFFFAOYSA-N 2 0 339.568 3.229 10 0 EGAERP CC(C)CC[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)C(C)C ZINC001713689847 1418443000 /nfs/dbraw/zinc/44/30/00/1418443000.db2.gz XDRPISPYPKCUCB-OALUTQOASA-N 2 0 337.552 3.266 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001713697088 1418452003 /nfs/dbraw/zinc/45/20/03/1418452003.db2.gz CTZQVNOVPWJRCS-UXHICEINSA-N 2 0 345.531 3.451 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C[N@H+](C)Cc2ccccc2)C1 ZINC001713900892 1418700931 /nfs/dbraw/zinc/70/09/31/1418700931.db2.gz ZDVDMDCHEGYHHL-FQEVSTJZSA-N 2 0 345.531 3.089 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](N(C)C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714001294 1418781490 /nfs/dbraw/zinc/78/14/90/1418781490.db2.gz USZACJFGIJXJQU-SFHVURJKSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)C[C@@H](C)C[N@@H+]1CC[C@@H](N(C)C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001714005434 1418785161 /nfs/dbraw/zinc/78/51/61/1418785161.db2.gz GAJWBZGYERIWLF-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@H](c2ccccc2)N(C)C)C1 ZINC001714048139 1418845191 /nfs/dbraw/zinc/84/51/91/1418845191.db2.gz KRILURXATPIUSW-QUCCMNQESA-N 2 0 343.515 3.084 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186787 1429288500 /nfs/dbraw/zinc/28/85/00/1429288500.db2.gz ZVBSATJJLWDAJZ-QZTJIDSGSA-N 2 0 337.552 3.170 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001714085358 1418879009 /nfs/dbraw/zinc/87/90/09/1418879009.db2.gz UZFONGHZYAOKFW-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)(C)CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001714118480 1418923024 /nfs/dbraw/zinc/92/30/24/1418923024.db2.gz SJLSXUCDXHRASZ-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCc1ccccc1C[N@@H+]1CCCC[C@H]1CNC(=O)C[NH+](C)C(C)C ZINC001714118536 1418923034 /nfs/dbraw/zinc/92/30/34/1418923034.db2.gz ULWXFSSQMIJXID-FQEVSTJZSA-N 2 0 345.531 3.060 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1CC)[NH2+]Cc1cc(C)ccc1C ZINC001714125489 1418930269 /nfs/dbraw/zinc/93/02/69/1418930269.db2.gz WWBYTTCKJBOLQL-WOJBJXKFSA-N 2 0 345.531 3.162 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@H]1CCCCN1C(=O)C12CCC[NH+]1CCC2 ZINC001714130385 1418933754 /nfs/dbraw/zinc/93/37/54/1418933754.db2.gz WVMVZHTXZWELRI-PHWHVTFISA-N 2 0 347.547 3.332 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC2(C[NH2+]C/C=C\Cl)CCCC2)cc1 ZINC001714145223 1418949317 /nfs/dbraw/zinc/94/93/17/1418949317.db2.gz UJNXFJLZBPXNEF-XGICHPGQSA-N 2 0 349.906 3.133 10 0 EGAERP CC[C@@H]1CN(C(=O)CCCC[NH+](C)C)CC[C@@H]1[NH2+]CCC(C)(C)C ZINC001733197661 1429300157 /nfs/dbraw/zinc/30/01/57/1429300157.db2.gz IUOYGFICQAAIBM-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP C[N@H+](CC(=O)N1CCC[C@H](CC[NH2+]CCC(C)(C)C)C1)C1CCC1 ZINC001714211367 1419010669 /nfs/dbraw/zinc/01/06/69/1419010669.db2.gz TYTUOIHGTGJMNX-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H]1CN(C(=O)C[N@H+](C)C(C)C)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001733198857 1429301910 /nfs/dbraw/zinc/30/19/10/1429301910.db2.gz MSIUMSKOADSZDD-MOPGFXCFSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714252967 1419038096 /nfs/dbraw/zinc/03/80/96/1419038096.db2.gz BREDIHDLUGZZGY-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+][C@H](C)CNC(=O)CC[NH+](C)C ZINC001714269710 1419051044 /nfs/dbraw/zinc/05/10/44/1419051044.db2.gz IASIQBJVRHAQIA-QGZVFWFLSA-N 2 0 347.547 3.147 10 0 EGAERP O=C(N1CCC(CC[NH2+]CC2CCCC2)CC1)C12CCC[NH+]1CCC2 ZINC001714271162 1419051878 /nfs/dbraw/zinc/05/18/78/1419051878.db2.gz DTKNVVAMOHITJK-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714350706 1419118414 /nfs/dbraw/zinc/11/84/14/1419118414.db2.gz AZKOFGAJHRFELZ-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714361599 1419122799 /nfs/dbraw/zinc/12/27/99/1419122799.db2.gz KYRJDJHTSXDSKN-QUCCMNQESA-N 2 0 347.547 3.188 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CC1CCC2(CC2)CC1 ZINC001714395611 1419141656 /nfs/dbraw/zinc/14/16/56/1419141656.db2.gz DZNMEXLQNMOZRT-HKUYNNGSSA-N 2 0 349.563 3.173 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001714410574 1419149855 /nfs/dbraw/zinc/14/98/55/1419149855.db2.gz GWAHOTSOCYZULM-LSLCWXNRSA-N 2 0 335.536 3.092 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@@H]1CCC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001714417780 1419154680 /nfs/dbraw/zinc/15/46/80/1419154680.db2.gz QGDOODZRXXSWJX-RTBURBONSA-N 2 0 335.536 3.070 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCC[C@H]([NH2+]C/C=C/c2ccccc2)C1 ZINC001714417835 1419154789 /nfs/dbraw/zinc/15/47/89/1419154789.db2.gz RBCFYCFNIVZNJC-RHYMJRRZSA-N 2 0 343.515 3.057 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714418031 1419155119 /nfs/dbraw/zinc/15/51/19/1419155119.db2.gz UHERHLGXCXGFHQ-RBUKOAKNSA-N 2 0 331.504 3.179 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001714439737 1419171010 /nfs/dbraw/zinc/17/10/10/1419171010.db2.gz YEIBVFSZVXJSOA-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H](CCNC(=O)C[N@@H+]1CC[C@@H](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001714489360 1419212846 /nfs/dbraw/zinc/21/28/46/1419212846.db2.gz KJXGCSTXGMSFCR-IAGOWNOFSA-N 2 0 337.552 3.029 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]CCC2CCCCC2)CCCC1)C1CCC1 ZINC001714497428 1419221585 /nfs/dbraw/zinc/22/15/85/1419221585.db2.gz SRPBRLCBSYWWII-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CC[C@H](C(=O)NCC1([NH2+]CCCC(C)(C)C)CCCC1)[NH+](C)C ZINC001714510435 1419237949 /nfs/dbraw/zinc/23/79/49/1419237949.db2.gz ZQXJXUUFMDMYIX-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCCC[C@@H]1CCC[NH+]1CC1CCC1 ZINC001714520176 1419246085 /nfs/dbraw/zinc/24/60/85/1419246085.db2.gz KCONHNWFFHQPKC-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001714571307 1419303102 /nfs/dbraw/zinc/30/31/02/1419303102.db2.gz BTKHUTBIKRBBKX-VQTJNVASSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@@H](C)c1ccc(C(C)C)cc1 ZINC001714598867 1419353788 /nfs/dbraw/zinc/35/37/88/1419353788.db2.gz ICKHRDKLDJOBHQ-SFHVURJKSA-N 2 0 345.531 3.405 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@H]1CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001714652055 1419429793 /nfs/dbraw/zinc/42/97/93/1419429793.db2.gz ZQTSCMUOKWUMEA-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP CC(C)=CC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@H+]1C(C)C)c1ccccc1 ZINC001714838328 1419550672 /nfs/dbraw/zinc/55/06/72/1419550672.db2.gz ZKNFHBLZAGKBSA-UXHICEINSA-N 2 0 343.515 3.273 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](CCNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714862426 1419585295 /nfs/dbraw/zinc/58/52/95/1419585295.db2.gz GMMIAXXANPXEOM-UEKDZROGSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC[C@@H]1CC[NH+](CC2CC(C)(C)C2)C1 ZINC001714862530 1419586212 /nfs/dbraw/zinc/58/62/12/1419586212.db2.gz BOQWUTFKMJQBCF-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@@H+]2CC(C)C)C1 ZINC001714917155 1419668829 /nfs/dbraw/zinc/66/88/29/1419668829.db2.gz TVHNREVCOVSPHG-ZBWOGFRMSA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001733225348 1429350746 /nfs/dbraw/zinc/35/07/46/1429350746.db2.gz GWSAXSUTQKZXAD-KAGICYHLSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C1CCCCC1 ZINC001714977963 1419712677 /nfs/dbraw/zinc/71/26/77/1419712677.db2.gz PIGZGTZACHEWBT-UNQUKWGNSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)CC[C@@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001714980309 1419714688 /nfs/dbraw/zinc/71/46/88/1419714688.db2.gz VBOXVIIYJQYDGY-VQTJNVASSA-N 2 0 349.563 3.482 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)C1CCCCC1 ZINC001714996275 1419728592 /nfs/dbraw/zinc/72/85/92/1419728592.db2.gz DPSPQHXZTKJWIX-FQEVSTJZSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001715018573 1419748203 /nfs/dbraw/zinc/74/82/03/1419748203.db2.gz IAMIDCICVRQIIP-OALUTQOASA-N 2 0 337.552 3.220 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001715028255 1419760485 /nfs/dbraw/zinc/76/04/85/1419760485.db2.gz CELINIFZUVISJK-RLFQVEEXSA-N 2 0 349.563 3.386 10 0 EGAERP Cc1cccc([C@@H](C)[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)c1 ZINC001715121715 1419866534 /nfs/dbraw/zinc/86/65/34/1419866534.db2.gz BGYXEQIQBRZUBK-DYESRHJHSA-N 2 0 345.531 3.271 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@](C)(NC(=O)C[N@@H+](C)C(C)C)C2CC2)c(C)c1 ZINC001715124909 1419870815 /nfs/dbraw/zinc/87/08/15/1419870815.db2.gz NSXSDPPEOUMGDC-OAQYLSRUSA-N 2 0 345.531 3.018 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001715161002 1419902568 /nfs/dbraw/zinc/90/25/68/1419902568.db2.gz LQIJLCSYQZSKAA-RBUKOAKNSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[C@@H]3CCC[N@@H+]32)CC1 ZINC001715175868 1419911283 /nfs/dbraw/zinc/91/12/83/1419911283.db2.gz KHVJUVHUHOBZJT-UXHICEINSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H]([NH2+][C@H]1CC[C@H](NC(=O)C[N@H+](C)C(C)C)CC1)c1ccccc1 ZINC001715192179 1419924103 /nfs/dbraw/zinc/92/41/03/1419924103.db2.gz XFJFCQPJSPAWDL-VAMGGRTRSA-N 2 0 345.531 3.495 10 0 EGAERP CC(C)=CC[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001715192685 1419924762 /nfs/dbraw/zinc/92/47/62/1419924762.db2.gz WPNXJDXMETYFEM-RBUKOAKNSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@H]1CCCC[NH+]1C)CC2 ZINC001715216799 1419949378 /nfs/dbraw/zinc/94/93/78/1419949378.db2.gz MDNQUWNLIAUHOO-LJQANCHMSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)=CC[NH2+]C1(CNC(=O)[C@@H]2CCC[N@H+]2CC(C)C)CCCC1 ZINC001715302069 1420010043 /nfs/dbraw/zinc/01/00/43/1420010043.db2.gz KRMMNNOSDQBWBD-SFHVURJKSA-N 2 0 335.536 3.092 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)[C@@H]2CCC[N@@H+]2CC(C)C)CCCC1 ZINC001715303783 1420012334 /nfs/dbraw/zinc/01/23/34/1420012334.db2.gz SJYMMPVMNQVMAN-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715313769 1420023104 /nfs/dbraw/zinc/02/31/04/1420023104.db2.gz JIEBNVKFDZSPEX-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715333207 1420038487 /nfs/dbraw/zinc/03/84/87/1420038487.db2.gz UDNIACHQQBBNFT-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001715342639 1420045373 /nfs/dbraw/zinc/04/53/73/1420045373.db2.gz ZXWOTFUMLRCRKE-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001715353866 1420053839 /nfs/dbraw/zinc/05/38/39/1420053839.db2.gz KQGJOKFICOIIPC-MSOLQXFVSA-N 2 0 345.531 3.367 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@H]3CCC[N@@H+]3C3CCCC3)CC2)C1 ZINC001733248764 1429395447 /nfs/dbraw/zinc/39/54/47/1429395447.db2.gz DAXQADSDCSKGIU-GOSISDBHSA-N 2 0 347.547 3.068 10 0 EGAERP Cc1cc(C)cc(C[NH2+]C[C@H](CC(C)C)NC(=O)C[NH+]2CCCC2)c1 ZINC001715392557 1420089883 /nfs/dbraw/zinc/08/98/83/1420089883.db2.gz MPRYVTDMYMQJMU-FQEVSTJZSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]Cc1ccccc1)C1CCCCC1)[NH+](C)C ZINC001715399905 1420098174 /nfs/dbraw/zinc/09/81/74/1420098174.db2.gz KLHXHIXCLVORRV-WOJBJXKFSA-N 2 0 345.531 3.182 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H](NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CCCCC1 ZINC001715402785 1420101599 /nfs/dbraw/zinc/10/15/99/1420101599.db2.gz XFJGCXVSHPRHTA-NKKNLYITSA-N 2 0 349.563 3.338 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001715403572 1420102540 /nfs/dbraw/zinc/10/25/40/1420102540.db2.gz RPNVODXOOHIGFA-IEBWSBKVSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@H+](CC(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccsc1)C1CCC1 ZINC001715436972 1420122907 /nfs/dbraw/zinc/12/29/07/1420122907.db2.gz WDQCFDIQZUUATG-SFHVURJKSA-N 2 0 349.544 3.093 10 0 EGAERP C[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)[C@@H]1C[NH2+]CCC1CCCC1 ZINC001715469165 1420147993 /nfs/dbraw/zinc/14/79/93/1420147993.db2.gz DRVOPHUTGPQNDF-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CCC(CC[NH+](C)CC=C(C)C)CC2)CC[N@@H+]1C ZINC001715482543 1420161472 /nfs/dbraw/zinc/16/14/72/1420161472.db2.gz NIEUWEGPJOJLCQ-VQTJNVASSA-N 2 0 349.563 3.243 10 0 EGAERP CC(C)[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH2+]CC1CCC1 ZINC001715494520 1420175957 /nfs/dbraw/zinc/17/59/57/1420175957.db2.gz MVZHONHZWKWOSK-ICSRJNTNSA-N 2 0 349.563 3.172 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NC[C@@H]([NH2+]CCC2CCCC2)C(C)C)CC[N@@H+]1C ZINC001715555771 1420250303 /nfs/dbraw/zinc/25/03/03/1420250303.db2.gz GKMGUUWJBAGCSR-IPMKNSEASA-N 2 0 337.552 3.027 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC[NH2+]CC2CCCCC2)C1 ZINC001715752041 1420324995 /nfs/dbraw/zinc/32/49/95/1420324995.db2.gz KRCLZOPFISKXJO-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H](C(=O)N(CC)CC[NH2+][C@@H](C)c1cc(C)ccc1C)[NH+](C)C ZINC001715757315 1420328586 /nfs/dbraw/zinc/32/85/86/1420328586.db2.gz KIZYEDWXHXHDPA-HKUYNNGSSA-N 2 0 333.520 3.143 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(C)cc1)C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC001715766263 1420332484 /nfs/dbraw/zinc/33/24/84/1420332484.db2.gz DSOPSXCULDRFJD-UXHICEINSA-N 2 0 345.531 3.054 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1=CCCCC1)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001715828373 1420358980 /nfs/dbraw/zinc/35/89/80/1420358980.db2.gz RZQHXRYDLKJLKM-PXDRNWIDSA-N 2 0 345.531 3.156 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C/C=C/CNC(=O)CC[NH+]1CCCCC1 ZINC001715911664 1420394062 /nfs/dbraw/zinc/39/40/62/1420394062.db2.gz JFKRKRFSLOGTEY-GHOSXJJBSA-N 2 0 343.515 3.194 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001715953387 1420419569 /nfs/dbraw/zinc/41/95/69/1420419569.db2.gz UCGCHFZNKYGBEG-QGZVFWFLSA-N 2 0 335.536 3.092 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001715954563 1420420487 /nfs/dbraw/zinc/42/04/87/1420420487.db2.gz UVABEXLPHSPXAS-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]CC1CCC(C)(C)CC1 ZINC001715979659 1420438882 /nfs/dbraw/zinc/43/88/82/1420438882.db2.gz SAKAQOHCXZMPAU-FUHWJXTLSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001715984162 1420443068 /nfs/dbraw/zinc/44/30/68/1420443068.db2.gz BFINWJJPSUBNEK-IRXDYDNUSA-N 2 0 331.504 3.025 10 0 EGAERP CCc1cccc(C[N@H+](C)C[C@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)c1 ZINC001716025857 1420482833 /nfs/dbraw/zinc/48/28/33/1420482833.db2.gz PQYRAXSNJSGZFM-PXNSSMCTSA-N 2 0 345.531 3.060 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]2CN(C(=O)C3([NH+](C)C)CCC3)CC[C@@H]21 ZINC001716048806 1420512456 /nfs/dbraw/zinc/51/24/56/1420512456.db2.gz FQCOAYOKHOIRDJ-MGBKSAOESA-N 2 0 347.547 3.140 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@H](C)CC[NH2+]CC1CCC2(CC2)CC1 ZINC001716138532 1420538759 /nfs/dbraw/zinc/53/87/59/1420538759.db2.gz HGTLQLLDNPNQBF-MJGOQNOKSA-N 2 0 349.563 3.314 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1CCCC1)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716336577 1420608538 /nfs/dbraw/zinc/60/85/38/1420608538.db2.gz IPNNNEWAGMGQIX-PXDRNWIDSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)[C@@H](C(=O)NC/C=C\C[NH2+]CC1CCCCCC1)[NH+]1CCCC1 ZINC001716377947 1420624123 /nfs/dbraw/zinc/62/41/23/1420624123.db2.gz DBGDEZDEMOFUCL-AQWUKCDYSA-N 2 0 349.563 3.339 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C)NC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001716407591 1420639204 /nfs/dbraw/zinc/63/92/04/1420639204.db2.gz RQABPEJPHCQIFD-SJLPKXTDSA-N 2 0 331.504 3.106 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)C[N@H+](C)CC(C)(C)C)c1 ZINC001716452697 1420668366 /nfs/dbraw/zinc/66/83/66/1420668366.db2.gz NFYSPVBYYOYALV-ROUUACIJSA-N 2 0 347.547 3.437 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@H]1[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001733269922 1429431285 /nfs/dbraw/zinc/43/12/85/1429431285.db2.gz SYKXXWAYWACSBJ-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001716515310 1420745009 /nfs/dbraw/zinc/74/50/09/1420745009.db2.gz IOBXQDWAAYDVSE-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001716519932 1420748555 /nfs/dbraw/zinc/74/85/55/1420748555.db2.gz IERSYLRPELXVAN-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)CCC)C1 ZINC001733269554 1429430907 /nfs/dbraw/zinc/43/09/07/1429430907.db2.gz PGHGLCVHBIYRMP-OALUTQOASA-N 2 0 337.552 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1 ZINC001716651386 1420804791 /nfs/dbraw/zinc/80/47/91/1420804791.db2.gz SGUCERPPOAKRPA-QUOWSDGJSA-N 2 0 347.547 3.188 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@@H]1CC[NH+]1CC1CCC(C)(C)CC1 ZINC001716653114 1420805866 /nfs/dbraw/zinc/80/58/66/1420805866.db2.gz BAZDPFDCOKMQGS-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001716706398 1420860788 /nfs/dbraw/zinc/86/07/88/1420860788.db2.gz OPQNACZFAMQKBH-RTBURBONSA-N 2 0 349.563 3.077 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@]2(CCN(C(=O)C[NH+](C)CCC)C2)C1 ZINC001716723327 1420881009 /nfs/dbraw/zinc/88/10/09/1420881009.db2.gz DSLXCDVVLTWHAR-FQEVSTJZSA-N 2 0 337.552 3.223 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)CCN1C(=O)CC[NH+](C)C ZINC001716763159 1420909742 /nfs/dbraw/zinc/90/97/42/1420909742.db2.gz GAOSFALQIIECHN-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](CC3CC3)CC2)[C@@H](C)C1 ZINC001716768012 1420913309 /nfs/dbraw/zinc/91/33/09/1420913309.db2.gz SQPROHMCUXPSFL-PXNSSMCTSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001716780406 1420919000 /nfs/dbraw/zinc/91/90/00/1420919000.db2.gz SGHCKIAWIHRIRZ-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C)CC[NH+](CC2CCC(C)CC2)CC1 ZINC001716799278 1420932106 /nfs/dbraw/zinc/93/21/06/1420932106.db2.gz BRFJHPDTBXNTSV-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]C[C@H](NC(=O)c1ccc(C[NH+](C)C)cc1)C1CCCC1 ZINC001716822630 1420948797 /nfs/dbraw/zinc/94/87/97/1420948797.db2.gz AHVUULUZEMLBPE-IBGZPJMESA-N 2 0 331.504 3.036 10 0 EGAERP CCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CCC[NH+]1CCCCC1)C2 ZINC001716830037 1420957139 /nfs/dbraw/zinc/95/71/39/1420957139.db2.gz HVICZZYYBQPLBP-NRFANRHFSA-N 2 0 349.563 3.367 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C)CC[NH+](CC3CCC(C)(C)CC3)C2)C1 ZINC001716848375 1420976790 /nfs/dbraw/zinc/97/67/90/1420976790.db2.gz BZTJGDNIPBBRGJ-DYESRHJHSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C[N@H+]2CC[C@@](C)(NC(=O)CCCC[NH+](C)C)C2)c(C)c1 ZINC001716850534 1420980699 /nfs/dbraw/zinc/98/06/99/1420980699.db2.gz NXVBQLFRLOWFJL-OAQYLSRUSA-N 2 0 345.531 3.116 10 0 EGAERP CC/C=C\CC[NH+]1CCC(C)(CNC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001716887311 1421010927 /nfs/dbraw/zinc/01/09/27/1421010927.db2.gz IJRWBZLLAUTTEK-CNZFZVQHSA-N 2 0 337.552 3.147 10 0 EGAERP CC(C)CCC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001716889223 1421012823 /nfs/dbraw/zinc/01/28/23/1421012823.db2.gz BFVLBZCKDNKBFF-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)=CC[NH+]1CCC(C)(CNC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001716889388 1421013298 /nfs/dbraw/zinc/01/32/98/1421013298.db2.gz HZTMYEZMHLEKTA-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@]2(C)CCC[NH+](CCC3CCCC3)C2)C1 ZINC001716901460 1421032705 /nfs/dbraw/zinc/03/27/05/1421032705.db2.gz IRCILQDAWGUZMT-FPOVZHCZSA-N 2 0 349.563 3.127 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[NH+](CCCC1CCCC1)C2 ZINC001716951907 1421048194 /nfs/dbraw/zinc/04/81/94/1421048194.db2.gz QSKCHSDONASCFK-ZCNNSNEGSA-N 2 0 349.563 3.268 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)C[NH+]1CCC(C)CC1)[NH2+]C(C)C ZINC001716956389 1421051202 /nfs/dbraw/zinc/05/12/02/1421051202.db2.gz ZXXVEWDEFWERAO-HXUWFJFHSA-N 2 0 345.531 3.136 10 0 EGAERP CC/C=C\CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[NH+]1CC[C@@H](C)C1)C2 ZINC001716999391 1421069073 /nfs/dbraw/zinc/06/90/73/1421069073.db2.gz CDHFHFKMSMOVGQ-ZESFDBNRSA-N 2 0 347.547 3.044 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C1CC[NH+](C)CC1 ZINC001717036660 1421090638 /nfs/dbraw/zinc/09/06/38/1421090638.db2.gz VEEKONPMMLKMOO-IHPCNDPISA-N 2 0 349.563 3.076 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717038792 1421092912 /nfs/dbraw/zinc/09/29/12/1421092912.db2.gz RJPNXFKLQQFOCF-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)CCCC[NH+]1CCCC1 ZINC001717038790 1421093061 /nfs/dbraw/zinc/09/30/61/1421093061.db2.gz RJPNXFKLQQFOCF-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CCC[NH+]3C(C)C)[C@@H]2C1 ZINC001717041374 1421095307 /nfs/dbraw/zinc/09/53/07/1421095307.db2.gz FVOQSTPSUSTICM-PTWHKANQSA-N 2 0 347.547 3.138 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1CCC[N@H+](Cc2ccsc2)CC1 ZINC001717201812 1421169658 /nfs/dbraw/zinc/16/96/58/1421169658.db2.gz HYFDENNEEJTSMS-SFHVURJKSA-N 2 0 349.544 3.095 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCCCCC2CC[NH+](CC3CCC3)CC2)C1 ZINC001717242511 1421211247 /nfs/dbraw/zinc/21/12/47/1421211247.db2.gz CNMLGNYAKAKWIL-HXUWFJFHSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCCC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)C[C@@H]1C ZINC001717293708 1421239144 /nfs/dbraw/zinc/23/91/44/1421239144.db2.gz RFJLILOCQDLCSD-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001717297407 1421240942 /nfs/dbraw/zinc/24/09/42/1421240942.db2.gz SMDQNYKXOHYNFN-UHFFFAOYSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CC2)C(C)(C)C1 ZINC001717310995 1421254820 /nfs/dbraw/zinc/25/48/20/1421254820.db2.gz RBGUJHLEQOAXFV-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)C[NH+](C)C2CCC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717332691 1421267998 /nfs/dbraw/zinc/26/79/98/1421267998.db2.gz YKBHXPHICVZCMH-HKUYNNGSSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001717334952 1421271940 /nfs/dbraw/zinc/27/19/40/1421271940.db2.gz BRWIODQWCYNTPA-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccccc1C[NH+](C)[C@@H](C)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001717473614 1421406665 /nfs/dbraw/zinc/40/66/65/1421406665.db2.gz URMVZELEAYGKMT-SQGPQFPESA-N 2 0 345.531 3.087 10 0 EGAERP C[C@H](C(=O)NC[C@H](C)[N@H+](C)CCC1CCCC1)[NH+]1CCCCCC1 ZINC001717491166 1421430365 /nfs/dbraw/zinc/43/03/65/1421430365.db2.gz VJSYZCVYUSCJTN-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N[C@H](C)C1C[NH+](CCC(C)C)C1)c1ccccc1 ZINC001717560503 1421496511 /nfs/dbraw/zinc/49/65/11/1421496511.db2.gz SGRNCPGAQYRDNV-XLIONFOSSA-N 2 0 345.531 3.162 10 0 EGAERP CC1CC(C[N@@H+]2C[C@@H](NC(=O)CCCC[NH+]3CCCC3)C(C)(C)C2)C1 ZINC001717590296 1421519249 /nfs/dbraw/zinc/51/92/49/1421519249.db2.gz XMUHVQCGKMVULR-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH+]1CC(N(C)C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001733309628 1429493171 /nfs/dbraw/zinc/49/31/71/1429493171.db2.gz ZQFWUYGBBXNYSI-UHFFFAOYSA-N 2 0 337.552 3.220 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001717840265 1421654974 /nfs/dbraw/zinc/65/49/74/1421654974.db2.gz HDRWJCBOHJMFDF-QUCCMNQESA-N 2 0 335.536 3.166 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CCC[N@@H+]1CCC(C)(C)C ZINC001717857106 1421669248 /nfs/dbraw/zinc/66/92/48/1421669248.db2.gz CPAUMBQURUZBIR-SJORKVTESA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C[NH+]2CCC(C)CC2)[C@@H]1C ZINC001717858748 1421671509 /nfs/dbraw/zinc/67/15/09/1421671509.db2.gz YELDPZIKDHSBOJ-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]([NH2+]CCCC2CCC2)C(C)(C)C1 ZINC001717906670 1421701821 /nfs/dbraw/zinc/70/18/21/1421701821.db2.gz ZJHBYYLDDQSSDJ-MOPGFXCFSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cccc(C[NH2+]C[C@@H](NC(=O)[C@@H]2CCCC[N@H+]2C)C(C)(C)C)c1 ZINC001717963124 1421734431 /nfs/dbraw/zinc/73/44/31/1421734431.db2.gz OZDSEGILHKMCSG-RBUKOAKNSA-N 2 0 345.531 3.100 10 0 EGAERP CC/C=C/CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001717995211 1421763245 /nfs/dbraw/zinc/76/32/45/1421763245.db2.gz IZUWSAFZXFHUGQ-WRIWHACHSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@H](C(=O)NCC1=CC[N@@H+]([C@H](C)c2ccccc2C)CC1)[NH+](C)C ZINC001718031284 1421783692 /nfs/dbraw/zinc/78/36/92/1421783692.db2.gz OOQNJPWCIVFKMZ-YLJYHZDGSA-N 2 0 343.515 3.145 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC1(C)CC[NH+](CC2CCC3(CC3)CC2)CC1 ZINC001733362526 1429547642 /nfs/dbraw/zinc/54/76/42/1429547642.db2.gz VKIKVICBZSSNEC-UHFFFAOYSA-N 2 0 349.563 3.268 10 0 EGAERP CC1CCC(C[NH2+]C[C@]2(C)CCN(C(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001733427175 1429634384 /nfs/dbraw/zinc/63/43/84/1429634384.db2.gz NLEZNBJCIIICDG-QLOJAFMTSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@]1(C)CCN(C(=O)CCCC[NH+](C)C)C1 ZINC001733441399 1429649391 /nfs/dbraw/zinc/64/93/91/1429649391.db2.gz PTUGTWAGEKWWIX-OAQYLSRUSA-N 2 0 345.531 3.055 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCCCC2)C1 ZINC001733442730 1429651157 /nfs/dbraw/zinc/65/11/57/1429651157.db2.gz YVIXGIJFKDYBGS-FQEVSTJZSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)(C)CC[NH+]1CCC(C)(CNC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001733453697 1429667831 /nfs/dbraw/zinc/66/78/31/1429667831.db2.gz RDESNUQJNVOKKZ-NRFANRHFSA-N 2 0 349.563 3.127 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)NC[C@]1(C)CCC[NH+](CC2CC2)C1 ZINC001733463031 1429691868 /nfs/dbraw/zinc/69/18/68/1429691868.db2.gz OQVQRIBVYSVNJC-NRFANRHFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@@H](C)NC(=O)C[NH+](C)C(C)C ZINC001722916724 1424254315 /nfs/dbraw/zinc/25/43/15/1424254315.db2.gz OBQGEIJFOBWZFS-CRAIPNDOSA-N 2 0 337.483 3.054 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1CC2(CCC2)C1 ZINC001722951174 1424273721 /nfs/dbraw/zinc/27/37/21/1424273721.db2.gz BJIQWRGJFAWXGD-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001723310315 1424344260 /nfs/dbraw/zinc/34/42/60/1424344260.db2.gz CDNFUPGBLSBKIA-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC(C)(C)C)C3)CCC1 ZINC001733517159 1429726889 /nfs/dbraw/zinc/72/68/89/1429726889.db2.gz XSJUANLODIGEOQ-BZSNNMDCSA-N 2 0 349.563 3.266 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001723568493 1424467835 /nfs/dbraw/zinc/46/78/35/1424467835.db2.gz ITWYPQXVMRPTQY-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1C[C@H]2C[C@@H](C1)[N@H+](CC1CCCCC1)C2 ZINC001733519072 1429729231 /nfs/dbraw/zinc/72/92/31/1429729231.db2.gz WEKISGBIPZSXAW-ZCNNSNEGSA-N 2 0 349.563 3.268 10 0 EGAERP CCCC[N@@H+]1CC[C@H](C2CCN(C(=O)CCCC[NH+](C)C)CC2)C1 ZINC001723609682 1424491906 /nfs/dbraw/zinc/49/19/06/1424491906.db2.gz QDTDXSRRJPSGEZ-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP Cc1c(C(=O)N2CC[C@@H]([NH2+]CCC(C)C)C[C@H]2C)ccc2c[nH+]cn21 ZINC001723858914 1424587293 /nfs/dbraw/zinc/58/72/93/1424587293.db2.gz OZSSGYZIELFDNB-NVXWUHKLSA-N 2 0 342.487 3.272 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@H](CC)[NH+](C)C)C2 ZINC001724125303 1424676404 /nfs/dbraw/zinc/67/64/04/1424676404.db2.gz CMLLDPJDOQEGBS-AHHPOWTJSA-N 2 0 349.563 3.388 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001724154154 1424695861 /nfs/dbraw/zinc/69/58/61/1424695861.db2.gz MEMQZAREXTYXST-LGYYHMKYSA-N 2 0 335.536 3.186 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@]1(C)CC[NH+](CCCC2CCC2)C1 ZINC001724162184 1424698017 /nfs/dbraw/zinc/69/80/17/1424698017.db2.gz NHDBNLBQFAXWRP-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CC[C@@](C)(NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001724164278 1424701130 /nfs/dbraw/zinc/70/11/30/1424701130.db2.gz YQFWHSLDBOTWAY-LJQANCHMSA-N 2 0 328.460 3.027 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2C[C@H](C)[C@H](C[NH2+]CC(C)C)C2)o1 ZINC001733557967 1429756110 /nfs/dbraw/zinc/75/61/10/1429756110.db2.gz GBVFOASLHMLHQI-DLBZAZTESA-N 2 0 349.519 3.075 10 0 EGAERP C[C@@H]([NH2+]CCC1CCCC1)[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724541136 1424902562 /nfs/dbraw/zinc/90/25/62/1424902562.db2.gz VBBDYUGRALWENJ-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH2+][C@H](C)[C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724552857 1424908890 /nfs/dbraw/zinc/90/88/90/1424908890.db2.gz YLJGNLKQIYHWJJ-XLIONFOSSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CC[C@H]1CCC[NH+]1C ZINC001724654883 1425018742 /nfs/dbraw/zinc/01/87/42/1425018742.db2.gz UBUYBNSJXHEORI-HSALFYBXSA-N 2 0 349.563 3.362 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@H]1CCC[NH+]1C(C)C ZINC001724657524 1425024346 /nfs/dbraw/zinc/02/43/46/1425024346.db2.gz ZEDCUYIIVVBVPD-CSSZIBPHSA-N 2 0 347.547 3.281 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001724659459 1425033240 /nfs/dbraw/zinc/03/32/40/1425033240.db2.gz YUPWOLYVLWZDEV-OAOPFVHKSA-N 2 0 347.547 3.140 10 0 EGAERP CC1CC[NH+](CC(=O)N2CC[C@H](CC[NH2+]CCC3CCCC3)C2)CC1 ZINC001724727942 1425080292 /nfs/dbraw/zinc/08/02/92/1425080292.db2.gz JWAXXTFPVSOUEJ-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001724754904 1425125548 /nfs/dbraw/zinc/12/55/48/1425125548.db2.gz LIWHWXAUAXNZAJ-FHWLQOOXSA-N 2 0 337.552 3.172 10 0 EGAERP CCC1([NH2+]CCC(C)(C)C)CCN(C(=O)C[N@H+](C)C(C)C)CC1 ZINC001724891128 1425278251 /nfs/dbraw/zinc/27/82/51/1425278251.db2.gz LBVNMSGKGGOESR-UHFFFAOYSA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CC)CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001724891999 1425279506 /nfs/dbraw/zinc/27/95/06/1425279506.db2.gz YOLWSDGPQBPTMY-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)C2 ZINC001724895609 1425286507 /nfs/dbraw/zinc/28/65/07/1425286507.db2.gz NPQMKCUICGNYFX-FPOVZHCZSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C(C)(C)C1 ZINC001724964529 1425354528 /nfs/dbraw/zinc/35/45/28/1425354528.db2.gz BGNCFHFTPAXFRU-FIPRUFKKSA-N 2 0 349.563 3.290 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)C[C@@H]1C ZINC001724991292 1425395104 /nfs/dbraw/zinc/39/51/04/1425395104.db2.gz CDERVXADWFBNED-XZJTZLQGSA-N 2 0 335.536 3.044 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CCC3CC3)C2)C1 ZINC001725054906 1425489242 /nfs/dbraw/zinc/48/92/42/1425489242.db2.gz BHHRUDIPOXLFIR-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)cc1 ZINC001725097041 1425541302 /nfs/dbraw/zinc/54/13/02/1425541302.db2.gz UDRVRKDGVOHKQP-QZTJIDSGSA-N 2 0 345.531 3.242 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1)[C@H](C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001725132979 1425604131 /nfs/dbraw/zinc/60/41/31/1425604131.db2.gz XMGHAXUVQYVEJP-SJORKVTESA-N 2 0 339.483 3.045 10 0 EGAERP C[C@@H]([NH2+]CC1(NC(=O)CC[NH+](C)C)CCCCC1)c1cccc(F)c1 ZINC001725228233 1425798554 /nfs/dbraw/zinc/79/85/54/1425798554.db2.gz SCXLFIZETKAIRP-MRXNPFEDSA-N 2 0 349.494 3.247 10 0 EGAERP C[C@H](C(=O)NC1(C[NH2+]CCCF)CCCCC1)[NH+]1CCCCCC1 ZINC001725229141 1425800039 /nfs/dbraw/zinc/80/00/39/1425800039.db2.gz MKYWMWRUVKILFX-QGZVFWFLSA-N 2 0 341.515 3.019 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC[C@H]1CCCCC[N@@H+]1CC1CCCC1 ZINC001725240598 1425843626 /nfs/dbraw/zinc/84/36/26/1425843626.db2.gz MUXFQOBPKVRAHW-HXUWFJFHSA-N 2 0 349.563 3.413 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C1C[NH+](CCCC(C)(C)C)C1 ZINC001725247377 1425866343 /nfs/dbraw/zinc/86/63/43/1425866343.db2.gz IMUFGYQUHDZQRW-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[N@@H+]1CCCC2(CN(C(=O)CC[C@@H]3CCC[NH+]3C)C2)C1 ZINC001725339399 1425987771 /nfs/dbraw/zinc/98/77/71/1425987771.db2.gz UXJWCBLGNNNEEE-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)C[NH2+]C[C@@H](C1CC1)N(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001725451936 1426117464 /nfs/dbraw/zinc/11/74/64/1426117464.db2.gz JUUODAOYHAUZLE-QUCCMNQESA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccccc1)[NH+]1CCCCC1 ZINC001725519152 1426210606 /nfs/dbraw/zinc/21/06/06/1426210606.db2.gz AMDBNQYVSSQYBJ-QUCCMNQESA-N 2 0 345.531 3.134 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCC2)CN1C(=O)CC[N@H+](C)C1CCCCC1 ZINC001725579688 1426235797 /nfs/dbraw/zinc/23/57/97/1426235797.db2.gz CHICBDTVNSHCOR-MJGOQNOKSA-N 2 0 349.563 3.410 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+][C@H](C)c2ccccc2F)C(C)(C)C1 ZINC001725680141 1426367864 /nfs/dbraw/zinc/36/78/64/1426367864.db2.gz MLRPUFSBOLIWIJ-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1cccc(F)c1)C(=O)C[NH+]1CCCC1 ZINC001725732690 1426404594 /nfs/dbraw/zinc/40/45/94/1426404594.db2.gz KZTUFSAAVWSJOE-KRWDZBQOSA-N 2 0 349.494 3.151 10 0 EGAERP C[C@H](NC(=O)CC[C@H]1CCC[N@@H+]1C)C1CC[NH+](CC2CCCC2)CC1 ZINC001725767686 1426450447 /nfs/dbraw/zinc/45/04/47/1426450447.db2.gz RCXMEHLJCCGSQW-FXAWDEMLSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCC[NH+]1CCC(C2(NC(=O)CC[NH+]3CCCCC3)CC2)CC1 ZINC001725795879 1426481252 /nfs/dbraw/zinc/48/12/52/1426481252.db2.gz CTTTVZVYTOSVKU-UHFFFAOYSA-N 2 0 349.563 3.413 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21)CCCC(C)(C)C ZINC001731247293 1427202026 /nfs/dbraw/zinc/20/20/26/1427202026.db2.gz CAPALAWNEVJUHB-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CCC1=CCCCC1 ZINC001731311089 1427252148 /nfs/dbraw/zinc/25/21/48/1427252148.db2.gz NCTWGGNOOIEFTI-UHFFFAOYSA-N 2 0 347.547 3.334 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](Cc1ccsc1)C1CC1 ZINC001731333148 1427271617 /nfs/dbraw/zinc/27/16/17/1427271617.db2.gz GRPIRECGQYDNLE-SFHVURJKSA-N 2 0 349.544 3.092 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001731468560 1427447898 /nfs/dbraw/zinc/44/78/98/1427447898.db2.gz PLCIBHDGRAFQBQ-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731503499 1427486381 /nfs/dbraw/zinc/48/63/81/1427486381.db2.gz MIXWVDAWFBKNHD-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1C[NH2+]CCCC(C)C ZINC001731546606 1427563877 /nfs/dbraw/zinc/56/38/77/1427563877.db2.gz NPDNSGBCZIIHSV-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC[C@@H](C)[NH2+]CCC2=CCCCC2)C1 ZINC001731617527 1427665262 /nfs/dbraw/zinc/66/52/62/1427665262.db2.gz RSLYVBXVNRCYGK-IEBWSBKVSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([NH+](C)CCC2=CCCCC2)C1 ZINC001731720057 1427788388 /nfs/dbraw/zinc/78/83/88/1427788388.db2.gz NXHSOKJHQIPNNF-LJQANCHMSA-N 2 0 335.536 3.140 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NCC[C@@H](C)[NH2+][C@@H](C)c1ccc(Cl)cc1 ZINC001731739944 1427826463 /nfs/dbraw/zinc/82/64/63/1427826463.db2.gz KMUNHTREGSABBE-CABCVRRESA-N 2 0 339.911 3.226 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]1CC[N@H+](CC2=CCCCC2)C1)[NH+](CC)CC ZINC001731855631 1428088921 /nfs/dbraw/zinc/08/89/21/1428088921.db2.gz WLCLQIKKPPBQNQ-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[N@H+](CCNC(=O)[C@@H]1CC[NH+](C2CCCCC2)C1)C1CC1 ZINC001731877344 1428142076 /nfs/dbraw/zinc/14/20/76/1428142076.db2.gz RVKRFADZCPMMSP-GOSISDBHSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]([NH2+]CCN(C)C(=O)CC[NH+](C)C)c1cc(Cl)ccc1Cl ZINC001731950423 1428180624 /nfs/dbraw/zinc/18/06/24/1428180624.db2.gz WGHSQDCYXVPIHQ-GFCCVEGCSA-N 2 0 346.302 3.054 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[NH+]2CC(CC)CC ZINC001733602743 1429809238 /nfs/dbraw/zinc/80/92/38/1429809238.db2.gz RFGRVUWCIFXMBR-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@@H]1CCCN2C(=O)C12CCC[NH+]1CCC2 ZINC001733607746 1429824622 /nfs/dbraw/zinc/82/46/22/1429824622.db2.gz VPLBGQLJYDOJJQ-OALUTQOASA-N 2 0 347.547 3.260 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)c1 ZINC001733780649 1430043100 /nfs/dbraw/zinc/04/31/00/1430043100.db2.gz LRSJMOMERUXIKN-LJQANCHMSA-N 2 0 345.531 3.241 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733782794 1430051001 /nfs/dbraw/zinc/05/10/01/1430051001.db2.gz PHGSANKBVDWJIH-WOJBJXKFSA-N 2 0 349.563 3.223 10 0 EGAERP CCC1([NH2+]Cc2ccccc2F)CCN(C(=O)CCC[NH+](C)C)CC1 ZINC001733805055 1430074319 /nfs/dbraw/zinc/07/43/19/1430074319.db2.gz LNVMYPZZDSONAS-UHFFFAOYSA-N 2 0 349.494 3.028 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@@H]1CCCC[NH+]1C)C2 ZINC001733811280 1430089426 /nfs/dbraw/zinc/08/94/26/1430089426.db2.gz CGZMZXRMHDYFRX-CFQKCQFKSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001733869417 1437695872 /nfs/dbraw/zinc/69/58/72/1437695872.db2.gz CMXGJJOHPANCMX-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@H]1CCCN1C(=O)CC[C@@H]1CCC[NH+]1C ZINC001733927491 1437740682 /nfs/dbraw/zinc/74/06/82/1437740682.db2.gz AZSXYSSZDBSOOH-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CC/C=C\CC[N@H+](C)C[C@@H]1CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001733937134 1437751584 /nfs/dbraw/zinc/75/15/84/1437751584.db2.gz GZECNFTXFNFRIX-HCZHMGAMSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@@H](NC(=O)c1ccccc1CC[NH+](C)C)[C@@H](C)[NH2+]CCC(C)(C)C ZINC001733981904 1437779452 /nfs/dbraw/zinc/77/94/52/1437779452.db2.gz IVSRNWGFLIKUGV-IAGOWNOFSA-N 2 0 347.547 3.323 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C)[C@H](C)[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001734006574 1437798393 /nfs/dbraw/zinc/79/83/93/1437798393.db2.gz PYXGNZZFICUOLO-IRXDYDNUSA-N 2 0 347.547 3.307 10 0 EGAERP C[C@H](CNC(=O)C12CCC[NH+](CCC1)C2)[N@H+](C)[C@H](C)c1ccccc1 ZINC001734044311 1437832465 /nfs/dbraw/zinc/83/24/65/1437832465.db2.gz GWFTXISRKQXPLW-QZTJIDSGSA-N 2 0 343.515 3.060 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[C@H](C[NH2+][C@@H](C)c2cc(C)ccc2C)C1 ZINC001734218388 1437946856 /nfs/dbraw/zinc/94/68/56/1437946856.db2.gz HHWLPBISJXFYGJ-FHWLQOOXSA-N 2 0 345.531 3.191 10 0 EGAERP CCc1ccc(C[N@H+](C)C2CCN(C(=O)C[NH+](C)C(C)C)CC2)cc1 ZINC001734273123 1438005106 /nfs/dbraw/zinc/00/51/06/1438005106.db2.gz CFNLIICKCYQVJV-UHFFFAOYSA-N 2 0 345.531 3.012 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)CN(C)C(=O)C[C@H]2CC[N@H+](C)C2)cc1 ZINC001734350909 1438068916 /nfs/dbraw/zinc/06/89/16/1438068916.db2.gz LFDTXPFCXMXRMG-IEBWSBKVSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001734429979 1438094215 /nfs/dbraw/zinc/09/42/15/1438094215.db2.gz FYFRDIPNVQLIGI-WWAPKCSDSA-N 2 0 335.536 3.188 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)C[N@H+](C)CC(C)(C)C)CC1(C)C ZINC001734499366 1438133961 /nfs/dbraw/zinc/13/39/61/1438133961.db2.gz COCQARKMLPXUSN-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CC1(C)CN(C(=O)CCC[NH+]2CCCC2)C[C@@H]1[NH2+]CC1=CCCCC1 ZINC001734504214 1438136664 /nfs/dbraw/zinc/13/66/64/1438136664.db2.gz MXGVNTPJTHWZKP-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H](C[NH2+]CC1CCC2(CC2)CC1)C(C)(C)C ZINC001734570107 1438164297 /nfs/dbraw/zinc/16/42/97/1438164297.db2.gz KAKHJTQKPDGZGV-QGZVFWFLSA-N 2 0 337.552 3.029 10 0 EGAERP CC[C@H](C(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1)[NH+](C)C ZINC001734577650 1438170425 /nfs/dbraw/zinc/17/04/25/1438170425.db2.gz KIFNZUJPWMXXDP-SJLPKXTDSA-N 2 0 339.568 3.370 10 0 EGAERP CC[C@H](C(=O)N[C@@H](C)C1CC[NH+](CCCC2CCC2)CC1)[NH+](C)C ZINC001734583933 1438174754 /nfs/dbraw/zinc/17/47/54/1438174754.db2.gz IBERAOBOWNWBDX-QFBILLFUSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC[NH+](C)C2)CC(C)(C)C1 ZINC001750945976 1440118409 /nfs/dbraw/zinc/11/84/09/1440118409.db2.gz XQJJLXHMPIUEMW-PXEQJPNCSA-N 2 0 349.563 3.291 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H](c2ccccc2)C(C)(C)CO)[C@H]2CCC[C@H]21 ZINC000367616057 283138581 /nfs/dbraw/zinc/13/85/81/283138581.db2.gz NDVUILIIBSPADU-YSTOQKLRSA-N 2 0 330.516 3.251 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N(C)[C@@H]1CC[N@H+](CC)C[C@@H]1C ZINC000357238221 283208115 /nfs/dbraw/zinc/20/81/15/283208115.db2.gz MVZCEPATBWQVNB-ZWKOTPCHSA-N 2 0 325.541 3.077 10 0 EGAERP C[N@H+](Cc1ccccc1)CC(C)(C)C[NH2+][C@@H]1CCc2nc[nH]c2C1 ZINC000377724027 169069043 /nfs/dbraw/zinc/06/90/43/169069043.db2.gz OBSXIIIFZWUSKT-QGZVFWFLSA-N 3 0 326.488 3.015 10 0 EGAERP COc1ccccc1CC[N@H+](C)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000346223775 141185061 /nfs/dbraw/zinc/18/50/61/141185061.db2.gz UOVNMJOCMRHHJZ-UHFFFAOYSA-N 2 0 336.439 3.259 10 0 EGAERP C[C@H](c1ccc(F)c(F)c1)N1CCN(C[C@H]2CCCC[N@@H+]2C)CC1 ZINC000171921361 144012688 /nfs/dbraw/zinc/01/26/88/144012688.db2.gz ZTYCLPSJFOETKR-NVXWUHKLSA-N 2 0 337.458 3.128 10 0 EGAERP CO[C@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@@H]1C ZINC000188309480 286073451 /nfs/dbraw/zinc/07/34/51/286073451.db2.gz IHKBPJMWKWQVDX-UWJYYQICSA-N 2 0 345.531 3.074 10 0 EGAERP Cc1ccc(O)c(C[NH2+]C[C@@H]2CCCC[N@H+](Cc3ccccc3)C2)n1 ZINC000311198906 154146781 /nfs/dbraw/zinc/14/67/81/154146781.db2.gz HGXYXKBGBGPUSC-IBGZPJMESA-N 2 0 339.483 3.488 10 0 EGAERP COc1cc(C[NH2+]C[C@H]2CCC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000311191220 154147343 /nfs/dbraw/zinc/14/73/43/154147343.db2.gz FRDJTEVDQZJGSM-LJQANCHMSA-N 2 0 340.467 3.403 10 0 EGAERP C[C@@H]([NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000248620122 163022516 /nfs/dbraw/zinc/02/25/16/163022516.db2.gz SSKIZCFWTPNBQB-OBMJPTGESA-N 2 0 332.488 3.001 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2cnc(OC)nc2C)CC1)CC1CC1 ZINC000337173702 163152841 /nfs/dbraw/zinc/15/28/41/163152841.db2.gz GNMWFHZTNZZDCC-UHFFFAOYSA-N 2 0 346.519 3.128 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@H+](C)CCOc1ccccc1F ZINC000346156718 164351960 /nfs/dbraw/zinc/35/19/60/164351960.db2.gz BDAVTPKCZLWHKK-UHFFFAOYSA-N 2 0 340.402 3.226 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccccc2-c2ccnn2C)C[C@@H]1C ZINC000351645105 165113132 /nfs/dbraw/zinc/11/31/32/165113132.db2.gz VBTFLADUAMDYMS-WMZOPIPTSA-N 2 0 326.488 3.392 10 0 EGAERP COc1cc2c(NCCC[N@H+]3C[C@@H](C)O[C@@H](C)C3)cc[nH+]c2cc1F ZINC000359461549 167163037 /nfs/dbraw/zinc/16/30/37/167163037.db2.gz ZEQUEXSDUJVGLS-OKILXGFUSA-N 2 0 347.434 3.294 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(N3CCCCC3)nc2)[C@H]2CCC[C@@H]21 ZINC000367585589 168245247 /nfs/dbraw/zinc/24/52/47/168245247.db2.gz DQSQSESIQPPARG-QYZOEREBSA-N 2 0 328.504 3.034 10 0 EGAERP COCCC[NH+]1CCC([NH2+][C@@H](Cc2ccccc2OC)C(C)C)CC1 ZINC000159218739 225172995 /nfs/dbraw/zinc/17/29/95/225172995.db2.gz SJTRYZGQYBREQC-FQEVSTJZSA-N 2 0 348.531 3.353 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCO[C@H](C(C)(C)C)C2)cc1 ZINC000677854748 549343639 /nfs/dbraw/zinc/34/36/39/549343639.db2.gz ZGWZTJHAZCGBIM-MJGOQNOKSA-N 2 0 334.504 3.310 10 0 EGAERP C[C@H]1C[C@H](N(C)C(=O)c2oc3ccccc3c2C[NH+](C)C)CC[N@@H+]1C ZINC000123452948 222279898 /nfs/dbraw/zinc/27/98/98/222279898.db2.gz IDFCSUIWQLAFCQ-LSDHHAIUSA-N 2 0 343.471 3.049 10 0 EGAERP COc1cccc([C@H](C)[NH+]2CCC(OCC[NH+]3CCCC3)CC2)c1 ZINC000175785708 265137932 /nfs/dbraw/zinc/13/79/32/265137932.db2.gz DKYJQSXEFOSAAH-KRWDZBQOSA-N 2 0 332.488 3.333 10 0 EGAERP COCCN1CCC[C@H]1C[NH2+][C@H](C)c1cc(Br)cs1 ZINC000194020501 266083628 /nfs/dbraw/zinc/08/36/28/266083628.db2.gz DYONUIPBEWJDRT-YPMHNXCESA-N 2 0 347.322 3.272 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CO)c(F)c1)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000274887439 267302017 /nfs/dbraw/zinc/30/20/17/267302017.db2.gz ITVPVURZZWAVMP-VQIMIIECSA-N 2 0 342.458 3.318 10 0 EGAERP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCO[C@@H](c3cncn3C)C1)CCC2 ZINC000278893066 275285092 /nfs/dbraw/zinc/28/50/92/275285092.db2.gz DXUMBMBGLBFFTP-XNRPHZJLSA-N 2 0 332.473 3.072 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]Cc2ccnn2-c2ccccc2)ccc1F ZINC000279155004 275308474 /nfs/dbraw/zinc/30/84/74/275308474.db2.gz PGVLVFBYFCFMGC-UHFFFAOYSA-N 2 0 338.430 3.363 10 0 EGAERP CC[NH+]1CCC(CC[NH2+]Cc2ccnn2-c2ccccc2OC)CC1 ZINC000281369845 275544019 /nfs/dbraw/zinc/54/40/19/275544019.db2.gz GCIWJZWBTIFNEH-UHFFFAOYSA-N 2 0 342.487 3.093 10 0 EGAERP C[C@@H]1CCC[C@@H]([NH+]2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)C1 ZINC000286969871 276064595 /nfs/dbraw/zinc/06/45/95/276064595.db2.gz IIGNRTHCXVQRBX-UIFIKXQLSA-N 2 0 330.516 3.223 10 0 EGAERP Cc1ccc2[nH+]ccc(N3CC[C@H]([NH+]4CCN(C)CC4)[C@H](C)C3)c2c1 ZINC000354577739 281170337 /nfs/dbraw/zinc/17/03/37/281170337.db2.gz XYYGBTBDEXLDHV-XLIONFOSSA-N 2 0 338.499 3.005 10 0 EGAERP C[NH+](C)[C@H]1CCOc2c(NC(=O)CC[C@@H]3CCCC[N@@H+]3C)cccc21 ZINC000357509449 289386058 /nfs/dbraw/zinc/38/60/58/289386058.db2.gz BRIPIKQXCFJVDZ-YJBOKZPZSA-N 2 0 345.487 3.275 10 0 EGAERP C[C@@H]([NH2+]CC[C@H]1CCC[N@H+](C)C1)c1ccc(-n2cncn2)cc1Cl ZINC000414200481 309066616 /nfs/dbraw/zinc/06/66/16/309066616.db2.gz XWQFULUZPHVDEK-HUUCEWRRSA-N 2 0 347.894 3.303 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@H](C)Cc2ccc(Br)cc2)C1 ZINC000249627070 308026955 /nfs/dbraw/zinc/02/69/55/308026955.db2.gz QBBJLDWBEZKANO-UKRRQHHQSA-N 2 0 325.294 3.312 10 0 EGAERP c1c(C[NH2+]CC[C@H]2CC[NH2+]C2)c(-c2ccccn2)nn1C1CCCC1 ZINC000414833208 309104503 /nfs/dbraw/zinc/10/45/03/309104503.db2.gz PKMHINBIPZWVGL-MRXNPFEDSA-N 2 0 339.487 3.149 10 0 EGAERP C[C@@H]([NH2+]CCC[NH+]1CCCC1)[C@@H]1CCCN(C(=O)OC(C)(C)C)C1 ZINC000309897210 308763219 /nfs/dbraw/zinc/76/32/19/308763219.db2.gz LYSAQKNVCAZMLX-IAGOWNOFSA-N 2 0 339.524 3.098 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+][C@@H]1CC[NH2+]C[C@@H]1C ZINC000414945478 309110524 /nfs/dbraw/zinc/11/05/24/309110524.db2.gz RRSVUCBKYVMAFX-FIXISWKDSA-N 2 0 329.257 3.107 10 0 EGAERP [NH3+]C[C@H]1CC[C@H](C[NH2+]Cc2ccccc2OCC(F)(F)F)CC1 ZINC000415023373 309114876 /nfs/dbraw/zinc/11/48/76/309114876.db2.gz KUHBSIBVMOSEGB-HDJSIYSDSA-N 2 0 330.394 3.482 10 0 EGAERP COC(=O)c1ccc(Cl)c(CN2CCCC[C@@H]2[C@H]2CC[NH2+]C2)c1 ZINC000415059453 309117380 /nfs/dbraw/zinc/11/73/80/309117380.db2.gz WXEDHEWDOXWGTB-WMLDXEAASA-N 2 0 336.863 3.091 10 0 EGAERP COc1c(C)cc(C[NH+]2CCC([C@H]3C[C@@H]([NH3+])CCO3)CC2)cc1C ZINC000415129546 309122612 /nfs/dbraw/zinc/12/26/12/309122612.db2.gz UXVBGAYGAHWCSV-RBUKOAKNSA-N 2 0 332.488 3.030 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCCC[N@@H+]1CCC[C@@H](C)C1 ZINC000415896213 309146515 /nfs/dbraw/zinc/14/65/15/309146515.db2.gz CYFUSJQAUJJLOJ-MRXNPFEDSA-N 2 0 332.492 3.040 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)Nc2ccc3c(c2)C[NH2+]C3)C1 ZINC000415988492 309153235 /nfs/dbraw/zinc/15/32/35/309153235.db2.gz CXARDEQSGWEGFL-IYBDPMFKSA-N 2 0 344.503 3.169 10 0 EGAERP CCN(CC[NH+]1CCCCCC1)C(=O)Nc1ccc2c(c1)C[NH2+]C2 ZINC000416009704 309154436 /nfs/dbraw/zinc/15/44/36/309154436.db2.gz NRIWHVWUWADOKS-UHFFFAOYSA-N 2 0 330.476 3.020 10 0 EGAERP C[C@@H]([NH3+])c1ccc(CNC(=O)NCCCCC[NH+]2CCCCC2)cc1 ZINC000417715542 309219506 /nfs/dbraw/zinc/21/95/06/309219506.db2.gz SVZOCNPRNKRDKK-QGZVFWFLSA-N 2 0 346.519 3.162 10 0 EGAERP COc1cc(CCC2CC[NH+](CC[C@H]3CC[NH2+]C3)CC2)cc(OC)c1 ZINC000420324474 309282458 /nfs/dbraw/zinc/28/24/58/309282458.db2.gz VKQCWYYDALYQKF-GOSISDBHSA-N 2 0 346.515 3.348 10 0 EGAERP Cc1nc(C(F)(F)F)c(C[NH+]2CCC([C@@H]3CCC[NH2+]3)CC2)s1 ZINC000420337686 309282945 /nfs/dbraw/zinc/28/29/45/309282945.db2.gz OKFGKDFCSKEYRF-LBPRGKRZSA-N 2 0 333.423 3.434 10 0 EGAERP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@@H]3[C@H]3CC[NH2+]C3)ccc2o1 ZINC000420394364 309286221 /nfs/dbraw/zinc/28/62/21/309286221.db2.gz KIOPKRRSMICATN-DOTOQJQBSA-N 2 0 342.439 3.183 10 0 EGAERP CC(C)[N@H+](CC(=O)NC1CC[NH+](C2CC2)CC1)[C@H](C)c1ccsc1 ZINC000421001025 309306697 /nfs/dbraw/zinc/30/66/97/309306697.db2.gz FEWRLPQQCDKGOO-OAHLLOKOSA-N 2 0 349.544 3.263 10 0 EGAERP CC[C@@H]1C[C@H]([NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)CCO1 ZINC000421388576 309322238 /nfs/dbraw/zinc/32/22/38/309322238.db2.gz QARWPNJISSNSCC-UYAOXDASSA-N 2 0 345.531 3.264 10 0 EGAERP C[C@H](C[C@H](C)[NH3+])[NH2+]C1CCN(Cc2cccc(C(F)(F)F)c2)CC1 ZINC000422720651 309364946 /nfs/dbraw/zinc/36/49/46/309364946.db2.gz ZYOFNIMKKZHTEM-UONOGXRCSA-N 2 0 343.437 3.385 10 0 EGAERP COc1cc(F)c([C@H](C)[NH2+][C@H](C)c2ccc(C[NH3+])nc2C)cc1OC ZINC000422727141 309365383 /nfs/dbraw/zinc/36/53/83/309365383.db2.gz GWXNCGSZTKJVFF-YPMHNXCESA-N 2 0 347.434 3.417 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H](C)c2cccc(Cl)c2)CC[NH2+]CC1 ZINC000422743742 309366166 /nfs/dbraw/zinc/36/61/66/309366166.db2.gz JFEPJIRDMQFWKK-KGLIPLIRSA-N 2 0 338.879 3.312 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@H]1CCOc2ccc(Br)cc21 ZINC000422768100 309367254 /nfs/dbraw/zinc/36/72/54/309367254.db2.gz UGTABPCCABZCLY-FZMZJTMJSA-N 2 0 327.266 3.380 10 0 EGAERP COc1ccc([C@H](NCC[NH+](C(C)C)C(C)C)[C@@H]2CCC[NH2+]2)cc1 ZINC000422767132 309367343 /nfs/dbraw/zinc/36/73/43/309367343.db2.gz YDLFCLDWIBCWKM-PMACEKPBSA-N 2 0 333.520 3.197 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC1(c2cccc(C(F)(F)F)c2)CCC1 ZINC000422777255 309367756 /nfs/dbraw/zinc/36/77/56/309367756.db2.gz BWFAVWGZOFCXIH-MRXNPFEDSA-N 2 0 344.421 3.471 10 0 EGAERP COc1ccccc1O[C@H](C)C[NH2+][C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1 ZINC000422779953 309367910 /nfs/dbraw/zinc/36/79/10/309367910.db2.gz CLKVJLHIRLSYPS-ZJPYXAASSA-N 2 0 332.488 3.363 10 0 EGAERP COc1ccc([C@H](NCCC[NH+]2CCC(C)CC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422794729 309368673 /nfs/dbraw/zinc/36/86/73/309368673.db2.gz ZEMPTRYXEJDVOU-SFTDATJTSA-N 2 0 345.531 3.200 10 0 EGAERP CCO[C@H](CC[NH2+][C@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422804271 309369423 /nfs/dbraw/zinc/36/94/23/309369423.db2.gz FBIOCBKKLPLPOY-NLWGTHIKSA-N 2 0 332.488 3.283 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422885878 309373955 /nfs/dbraw/zinc/37/39/55/309373955.db2.gz HNOKEGPLFHPCQM-LBVWLFBPSA-N 3 0 329.532 3.250 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CCc1nc(C2CCCCC2)cs1 ZINC000422911958 309375887 /nfs/dbraw/zinc/37/58/87/309375887.db2.gz LUOIUWIGGSJZSG-OAHLLOKOSA-N 2 0 325.522 3.077 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccccc1)c1ccccc1OC ZINC000422957345 309378018 /nfs/dbraw/zinc/37/80/18/309378018.db2.gz NJGPURKTPKVSHH-YLJYHZDGSA-N 2 0 328.456 3.128 10 0 EGAERP Cc1ccc([C@H](Cn2ccnc2)[NH2+]C2CCC(C[NH3+])CC2)c(C)c1 ZINC000423004350 309380353 /nfs/dbraw/zinc/38/03/53/309380353.db2.gz ORNAHJWCFMHWQX-QLOJAFMTSA-N 2 0 326.488 3.348 10 0 EGAERP COc1cccc([C@@H]2[C@@H]([NH2+][C@H](C)CCCC[NH3+])CCN2C2CC2)c1 ZINC000423037410 309382357 /nfs/dbraw/zinc/38/23/57/309382357.db2.gz BMQXVURLQYBSGQ-UIAACRFSSA-N 2 0 331.504 3.080 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CC1(c2ccc(F)cc2F)CCCC1 ZINC000423058604 309383552 /nfs/dbraw/zinc/38/35/52/309383552.db2.gz CTFZASCOYIEJNT-HNNXBMFYSA-N 2 0 326.431 3.120 10 0 EGAERP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096996 309385675 /nfs/dbraw/zinc/38/56/75/309385675.db2.gz QFVWYJNRBSQCSG-RXABAKJHSA-N 2 0 334.891 3.333 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2C[C@H](c3ccccc3C)C2)CC[NH2+]CC1 ZINC000423109851 309386468 /nfs/dbraw/zinc/38/64/68/309386468.db2.gz VEUWFCFBAFLNAY-BZSNNMDCSA-N 2 0 344.499 3.152 10 0 EGAERP COc1ccc([C@@H](NCCCCC[NH+]2CCCC2)[C@@H]2CCC[NH2+]2)cc1 ZINC000423137455 309387884 /nfs/dbraw/zinc/38/78/84/309387884.db2.gz QZYZASBKSRSSRJ-LEWJYISDSA-N 2 0 345.531 3.344 10 0 EGAERP COc1ccc([C@H](NCCCCC[NH+]2CCCC2)[C@H]2CCC[NH2+]2)cc1 ZINC000423137457 309387992 /nfs/dbraw/zinc/38/79/92/309387992.db2.gz QZYZASBKSRSSRJ-RTWAWAEBSA-N 2 0 345.531 3.344 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+]Cc1c(F)cccc1-n1cccn1 ZINC000423153581 309388500 /nfs/dbraw/zinc/38/85/00/309388500.db2.gz HXOTYAYGCXPXIX-ZDUSSCGKSA-N 2 0 339.418 3.024 10 0 EGAERP C[C@@H](NCCC[NH2+]Cc1cccnc1)c1ccnn1-c1ccccc1 ZINC000423189497 309389809 /nfs/dbraw/zinc/38/98/09/309389809.db2.gz POHIYHRGTKHIJO-QGZVFWFLSA-N 2 0 335.455 3.098 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H]([NH2+]CC[C@@H]3CC[NH2+]C3)[C@H]3CCC[C@H]32)cc1 ZINC000423239628 309392085 /nfs/dbraw/zinc/39/20/85/309392085.db2.gz BMUYCYVVFFSUCF-FYZZASKESA-N 3 0 327.516 3.019 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc([C@H](C)[NH3+])cc1)c1ccc(OCC[NH+](C)C)cc1 ZINC000423292154 309394196 /nfs/dbraw/zinc/39/41/96/309394196.db2.gz LSBGZTLINBCCMV-DLBZAZTESA-N 3 0 341.499 3.498 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2CCN(Cc3ccccn3)C[C@@H]2C)cc1 ZINC000423293639 309394299 /nfs/dbraw/zinc/39/42/99/309394299.db2.gz RUXORLAOARHCHD-FIKGOQFSSA-N 3 0 338.499 3.102 10 0 EGAERP c1ccc(C[N@H+]2CC[C@H](NCC[C@H]3CCC[NH2+]3)[C@H]3CCC[C@@H]32)cc1 ZINC000423367665 309397398 /nfs/dbraw/zinc/39/73/98/309397398.db2.gz YRFPAVQLWSZMTQ-CGXNFDGLSA-N 3 0 327.516 3.161 10 0 EGAERP C[C@H]([NH2+]CCC[C@@H]1CCC[NH2+]1)c1ccc(-n2cncn2)cc1Cl ZINC000423487242 309402478 /nfs/dbraw/zinc/40/24/78/309402478.db2.gz TZBREYNNDFUFEU-UONOGXRCSA-N 2 0 333.867 3.104 10 0 EGAERP CC(C)(CC1CCCCCC1)[NH2+]CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000444806275 309931044 /nfs/dbraw/zinc/93/10/44/309931044.db2.gz XBALOEOOHSZVMH-UHFFFAOYSA-N 2 0 349.563 3.458 10 0 EGAERP COc1cc2ccccc2cc1C[NH2+]CCCC[NH+]1CCOCC1 ZINC000449084054 310035591 /nfs/dbraw/zinc/03/55/91/310035591.db2.gz WHPTWTVBSZISAV-UHFFFAOYSA-N 2 0 328.456 3.050 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+]Cc2cc3cccnc3o2)c1 ZINC000449091060 310036336 /nfs/dbraw/zinc/03/63/36/310036336.db2.gz PAZFXQMOWWIXAR-UHFFFAOYSA-N 2 0 325.412 3.058 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CC[C@H](c2ccc(Cl)cc2)C1)CN1CC[NH+](C)CC1 ZINC000449131015 310039301 /nfs/dbraw/zinc/03/93/01/310039301.db2.gz JOKOKXQFUKRNPU-IMFGXOCKSA-N 2 0 349.950 3.449 10 0 EGAERP CCO[C@H]1COCC[C@H]1[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449240376 310046988 /nfs/dbraw/zinc/04/69/88/310046988.db2.gz YRNCECLEKOFSGI-MSOLQXFVSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCO[C@H](C)C2)CC1 ZINC000449254090 310047750 /nfs/dbraw/zinc/04/77/50/310047750.db2.gz WHCVNRPKWNJGRK-NLWGTHIKSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@]2(O)CCC[C@H]2C)CC1 ZINC000449346336 310055474 /nfs/dbraw/zinc/05/54/74/310055474.db2.gz ZHGAFTNNQZBXKH-OPYAIIAOSA-N 2 0 330.516 3.223 10 0 EGAERP CO[C@@H]([C@H](C)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1)C1CC1 ZINC000449627935 310075970 /nfs/dbraw/zinc/07/59/70/310075970.db2.gz HRIHRKKJBMYONG-WWMYMODYSA-N 2 0 330.516 3.485 10 0 EGAERP CC[C@@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccncc1 ZINC000453121153 310259339 /nfs/dbraw/zinc/25/93/39/310259339.db2.gz OVBHVRQGXXKTER-LJQANCHMSA-N 2 0 330.520 3.073 10 0 EGAERP C[C@H]([NH2+]CC1(C)CC[NH+](C)CC1)c1cc(-c2ccccc2)nn1C ZINC000453200626 310263692 /nfs/dbraw/zinc/26/36/92/310263692.db2.gz VIOLSXAGPWRAOY-INIZCTEOSA-N 2 0 326.488 3.470 10 0 EGAERP Cc1cc(Br)c(C[NH2+]CCCC[NH+]2CCOCC2)s1 ZINC000453583886 310282991 /nfs/dbraw/zinc/28/29/91/310282991.db2.gz GFUZPGSWQVTMAW-UHFFFAOYSA-N 2 0 347.322 3.021 10 0 EGAERP C[NH+](C)CCCC(C)(C)NC(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000456196784 310392997 /nfs/dbraw/zinc/39/29/97/310392997.db2.gz IDUJPIOINRBGEL-UHFFFAOYSA-N 2 0 331.504 3.133 10 0 EGAERP COc1cccc(C[C@@H](C)[NH2+]C2CCN(c3cc[nH+]cc3)CC2)c1 ZINC000459406850 310550384 /nfs/dbraw/zinc/55/03/84/310550384.db2.gz HAPYAOWOSFDCJH-MRXNPFEDSA-N 2 0 325.456 3.280 10 0 EGAERP CC[NH+](CC)CC1CCN([C@@H](C(=O)OC)c2ccc(F)cc2)CC1 ZINC000488435258 311065430 /nfs/dbraw/zinc/06/54/30/311065430.db2.gz PJLTUVPQGBEYHN-GOSISDBHSA-N 2 0 336.451 3.094 10 0 EGAERP Cc1c(C)c(C)c(C[N@H+](C)CCCN2CC[NH+](C)CC2)c(C)c1C ZINC000492803183 311293089 /nfs/dbraw/zinc/29/30/89/311293089.db2.gz AFFPAMVJMSCLMX-UHFFFAOYSA-N 2 0 331.548 3.298 10 0 EGAERP COc1ccccc1/C=C\C[NH2+]CCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000525484640 312728394 /nfs/dbraw/zinc/72/83/94/312728394.db2.gz HCGODQIGMSFPNM-YKMZWVQYSA-N 2 0 332.488 3.187 10 0 EGAERP CCOc1cc(C[N@@H+]2CCC[C@H](c3ncc[nH]3)C2)c(F)cc1OC ZINC000529525639 313342589 /nfs/dbraw/zinc/34/25/89/313342589.db2.gz ZBDMHROOEJSHAE-ZDUSSCGKSA-N 2 0 333.407 3.336 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C[C@H]2CCC[C@H]2OC)CC1 ZINC000538125545 314228297 /nfs/dbraw/zinc/22/82/97/314228297.db2.gz XFEUEOLKNLMYHT-TZIWHRDSSA-N 2 0 345.531 3.123 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@@H](C(C)(C)C)C1 ZINC000544180174 314678901 /nfs/dbraw/zinc/67/89/01/314678901.db2.gz AYFDIZRXMPHFKV-SJLPKXTDSA-N 2 0 328.460 3.259 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1CC[NH+](C)[C@@H]1c1ccccc1)C1CCCCC1 ZINC000548392270 315003366 /nfs/dbraw/zinc/00/33/66/315003366.db2.gz OMEBRZBZCUOSHG-PZJWPPBQSA-N 2 0 343.515 3.203 10 0 EGAERP CC[NH+](CC)CCCNC(=O)C1CC[NH+]([C@@H]2C=CCCCCC2)CC1 ZINC000549366040 315088644 /nfs/dbraw/zinc/08/86/44/315088644.db2.gz CQYSLBLLVPXFRH-HXUWFJFHSA-N 2 0 349.563 3.435 10 0 EGAERP CC1(C[NH2+]C[C@@H]2C[N@H+](Cc3ccccc3)CC23CCOCC3)CC1 ZINC000549876656 315108421 /nfs/dbraw/zinc/10/84/21/315108421.db2.gz QVLKQBXDURSCKZ-LJQANCHMSA-N 2 0 328.500 3.305 10 0 EGAERP CC(C)[C@H]1CC[C@H]1[NH2+]Cc1ccc(C(=O)NCC[NH+]2CCCC2)cc1 ZINC000552062016 315194264 /nfs/dbraw/zinc/19/42/64/315194264.db2.gz IKLNNUFAJGMWNZ-WOJBJXKFSA-N 2 0 343.515 3.036 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]CCCC[NH+]2C[C@H](C)O[C@@H](C)C2)cc1 ZINC000552899100 315237063 /nfs/dbraw/zinc/23/70/63/315237063.db2.gz LPVBNOHUJIXQIB-BZSNNMDCSA-N 2 0 334.504 3.105 10 0 EGAERP COc1cc(Br)ccc1[C@H](C)[NH2+][C@@H]1CCC[C@H]([NH3+])C1 ZINC000565227325 316295203 /nfs/dbraw/zinc/29/52/03/316295203.db2.gz VCNATTKGTVKVFB-WCFLWFBJSA-N 2 0 327.266 3.378 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)[C@H]2[NH2+]CCCC2(C)C)CC1 ZINC000565719485 316361109 /nfs/dbraw/zinc/36/11/09/316361109.db2.gz XPUPMFVQEIOEGR-IEBWSBKVSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H](N[C@H]1CC[N@H+](Cc2ccccc2)CC1(C)C)[C@@H]1CCC[NH2+]C1 ZINC000570792645 317108086 /nfs/dbraw/zinc/10/80/86/317108086.db2.gz ZHJIKDGKUKXGNZ-SXLOBPIMSA-N 2 0 329.532 3.265 10 0 EGAERP CN1CC[C@H]([NH2+][C@@H]2CCC[C@H]([NH3+])C2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000572378351 317331550 /nfs/dbraw/zinc/33/15/50/317331550.db2.gz ACTFLRVGWNNHTI-RMHZUWNSSA-N 2 0 325.859 3.084 10 0 EGAERP COc1ccc2c(c1)C[C@@H]([NH2+]Cc1ccc(Cn3ccnc3)cc1)CO2 ZINC000453068681 324350859 /nfs/dbraw/zinc/35/08/59/324350859.db2.gz BLIUDHLHZKTBAJ-LJQANCHMSA-N 2 0 349.434 3.033 10 0 EGAERP C[C@H](C[NH+]1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1)c1ccc(F)cc1 ZINC000579647358 325138367 /nfs/dbraw/zinc/13/83/67/325138367.db2.gz LKELZTCTQUHKAA-ZEDDUWKQSA-N 2 0 345.506 3.172 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]CC(C2CCC2)C2CCC2)CC[NH2+]CC1 ZINC000600704031 460574214 /nfs/dbraw/zinc/57/42/14/460574214.db2.gz ODLLAIRJTSCKRD-HNNXBMFYSA-N 2 0 336.520 3.114 10 0 EGAERP [NH3+][C@@H]1CCCCCN(Cc2ccc(OCc3ccccn3)cc2)C1 ZINC000631834508 460576272 /nfs/dbraw/zinc/57/62/72/460576272.db2.gz YTDUKDWFYDYUKO-GOSISDBHSA-N 2 0 325.456 3.364 10 0 EGAERP C[C@@H]1C[C@@H](N[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C[N@@H+]1C1CC1 ZINC000245679776 455353789 /nfs/dbraw/zinc/35/37/89/455353789.db2.gz IQBNEOWUVRWBKG-NLXHMFRLSA-N 2 0 339.527 3.397 10 0 EGAERP CC1CC[NH+](Cc2ccc(C(=O)NCC[NH+]3CCCCC3)cc2)CC1 ZINC000034682399 453920348 /nfs/dbraw/zinc/92/03/48/453920348.db2.gz JJDIUPVPXUJIQV-UHFFFAOYSA-N 2 0 343.515 3.134 10 0 EGAERP C[C@H]1CC[C@H](C)[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)C1 ZINC000076148996 453971564 /nfs/dbraw/zinc/97/15/64/453971564.db2.gz RFFPGVHNTJYSSO-ROUUACIJSA-N 2 0 343.515 3.019 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]C2CCSCC2)CC1 ZINC000088714622 454116970 /nfs/dbraw/zinc/11/69/70/454116970.db2.gz LZIOJSRMQGARSL-UHFFFAOYSA-N 2 0 333.545 3.204 10 0 EGAERP CC1(C[NH2+]CC2CC[NH+](Cc3ccccc3F)CC2)CCOCC1 ZINC000095939217 454233636 /nfs/dbraw/zinc/23/36/36/454233636.db2.gz QRKDXHXLANTKAW-UHFFFAOYSA-N 2 0 334.479 3.444 10 0 EGAERP Cc1csc(N2CCC([NH2+]C3CCC(C[NH+](C)C)CC3)CC2)n1 ZINC000090669171 454334883 /nfs/dbraw/zinc/33/48/83/454334883.db2.gz QJBCWYBHIZCUQO-UHFFFAOYSA-N 2 0 336.549 3.130 10 0 EGAERP CC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000132574107 454350275 /nfs/dbraw/zinc/35/02/75/454350275.db2.gz ZMTQVNWWEDRLAT-SWLSCSKDSA-N 2 0 327.394 3.409 10 0 EGAERP CCOc1ccc(OCC[NH+]2CCC(C[NH+]3CCCC3)CC2)cc1 ZINC000047970536 454426374 /nfs/dbraw/zinc/42/63/74/454426374.db2.gz DJHXMNSXFCOUIL-UHFFFAOYSA-N 2 0 332.488 3.272 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@H]2CCN2C2CCCCC2)cc1 ZINC000623614398 460641154 /nfs/dbraw/zinc/64/11/54/460641154.db2.gz CQTJUFJKHLXSQV-FQEVSTJZSA-N 2 0 345.531 3.124 10 0 EGAERP CCC[N@@H+]1CC[C@@H](C[NH2+][C@@H]2CCc3[nH]c4ccc(OC)cc4c3C2)C1 ZINC000123127109 454605843 /nfs/dbraw/zinc/60/58/43/454605843.db2.gz GBELUUYWXJZPFY-JKSUJKDBSA-N 2 0 341.499 3.355 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@@H](C)c2c(F)cccc2F)CC1 ZINC000105862651 454660991 /nfs/dbraw/zinc/66/09/91/454660991.db2.gz VAVINKLRMGCANR-KBPBESRZSA-N 2 0 326.431 3.050 10 0 EGAERP CC(C)OCCC[N@H+](C)CC1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000105915645 454668831 /nfs/dbraw/zinc/66/88/31/454668831.db2.gz LGAVIQMBTAZWHE-NRFANRHFSA-N 2 0 348.531 3.179 10 0 EGAERP C[C@@H]([NH2+]CCCN1CC[NH+](C)CC1)c1cc(Cl)cc(Cl)c1 ZINC000162570055 454784935 /nfs/dbraw/zinc/78/49/35/454784935.db2.gz AKFHGTTZYMIDBU-CYBMUJFWSA-N 2 0 330.303 3.282 10 0 EGAERP COC(=O)c1ccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)s1 ZINC000163352115 454841808 /nfs/dbraw/zinc/84/18/08/454841808.db2.gz YHDNFZNBKWAVGK-AWEZNQCLSA-N 2 0 345.468 3.172 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H](CNC2CC[NH+](CCc3ccccc3)CC2)C1 ZINC000125796538 454848252 /nfs/dbraw/zinc/84/82/52/454848252.db2.gz HONZRWZYMGTZSC-NRFANRHFSA-N 3 0 343.559 3.404 10 0 EGAERP CN1CCC([NH2+]C[C@H]2c3ccccc3C(=O)N2Cc2ccccc2)CC1 ZINC000623642233 460656473 /nfs/dbraw/zinc/65/64/73/460656473.db2.gz PXHPUUPZKLKXHG-NRFANRHFSA-N 2 0 349.478 3.068 10 0 EGAERP c1ccc(N2CCC([NH2+]C3CC[NH+](C4CCCCC4)CC3)CC2)nc1 ZINC000156214601 455094096 /nfs/dbraw/zinc/09/40/96/455094096.db2.gz KXVGLKGDIIOEOY-UHFFFAOYSA-N 2 0 342.531 3.437 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@H](c2cnn(C)c2)c2cccc(F)c2)CC1 ZINC000180642238 455216438 /nfs/dbraw/zinc/21/64/38/455216438.db2.gz PYWFMBZEJBLEEA-FQEVSTJZSA-N 2 0 344.478 3.360 10 0 EGAERP C[N@@H+]1CCC[C@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245764154 455375776 /nfs/dbraw/zinc/37/57/76/455375776.db2.gz WASIGCXEHVAHAI-NCYKPQTJSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1Cc1ccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)cc1 ZINC000246167221 455440012 /nfs/dbraw/zinc/44/00/12/455440012.db2.gz AVAFDVZXFMCIKM-LSTHTHJFSA-N 2 0 343.515 3.195 10 0 EGAERP CC[N@@H+]1CC[C@@H](CN[C@H](C)c2nnn(-c3cccc(Cl)c3)c2C)C1 ZINC000247251075 455579089 /nfs/dbraw/zinc/57/90/89/455579089.db2.gz ZSLNGPJCELFFLF-HIFRSBDPSA-N 2 0 347.894 3.222 10 0 EGAERP Cc1cn2c(n1)C[C@@H](C(=O)Nc1ccc(Cl)c(CN(C)C)c1)CC2 ZINC000626857604 460689150 /nfs/dbraw/zinc/68/91/50/460689150.db2.gz XETVTHAJAYJIKW-ZDUSSCGKSA-N 2 0 346.862 3.108 10 0 EGAERP CCO[C@H]1C[C@H]([NH2+]Cc2cccc(C[N@H+](C)CC)c2)C12CCOCC2 ZINC000186320552 455742329 /nfs/dbraw/zinc/74/23/29/455742329.db2.gz PTRYSTZFFWGUDH-PMACEKPBSA-N 2 0 346.515 3.202 10 0 EGAERP CC(C)CC[C@](C)(O)C[NH2+][C@H]1CCN(Cc2ccccn2)C[C@@H]1C ZINC000252696157 455829218 /nfs/dbraw/zinc/82/92/18/455829218.db2.gz MYPXKOLKLMRJMX-IHPCNDPISA-N 2 0 333.520 3.069 10 0 EGAERP CC(C)[C@H](Cn1cccn1)[NH2+]C[C@H]1CCCN1CCc1ccccc1 ZINC000253416034 455840876 /nfs/dbraw/zinc/84/08/76/455840876.db2.gz NSBLRDUUYODXFV-RTWAWAEBSA-N 2 0 340.515 3.204 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(Cl)cc2-n2cncn2)[C@@H](C)C1 ZINC000280218191 455919562 /nfs/dbraw/zinc/91/95/62/455919562.db2.gz JMLUJALWJYYSPG-YOEHRIQHSA-N 2 0 347.894 3.083 10 0 EGAERP Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)o1 ZINC000272409278 455941716 /nfs/dbraw/zinc/94/17/16/455941716.db2.gz KVQWULSOQVZSKC-YRPNKDGESA-N 2 0 340.467 3.407 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@@H]2CC[NH+]4CCCC[C@@H]24)C3)cc1 ZINC000272414994 455942905 /nfs/dbraw/zinc/94/29/05/455942905.db2.gz MCABBBMJZDQMHT-YHINDDMVSA-N 2 0 339.527 3.398 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@@H](N[C@H]2CC[NH+]4CCCC[C@@H]24)C3)cc1 ZINC000272414985 455942985 /nfs/dbraw/zinc/94/29/85/455942985.db2.gz MCABBBMJZDQMHT-WIYBCGNWSA-N 2 0 339.527 3.398 10 0 EGAERP CC(C)(C)c1ccc(OCC[NH2+][C@@H]2CCC[C@H]2[C@H]2COCCN2)cc1 ZINC000261950062 455976133 /nfs/dbraw/zinc/97/61/33/455976133.db2.gz OCWCXDZLIMLUDQ-VAMGGRTRSA-N 2 0 346.515 3.110 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+][C@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)C1 ZINC000280936645 456088006 /nfs/dbraw/zinc/08/80/06/456088006.db2.gz FWWRPFJSVHGTJG-AFYVEPGGSA-N 2 0 344.499 3.218 10 0 EGAERP CC[NH+](CC)[C@@H](C(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C)c1ccccc1 ZINC000617015218 460710584 /nfs/dbraw/zinc/71/05/84/460710584.db2.gz XUNYIVHJWZSKGN-ZWKOTPCHSA-N 2 0 331.504 3.059 10 0 EGAERP COc1cnccc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000188769808 456132632 /nfs/dbraw/zinc/13/26/32/456132632.db2.gz VTVMUZIBWMNDKK-JKSUJKDBSA-N 2 0 343.471 3.442 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC2(O)CCCCC2)CC1 ZINC000236799224 456185764 /nfs/dbraw/zinc/18/57/64/456185764.db2.gz DAXUPEGXOOMXDL-UHFFFAOYSA-N 2 0 345.531 3.003 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@H]2CCCCCC[C@@H]2[NH3+])cc1 ZINC000237108937 456234878 /nfs/dbraw/zinc/23/48/78/456234878.db2.gz ZJHFKUULKGRMHP-OALUTQOASA-N 2 0 347.503 3.253 10 0 EGAERP C[C@@H](CN(C)Cc1ccccc1)[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000297555703 456251089 /nfs/dbraw/zinc/25/10/89/456251089.db2.gz GWCBMPUNWCYBAU-SFHVURJKSA-N 3 0 338.499 3.161 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccccc2C[N@@H+]2CC[C@H](O)C2)C1 ZINC000352832215 456345587 /nfs/dbraw/zinc/34/55/87/456345587.db2.gz FESWRPDZCRLHBL-CDXJDZJCSA-N 2 0 328.500 3.335 10 0 EGAERP COCC[N@H+](C)CCOc1cccc(C[NH2+][C@@H]2CCC[C@@H]3C[C@@]32C)c1 ZINC000337384394 456350853 /nfs/dbraw/zinc/35/08/53/456350853.db2.gz KKDVTJQALGKERE-NRSPTQNISA-N 2 0 346.515 3.312 10 0 EGAERP CCc1cnc(N2CC[NH+](CCCc3cnccc3C)CC2)s1 ZINC000347770381 456358742 /nfs/dbraw/zinc/35/87/42/456358742.db2.gz AXWCXAQVUBNWRQ-UHFFFAOYSA-N 2 0 330.501 3.164 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H](C)c1cccc(C2CC2)c1)C(=O)NCC[NH+](C)C ZINC000340345120 456405215 /nfs/dbraw/zinc/40/52/15/456405215.db2.gz HKVMHLIEXQCEIB-UZLBHIALSA-N 2 0 345.531 3.307 10 0 EGAERP C[C@@H]([NH2+]C(C)(C)CNC(=O)CC[C@@H]1CCCC[N@@H+]1C)c1ccccc1 ZINC000353071395 456471949 /nfs/dbraw/zinc/47/19/49/456471949.db2.gz FDOCNLSOLXXIMN-MJGOQNOKSA-N 2 0 345.531 3.497 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCc2cc(C(F)(F)F)ccn2)[C@H]2CCC[C@H]21 ZINC000340467739 456477937 /nfs/dbraw/zinc/47/79/37/456477937.db2.gz TXPLVKKMVIQNCL-OWCLPIDISA-N 2 0 327.394 3.105 10 0 EGAERP CC[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C[NH+]2CCC(C)CC2)cc1 ZINC000340472684 456481121 /nfs/dbraw/zinc/48/11/21/456481121.db2.gz KFPJOZQHUQWZKW-FQEVSTJZSA-N 2 0 341.503 3.078 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@@H]1[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)CC1 ZINC000305754978 456555956 /nfs/dbraw/zinc/55/59/56/456555956.db2.gz FIDDHUJXRGDSPX-NCOADZHNSA-N 2 0 339.524 3.094 10 0 EGAERP Cc1nccn1-c1ccc(C[NH2+][C@@H]2CC[N@@H+](C)[C@@H]3CCC[C@H]32)cc1F ZINC000353522903 456733860 /nfs/dbraw/zinc/73/38/60/456733860.db2.gz SPFLJWJTTJKGQF-QXAKKESOSA-N 2 0 342.462 3.282 10 0 EGAERP CCc1cccc(F)c1C[NH+]1CCC(OCC[NH+]2CCCC2)CC1 ZINC000353620191 456809360 /nfs/dbraw/zinc/80/93/60/456809360.db2.gz WZWLWOMNMNBYBN-UHFFFAOYSA-N 2 0 334.479 3.465 10 0 EGAERP COCC[C@@H](COC)[NH2+]C1CCC([N@H+](C)Cc2ccccc2)CC1 ZINC000353638955 456820298 /nfs/dbraw/zinc/82/02/98/456820298.db2.gz CPBQIXGXVNTXFF-GPJFCIFZSA-N 2 0 334.504 3.071 10 0 EGAERP Cn1cc([C@H]([NH2+]C2CCN(Cc3ccccn3)CC2)C(C)(C)C)cn1 ZINC000341317225 456843609 /nfs/dbraw/zinc/84/36/09/456843609.db2.gz VDHNLRLJHHWGOL-IBGZPJMESA-N 2 0 341.503 3.157 10 0 EGAERP CO[C@H](CC[NH2+][C@@H]1CCN([C@H](C)c2ccccc2)C1)C(F)(F)F ZINC000344866367 456868220 /nfs/dbraw/zinc/86/82/20/456868220.db2.gz OFSSDRXVPYRRHJ-FVQBIDKESA-N 2 0 330.394 3.379 10 0 EGAERP C[NH+](CCCCC[N@@H+](C)C[C@H]1CCCCO1)C[C@H]1CCCCO1 ZINC000354237259 457148265 /nfs/dbraw/zinc/14/82/65/457148265.db2.gz GCZRWGMJRLVAFC-RTBURBONSA-N 2 0 326.525 3.159 10 0 EGAERP CC[NH+]1CCN(c2ccc(C[NH2+][C@H](C)c3ccsc3)cn2)CC1 ZINC000360026502 457210420 /nfs/dbraw/zinc/21/04/20/457210420.db2.gz ZKALHOXMADHFST-OAHLLOKOSA-N 2 0 330.501 3.136 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2ccnn2-c2ccc(F)cc2)CC1 ZINC000354455095 457234099 /nfs/dbraw/zinc/23/40/99/457234099.db2.gz BXLJYLGOCPSURX-UHFFFAOYSA-N 2 0 330.451 3.221 10 0 EGAERP c1ccc(OCCCC[NH+]2CCC(OCC[NH+]3CCCC3)CC2)cc1 ZINC000342333998 457242279 /nfs/dbraw/zinc/24/22/79/457242279.db2.gz UDQTTYKXZDGETN-UHFFFAOYSA-N 2 0 346.515 3.422 10 0 EGAERP COc1cc2c(cc1C[NH2+]C1C[C@H]3CCC[C@@H](C1)[N@H+]3C)O[C@H](C)C2 ZINC000378948989 457414375 /nfs/dbraw/zinc/41/43/75/457414375.db2.gz NXXKBBDPGDQWEG-TZUVLKIQSA-N 2 0 330.472 3.124 10 0 EGAERP Cc1sccc1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397665331 457490495 /nfs/dbraw/zinc/49/04/95/457490495.db2.gz FSITYRPAIDGOAY-UHFFFAOYSA-N 2 0 330.497 3.173 10 0 EGAERP C[C@H]([NH2+]CCC[NH+]1CCCCC1)[C@@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000400597399 457519105 /nfs/dbraw/zinc/51/91/05/457519105.db2.gz VXQGYEWDUWPFMO-DLBZAZTESA-N 2 0 339.524 3.098 10 0 EGAERP C[C@]1(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@H]3C2)CCCN1Cc1ccccc1 ZINC000401148744 457523532 /nfs/dbraw/zinc/52/35/32/457523532.db2.gz OZGDXRJMZOAJLO-XRXFAXGQSA-N 2 0 327.516 3.019 10 0 EGAERP C[C@@H]1CCC[N@H+](CCCc2nc(-c3cccs3)no2)[C@@H]1CC[NH3+] ZINC000404440996 457544678 /nfs/dbraw/zinc/54/46/78/457544678.db2.gz URYSSDKSTNDVSL-ZIAGYGMSSA-N 2 0 334.489 3.180 10 0 EGAERP COc1cc(C[NH2+]C[C@@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000370172422 457574129 /nfs/dbraw/zinc/57/41/29/457574129.db2.gz KIQVGRSKJXNMJA-OAQYLSRUSA-N 2 0 340.467 3.403 10 0 EGAERP CC1=C(c2ccco2)C[N@H+](CCCN2CC[NH+](C(C)C)CC2)CC1 ZINC000374534605 457651009 /nfs/dbraw/zinc/65/10/09/457651009.db2.gz DZXILZGBNCBSLS-UHFFFAOYSA-N 2 0 331.504 3.175 10 0 EGAERP C([NH2+][C@H]1CC2CCC1CC2)C1(C[NH2+][C@H]2CC3CCC2CC3)COC1 ZINC000433067041 457749144 /nfs/dbraw/zinc/74/91/44/457749144.db2.gz JINLYFUSEUBMMK-RZXUBOOQSA-N 2 0 332.532 3.340 10 0 EGAERP COC1(C[C@@H](C)[NH2+]CC2CCN(Cc3nc(C)c(C)o3)CC2)CCC1 ZINC000365376979 457752078 /nfs/dbraw/zinc/75/20/78/457752078.db2.gz FYXLMORKXHOONJ-OAHLLOKOSA-N 2 0 349.519 3.441 10 0 EGAERP CCC1(C[NH2+]Cc2cnn(C)c2)CC[NH+](Cc2ccccc2)CC1 ZINC000371102814 457790753 /nfs/dbraw/zinc/79/07/53/457790753.db2.gz YDTVMHIFSNRKTE-UHFFFAOYSA-N 2 0 326.488 3.202 10 0 EGAERP C[C@@H](Cc1ccccc1)C[NH+]1CCC(C)(C[NH+]2CCN(C)CC2)CC1 ZINC000375405990 457919101 /nfs/dbraw/zinc/91/91/01/457919101.db2.gz URVPOOFVTZRXFS-FQEVSTJZSA-N 2 0 343.559 3.215 10 0 EGAERP C[C@H]([NH2+][C@@H](CCO)c1ccccc1)c1cccc(OCC[NH+](C)C)c1 ZINC000361887058 457930931 /nfs/dbraw/zinc/93/09/31/457930931.db2.gz BSQSZEHQSOAOKD-UWJYYQICSA-N 2 0 342.483 3.401 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000358555409 458073918 /nfs/dbraw/zinc/07/39/18/458073918.db2.gz AEOZPMFTVMAZMT-NJDAHSKKSA-N 2 0 342.527 3.429 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]21)[S@](C)=O ZINC000358566106 458081175 /nfs/dbraw/zinc/08/11/75/458081175.db2.gz IFWANRRZSDSPMY-DQDQTZLSSA-N 2 0 348.556 3.034 10 0 EGAERP CCOc1c(C[NH+]2CCC(c3c[nH]cn3)CC2)c(C)nn1CC(C)C ZINC000376492084 458316919 /nfs/dbraw/zinc/31/69/19/458316919.db2.gz OOFKQRKOMJQQQL-UHFFFAOYSA-N 2 0 345.491 3.349 10 0 EGAERP C[NH+](C)CCOCC[NH2+][C@H](c1ccc(Br)cc1)C1CC1 ZINC000447599947 458318882 /nfs/dbraw/zinc/31/88/82/458318882.db2.gz KZRKZFKSQQYDFF-INIZCTEOSA-N 2 0 341.293 3.068 10 0 EGAERP c1nc(C2CC2)ncc1CN1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000459335291 458333540 /nfs/dbraw/zinc/33/35/40/458333540.db2.gz HZLSPVOCVJOROT-QGZVFWFLSA-N 2 0 328.504 3.442 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(C2CC2)c1 ZINC000423515448 458448940 /nfs/dbraw/zinc/44/89/40/458448940.db2.gz VMVJPLUAHLMSNR-YMTQGWHGSA-N 2 0 327.516 3.431 10 0 EGAERP C[C@@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cnc2ccsc2c1 ZINC000423526405 458451082 /nfs/dbraw/zinc/45/10/82/458451082.db2.gz ZGZOXYRUODIOMP-ODIFPOPNSA-N 2 0 344.528 3.163 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CC[C@H]2CCC[N@H+](C)C2)cc1NC(C)=O ZINC000459746970 458467691 /nfs/dbraw/zinc/46/76/91/458467691.db2.gz ZIYMFDPSIWEDMV-GDBMZVCRSA-N 2 0 333.476 3.036 10 0 EGAERP Cc1cc(Cl)ccc1CN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000468400555 458515058 /nfs/dbraw/zinc/51/50/58/458515058.db2.gz YAWPYQPRSVOVPI-IBGZPJMESA-N 2 0 335.923 3.250 10 0 EGAERP C[NH+](C)CC1CCC(NC(=O)CC[C@@H]([NH3+])CC2CCCCC2)CC1 ZINC000424191971 458580953 /nfs/dbraw/zinc/58/09/53/458580953.db2.gz OICUHRYXSMRALJ-JLAWEPINSA-N 2 0 337.552 3.301 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1CCC(=O)NC[C@H](c1cccs1)[NH+]1CCCC1 ZINC000431572598 458590314 /nfs/dbraw/zinc/59/03/14/458590314.db2.gz XECZKFMBRLBSQH-IAGOWNOFSA-N 2 0 349.544 3.266 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@H+](C(C)(C)CNC(=O)CC[C@H]2CCCC[NH+]2C)C1 ZINC000431749544 458616957 /nfs/dbraw/zinc/61/69/57/458616957.db2.gz LDGJAFHFFLSFKV-FGTMMUONSA-N 2 0 337.552 3.124 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3CCC[C@H](N[C@H]4CC[NH2+]C45CCC5)[C@@H]3C2)cc1 ZINC000530215500 458719238 /nfs/dbraw/zinc/71/92/38/458719238.db2.gz GQZPCCFNESNERN-WOZUAGRISA-N 3 0 339.527 3.161 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H]1CCC[C@H]([C@H]2CCOC2)C1 ZINC000464058940 458729690 /nfs/dbraw/zinc/72/96/90/458729690.db2.gz MMUIZNUTWCZENI-YSIASYRMSA-N 2 0 346.515 3.312 10 0 EGAERP C[N@@H+]1CCC[C@@H](C[NH2+][C@H]2CCCc3ncc(C(F)(F)F)cc32)C1 ZINC000547653952 458769586 /nfs/dbraw/zinc/76/95/86/458769586.db2.gz IUAIORFSUITEGF-WFASDCNBSA-N 2 0 327.394 3.409 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1N[C@@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518183565 458847043 /nfs/dbraw/zinc/84/70/43/458847043.db2.gz HXUOYPCEIZYGMC-QFUCXCTJSA-N 2 0 339.527 3.256 10 0 EGAERP C[C@@H]1C[N@@H+](C2CC2)C[C@H]1N[C@H]1CC[NH+](Cc2ccccc2)C2(CC2)C1 ZINC000518183568 458847723 /nfs/dbraw/zinc/84/77/23/458847723.db2.gz HXUOYPCEIZYGMC-SLYNCCJLSA-N 2 0 339.527 3.256 10 0 EGAERP C[C@@H]1CC[N@H+](CCN[C@@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533410 458875740 /nfs/dbraw/zinc/87/57/40/458875740.db2.gz YVYPGTDXDAUISB-UYAOXDASSA-N 2 0 327.516 3.115 10 0 EGAERP CC(C)C[C@@H](C[NH2+][C@@H](C)CCN1CC[NH+](C)CC1)c1ccccc1 ZINC000474923640 458906165 /nfs/dbraw/zinc/90/61/65/458906165.db2.gz HCBSPTPGDUZKMH-FPOVZHCZSA-N 2 0 331.548 3.432 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1CN[C@H]1CC[NH+](Cc2ccccc2)C[C@@H]1C ZINC000556920977 459032417 /nfs/dbraw/zinc/03/24/17/459032417.db2.gz RNXIUZQYFBQDPQ-JBACZVJFSA-N 3 0 329.532 3.361 10 0 EGAERP C[C@H]([NH3+])[C@@H](Cc1ccccc1)NC[C@H]1CSc2ccccc2O1 ZINC000577611566 459060815 /nfs/dbraw/zinc/06/08/15/459060815.db2.gz MRQITVUXVRPTIE-BHYGNILZSA-N 2 0 328.481 3.088 10 0 EGAERP C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000532448107 459090971 /nfs/dbraw/zinc/09/09/71/459090971.db2.gz MQQOAPMAQIYDAF-DYESRHJHSA-N 2 0 329.532 3.491 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1Cc1nc(-c2ccc(F)c(C[NH+](C)C)c2)no1 ZINC000443228016 459101257 /nfs/dbraw/zinc/10/12/57/459101257.db2.gz YFMZXTVLZPMEEU-STQMWFEESA-N 2 0 332.423 3.310 10 0 EGAERP C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2Cc2cnc(-c3ccncc3)s2)C1 ZINC000558423827 459157645 /nfs/dbraw/zinc/15/76/45/459157645.db2.gz PHIMKLAEMYCBHS-NVXWUHKLSA-N 2 0 328.485 3.121 10 0 EGAERP CSCC1CCC([NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)CC1 ZINC000595067584 459234809 /nfs/dbraw/zinc/23/48/09/459234809.db2.gz GEKOZHUJHJMTMU-SOAGJPPSSA-N 2 0 348.556 3.265 10 0 EGAERP C[N@@H+]1CCN(CC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1(C)C ZINC000568819272 459348143 /nfs/dbraw/zinc/34/81/43/459348143.db2.gz JTUBILXEMVODMB-UHFFFAOYSA-N 2 0 331.548 3.142 10 0 EGAERP CC(C)C[C@H]1CCCCC[N@@H+]1CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000524620183 459376133 /nfs/dbraw/zinc/37/61/33/459376133.db2.gz YLZGWDQBSGOJFZ-LJQANCHMSA-N 2 0 335.536 3.020 10 0 EGAERP C[NH+](C)CC(C)(C)CN[C@@H]1CC[N@H+](Cc2ccccc2)C2(CC2)C1 ZINC000582904331 459449544 /nfs/dbraw/zinc/44/95/44/459449544.db2.gz MVGVHOWXXICTJI-LJQANCHMSA-N 2 0 329.532 3.361 10 0 EGAERP CCC(C)(C)[NH2+][C@H](C)C(=O)NC[C@@H]1CCCC[N@@H+]1Cc1ccccc1 ZINC000541575042 459469276 /nfs/dbraw/zinc/46/92/76/459469276.db2.gz SGRWICGTZVUAMO-MJGOQNOKSA-N 2 0 345.531 3.324 10 0 EGAERP CC(C)C[NH+]1CCC([NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000562986565 459687385 /nfs/dbraw/zinc/68/73/85/459687385.db2.gz MMVMYYWKSBBFBF-IBGZPJMESA-N 2 0 348.531 3.260 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+][C@H]2CCCC23CCCCC3)CC[NH2+]CC1 ZINC000596648913 459713770 /nfs/dbraw/zinc/71/37/70/459713770.db2.gz BECWSDMSRCBOEB-IRXDYDNUSA-N 2 0 336.520 3.400 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H]2CCCC23CCCCC3)CC[NH2+]CC1 ZINC000596648912 459714134 /nfs/dbraw/zinc/71/41/34/459714134.db2.gz BECWSDMSRCBOEB-IAGOWNOFSA-N 2 0 336.520 3.400 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]Cc2cc3c(cc2OC)C[C@H](C)O3)CC1 ZINC000596675057 459724022 /nfs/dbraw/zinc/72/40/22/459724022.db2.gz PCQXDMIGKSQKRT-HNNXBMFYSA-N 2 0 332.488 3.230 10 0 EGAERP C[C@H]1CCCC[C@@H]1[NH+]1CCC([NH2+]CC(C)(C)C(=O)N2CCCC2)CC1 ZINC000528011719 459796111 /nfs/dbraw/zinc/79/61/11/459796111.db2.gz IXJFMBOBIQRGFF-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)Nc1cnn(-c2cc[nH+]cc2)c1)c1ccccc1 ZINC000596968667 459806645 /nfs/dbraw/zinc/80/66/45/459806645.db2.gz AUXZYAZQSCOUPH-IBGZPJMESA-N 2 0 349.438 3.289 10 0 EGAERP c1nc2ccccc2n1C[C@@H]1CCC[N@@H+]1Cc1ccc2c(c1)C[NH2+]CC2 ZINC000574577530 459836181 /nfs/dbraw/zinc/83/61/81/459836181.db2.gz ARUMHRVVDMNELF-FQEVSTJZSA-N 2 0 346.478 3.347 10 0 EGAERP C[C@@H]([NH2+]CCC1(C[NH3+])CC1)c1ccc(I)cc1 ZINC000593321001 459840500 /nfs/dbraw/zinc/84/05/00/459840500.db2.gz WIDWQJFKERULQA-LLVKDONJSA-N 2 0 344.240 3.071 10 0 EGAERP COC(=O)c1cc(CN2CCC[C@@H](C[N@@H+]3CCCC[C@H]3C)C2)c(C)o1 ZINC000609613903 459994741 /nfs/dbraw/zinc/99/47/41/459994741.db2.gz PYQIRRRWGAKXIW-NVXWUHKLSA-N 2 0 348.487 3.461 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)NCC[NH+]2[C@H](C)CCC[C@H]2C)o1 ZINC000593870615 460007928 /nfs/dbraw/zinc/00/79/28/460007928.db2.gz UHDFDTLQXPZRLP-HZPDHXFCSA-N 2 0 335.492 3.114 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc(C(F)(F)F)cc2)CCC1 ZINC000622043693 460167847 /nfs/dbraw/zinc/16/78/47/460167847.db2.gz IBJQMLZJQKDMPU-HNNXBMFYSA-N 2 0 330.394 3.428 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)CC1(C)C ZINC000623374395 460515665 /nfs/dbraw/zinc/51/56/65/460515665.db2.gz DANIAOUUGWBDJQ-SFHVURJKSA-N 2 0 334.479 3.336 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)CC1(C)C ZINC000623385606 460521509 /nfs/dbraw/zinc/52/15/09/460521509.db2.gz TZTIKFLURFJPKP-INIZCTEOSA-N 2 0 332.488 3.198 10 0 EGAERP CC(C)Oc1ccc([C@H]2CCC[C@H]2[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629388608 460746348 /nfs/dbraw/zinc/74/63/48/460746348.db2.gz PVMVYDZOXYSXBD-RTBURBONSA-N 2 0 332.488 3.207 10 0 EGAERP C[C@H]([NH2+]CC1([NH3+])CCOCC1)[C@H](C)Oc1ccc(Cl)cc1Cl ZINC000629521710 460794092 /nfs/dbraw/zinc/79/40/92/460794092.db2.gz RUXWTIAOXCXDJQ-RYUDHWBXSA-N 2 0 347.286 3.247 10 0 EGAERP C/C=C\COc1ccc(CC[C@H](C)[NH2+]CC2([NH3+])CCOCC2)cc1 ZINC000629521417 460794297 /nfs/dbraw/zinc/79/42/97/460794297.db2.gz PFFKKLFGZFUWFU-LIMHQNJXSA-N 2 0 332.488 3.060 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H](C)c1sc(-c2ccc(OC)cc2)nc1C ZINC000629528823 460797247 /nfs/dbraw/zinc/79/72/47/460797247.db2.gz KKBBHKOCTABIAN-ZDUSSCGKSA-N 2 0 349.500 3.014 10 0 EGAERP Fc1c(Br)ccc(C[NH2+][C@@H]2CC[C@@H]3C[NH2+]C[C@@H]3C2)c1F ZINC000629532391 460797951 /nfs/dbraw/zinc/79/79/51/460797951.db2.gz YPYHLTXJUBADRQ-ADEWGFFLSA-N 2 0 345.231 3.205 10 0 EGAERP CC(C)CCO[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2[C@H]2CCC[NH2+]2)CC1 ZINC000629531654 460798091 /nfs/dbraw/zinc/79/80/91/460798091.db2.gz STTIVVDRHMZBEK-WKWVNEEDSA-N 2 0 338.536 3.107 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CC[C@H](c2ccc(C(F)(F)F)cc2)C1 ZINC000629530562 460798101 /nfs/dbraw/zinc/79/81/01/460798101.db2.gz JWIFDALBUVIKSB-GOEBONIOSA-N 2 0 330.394 3.167 10 0 EGAERP Cc1ccc(SCC[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)cc1C ZINC000629590536 460817614 /nfs/dbraw/zinc/81/76/14/460817614.db2.gz NLPMFKLXJXFCTB-LJQANCHMSA-N 2 0 348.556 3.486 10 0 EGAERP C[NH2+]CCOCC[N@H+](C)Cc1cc(-c2ccccc2C)ccc1OC ZINC000629654456 460849584 /nfs/dbraw/zinc/84/95/84/460849584.db2.gz RBWDRQIVEOALHY-UHFFFAOYSA-N 2 0 342.483 3.338 10 0 EGAERP CCC[C@@H]1C[N@H+](Cc2ccccc2)C[C@H]1c1nc(C[C@H](C)[NH2+]C)no1 ZINC000629676405 460862604 /nfs/dbraw/zinc/86/26/04/460862604.db2.gz SIMVJRWAHCQYQF-CGTJXYLNSA-N 2 0 342.487 3.236 10 0 EGAERP CC(C)CC[C@@H](CO)[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000624111230 460865124 /nfs/dbraw/zinc/86/51/24/460865124.db2.gz QDOQKGZCHZSPEH-NQIIRXRSSA-N 2 0 332.532 3.469 10 0 EGAERP c1ccc([C@@H]2C[N@@H+](C[C@H]3CCC4(C[NH2+]C4)O3)Cc3ccccc32)cc1 ZINC000662249273 461141977 /nfs/dbraw/zinc/14/19/77/461141977.db2.gz RXKBRGKDTSZVLB-CTNGQTDRSA-N 2 0 334.463 3.155 10 0 EGAERP Clc1ccc(CC[N@H+](CC2CC2)C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662254102 461145215 /nfs/dbraw/zinc/14/52/15/461145215.db2.gz FKNKHMRQVUCJGJ-GOSISDBHSA-N 2 0 334.891 3.116 10 0 EGAERP Cc1cccc(C)c1OCC[N@@H+]1CCCC[C@@H]1[C@@H]1C[C@@H]([NH3+])CCO1 ZINC000652363787 461157488 /nfs/dbraw/zinc/15/74/88/461157488.db2.gz NLEOOFIYVOJKFB-OTWHNJEPSA-N 2 0 332.488 3.043 10 0 EGAERP CSc1cccc(NC(=O)C[N@@H+]2CCC[C@@H](C3CC[NH2+]CC3)C2)c1 ZINC000662293672 461172062 /nfs/dbraw/zinc/17/20/62/461172062.db2.gz HXKCJAUZUYONPD-MRXNPFEDSA-N 2 0 347.528 3.059 10 0 EGAERP c1cc(C[N@@H+]2CC3(CCC3)[C@H]2C2CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000668252264 461208695 /nfs/dbraw/zinc/20/86/95/461208695.db2.gz ZQGLVNAZPRNVDO-LJQANCHMSA-N 2 0 338.455 3.048 10 0 EGAERP C[C@@H]1C[C@H](C)C[N@@H+](CCCCNC(=O)C[C@@H]2[NH2+]Cc3ccccc32)C1 ZINC000662387996 461228573 /nfs/dbraw/zinc/22/85/73/461228573.db2.gz YFRQQLVRUPWHEJ-QKLQHJQFSA-N 2 0 343.515 3.095 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@@H]1[NH2+]Cc2ccccc21)[NH+]1CCC(C)CC1 ZINC000659292440 461278700 /nfs/dbraw/zinc/27/87/00/461278700.db2.gz PLKCYFCXMZKIFN-PMACEKPBSA-N 2 0 343.515 3.094 10 0 EGAERP Clc1ccc(CC[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000668442040 461283169 /nfs/dbraw/zinc/28/31/69/461283169.db2.gz ZFPOABVQHMKZCS-UHFFFAOYSA-N 2 0 336.907 3.363 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC(O)(C2CC2)C2CC2)CC1 ZINC000668619637 461356702 /nfs/dbraw/zinc/35/67/02/461356702.db2.gz MZDMZCAJXJMHPN-QGZVFWFLSA-N 2 0 342.527 3.223 10 0 EGAERP C[C@@H]1CC[C@@H]([NH2+]Cc2ccccc2C[NH+]2CCC(O)CC2)CS1 ZINC000655719656 461389731 /nfs/dbraw/zinc/38/97/31/461389731.db2.gz USUUXQCUTMPQLD-CRAIPNDOSA-N 2 0 334.529 3.017 10 0 EGAERP Cc1ccc(NC(=O)C[C@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655805793 461465012 /nfs/dbraw/zinc/46/50/12/461465012.db2.gz LMBQYQUSNPQZDR-OFQRWUPVSA-N 2 0 337.895 3.295 10 0 EGAERP Cn1ccc([C@@H]([NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c2ccc(Cl)cc2)n1 ZINC000655805482 461465815 /nfs/dbraw/zinc/46/58/15/461465815.db2.gz OGRZELBOKHGRGV-XCRHUMRWSA-N 2 0 332.879 3.093 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)cc1Cl ZINC000655805792 461465853 /nfs/dbraw/zinc/46/58/53/461465853.db2.gz LMBQYQUSNPQZDR-FMKPAKJESA-N 2 0 337.895 3.295 10 0 EGAERP Cc1ccc(NC(=O)C[C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)c(Cl)c1 ZINC000655805762 461466601 /nfs/dbraw/zinc/46/66/01/461466601.db2.gz KWJAGVSXTLTKNB-KFWWJZLASA-N 2 0 337.895 3.295 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(-n3cnc4ccccc43)cc2)C1 ZINC000655826998 461481834 /nfs/dbraw/zinc/48/18/34/461481834.db2.gz LQZMGKUKJFNEAD-IZAXUBKRSA-N 2 0 334.467 3.455 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+][C@H]2C[C@H](OC(C)(C)C)C2)[C@H](C)C1 ZINC000655838672 461488708 /nfs/dbraw/zinc/48/87/08/461488708.db2.gz HFWWVZVMNXYTTA-TVFCKZIOSA-N 2 0 326.525 3.059 10 0 EGAERP C[C@H]1C[C@@H](C(=O)Nc2ccc(SCC[NH+]3CCCC3)cc2)CC[NH2+]1 ZINC000653253286 461591232 /nfs/dbraw/zinc/59/12/32/461591232.db2.gz NTZHMXOKEALNKR-HOTGVXAUSA-N 2 0 347.528 3.201 10 0 EGAERP CO[C@H](C[N@H+](C)CCC1CCN(c2cc[nH+]cc2)CC1)C1CCC1 ZINC000660165824 461617755 /nfs/dbraw/zinc/61/77/55/461617755.db2.gz HRCPEVBPWCLSOB-HXUWFJFHSA-N 2 0 331.504 3.435 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000631256773 461677393 /nfs/dbraw/zinc/67/73/93/461677393.db2.gz XEVVPJFIAJZTTF-MOPGFXCFSA-N 2 0 326.444 3.013 10 0 EGAERP COc1cccc(-c2n[nH]cc2C[NH2+]Cc2ccc([C@H](C)[NH3+])cc2)c1 ZINC000666755332 461791229 /nfs/dbraw/zinc/79/12/29/461791229.db2.gz PZSAYCHBDRPUAU-AWEZNQCLSA-N 2 0 336.439 3.395 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CC[C@@H]4C[NH2+]C[C@@H]4C3)c2)C[C@@H](C)O1 ZINC000647792289 461836552 /nfs/dbraw/zinc/83/65/52/461836552.db2.gz YNGNGXCOCAGXMO-HGNHLGAKSA-N 2 0 343.515 3.096 10 0 EGAERP [NH3+]CC1(CC[NH2+]Cc2cc(Cl)ccc2OC[C@@H]2CCCO2)CC1 ZINC000650713218 461907254 /nfs/dbraw/zinc/90/72/54/461907254.db2.gz KCNNFFLLRSXNFD-INIZCTEOSA-N 2 0 338.879 3.116 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+]Cc1cc(Cl)c2c(c1)OCCO2 ZINC000650718455 461909763 /nfs/dbraw/zinc/90/97/63/461909763.db2.gz NFXASMJOJFJRPN-UHFFFAOYSA-N 2 0 332.831 3.120 10 0 EGAERP COc1ccc([C@@H](C)[NH2+]CCC2(C[NH3+])CC2)c(Br)c1 ZINC000650745563 461929065 /nfs/dbraw/zinc/92/90/65/461929065.db2.gz JPSCDBWUKBJQCH-LLVKDONJSA-N 2 0 327.266 3.237 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CCC1CC[NH2+]CC1 ZINC000650764045 461942606 /nfs/dbraw/zinc/94/26/06/461942606.db2.gz PCNOTMJCPZAKGK-LBPRGKRZSA-N 2 0 343.284 3.499 10 0 EGAERP CC[N@H+](CCC1CCN(Cc2cncnc2OC)CC1)CC(C)C ZINC000648035497 461952234 /nfs/dbraw/zinc/95/22/34/461952234.db2.gz FMXZQMXDIOGLIM-UHFFFAOYSA-N 2 0 334.508 3.065 10 0 EGAERP C[C@@H]1C[NH+](Cc2ccccc2)C[C@@H](C)C1[NH2+]Cc1cc[nH]c(=O)c1 ZINC000639579010 462000157 /nfs/dbraw/zinc/00/01/57/462000157.db2.gz AJYHDFUVBPJBOL-HZPDHXFCSA-N 2 0 325.456 3.033 10 0 EGAERP c1cc(C[NH2+]CC2(c3ccccc3)CCOCC2)n(-c2cc[nH+]cc2)n1 ZINC000657308805 462032770 /nfs/dbraw/zinc/03/27/70/462032770.db2.gz YDRRMXPTVTVYFW-UHFFFAOYSA-N 2 0 348.450 3.105 10 0 EGAERP CCCCOc1ncccc1CNCc1ccnn1-c1cc[nH+]cc1 ZINC000657329890 462050422 /nfs/dbraw/zinc/05/04/22/462050422.db2.gz GILQJLIBJOYTIG-UHFFFAOYSA-N 2 0 337.427 3.131 10 0 EGAERP C[C@H](C[NH2+]Cc1cccc(C2CCCC2)c1)CN1CC[NH+](C)CC1 ZINC000657346950 462062115 /nfs/dbraw/zinc/06/21/15/462062115.db2.gz ROLUUPOAIYULCO-GOSISDBHSA-N 2 0 329.532 3.317 10 0 EGAERP COc1ccc(C[C@H](C)C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)cc1 ZINC000657419266 462111297 /nfs/dbraw/zinc/11/12/97/462111297.db2.gz LIHRIORPINMXBX-INIZCTEOSA-N 2 0 336.439 3.244 10 0 EGAERP CCC(CC)[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)CCO1 ZINC000657429103 462116643 /nfs/dbraw/zinc/11/66/43/462116643.db2.gz PFOCNBOCIVDQJU-QFBILLFUSA-N 2 0 328.460 3.341 10 0 EGAERP CC[NH+]1CCC(C[NH2+]C2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)CC1 ZINC000648448124 462123088 /nfs/dbraw/zinc/12/30/88/462123088.db2.gz BILAJCXQRNUQJN-IBGZPJMESA-N 3 0 343.559 3.404 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccc(Oc3ccc(F)cc3)nc2)C1 ZINC000657504451 462159304 /nfs/dbraw/zinc/15/93/04/462159304.db2.gz IICHKZHSVFNSRN-WOVMCDHWSA-N 2 0 329.419 3.443 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]CC1CCC(C(F)(F)F)CC1 ZINC000657573584 462187173 /nfs/dbraw/zinc/18/71/73/462187173.db2.gz QLYHRZZJWGYHHA-FHERZECASA-N 2 0 337.474 3.217 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+]Cc1cccc(-c2ccccn2)c1 ZINC000657573069 462187380 /nfs/dbraw/zinc/18/73/80/462187380.db2.gz JEOLBPLNSDNICM-SFHVURJKSA-N 2 0 340.515 3.110 10 0 EGAERP CCCc1ccc(C[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)cc1 ZINC000657593898 462194568 /nfs/dbraw/zinc/19/45/68/462194568.db2.gz CFMYOWRZRPRGJN-JOCHJYFZSA-N 2 0 338.495 3.496 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+]Cc3ccc4cnccc4c3)cc2)C1 ZINC000657597269 462199160 /nfs/dbraw/zinc/19/91/60/462199160.db2.gz RXNVRJFVVRMEJD-JOCHJYFZSA-N 2 0 347.462 3.091 10 0 EGAERP c1nc(-c2ccccn2)sc1C[NH2+]CC1CC[NH+](CC2CC2)CC1 ZINC000657813448 462279763 /nfs/dbraw/zinc/27/97/63/462279763.db2.gz OQKRIJYQXLEMKA-UHFFFAOYSA-N 2 0 342.512 3.417 10 0 EGAERP C[NH+](C)CCN1CCC([NH2+][C@@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651675004 462299227 /nfs/dbraw/zinc/29/92/27/462299227.db2.gz HKBISSPMJQPNRT-MRXNPFEDSA-N 2 0 339.886 3.082 10 0 EGAERP C[C@@H]([NH2+]Cc1ccnc(OCC[NH+](C)C)c1)c1cc2cnccc2o1 ZINC000657934773 462322273 /nfs/dbraw/zinc/32/22/73/462322273.db2.gz GUNFARZXZNABLQ-CQSZACIVSA-N 2 0 340.427 3.014 10 0 EGAERP C[C@H](CCN1CC[NH+](C)CC1)[NH2+][C@@H]1CCc2ccc(F)c(Cl)c21 ZINC000651765448 462329663 /nfs/dbraw/zinc/32/96/63/462329663.db2.gz RNOMZKOHJNWFPL-CZUORRHYSA-N 2 0 339.886 3.082 10 0 EGAERP C[C@H]1Cc2ccccc2[C@@H]1[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658068101 462366318 /nfs/dbraw/zinc/36/63/18/462366318.db2.gz UGUQAWWKWZREGO-HRAATJIYSA-N 2 0 328.500 3.401 10 0 EGAERP COc1cccc([C@H](C)[NH2+]CC2CC[NH+](C3CCOCC3)CC2)c1 ZINC000658068593 462366370 /nfs/dbraw/zinc/36/63/70/462366370.db2.gz GQXGKTNNBUXEPH-INIZCTEOSA-N 2 0 332.488 3.237 10 0 EGAERP CCC1(CC)[C@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)C[C@@H]1OC ZINC000658068325 462366749 /nfs/dbraw/zinc/36/67/49/462366749.db2.gz WDFCOKIIIUIKGB-MOPGFXCFSA-N 2 0 338.536 3.061 10 0 EGAERP CC[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1ccc(F)cn1 ZINC000658071192 462367837 /nfs/dbraw/zinc/36/78/37/462367837.db2.gz VTCAHGZGZQTWED-GOSISDBHSA-N 2 0 335.467 3.152 10 0 EGAERP Nc1ccc2c(c1)CC[C@@H]2[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000665273210 462378659 /nfs/dbraw/zinc/37/86/59/462378659.db2.gz RQLRFOLUQUJEQE-ZVDOUQERSA-N 2 0 335.451 3.102 10 0 EGAERP C[C@@H]1CC[NH2+]CC[C@H]1[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665276946 462379506 /nfs/dbraw/zinc/37/95/06/462379506.db2.gz POFCXAYCOLEAEA-HLAWJBBLSA-N 3 0 341.543 3.266 10 0 EGAERP C[C@@H](NC[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCCC[NH2+]1 ZINC000665277266 462381800 /nfs/dbraw/zinc/38/18/00/462381800.db2.gz XWUWDBWZBWHBRH-HLAWJBBLSA-N 2 0 341.543 3.409 10 0 EGAERP CCCc1ccc([C@@H](C)[NH2+]C2CCN(C(=O)CCC[NH2+]C)CC2)cc1 ZINC000665285248 462384269 /nfs/dbraw/zinc/38/42/69/462384269.db2.gz HPCLKFNPJFOVKQ-QGZVFWFLSA-N 2 0 345.531 3.280 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000665289702 462387558 /nfs/dbraw/zinc/38/75/58/462387558.db2.gz VEQMUFZNZARMBF-PKOBYXMFSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)C2(CCC2)CO1 ZINC000651975580 462397325 /nfs/dbraw/zinc/39/73/25/462397325.db2.gz HLEZNQDAXRFLJV-SFHVURJKSA-N 2 0 344.499 3.305 10 0 EGAERP Cc1cc([C@@H](C)[NH2+]Cc2ccc(C[N@@H+]3CC[C@@H](O)C3)cc2)oc1C ZINC000658137179 462400260 /nfs/dbraw/zinc/40/02/60/462400260.db2.gz JMNOWEFPWBPLQD-DNVCBOLYSA-N 2 0 328.456 3.314 10 0 EGAERP CC[C@@H](Cc1cccs1)[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658136613 462400948 /nfs/dbraw/zinc/40/09/48/462400948.db2.gz DOHZJGBFIGYCHO-RBUKOAKNSA-N 2 0 344.524 3.426 10 0 EGAERP CC1(C)OCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658316816 462473898 /nfs/dbraw/zinc/47/38/98/462473898.db2.gz HKSZLBBBOLEEDM-MOPGFXCFSA-N 2 0 328.500 3.446 10 0 EGAERP CCC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[NH+](C)C ZINC000154935338 527977542 /nfs/dbraw/zinc/97/75/42/527977542.db2.gz RSSPWAOZLUJXST-RAFMOHDBSA-N 2 0 343.515 3.029 10 0 EGAERP C[N@H+](CCN1CC[NH+](C)CC12CCCCC2)Cc1ccc(F)cc1 ZINC000181734740 547073860 /nfs/dbraw/zinc/07/38/60/547073860.db2.gz OOOWMIHSCXPDAY-UHFFFAOYSA-N 2 0 333.495 3.208 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CCN1CC[NH+]([C@@H]2CCc3ccccc32)CC1 ZINC000682068693 550067694 /nfs/dbraw/zinc/06/76/94/550067694.db2.gz FAFDBHROPOKTIR-LVCYWYKZSA-N 2 0 327.516 3.164 10 0 EGAERP c1ccc2c(c1)CC[C@H]2[NH+]1CCC(CCC[NH+]2CCOCC2)CC1 ZINC000682073431 550069467 /nfs/dbraw/zinc/06/94/67/550069467.db2.gz ACZRNQBKJAKDFH-OAQYLSRUSA-N 2 0 328.500 3.498 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+]C[C@@]2(O)CCCC(C)(C)C2)cc1 ZINC000682088891 550072613 /nfs/dbraw/zinc/07/26/13/550072613.db2.gz YMIUAWCHQDRLPH-HXUWFJFHSA-N 2 0 334.504 3.048 10 0 EGAERP CO[C@@H]1CCC[C@@H]([NH2+]CCCC[NH+]2CCN(c3ccccc3)CC2)C1 ZINC000684371184 550321259 /nfs/dbraw/zinc/32/12/59/550321259.db2.gz MEIJOITXYCYQLP-TZIWHRDSSA-N 2 0 345.531 3.136 10 0 EGAERP Cc1cc([C@H]([NH2+]CC(C)(C)N2CC[NH+](C)CC2)C2CC2)ccc1F ZINC000678682602 576168989 /nfs/dbraw/zinc/16/89/89/576168989.db2.gz BPHNFGGFNPFNEB-LJQANCHMSA-N 2 0 333.495 3.201 10 0 EGAERP COc1ccc2cc([C@H]3C[N@H+](CC4CC[NH2+]CC4)CCO3)ccc2c1 ZINC000071404240 1292268154 /nfs/dbraw/zinc/26/81/54/1292268154.db2.gz DHJIGQBOXREPPK-OAQYLSRUSA-N 2 0 340.467 3.221 10 0 EGAERP Cc1cc(C)c(C[NH2+]C2CCN(C3CC[NH+](C)CC3)CC2)cc1C ZINC000126055623 1293523930 /nfs/dbraw/zinc/52/39/30/1293523930.db2.gz AAXOXVGJHJGVDD-UHFFFAOYSA-N 2 0 329.532 3.260 10 0 EGAERP O=C(CCC12CC(C1)C[NH2+]2)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000870864699 1296119803 /nfs/dbraw/zinc/11/98/03/1296119803.db2.gz JQRZTAMCSSFVJH-UHFFFAOYSA-N 2 0 327.472 3.143 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H]2CCC[C@H]2O1)c1ccc(OCC[NH+](C)C)cc1 ZINC000872109640 1296734562 /nfs/dbraw/zinc/73/45/62/1296734562.db2.gz PIWUTCZZWNCZTO-MFHCWRBVSA-N 2 0 332.488 3.235 10 0 EGAERP Cc1nccnc1[C@@H](C)[NH2+][C@@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000872131870 1296754281 /nfs/dbraw/zinc/75/42/81/1296754281.db2.gz AQLZQOAEVCRRLA-GOEBONIOSA-N 2 0 328.460 3.137 10 0 EGAERP Cc1nccnc1[C@@H](C)[NH2+][C@H](C)c1cccc(OCC[NH+](C)C)c1 ZINC000872131868 1296755650 /nfs/dbraw/zinc/75/56/50/1296755650.db2.gz AQLZQOAEVCRRLA-GDBMZVCRSA-N 2 0 328.460 3.137 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CCCCCC[NH3+])c1ccc2ccccc2c1 ZINC000872154770 1296772793 /nfs/dbraw/zinc/77/27/93/1296772793.db2.gz AFJDOJRZFYAOCS-QGZVFWFLSA-N 2 0 341.499 3.468 10 0 EGAERP C[C@H](C(=O)N1CCC[C@H]1c1cccs1)[N@H+](C)CCCCCC[NH3+] ZINC000872154865 1296773171 /nfs/dbraw/zinc/77/31/71/1296773171.db2.gz CRSZXFUDVHGJCW-CVEARBPZSA-N 2 0 337.533 3.251 10 0 EGAERP Cc1cccc(Cl)c1NC(=O)[C@@H](C)[N@H+](C)CCCCCC[NH3+] ZINC000872155996 1296776246 /nfs/dbraw/zinc/77/62/46/1296776246.db2.gz CCKPOHHMZSLNTE-CQSZACIVSA-N 2 0 325.884 3.426 10 0 EGAERP [NH3+][C@H](C[C@H]1CCC[N@H+](CCC(=O)Nc2cccnc2)C1)C1CCCC1 ZINC000872158076 1296780927 /nfs/dbraw/zinc/78/09/27/1296780927.db2.gz SJMYABJESUGZAW-VQIMIIECSA-N 2 0 344.503 3.030 10 0 EGAERP C(=C\[C@H]1CCC[NH2+]C1)\c1nc(-c2ccc(C[NH+]3CCCC3)cc2)no1 ZINC000872172248 1296795001 /nfs/dbraw/zinc/79/50/01/1296795001.db2.gz BIRYEERJBAKCJN-BSDKJSHOSA-N 2 0 338.455 3.345 10 0 EGAERP CC[NH+](CC)CCC[C@H](C)[NH2+]C[C@@H]1CCCN1C(=O)OC(C)(C)C ZINC000310046866 1297084372 /nfs/dbraw/zinc/08/43/72/1297084372.db2.gz INAFJHJPBJSHHG-IRXDYDNUSA-N 2 0 341.540 3.486 10 0 EGAERP C[C@@H]1C[C@H](N2CCC[C@@]3(CCC[NH2+]C3)C2)C[N@@H+]1Cc1ccccc1 ZINC000310185135 1297091243 /nfs/dbraw/zinc/09/12/43/1297091243.db2.gz VTSBECGVIPHYJD-HLAWJBBLSA-N 2 0 327.516 3.115 10 0 EGAERP c1ccc(C[NH+]2CCC(N3CC[NH2+]C[C@H]3c3ccccc3)CC2)cc1 ZINC000313383481 1297121920 /nfs/dbraw/zinc/12/19/20/1297121920.db2.gz QNEYXDRNJYLXGK-QFIPXVFZSA-N 2 0 335.495 3.298 10 0 EGAERP Brc1ccc(C[NH+]2CCC3(CC[NH2+]CC3)CC2)s1 ZINC000385055805 1297582015 /nfs/dbraw/zinc/58/20/15/1297582015.db2.gz PIPZHPCPJRRLFT-UHFFFAOYSA-N 2 0 329.307 3.476 10 0 EGAERP C[C@@H]1CCCC[C@H]1C[NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1 ZINC000397588436 1297701372 /nfs/dbraw/zinc/70/13/72/1297701372.db2.gz KQUDWFGRBXPCIC-QUCCMNQESA-N 2 0 330.516 3.429 10 0 EGAERP c1ccc(C[NH+]2CC3(CN(CCC[NH2+]C4CCCCC4)C3)C2)cc1 ZINC000706714493 1298222136 /nfs/dbraw/zinc/22/21/36/1298222136.db2.gz HJILTWDFUFAZOT-UHFFFAOYSA-N 2 0 327.516 3.117 10 0 EGAERP C[NH+](C)C1CCC([NH2+]CCCCCNC(=O)OC(C)(C)C)CC1 ZINC000715233090 1298280664 /nfs/dbraw/zinc/28/06/64/1298280664.db2.gz YIDWARAZYXKEJX-UHFFFAOYSA-N 2 0 327.513 3.144 10 0 EGAERP C[N@H+](CC[C@H]1CCC[NH2+]C1)CC1CC[NH+](Cc2ccccc2)CC1 ZINC000719947728 1298326641 /nfs/dbraw/zinc/32/66/41/1298326641.db2.gz NKGYWTYFJNDROU-LJQANCHMSA-N 3 0 329.532 3.220 10 0 EGAERP c1ccc(C[NH+]2CCC(CC[NH2+][C@H]3CO[C@H](C4CC4)C3)CC2)cc1 ZINC000877697190 1299487865 /nfs/dbraw/zinc/48/78/65/1299487865.db2.gz HQDRWLQJCJKNMB-RTWAWAEBSA-N 2 0 328.500 3.446 10 0 EGAERP CC(=O)c1ccccc1OCC[NH+]1CCC2(CC[NH+](C)CC2)CC1 ZINC000879246904 1300451208 /nfs/dbraw/zinc/45/12/08/1300451208.db2.gz JBGXAPKYIGXSGT-UHFFFAOYSA-N 2 0 330.472 3.076 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000883370540 1302417504 /nfs/dbraw/zinc/41/75/04/1302417504.db2.gz NPFPWQKWQYLSOO-RTWAWAEBSA-N 2 0 344.499 3.353 10 0 EGAERP c1ccc(C[NH+]2CCC3(CC[N@@H+](C[C@H]4C[C@@]45CCOC5)C3)CC2)cc1 ZINC000886214968 1303397303 /nfs/dbraw/zinc/39/73/03/1303397303.db2.gz APLYYIOEEPCOIW-IFMALSPDSA-N 2 0 340.511 3.401 10 0 EGAERP c1cn2cc(CN3CCC[C@@H](C[NH+]4CCCCCC4)C3)sc2n1 ZINC000891920573 1305209762 /nfs/dbraw/zinc/20/97/62/1305209762.db2.gz HCNGQKTUPZPKED-INIZCTEOSA-N 2 0 332.517 3.484 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2c(C)ccnc2N)CC1)CC1CC1 ZINC000894137071 1306239290 /nfs/dbraw/zinc/23/92/90/1306239290.db2.gz JLNDAZHEDMETQK-UHFFFAOYSA-N 2 0 330.520 3.306 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCCC[NH2+]CC1CN(C(=O)OC(C)(C)C)C1 ZINC000894180822 1306265022 /nfs/dbraw/zinc/26/50/22/1306265022.db2.gz RDPVHXUIAAMVAH-MRXNPFEDSA-N 2 0 339.524 3.098 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+]Cc1cc2ccnc(Cl)c2s1 ZINC000894400343 1308854704 /nfs/dbraw/zinc/85/47/04/1308854704.db2.gz RREYNBSXPCEZIO-CYBMUJFWSA-N 2 0 341.908 3.396 10 0 EGAERP C[C@@H]1C[N@H+](Cc2c[nH]nc2-c2cccs2)CCN1c1cc[nH+]cc1 ZINC000895557375 1309400579 /nfs/dbraw/zinc/40/05/79/1309400579.db2.gz OHIIUJRPQVISGT-CQSZACIVSA-N 2 0 339.468 3.244 10 0 EGAERP OC1(CC[NH2+]CC2CCSCC2)CC[NH+](Cc2ccccc2)CC1 ZINC000895645833 1309445416 /nfs/dbraw/zinc/44/54/16/1309445416.db2.gz DGDWHHDPPDESQU-UHFFFAOYSA-N 2 0 348.556 3.136 10 0 EGAERP FC(F)(F)[C@]12CCC[C@H]1C[N@H+](Cc1ccnn1-c1cc[nH+]cc1)C2 ZINC000895788547 1309521700 /nfs/dbraw/zinc/52/17/00/1309521700.db2.gz YOMNVLUNTNZLMM-BBRMVZONSA-N 2 0 336.361 3.432 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]CCC[C@H]4CCO4)CC[C@@H]3C2)cc1 ZINC000898518977 1310774899 /nfs/dbraw/zinc/77/48/99/1310774899.db2.gz LJPZDKRKJHGDAX-ANULTFPQSA-N 2 0 328.500 3.446 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]Cc2nc(Cl)ccc2Br)CC1 ZINC000857761022 1328594708 /nfs/dbraw/zinc/59/47/08/1328594708.db2.gz LUVMAPPAROOREZ-UHFFFAOYSA-N 2 0 346.700 3.319 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](Cc2cnn(CCF)c2)CC1 ZINC000929485026 1328612914 /nfs/dbraw/zinc/61/29/14/1328612914.db2.gz BSTPFHHTVSXQSC-UHFFFAOYSA-N 2 0 344.478 3.197 10 0 EGAERP CCN(CCC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC000858125455 1328689309 /nfs/dbraw/zinc/68/93/09/1328689309.db2.gz FOIBQLNCXGIKDX-OAHLLOKOSA-N 2 0 327.513 3.096 10 0 EGAERP CN(C)c1ccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)C(C)(C)C3)CC2)cc1 ZINC000858146661 1328695583 /nfs/dbraw/zinc/69/55/83/1328695583.db2.gz KNQUENITXVUWJS-GOSISDBHSA-N 2 0 344.547 3.184 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCCC[C@@H]3C)CC2)C1 ZINC000858503816 1328781402 /nfs/dbraw/zinc/78/14/02/1328781402.db2.gz HDRPFYISSOZLTI-SNRMKQJTSA-N 2 0 334.504 3.271 10 0 EGAERP CCOC(=O)C1=CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@H](C)C3)CC2)C1 ZINC000858504336 1328782892 /nfs/dbraw/zinc/78/28/92/1328782892.db2.gz PQAQOWWFQWLZCT-SNRMKQJTSA-N 2 0 334.504 3.271 10 0 EGAERP CC[N@H+](CCC1CCN(Cc2noc3c2COCC3)CC1)CC(C)C ZINC000930178800 1328804913 /nfs/dbraw/zinc/80/49/13/1328804913.db2.gz BHIGZZUKOPDJEP-UHFFFAOYSA-N 2 0 349.519 3.327 10 0 EGAERP O=c1[nH]c2cccc(CNCCC[N@@H+]3CCc4ccccc4C3)c2o1 ZINC000921501905 1322329961 /nfs/dbraw/zinc/32/99/61/1322329961.db2.gz MPEAIWUMNRSIRV-UHFFFAOYSA-N 2 0 337.423 3.071 10 0 EGAERP COCCOCc1ccc(C[NH2+]C2CCC(C)([NH+]3CCC3)CC2)cc1 ZINC000922844606 1322631001 /nfs/dbraw/zinc/63/10/01/1322631001.db2.gz GPSYEJUXNJLRPV-UHFFFAOYSA-N 2 0 346.515 3.346 10 0 EGAERP C[C@H]([NH3+])C1CC[NH+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)CC1 ZINC000923284279 1322725194 /nfs/dbraw/zinc/72/51/94/1322725194.db2.gz LBQAFAUVGPLSQB-YLQAJVPDSA-N 2 0 342.405 3.228 10 0 EGAERP CCc1cccc(CC)c1NC(=O)[C@H](C)[N@@H+]1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000923499353 1322762752 /nfs/dbraw/zinc/76/27/52/1322762752.db2.gz MYUWQBHVSOZXSL-RLFYNMQTSA-N 2 0 331.504 3.055 10 0 EGAERP C[C@H]1C[N@H+](CCC(=O)Nc2cccc3ccccc32)CC[C@H]1C[NH3+] ZINC000923500400 1322762826 /nfs/dbraw/zinc/76/28/26/1322762826.db2.gz PXSSPSRKNFMSGT-RDJZCZTQSA-N 2 0 325.456 3.085 10 0 EGAERP C[C@H]1C[N@H+](Cc2cc(Br)cc3cccnc32)CC[C@@H]1C[NH3+] ZINC000923501297 1322764056 /nfs/dbraw/zinc/76/40/56/1322764056.db2.gz PZYGXHHAFQGMJZ-GXTWGEPZSA-N 2 0 348.288 3.414 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@H]2[NH2+]CCC[NH+]2CCC(C)CC2)n(C)n1 ZINC000924580954 1323062202 /nfs/dbraw/zinc/06/22/02/1323062202.db2.gz ZSQQMDYPDLZIDZ-UYAOXDASSA-N 2 0 332.536 3.151 10 0 EGAERP CCON1CCC([NH2+]Cc2ccccc2C[NH+]2CCCCC2)CC1 ZINC000924585888 1323063833 /nfs/dbraw/zinc/06/38/33/1323063833.db2.gz FHWRRIWKFFYSAV-UHFFFAOYSA-N 2 0 331.504 3.178 10 0 EGAERP CCSc1ccccc1C[C@H](C)[NH2+]C[C@H](C)N1CC[NH+](CC)CC1 ZINC000924673351 1323106234 /nfs/dbraw/zinc/10/62/34/1323106234.db2.gz XCDZSVQEBZJYMV-ROUUACIJSA-N 2 0 349.588 3.345 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1cnn(C2CCC2)c1 ZINC000924703013 1323121300 /nfs/dbraw/zinc/12/13/00/1323121300.db2.gz CMYOPTPJAKSDFJ-MRXNPFEDSA-N 2 0 342.487 3.399 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(OCC[NH+](C)C)cc1)c1ccnn1C1CCC1 ZINC000924704338 1323122821 /nfs/dbraw/zinc/12/28/21/1323122821.db2.gz MYMOHSQQYCOIAN-MRXNPFEDSA-N 2 0 342.487 3.399 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]C[C@@H]2CCC[N@@H+](C(C)C)C2)n(C)n1 ZINC000924960758 1323228529 /nfs/dbraw/zinc/22/85/29/1323228529.db2.gz RVYAZHUOEFZCNC-BJLQDIEVSA-N 2 0 332.536 3.150 10 0 EGAERP C[C@@H]([NH2+]C[C@H](C)N1CC[NH+](C)CC1)c1csc(C(F)(F)F)c1 ZINC000924964968 1323230468 /nfs/dbraw/zinc/23/04/68/1323230468.db2.gz MLBHBMLEIITINV-NWDGAFQWSA-N 2 0 335.439 3.053 10 0 EGAERP OC1CC[NH+](Cc2ccc(C[NH2+][C@H]3C[C@H]4C=C[C@@H]3CC4)cc2)CC1 ZINC000924970995 1323233294 /nfs/dbraw/zinc/23/32/94/1323233294.db2.gz REKIHDODSHWECK-SCWSEQNSSA-N 2 0 326.484 3.088 10 0 EGAERP C[N@@H+]1C[C@@]2(C)CN(CCSc3ccc(F)cc3F)C[C@@]2(C)C1 ZINC000931318906 1329092426 /nfs/dbraw/zinc/09/24/26/1329092426.db2.gz VNKTZSAJEQAIGF-CALCHBBNSA-N 2 0 326.456 3.331 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)ccc1F ZINC000925497182 1325178480 /nfs/dbraw/zinc/17/84/80/1325178480.db2.gz FNFRXGBKOIAHOM-QUCCMNQESA-N 3 0 333.495 3.145 10 0 EGAERP [NH3+][C@H]1C[C@@H]([NH2+]CC2(c3ccccc3Br)CC2)C12CCC2 ZINC000925523638 1325190460 /nfs/dbraw/zinc/19/04/60/1325190460.db2.gz URPUDANDVAHSNJ-LSDHHAIUSA-N 2 0 335.289 3.340 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@H]1C[C@@H]([NH3+])CC(C)(C)C1 ZINC000925533430 1325195038 /nfs/dbraw/zinc/19/50/38/1325195038.db2.gz BBAPWELBWVRDSI-LMCOJAPRSA-N 2 0 329.532 3.393 10 0 EGAERP COc1ccccc1N1CCC([NH2+][C@H]2C[C@H]([NH3+])CC(C)(C)C2)CC1 ZINC000925535228 1325196944 /nfs/dbraw/zinc/19/69/44/1325196944.db2.gz UAIIPKROCVVTLY-RDJZCZTQSA-N 2 0 331.504 3.160 10 0 EGAERP COc1ccccc1N1CC[C@H]([NH2+][C@H](CCC[NH3+])c2ccccc2)C1 ZINC000925552693 1325204690 /nfs/dbraw/zinc/20/46/90/1325204690.db2.gz LWXYOTSDUWXAGD-RBUKOAKNSA-N 2 0 339.483 3.344 10 0 EGAERP COc1ccc(COCCC[NH2+][C@@H]2CC[NH2+]C[C@H]2C2CCCC2)cc1 ZINC000925566094 1325213267 /nfs/dbraw/zinc/21/32/67/1325213267.db2.gz DCLZBVMOLJJISW-LEWJYISDSA-N 2 0 346.515 3.360 10 0 EGAERP Cc1ccc(C(=O)N2CCC([NH2+][C@@H]3C[C@@H]([NH3+])CC(C)(C)C3)CC2)cc1 ZINC000925569260 1325214627 /nfs/dbraw/zinc/21/46/27/1325214627.db2.gz ZVWVTOJAAHTUPL-IEBWSBKVSA-N 2 0 343.515 3.095 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]C[C@H]2CCC[N@@H+](CC(C)C)C2)n(C)n1 ZINC000925589179 1325223905 /nfs/dbraw/zinc/22/39/05/1325223905.db2.gz VZHNTGWSCKRBHS-SVFBPWRDSA-N 2 0 346.563 3.397 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CCCOc2cccc3cccnc32)C1 ZINC000925599778 1325228672 /nfs/dbraw/zinc/22/86/72/1325228672.db2.gz UGCGKSHWUBQXBX-DLBZAZTESA-N 2 0 327.472 3.499 10 0 EGAERP CCC1(C[NH2+][C@H](C)c2cnn(C)n2)CC[NH+](Cc2ccccc2)CC1 ZINC000925621174 1325234222 /nfs/dbraw/zinc/23/42/22/1325234222.db2.gz ZMKMRSSLANMSDR-QGZVFWFLSA-N 2 0 341.503 3.158 10 0 EGAERP C[N@H+](Cc1ccco1)Cc1ccccc1C[NH2+][C@@H]1C[C@H]([NH3+])C12CCC2 ZINC000925620807 1325235269 /nfs/dbraw/zinc/23/52/69/1325235269.db2.gz BHEGFOAHRMQGBO-VQTJNVASSA-N 3 0 339.483 3.271 10 0 EGAERP C[C@H]([NH2+][C@@H]1C[C@H]([NH3+])CC(C)(C)C1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000925629811 1325238145 /nfs/dbraw/zinc/23/81/45/1325238145.db2.gz PGTCPNHMCLGQKI-FRYIKTPZSA-N 3 0 329.532 3.393 10 0 EGAERP O[C@H](C[NH2+][C@H]1CC[NH2+]C[C@@H]1C1CCCC1)c1ccc(Cl)c(F)c1 ZINC000925631911 1325239783 /nfs/dbraw/zinc/23/97/83/1325239783.db2.gz YUXZNTMGPODTRV-FHLIZLRMSA-N 2 0 340.870 3.270 10 0 EGAERP CC1(C)[C@H]([NH2+]CCCCC(=O)OCc2ccccc2)[C@@H]2CCC[NH2+][C@@H]21 ZINC000925635952 1325240718 /nfs/dbraw/zinc/24/07/18/1325240718.db2.gz VOIJNYGNXBWZAH-SXLOBPIMSA-N 2 0 344.499 3.266 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2C[C@@H]([NH3+])CC(C)(C)C2)c(-n2cc(Cl)cn2)n1 ZINC000925646082 1325246580 /nfs/dbraw/zinc/24/65/80/1325246580.db2.gz SHTZBJRKPHLGHP-HZPDHXFCSA-N 2 0 347.894 3.225 10 0 EGAERP [NH3+]CCC[C@@H]([NH2+][C@@H]1CCO[C@H](c2ccncc2)C1)c1ccccc1 ZINC000925702112 1325264884 /nfs/dbraw/zinc/26/48/84/1325264884.db2.gz LIJZCXDYRNNRPD-AQNXPRMDSA-N 2 0 325.456 3.372 10 0 EGAERP Fc1ccc([C@@H]2CC[NH2+]C[C@@H]2C[NH2+][C@@H]2CC[C@@H]3COCC[C@@H]3C2)cc1 ZINC000925703627 1325266173 /nfs/dbraw/zinc/26/61/73/1325266173.db2.gz DJTFDJQKYCRDFK-VLFNSIGCSA-N 2 0 346.490 3.314 10 0 EGAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1[C@H]3Cc4cc(Br)ccc4[C@@H]13)[NH2+]2 ZINC000925725704 1325271121 /nfs/dbraw/zinc/27/11/21/1325271121.db2.gz NCBBRPASHRLAFV-WBAABTNJSA-N 2 0 347.300 3.206 10 0 EGAERP C[C@@H]1[C@H]2CC[C@@H](C[C@@H]1[NH2+][C@@H]1[C@H]3Cc4ccc(Br)cc4[C@@H]13)[NH2+]2 ZINC000925731231 1325272782 /nfs/dbraw/zinc/27/27/82/1325272782.db2.gz ZIRVJZRLGHVUBH-WBAABTNJSA-N 2 0 347.300 3.206 10 0 EGAERP CCOc1ccc([C@H](C)NC[C@H]2C[NH2+]CCC2(F)F)cc1OCC ZINC000925780200 1325298667 /nfs/dbraw/zinc/29/86/67/1325298667.db2.gz SBSHVMYEYJVSDR-DZGCQCFKSA-N 2 0 342.430 3.379 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)c2ccccc21 ZINC000925802956 1325307123 /nfs/dbraw/zinc/30/71/23/1325307123.db2.gz KPLJSRAIQYCLQR-RGCFKVTRSA-N 2 0 330.472 3.003 10 0 EGAERP c1ccc([C@H]([NH2+]Cc2ccc(CN3CC[NH2+]CC3)cc2)C2CC2)cc1 ZINC000925810071 1325311790 /nfs/dbraw/zinc/31/17/90/1325311790.db2.gz VCXGJRKVHMITHA-QFIPXVFZSA-N 2 0 335.495 3.333 10 0 EGAERP C[C@@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(Cl)ccc1OC(F)F ZINC000925814095 1325314019 /nfs/dbraw/zinc/31/40/19/1325314019.db2.gz FRLKRRSRWJQXLG-LLVKDONJSA-N 2 0 347.837 3.015 10 0 EGAERP C[C@H](C[C@H](C)[NH3+])[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874205 1325338177 /nfs/dbraw/zinc/33/81/77/1325338177.db2.gz PICZPNUFJZSLDI-QWHCGFSZSA-N 2 0 344.409 3.495 10 0 EGAERP Cc1c([C@H](C)[NH2+]C[C@@H]2CC[C@H]([NH3+])C2)nnn1-c1ccc(Cl)cc1 ZINC000925875650 1325338394 /nfs/dbraw/zinc/33/83/94/1325338394.db2.gz KNYDRTOMWWXENT-LNSITVRQSA-N 2 0 333.867 3.007 10 0 EGAERP [NH3+][C@@H]1CC[C@H](C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000925880583 1325340950 /nfs/dbraw/zinc/34/09/50/1325340950.db2.gz TUKMSHQEMBHKQD-QGLKVJOYSA-N 3 0 327.516 3.147 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@@H](c2cncc(F)c2)C2CC2)C1 ZINC000925883344 1325342595 /nfs/dbraw/zinc/34/25/95/1325342595.db2.gz YEUSTEGLVVKDPW-AQNXPRMDSA-N 2 0 325.431 3.321 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+]C2CCN(Cc3ccccc3)CC2)C1 ZINC000925888948 1325345286 /nfs/dbraw/zinc/34/52/86/1325345286.db2.gz XCNMHLBSXIUKPT-ZRZAMGCNSA-N 2 0 349.522 3.300 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC[C@H](C)[NH+]2CCCCC2)n(C)n1 ZINC000926141719 1325445270 /nfs/dbraw/zinc/44/52/70/1325445270.db2.gz INQAMIAIJILFCE-CMKODMSKSA-N 2 0 332.536 3.294 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CCCCC[NH+]2CCCC2)n(C)n1 ZINC000926488107 1325572652 /nfs/dbraw/zinc/57/26/52/1325572652.db2.gz SZXLGFACIJYDFH-QUCCMNQESA-N 2 0 332.536 3.295 10 0 EGAERP CC[C@H](OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC)c1ccccc1 ZINC000926652446 1327651511 /nfs/dbraw/zinc/65/15/11/1327651511.db2.gz SWAHHHXGZPZJIQ-VTHDOGFWSA-N 2 0 346.515 3.386 10 0 EGAERP CC1([NH+]2CCCC2)CCC([NH2+][C@H]2C[C@@](CO)(c3ccccc3)C2)CC1 ZINC000927156408 1327896957 /nfs/dbraw/zinc/89/69/57/1327896957.db2.gz NSHVONKLMRDPBF-GUIIPBGCSA-N 2 0 342.527 3.466 10 0 EGAERP CC(=O)NCC1CCC([NH2+]Cc2cccc(C[NH+]3CCCC3)c2)CC1 ZINC000865407657 1329692665 /nfs/dbraw/zinc/69/26/65/1329692665.db2.gz GTNHGJCXXBHWMN-UHFFFAOYSA-N 2 0 343.515 3.067 10 0 EGAERP C[C@H]1C[C@H](C)C[NH+](CCCC[NH2+]Cc2cc3c(cc[nH]c3=O)o2)C1 ZINC000865415895 1329693982 /nfs/dbraw/zinc/69/39/82/1329693982.db2.gz QJRIVLWEZFPTDT-GJZGRUSLSA-N 2 0 331.460 3.381 10 0 EGAERP CC(C)[NH+]1CCC(CC[NH2+]Cc2c(C(F)(F)F)cnn2C)CC1 ZINC000865716893 1329732211 /nfs/dbraw/zinc/73/22/11/1329732211.db2.gz HJYRGMITIUNTNK-UHFFFAOYSA-N 2 0 332.414 3.039 10 0 EGAERP CCN1CC[NH+](CCCC[NH2+][C@H]2c3cc(F)ccc3CC[C@H]2C)CC1 ZINC000866233624 1330081876 /nfs/dbraw/zinc/08/18/76/1330081876.db2.gz XLVIVTNJTZEFQQ-DYESRHJHSA-N 2 0 347.522 3.456 10 0 EGAERP C[NH+](C)CCOc1ccccc1C[NH2+][C@@H](C1CCC1)[C@H]1CCCO1 ZINC000866248633 1330085028 /nfs/dbraw/zinc/08/50/28/1330085028.db2.gz QFWSXVBVFNLZCD-UXHICEINSA-N 2 0 332.488 3.064 10 0 EGAERP c1cc(C[NH+]2CCC(C[NH2+][C@H](C3CCC3)[C@H]3CCCO3)CC2)ccn1 ZINC000866388131 1330105261 /nfs/dbraw/zinc/10/52/61/1330105261.db2.gz BVBUJKFUWFTUCA-NHCUHLMSSA-N 2 0 343.515 3.231 10 0 EGAERP CC[C@H]([NH2+]C1(CNC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1)c1ccccc1 ZINC001323443514 1387370693 /nfs/dbraw/zinc/37/06/93/1387370693.db2.gz NVIQGJNFLDSFLG-GBESFXJTSA-N 2 0 343.515 3.106 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C2(CNC(=O)[C@@H]3CCCC[N@@H+]3C)CC2)c1 ZINC001323518419 1387380567 /nfs/dbraw/zinc/38/05/67/1387380567.db2.gz IVCVTVHSWCHNRI-MJGOQNOKSA-N 2 0 343.515 3.087 10 0 EGAERP CC(C)=CC[N@H+]1CC[C@@H]([C@@H]2CCCCN2C(=O)CCCC[NH+](C)C)C1 ZINC001323640088 1387415275 /nfs/dbraw/zinc/41/52/75/1387415275.db2.gz BSOKRJYFSXBQAO-UXHICEINSA-N 2 0 349.563 3.388 10 0 EGAERP Cc1nccn1CCCC(=O)N1CCCC[C@@H]1[C@@H]1CC[N@@H+](C(C)C)C1 ZINC001323641435 1387415611 /nfs/dbraw/zinc/41/56/11/1387415611.db2.gz IZDMKPLXMSCFOM-RTBURBONSA-N 2 0 346.519 3.083 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001323641017 1387415638 /nfs/dbraw/zinc/41/56/38/1387415638.db2.gz GRAKKCKNPWKJIG-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCN1C(=O)c1sccc1C[NH+](C)C ZINC001324169467 1387550306 /nfs/dbraw/zinc/55/03/06/1387550306.db2.gz XMDCENBIXYXXSD-MRXNPFEDSA-N 2 0 337.533 3.194 10 0 EGAERP CCC/C=C/CC[NH+]1CCC(C)(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001324318155 1387590124 /nfs/dbraw/zinc/59/01/24/1387590124.db2.gz GQEAXACZIDJTKV-HNGSOEQISA-N 2 0 335.536 3.044 10 0 EGAERP Cc1cc(-n2ccnc2)ccc1C[N@@H+]1CCN(c2cc[nH+]cc2)[C@H](C)C1 ZINC001197368601 1368799711 /nfs/dbraw/zinc/79/97/11/1368799711.db2.gz JKDLMDWOIQSCDD-GOSISDBHSA-N 2 0 347.466 3.286 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H]2[C@@H]1CC[NH+]2CCCC(C)C ZINC001325916951 1388080525 /nfs/dbraw/zinc/08/05/25/1388080525.db2.gz KGSRHYXVLZDJQM-HSALFYBXSA-N 2 0 349.563 3.362 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2CCCN(C(=O)[C@H]3CC[NH+](C)[C@@H]3CC)[C@@H]2C1 ZINC001325943702 1388095126 /nfs/dbraw/zinc/09/51/26/1388095126.db2.gz XYZPRMYXLQOYLS-VNTMZGSJSA-N 2 0 349.563 3.220 10 0 EGAERP COc1cncc(/C=C\CC[N@@H+]2CCC[C@H](Cc3nccn3C)C2)c1 ZINC001326040831 1388104820 /nfs/dbraw/zinc/10/48/20/1388104820.db2.gz FFEBKYLALBOKSO-VDNIUXDYSA-N 2 0 340.471 3.182 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]Cc2cccc(OCC(F)(F)F)n2)C1 ZINC001119699460 1371389592 /nfs/dbraw/zinc/38/95/92/1371389592.db2.gz QMCRRONIJPPNLM-DGCLKSJQSA-N 2 0 331.382 3.018 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](CC[NH2+]CCC2=CCCCC2)C1 ZINC001326307050 1388148766 /nfs/dbraw/zinc/14/87/66/1388148766.db2.gz YRHZWQPYPKJKGW-PMACEKPBSA-N 2 0 347.547 3.189 10 0 EGAERP C[N@H+](CCC(=O)N1CC[C@H](CC[NH2+]CC2CCC2)C1)C1CCCCC1 ZINC001326326697 1388155013 /nfs/dbraw/zinc/15/50/13/1388155013.db2.gz USQKLBCGYYJITJ-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CCC[N@H+](Cc2ccc(NC(=O)[C@H]3CCCC[C@H]3[NH3+])cc2)C1 ZINC001326372402 1388169939 /nfs/dbraw/zinc/16/99/39/1388169939.db2.gz YFVLCFUKXXVLHO-AYOQOUSVSA-N 2 0 329.488 3.375 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001326736396 1388294887 /nfs/dbraw/zinc/29/48/87/1388294887.db2.gz OITGHASIMQTRNX-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)CC1 ZINC001327127328 1388392085 /nfs/dbraw/zinc/39/20/85/1388392085.db2.gz VBCYLYOKJCZDBY-IEVDXQOXSA-N 2 0 349.563 3.434 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@H]2CCC[N@H+](CCC3=CCCCC3)CC2)CC1 ZINC001327148981 1388406176 /nfs/dbraw/zinc/40/61/76/1388406176.db2.gz WXBJZZALXLVQGR-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH+](C)CC1=CCCCC1 ZINC001327230519 1388456123 /nfs/dbraw/zinc/45/61/23/1388456123.db2.gz UPVLYKBFWSTVJU-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CCCCCC[NH2+][C@H]1CCCCCN(C(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001264122068 1377140081 /nfs/dbraw/zinc/14/00/81/1377140081.db2.gz FUFSKVJGENOSFF-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H](CC)[NH+](CC)CC)C1 ZINC001264121950 1377140154 /nfs/dbraw/zinc/14/01/54/1377140154.db2.gz CSXIQKPECZFGKQ-ZWKOTPCHSA-N 2 0 325.541 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001265687832 1377159749 /nfs/dbraw/zinc/15/97/49/1377159749.db2.gz IAGJFHBLTLOAQO-IBGZPJMESA-N 2 0 335.536 3.189 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC001266116903 1377194494 /nfs/dbraw/zinc/19/44/94/1377194494.db2.gz OJFLTXJOCKZVLV-COQIJWMOSA-N 2 0 337.552 3.242 10 0 EGAERP C[N@H+](CC(=O)NCc1ccccc1C[NH+]1CCCCC1)CC(C)(C)C ZINC001135975136 1377283678 /nfs/dbraw/zinc/28/36/78/1377283678.db2.gz DLTTVBCHAMSJRB-UHFFFAOYSA-N 2 0 345.531 3.267 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001266614214 1377343753 /nfs/dbraw/zinc/34/37/53/1377343753.db2.gz XGJVIGGNHDRTEF-UXHICEINSA-N 2 0 347.547 3.164 10 0 EGAERP CN(CC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001266724603 1377367655 /nfs/dbraw/zinc/36/76/55/1377367655.db2.gz USJRKPZBIRUZOL-LJQANCHMSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](C)CCC(=O)NC1CCC([NH2+]CCC2CCCCCC2)CC1 ZINC001266913349 1377401668 /nfs/dbraw/zinc/40/16/68/1377401668.db2.gz FAAMSIDRQHKZRU-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001267070839 1377410154 /nfs/dbraw/zinc/41/01/54/1377410154.db2.gz QBOUPPTZBJPTED-XHHZUUQWSA-N 2 0 349.563 3.291 10 0 EGAERP O=C(C[NH+]1CCCC1)NCCC[C@@H]1CCC[N@@H+]1CCC1=CCCCC1 ZINC001267182293 1377428704 /nfs/dbraw/zinc/42/87/04/1377428704.db2.gz YQDZMBNETBEHDS-HXUWFJFHSA-N 2 0 347.547 3.334 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)CC1CC[NH+](C)CC1)CC1CCCC1 ZINC001267510268 1377449549 /nfs/dbraw/zinc/44/95/49/1377449549.db2.gz IWKUILJJBDAVHX-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001267657680 1377465233 /nfs/dbraw/zinc/46/52/33/1377465233.db2.gz BZMCOTCBJSFDTG-RDJZCZTQSA-N 2 0 342.487 3.083 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CC1 ZINC001268156773 1377489218 /nfs/dbraw/zinc/48/92/18/1377489218.db2.gz QUQOFFXTULELJK-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]Cc1cccc(F)c1 ZINC001268161593 1377489952 /nfs/dbraw/zinc/48/99/52/1377489952.db2.gz DHCAJDHREJKPAW-LJQANCHMSA-N 2 0 349.494 3.028 10 0 EGAERP Cc1cccc(C[NH2+]CCCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001268868614 1377529750 /nfs/dbraw/zinc/52/97/50/1377529750.db2.gz JDKRLSJOEIVOHK-FQEVSTJZSA-N 2 0 345.531 3.196 10 0 EGAERP CCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CC2CCC3(CC3)CC2)C1 ZINC001269345463 1377552227 /nfs/dbraw/zinc/55/22/27/1377552227.db2.gz REROZQWQBZGBQX-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)N2CCC(CCC[NH+]3CCCC3)CC2)C1 ZINC001137728158 1377606272 /nfs/dbraw/zinc/60/62/72/1377606272.db2.gz WCNJURZNFCRYSE-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC1CC[NH+](C2CCC(NC(=O)[C@H]3CCC[C@@H]([NH+](C)C)C3)CC2)CC1 ZINC001137743331 1377608407 /nfs/dbraw/zinc/60/84/07/1377608407.db2.gz JCMJWRNZEQOACE-DCCYDQLOSA-N 2 0 349.563 3.266 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](C)(C[NH2+]CC3CCCCCC3)C2)C1 ZINC001270830599 1377615324 /nfs/dbraw/zinc/61/53/24/1377615324.db2.gz SWGZVZCWQFDNNZ-TZIWHRDSSA-N 2 0 349.563 3.127 10 0 EGAERP CN(CC[N@H+](C)CC1CC(C)(C)C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001272020928 1377653990 /nfs/dbraw/zinc/65/39/90/1377653990.db2.gz SPKPSQRJUUVLMW-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)CC[NH2+]CC1CC2(CCC2)C1 ZINC001272881306 1378081696 /nfs/dbraw/zinc/08/16/96/1378081696.db2.gz DTWNMLYXBPCOFO-IEBWSBKVSA-N 2 0 349.563 3.172 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1([NH+](C)C)CCC1 ZINC001275416536 1378140225 /nfs/dbraw/zinc/14/02/25/1378140225.db2.gz WKQXENCOMQOTID-DLBZAZTESA-N 2 0 345.531 3.277 10 0 EGAERP 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ZINC001328284341 1388715654 /nfs/dbraw/zinc/71/56/54/1388715654.db2.gz ONBXITZUEURVGZ-MOPGFXCFSA-N 2 0 337.552 3.412 10 0 EGAERP C[C@@H](CCNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1=CCCCC1 ZINC001328362341 1388730114 /nfs/dbraw/zinc/73/01/14/1388730114.db2.gz ASCPAJGPGLZYJG-SFHVURJKSA-N 2 0 347.547 3.237 10 0 EGAERP CCCC[NH2+][C@@H]1c2ccccc2C[C@H]1NC(=O)[C@H]1CCC[N@@H+]1CCC ZINC001328686753 1388808046 /nfs/dbraw/zinc/80/80/46/1388808046.db2.gz OUVDDDVIYPCGHX-VAMGGRTRSA-N 2 0 343.515 3.033 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCCN1C(=O)[C@@H]1CCCC[NH+]1C ZINC001328751711 1388842643 /nfs/dbraw/zinc/84/26/43/1388842643.db2.gz AFGKORHIKZZESO-ROUUACIJSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCCC[N@H+](C)C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001328781403 1388859545 /nfs/dbraw/zinc/85/95/45/1388859545.db2.gz SKJQLJQPRIKHKS-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H](C[NH+](C)C)[C@H]1CCCCN1C(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001301481981 1383717718 /nfs/dbraw/zinc/71/77/18/1383717718.db2.gz OGEQDPKRICQIEN-FUHWJXTLSA-N 2 0 347.503 3.068 10 0 EGAERP C[NH+](C)[C@@H]1CCC[C@H](C(=O)NC[C@@H]2CCC[N@@H+]2C2CCCCC2)C1 ZINC001306833756 1383908619 /nfs/dbraw/zinc/90/86/19/1383908619.db2.gz RFCIJBWZHIZUIQ-UHOSZYNNSA-N 2 0 335.536 3.020 10 0 EGAERP OC[C@H]1CCC[N@H+](CCC[NH+]2CCC(Cc3ccccc3)CC2)CC1 ZINC001307804224 1384035308 /nfs/dbraw/zinc/03/53/08/1384035308.db2.gz HTBYJVFFEIGVHU-QFIPXVFZSA-N 2 0 344.543 3.426 10 0 EGAERP CC(C)[NH+]1CCN(CCC[N@H+]2C[C@H]3[C@H](C[C@@H]3c3ccccc3)C2)CC1 ZINC001307998061 1384072147 /nfs/dbraw/zinc/07/21/47/1384072147.db2.gz XRRDZJXFCZJMJW-VSKRKVRLSA-N 2 0 341.543 3.138 10 0 EGAERP COC(=O)C[C@](C)([NH2+]Cc1ccc(C[NH+]2CCCCC2)cc1)C1CC1 ZINC001308016879 1384075763 /nfs/dbraw/zinc/07/57/63/1384075763.db2.gz QVVYETMMPVFTBS-NRFANRHFSA-N 2 0 344.499 3.494 10 0 EGAERP C[C@@H]1C[N@H+](CCN2CCCc3ccccc32)CCN1c1cc[nH+]cc1 ZINC001308040770 1384079556 /nfs/dbraw/zinc/07/95/56/1384079556.db2.gz PVBCLXQFFJEFGX-GOSISDBHSA-N 2 0 336.483 3.045 10 0 EGAERP CCCCC1([NH2+]CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)CC1 ZINC001308144306 1384100929 /nfs/dbraw/zinc/10/09/29/1384100929.db2.gz VTTKYYIAUGOYBW-UHFFFAOYSA-N 2 0 343.515 3.211 10 0 EGAERP CCCC[NH2+][C@@H]1CC[C@H](CNC(=O)c2sccc2C[NH+](C)C)C1 ZINC001316653993 1384506615 /nfs/dbraw/zinc/50/66/15/1384506615.db2.gz HPXCDFAHWSCJDD-GOEBONIOSA-N 2 0 337.533 3.098 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCCC(C)(C)C)[C@@H]1CC)[NH+](C)C ZINC001316739982 1384554734 /nfs/dbraw/zinc/55/47/34/1384554734.db2.gz YXIHUTPMLSTWFM-BBWFWOEESA-N 2 0 325.541 3.122 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1Cc1ccccc1 ZINC001316738858 1384554789 /nfs/dbraw/zinc/55/47/89/1384554789.db2.gz MIINSSPQFXNMPJ-RBUKOAKNSA-N 2 0 345.531 3.134 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)C(C)C)C1 ZINC001316771986 1384570720 /nfs/dbraw/zinc/57/07/20/1384570720.db2.gz VGYJIPLIUODGRG-GOSISDBHSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1ccc(C[N@@H+](C)C[C@@H]2CCCCN2C(=O)CCC[NH+](C)C)cc1 ZINC001316804354 1384594166 /nfs/dbraw/zinc/59/41/66/1384594166.db2.gz HQOYSSKNPRLQLG-FQEVSTJZSA-N 2 0 345.531 3.150 10 0 EGAERP C[N@H+](CCCC1CCC1)C[C@@H]1CCCCN1C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001316807421 1384601455 /nfs/dbraw/zinc/60/14/55/1384601455.db2.gz WLVQKWVYVZIPES-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CC[NH+](CC2CCC2)CC(C)(C)C1 ZINC001316809808 1384604941 /nfs/dbraw/zinc/60/49/41/1384604941.db2.gz DVRCNNCOSZNAAY-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1cc(C)c(C[N@H+](C)CCCNC(=O)C[NH+](C)C2CCC2)c(C)c1 ZINC001316828636 1384621696 /nfs/dbraw/zinc/62/16/96/1384621696.db2.gz QRMOOHAGFCICIA-UHFFFAOYSA-N 2 0 345.531 3.034 10 0 EGAERP CCCN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CC[NH+](CCC2CC2)CC1 ZINC001317007220 1384770268 /nfs/dbraw/zinc/77/02/68/1384770268.db2.gz SVOWUWUPGAVDSG-IBGZPJMESA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001317033066 1384802319 /nfs/dbraw/zinc/80/23/19/1384802319.db2.gz FBMXWMUOJFDFQH-PMACEKPBSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CCC[NH+]2CCCCC2)C1 ZINC001317099421 1384862545 /nfs/dbraw/zinc/86/25/45/1384862545.db2.gz DFLZQYMLMVBSCT-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001317167963 1384932642 /nfs/dbraw/zinc/93/26/42/1384932642.db2.gz XEVPJQDWQLMSTL-HKUYNNGSSA-N 2 0 345.531 3.236 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCCN1C(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001317194964 1384969126 /nfs/dbraw/zinc/96/91/26/1384969126.db2.gz MAVOTSUQYHKMIJ-MOPGFXCFSA-N 2 0 337.552 3.410 10 0 EGAERP CCC/C=C\CC[NH2+]C1CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001317218834 1384999461 /nfs/dbraw/zinc/99/94/61/1384999461.db2.gz NDIYLAOZJQFBKT-MZCYRKOTSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@@H](CNC(=O)CC[N@H+](C)C1CCCCC1)[NH2+]CC1=CCCCC1 ZINC001317256195 1385026366 /nfs/dbraw/zinc/02/63/66/1385026366.db2.gz NIZTVZXOXAXXII-KRWDZBQOSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001317267174 1385036574 /nfs/dbraw/zinc/03/65/74/1385036574.db2.gz VYROIOLWFVQZGB-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001317301862 1385070173 /nfs/dbraw/zinc/07/01/73/1385070173.db2.gz FMFXOOYSLDBRJJ-LXXRFIIISA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001317350669 1385100033 /nfs/dbraw/zinc/10/00/33/1385100033.db2.gz LRZQQAWXPUYLBI-IAGOWNOFSA-N 2 0 349.544 3.407 10 0 EGAERP CC(C)(C)CC[NH2+][C@@H]1CCC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001317361659 1385104714 /nfs/dbraw/zinc/10/47/14/1385104714.db2.gz XWHDNSWDDQRGCI-SJORKVTESA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCC1 ZINC001317394871 1385112717 /nfs/dbraw/zinc/11/27/17/1385112717.db2.gz CCVFMJWUYIHEIQ-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001317414534 1385125042 /nfs/dbraw/zinc/12/50/42/1385125042.db2.gz ALBYKEYPWLNVRJ-GBOJCQPWSA-N 2 0 343.515 3.059 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@H](C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001317416170 1385126069 /nfs/dbraw/zinc/12/60/69/1385126069.db2.gz SOAYCPIXQCLMLO-AZUAARDMSA-N 2 0 345.531 3.162 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@H]1CCC[NH+]1CCC(C)C ZINC001317435090 1385138028 /nfs/dbraw/zinc/13/80/28/1385138028.db2.gz PIENXHVETIUZBF-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C(C)C ZINC001317504711 1385210538 /nfs/dbraw/zinc/21/05/38/1385210538.db2.gz IGQCSNNJFUNALG-PWBPZBFBSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@H]1CNC(=O)CCCC[NH+](C)C ZINC001317512872 1385225416 /nfs/dbraw/zinc/22/54/16/1385225416.db2.gz QCLKFCKXZFZQEK-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001317513261 1385226155 /nfs/dbraw/zinc/22/61/55/1385226155.db2.gz JCXKNCQGYHSWHL-XSXCZSQGSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317517225 1385233282 /nfs/dbraw/zinc/23/32/82/1385233282.db2.gz RUWKTZFHIQYHRB-MAUKXSAKSA-N 2 0 349.906 3.077 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)C1)[C@H](C)c1cc(C)ccc1C ZINC001317547017 1385297220 /nfs/dbraw/zinc/29/72/20/1385297220.db2.gz UFTRKBYXBVGECY-MOPGFXCFSA-N 2 0 345.531 3.144 10 0 EGAERP C[N@H+](CC(=O)NC[C@@H]([NH2+]CC1CCCC1)c1ccccc1)C1CCC1 ZINC001317721351 1385422043 /nfs/dbraw/zinc/42/20/43/1385422043.db2.gz ULMWSUGJVYJXGX-HXUWFJFHSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H](CCNC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001317812282 1385511891 /nfs/dbraw/zinc/51/18/91/1385511891.db2.gz XDKUWPSMLSKUPQ-ZWKOTPCHSA-N 2 0 345.531 3.236 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CCC[NH+](CCCC2CCCC2)C1 ZINC001317972807 1385594083 /nfs/dbraw/zinc/59/40/83/1385594083.db2.gz LMWHOFICQQMWMY-PMACEKPBSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH+]2CC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001318374220 1385659484 /nfs/dbraw/zinc/65/94/84/1385659484.db2.gz NCVKACDHQMAISL-FXAWDEMLSA-N 2 0 345.531 3.402 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N[C@](C)(C[NH2+]CCC2=CCCCC2)C2CC2)C1 ZINC001318728367 1385846695 /nfs/dbraw/zinc/84/66/95/1385846695.db2.gz NGQSQIMHTHYQMW-WIYYLYMNSA-N 2 0 347.547 3.093 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001698635008 1406279315 /nfs/dbraw/zinc/27/93/15/1406279315.db2.gz FIJGDUAZKIXSDT-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP C[C@@H](C[NH2+]C/C=C/c1ccccc1)N(C)C(=O)CC[NH+]1CCCCC1 ZINC001319589507 1386193061 /nfs/dbraw/zinc/19/30/61/1386193061.db2.gz KMJWWXRRZQBKLS-DLENHJPASA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC001319606629 1386206334 /nfs/dbraw/zinc/20/63/34/1386206334.db2.gz XZOMQCXCOIALRY-OALUTQOASA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001319609373 1386207921 /nfs/dbraw/zinc/20/79/21/1386207921.db2.gz LLVQNSNHDRDXMB-ZWKOTPCHSA-N 2 0 339.568 3.416 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC2(C[NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001698635009 1406279645 /nfs/dbraw/zinc/27/96/45/1406279645.db2.gz FIJGDUAZKIXSDT-LJQANCHMSA-N 2 0 349.563 3.317 10 0 EGAERP Cc1c(C(=O)N2CC[C@H]([NH2+]CCC(C)C)[C@@H](C)C2)ccc2c[nH+]cn21 ZINC001319690187 1386253181 /nfs/dbraw/zinc/25/31/81/1386253181.db2.gz IDFBCWCQQCYVSL-KXBFYZLASA-N 2 0 342.487 3.129 10 0 EGAERP CC[C@H](C(=O)NC[C@@H]([NH2+]CC1CCC(C)(C)CC1)C(C)C)[NH+](C)C ZINC001319955024 1386415057 /nfs/dbraw/zinc/41/50/57/1386415057.db2.gz BTWVIEQDZPUXEF-QZTJIDSGSA-N 2 0 339.568 3.273 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@H]1C[NH2+]CC1=CCCCC1)CC(C)(C)C ZINC001320163873 1386542937 /nfs/dbraw/zinc/54/29/37/1386542937.db2.gz KIIGWLFWVKECDZ-OALUTQOASA-N 2 0 349.563 3.339 10 0 EGAERP CCN(CC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001320891769 1386750159 /nfs/dbraw/zinc/75/01/59/1386750159.db2.gz RBPZJLVQQXBTRW-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(NC/C=C\C[NH2+]CCC1CCCCC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001321108752 1386812017 /nfs/dbraw/zinc/81/20/17/1386812017.db2.gz GMDIXAIJZKBCFX-XSXCZSQGSA-N 2 0 347.547 3.236 10 0 EGAERP COc1cccc(N2CCC([NH2+][C@@H]3CC[N@H+](C)[C@@H]4CCC[C@H]43)CC2)c1 ZINC001321903161 1387006323 /nfs/dbraw/zinc/00/63/23/1387006323.db2.gz FYFLHTPNACNSRX-PWRODBHTSA-N 2 0 343.515 3.126 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CCCC(C)(C)C ZINC001322168396 1387085793 /nfs/dbraw/zinc/08/57/93/1387085793.db2.gz IVIGFXLWIUDDAD-SJORKVTESA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC(C)(C)C[NH2+]C/C=C/Cl ZINC001329341960 1389068253 /nfs/dbraw/zinc/06/82/53/1389068253.db2.gz LFLFKHVUUANKSI-XAVKZTDYSA-N 2 0 343.943 3.076 10 0 EGAERP C[C@H]1C[N@H+](C)C[C@H]1NC1C[C@H]2CCC[C@@H](C1)[NH+]2Cc1ccccc1 ZINC001330176519 1389328298 /nfs/dbraw/zinc/32/82/98/1389328298.db2.gz ZDKHATVJNPSMAS-KXEVLKFVSA-N 2 0 327.516 3.112 10 0 EGAERP CCCCC[N@@H+]1C[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C(C)(C)C1 ZINC001330204840 1389340657 /nfs/dbraw/zinc/34/06/57/1389340657.db2.gz WTANCGQBEBKJDE-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC3CC[NH+](C)CC3)C[C@H]2C1 ZINC001330467646 1389421510 /nfs/dbraw/zinc/42/15/10/1389421510.db2.gz NPFOAHTYRBYLBO-UFYCRDLUSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3CC[NH+](C)CC3)C2)C1 ZINC001330650086 1389482898 /nfs/dbraw/zinc/48/28/98/1389482898.db2.gz FPHSSTHQBCWFRO-JPLJXNOCSA-N 2 0 349.563 3.029 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H](CCC[NH2+]C(C)C)c1ccccc1 ZINC001331175918 1389643103 /nfs/dbraw/zinc/64/31/03/1389643103.db2.gz FKHFUJCITLUQQB-UXHICEINSA-N 2 0 345.531 3.497 10 0 EGAERP CC[C@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001698762452 1406417009 /nfs/dbraw/zinc/41/70/09/1406417009.db2.gz UPJCSOYFUPIPKR-MJGOQNOKSA-N 2 0 345.531 3.354 10 0 EGAERP CC(C)N(CC[N@H+](C)CCCC1CCC1)C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001332707680 1390162494 /nfs/dbraw/zinc/16/24/94/1390162494.db2.gz PARUMHBYRIIPNA-IEBWSBKVSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N[C@@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001332857467 1390202135 /nfs/dbraw/zinc/20/21/35/1390202135.db2.gz MNGKYUJRFXVCAZ-WMZOPIPTSA-N 2 0 337.552 3.029 10 0 EGAERP CCC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001332998226 1390233521 /nfs/dbraw/zinc/23/35/21/1390233521.db2.gz OLMUQOFQLDVYRA-MJRGOJFPSA-N 2 0 349.563 3.291 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+]([C@H](C)c2ccccc2)CC1 ZINC001333004521 1390234838 /nfs/dbraw/zinc/23/48/38/1390234838.db2.gz LRLAOTZKHGOPPZ-ZWKOTPCHSA-N 2 0 345.531 3.306 10 0 EGAERP C[NH+]1CCN(Cc2cccc(C[NH2+][C@@H]3CCC[C@H]4C[C@]43C)c2)CC1 ZINC001344611883 1390802916 /nfs/dbraw/zinc/80/29/16/1390802916.db2.gz RUFMGKNBTJMNSF-PWRODBHTSA-N 2 0 327.516 3.102 10 0 EGAERP C[C@@H](C(=O)N[C@H]1CCCCC[N@H+](Cc2ccccc2)C1)n1ccnc1 ZINC001352019256 1391745919 /nfs/dbraw/zinc/74/59/19/1391745919.db2.gz CUVKWXQRZYKNIG-HKUYNNGSSA-N 2 0 340.471 3.005 10 0 EGAERP Cc1ccc(C[NH2+]CC[C@@H]2[C@H](C)CCCN2C(=O)CC[NH+](C)C)cc1 ZINC001479523735 1392267810 /nfs/dbraw/zinc/26/78/10/1392267810.db2.gz OAASKMUXDUZSFP-UYAOXDASSA-N 2 0 345.531 3.054 10 0 EGAERP CC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001479600283 1392285348 /nfs/dbraw/zinc/28/53/48/1392285348.db2.gz PLAQOCQPHUYOIP-YLJYHZDGSA-N 2 0 345.531 3.379 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001479686789 1392319059 /nfs/dbraw/zinc/31/90/59/1392319059.db2.gz TYYKPTYLNLWZOX-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[C@@H](C)C[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001479739858 1392353307 /nfs/dbraw/zinc/35/33/07/1392353307.db2.gz OPMXZWIGGYWIAA-MOPGFXCFSA-N 2 0 339.568 3.322 10 0 EGAERP C[N@H+](CCCNC(=O)C12CCC[NH+]1CCC2)CC1CCC(C)(C)CC1 ZINC001479781947 1392385594 /nfs/dbraw/zinc/38/55/94/1392385594.db2.gz BZXVVPQGVGGRRU-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC1=CCCCC1 ZINC001479852391 1392432793 /nfs/dbraw/zinc/43/27/93/1392432793.db2.gz HHUGFXBDIVCCSA-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001698860190 1406569618 /nfs/dbraw/zinc/56/96/18/1406569618.db2.gz HQFSAGBYAMRWRP-KRWDZBQOSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CC12CC[NH+](CCC1CCCCC1)CC2 ZINC001479986123 1392518011 /nfs/dbraw/zinc/51/80/11/1392518011.db2.gz DZKNUSBBUWESDD-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480118490 1392592903 /nfs/dbraw/zinc/59/29/03/1392592903.db2.gz FFZDKSVMAYJUAP-HCZHMGAMSA-N 2 0 343.515 3.299 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001480145040 1392600534 /nfs/dbraw/zinc/60/05/34/1392600534.db2.gz JFKUPFQIIHPLFR-AWXYYQGCSA-N 2 0 335.536 3.233 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@H]([NH2+]CC2=CCCCC2)C1)C1CCCCC1 ZINC001480151266 1392602254 /nfs/dbraw/zinc/60/22/54/1392602254.db2.gz SEAUHAPSCAYXMA-WGSAOQKQSA-N 2 0 347.547 3.378 10 0 EGAERP CC(C)CCC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001480228050 1392628130 /nfs/dbraw/zinc/62/81/30/1392628130.db2.gz OEFWMKZIXOJYNM-KDURUIRLSA-N 2 0 331.504 3.035 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001480266456 1392650844 /nfs/dbraw/zinc/65/08/44/1392650844.db2.gz STYRCSPWLYFXIX-IKLBINMZSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCC3CCCCC3)C2)C1 ZINC001480295916 1392664269 /nfs/dbraw/zinc/66/42/69/1392664269.db2.gz MMLMJOSSWWVXFH-ICSRJNTNSA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001480302094 1392666849 /nfs/dbraw/zinc/66/68/49/1392666849.db2.gz GCZLFKUIFNCLOR-LJQANCHMSA-N 2 0 349.563 3.127 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C(C)C ZINC001480346824 1392698528 /nfs/dbraw/zinc/69/85/28/1392698528.db2.gz JSGDFNWEKXHOKD-WLMAVBAVSA-N 2 0 335.536 3.186 10 0 EGAERP O=C(C[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCC1CCCCCC1 ZINC001480367394 1392709963 /nfs/dbraw/zinc/70/99/63/1392709963.db2.gz LGNFHHWYVXCYAF-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC[C@H](F)C[NH2+]C[C@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001480367736 1392710744 /nfs/dbraw/zinc/71/07/44/1392710744.db2.gz LVLMFDMJVZYLGS-RBUKOAKNSA-N 2 0 349.494 3.081 10 0 EGAERP Cc1cc(C)c(C[NH2+][C@H](C)CNC(=O)[C@H]2CCC[N@@H+]2C(C)C)c(C)c1 ZINC001480458644 1392759133 /nfs/dbraw/zinc/75/91/33/1392759133.db2.gz FMZBLAFPNGMCFA-UYAOXDASSA-N 2 0 345.531 3.079 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CC(C)C1)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001698871447 1406591332 /nfs/dbraw/zinc/59/13/32/1406591332.db2.gz SWRKNHJHQZMRPU-CTWPCTMYSA-N 2 0 349.563 3.029 10 0 EGAERP CCC(CC)C[NH2+]C[C@H]1CCN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001480648839 1392836198 /nfs/dbraw/zinc/83/61/98/1392836198.db2.gz PNCHIJSFBVLWFE-QUCCMNQESA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)(C(=O)N[C@@H]1CCC[C@@H]([NH2+]CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001480697436 1392860851 /nfs/dbraw/zinc/86/08/51/1392860851.db2.gz FHPPZDBMTJCPFM-RTBURBONSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001480723276 1392884567 /nfs/dbraw/zinc/88/45/67/1392884567.db2.gz BOTAQBZUSRBYLC-GOSISDBHSA-N 2 0 337.552 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCC[C@H](C)[NH2+]CC2=CCCCC2)C1 ZINC001480786033 1392932360 /nfs/dbraw/zinc/93/23/60/1392932360.db2.gz KMUKKZMFTFXMEW-PKOBYXMFSA-N 2 0 335.536 3.093 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480828309 1392967250 /nfs/dbraw/zinc/96/72/50/1392967250.db2.gz ODNFQJWJOYTYTE-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](C(=O)NC[C@@H]1CCC[N@@H+]1CC1CC2(CCC2)C1)[NH+](CC)CC ZINC001481058777 1393109134 /nfs/dbraw/zinc/10/91/34/1393109134.db2.gz ZPDAITLJBZWJFM-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C[NH+](C)C)c1 ZINC001481071751 1393113265 /nfs/dbraw/zinc/11/32/65/1393113265.db2.gz RYXRBEGFXNDZJZ-HXUWFJFHSA-N 2 0 345.531 3.379 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001481335834 1393166144 /nfs/dbraw/zinc/16/61/44/1393166144.db2.gz RVYFVPLRCWSKKP-CWHLKURSSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1cccc([C@H](C)[NH2+][C@@H](C)C2CCN(C(=O)CC[NH+](C)C)CC2)c1 ZINC001481341369 1393168184 /nfs/dbraw/zinc/16/81/84/1393168184.db2.gz GYUUYENRXBLCDD-ROUUACIJSA-N 2 0 345.531 3.224 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C[NH2+]CC2CC2)C2CCCCC2)C1 ZINC001698883009 1406614668 /nfs/dbraw/zinc/61/46/68/1406614668.db2.gz NZNUNVVCDVIGTE-UXHICEINSA-N 2 0 349.563 3.173 10 0 EGAERP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001698890391 1406622783 /nfs/dbraw/zinc/62/27/83/1406622783.db2.gz DIUDLXTVZFCHOH-PXNSSMCTSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H]1CN(C(=O)CC2CC[NH+](C)CC2)CC[C@H]1[NH2+]CCCC1CCC1 ZINC001698890390 1406623070 /nfs/dbraw/zinc/62/30/70/1406623070.db2.gz DIUDLXTVZFCHOH-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@H]1CC[NH2+]CCC1CCCC1 ZINC001698922741 1406658390 /nfs/dbraw/zinc/65/83/90/1406658390.db2.gz HFHJZASUOISDBD-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCC2CCCCC2)C1 ZINC001698924215 1406659691 /nfs/dbraw/zinc/65/96/91/1406659691.db2.gz YNVTVKFZRVGPFE-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)C[N@H+](C)C2CCC2)C1 ZINC001698927637 1406663762 /nfs/dbraw/zinc/66/37/62/1406663762.db2.gz GAERBJFTGJNMNF-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H]([NH2+]CC1=CCCCC1)[C@H]1CCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001698934492 1406672917 /nfs/dbraw/zinc/67/29/17/1406672917.db2.gz XYCDFJBSYUXTIN-MJGOQNOKSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)C1 ZINC001481372579 1394214312 /nfs/dbraw/zinc/21/43/12/1394214312.db2.gz OUGNIUKNUKPFJQ-IEBWSBKVSA-N 2 0 345.531 3.212 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001481433443 1394289861 /nfs/dbraw/zinc/28/98/61/1394289861.db2.gz VHJQDMPZMSLXDH-DSQZMVHQSA-N 2 0 335.536 3.044 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001481437539 1394291879 /nfs/dbraw/zinc/29/18/79/1394291879.db2.gz VIMNWUYUZDDFGJ-KRWDZBQOSA-N 2 0 342.487 3.275 10 0 EGAERP CC(C)(C)CC[N@@H+]1CC[C@@H](CCNC(=O)CC[NH+]2CCCCC2)C1 ZINC001481462039 1394318708 /nfs/dbraw/zinc/31/87/08/1394318708.db2.gz NQJNTJSDSXRQSO-GOSISDBHSA-N 2 0 337.552 3.127 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](C)C[C@H]1CCCN(C(=O)CC[NH+](C)C)C1 ZINC001490772480 1394333733 /nfs/dbraw/zinc/33/37/33/1394333733.db2.gz NNIHKZSZSFCUNG-QUCCMNQESA-N 2 0 345.531 3.260 10 0 EGAERP C[N@H+](CCCC(C)(C)C)C[C@@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C)C1 ZINC001481490342 1394336074 /nfs/dbraw/zinc/33/60/74/1394336074.db2.gz DTWOILMXEJUFBY-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001481518447 1394368414 /nfs/dbraw/zinc/36/84/14/1394368414.db2.gz VASNLHGHNUAIOH-GOSISDBHSA-N 2 0 345.531 3.178 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCC[NH+](CCC(C)(C)C)C1 ZINC001491109266 1394430630 /nfs/dbraw/zinc/43/06/30/1394430630.db2.gz FZMRSHLJTUWEGM-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001491113910 1394433917 /nfs/dbraw/zinc/43/39/17/1394433917.db2.gz KKVGQJGZTNUXCN-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@@H]1CC[NH+](CC2CCCCC2)C1 ZINC001481703821 1394462572 /nfs/dbraw/zinc/46/25/72/1394462572.db2.gz KYHQWEOTRWFYGD-GOSISDBHSA-N 2 0 349.563 3.410 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237160 1394489505 /nfs/dbraw/zinc/48/95/05/1394489505.db2.gz QVRBNZYUTOSVPN-LLHWWHOWSA-N 2 0 335.536 3.189 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC1CCCC1 ZINC001491253320 1394492517 /nfs/dbraw/zinc/49/25/17/1394492517.db2.gz NDWDEDUPVZZIMQ-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C2)c1 ZINC001481748409 1394493316 /nfs/dbraw/zinc/49/33/16/1394493316.db2.gz XBUZDXYKKPMSDB-QUCCMNQESA-N 2 0 345.531 3.321 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1=CCCCC1)c1ccccc1 ZINC001491642360 1394523929 /nfs/dbraw/zinc/52/39/29/1394523929.db2.gz VTERIYRAUJXJAP-YLJYHZDGSA-N 2 0 343.515 3.274 10 0 EGAERP CC[C@@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)[NH2+]Cc1cc(C)cc(C)c1 ZINC001481821954 1394546036 /nfs/dbraw/zinc/54/60/36/1394546036.db2.gz VNFIRRMEPOJFCE-VQTJNVASSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001481856155 1394561415 /nfs/dbraw/zinc/56/14/15/1394561415.db2.gz PHKJPTSLWGVKOI-MJGOQNOKSA-N 2 0 335.536 3.236 10 0 EGAERP CCCCC[NH2+]CC[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001481979320 1394640658 /nfs/dbraw/zinc/64/06/58/1394640658.db2.gz NOEPZQMTEXYZIE-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]CCC1CCN(C(=O)C2CC[NH+](C)CC2)CC1 ZINC001482003467 1394663096 /nfs/dbraw/zinc/66/30/96/1394663096.db2.gz GJLIOBLWIWKABM-WAYWQWQTSA-N 2 0 349.563 3.293 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CC[C@H](NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001482022454 1394679681 /nfs/dbraw/zinc/67/96/81/1394679681.db2.gz IXXHEDOJYXNUEJ-CKWDHDKDSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H]1CC[C@H](C)[NH+]1CC(=O)N[C@H]1CC[C@H]([NH2+]CCC(C)(C)C)CC1 ZINC001482026681 1394684778 /nfs/dbraw/zinc/68/47/78/1394684778.db2.gz ZXMVISCKQPYIOG-XSLAGTTESA-N 2 0 337.552 3.312 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001482108589 1394750803 /nfs/dbraw/zinc/75/08/03/1394750803.db2.gz TZTOLISFQLPNSC-FUHWJXTLSA-N 2 0 345.531 3.191 10 0 EGAERP CC(C)[N@@H+](C)CC(=O)NC[C@@H](C)C[NH2+][C@H](C)c1ccccc1Cl ZINC001482174282 1394787682 /nfs/dbraw/zinc/78/76/82/1394787682.db2.gz XPHSWNDQGNSLCB-LSDHHAIUSA-N 2 0 339.911 3.083 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001482222493 1394816200 /nfs/dbraw/zinc/81/62/00/1394816200.db2.gz MNOOFMBUFCANML-RBUKOAKNSA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H](C(=O)NCC1([NH2+]CC2CCCC2)CCCC1)[NH+]1CCCCCC1 ZINC001482231393 1394826355 /nfs/dbraw/zinc/82/63/55/1394826355.db2.gz QMSCWOHGJVRCOU-SFHVURJKSA-N 2 0 349.563 3.460 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482317098 1394888543 /nfs/dbraw/zinc/88/85/43/1394888543.db2.gz OHAAOAFZERSPHW-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C)C1 ZINC001482322607 1394893451 /nfs/dbraw/zinc/89/34/51/1394893451.db2.gz BSPNHBLTGGRKHR-ZWKOTPCHSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)[C@@H](C)C[NH2+]Cc1ccc(C(C)(C)C)cc1 ZINC001482369994 1394932079 /nfs/dbraw/zinc/93/20/79/1394932079.db2.gz QWWPPZJVMGBZGH-KRWDZBQOSA-N 2 0 347.547 3.261 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@H](CNC(=O)[C@H]2CCCC[N@@H+]2C)C(C)C)c1 ZINC001698967686 1406728283 /nfs/dbraw/zinc/72/82/83/1406728283.db2.gz FWGXNBGAODYGQA-WOJBJXKFSA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482411772 1394976390 /nfs/dbraw/zinc/97/63/90/1394976390.db2.gz AMSIZANPMGTMFD-IBGZPJMESA-N 2 0 337.552 3.172 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+]2CCC3)C[C@@H]1C ZINC001482425514 1394986459 /nfs/dbraw/zinc/98/64/59/1394986459.db2.gz SEXZEYBKKZPNNC-OBNUAKFSSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCCN1C(=O)CCCC[NH+](C)C)c1ccc(F)cc1 ZINC001483951376 1395159099 /nfs/dbraw/zinc/15/90/99/1395159099.db2.gz CKPAIWWBYNTTQT-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N1CC[C@](C)(C[NH2+]CC2CCCC2)C1 ZINC001484115970 1395260132 /nfs/dbraw/zinc/26/01/32/1395260132.db2.gz YPUKMYBQVURRSH-TZIWHRDSSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001484471478 1395406889 /nfs/dbraw/zinc/40/68/89/1395406889.db2.gz WRAVVLIGSXKXHT-SLFFLAALSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]([NH2+]CCC(C)(C)C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001484559740 1395442598 /nfs/dbraw/zinc/44/25/98/1395442598.db2.gz KJYFNJIHYVQRJL-QFBILLFUSA-N 2 0 345.531 3.484 10 0 EGAERP CCC1([NH2+]CC2=CCCCC2)CCN(C(=O)C[N@@H+]2CC[C@@H](C)C2)CC1 ZINC001484816496 1395550954 /nfs/dbraw/zinc/55/09/54/1395550954.db2.gz LBVQXVZOXVDIKR-GOSISDBHSA-N 2 0 347.547 3.189 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@]2(CC[N@H+](CCCC(C)C)C2)C1)[NH+](C)C ZINC001484833178 1395569890 /nfs/dbraw/zinc/56/98/90/1395569890.db2.gz YHXNFVPCANQBMM-AZUAARDMSA-N 2 0 337.552 3.077 10 0 EGAERP CC[C@H](C(=O)NCc1ccc2c(c1)C[N@@H+](CCCC(C)C)C2)[NH+](C)C ZINC001484874680 1395576995 /nfs/dbraw/zinc/57/69/95/1395576995.db2.gz VWTBATDRCYSEPU-HXUWFJFHSA-N 2 0 345.531 3.395 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)[C@@H](C)NC(=O)C1(C[NH+](C)C)CC1 ZINC001485185434 1395691561 /nfs/dbraw/zinc/69/15/61/1395691561.db2.gz FCDWRERNQHAISO-DLBZAZTESA-N 2 0 345.531 3.135 10 0 EGAERP CC(C)CC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001485262728 1395748210 /nfs/dbraw/zinc/74/82/10/1395748210.db2.gz RENBOULSWOEPNT-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)c1ccccc1C[NH+](C)[C@H](C)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485339762 1395812285 /nfs/dbraw/zinc/81/22/85/1395812285.db2.gz JPZOFJNISFQDKL-XLIONFOSSA-N 2 0 345.531 3.231 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CCCC(C)(C)C)CCCCC1 ZINC001485448433 1395914976 /nfs/dbraw/zinc/91/49/76/1395914976.db2.gz RFUMDZGZPZYQIM-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)CCCCC1 ZINC001485450598 1395918373 /nfs/dbraw/zinc/91/83/73/1395918373.db2.gz KLMVQPAEDZQANR-SFHVURJKSA-N 2 0 337.552 3.458 10 0 EGAERP CCCC[C@H](C[NH2+]C(C)C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001485463087 1395938005 /nfs/dbraw/zinc/93/80/05/1395938005.db2.gz JZFFHHCBYLGTCY-ZWKOTPCHSA-N 2 0 337.552 3.314 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1CCC1)[NH+]1CCCC1 ZINC001485486702 1395972071 /nfs/dbraw/zinc/97/20/71/1395972071.db2.gz ZUBSETZOQYBYAW-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@H+](C)CCN(C)C(=O)C[NH+]2CC[C@H](C)C2)c1 ZINC001698997171 1406797356 /nfs/dbraw/zinc/79/73/56/1406797356.db2.gz SRALIPZZBFPVPB-PKOBYXMFSA-N 2 0 345.531 3.096 10 0 EGAERP CC(C)(C)CC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485583445 1396060826 /nfs/dbraw/zinc/06/08/26/1396060826.db2.gz AXXOPNHVIQVZNP-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H](NC(=O)CC[NH+]2CCCCC2)C(C)(C)C1 ZINC001485586001 1396061592 /nfs/dbraw/zinc/06/15/92/1396061592.db2.gz OJFYXSOMHBGGEU-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)[C@H]3CCC[NH+]3C(C)C)C[C@@]2(C)C1 ZINC001485667398 1396097270 /nfs/dbraw/zinc/09/72/70/1396097270.db2.gz HSJKFRFENYJZAR-NRSPTQNISA-N 2 0 349.563 3.220 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@H]1C[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001485705365 1396110567 /nfs/dbraw/zinc/11/05/67/1396110567.db2.gz QZSMPBGMFGLGTI-MXVIHJGJSA-N 2 0 347.547 3.237 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001485944988 1396171843 /nfs/dbraw/zinc/17/18/43/1396171843.db2.gz SDQXYNVJYWNSLM-ROUUACIJSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@]2(NC(=O)C[NH+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001486146818 1396179575 /nfs/dbraw/zinc/17/95/75/1396179575.db2.gz OPANFILNOORXHJ-XLIONFOSSA-N 2 0 337.552 3.124 10 0 EGAERP CCCCCC[NH2+][C@@H]1CN(C(=O)[C@H]2CCC[N@@H+]2CCC)CC1(C)C ZINC001486235069 1396185898 /nfs/dbraw/zinc/18/58/98/1396185898.db2.gz RFRIOUXGBGPPNB-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CCc1ccc(C[N@@H+]2CC[C@@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)cc1 ZINC001503023686 1396241493 /nfs/dbraw/zinc/24/14/93/1396241493.db2.gz PIXBXELZHWLRJS-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@@H]2C)cc1 ZINC001503023687 1396241851 /nfs/dbraw/zinc/24/18/51/1396241851.db2.gz PIXBXELZHWLRJS-PXNSSMCTSA-N 2 0 345.531 3.058 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@@H](C)CCNC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001503429339 1396253849 /nfs/dbraw/zinc/25/38/49/1396253849.db2.gz MDQPADFXPBAXKY-BJLQDIEVSA-N 2 0 345.531 3.333 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]([N@H+](C)CC2=CCCCC2)C1 ZINC001491958542 1396300712 /nfs/dbraw/zinc/30/07/12/1396300712.db2.gz DTJFTQAGFFRLTF-IBGZPJMESA-N 2 0 335.536 3.142 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001494241919 1396407839 /nfs/dbraw/zinc/40/78/39/1396407839.db2.gz WBFZUOLJOBMXIN-OBNUAKFSSA-N 2 0 335.536 3.186 10 0 EGAERP CC(C)CCC[NH2+][C@H]1CCN(C(=O)C[N@H+](C)CC(C)(C)C)C[C@H]1C ZINC001496359887 1396666133 /nfs/dbraw/zinc/66/61/33/1396666133.db2.gz RYYRKZUHQIYGJZ-MSOLQXFVSA-N 2 0 339.568 3.227 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2CCCCC2)[C@@H](C)C1 ZINC001496366165 1396670366 /nfs/dbraw/zinc/67/03/66/1396670366.db2.gz AJTIGFHFONVJOU-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@@H](C)NC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001497275404 1396742798 /nfs/dbraw/zinc/74/27/98/1396742798.db2.gz HOMARHVGLINBAG-MOPGFXCFSA-N 2 0 345.531 3.244 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CC[C@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC001497275458 1396743336 /nfs/dbraw/zinc/74/33/36/1396743336.db2.gz HZNRDAAMJYNNRJ-SFHVURJKSA-N 2 0 345.531 3.020 10 0 EGAERP Cc1cccc(C[NH2+]CC[C@H]2[C@@H](C)CCCN2C(=O)CC[NH+](C)C)c1 ZINC001689052572 1396847988 /nfs/dbraw/zinc/84/79/88/1396847988.db2.gz OAEQCNBCWDABCU-ICSRJNTNSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCCCC[C@H]([NH2+]CCCC3CCC3)C2)C1 ZINC001689267992 1396999152 /nfs/dbraw/zinc/99/91/52/1396999152.db2.gz VSFKTQIVQQFYNH-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001689858768 1404172776 /nfs/dbraw/zinc/17/27/76/1404172776.db2.gz JXUUFSHCRHXYLG-IBGZPJMESA-N 2 0 345.531 3.198 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H]2CCCCN2C(=O)CC[NH+](C)C)c(C)c1 ZINC001689906738 1404199710 /nfs/dbraw/zinc/19/97/10/1404199710.db2.gz URISTJQUNKSELT-AZUAARDMSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001689908365 1404200475 /nfs/dbraw/zinc/20/04/75/1404200475.db2.gz BVVLJPOUTLDJPX-MOPGFXCFSA-N 2 0 335.536 3.044 10 0 EGAERP CC[N@H+](CCCNC(=O)C1CC[NH+](C(C)C)CC1)CC1CCCC1 ZINC001689963290 1404230523 /nfs/dbraw/zinc/23/05/23/1404230523.db2.gz HNYNLTGZHWOCSW-UHFFFAOYSA-N 2 0 337.552 3.125 10 0 EGAERP CC/C=C/CC[N@H+](C)C[C@@H]1CCCN(C(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)C1 ZINC001690193277 1404399018 /nfs/dbraw/zinc/39/90/18/1404399018.db2.gz XPPFZBSRRFBAHZ-GFQMDTTRSA-N 2 0 349.563 3.243 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CC[C@H]([NH2+]CCC2=CCCCC2)C1 ZINC001690259026 1404433898 /nfs/dbraw/zinc/43/38/98/1404433898.db2.gz JDTCYPVYZCJQEF-FQEVSTJZSA-N 2 0 347.547 3.334 10 0 EGAERP CCCC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001690436975 1404559675 /nfs/dbraw/zinc/55/96/75/1404559675.db2.gz UKAGVILNZNTUNM-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CC(=O)NC1CCC([NH2+]CC2CC3(CCC3)C2)CC1)C1CCC1 ZINC001690535365 1404624854 /nfs/dbraw/zinc/62/48/54/1404624854.db2.gz IGCCKPFSGHUZMX-UHFFFAOYSA-N 2 0 347.547 3.068 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001690535254 1404625152 /nfs/dbraw/zinc/62/51/52/1404625152.db2.gz CYWGCBFRBJNDHQ-UHFFFAOYSA-N 2 0 342.487 3.464 10 0 EGAERP CC(C)c1nccn1CC(=O)N1CC[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001690740731 1404703632 /nfs/dbraw/zinc/70/36/32/1404703632.db2.gz DBZKSGLXISAUSL-QGZVFWFLSA-N 2 0 348.535 3.271 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)[NH2+]CC1CCC(C)(C)CC1 ZINC001690843443 1404772935 /nfs/dbraw/zinc/77/29/35/1404772935.db2.gz YYKOBAJBUHOVKU-JFIYKMOQSA-N 2 0 337.552 3.027 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@H]1CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001690907142 1404817932 /nfs/dbraw/zinc/81/79/32/1404817932.db2.gz HNVAKMCBSQBHLW-GBESFXJTSA-N 2 0 335.536 3.044 10 0 EGAERP CN(C[C@@H]1CC[N@@H+]1CCC1=CCCCC1)C(=O)CC1CC[NH+](C)CC1 ZINC001691061669 1404984815 /nfs/dbraw/zinc/98/48/15/1404984815.db2.gz INLQFOOSGXXYOT-FQEVSTJZSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](CNC(=O)CC[NH+](C)C)C2)cc1 ZINC001691157662 1405092818 /nfs/dbraw/zinc/09/28/18/1405092818.db2.gz YNVVGMJJJZPMQE-MSOLQXFVSA-N 2 0 345.531 3.261 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CCC[C@H]2CCC[NH+]21)Cc1ccsc1 ZINC001691194036 1405131907 /nfs/dbraw/zinc/13/19/07/1405131907.db2.gz KAFCOZQOBJLPBE-ZWKOTPCHSA-N 2 0 349.544 3.093 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CCCCCC2)C1)C1CCC1 ZINC001691230061 1405168507 /nfs/dbraw/zinc/16/85/07/1405168507.db2.gz QKDYVDNQZSRHRW-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP CC1CC[NH+](CC(=O)N2CCC[C@H](C)[C@H]2CC[NH2+]CC2CCC2)CC1 ZINC001691304613 1405199167 /nfs/dbraw/zinc/19/91/67/1405199167.db2.gz CYIPQRNAYJZLCA-AZUAARDMSA-N 2 0 349.563 3.125 10 0 EGAERP CCC(CC)C[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001691309294 1405201988 /nfs/dbraw/zinc/20/19/88/1405201988.db2.gz OFVQQJXXAFWGLK-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CN(CC[NH2+]CCC1CCCCC1)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001691360114 1405213208 /nfs/dbraw/zinc/21/32/08/1405213208.db2.gz OOXDDRCEKAIXIO-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001691457819 1405280502 /nfs/dbraw/zinc/28/05/02/1405280502.db2.gz AMYVGIDQAFRHAU-GNBUJSLZSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)[C@H]1CC ZINC001691518212 1405316831 /nfs/dbraw/zinc/31/68/31/1405316831.db2.gz ICEAXSRYABOSQM-IPMKNSEASA-N 2 0 337.552 3.410 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001691517926 1405317262 /nfs/dbraw/zinc/31/72/62/1405317262.db2.gz AELGWYSLGNRZLR-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1C[C@H](CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691541021 1405330941 /nfs/dbraw/zinc/33/09/41/1405330941.db2.gz LEKBHSHXSMLLPA-NCXUSEDFSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)[C@@H]3CCC[NH+]3CCC)C[C@@H]2C1 ZINC001691554411 1405336886 /nfs/dbraw/zinc/33/68/86/1405336886.db2.gz HXSNJDMFWBISPL-AABGKKOBSA-N 2 0 349.563 3.221 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001691614142 1405357234 /nfs/dbraw/zinc/35/72/34/1405357234.db2.gz UUDOEUUDXRPEGO-WYNBNGFRSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]([NH2+][C@H]1CCCCCN(C(=O)CCC[NH+](C)C)C1)c1ccccc1 ZINC001691628722 1405365868 /nfs/dbraw/zinc/36/58/68/1405365868.db2.gz BCIGVYOQHCFGPQ-ICSRJNTNSA-N 2 0 345.531 3.450 10 0 EGAERP CC(C)CC[NH+]1CCC2(C[C@H](C)N(C(=O)CCC[NH+](C)C)C2)CC1 ZINC001691691109 1405425825 /nfs/dbraw/zinc/42/58/25/1405425825.db2.gz YIGFINJGLHTFKD-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H](C)[C@H]1CC[NH2+]CC1CCCC1 ZINC001691733398 1405456027 /nfs/dbraw/zinc/45/60/27/1405456027.db2.gz PNRLNUFAVYRXCH-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+][C@H]1C[C@@H](CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)C1 ZINC001691745761 1405466376 /nfs/dbraw/zinc/46/63/76/1405466376.db2.gz PXRUFILOKNDLIW-FCGDIQPGSA-N 2 0 349.563 3.314 10 0 EGAERP CCCCC[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001691784605 1405492737 /nfs/dbraw/zinc/49/27/37/1405492737.db2.gz IGDSMORSZVWRKP-OALUTQOASA-N 2 0 337.552 3.362 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+](C)C(C)C ZINC001691798798 1405510624 /nfs/dbraw/zinc/51/06/24/1405510624.db2.gz QFCJLLAZENDYME-SFHVURJKSA-N 2 0 325.541 3.076 10 0 EGAERP CCC/C=C/CC[N@H+](C)C[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001691799039 1405511414 /nfs/dbraw/zinc/51/14/14/1405511414.db2.gz ZQRHWCDPNDMIOJ-UEKDZROGSA-N 2 0 335.536 3.142 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)C)CC(C)(C)C1 ZINC001691819313 1405536185 /nfs/dbraw/zinc/53/61/85/1405536185.db2.gz SLKLENHSLYXIJX-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001691831231 1405545051 /nfs/dbraw/zinc/54/50/51/1405545051.db2.gz LNURPWKHTKKIPX-VAMGGRTRSA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC001691851596 1405567129 /nfs/dbraw/zinc/56/71/29/1405567129.db2.gz SCVQSXGLMHRICZ-HPMXEOQNSA-N 2 0 349.563 3.291 10 0 EGAERP CCCN(C(=O)[C@H](CC)[NH+](C)C)[C@H]1CC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001691863847 1405582158 /nfs/dbraw/zinc/58/21/58/1405582158.db2.gz CKNVKNOXURMUJO-OALUTQOASA-N 2 0 349.563 3.220 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC[C@H]2CC[C@@H]([NH2+]CCC(C)C)C2)C1 ZINC001691910952 1405636080 /nfs/dbraw/zinc/63/60/80/1405636080.db2.gz UFTLOHMKRUOJPR-GBESFXJTSA-N 2 0 337.552 3.029 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001691911751 1405636297 /nfs/dbraw/zinc/63/62/97/1405636297.db2.gz BIVFQIRGICXXMP-PSCPARJHSA-N 2 0 349.563 3.435 10 0 EGAERP CCc1ccccc1C[N@H+]1CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CC ZINC001692011720 1405730649 /nfs/dbraw/zinc/73/06/49/1405730649.db2.gz CWIIXCJUMXGYQD-ZCNNSNEGSA-N 2 0 345.531 3.058 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC2CC[NH+](C)CC2)CC[N@@H+]1CCCC(C)C ZINC001692016030 1405734592 /nfs/dbraw/zinc/73/45/92/1405734592.db2.gz RMXQFQVTSZXSJW-RBUKOAKNSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)C[N@H+](C)CC(C)(C)C ZINC001692120015 1405782071 /nfs/dbraw/zinc/78/20/71/1405782071.db2.gz UMIMWWNPNJWIKU-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C[NH+]2CCCC2)CC(C)(C)C1 ZINC001692280583 1405915849 /nfs/dbraw/zinc/91/58/49/1405915849.db2.gz YPQRIRHEYXLUOD-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCCC[C@H]([NH2+]CCC2CC2)C1 ZINC001692336194 1405956594 /nfs/dbraw/zinc/95/65/94/1405956594.db2.gz IBAMUGJIHBJDQF-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP Cc1ccccc1C[N@@H+](CCCNC(=O)C[NH+]1CC[C@@H](C)C1)C(C)C ZINC001732012421 1428226923 /nfs/dbraw/zinc/22/69/23/1428226923.db2.gz LSRCLPFGIIAIBJ-GOSISDBHSA-N 2 0 345.531 3.054 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CC(C)(C)C1 ZINC001698601982 1406227341 /nfs/dbraw/zinc/22/73/41/1406227341.db2.gz XZTMABDXTPHVRT-PKOBYXMFSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001732024385 1428242430 /nfs/dbraw/zinc/24/24/30/1428242430.db2.gz KTGDUXAQLAUINY-MOPGFXCFSA-N 2 0 331.504 3.106 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)NC[C@@H]([NH2+]CCCC(C)(C)C)c2ccccc2)C1 ZINC001732025248 1428243102 /nfs/dbraw/zinc/24/31/02/1428243102.db2.gz AEYKFPZEPVYSAB-RBUKOAKNSA-N 2 0 345.531 3.212 10 0 EGAERP CCCN(C(=O)CC[C@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732038017 1428261282 /nfs/dbraw/zinc/26/12/82/1428261282.db2.gz BAFDQJBAWNZWRA-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[NH+](CCC)C1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001732038150 1428262395 /nfs/dbraw/zinc/26/23/95/1428262395.db2.gz DNMGQCRIASUFRR-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](CCNC(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732058674 1428304949 /nfs/dbraw/zinc/30/49/49/1428304949.db2.gz IMSHQMLTGNLHHI-ZMBJWTFHSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)C2(C[NH+](C)C)CCCCC2)C1 ZINC001732166987 1428410002 /nfs/dbraw/zinc/41/00/02/1428410002.db2.gz SMASGLUXJGZKPN-GOSISDBHSA-N 2 0 337.552 3.221 10 0 EGAERP CCN(C(=O)[C@H](C)[NH+]1CCCCCC1)[C@@H]1CC[N@H+](CC2CCCC2)C1 ZINC001732187882 1428439212 /nfs/dbraw/zinc/43/92/12/1428439212.db2.gz VSUXLWCFBMAPDB-AZUAARDMSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC[C@H](CC)[NH2+]CC1CCCCCC1 ZINC001732201900 1428452464 /nfs/dbraw/zinc/45/24/64/1428452464.db2.gz SCUJFXPVBICKMW-RBUKOAKNSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001732204090 1428453974 /nfs/dbraw/zinc/45/39/74/1428453974.db2.gz CBBUBWJYBOIKTE-RTBURBONSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(F)cc1 ZINC001732222836 1428471581 /nfs/dbraw/zinc/47/15/81/1428471581.db2.gz KWZXFRJRAYBYRE-RTBURBONSA-N 2 0 349.494 3.073 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC(CC[NH2+]CC3CCCCC3)CC2)C1 ZINC001732299825 1428518926 /nfs/dbraw/zinc/51/89/26/1428518926.db2.gz TUPDNBNRLZXOGB-GOSISDBHSA-N 2 0 349.563 3.127 10 0 EGAERP C[NH+](C)CC1(C(=O)NCc2ccc(C[NH2+]CCC(C)(C)C)cc2)CC1 ZINC001732320152 1428529923 /nfs/dbraw/zinc/52/99/23/1428529923.db2.gz XAHTZKXVHKRPOT-UHFFFAOYSA-N 2 0 345.531 3.170 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001732323630 1428532725 /nfs/dbraw/zinc/53/27/25/1428532725.db2.gz UFBQXDSVYXLZGP-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)N(C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC001732418779 1428573556 /nfs/dbraw/zinc/57/35/56/1428573556.db2.gz IWLKWFXJSJAIGR-QUCCMNQESA-N 2 0 345.531 3.113 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](C)N(C)C(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC001732441616 1428582475 /nfs/dbraw/zinc/58/24/75/1428582475.db2.gz APWPQMALWFRSOE-UYAOXDASSA-N 2 0 345.531 3.194 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)[C@H](C)C[NH2+]CC2CC3(CCC3)C2)C1 ZINC001732444147 1428583629 /nfs/dbraw/zinc/58/36/29/1428583629.db2.gz YYMXCBQABXDYTI-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H](C[NH2+]CCCC2CCC2)C2CCCCC2)C1 ZINC001732477899 1428603991 /nfs/dbraw/zinc/60/39/91/1428603991.db2.gz BOAOQLBWGNRDLF-VQTJNVASSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)CC[NH2+]CC[C@H](C)NC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699101387 1412510305 /nfs/dbraw/zinc/51/03/05/1412510305.db2.gz WGPZQQFAZJURGQ-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@H](CC[NH2+]CC1CCC2(CC2)CC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699109309 1412514292 /nfs/dbraw/zinc/51/42/92/1412514292.db2.gz HIWFBZIWXLLGDD-MJGOQNOKSA-N 2 0 349.563 3.316 10 0 EGAERP CCN(CC[NH2+]Cc1cccc(C)c1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699181297 1412556684 /nfs/dbraw/zinc/55/66/84/1412556684.db2.gz GJXGVBIYALLZGW-UHFFFAOYSA-N 2 0 345.531 3.198 10 0 EGAERP CCN(CC[NH2+][C@H](C)c1cccc(C)c1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001699186177 1412560377 /nfs/dbraw/zinc/56/03/77/1412560377.db2.gz CSEAUWHOSLHTPY-QUCCMNQESA-N 2 0 345.531 3.369 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NC/C=C/C[NH2+]CC2CCC(C)CC2)C1 ZINC001699302079 1412625593 /nfs/dbraw/zinc/62/55/93/1412625593.db2.gz LGASPOCFEHNSPH-DXGMNQLZSA-N 2 0 349.563 3.197 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)NC(=O)[C@@H](C(C)C)[NH+]2CCCC2)cc1C ZINC001699387789 1412700579 /nfs/dbraw/zinc/70/05/79/1412700579.db2.gz HNOYNOCCBMOQNP-UYAOXDASSA-N 2 0 345.531 3.018 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CC(C)C1)NC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001699449645 1412786744 /nfs/dbraw/zinc/78/67/44/1412786744.db2.gz GGAGZCICTILBGX-CGZBRXJRSA-N 2 0 337.552 3.122 10 0 EGAERP C[NH+](C)CCCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC(C)(C)C ZINC001699484765 1412880757 /nfs/dbraw/zinc/88/07/57/1412880757.db2.gz RBXGWKGWPWAKNY-IAGOWNOFSA-N 2 0 325.541 3.029 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699513884 1412900648 /nfs/dbraw/zinc/90/06/48/1412900648.db2.gz YEDJFMSCJDMBKH-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C1CCCC1 ZINC001699624551 1412989838 /nfs/dbraw/zinc/98/98/38/1412989838.db2.gz UVXHYPDULKTVOT-UNQUKWGNSA-N 2 0 347.547 3.330 10 0 EGAERP CC(C)CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C12CC[NH+](CC1)C2 ZINC001699681100 1413075345 /nfs/dbraw/zinc/07/53/45/1413075345.db2.gz KBKGWVYNXYKPKF-YQQQUEKLSA-N 2 0 347.547 3.020 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@]2(CCN(C(=O)C[N@@H+](C)CC(C)(C)C)C2)C1 ZINC001699696108 1413105485 /nfs/dbraw/zinc/10/54/85/1413105485.db2.gz ZMHYLNVOTVCQLN-OAQYLSRUSA-N 2 0 349.563 3.245 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)N2CC[C@]3(CC[NH+](CCCC(C)(C)C)C3)C2)C1 ZINC001699706210 1413122726 /nfs/dbraw/zinc/12/27/26/1413122726.db2.gz OPVGEISCLLTJIR-NQIIRXRSSA-N 2 0 349.563 3.079 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc3c[nH+]cn3c2C)[C@H](C)C1 ZINC001699731209 1413143785 /nfs/dbraw/zinc/14/37/85/1413143785.db2.gz CMYZNSBACZBOFC-ZBFHGGJFSA-N 2 0 328.460 3.026 10 0 EGAERP CCCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CC[C@@H]1CCC[NH+]1C)C2 ZINC001699975451 1413415671 /nfs/dbraw/zinc/41/56/71/1413415671.db2.gz BIYUQPWWVNSECC-OKYOBFRVSA-N 2 0 335.536 3.020 10 0 EGAERP CC1CCC(C[NH2+]CC[C@H]2CCN(C(=O)C[N@H+](C)C3CCC3)C2)CC1 ZINC001700064343 1413481305 /nfs/dbraw/zinc/48/13/05/1413481305.db2.gz BSRVZQDKHMSSIX-ACBHZAAOSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[NH2+][C@H](C)c1ccc(CNC(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001700094173 1413508487 /nfs/dbraw/zinc/50/84/87/1413508487.db2.gz GTVGOULFCPSPLY-VQIMIIECSA-N 2 0 331.504 3.236 10 0 EGAERP C[C@H]([NH2+]C/C=C\Cl)c1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001700095386 1413510150 /nfs/dbraw/zinc/51/01/50/1413510150.db2.gz YMNBFTLQDZNPHN-MCGVISTJSA-N 2 0 349.906 3.190 10 0 EGAERP CN(CCC[N@H+](C)CC1=CCCCC1)C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21 ZINC001700192823 1413624761 /nfs/dbraw/zinc/62/47/61/1413624761.db2.gz CSLRFHQIPIRPKT-PMACEKPBSA-N 2 0 347.547 3.284 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001700195653 1413635490 /nfs/dbraw/zinc/63/54/90/1413635490.db2.gz VJLGACQYAGUDRN-OALUTQOASA-N 2 0 345.531 3.148 10 0 EGAERP C[C@@H]1CCC[C@H](CC[N@H+](C)CCCN(C)C(=O)C[NH+]2CCCC2)C1 ZINC001700203302 1413647547 /nfs/dbraw/zinc/64/75/47/1413647547.db2.gz KGTJZDBVFWLVGM-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)CCC[NH+]2CCCCC2)CC1 ZINC001700289256 1413738626 /nfs/dbraw/zinc/73/86/26/1413738626.db2.gz FGGFBVAMOUGTRV-UHFFFAOYSA-N 2 0 337.552 3.413 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC[N@H+](CCC2=CCCCC2)CC1(C)C)[NH+](C)C ZINC001700293636 1413751119 /nfs/dbraw/zinc/75/11/19/1413751119.db2.gz UPVZUPJWNDEDJY-OALUTQOASA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC[N@@H+]1CCCCCF ZINC001700317267 1413777576 /nfs/dbraw/zinc/77/75/76/1413777576.db2.gz FVUICBGXAOZBKD-IAGOWNOFSA-N 2 0 343.531 3.073 10 0 EGAERP CCCCC[NH+]1CCC2(CCN(C(=O)C[C@H]3CC[N@H+](C)C3)CC2)CC1 ZINC001700332964 1413813172 /nfs/dbraw/zinc/81/31/72/1413813172.db2.gz BQOWVJIFFCBVHE-LJQANCHMSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]CCC1=CCCCC1 ZINC001700418869 1413966315 /nfs/dbraw/zinc/96/63/15/1413966315.db2.gz UWWWPDKGIZENDC-IRXDYDNUSA-N 2 0 337.552 3.338 10 0 EGAERP CC(C)CCC[NH2+][C@H](C)[C@H](C)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001700421677 1413972057 /nfs/dbraw/zinc/97/20/57/1413972057.db2.gz KBBWQHKCTKACGZ-SJORKVTESA-N 2 0 325.541 3.026 10 0 EGAERP C[C@H](NC(=O)C1CC[NH+](CC2CC2)CC1)[C@H](C)[NH2+]CC1CC(C)(C)C1 ZINC001700421482 1413972330 /nfs/dbraw/zinc/97/23/30/1413972330.db2.gz JNJIVOYIKYMQCN-HOTGVXAUSA-N 2 0 349.563 3.027 10 0 EGAERP Cc1c(C(=O)N(C)CC(C)(C)C[NH2+]CC[C@@H](C)F)ccc2c[nH+]cn21 ZINC001700442586 1414015799 /nfs/dbraw/zinc/01/57/99/1414015799.db2.gz HBXPZHJWVGZHHV-CQSZACIVSA-N 2 0 348.466 3.079 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[N@H+](C)CC1CC(C)(C)C1 ZINC001700462135 1414062354 /nfs/dbraw/zinc/06/23/54/1414062354.db2.gz CQBDXJJPQNATLU-INIZCTEOSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CNC(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1)[NH+](C)CC1CCCC1 ZINC001700464122 1414067556 /nfs/dbraw/zinc/06/75/56/1414067556.db2.gz PPSBXWNJTOJGGZ-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)c1ccc(C[NH+](C)[C@H](C)CNC(=O)C[N@@H+]2CC[C@H](C)C2)cc1 ZINC001700474429 1414098419 /nfs/dbraw/zinc/09/84/19/1414098419.db2.gz OOOYDBDGCXCLRY-ZWKOTPCHSA-N 2 0 345.531 3.088 10 0 EGAERP CCCCCC[NH2+]CC1(NC(=O)C2CC[NH+](C)CC2)CCCCC1 ZINC001700512843 1414162522 /nfs/dbraw/zinc/16/25/22/1414162522.db2.gz LMYMGGCZXYGGIF-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CCCC[C@@H](C[NH2+]Cc1cccc(C)c1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001700518842 1414173276 /nfs/dbraw/zinc/17/32/76/1414173276.db2.gz GMNGGUNWLCNAET-VQTJNVASSA-N 2 0 345.531 3.244 10 0 EGAERP CCCC[C@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001700520451 1414175187 /nfs/dbraw/zinc/17/51/87/1414175187.db2.gz MIGPZFMHDGPFIN-OKZBNKHCSA-N 2 0 339.568 3.418 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001700528972 1414194072 /nfs/dbraw/zinc/19/40/72/1414194072.db2.gz NXXOHQGGLDHHLP-GUKTUGNZSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C)c1 ZINC001700665421 1414324435 /nfs/dbraw/zinc/32/44/35/1414324435.db2.gz OKGNVRZSIFWHJE-QUCCMNQESA-N 2 0 345.531 3.162 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C)C(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001732590164 1428811599 /nfs/dbraw/zinc/81/15/99/1428811599.db2.gz NBHSCAPALAMNDE-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCC(C)(C)C)CC2 ZINC001700864247 1414514740 /nfs/dbraw/zinc/51/47/40/1414514740.db2.gz DZNAAWRXWSAOAL-LVCYWYKZSA-N 2 0 349.563 3.410 10 0 EGAERP C[N@H+](CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CC1CC1)CC2)C1CCCCC1 ZINC001700865184 1414516556 /nfs/dbraw/zinc/51/65/56/1414516556.db2.gz JBXJMDCYOYKMOQ-PZJWPPBQSA-N 2 0 347.547 3.164 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001700872559 1414525860 /nfs/dbraw/zinc/52/58/60/1414525860.db2.gz GFACNGIHSNIWMD-XUVXKRRUSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001700900643 1414556099 /nfs/dbraw/zinc/55/60/99/1414556099.db2.gz ZHEIMGIMUOJNCW-LSLCWXNRSA-N 2 0 347.547 3.236 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001700922220 1414574457 /nfs/dbraw/zinc/57/44/57/1414574457.db2.gz UVTYZKSPAUZVNA-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCC/C=C/CC[NH+]1CCC([C@H](C)NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001701010396 1414668822 /nfs/dbraw/zinc/66/88/22/1414668822.db2.gz YREJADBGZHFKLF-RHGXJLFNSA-N 2 0 349.563 3.290 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1=CC[NH+](C[C@@H](C)CC(C)C)CC1 ZINC001701062410 1414719334 /nfs/dbraw/zinc/71/93/34/1414719334.db2.gz AQVRGKJMRPHCDQ-AZUAARDMSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](CC[NH2+]CC1CC(C)(C)C1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001732737702 1428936908 /nfs/dbraw/zinc/93/69/08/1428936908.db2.gz JMCGZHMLPYLLFU-MRXNPFEDSA-N 2 0 345.531 3.282 10 0 EGAERP CC[C@H](C)C[NH2+]C1(CNC(=O)c2sccc2C[NH+](C)C)CCC1 ZINC001733716320 1429935099 /nfs/dbraw/zinc/93/50/99/1429935099.db2.gz QONNABZPMJYAFU-AWEZNQCLSA-N 2 0 337.533 3.098 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CC(C)C ZINC001732961472 1429085868 /nfs/dbraw/zinc/08/58/68/1429085868.db2.gz PRCFGWFNRHBHPH-QUCCMNQESA-N 2 0 345.531 3.018 10 0 EGAERP CC(C)CCC[NH2+]CC[C@H]1[C@H](C)CCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707138900 1417218461 /nfs/dbraw/zinc/21/84/61/1417218461.db2.gz JWHBKLCGZHPFBV-MOPGFXCFSA-N 2 0 349.563 3.125 10 0 EGAERP CCC[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707177207 1417229429 /nfs/dbraw/zinc/22/94/29/1417229429.db2.gz VSICWLAXGSAUPE-RTBURBONSA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](C(C)C)CC2)[C@H]1CC ZINC001707203306 1417242986 /nfs/dbraw/zinc/24/29/86/1417242986.db2.gz DRMTVMJFEOUJMZ-OYQYDDJWSA-N 2 0 349.563 3.432 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N2CCCCC[C@@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001707246734 1417264103 /nfs/dbraw/zinc/26/41/03/1417264103.db2.gz NJGRVMSFRKMCLL-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001707434441 1417338908 /nfs/dbraw/zinc/33/89/08/1417338908.db2.gz KLPDWKIXSXYZSZ-OALUTQOASA-N 2 0 337.552 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)CC1CCCCC1 ZINC001707452464 1417356031 /nfs/dbraw/zinc/35/60/31/1417356031.db2.gz QBVRFIPZGQVXCC-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)CC1CC(C)(C)C1 ZINC001707470936 1417371475 /nfs/dbraw/zinc/37/14/75/1417371475.db2.gz YOEULMJSKBROAA-IRXDYDNUSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@@H](C(=O)NCCC[N@H+](C)CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001712976058 1417529112 /nfs/dbraw/zinc/52/91/12/1417529112.db2.gz WRGIYZRFLJDCOJ-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP C[C@H](C(=O)NCCC[N@H+](C)CC1CCCCC1)[NH+]1CCCCCC1 ZINC001712975844 1417529704 /nfs/dbraw/zinc/52/97/04/1417529704.db2.gz OMMXEOOWHMRKQC-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)CCCC(C)(C)C ZINC001712990942 1417541986 /nfs/dbraw/zinc/54/19/86/1417541986.db2.gz KJCGMRVJNVDNON-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001712990936 1417542361 /nfs/dbraw/zinc/54/23/61/1417542361.db2.gz KCAULSNWDXLGPU-IEBWSBKVSA-N 2 0 331.504 3.060 10 0 EGAERP C[C@H]([NH2+]CCCC(C)(C)C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001713004711 1417558559 /nfs/dbraw/zinc/55/85/59/1417558559.db2.gz RYQWQNXDYXNDKI-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C3CCC3)C2)c1 ZINC001713084142 1417629979 /nfs/dbraw/zinc/62/99/79/1417629979.db2.gz OJBJDAFJGYFKSM-MSOLQXFVSA-N 2 0 343.515 3.039 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1CCCCC1)C1CC1 ZINC001713121513 1417687659 /nfs/dbraw/zinc/68/76/59/1417687659.db2.gz LASYHACWBZJZEY-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)C[C@@H]2CC[NH+](C)C2)C1 ZINC001713135836 1417716059 /nfs/dbraw/zinc/71/60/59/1417716059.db2.gz RRRKHVOZBIYLGB-PMACEKPBSA-N 2 0 349.563 3.079 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H]2C[C@H]([NH2+]CCCC3CCCC3)C2)C1 ZINC001713166286 1417739994 /nfs/dbraw/zinc/73/99/94/1417739994.db2.gz NWPXXFGMHKXWAT-VAMGGRTRSA-N 2 0 349.563 3.316 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001713166409 1417740151 /nfs/dbraw/zinc/74/01/51/1417740151.db2.gz RMXNNHWUKPQXBW-LJNMZNKLSA-N 2 0 347.547 3.377 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2C[N@H+](CCCC(C)(C)C)CC[C@H]21 ZINC001713182590 1417757109 /nfs/dbraw/zinc/75/71/09/1417757109.db2.gz OXJVLYINFAHGDC-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C[NH2+]CCCC3CCCC3)C2)C1 ZINC001713239357 1417825355 /nfs/dbraw/zinc/82/53/55/1417825355.db2.gz SQVCQKPLCSQIJG-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CC1CCC(C[N@@H+]2CCCC[C@H]2CNC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001713253539 1417848114 /nfs/dbraw/zinc/84/81/14/1417848114.db2.gz SFNRURDDZXVNPW-ACBHZAAOSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001713343496 1417965446 /nfs/dbraw/zinc/96/54/46/1417965446.db2.gz VUMLIDZLAQBDSS-KJPDOMRESA-N 2 0 349.544 3.218 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001713357665 1417973836 /nfs/dbraw/zinc/97/38/36/1417973836.db2.gz YPVLACCNHHOPQS-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001713418234 1418041959 /nfs/dbraw/zinc/04/19/59/1418041959.db2.gz ANPLYSDYPQRDAC-RTBURBONSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@H](CCNC(=O)c1cccc(C[NH+](C)C)c1)[NH2+]CC1=CCCCC1 ZINC001713423518 1418050043 /nfs/dbraw/zinc/05/00/43/1418050043.db2.gz URSPLVDFZQGVRC-QGZVFWFLSA-N 2 0 343.515 3.347 10 0 EGAERP CC[N@H+](CCNC(=O)c1cccc(C[NH+](C)C)c1)Cc1ccsc1 ZINC001713497217 1418208925 /nfs/dbraw/zinc/20/89/25/1418208925.db2.gz GEJJHPJTQGHULQ-UHFFFAOYSA-N 2 0 345.512 3.062 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]CC1CCC2(CC2)CC1 ZINC001733104270 1429243947 /nfs/dbraw/zinc/24/39/47/1429243947.db2.gz HLRXARKHXKFQMT-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](CCNC(=O)[C@H]1CC[NH+](C)[C@@H]1CC)Cc1ccccc1C ZINC001713546808 1418318102 /nfs/dbraw/zinc/31/81/02/1418318102.db2.gz ZJJAYDNCGLBNCD-VQTJNVASSA-N 2 0 345.531 3.054 10 0 EGAERP CCCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001713677957 1418429612 /nfs/dbraw/zinc/42/96/12/1418429612.db2.gz RECDZQAWRJELOK-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CC[NH2+][C@H](CNC(=O)CC[C@H]1CCC[N@@H+]1C)c1ccc(C(C)C)cc1 ZINC001713697090 1418452241 /nfs/dbraw/zinc/45/22/41/1418452241.db2.gz CTZQVNOVPWJRCS-WOJBJXKFSA-N 2 0 345.531 3.451 10 0 EGAERP CCC[N@@H+]1CC[C@@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001713734548 1418526198 /nfs/dbraw/zinc/52/61/98/1418526198.db2.gz PEDIQEGUMMAUKJ-MJGOQNOKSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001713751386 1418552975 /nfs/dbraw/zinc/55/29/75/1418552975.db2.gz UBZQOUQXNZMORY-QUCCMNQESA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713771969 1418587204 /nfs/dbraw/zinc/58/72/04/1418587204.db2.gz KRJCBIORQMNZKN-DSQZMVHQSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001713782023 1418598034 /nfs/dbraw/zinc/59/80/34/1418598034.db2.gz BMHMJKKEPWWXNV-VOTSOKGWSA-N 2 0 335.536 3.140 10 0 EGAERP CC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CC[C@H]2CCCC[NH+]21 ZINC001713908854 1418705581 /nfs/dbraw/zinc/70/55/81/1418705581.db2.gz ZZPHCHQHZGBEHY-POZRZFPSSA-N 2 0 345.531 3.035 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001713913412 1418709299 /nfs/dbraw/zinc/70/92/99/1418709299.db2.gz XBGLMMIYHJEACK-WTGUMLROSA-N 2 0 349.563 3.218 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@H]1CC[NH+](CC2CCC(C)(C)CC2)C1 ZINC001713952597 1418736119 /nfs/dbraw/zinc/73/61/19/1418736119.db2.gz URWCESCIPUXRJL-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1C[C@H]([NH2+]CCC2CCCCC2)C1)CC(C)(C)C ZINC001713959748 1418741075 /nfs/dbraw/zinc/74/10/75/1418741075.db2.gz RQVFSYXGMNZBFA-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H]2CCCC[NH+]2CC)C1 ZINC001714047503 1418843901 /nfs/dbraw/zinc/84/39/01/1418843901.db2.gz AKNSBOOEBKLFSM-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001714071579 1418866642 /nfs/dbraw/zinc/86/66/42/1418866642.db2.gz MIJAFPZGPMXZDW-GOSISDBHSA-N 2 0 349.563 3.434 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]Cc1ccc(C)cc1C ZINC001714075633 1418870332 /nfs/dbraw/zinc/87/03/32/1418870332.db2.gz YUEJFOYMUKZIJM-VQTJNVASSA-N 2 0 345.531 3.161 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1=CCCCC1 ZINC001714078083 1418872422 /nfs/dbraw/zinc/87/24/22/1418872422.db2.gz BZDLEJCQPGMRSV-UYAOXDASSA-N 2 0 347.547 3.378 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC001714079292 1418873510 /nfs/dbraw/zinc/87/35/10/1418873510.db2.gz HSEJVCRNTMMWQM-RGOVZJGCSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+]Cc1c(C)cccc1C ZINC001714095645 1418889333 /nfs/dbraw/zinc/88/93/33/1418889333.db2.gz KZTMKXCVSZEEEJ-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]Cc1c(C)cccc1C ZINC001714099657 1418895835 /nfs/dbraw/zinc/89/58/35/1418895835.db2.gz QLUSTHRUTCOSNH-FHWLQOOXSA-N 2 0 345.531 3.018 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCC[NH+]1CCC1CCCC1 ZINC001714106501 1418905976 /nfs/dbraw/zinc/90/59/76/1418905976.db2.gz AREQXMFYIXMFIV-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CCCC[N@@H+]1CC1CCCC1 ZINC001714118266 1418922240 /nfs/dbraw/zinc/92/22/40/1418922240.db2.gz NUAIAHAONWIWDH-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)[NH2+]Cc1ccccc1C ZINC001714125002 1418929330 /nfs/dbraw/zinc/92/93/30/1418929330.db2.gz LNFOBGGWMPSNMV-VQTJNVASSA-N 2 0 345.531 3.100 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCCCN1C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001714129646 1418933509 /nfs/dbraw/zinc/93/35/09/1418933509.db2.gz PJRZTBUPCDSNKI-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP Cc1c(C(=O)NC2(C[NH2+]CCC(C)C)CCCC2)ccc2c[nH+]cn21 ZINC001714137345 1418940433 /nfs/dbraw/zinc/94/04/33/1418940433.db2.gz NCKGLDXABDKFGZ-UHFFFAOYSA-N 2 0 342.487 3.321 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001714143334 1418945898 /nfs/dbraw/zinc/94/58/98/1418945898.db2.gz AREDQGDKVFDNMJ-MOPGFXCFSA-N 2 0 337.552 3.364 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1[C@@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001714144018 1418947107 /nfs/dbraw/zinc/94/71/07/1418947107.db2.gz ITGGQWYSIDBHQP-MOPGFXCFSA-N 2 0 335.536 3.118 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@@H](C)[C@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001714155192 1418964698 /nfs/dbraw/zinc/96/46/98/1418964698.db2.gz FBIWRASFOXHEOJ-ICSRJNTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH2+]C[C@@]1(NC(=O)CC2CC[NH+](C)CC2)CCCC[C@@H]1C ZINC001714187510 1418994521 /nfs/dbraw/zinc/99/45/21/1418994521.db2.gz JGQVAMNKQZNMME-RXVVDRJESA-N 2 0 349.563 3.339 10 0 EGAERP CCCC[NH2+]C1CCC(NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001714191331 1418998131 /nfs/dbraw/zinc/99/81/31/1418998131.db2.gz HPAKXVIDOGHNOG-UHFFFAOYSA-N 2 0 337.552 3.316 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714239671 1419028697 /nfs/dbraw/zinc/02/86/97/1419028697.db2.gz VMIVFHVNNQCDQM-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC1CCCCC1 ZINC001714242309 1419030654 /nfs/dbraw/zinc/03/06/54/1419030654.db2.gz ZFKIUSGOHBPOAH-PXNSSMCTSA-N 2 0 349.563 3.458 10 0 EGAERP CCC/C=C\CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC001714252968 1419038210 /nfs/dbraw/zinc/03/82/10/1419038210.db2.gz BREDIHDLUGZZGY-VOFKWLDRSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cc(C(C)(C)C)cc(C)c1C[NH2+][C@@H](C)CNC(=O)CC[NH+](C)C ZINC001714269709 1419050862 /nfs/dbraw/zinc/05/08/62/1419050862.db2.gz IASIQBJVRHAQIA-KRWDZBQOSA-N 2 0 347.547 3.147 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1CC[C@H]([NH2+]CCCF)CC1 ZINC001714301988 1419082416 /nfs/dbraw/zinc/08/24/16/1419082416.db2.gz LEUNDOAJFZHWPB-WKILWMFISA-N 2 0 341.515 3.016 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]C[C@@H]2CC[C@H]3C[C@H]3C2)CC1 ZINC001714313947 1419094669 /nfs/dbraw/zinc/09/46/69/1419094669.db2.gz YPNPORMHNHFWSU-USYVTKNRSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001714399577 1419143457 /nfs/dbraw/zinc/14/34/57/1419143457.db2.gz JGARMCSOWTZRCY-QFBILLFUSA-N 2 0 345.531 3.020 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714401033 1419144131 /nfs/dbraw/zinc/14/41/31/1419144131.db2.gz HYBWJJAPFSTFTO-MSOLQXFVSA-N 2 0 337.552 3.458 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@@H]([NH+](C)CC(CC)CC)C1 ZINC001714439386 1419171123 /nfs/dbraw/zinc/17/11/23/1419171123.db2.gz QTUDBEMRSOGMEV-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H]2CCC[NH+](CCC)C2)C1 ZINC001714444972 1419176783 /nfs/dbraw/zinc/17/67/83/1419176783.db2.gz DADJUCBLHCIHBH-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H]([N@H+](C)Cc2ccccc2)C1)[NH+](CC)CC ZINC001714449293 1419182102 /nfs/dbraw/zinc/18/21/02/1419182102.db2.gz QTXNTOMFICHXHL-UXHICEINSA-N 2 0 345.531 3.230 10 0 EGAERP CC(C)CC[N@H+](C)[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714453134 1419185956 /nfs/dbraw/zinc/18/59/56/1419185956.db2.gz HDFADKGXJHPVDD-RBUKOAKNSA-N 2 0 337.552 3.076 10 0 EGAERP C[N@H+](CC(=O)NCC1([NH2+]CC2=CCCCC2)CCCC1)CC(C)(C)C ZINC001714505627 1419232913 /nfs/dbraw/zinc/23/29/13/1419232913.db2.gz RBIFPOLOTNVAMH-UHFFFAOYSA-N 2 0 349.563 3.483 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](C)[C@H](C)c1ccc(F)cc1)[NH+]1CCCC1 ZINC001714571406 1419303490 /nfs/dbraw/zinc/30/34/90/1419303490.db2.gz CPNMVAYACRMPAC-VQIMIIECSA-N 2 0 349.494 3.055 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCCC[NH+]1C(C)C)CC1CC(C)(C)C1 ZINC001714595147 1419346392 /nfs/dbraw/zinc/34/63/92/1419346392.db2.gz OONJVJBLCXEIOB-GOSISDBHSA-N 2 0 337.552 3.124 10 0 EGAERP Cc1ccccc1[C@H](C)[N@@H+]1CCC[C@@H]1CNC(=O)CCCC[NH+](C)C ZINC001714616234 1419378865 /nfs/dbraw/zinc/37/88/65/1419378865.db2.gz ANZUPVOFRPDQJA-RBUKOAKNSA-N 2 0 345.531 3.369 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001714636466 1419407530 /nfs/dbraw/zinc/40/75/30/1419407530.db2.gz TVXUZUGGLPBMLC-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)CC(=O)NC[C@@H]1CC[NH+]([C@@H](C)c2cc(C)ccc2C)C1 ZINC001714650279 1419427786 /nfs/dbraw/zinc/42/77/86/1419427786.db2.gz RETVVIKKWQUCLN-OALUTQOASA-N 2 0 345.531 3.144 10 0 EGAERP CCC[N@H+](CCNC(=O)CC1CC[NH+](C)CC1)CC1=CCCCC1 ZINC001714658139 1419440334 /nfs/dbraw/zinc/44/03/34/1419440334.db2.gz IEZCQEHTTVXHAH-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1CCCC1)[C@H](C)c1cc(C)ccc1C ZINC001714658696 1419441840 /nfs/dbraw/zinc/44/18/40/1419441840.db2.gz BPZSYIFWLNRHDA-LJQANCHMSA-N 2 0 345.531 3.288 10 0 EGAERP CC(C)[C@H](C(=O)N(C)CC[NH2+][C@@H](C)c1ccccc1F)[NH+]1CCCC1 ZINC001714795869 1419512492 /nfs/dbraw/zinc/51/24/92/1419512492.db2.gz BVMAGVRMQOINRY-QFBILLFUSA-N 2 0 349.494 3.055 10 0 EGAERP CC/C=C/CC[NH2+][C@@H](C)C1CCN(C(=O)C[N@H+](C)C2CCC2)CC1 ZINC001714806759 1419519083 /nfs/dbraw/zinc/51/90/83/1419519083.db2.gz LKPYVSRKTROZSZ-RTRPANQVSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H]([NH2+]CCC1CCCCC1)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001714813037 1419523991 /nfs/dbraw/zinc/52/39/91/1419523991.db2.gz FPYRTYDWUGMKEV-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C(C)C)Cc1ccccc1 ZINC001714822732 1419532982 /nfs/dbraw/zinc/53/29/82/1419532982.db2.gz VMQYVMWLFACQIR-FQEVSTJZSA-N 2 0 345.531 3.276 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)c1ccccc1 ZINC001714839744 1419552475 /nfs/dbraw/zinc/55/24/75/1419552475.db2.gz MONXBZMQFMRTAY-RBUKOAKNSA-N 2 0 331.504 3.105 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[NH+]1C(C)C)[C@H]1CC[N@H+](CC=C(C)C)C1 ZINC001714856668 1419573859 /nfs/dbraw/zinc/57/38/59/1419573859.db2.gz RWRRPJCYSDNRJI-OALUTQOASA-N 2 0 335.536 3.138 10 0 EGAERP C[N@@H+](CC1=CCCCC1)C[C@@H]1CCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001714910728 1419656669 /nfs/dbraw/zinc/65/66/69/1419656669.db2.gz ZJPRFYBZXVIRTC-FQEVSTJZSA-N 2 0 347.547 3.143 10 0 EGAERP CC/C=C/CC[N@H+](C)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)CC1 ZINC001714915154 1419664844 /nfs/dbraw/zinc/66/48/44/1419664844.db2.gz ZCNAAQBPEUFOAK-YJJPMGAVSA-N 2 0 349.563 3.386 10 0 EGAERP Cc1cccc([C@@H](C)[N@@H+]2CCC[C@@H](NC(=O)CCCC[NH+](C)C)C2)c1 ZINC001714922872 1419675864 /nfs/dbraw/zinc/67/58/64/1419675864.db2.gz XMPGINSSLYAHPS-UYAOXDASSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)[NH2+]C[C@H](NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)C1CCCCC1 ZINC001714980658 1419715436 /nfs/dbraw/zinc/71/54/36/1419715436.db2.gz UIGFBEOCULDPCG-OALUTQOASA-N 2 0 337.552 3.312 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001714992134 1419724502 /nfs/dbraw/zinc/72/45/02/1419724502.db2.gz MINOYIIYRFJRJZ-GRMGMVGISA-N 2 0 347.547 3.138 10 0 EGAERP CC[C@H](C(=O)N(C)[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001715018576 1419749862 /nfs/dbraw/zinc/74/98/62/1419749862.db2.gz IAMIDCICVRQIIP-RBUKOAKNSA-N 2 0 337.552 3.220 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)C(C)(C)[N@H+](C)C2CCCC2)C[C@H]1C ZINC001715019936 1419750931 /nfs/dbraw/zinc/75/09/31/1419750931.db2.gz HUMJLEHKWYGWQP-SJLPKXTDSA-N 2 0 337.552 3.266 10 0 EGAERP CCN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@@H]1CC[N@H+](Cc2ccsc2)C1 ZINC001715040630 1419779575 /nfs/dbraw/zinc/77/95/75/1419779575.db2.gz RRFGOOFIMPUEDU-ZWKOTPCHSA-N 2 0 349.544 3.045 10 0 EGAERP CC[C@H](CNC(=O)C[C@@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715088221 1419828230 /nfs/dbraw/zinc/82/82/30/1419828230.db2.gz WRDFRUWNZBZJCF-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)cc1C ZINC001715192062 1419923940 /nfs/dbraw/zinc/92/39/40/1419923940.db2.gz VKBPVGFTMKXNLM-MXVIHJGJSA-N 2 0 345.531 3.161 10 0 EGAERP CC/C=C\CC[NH2+]CC[C@@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001715238552 1419968882 /nfs/dbraw/zinc/96/88/82/1419968882.db2.gz ZWROPAAQMGTYTM-FBQMEGEOSA-N 2 0 349.563 3.435 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCCC[C@H]1CC[NH2+]CC1CC1 ZINC001715251820 1419976226 /nfs/dbraw/zinc/97/62/26/1419976226.db2.gz NCFKWGWTZMOUHG-IBGZPJMESA-N 2 0 335.536 3.023 10 0 EGAERP C[C@@H](CNC(=O)CC[NH+](C)C)C[NH2+][C@@H](C)c1cccc2ccccc21 ZINC001715251613 1419976294 /nfs/dbraw/zinc/97/62/94/1419976294.db2.gz RMWSKZMUHCGSQO-SJORKVTESA-N 2 0 341.499 3.194 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001715306223 1420015194 /nfs/dbraw/zinc/01/51/94/1420015194.db2.gz HUPPWYCAGTWQSG-RTBURBONSA-N 2 0 347.547 3.045 10 0 EGAERP C[C@@H]([NH2+]CCC1=CCCCC1)[C@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001715313770 1420023240 /nfs/dbraw/zinc/02/32/40/1420023240.db2.gz JIEBNVKFDZSPEX-QUCCMNQESA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@H](C)N(C)C(=O)C2([NH+](C)C)CCC2)cc1 ZINC001715336363 1420040467 /nfs/dbraw/zinc/04/04/67/1420040467.db2.gz JHZFFFUVHZNIKN-KRWDZBQOSA-N 2 0 345.531 3.231 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001715349872 1420050753 /nfs/dbraw/zinc/05/07/53/1420050753.db2.gz ACMBBYATLMWVGI-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCCC1)C1CCCCC1 ZINC001715404424 1420103028 /nfs/dbraw/zinc/10/30/28/1420103028.db2.gz KNLLOYUMQTUIAP-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2CC[NH2+]CC2CCCCC2)C1 ZINC001715445567 1420129890 /nfs/dbraw/zinc/12/98/90/1420129890.db2.gz JNZGIUQQFBGZRZ-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733247856 1429394147 /nfs/dbraw/zinc/39/41/47/1429394147.db2.gz TYPXTZBTWQVSQR-RTBURBONSA-N 2 0 347.547 3.212 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001715463931 1420143294 /nfs/dbraw/zinc/14/32/94/1420143294.db2.gz IIVXJIMRNQOEOH-MSOLQXFVSA-N 2 0 337.552 3.147 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC(CC[N@H+](C)CC2CCCCC2)CC1 ZINC001715483225 1420162193 /nfs/dbraw/zinc/16/21/93/1420162193.db2.gz XCTZCKMKNFELJG-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](CNC(=O)CC[C@H]2CCC[N@@H+]2C)C(C)C)cc1 ZINC001715489791 1420171299 /nfs/dbraw/zinc/17/12/99/1420171299.db2.gz HPAGZVKOILLHLB-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001715494254 1420175680 /nfs/dbraw/zinc/17/56/80/1420175680.db2.gz WCQQBABULRIXFP-OALUTQOASA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)CC[NH2+][C@@H](CNC(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C(C)C ZINC001715494256 1420175698 /nfs/dbraw/zinc/17/56/98/1420175698.db2.gz WCQQBABULRIXFP-RBUKOAKNSA-N 2 0 337.552 3.170 10 0 EGAERP CC(C)[C@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCCCCC1 ZINC001715501208 1420183447 /nfs/dbraw/zinc/18/34/47/1420183447.db2.gz ASUGPKNRPXLJFK-MOPGFXCFSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N(C)CC[NH+](C)Cc1ccc(C(C)(C)C)cc1 ZINC001715540227 1420237788 /nfs/dbraw/zinc/23/77/88/1420237788.db2.gz UMVFOCZHZXFUTA-UHFFFAOYSA-N 2 0 347.547 3.215 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)c1sccc1C[NH+](C)C ZINC001715557214 1420251087 /nfs/dbraw/zinc/25/10/87/1420251087.db2.gz CFNMRVPJTGEYLO-HOCLYGCPSA-N 2 0 337.533 3.098 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715561781 1420253538 /nfs/dbraw/zinc/25/35/38/1420253538.db2.gz SOWQOWIZPRMXQB-ZYHOBAKYSA-N 2 0 349.563 3.482 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@H](C)CC[NH2+]Cc2cc(C)cc(C)c2)CC[N@@H+]1C ZINC001715646658 1420278063 /nfs/dbraw/zinc/27/80/63/1420278063.db2.gz LSEUAQRHRDSHRV-YZGWKJHDSA-N 2 0 345.531 3.018 10 0 EGAERP CCN(CC[NH2+]CC[C@@H]1CCC[C@@H](C)C1)C(=O)C12CCC[NH+]1CCC2 ZINC001715740060 1420319897 /nfs/dbraw/zinc/31/98/97/1420319897.db2.gz NYSCRGWIWJVGNP-MOPGFXCFSA-N 2 0 349.563 3.269 10 0 EGAERP CN(CC[N@H+](C)C[C@@H]1CC[C@H]2C[C@H]2C1)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001715827656 1420358861 /nfs/dbraw/zinc/35/88/61/1420358861.db2.gz KDDCYPJKEOVUOV-CEXWTWQISA-N 2 0 349.563 3.077 10 0 EGAERP CC1CC(C[NH2+]C/C=C/CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001715858239 1420369840 /nfs/dbraw/zinc/36/98/40/1420369840.db2.gz BPGFNGDRLBSZEK-NYESIXLHSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)[NH+]1CCC[C@H]1C(=O)N[C@H](C)C[N@H+](C)CCC1=CCCCC1 ZINC001716026422 1420483472 /nfs/dbraw/zinc/48/34/72/1420483472.db2.gz FHJSIEUGFROHRM-MJGOQNOKSA-N 2 0 335.536 3.186 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@@H]2[C@H](CC[NH+]2CC2CCC2)C1 ZINC001716049511 1420513774 /nfs/dbraw/zinc/51/37/74/1420513774.db2.gz BSRHLSKXCZWUTI-WOJBJXKFSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)[NH+]3CCCCC3)CC[C@@H]21 ZINC001716051532 1420515767 /nfs/dbraw/zinc/51/57/67/1420515767.db2.gz ZTAYFUVTAIPYSF-MOPGFXCFSA-N 2 0 349.563 3.364 10 0 EGAERP O=C(N[C@@H]1CCC[C@@H]1C[NH2+]CCC1CCCC1)C12CCC[NH+]1CCC2 ZINC001716063183 1420523006 /nfs/dbraw/zinc/52/30/06/1420523006.db2.gz KARMAPVLOLMMBB-RTBURBONSA-N 2 0 347.547 3.070 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716064389 1420523477 /nfs/dbraw/zinc/52/34/77/1420523477.db2.gz ZJUWJHQRGYGLOF-OALUTQOASA-N 2 0 349.563 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(CC)CC[NH2+]Cc2cccc(C)c2)C1 ZINC001716235656 1420575716 /nfs/dbraw/zinc/57/57/16/1420575716.db2.gz QAHJDOAALBEPAP-FQEVSTJZSA-N 2 0 345.531 3.055 10 0 EGAERP C[C@H](C[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716401064 1420635138 /nfs/dbraw/zinc/63/51/38/1420635138.db2.gz AFCMGSVYTLQZIE-OAHLLOKOSA-N 2 0 325.541 3.170 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CCC[NH+](C)C)CC2)C1 ZINC001733267538 1429427530 /nfs/dbraw/zinc/42/75/30/1429427530.db2.gz XMMPIICGNNHHRN-RRFGBZISSA-N 2 0 349.563 3.245 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+]C[C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)c1 ZINC001716441177 1420661121 /nfs/dbraw/zinc/66/11/21/1420661121.db2.gz JOVPVQRAHXWAEY-SCTDSRPQSA-N 2 0 333.520 3.045 10 0 EGAERP C[C@@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716443021 1420661456 /nfs/dbraw/zinc/66/14/56/1420661456.db2.gz STVDHXQTTZBMCK-HNNXBMFYSA-N 2 0 337.552 3.170 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001716442273 1420661702 /nfs/dbraw/zinc/66/17/02/1420661702.db2.gz AFCMGSVYTLQZIE-HNNXBMFYSA-N 2 0 325.541 3.170 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001716448176 1420665182 /nfs/dbraw/zinc/66/51/82/1420665182.db2.gz VLQWQOMEUIHEPT-ROUUACIJSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@@H](C[N@H+](C)CC1CCC1)NC(=O)[C@H]1CCCC[NH+]1C1CCCC1 ZINC001716492840 1420714679 /nfs/dbraw/zinc/71/46/79/1420714679.db2.gz XFWIWDPBDLMTJK-QFBILLFUSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C1CC[NH+](C(C)C)CC1 ZINC001716521133 1420749308 /nfs/dbraw/zinc/74/93/08/1420749308.db2.gz IBMASICFCTWWLU-VQTJNVASSA-N 2 0 349.563 3.338 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](C2CCN(C(=O)C[C@H]3CC[NH+](C)C3)CC2)C1 ZINC001716704569 1420858772 /nfs/dbraw/zinc/85/87/72/1420858772.db2.gz WVJBUIFCIQLZQK-UYAOXDASSA-N 2 0 349.563 3.079 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@]3(C2)CCC[NH+](CCCC(C)(C)C)C3)C1 ZINC001716723498 1420881077 /nfs/dbraw/zinc/88/10/77/1420881077.db2.gz KDUDVGYWOAAWEE-NQIIRXRSSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@]2(CCN(C(=O)CCCC[NH+](C)C)C2)C1 ZINC001716734612 1420893180 /nfs/dbraw/zinc/89/31/80/1420893180.db2.gz CVHRTXJXRWZUIP-FQEVSTJZSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)(C(=O)N1CCC[C@H]1C[NH2+]CCCC1CCCC1)[NH+]1CCCC1 ZINC001716782004 1420919881 /nfs/dbraw/zinc/91/98/81/1420919881.db2.gz QEKBMVZQAILYIF-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@H]1CCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001716787201 1420922244 /nfs/dbraw/zinc/92/22/44/1420922244.db2.gz PQWIHKAAFAKJSU-UEKDZROGSA-N 2 0 335.536 3.045 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N[C@]1(C)CC[NH+](CCCC(C)(C)C)C1 ZINC001716844467 1420970574 /nfs/dbraw/zinc/97/05/74/1420970574.db2.gz UFQBGRDJYGXOPR-FXAWDEMLSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001716864099 1420993688 /nfs/dbraw/zinc/99/36/88/1420993688.db2.gz AFPXWZLXRQDJCC-CTNGQTDRSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[NH+]2CCCC2)CC1 ZINC001716889586 1421013710 /nfs/dbraw/zinc/01/37/10/1421013710.db2.gz PFDFVAKFHCXZIR-WAYWQWQTSA-N 2 0 335.536 3.047 10 0 EGAERP CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C(C)(C)[NH+](C)C1CCCC1)C2 ZINC001716998895 1421068304 /nfs/dbraw/zinc/06/83/04/1421068304.db2.gz JSANAKMJJNZDAW-GGPHIMKMSA-N 2 0 349.563 3.409 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCC1 ZINC001717038118 1421092703 /nfs/dbraw/zinc/09/27/03/1421092703.db2.gz NVACPSAORCQEOE-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@H+](CCC1CC1)Cc1ccccc1CNC(=O)[C@@H]1CCCC[NH+]1C ZINC001717113151 1421116574 /nfs/dbraw/zinc/11/65/74/1421116574.db2.gz GGBFKPBHWFAKMR-FQEVSTJZSA-N 2 0 343.515 3.019 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCCC2CCCC2)CCC1 ZINC001717149901 1421141007 /nfs/dbraw/zinc/14/10/07/1421141007.db2.gz GWIUPINOATZJJP-IBGZPJMESA-N 2 0 349.563 3.458 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C[NH+]3CC[C@H](C)C3)C2)C1 ZINC001733287470 1429462350 /nfs/dbraw/zinc/46/23/50/1429462350.db2.gz FXGLXLHOEYUKNY-PZJWPPBQSA-N 2 0 349.563 3.223 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@H]([NH2+]Cc2ccc(C(C)C)cc2)[C@@H](C)C1 ZINC001717290057 1421237055 /nfs/dbraw/zinc/23/70/55/1421237055.db2.gz FWTBHXQZQACLIO-PXNSSMCTSA-N 2 0 345.531 3.088 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@H]1C ZINC001717334095 1421270286 /nfs/dbraw/zinc/27/02/86/1421270286.db2.gz PNDXWQJXYXDGAK-DFOOCIKTSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@H]1C[C@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCC1CCCCC1 ZINC001717336982 1421273825 /nfs/dbraw/zinc/27/38/25/1421273825.db2.gz IKLSOWOKNURFRI-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2CCCCC2)[C@@H](C)C1 ZINC001717338815 1421276396 /nfs/dbraw/zinc/27/63/96/1421276396.db2.gz ATUAFCCBHHUUSP-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001717370197 1421308382 /nfs/dbraw/zinc/30/83/82/1421308382.db2.gz CUWUAGCCWUUULE-YTQUADARSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@H](NC(=O)C[N@H+](C)C1CCC1)[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1 ZINC001717412320 1421343924 /nfs/dbraw/zinc/34/39/24/1421343924.db2.gz DYGKQBZIDOKRLW-HOTGVXAUSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(C2CC2)cc1)[C@H](C)NC(=O)C[N@H+](C)C1CCC1 ZINC001717412319 1421343933 /nfs/dbraw/zinc/34/39/33/1421343933.db2.gz DYGKQBZIDOKRLW-CVEARBPZSA-N 2 0 343.515 3.031 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N(C)CC(C)(C)C[NH2+]CCC(C)(C)C ZINC001717459952 1421389665 /nfs/dbraw/zinc/38/96/65/1421389665.db2.gz UBKHEDBLDOBBLS-CALCHBBNSA-N 2 0 339.568 3.370 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCCC1CCCC1 ZINC001717471806 1421405217 /nfs/dbraw/zinc/40/52/17/1421405217.db2.gz GBHVCTOXRHAIIC-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCCC[N@H+](C)[C@H](C)CNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1 ZINC001717486640 1421423594 /nfs/dbraw/zinc/42/35/94/1421423594.db2.gz BLXQNJFMTPURFE-VQIMIIECSA-N 2 0 343.531 3.216 10 0 EGAERP CC(C)[C@@H](CCN(C)C(=O)C12CC[NH+](CC1)C2)[NH2+]CC1=CCCCC1 ZINC001717516802 1421453832 /nfs/dbraw/zinc/45/38/32/1421453832.db2.gz QCYKGADDKFMYEJ-LJQANCHMSA-N 2 0 347.547 3.045 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC1(C[NH2+]CC2CCCCCC2)CCCCC1 ZINC001717525679 1421461205 /nfs/dbraw/zinc/46/12/05/1421461205.db2.gz YYPBVPQNFCPPGW-LJQANCHMSA-N 2 0 349.563 3.460 10 0 EGAERP CC/C=C/CC[N@@H+]1CCCCC[C@H]1CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC001717538947 1421477932 /nfs/dbraw/zinc/47/79/32/1421477932.db2.gz WBLDQJYMPVRTNV-PXEQJPNCSA-N 2 0 337.552 3.290 10 0 EGAERP CC/C=C/CC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001717547971 1421487083 /nfs/dbraw/zinc/48/70/83/1421487083.db2.gz CYESAKBMVILOLA-LXXRFIIISA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001717550662 1421488530 /nfs/dbraw/zinc/48/85/30/1421488530.db2.gz DPVSKKTXRKVUGX-PXNSSMCTSA-N 2 0 349.563 3.266 10 0 EGAERP C[C@@H](NC(=O)CC[C@@H]1CCC[N@@H+]1C)C1C[NH+](CCC2=CCCCC2)C1 ZINC001717551369 1421489184 /nfs/dbraw/zinc/48/91/84/1421489184.db2.gz RDLARHIHWSMDKI-XLIONFOSSA-N 2 0 347.547 3.188 10 0 EGAERP CN(C(=O)CC[C@H]1CCC[N@@H+]1C)C1C[NH+](CC2CCC(C)(C)CC2)C1 ZINC001733307051 1429490973 /nfs/dbraw/zinc/49/09/73/1429490973.db2.gz LNYOQABFERUWAA-GOSISDBHSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CC1=CCCCC1 ZINC001717745641 1421608941 /nfs/dbraw/zinc/60/89/41/1421608941.db2.gz ZPJZFVRTCKZEDQ-ROUUACIJSA-N 2 0 335.536 3.188 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@@H]12 ZINC001717843708 1421658576 /nfs/dbraw/zinc/65/85/76/1421658576.db2.gz YLZQCKQUMIOHEL-FXLSLFEWSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@H]1[C@@H](NC(=O)CCC[NH+]2CCCC2)CCC[N@@H+]1CCC(C)(C)C ZINC001717861989 1421674614 /nfs/dbraw/zinc/67/46/14/1421674614.db2.gz DBQRNCUFCCSKDD-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)[C@@H]1CCCC[NH+]1C)C(C)C ZINC001717948843 1421716007 /nfs/dbraw/zinc/71/60/07/1421716007.db2.gz CJFJOEJAJNFWQZ-FQEVSTJZSA-N 2 0 345.531 3.148 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CC2(CCC2)C1)C(=O)C1(C[NH+](C)C)CC1 ZINC001717950827 1421720309 /nfs/dbraw/zinc/72/03/09/1421720309.db2.gz WLJDEILVIISUJN-UHFFFAOYSA-N 2 0 349.563 3.077 10 0 EGAERP CCC(CC)C[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001718033320 1421785377 /nfs/dbraw/zinc/78/53/77/1421785377.db2.gz GGYWVNZJDNDFTM-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CCN(C(=O)c2cccc(C[NH+](C)C)c2)[C@@H](C)C1 ZINC001733329306 1429514655 /nfs/dbraw/zinc/51/46/55/1429514655.db2.gz AWNLKJIUIYZTIR-PXNSSMCTSA-N 2 0 343.515 3.297 10 0 EGAERP CC1CC[NH+](CC(=O)NC2(C)CC[NH+](CC3CC(C)(C)C3)CC2)CC1 ZINC001733361409 1429545883 /nfs/dbraw/zinc/54/58/83/1429545883.db2.gz WAJOQYMPDMWBIU-UHFFFAOYSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](C)C[NH+]1CCC(C)(NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001733362999 1429548210 /nfs/dbraw/zinc/54/82/10/1429548210.db2.gz ZXTIWPZQLVPAJK-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](CC(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1)C1CCC1 ZINC001733379823 1429563819 /nfs/dbraw/zinc/56/38/19/1429563819.db2.gz MEGWPFXRBQFXMH-GOSISDBHSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)C[NH2+]C[C@@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C1CCCC1 ZINC001733387208 1429575170 /nfs/dbraw/zinc/57/51/70/1429575170.db2.gz MNSYKWIZIMEOGE-RTBURBONSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@](C)(CNC(=O)[C@H]2CC[NH+](C)[C@@H]2CC)C1 ZINC001733459304 1429681974 /nfs/dbraw/zinc/68/19/74/1429681974.db2.gz MFZCVETTYKRFNC-NSHGMRRFSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH+](C)C/C=C\c1ccccc1 ZINC001722915813 1424251820 /nfs/dbraw/zinc/25/18/20/1424251820.db2.gz IENPCDQGLIAQLK-IUQDWYLOSA-N 2 0 343.515 3.011 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+][C@@H](C)c1cccc(F)c1 ZINC001723024059 1424289342 /nfs/dbraw/zinc/28/93/42/1424289342.db2.gz XHOAAPVLPGCWHV-LPHOPBHVSA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+][C@H](C)c1cccc(F)c1 ZINC001723024061 1424289675 /nfs/dbraw/zinc/28/96/75/1424289675.db2.gz XHOAAPVLPGCWHV-VQIMIIECSA-N 2 0 349.494 3.198 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]([C@@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001723606964 1424486065 /nfs/dbraw/zinc/48/60/65/1424486065.db2.gz JABAYYPEQVDDND-ZBWOGFRMSA-N 2 0 349.563 3.386 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001723873413 1424594147 /nfs/dbraw/zinc/59/41/47/1424594147.db2.gz HUMGRCGWHIYQQW-LPHOPBHVSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@H]1C[C@H]([NH2+]Cc2cccc(F)c2)CCN1C(=O)CCCC[NH+](C)C ZINC001723873414 1424594205 /nfs/dbraw/zinc/59/42/05/1424594205.db2.gz HUMGRCGWHIYQQW-QFBILLFUSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@H+](CC(=O)NC1(C)CC[NH+](CCC2=CCCCC2)CC1)C1CCC1 ZINC001724003999 1424623680 /nfs/dbraw/zinc/62/36/80/1424623680.db2.gz DPJGEQDDHWLVLJ-UHFFFAOYSA-N 2 0 347.547 3.332 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C1CCCC1 ZINC001724095931 1424658309 /nfs/dbraw/zinc/65/83/09/1424658309.db2.gz PYVCCCCVZGCMJE-FQEVSTJZSA-N 2 0 345.531 3.020 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001733540228 1429746294 /nfs/dbraw/zinc/74/62/94/1429746294.db2.gz QDHCJQLHDJVNBL-RBUKOAKNSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724173238 1424708049 /nfs/dbraw/zinc/70/80/49/1424708049.db2.gz KDKPHQPXVWCHDI-SQUSKLHYSA-N 2 0 337.552 3.291 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@](C)(NC(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001724173237 1424708070 /nfs/dbraw/zinc/70/80/70/1424708070.db2.gz KDKPHQPXVWCHDI-QJRAZLAKSA-N 2 0 337.552 3.291 10 0 EGAERP CCCCC[NH+]1CCC(C)(CNC(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001724307328 1424790171 /nfs/dbraw/zinc/79/01/71/1424790171.db2.gz ZHMNNZPCUPKTFM-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@]1(C)CCC[NH+](CCC2=CCCCC2)C1 ZINC001724340208 1424832320 /nfs/dbraw/zinc/83/23/20/1424832320.db2.gz HNNYWAQNHRKZBD-NRFANRHFSA-N 2 0 349.563 3.437 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@]2(C)CCC[NH+](CC3=CCCCC3)C2)C1 ZINC001724341902 1424837015 /nfs/dbraw/zinc/83/70/15/1424837015.db2.gz APMIHVHWQXFPKQ-CTNGQTDRSA-N 2 0 347.547 3.047 10 0 EGAERP CC[NH2+][C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)c1ccccc1CC ZINC001724511821 1424888481 /nfs/dbraw/zinc/88/84/81/1424888481.db2.gz MCSYIGFYKHJLSR-UXHICEINSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@H]([NH2+]CCC1CCCC1)[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001724541135 1424902317 /nfs/dbraw/zinc/90/23/17/1424902317.db2.gz VBBDYUGRALWENJ-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](CNC(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001733567028 1429769049 /nfs/dbraw/zinc/76/90/49/1429769049.db2.gz ZGKZZRGUMDFJEX-QWFCFKBJSA-N 2 0 349.563 3.316 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H]2[C@H]1CC[N@@H+]2CCC1CCCCCC1 ZINC001724657138 1425024750 /nfs/dbraw/zinc/02/47/50/1425024750.db2.gz QJLIEYOMBPUFIT-WOJBJXKFSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC[C@H]2CC[C@H](C[NH2+]CCC3CCCC3)CC2)C1 ZINC001733568693 1429771382 /nfs/dbraw/zinc/77/13/82/1429771382.db2.gz LRCJWJIDMAVVJW-VAMGGRTRSA-N 2 0 349.563 3.031 10 0 EGAERP CCCC[NH2+]CC[C@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C1 ZINC001724705168 1425062708 /nfs/dbraw/zinc/06/27/08/1425062708.db2.gz JFWXOXPXWUDJKI-HNNXBMFYSA-N 2 0 337.533 3.052 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@@H]2CCC[N@@H+]2C)cc1 ZINC001724741271 1425106123 /nfs/dbraw/zinc/10/61/23/1425106123.db2.gz IOBRJUOIYACXGF-ZARSWLQMSA-N 2 0 343.515 3.404 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC1 ZINC001724752118 1425122423 /nfs/dbraw/zinc/12/24/23/1425122423.db2.gz UXMWCHLWLGKAQU-IYARVYRRSA-N 2 0 337.552 3.173 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCC[C@@H]2CCC[NH+]21 ZINC001724858074 1425234954 /nfs/dbraw/zinc/23/49/54/1425234954.db2.gz UGKDHYWOTIOHIL-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC[NH2+]C1(CC)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001724886887 1425270716 /nfs/dbraw/zinc/27/07/16/1425270716.db2.gz OEOLDHKAQPUGEA-SFHVURJKSA-N 2 0 335.536 3.164 10 0 EGAERP CCC1([NH2+]CC2CCCCCC2)CCN(C(=O)CC[NH+](C)C)CC1 ZINC001724887466 1425272658 /nfs/dbraw/zinc/27/26/58/1425272658.db2.gz UYXYDMOSEGSQQC-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[NH2+]C1(C)CCN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001724959291 1425347346 /nfs/dbraw/zinc/34/73/46/1425347346.db2.gz JNEMJNDYQMGFJT-SFHVURJKSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001724979009 1425380447 /nfs/dbraw/zinc/38/04/47/1425380447.db2.gz JRDPPIVTCDPVOX-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001725042401 1425469482 /nfs/dbraw/zinc/46/94/82/1425469482.db2.gz OTOSKAVPJSEFSG-GOSISDBHSA-N 2 0 335.536 3.140 10 0 EGAERP C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)[C@H](C)[NH2+]C/C=C\c1ccccc1 ZINC001725108531 1425562092 /nfs/dbraw/zinc/56/20/92/1425562092.db2.gz MPDMGDPZDSNNQA-DDABTOOBSA-N 2 0 345.531 3.161 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1ccccc1C)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001725231465 1425805766 /nfs/dbraw/zinc/80/57/66/1425805766.db2.gz ADAYLXWMLQBBNO-WOJBJXKFSA-N 2 0 345.531 3.244 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)C12CC[NH+](CC1)C2 ZINC001725232783 1425811039 /nfs/dbraw/zinc/81/10/39/1425811039.db2.gz CIWZWASAXFXJJD-IBGZPJMESA-N 2 0 349.563 3.317 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]2CCCCC[NH+]2CCC2CCCC2)C1 ZINC001725237878 1425830809 /nfs/dbraw/zinc/83/08/09/1425830809.db2.gz ACTMQZZYLDKJQY-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C/CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCC[N@@H+]2C(C)C)C1 ZINC001725250990 1425871863 /nfs/dbraw/zinc/87/18/63/1425871863.db2.gz YJFJGUNRGDPQKW-SUVIQUNHSA-N 2 0 335.536 3.042 10 0 EGAERP CCC/C=C/CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001725282232 1425917670 /nfs/dbraw/zinc/91/76/70/1425917670.db2.gz BXBIUCDMMSJQDT-HKVOBHHDSA-N 2 0 349.563 3.432 10 0 EGAERP CCCCCC[N@@H+]1C[C@H](NC(=O)[C@@H]2CCCC[NH+]2CC)C(C)(C)C1 ZINC001725296308 1425944763 /nfs/dbraw/zinc/94/47/63/1425944763.db2.gz HAPQOXXMEDBSCX-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCC2CCCC2)C1 ZINC001725363355 1426013378 /nfs/dbraw/zinc/01/33/78/1426013378.db2.gz FZESJEYUHBHFJR-VAMGGRTRSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H](C[NH2+]CC2CCCCC2)C1)[NH+]1CCCC1 ZINC001725367813 1426017899 /nfs/dbraw/zinc/01/78/99/1426017899.db2.gz ANMJFSDEWBXZJO-UFYCRDLUSA-N 2 0 349.563 3.172 10 0 EGAERP CC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001725420759 1426069459 /nfs/dbraw/zinc/06/94/59/1426069459.db2.gz PFMGHVSRMXNDGH-PSCPARJHSA-N 2 0 347.547 3.282 10 0 EGAERP C[C@@H](CN(C)C(=O)C1(C[NH+](C)C)CCCCC1)[NH2+]CC1=CCCCC1 ZINC001725502445 1426183124 /nfs/dbraw/zinc/18/31/24/1426183124.db2.gz VPESCWICHHEVMF-SFHVURJKSA-N 2 0 349.563 3.435 10 0 EGAERP C[C@@H]([NH2+][C@@H](C)CN(C)C(=O)CC[NH+](C)C)c1ccc2ccccc2c1 ZINC001725504856 1426186619 /nfs/dbraw/zinc/18/66/19/1426186619.db2.gz KCOQDMPFYRGOCS-DLBZAZTESA-N 2 0 341.499 3.289 10 0 EGAERP CCC(CC)C[N@@H+]1CC[C@@]2(NC(=O)CCC[NH+]3CCCC3)CCC[C@H]12 ZINC001725616630 1426279236 /nfs/dbraw/zinc/27/92/36/1426279236.db2.gz BZELYBLKARTVKP-FPOVZHCZSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C(C)C ZINC001725733686 1426407116 /nfs/dbraw/zinc/40/71/16/1426407116.db2.gz SLLZCXVIINGSHJ-OALUTQOASA-N 2 0 337.552 3.218 10 0 EGAERP CCC(CC)C[NH2+]C1CC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001725788808 1426475145 /nfs/dbraw/zinc/47/51/45/1426475145.db2.gz AZVRAMCATRQRIN-ACBHZAAOSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCC[N@H+]1CC=C(CNC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001725825500 1426501606 /nfs/dbraw/zinc/50/16/06/1426501606.db2.gz DXRFKVFVSBAHLA-SFHVURJKSA-N 2 0 335.536 3.189 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)C1)Cc1ccc(C(C)C)cc1 ZINC001731322479 1427262603 /nfs/dbraw/zinc/26/26/03/1427262603.db2.gz QLABNAZESRNLGC-HXUWFJFHSA-N 2 0 345.531 3.090 10 0 EGAERP CCCC[NH+]1CCC(N(CCC)C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1 ZINC001731386729 1427333633 /nfs/dbraw/zinc/33/36/33/1427333633.db2.gz YYZWFVNWDVIQDR-SFHVURJKSA-N 2 0 337.552 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1 ZINC001731391597 1427343823 /nfs/dbraw/zinc/34/38/23/1427343823.db2.gz HMQSNAVDHQPFHE-VQTJNVASSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001731425531 1427406110 /nfs/dbraw/zinc/40/61/10/1427406110.db2.gz NXCDALCUIGOCPA-WOJBJXKFSA-N 2 0 349.563 3.243 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001731434788 1427415832 /nfs/dbraw/zinc/41/58/32/1427415832.db2.gz BHDUVIILAAMHTI-HMTUNPETSA-N 2 0 335.536 3.186 10 0 EGAERP C[NH+](C)CCCC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1 ZINC001731463349 1427440191 /nfs/dbraw/zinc/44/01/91/1427440191.db2.gz QKDQRLPBOZOYIH-IHWFROFDSA-N 2 0 349.563 3.410 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)CC(C)(C)C)C1)c1ccccc1F ZINC001731486201 1427461410 /nfs/dbraw/zinc/46/14/10/1427461410.db2.gz KJLCFBLGQWGHQZ-OAGGEKHMSA-N 2 0 349.494 3.101 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@H]1C[C@@H]([NH2+]CCC2CCCCCC2)C1 ZINC001731492524 1427466851 /nfs/dbraw/zinc/46/68/51/1427466851.db2.gz CRKLMQWUTZOKLV-BGYRXZFFSA-N 2 0 349.563 3.460 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001731505254 1427489800 /nfs/dbraw/zinc/48/98/00/1427489800.db2.gz TUAWOQCGWZSIJS-CQQBRXBZSA-N 2 0 335.536 3.044 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001731521835 1427509941 /nfs/dbraw/zinc/50/99/41/1427509941.db2.gz MJSGDWKKUHQEAZ-SFHVURJKSA-N 2 0 345.531 3.033 10 0 EGAERP C[C@@H](CNC(=O)CCC[NH+]1CCCCC1)[NH2+][C@@H]1CCc2ccccc21 ZINC001731641400 1427700773 /nfs/dbraw/zinc/70/07/73/1427700773.db2.gz STSPYDYNSPORHC-FXAWDEMLSA-N 2 0 343.515 3.034 10 0 EGAERP CC[C@H](C(=O)N1CC[C@@H](C[NH2+]CC2CC3(CCC3)C2)C1)[NH+](CC)CC ZINC001731670400 1427719778 /nfs/dbraw/zinc/71/97/78/1427719778.db2.gz BDOIJXJSYUPCQZ-PKOBYXMFSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](C(=O)NCC[N@H+](C)CC1CCC(C)CC1)[NH+]1CCCCCC1 ZINC001731786580 1427920808 /nfs/dbraw/zinc/92/08/08/1427920808.db2.gz YWQBQNLTAPCKDZ-XBMUEBEBSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC001731804211 1427972623 /nfs/dbraw/zinc/97/26/23/1427972623.db2.gz AMMHRSYDTTYKDC-LMMKCTJWSA-N 2 0 340.471 3.103 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccccc1C[N@H+](C)CCC(C)(C)C ZINC001733680719 1429886211 /nfs/dbraw/zinc/88/62/11/1429886211.db2.gz XMZNXRLPXBLEST-UHFFFAOYSA-N 2 0 333.520 3.123 10 0 EGAERP CCC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2CC(C)C)cc1 ZINC001733681567 1429891714 /nfs/dbraw/zinc/89/17/14/1429891714.db2.gz FOQRYUGJOCVUHI-FXAWDEMLSA-N 2 0 345.531 3.484 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NCC1([NH2+]CCC2CCCCC2)CCC1 ZINC001733716519 1429935032 /nfs/dbraw/zinc/93/50/32/1429935032.db2.gz VAWNHSASCISMEZ-IBGZPJMESA-N 2 0 349.563 3.460 10 0 EGAERP O=C(NCC1([NH2+]CCC2=CCCCC2)CCC1)C12CCC[NH+]1CCC2 ZINC001733718638 1429938564 /nfs/dbraw/zinc/93/85/64/1429938564.db2.gz DWYFDPYYVLXANN-UHFFFAOYSA-N 2 0 345.531 3.134 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCN(C)C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)cc1 ZINC001733780474 1430041912 /nfs/dbraw/zinc/04/19/12/1430041912.db2.gz FNRWXJLIUIQDLK-OALUTQOASA-N 2 0 345.531 3.148 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CCC2CC2)CC1 ZINC001733803528 1430070968 /nfs/dbraw/zinc/07/09/68/1430070968.db2.gz AFKIPGKHCDNFEC-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP CCC1([NH2+]CC2CCCC2)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001733803813 1430072479 /nfs/dbraw/zinc/07/24/79/1430072479.db2.gz MRUPZNCQEAHPJO-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+]1CC[C@@H](NC(=O)CC[NH+](C)C)C(C)(C)C1 ZINC001733877433 1437704893 /nfs/dbraw/zinc/70/48/93/1437704893.db2.gz YYZAKWBGLVKVHN-CRAIPNDOSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCC2CCCC2)CC[N@@H+]1C ZINC001733932171 1437745409 /nfs/dbraw/zinc/74/54/09/1437745409.db2.gz FBFAJEDCXGDDLV-YSIASYRMSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@@H]1CCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001733937125 1437751710 /nfs/dbraw/zinc/75/17/10/1437751710.db2.gz NOYOXFVXYGUVKW-FQEVSTJZSA-N 2 0 343.515 3.251 10 0 EGAERP CC(C)(C)CCC[NH2+]CC1CC(NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001733950069 1437761882 /nfs/dbraw/zinc/76/18/82/1437761882.db2.gz FRFGHASHCGQRKY-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C1CCC(N(C)C(=O)CC[NH+]2CCCCC2)CC1 ZINC001734012431 1437803696 /nfs/dbraw/zinc/80/36/96/1437803696.db2.gz KGICNWTXVUOIGM-UHFFFAOYSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCC1 ZINC001734044657 1437833148 /nfs/dbraw/zinc/83/31/48/1437833148.db2.gz PLCARYAGXMCZMW-IEBWSBKVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)Cc1cccc(F)c1 ZINC001734057435 1437849171 /nfs/dbraw/zinc/84/91/71/1437849171.db2.gz GPHLZMLTUMRZEM-APWZRJJASA-N 2 0 349.494 3.025 10 0 EGAERP CC(C)CCC[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734058685 1437850612 /nfs/dbraw/zinc/85/06/12/1437850612.db2.gz LHRXDDZPSKOGHM-ZWKOTPCHSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1cccc(C[N@@H+](C)[C@H](C)CNC(=O)[C@H](C)[NH+]2CCCCCC2)c1 ZINC001734060477 1437854012 /nfs/dbraw/zinc/85/40/12/1437854012.db2.gz UUWDTNSGEJJRHT-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)CCC[NH2+]CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CCCCC1 ZINC001734088870 1437873820 /nfs/dbraw/zinc/87/38/20/1437873820.db2.gz SBBWSENRJBTJBS-LJQANCHMSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)(C(=O)N[C@H]1C[C@H](C[NH2+]CCCC2CCCC2)C1)[NH+]1CCCC1 ZINC001734213828 1437945603 /nfs/dbraw/zinc/94/56/03/1437945603.db2.gz NIVUZLYRSLGFRE-WGSAOQKQSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@@H](CCC[NH2+]CC1CC(C)(C)C1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001734250637 1437965026 /nfs/dbraw/zinc/96/50/26/1437965026.db2.gz MJNPNHYYMPERRW-BQFCYCMXSA-N 2 0 337.552 3.027 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@@H](C)NC(=O)C[N@@H+]2CC[C@@H](C)C2)c(C)c1 ZINC001734253266 1437967928 /nfs/dbraw/zinc/96/79/28/1437967928.db2.gz URMKYPZWNWYNPK-IEBWSBKVSA-N 2 0 345.531 3.020 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H](C1CC1)N(C)C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001734299576 1438030708 /nfs/dbraw/zinc/03/07/08/1438030708.db2.gz CDTHKPZYPXBJHR-FUHWJXTLSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C/CC[NH2+][C@@H](C)CN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC001734334187 1438057035 /nfs/dbraw/zinc/05/70/35/1438057035.db2.gz PRWZHRGBJMMHOM-DKFQHHCZSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC[N@H+](C)C2CCCCC2)C1 ZINC001734422782 1438090398 /nfs/dbraw/zinc/09/03/98/1438090398.db2.gz YEIMHCFYQOKFIR-MSOLQXFVSA-N 2 0 335.536 3.186 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H]2C[C@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001734425564 1438091323 /nfs/dbraw/zinc/09/13/23/1438091323.db2.gz BYEQWPXZIGCYKI-FXAWDEMLSA-N 2 0 345.531 3.058 10 0 EGAERP CCCc1ccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)C[N@H+](C)C(C)C)C2)cc1 ZINC001734425570 1438091406 /nfs/dbraw/zinc/09/14/06/1438091406.db2.gz BYEQWPXZIGCYKI-YLJYHZDGSA-N 2 0 345.531 3.058 10 0 EGAERP CCc1cccc(C[NH2+][C@@H]2C[C@@H](C)N(C(=O)CCCC[NH+](C)C)C2)c1 ZINC001734426639 1438092057 /nfs/dbraw/zinc/09/20/57/1438092057.db2.gz MBNNLBOGZGQYCF-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@@H](C)c1ccccc1)C(=O)C[NH+]1CC[C@H](C)C1 ZINC001734550552 1438147695 /nfs/dbraw/zinc/14/76/95/1438147695.db2.gz IETONHXWNFRZKG-OALUTQOASA-N 2 0 345.531 3.258 10 0 EGAERP C[C@H]1C[C@@H](C(=O)N[C@H](C[NH2+]Cc2ccccc2)C(C)(C)C)CC[N@@H+]1C ZINC001734571334 1438165432 /nfs/dbraw/zinc/16/54/32/1438165432.db2.gz UGBPXGODUQRBRZ-YTQUADARSA-N 2 0 345.531 3.037 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+]C/C=C\c1ccccc1)C(C)(C)C ZINC001734575109 1438168424 /nfs/dbraw/zinc/16/84/24/1438168424.db2.gz GMMLPTWVMLQWTB-XGCMIMOYSA-N 2 0 345.531 3.161 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H](C)C1CC[NH+](CCCC(C)(C)C)CC1 ZINC001734577671 1438170495 /nfs/dbraw/zinc/17/04/95/1438170495.db2.gz KWHNZCVDCCOMAB-QGZVFWFLSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[NH+]1CCC([C@H](C)NC(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001734584658 1438175001 /nfs/dbraw/zinc/17/50/01/1438175001.db2.gz RDQUFGDIDZIYQA-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)C[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@H]2CC[NH+](C)[C@@H](C)C2)CC1 ZINC001734630664 1438193277 /nfs/dbraw/zinc/19/32/77/1438193277.db2.gz CNQWBUSGLFLCPT-BJLQDIEVSA-N 2 0 349.563 3.147 10 0 EGAERP CCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCC[C@H]([NH+](C)C)C2)c(F)c1 ZINC001734639780 1438198246 /nfs/dbraw/zinc/19/82/46/1438198246.db2.gz CVEKRDSJJNTJQD-WMZOPIPTSA-N 2 0 349.494 3.062 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001750929090 1440112295 /nfs/dbraw/zinc/11/22/95/1440112295.db2.gz IDFDHUWSBOLBIL-IBGZPJMESA-N 2 0 345.531 3.068 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@@H]1CCCCN1C(=O)[C@@H]1CC[NH+](C)[C@@H]1C ZINC001750933058 1440113806 /nfs/dbraw/zinc/11/38/06/1440113806.db2.gz MRKHJPVXQZPJKJ-NZSAHSFTSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCCC[C@H]2C[NH+](C)CCC(C)(C)C)C1 ZINC001750933128 1440114174 /nfs/dbraw/zinc/11/41/74/1440114174.db2.gz YVAXLUZCBFUOPB-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CCC[NH+](CCC)CCCC(=O)N1CCCC[C@H]([NH+]2CCCC2)C1 ZINC000107779202 283208874 /nfs/dbraw/zinc/20/88/74/283208874.db2.gz NOYKYZUJKVJRNT-IBGZPJMESA-N 2 0 337.552 3.366 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@H](C)C1 ZINC000266073753 248079101 /nfs/dbraw/zinc/07/91/01/248079101.db2.gz KXJDVPNLPQGNPC-XLIONFOSSA-N 2 0 343.515 3.085 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@H]2CCC[C@@H]([NH3+])C2)c1 ZINC000246703203 141026395 /nfs/dbraw/zinc/02/63/95/141026395.db2.gz WJKUXCBNEUAJRK-VQTJNVASSA-N 2 0 345.531 3.442 10 0 EGAERP CN1CCN([C@H]2CCCC[N@H+](Cc3cccc4ccccc43)C2)CC1 ZINC000174895878 144054214 /nfs/dbraw/zinc/05/42/14/144054214.db2.gz ULOVXOYJBYWIOU-NRFANRHFSA-N 2 0 337.511 3.442 10 0 EGAERP Cc1ccc([C@H](CN[C@@H]2CC[N@@H+](C)[C@H]3CCC[C@H]32)[NH+]2CCCC2)o1 ZINC000353494360 292255456 /nfs/dbraw/zinc/25/54/56/292255456.db2.gz BOYVXNJVCITSCN-RDGPPVDQSA-N 2 0 331.504 3.187 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@@H]1CCC[NH+](Cc2ccccc2)C1 ZINC000310071709 154138117 /nfs/dbraw/zinc/13/81/17/154138117.db2.gz ACKOZLLJAXITGS-RMVXJAJNSA-N 2 0 329.532 3.217 10 0 EGAERP O[C@H](C[N@H+]1C[C@H]2C[NH+](Cc3ccccc3)CC[C@@H]2C1)c1ccccc1 ZINC000311193317 154146802 /nfs/dbraw/zinc/14/68/02/154146802.db2.gz FHMWNJMNZPDFSR-YPAWHYETSA-N 2 0 336.479 3.174 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CCC[C@H](COC)C2)CC1 ZINC000093337710 162003477 /nfs/dbraw/zinc/00/34/77/162003477.db2.gz YVIOJPJKDVCUBM-IBGZPJMESA-N 2 0 345.531 3.077 10 0 EGAERP CC[N@@H+]1CC[C@H](C[NH2+][C@@H]2CCC[C@H]3C[NH+](Cc4ccccc4)C[C@H]32)C1 ZINC000248393262 163000017 /nfs/dbraw/zinc/00/00/17/163000017.db2.gz DTPBXAXZZQUTIR-CIAFKFPVSA-N 3 0 341.543 3.219 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(C[NH2+][C@@H](C)[C@H]2CCCO2)c1)[C@H]1CCCO1 ZINC000248594853 163019139 /nfs/dbraw/zinc/01/91/39/163019139.db2.gz MEADYXXQKCWFHX-WOUAJJJCSA-N 2 0 332.488 3.001 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248990831 163049460 /nfs/dbraw/zinc/04/94/60/163049460.db2.gz NHVHKZNIZXBPMF-MXEMCNAFSA-N 2 0 327.516 3.113 10 0 EGAERP O[C@@H]1c2ccccc2C[C@@H]1[NH2+][C@@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000249033749 163051477 /nfs/dbraw/zinc/05/14/77/163051477.db2.gz RTRZOXDOWSLEOI-PTLNGURQSA-N 2 0 348.490 3.430 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccncc1OCCC[NH+](C)C)c1cccnc1 ZINC000343974281 164075367 /nfs/dbraw/zinc/07/53/67/164075367.db2.gz FXSUKYYTVRJMKF-HXUWFJFHSA-N 2 0 342.487 3.294 10 0 EGAERP CCO[C@H]1C[C@@H]([N@H+](C)Cc2cn(-c3cc[nH+]cc3)nc2C)C12CCC2 ZINC000346164241 164354649 /nfs/dbraw/zinc/35/46/49/164354649.db2.gz HKFYKAHHAPNDMG-MOPGFXCFSA-N 2 0 340.471 3.355 10 0 EGAERP CC[NH+](CC)C[C@H]1CC[N@H+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351663794 165122701 /nfs/dbraw/zinc/12/27/01/165122701.db2.gz GWQGCSHRVSLTJM-QGZVFWFLSA-N 2 0 326.488 3.251 10 0 EGAERP CC[N@H+](CCC1CC[NH+](Cc2nc(C)ccc2O)CC1)CC1CC1 ZINC000355899932 166341390 /nfs/dbraw/zinc/34/13/90/166341390.db2.gz JVYGOLAATRUFPC-UHFFFAOYSA-N 2 0 331.504 3.430 10 0 EGAERP CC(C)[C@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@@H](O)C1)c1cccnc1 ZINC000359226877 167101650 /nfs/dbraw/zinc/10/16/50/167101650.db2.gz GQZWEGLPIPMRCR-RTWAWAEBSA-N 2 0 339.483 3.135 10 0 EGAERP CCCN(CC[NH+](CC)CC)Cc1cn(-c2cc[nH+]cc2)nc1C ZINC000360205107 167270493 /nfs/dbraw/zinc/27/04/93/167270493.db2.gz RAYVKZURPDIIND-UHFFFAOYSA-N 2 0 329.492 3.130 10 0 EGAERP C[C@@H]1CN(Cc2ccccc2)CC[C@@H]1[NH2+][C@H]1c2ccccc2C[C@H]1O ZINC000360329944 167304021 /nfs/dbraw/zinc/30/40/21/167304021.db2.gz QDUWMXZETSJXSZ-ZJMJOCHXSA-N 2 0 336.479 3.145 10 0 EGAERP Cc1cccc2c1[nH+]cc(C)c2N1CCC(OCC[NH+](C)C)CC1 ZINC000360665230 167382351 /nfs/dbraw/zinc/38/23/51/167382351.db2.gz KAYLRCGLFUSUJG-UHFFFAOYSA-N 2 0 327.472 3.399 10 0 EGAERP COc1ccc(COCCC[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1 ZINC000367612667 168249429 /nfs/dbraw/zinc/24/94/29/168249429.db2.gz DSVHXYSRHVUDIX-ZCNNSNEGSA-N 2 0 332.488 3.064 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]Cc2ccc(C[NH+]3CCCC3)cc2)[C@@H]2CCC[C@@H]21 ZINC000367619846 168250638 /nfs/dbraw/zinc/25/06/38/168250638.db2.gz XFFRZKNDZBGXST-ACRUOGEOSA-N 3 0 327.516 3.245 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CCN(C(=O)CC2CC[NH+](C)CC2)CC1 ZINC000368313774 287264632 /nfs/dbraw/zinc/26/46/32/287264632.db2.gz APEZKKZZRWCNIU-GOSISDBHSA-N 2 0 349.563 3.221 10 0 EGAERP O=C(c1ccc2c[nH+]cn2c1)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000284156706 275778472 /nfs/dbraw/zinc/77/84/72/275778472.db2.gz XPNKOJSYVQLCLE-KRWDZBQOSA-N 2 0 340.471 3.063 10 0 EGAERP C[C@@H]1CCC[C@H]([NH+]2CCC([NH2+]C[C@@H](O)Cc3ccccc3)CC2)C1 ZINC000286969869 276064700 /nfs/dbraw/zinc/06/47/00/276064700.db2.gz IIGNRTHCXVQRBX-QMMLZNLJSA-N 2 0 330.516 3.223 10 0 EGAERP CC[NH+](CC)CCO[C@@H]1CC[N@H+](Cc2cc(C)c(OC)c(C)c2)C1 ZINC000354097141 276100322 /nfs/dbraw/zinc/10/03/22/276100322.db2.gz OCIIEFXUDXTFNS-LJQANCHMSA-N 2 0 334.504 3.245 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](C)[C@H](OC)C2)CC1 ZINC000343449298 276262714 /nfs/dbraw/zinc/26/27/14/276262714.db2.gz WARBPICCHZBRAC-WIYYLYMNSA-N 2 0 345.531 3.075 10 0 EGAERP C[C@@H]([NH2+]CC(=O)Nc1cccc(C[NH+]2CCSCC2)c1)C(C)(C)C ZINC000114473495 307478746 /nfs/dbraw/zinc/47/87/46/307478746.db2.gz UZWPFRWOYWWGFO-OAHLLOKOSA-N 2 0 349.544 3.198 10 0 EGAERP C[C@@H]1Cc2ccccc2[C@@H]1[NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1 ZINC000124672849 307550385 /nfs/dbraw/zinc/55/03/85/307550385.db2.gz VXKLQJUBXHOUQO-WIYYLYMNSA-N 2 0 341.543 3.460 10 0 EGAERP COc1cc([C@@H](C)[NH2+]Cc2ccc3c[nH+]cn3c2)cc(OC)c1OC ZINC000414194866 309066240 /nfs/dbraw/zinc/06/62/40/309066240.db2.gz WBTOABVMLUPCLE-CYBMUJFWSA-N 2 0 341.411 3.211 10 0 EGAERP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@H]2O)CC1)Cc1ccccc1 ZINC000248586004 308006330 /nfs/dbraw/zinc/00/63/30/308006330.db2.gz QBIGUAHQWJDYHH-DZFGPLHGSA-N 2 0 330.516 3.223 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@@H](C)C1 ZINC000249073206 308018272 /nfs/dbraw/zinc/01/82/72/308018272.db2.gz KCPVECSVZGCZLY-HNAYVOBHSA-N 2 0 335.923 3.018 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CS[C@H](C)C2)CC1 ZINC000414498016 309084607 /nfs/dbraw/zinc/08/46/07/309084607.db2.gz LXJSAZOCVBJOLG-SJLPKXTDSA-N 2 0 333.545 3.202 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC2(CCOCC2)[C@@H]1C(C)C ZINC000414531819 309086845 /nfs/dbraw/zinc/08/68/45/309086845.db2.gz CWGOXFFMJNQSQM-IBGZPJMESA-N 2 0 340.471 3.213 10 0 EGAERP CCOC(=O)[C@]1(Cc2ccccc2)CCC[N@@H+]1C[C@H]1CC[NH2+][C@@H](C)C1 ZINC000414762986 309099273 /nfs/dbraw/zinc/09/92/73/309099273.db2.gz WVXTXFTWSWODQM-HFSMHLIXSA-N 2 0 344.499 3.015 10 0 EGAERP CC(C)[NH+]1CCC([NH2+][C@@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400502820 308907538 /nfs/dbraw/zinc/90/75/38/308907538.db2.gz HEFKQPQLXIWYRA-HOTGVXAUSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@H]1C[NH2+]CC[C@H]1[NH2+]Cc1cccc(OCc2ccc(F)cc2)c1 ZINC000414932570 309109946 /nfs/dbraw/zinc/10/99/46/309109946.db2.gz CUQBMWRCASTJTG-MGPUTAFESA-N 2 0 328.431 3.492 10 0 EGAERP CCOc1ccc(C[N@@H+]2CCCC[C@H]2[C@H]2CC[NH2+]C2)cc1OCC ZINC000415057353 309117221 /nfs/dbraw/zinc/11/72/21/309117221.db2.gz TZUNXFDYMHHQMA-ROUUACIJSA-N 2 0 332.488 3.448 10 0 EGAERP Fc1cccc(F)c1N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCC[NH2+]2)C1 ZINC000415085350 309119407 /nfs/dbraw/zinc/11/94/07/309119407.db2.gz PZEKCNQIMFDSCK-IHETXDGRSA-N 2 0 335.442 3.054 10 0 EGAERP FC(F)(F)c1cccc(CN2CCC([NH2+]C3CC[NH2+]CC3)CC2)c1 ZINC000415106780 309120673 /nfs/dbraw/zinc/12/06/73/309120673.db2.gz NHCUVBBZPVDJKY-UHFFFAOYSA-N 2 0 341.421 3.011 10 0 EGAERP [NH3+][C@@H]1CCO[C@@H](C2CC[NH+](Cc3ccccc3OCC3CC3)CC2)C1 ZINC000415119530 309121646 /nfs/dbraw/zinc/12/16/46/309121646.db2.gz FPKJAJBNVCECCZ-TZIWHRDSSA-N 2 0 344.499 3.194 10 0 EGAERP CC(C)C[C@@H](C[N@@H+]1CCC[C@@H](n2cc(C[NH3+])nn2)C1)c1ccccc1 ZINC000415135498 309123098 /nfs/dbraw/zinc/12/30/98/309123098.db2.gz WSFJTTMBGPONTI-AZUAARDMSA-N 2 0 341.503 3.204 10 0 EGAERP CC[NH2+]Cc1cccc(NC(=O)NCC[N@H+](C)C2CCCCC2)c1 ZINC000415926102 309149122 /nfs/dbraw/zinc/14/91/22/309149122.db2.gz YRBVCSNPLXAEKT-UHFFFAOYSA-N 2 0 332.492 3.182 10 0 EGAERP CC[NH+](CC)[C@H](CNC(=O)Nc1ccc2c(c1)C[NH2+]C2)CC(C)C ZINC000416015704 309154750 /nfs/dbraw/zinc/15/47/50/309154750.db2.gz UFJMZHOQVXQMDO-SFHVURJKSA-N 2 0 332.492 3.168 10 0 EGAERP C[C@@H]1CCC[C@H](C)[N@H+]1CCNC(=O)N[C@@H](CCC[NH3+])c1ccccc1 ZINC000417528161 309209431 /nfs/dbraw/zinc/20/94/31/309209431.db2.gz FBBSHAWOKJBNFQ-SCTDSRPQSA-N 2 0 346.519 3.029 10 0 EGAERP CCCNC(=O)CCC[NH2+]Cc1ccccc1C[NH+]1CCCCC1 ZINC000419132386 309260693 /nfs/dbraw/zinc/26/06/93/309260693.db2.gz HNVKQOJTWPMORO-UHFFFAOYSA-N 2 0 331.504 3.069 10 0 EGAERP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@H]3[C@H]3CC[NH2+]C3)ccc2o1 ZINC000420394366 309286043 /nfs/dbraw/zinc/28/60/43/309286043.db2.gz KIOPKRRSMICATN-RDJZCZTQSA-N 2 0 342.439 3.183 10 0 EGAERP C[NH+](C)C1CCC([NH2+][C@@H](c2ccc(F)cc2)c2cnccn2)CC1 ZINC000421887965 309345172 /nfs/dbraw/zinc/34/51/72/309345172.db2.gz WGAQSAQNBZTTNW-TVPLGVNVSA-N 2 0 328.435 3.168 10 0 EGAERP COc1ccc([C@H](NC[C@@H]2CCC[N@@H+](C(C)C)C2)[C@@H]2CCC[NH2+]2)cc1 ZINC000422740102 309366062 /nfs/dbraw/zinc/36/60/62/309366062.db2.gz MGUQRRXQNLGWCQ-YYWHXJBOSA-N 2 0 345.531 3.198 10 0 EGAERP COc1cccc(-c2ccc(C[NH2+][C@@H]3CCOC[C@H]3[C@H](C)[NH3+])cc2)c1 ZINC000422794391 309368737 /nfs/dbraw/zinc/36/87/37/309368737.db2.gz UGAOULMTBKFFNZ-ONGXBYRLSA-N 2 0 340.467 3.204 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]CCc1ccc(-c2csc(C)n2)s1 ZINC000422796755 309368937 /nfs/dbraw/zinc/36/89/37/309368937.db2.gz KLIGBDQYHFRSMJ-ZDUSSCGKSA-N 2 0 339.530 3.066 10 0 EGAERP CCO[C@H](CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422804270 309369208 /nfs/dbraw/zinc/36/92/08/309369208.db2.gz FBIOCBKKLPLPOY-GGPKGHCWSA-N 2 0 332.488 3.283 10 0 EGAERP CCO[C@H](CC[NH2+][C@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21)C(C)C ZINC000422804272 309369494 /nfs/dbraw/zinc/36/94/94/309369494.db2.gz FBIOCBKKLPLPOY-NSHGMRRFSA-N 2 0 332.488 3.283 10 0 EGAERP CC[C@@H](C[NH2+][C@H](C)c1ccc(C[NH3+])nc1C)Oc1ccccc1F ZINC000422814991 309369974 /nfs/dbraw/zinc/36/99/74/309369974.db2.gz ALNVIBXXFSTHSU-CJNGLKHVSA-N 2 0 331.435 3.496 10 0 EGAERP COc1ccc(C)cc1C1(C[NH2+]C2CCC(C[NH3+])CC2)CCOCC1 ZINC000422897718 309375012 /nfs/dbraw/zinc/37/50/12/309375012.db2.gz KGVRUJWLCHTGAH-UHFFFAOYSA-N 2 0 346.515 3.159 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@H](C)[NH2+][C@H](C)[C@H]1Oc2ccccc2[C@@H]1C ZINC000422923225 309376192 /nfs/dbraw/zinc/37/61/92/309376192.db2.gz VIYSGEAQWJRPPS-UYVPSMGWSA-N 2 0 325.456 3.453 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@H](c1ccc(C)cc1)c1ccc(OC)cc1 ZINC000422937829 309377086 /nfs/dbraw/zinc/37/70/86/309377086.db2.gz OZTAROYVXYSVKD-TZIWHRDSSA-N 2 0 342.483 3.437 10 0 EGAERP COC[C@H](CCC[NH3+])[NH2+]C1(c2ccc(Br)cc2)CCC1 ZINC000422941482 309377395 /nfs/dbraw/zinc/37/73/95/309377395.db2.gz ORTVPHAGGKMGHU-HNNXBMFYSA-N 2 0 341.293 3.172 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2cccc(NC3CCC(C[NH3+])CC3)c2)C[C@H](C)O1 ZINC000422955742 309378076 /nfs/dbraw/zinc/37/80/76/309378076.db2.gz NFNYRHXAQKZONS-GIOYIUAESA-N 2 0 331.504 3.225 10 0 EGAERP Cc1ccsc1CC[NH2+][C@@H]1C[C@]2(CC[NH2+]C2)Oc2ccccc21 ZINC000423012234 309380837 /nfs/dbraw/zinc/38/08/37/309380837.db2.gz CNPVVJJNHKPPAI-APWZRJJASA-N 2 0 328.481 3.445 10 0 EGAERP CN1CC[C@@H]([NH2+]C2CCC(C[NH3+])CC2)[C@@H]1c1ccc(Cl)c(F)c1 ZINC000423009787 309380850 /nfs/dbraw/zinc/38/08/50/309380850.db2.gz DWOUTRAHNXBBQA-VQHUDLGKSA-N 2 0 339.886 3.331 10 0 EGAERP CO[C@H](c1ccccc1F)[C@H](C)[NH2+][C@@H](C)c1ccc(C[NH3+])nc1C ZINC000423022812 309381588 /nfs/dbraw/zinc/38/15/88/309381588.db2.gz FYPLVSFUELMQSJ-PJFSTRORSA-N 2 0 331.435 3.415 10 0 EGAERP Clc1cccc([C@H]2C[C@H]([NH2+][C@@H]3CCOC[C@H]3[C@@H]3CCC[NH2+]3)C2)c1 ZINC000423096998 309385692 /nfs/dbraw/zinc/38/56/92/309385692.db2.gz QFVWYJNRBSQCSG-XFUTXVRSSA-N 2 0 334.891 3.333 10 0 EGAERP C[C@@H](CCCC[NH3+])[NH2+][C@@H]1CCc2nc(-c3ccc(F)cc3F)cn2C1 ZINC000423154693 309388560 /nfs/dbraw/zinc/38/85/60/309388560.db2.gz PKAREFZNDGRVMV-DZGCQCFKSA-N 2 0 348.441 3.250 10 0 EGAERP COc1cccc([C@@H]2C[C@H]2C[NH2+][C@@H](C)c2ccc(C[NH3+])nc2C)c1 ZINC000423176256 309389110 /nfs/dbraw/zinc/38/91/10/309389110.db2.gz FYYLRSBBZQENAK-RISOHXOYSA-N 2 0 325.456 3.312 10 0 EGAERP c1ccc(C[N@H+]2[C@@H]3CC[C@H]2C[C@H]([NH2+]CC[C@H]2CCC[NH2+]C2)C3)cc1 ZINC000423257107 309392694 /nfs/dbraw/zinc/39/26/94/309392694.db2.gz HMNOJKSIHXWRLO-WLRLJWMZSA-N 3 0 327.516 3.161 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000423276931 309393837 /nfs/dbraw/zinc/39/38/37/309393837.db2.gz NPQDGOPZYPZXQW-JRSUCEMESA-N 2 0 327.516 3.289 10 0 EGAERP C[C@H]([NH3+])c1ccc(C[NH2+][C@H]2C[C@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000423292539 309394302 /nfs/dbraw/zinc/39/43/02/309394302.db2.gz NGTCUIJKWRALQO-ZRCAFCQKSA-N 3 0 337.467 3.052 10 0 EGAERP COCC1(C[NH2+][C@H](c2ccc(F)c(F)c2)C(C)C)CC[NH2+]CC1 ZINC000423412317 309399002 /nfs/dbraw/zinc/39/90/02/309399002.db2.gz WOWZHZJXUCKIFT-KRWDZBQOSA-N 2 0 326.431 3.268 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]CCc1ccc2[nH]ccc2c1 ZINC000441202684 309864502 /nfs/dbraw/zinc/86/45/02/309864502.db2.gz GQLIWKQGKLIZEA-UHFFFAOYSA-N 2 0 331.423 3.389 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](Cc2ccnn2-c2ccccc2)CC1 ZINC000448226658 310000518 /nfs/dbraw/zinc/00/05/18/310000518.db2.gz ZIHDOFFORHGZDP-UHFFFAOYSA-N 2 0 326.488 3.426 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+]CCCC(=O)NC2CC2)CC1 ZINC000449084231 310035649 /nfs/dbraw/zinc/03/56/49/310035649.db2.gz XBMIPWNQNPKHIP-UHFFFAOYSA-N 2 0 337.552 3.314 10 0 EGAERP C[C@@H](O)CC(C)(C)C[NH2+]C1CC[NH+]([C@H](C)Cc2ccccc2)CC1 ZINC000449155570 310040978 /nfs/dbraw/zinc/04/09/78/310040978.db2.gz BHRNGVQFLORQDD-QZTJIDSGSA-N 2 0 332.532 3.469 10 0 EGAERP C[C@@H]([NH2+]C1CC[NH+]([C@@H](C)Cc2ccccc2)CC1)C1CCOCC1 ZINC000449189073 310043329 /nfs/dbraw/zinc/04/33/29/310043329.db2.gz ORCUNVGAVDINRU-ZWKOTPCHSA-N 2 0 330.516 3.487 10 0 EGAERP C[C@H](CO[C@H]1CCOC1)[NH2+]C1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC000449190110 310043408 /nfs/dbraw/zinc/04/34/08/310043408.db2.gz QIQAHPMDCSHIDI-AEFFLSMTSA-N 2 0 340.552 3.449 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+][C@@H](CO)C2CCCC2)CC1 ZINC000449332433 310054162 /nfs/dbraw/zinc/05/41/62/310054162.db2.gz DGQBBKRWINQICY-UWJYYQICSA-N 2 0 330.516 3.223 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]C[C@@H]2CCCC[C@H]2O)CC1 ZINC000449601035 310074720 /nfs/dbraw/zinc/07/47/20/310074720.db2.gz LRNSVYZLKWKNOH-HFSMHLIXSA-N 2 0 330.516 3.223 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@@H]1C[C@H]1C1CC1)C1CC[NH+](C)CC1 ZINC000449740966 310083479 /nfs/dbraw/zinc/08/34/79/310083479.db2.gz IIXNFJGVWVVFPX-ICSRJNTNSA-N 2 0 327.516 3.353 10 0 EGAERP COC[C@@H]1CCC[NH+](C/C=C\C[N@H+]2CCC[C@@H](COC)CC2)CC1 ZINC000452104517 310212457 /nfs/dbraw/zinc/21/24/57/310212457.db2.gz NNRFLJBCCBIWDX-JGAFRWBPSA-N 2 0 338.536 3.040 10 0 EGAERP CC[N@@H+]1CC[C@H](CN[C@@H]2CC[NH+](Cc3ccccc3)[C@@H]3CCC[C@H]32)C1 ZINC000453059149 310255200 /nfs/dbraw/zinc/25/52/00/310255200.db2.gz IJYFXGJEYICHJJ-CIAFKFPVSA-N 2 0 341.543 3.361 10 0 EGAERP CCC[C@@H]([NH2+]Cc1ccc(N2CC[NH+](CC)CC2)nc1)C1CCC1 ZINC000453063580 310255512 /nfs/dbraw/zinc/25/55/12/310255512.db2.gz NVOWPERTJWQNCA-LJQANCHMSA-N 2 0 330.520 3.282 10 0 EGAERP CC(C)[C@@H]([NH2+]C[C@@H]1CCCN1CCCO)c1ccc(F)c(F)c1 ZINC000453272810 310268334 /nfs/dbraw/zinc/26/83/34/310268334.db2.gz VIMAWLZIDJBMAW-MAUKXSAKSA-N 2 0 326.431 3.098 10 0 EGAERP CC(C)C[C@H](C[NH2+]C[C@@H](C)CN1CC[NH+](C)CC1)c1ccccc1 ZINC000474735510 310798639 /nfs/dbraw/zinc/79/86/39/310798639.db2.gz XZIWUBUSGGZLOX-TZIWHRDSSA-N 2 0 331.548 3.289 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000476264360 310825590 /nfs/dbraw/zinc/82/55/90/310825590.db2.gz VRWABNWOBMBHNU-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(O)c(C[NH2+]CC[C@@H]2C[C@@H](C)[N@@H+](Cc3ccccc3)C2)n1 ZINC000513505801 312212221 /nfs/dbraw/zinc/21/22/21/312212221.db2.gz MICQJNFQWCOTPQ-IEBWSBKVSA-N 2 0 339.483 3.486 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N[C@@H]3CC[NH+]4CCCC[C@H]34)CC23CC3)cc1 ZINC000514602635 312233715 /nfs/dbraw/zinc/23/37/15/312233715.db2.gz IANQUPNKARATHT-PWRODBHTSA-N 2 0 339.527 3.400 10 0 EGAERP CC[N@@H+]1CC[C@@H](CN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000517029357 312359757 /nfs/dbraw/zinc/35/97/57/312359757.db2.gz JSIWNBBPKVSCGV-PMACEKPBSA-N 2 0 327.516 3.115 10 0 EGAERP O[C@H](C[NH2+]Cc1ccc(C[NH+]2CCCC2)cc1)Cc1ccc(F)cc1 ZINC000521972507 312568089 /nfs/dbraw/zinc/56/80/89/312568089.db2.gz AJZKSYFKWRDUQO-NRFANRHFSA-N 2 0 342.458 3.115 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2cc(-c3ccccc3)n(C)n2)CC1 ZINC000527857644 312959330 /nfs/dbraw/zinc/95/93/30/312959330.db2.gz DCMIJLLZFBIKTK-MRXNPFEDSA-N 2 0 326.488 3.470 10 0 EGAERP CC(C)c1ccc(CC[NH+]2CCC(CO[C@H]3CC[NH2+]C3)CC2)cc1 ZINC000530247965 313505508 /nfs/dbraw/zinc/50/55/08/313505508.db2.gz FLLJPZQQWGGDRT-NRFANRHFSA-N 2 0 330.516 3.443 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2ccc(Cl)c(F)c2)CC1 ZINC000535064487 314022413 /nfs/dbraw/zinc/02/24/13/314022413.db2.gz VINNNWPTFJGDJN-UONOGXRCSA-N 2 0 327.875 3.156 10 0 EGAERP CC(C)C[C@H]([NH2+][C@H](C)c1ccc(Cl)cc1)C(=O)NCC[NH+](C)C ZINC000537447555 314181724 /nfs/dbraw/zinc/18/17/24/314181724.db2.gz ZUDKTNSTOYRZLE-PBHICJAKSA-N 2 0 339.911 3.083 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H](c2ccc(F)c(C)c2)C2CC2)CC1 ZINC000538062768 314225400 /nfs/dbraw/zinc/22/54/00/314225400.db2.gz OHSLDSBDNQRUJD-UZLBHIALSA-N 2 0 333.495 3.201 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCO3)[C@@H]2CCC[C@@H]21 ZINC000552248424 315209368 /nfs/dbraw/zinc/20/93/68/315209368.db2.gz GWCANJYOYOVHKL-ULQDDVLXSA-N 2 0 330.472 3.155 10 0 EGAERP COc1ccc(F)c(C[NH2+]CCc2ccc(OCC[NH+](C)C)cc2)c1 ZINC000555547805 315389392 /nfs/dbraw/zinc/38/93/92/315389392.db2.gz ZFTVUPBTBVBDJM-UHFFFAOYSA-N 2 0 346.446 3.107 10 0 EGAERP C[C@H](CCC(C)(C)C)[NH2+]CC1CC[NH+](CC(=O)NC(C)(C)C)CC1 ZINC000556585398 315443770 /nfs/dbraw/zinc/44/37/70/315443770.db2.gz DPAJCRJMQLKIPA-MRXNPFEDSA-N 2 0 339.568 3.418 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCOc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@H]21 ZINC000570310202 317038336 /nfs/dbraw/zinc/03/83/36/317038336.db2.gz QRGIAFURLCUYIH-AEGPPILISA-N 2 0 344.286 3.230 10 0 EGAERP COCC[NH2+]C1CCN([C@@H](C)c2ccccc2Br)CC1 ZINC000571289439 317178730 /nfs/dbraw/zinc/17/87/30/317178730.db2.gz BKTYYXLEPMJEQJ-ZDUSSCGKSA-N 2 0 341.293 3.211 10 0 EGAERP CC(C)[NH+]1CCC(O)(C[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000579900699 325172385 /nfs/dbraw/zinc/17/23/85/325172385.db2.gz ROCDGFOKNLAQSM-UHFFFAOYSA-N 2 0 332.532 3.352 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@@H]1CCOC2(CCC2)C1 ZINC000580992504 325318073 /nfs/dbraw/zinc/31/80/73/325318073.db2.gz YYTVCOHWGNNYSN-MRXNPFEDSA-N 2 0 326.444 3.015 10 0 EGAERP CC1=CCC[C@@H](C)[C@@H]1C[NH2+]Cc1ccncc1OCCC[NH+](C)C ZINC000583463407 325526245 /nfs/dbraw/zinc/52/62/45/325526245.db2.gz AAPWKACJTZZKGK-IEBWSBKVSA-N 2 0 331.504 3.494 10 0 EGAERP c1ccc(-c2noc(CC[N@@H+]3CC[C@@H](CNc4ccccn4)C3)n2)cc1 ZINC000157743350 455226810 /nfs/dbraw/zinc/22/68/10/455226810.db2.gz IZIFEDSLMVRBRM-INIZCTEOSA-N 2 0 349.438 3.108 10 0 EGAERP CCC[NH+]1CCC([NH2+]CCc2coc(-c3ccc(F)cc3)n2)CC1 ZINC000183155781 455240126 /nfs/dbraw/zinc/24/01/26/455240126.db2.gz UNEPQTHWMDXQDQ-UHFFFAOYSA-N 2 0 331.435 3.487 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1N[C@@H]1CC[NH+](C)C(C)(C)C1 ZINC000623440427 460551422 /nfs/dbraw/zinc/55/14/22/460551422.db2.gz VOIHYSBMAQDRJQ-RLLQIKCJSA-N 2 0 329.532 3.359 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469953 460566298 /nfs/dbraw/zinc/56/62/98/460566298.db2.gz XXALOAFXSFPCOS-APWZRJJASA-N 2 0 330.520 3.069 10 0 EGAERP C[C@H](CCn1cccn1)[NH2+]C[C@H]1CCCN(C)[C@@H]1c1cccs1 ZINC000158872985 455335102 /nfs/dbraw/zinc/33/51/02/455335102.db2.gz GJYYGDIZMLOMIG-NUJGCVRESA-N 2 0 332.517 3.396 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]C[C@H]2CSCCN2Cc2ccccc2)CC1(C)C ZINC000623507064 460587700 /nfs/dbraw/zinc/58/77/00/460587700.db2.gz WFPHUQSRVJDQQZ-OALUTQOASA-N 2 0 347.572 3.066 10 0 EGAERP C[C@@H]([NH2+]CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)c1cccnc1 ZINC000075603025 453909882 /nfs/dbraw/zinc/90/98/82/453909882.db2.gz ORDIVRLXEFGLLF-UTKZUKDTSA-N 2 0 339.483 3.178 10 0 EGAERP C[N@@H+](Cc1ccccc1OCC(F)(F)F)CC1CC[NH+](C)CC1 ZINC000075738527 453923209 /nfs/dbraw/zinc/92/32/09/453923209.db2.gz LUFDKFFBXYRBOO-UHFFFAOYSA-N 2 0 330.394 3.401 10 0 EGAERP CC(C)c1ccccc1OC[C@H](O)C[NH+]1CCC(CC[NH+](C)C)CC1 ZINC000056523024 454064516 /nfs/dbraw/zinc/06/45/16/454064516.db2.gz GGJNMPUXSXENKL-LJQANCHMSA-N 2 0 348.531 3.213 10 0 EGAERP O[C@H](C[NH+]1CCC(C[NH2+]Cc2cccs2)CC1)c1ccccc1 ZINC000069490851 454111891 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CC[NH+]1CCC(CC[NH2+][C@H](C)c2ccc(-n3cncn3)cc2)CC1 ZINC000121820093 454481453 /nfs/dbraw/zinc/48/14/53/454481453.db2.gz QANDUTYZNNOLES-MRXNPFEDSA-N 2 0 327.476 3.040 10 0 EGAERP Cc1ncc(C[NH+]2CCC(C[NH+]3CCCC3)CC2)n1-c1ccccc1 ZINC000134211385 454516324 /nfs/dbraw/zinc/51/63/24/454516324.db2.gz HBKLMMSURZWLNF-UHFFFAOYSA-N 2 0 338.499 3.489 10 0 EGAERP CC[NH+](CC)Cc1ccc(C(=O)N2CCC[C@@H]2[C@@H]2CCC[N@@H+]2CC)o1 ZINC000106779550 454718489 /nfs/dbraw/zinc/71/84/89/454718489.db2.gz VRLUEJMYORVAPX-ZWKOTPCHSA-N 2 0 347.503 3.210 10 0 EGAERP CC(C)c1ccccc1NC(=O)N(CC[NH+](C)C)C1CC[NH+](C)CC1 ZINC000152793875 454726298 /nfs/dbraw/zinc/72/62/98/454726298.db2.gz IOBXEQWLXHTIBA-UHFFFAOYSA-N 2 0 346.519 3.300 10 0 EGAERP CCCC[N@H+](CC)Cc1cccc(CNC(=O)[C@@H]2CCC[C@H]([NH3+])C2)c1 ZINC000178850026 454984183 /nfs/dbraw/zinc/98/41/83/454984183.db2.gz WJKUXCBNEUAJRK-UXHICEINSA-N 2 0 345.531 3.442 10 0 EGAERP C[C@H](O)C[NH+]1CCC(C[N@H+](C)[C@H]2CCCc3ccc(F)cc32)CC1 ZINC000245500905 455316162 /nfs/dbraw/zinc/31/61/62/455316162.db2.gz AFPVNCVCVIVGRR-YWZLYKJASA-N 2 0 334.479 3.228 10 0 EGAERP C[N@@H+]1CCC[C@@H](CN[C@@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000245764158 455375153 /nfs/dbraw/zinc/37/51/53/455375153.db2.gz WASIGCXEHVAHAI-XSDIEEQYSA-N 2 0 327.516 3.113 10 0 EGAERP C[C@H]1CC[N@H+](CCCOCCc2ccccc2)C[C@H]1n1ccnc1 ZINC000246288548 455464588 /nfs/dbraw/zinc/46/45/88/455464588.db2.gz OPPZPQDXVCLISV-AZUAARDMSA-N 2 0 327.472 3.415 10 0 EGAERP Cc1ccc(NC(=O)CN2CC[C@@H]3[C@@H](CCC[N@@H+]3C3CC3)C2)c(C)c1 ZINC000246441136 455490540 /nfs/dbraw/zinc/49/05/40/455490540.db2.gz DEBISDSHEVSZJN-FXAWDEMLSA-N 2 0 341.499 3.191 10 0 EGAERP C[C@H]1C[C@@H](NC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000247122958 455562905 /nfs/dbraw/zinc/56/29/05/455562905.db2.gz AMNIKKSRUVHDSA-HHXCZETCSA-N 2 0 327.516 3.254 10 0 EGAERP CCc1ccc2c(CN3CC[C@@H]4[C@@H](CCC[N@@H+]4C)C3)cc(=O)oc2c1 ZINC000247300986 455585251 /nfs/dbraw/zinc/58/52/51/455585251.db2.gz USMDYFGJBDEOSI-QFBILLFUSA-N 2 0 340.467 3.272 10 0 EGAERP CC[N@@H+]1CC[C@H](NC[C@@H]2CCC[NH+](C)[C@@H]2c2cccs2)[C@@H](C)C1 ZINC000248178087 455694775 /nfs/dbraw/zinc/69/47/75/455694775.db2.gz VYYRENNSYRKYHC-DWRORGKVSA-N 3 0 335.561 3.451 10 0 EGAERP C[C@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1NC1CC[NH+](C2CC2)CC1 ZINC000268746468 455712948 /nfs/dbraw/zinc/71/29/48/455712948.db2.gz HUBNJVKMOBLGEZ-UWJYYQICSA-N 3 0 327.516 3.113 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CC1 ZINC000250103292 455784489 /nfs/dbraw/zinc/78/44/89/455784489.db2.gz RTHZYOGYCFTYBW-VAMGGRTRSA-N 2 0 328.500 3.039 10 0 EGAERP C[N@H+](CC1CC[NH+](C[C@H](O)c2ccccc2)CC1)C[C@@H]1CCC=CO1 ZINC000193903560 455786255 /nfs/dbraw/zinc/78/62/55/455786255.db2.gz KDFQHRKCGUBECY-SFTDATJTSA-N 2 0 344.499 3.057 10 0 EGAERP Cc1noc(CCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000272413743 455942525 /nfs/dbraw/zinc/94/25/25/455942525.db2.gz LWJWXERIPMPEPQ-REPLKXPHSA-N 2 0 340.471 3.096 10 0 EGAERP C[C@@]1(C[N@H+](CCc2ccccn2)Cc2ccc(F)cc2)CC[NH2+]C1 ZINC000261778825 455945859 /nfs/dbraw/zinc/94/58/59/455945859.db2.gz NTMYYKRLSAFBJE-HXUWFJFHSA-N 2 0 327.447 3.265 10 0 EGAERP CCOc1cc(CN(C)C[C@@]2(C)CC[NH2+]C2)ccc1OC(F)F ZINC000261909213 455969649 /nfs/dbraw/zinc/96/96/49/455969649.db2.gz XVSDNSRSNHBALS-KRWDZBQOSA-N 2 0 328.403 3.118 10 0 EGAERP COc1cc(C)c(CN(CC[NH3+])CCc2ccccc2)cc1OC ZINC000261927888 455972744 /nfs/dbraw/zinc/97/27/44/455972744.db2.gz CJBIHGYCRHWOFJ-UHFFFAOYSA-N 2 0 328.456 3.016 10 0 EGAERP Cc1cccc(NC[C@@H]2CC[N@H+](C[C@H](O)c3ccc(F)cc3F)C2)[nH+]1 ZINC000195516306 455976895 /nfs/dbraw/zinc/97/68/95/455976895.db2.gz QORMTGOJQAYYJG-KSSFIOAISA-N 2 0 347.409 3.136 10 0 EGAERP COc1cc2c(cc1F)[nH+]ccc2N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000280721982 456038079 /nfs/dbraw/zinc/03/80/79/456038079.db2.gz MHMQHGNHJDZNGF-CXAGYDPISA-N 2 0 329.419 3.303 10 0 EGAERP CCC(CC)(CNC(=O)[C@@H]1CC[C@H]([NH3+])C1)[NH2+][C@@H](C)c1ccccc1 ZINC000262662769 456051819 /nfs/dbraw/zinc/05/18/19/456051819.db2.gz HFRBQOVJTVTXCT-JQHSSLGASA-N 2 0 331.504 3.140 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](n2ccnc2C(C)C)C1 ZINC000229435568 456127453 /nfs/dbraw/zinc/12/74/53/456127453.db2.gz JVFLPFFXCOVRMI-IAGOWNOFSA-N 2 0 332.492 3.044 10 0 EGAERP c1ccc(C[N@@H+]2CC[C@H](N3CCC([NH+]4CCCCC4)CC3)C2)cc1 ZINC000271238378 456187180 /nfs/dbraw/zinc/18/71/80/456187180.db2.gz DDZIGDAHRXAXNP-NRFANRHFSA-N 2 0 327.516 3.211 10 0 EGAERP CC(C)[NH+]1CCC(N2CC[NH+](C[C@H](C)Cc3ccccc3)CC2)CC1 ZINC000273180111 456204364 /nfs/dbraw/zinc/20/43/64/456204364.db2.gz GUPAKLIXILNDHE-HXUWFJFHSA-N 2 0 343.559 3.356 10 0 EGAERP CC[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1ccc(F)cn1 ZINC000352784953 456304653 /nfs/dbraw/zinc/30/46/53/456304653.db2.gz YFWQUKXSXROVKO-SFHVURJKSA-N 2 0 348.510 3.212 10 0 EGAERP CCN1CC[NH+](C[C@H](C)CNc2cc[nH+]c3ccc(C)cc23)CC1 ZINC000302645692 456369011 /nfs/dbraw/zinc/36/90/11/456369011.db2.gz JAJCFWCNYLCLRH-QGZVFWFLSA-N 2 0 326.488 3.229 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000352929108 456419580 /nfs/dbraw/zinc/41/95/80/456419580.db2.gz BKDCKZJYGFGWHR-FUHWJXTLSA-N 2 0 331.504 3.494 10 0 EGAERP CCN(CCC[NH+]1CCCC1)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000276396363 456467487 /nfs/dbraw/zinc/46/74/87/456467487.db2.gz GGSFUYKDTRPGDN-UHFFFAOYSA-N 2 0 343.515 3.230 10 0 EGAERP CC(C)(C)O[C@H]1C[C@@H]([NH2+]Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000657703154 462236476 /nfs/dbraw/zinc/23/64/76/462236476.db2.gz UYWIOQXBEKBSHV-MSOLQXFVSA-N 2 0 340.471 3.483 10 0 EGAERP COCc1cccc(OCC2(C[N@@H+]3CC[C@@H](C[NH+](C)C)C3)CCC2)c1 ZINC000343317519 456526484 /nfs/dbraw/zinc/52/64/84/456526484.db2.gz VQFPVGICUALTGZ-IBGZPJMESA-N 2 0 346.515 3.266 10 0 EGAERP O[C@@H](C[NH2+]C[C@H]1CCC[N@H+](Cc2ccccc2)C1)CC1CCCC1 ZINC000310357262 456582150 /nfs/dbraw/zinc/58/21/50/456582150.db2.gz IQKSHPBBMLGWNY-NHCUHLMSSA-N 2 0 330.516 3.429 10 0 EGAERP FC(F)(F)OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000353314016 456631306 /nfs/dbraw/zinc/63/13/06/456631306.db2.gz LQJDHRVMJOFPTF-MQVJKMGUSA-N 2 0 328.378 3.308 10 0 EGAERP C[NH+]1CCN(Cc2ccc(C[NH2+][C@@H]3CC[C@@H]3C3CCC3)cc2)CC1 ZINC000337986498 456639437 /nfs/dbraw/zinc/63/94/37/456639437.db2.gz DJJDWHIOTHMHRP-NHCUHLMSSA-N 2 0 327.516 3.102 10 0 EGAERP CO[C@H](CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1)C(F)(F)F ZINC000348418694 456678055 /nfs/dbraw/zinc/67/80/55/456678055.db2.gz JHIUKUVDYSSTDN-HYVNUMGLSA-N 2 0 344.421 3.454 10 0 EGAERP O=C(Nc1ccc(C[NH+]2CCCC2)cc1)[C@H]1C[NH2+]Cc2ccccc21 ZINC000327266146 456705474 /nfs/dbraw/zinc/70/54/74/456705474.db2.gz RBNDJVLTNPLDEC-FQEVSTJZSA-N 2 0 335.451 3.108 10 0 EGAERP C[NH+](C)CCOC1CC[NH+](Cc2ccccc2OCC2CC2)CC1 ZINC000353520994 456731825 /nfs/dbraw/zinc/73/18/25/456731825.db2.gz QPRFMYILBWFXGE-UHFFFAOYSA-N 2 0 332.488 3.018 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C[C@@H]2CC[N@H+](CC)C2)c2ccccc21 ZINC000283199440 456734752 /nfs/dbraw/zinc/73/47/52/456734752.db2.gz LGAVMFXACUJPQP-IPELMVKDSA-N 2 0 330.472 3.100 10 0 EGAERP C[C@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)CC1 ZINC000353631273 456815040 /nfs/dbraw/zinc/81/50/40/456815040.db2.gz KSHKJYNFJWEKSJ-OTNPHJDUSA-N 2 0 342.531 3.069 10 0 EGAERP C[C@@H](C(=O)Nc1ccc2ccccc2c1)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000292042312 456837795 /nfs/dbraw/zinc/83/77/95/456837795.db2.gz APCNKSYOPDIVFP-KKSFZXQISA-N 2 0 337.467 3.194 10 0 EGAERP C[NH+]1CCC([C@@H]2CC[N@H+](Cc3cc(-n4ccnc4)cs3)C2)CC1 ZINC000349189605 456908315 /nfs/dbraw/zinc/90/83/15/456908315.db2.gz MCRGXABCVVCOEG-MRXNPFEDSA-N 2 0 330.501 3.098 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]Cc2ccc(COC)cc2)[C@H](C)C1 ZINC000339097602 456939661 /nfs/dbraw/zinc/93/96/61/456939661.db2.gz YTILKCRZXDQJHS-XLIONFOSSA-N 2 0 334.504 3.060 10 0 EGAERP CC[C@H](C(=O)NCc1ccccc1C[N@H+](C)C(C)C)[NH+](CC)CC ZINC000345799512 456994690 /nfs/dbraw/zinc/99/46/90/456994690.db2.gz NJLHDHDAZGRNAT-LJQANCHMSA-N 2 0 333.520 3.263 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000346443610 457042934 /nfs/dbraw/zinc/04/29/34/457042934.db2.gz JNTVDDQKYPECJC-RCJHGTSTSA-N 2 0 349.544 3.120 10 0 EGAERP C[N@@H+]1CCC[C@]2(CC[NH+](CCCc3nc(-c4cccs4)no3)C2)C1 ZINC000339438047 457118081 /nfs/dbraw/zinc/11/80/81/457118081.db2.gz TWHLCLZSKLZKLE-SFHVURJKSA-N 2 0 346.500 3.148 10 0 EGAERP Cc1nn(C)c(C)c1CC[NH2+][C@H](C)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000359892559 457139185 /nfs/dbraw/zinc/13/91/85/457139185.db2.gz BUQCLLJHDMMFDJ-UZLBHIALSA-N 2 0 340.515 3.080 10 0 EGAERP C[N@@H+]1CCC[C@H]2CN(Cc3cnc(-c4ccccn4)s3)CC[C@H]21 ZINC000355221472 457348564 /nfs/dbraw/zinc/34/85/64/457348564.db2.gz MAXPZKYSKBYGAY-WMLDXEAASA-N 2 0 328.485 3.121 10 0 EGAERP CC[NH+](CC)[C@H](C)CNC(=O)N[C@H](C)[C@@H](c1ccccc1C)[NH+](C)C ZINC000355598380 457392913 /nfs/dbraw/zinc/39/29/13/457392913.db2.gz JGZJVKUIFPJWBU-LMMKCTJWSA-N 2 0 348.535 3.016 10 0 EGAERP COCC[N@H+](C)CCCC1CC[NH+](CC[C@H]2CCCCO2)CC1 ZINC000347538897 457494159 /nfs/dbraw/zinc/49/41/59/457494159.db2.gz KMGRSHCQGVYPBK-LJQANCHMSA-N 2 0 326.525 3.016 10 0 EGAERP CC(C)[NH+]1CCC([NH2+][C@H](C)[C@H]2CCN(C(=O)OC(C)(C)C)C2)CC1 ZINC000400502816 457518193 /nfs/dbraw/zinc/51/81/93/457518193.db2.gz HEFKQPQLXIWYRA-CVEARBPZSA-N 2 0 339.524 3.094 10 0 EGAERP C[C@@H]1CCCC[N@@H+]1CCC1CC[NH+]([C@H]2CCN(C(C)(C)C)C2=O)CC1 ZINC000425412692 457541050 /nfs/dbraw/zinc/54/10/50/457541050.db2.gz BYUDJSWJBAQNBH-MJGOQNOKSA-N 2 0 349.563 3.362 10 0 EGAERP COc1cc(C[NH2+]C[C@]2(C)CC[N@H+](Cc3ccccc3)C2)ccc1O ZINC000370172421 457573506 /nfs/dbraw/zinc/57/35/06/457573506.db2.gz KIQVGRSKJXNMJA-NRFANRHFSA-N 2 0 340.467 3.403 10 0 EGAERP C[NH+](C)Cc1cc(C[NH2+]Cc2ccc(-c3cc[nH]n3)o2)ccc1F ZINC000433318840 457808734 /nfs/dbraw/zinc/80/87/34/457808734.db2.gz MMVOKZLSEUASKP-UHFFFAOYSA-N 2 0 328.391 3.160 10 0 EGAERP CC(CC[NH+](C)C[C@@H]1CCCCO1)CC[N@H+](C)C[C@@H]1CCCCO1 ZINC000411183208 457823837 /nfs/dbraw/zinc/82/38/37/457823837.db2.gz CSRCEPPWJILUFT-PMACEKPBSA-N 2 0 340.552 3.405 10 0 EGAERP Cn1cncc1CN[C@@H](c1ccc(F)c(F)c1)C(C)(C)[NH+]1CCCC1 ZINC000361987154 457993290 /nfs/dbraw/zinc/99/32/90/457993290.db2.gz SILNPDBPCPIVDR-SFHVURJKSA-N 2 0 348.441 3.404 10 0 EGAERP COc1ccc(NC(=O)C[C@@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1 ZINC000376028055 458169191 /nfs/dbraw/zinc/16/91/91/458169191.db2.gz HQMFZTYXGOUKTP-FAEJEUNOSA-N 2 0 345.487 3.019 10 0 EGAERP CCN(Cc1ccccc1)C(=O)[C@H](C)[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000372169892 458218210 /nfs/dbraw/zinc/21/82/10/458218210.db2.gz QADZFBQXNAQXFR-INIZCTEOSA-N 2 0 340.471 3.026 10 0 EGAERP C[C@H]1CC[C@@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)c2sccc21 ZINC000423501178 458444367 /nfs/dbraw/zinc/44/43/67/458444367.db2.gz AYVXSXISOFSCND-MMIPBJDJSA-N 2 0 333.545 3.493 10 0 EGAERP Cc1ccc([C@@H]([NH2+]C2CCC(N3CC[NH2+]CC3)CC2)C2CCC2)o1 ZINC000423504805 458445172 /nfs/dbraw/zinc/44/51/72/458445172.db2.gz HEUHVSYJEZDRQU-QLOJAFMTSA-N 2 0 331.504 3.235 10 0 EGAERP Cc1ccc2c(c1)[C@@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)[C@@H](C)C2 ZINC000423507615 458446340 /nfs/dbraw/zinc/44/63/40/458446340.db2.gz JTGXOBCBPGWJSV-IDVGRALLSA-N 2 0 327.516 3.034 10 0 EGAERP CC1(C)Cc2occc2[C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C1 ZINC000423511155 458447320 /nfs/dbraw/zinc/44/73/20/458447320.db2.gz NLMAOBNMLKZHQD-LEOMRAHMSA-N 2 0 331.504 3.099 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+]2CCNCC2)CC1)c1cccc(C2CC2)c1 ZINC000423515446 458448544 /nfs/dbraw/zinc/44/85/44/458448544.db2.gz VMVJPLUAHLMSNR-ATIQYGATSA-N 2 0 327.516 3.431 10 0 EGAERP COc1ccc2c(c1)C[C@@H]([NH2+]CC1([NH3+])C3CC4CC(C3)CC1C4)CC2 ZINC000423523517 458451138 /nfs/dbraw/zinc/45/11/38/458451138.db2.gz IMCDFFRLUZXIQH-HKIBHVNGSA-N 2 0 340.511 3.296 10 0 EGAERP Fc1ccc(-n2ccc(CN3CCC(c4c[nH]cn4)CC3)n2)c(F)c1 ZINC000377139940 458473172 /nfs/dbraw/zinc/47/31/72/458473172.db2.gz KTNXJHJMQHJDBP-UHFFFAOYSA-N 2 0 343.381 3.253 10 0 EGAERP COC(=O)c1cnc([C@H](C)NCc2cc(-n3ccnc3)cs2)s1 ZINC000424198665 458583049 /nfs/dbraw/zinc/58/30/49/458583049.db2.gz JIVNFUAQMXOISN-JTQLQIEISA-N 2 0 348.453 3.028 10 0 EGAERP C[N@@H+]1CCCC[C@H]1CCC(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1 ZINC000431563459 458588720 /nfs/dbraw/zinc/58/87/20/458588720.db2.gz CDIPQVKEMMOOIX-ZWKOTPCHSA-N 2 0 347.503 3.187 10 0 EGAERP Cc1cc(N[C@@H]2CC[N@H+](C)[C@@H](C)C2)c2cc(OC(F)F)ccc2[nH+]1 ZINC000462876332 458662894 /nfs/dbraw/zinc/66/28/94/458662894.db2.gz DMTRSZPIHFZAHP-QWHCGFSZSA-N 2 0 335.398 3.461 10 0 EGAERP C[C@@H]1CC[N@H+](CCN[C@H]2CC[NH+](Cc3ccccc3)C3(CC3)C2)C1 ZINC000518533409 458875986 /nfs/dbraw/zinc/87/59/86/458875986.db2.gz YVYPGTDXDAUISB-QUCCMNQESA-N 2 0 327.516 3.115 10 0 EGAERP CC(C)[N@@H+]1CC[C@@H](C[NH2+]Cc2cccc(OCC(F)(F)F)c2)C1 ZINC000556199027 458936372 /nfs/dbraw/zinc/93/63/72/458936372.db2.gz ZQTGHVAGGFNUSZ-HNNXBMFYSA-N 2 0 330.394 3.448 10 0 EGAERP CCn1c2ccc(F)cc2nc1C[N@@H+]1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000566799670 459002592 /nfs/dbraw/zinc/00/25/92/459002592.db2.gz IXMHUCJBUDWXFG-HUUCEWRRSA-N 2 0 330.451 3.017 10 0 EGAERP C[C@@H]([NH2+]CC1([NH3+])CCCCCC1)[C@H](c1ccccc1)N1CCOCC1 ZINC000520216667 459039948 /nfs/dbraw/zinc/03/99/48/459039948.db2.gz KQTFUUFUOHIIIO-UYAOXDASSA-N 2 0 345.531 3.090 10 0 EGAERP O[C@H](C[NH2+]Cc1cccc(C[NH+]2CCCCCC2)c1)C(F)(F)F ZINC000567682481 459143386 /nfs/dbraw/zinc/14/33/86/459143386.db2.gz SXJCZLYWWWILKD-MRXNPFEDSA-N 2 0 330.394 3.075 10 0 EGAERP C[C@H]([NH2+]C1CCC([NH+](C)C)CC1)[C@H]1CCN(C(=O)OC(C)(C)C)C1 ZINC000496400714 459179958 /nfs/dbraw/zinc/17/99/58/459179958.db2.gz GJGHZOIXRWHWNN-JUVOFCAFSA-N 2 0 339.524 3.094 10 0 EGAERP CCC[N@H+](Cc1ccc2c(c1)C[NH2+]CC2)[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000568050755 459214485 /nfs/dbraw/zinc/21/44/85/459214485.db2.gz DVRHGIGYACLHBQ-AQNXPRMDSA-N 2 0 328.500 3.358 10 0 EGAERP C[C@H](CCc1ccc(Br)cc1)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000481048329 459229667 /nfs/dbraw/zinc/22/96/67/459229667.db2.gz LPCSAANOQABQKD-ZENOOKHLSA-N 2 0 325.294 3.310 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2nc(-c3ccc(C)cc3)no2)[C@@H](C)C1 ZINC000562302904 459534742 /nfs/dbraw/zinc/53/47/42/459534742.db2.gz PJHXYRYZEYHRMV-RDJZCZTQSA-N 2 0 328.460 3.207 10 0 EGAERP COc1ccc(-c2cnc(C[NH+]3CCC([C@@H]4CCC[NH2+]4)CC3)o2)cc1 ZINC000562838318 459657814 /nfs/dbraw/zinc/65/78/14/459657814.db2.gz WBWARVSOBHHRDK-SFHVURJKSA-N 2 0 341.455 3.314 10 0 EGAERP COc1ccc2[nH]c3c(c2c1)C[C@@H]([NH2+]Cc1ccc2c[nH+]cn2c1)CC3 ZINC000573422863 459674686 /nfs/dbraw/zinc/67/46/86/459674686.db2.gz PEFIKFGWMFQXMY-HNNXBMFYSA-N 2 0 346.434 3.471 10 0 EGAERP C[C@H]1C[C@H](NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669794 459691842 /nfs/dbraw/zinc/69/18/42/459691842.db2.gz ZCJMTXHDQHFPCB-GXSJLCMTSA-N 2 0 333.220 3.300 10 0 EGAERP C[C@H]1C[C@@H](NCc2ccc(Br)c(F)c2F)CC[N@@H+]1C ZINC000527669801 459692331 /nfs/dbraw/zinc/69/23/31/459692331.db2.gz ZCJMTXHDQHFPCB-ONGXEEELSA-N 2 0 333.220 3.300 10 0 EGAERP Cc1cc(C[NH2+]C[C@H]2CCN2C2CCCCC2)ccc1-n1cncn1 ZINC000527751104 459725509 /nfs/dbraw/zinc/72/55/09/459725509.db2.gz HACFLDFARLEKQV-LJQANCHMSA-N 2 0 339.487 3.072 10 0 EGAERP Cc1ccccc1C[C@@H](C)[N@@H+](C)CCCN1CC[NH+](C(C)C)CC1 ZINC000501849891 459749316 /nfs/dbraw/zinc/74/93/16/459749316.db2.gz IWNKYYZIDIMNAA-HXUWFJFHSA-N 2 0 331.548 3.274 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CCN1C1CCCC1)c1cccc(OCC[NH+](C)C)c1 ZINC000528008526 459795046 /nfs/dbraw/zinc/79/50/46/459795046.db2.gz FKBSMTPVYJYVDG-XLIONFOSSA-N 2 0 345.531 3.295 10 0 EGAERP CC(C)OC[C@H](O)C[NH2+]CC1(N[C@@H](C)c2ccccc2)CCCC1 ZINC000566118180 459808327 /nfs/dbraw/zinc/80/83/27/459808327.db2.gz XPJJHKJZDCDYEF-PKOBYXMFSA-N 2 0 334.504 3.026 10 0 EGAERP C[C@@H]1C[NH+](Cc2cccc(N[C@@H]3CCCCC[C@H]3[NH3+])c2)C[C@@H](C)O1 ZINC000574392386 459813284 /nfs/dbraw/zinc/81/32/84/459813284.db2.gz UITFFEHGUVDXBB-XNFNUYLZSA-N 2 0 331.504 3.368 10 0 EGAERP CC[C@H]([NH2+]Cc1ccccc1C[NH2+]C)c1ccc(C(=O)OC)cc1 ZINC000593323055 459841098 /nfs/dbraw/zinc/84/10/98/459841098.db2.gz OSJHMLZJXFJUHK-IBGZPJMESA-N 2 0 326.440 3.434 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CC[C@@H](c2ccc(O)cc2)C1 ZINC000628480725 460435440 /nfs/dbraw/zinc/43/54/40/460435440.db2.gz AEZUANGKZXLUGH-QGZVFWFLSA-N 2 0 334.423 3.271 10 0 EGAERP C[C@@H](C[NH2+][C@@H](C)c1ccc(C2CCC2)cc1)CN1CC[NH+](C)CC1 ZINC000631574740 460451226 /nfs/dbraw/zinc/45/12/26/460451226.db2.gz FGDWVIWZRKWHNQ-ROUUACIJSA-N 2 0 329.532 3.488 10 0 EGAERP COc1cccc([C@@H](CN[C@H]2CC[N@H+](C)C(C)(C)C2)[NH+]2CCCC2)c1 ZINC000623338126 460495304 /nfs/dbraw/zinc/49/53/04/460495304.db2.gz MIKXSOZIMFAMDP-AZUAARDMSA-N 2 0 345.531 3.295 10 0 EGAERP CC[C@H](CN[C@@H]1CC[N@H+](C)C(C)(C)C1)[NH+]1CCc2ccccc2C1 ZINC000623347945 460502909 /nfs/dbraw/zinc/50/29/09/460502909.db2.gz MOYQGRSRMUQEQX-WOJBJXKFSA-N 2 0 329.532 3.286 10 0 EGAERP CC[NH+](CC)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)Cc1ccccc1 ZINC000623355040 460507265 /nfs/dbraw/zinc/50/72/65/460507265.db2.gz VOXFURYLDZCXDM-VQTJNVASSA-N 2 0 331.548 3.402 10 0 EGAERP C[C@@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]CCn1ccnc1 ZINC000623851978 460743911 /nfs/dbraw/zinc/74/39/11/460743911.db2.gz MMSBFDXGYSICJJ-JTQLQIEISA-N 2 0 332.757 3.171 10 0 EGAERP COc1ccc(C[NH+]2CCC(C[NH2+][C@@H](C)[C@H]3CCCCO3)CC2)cc1 ZINC000623879266 460759048 /nfs/dbraw/zinc/75/90/48/460759048.db2.gz BSRZHWALMQDADU-LAUBAEHRSA-N 2 0 346.515 3.454 10 0 EGAERP C[C@@H]([NH2+]CCOCCC[NH3+])c1ccc2ccccc2c1OC(F)F ZINC000629536014 460799295 /nfs/dbraw/zinc/79/92/95/460799295.db2.gz DPZWYNUGPIIBHE-CYBMUJFWSA-N 2 0 338.398 3.457 10 0 EGAERP C[C@H]([NH2+]Cc1ccc(OC2CC[NH+](C)CC2)cc1)[C@@H]1CCCCO1 ZINC000623979637 460807875 /nfs/dbraw/zinc/80/78/75/460807875.db2.gz HVWDVSMYDYGTLO-JXFKEZNVSA-N 2 0 332.488 3.207 10 0 EGAERP C[C@H](Cc1ncc(C(F)(F)F)cc1Cl)[NH2+]C[C@H](C)C[NH+](C)C ZINC000623987849 460811625 /nfs/dbraw/zinc/81/16/25/460811625.db2.gz QDMPRJYZLSHTKB-WDEREUQCSA-N 2 0 337.817 3.472 10 0 EGAERP CN(c1ccccc1C[NH2+]CC[C@H]1CC1(F)F)C1CC[NH+](C)CC1 ZINC000621378349 461014952 /nfs/dbraw/zinc/01/49/52/461014952.db2.gz UVVZNDPYKFJAPL-INIZCTEOSA-N 2 0 337.458 3.352 10 0 EGAERP COc1ccc(C[N@@H+]2CCC[C@@H]3C[NH+](C)CC[C@H]32)cc1OC1CC1 ZINC000628280669 461070942 /nfs/dbraw/zinc/07/09/42/461070942.db2.gz BMDRJDRPWYXBRB-SJLPKXTDSA-N 2 0 330.472 3.153 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCOc2cccc(Cl)c2)C1 ZINC000652360328 461153992 /nfs/dbraw/zinc/15/39/92/461153992.db2.gz FLYMBDHZPWSDBY-NJAFHUGGSA-N 2 0 338.879 3.080 10 0 EGAERP C[C@H](c1ccsc1)N1CC[NH+](Cc2cccc3c2CC[NH2+]C3)CC1 ZINC000662276953 461161413 /nfs/dbraw/zinc/16/14/13/461161413.db2.gz BIGUBGAVQSCZHT-MRXNPFEDSA-N 2 0 341.524 3.273 10 0 EGAERP C[C@H]([NH2+]Cc1cccc2c1CC[NH2+]C2)c1cccc(-n2cccn2)c1 ZINC000662284693 461165811 /nfs/dbraw/zinc/16/58/11/461165811.db2.gz ZLUIPBAXYUWZKD-INIZCTEOSA-N 2 0 332.451 3.369 10 0 EGAERP CCOc1ccccc1OCC[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000662294028 461173664 /nfs/dbraw/zinc/17/36/64/461173664.db2.gz AFUUAVXPHKLAFU-GOSISDBHSA-N 2 0 332.488 3.176 10 0 EGAERP c1c(C2CC[NH+](C[C@@H]3CC[C@H]4C[C@H]4C3)CC2)n[nH]c1C1CC[NH2+]CC1 ZINC000662327491 461195500 /nfs/dbraw/zinc/19/55/00/461195500.db2.gz PKQSGOOSTXHLPS-AYOQOUSVSA-N 2 0 342.531 3.492 10 0 EGAERP CC(C)(C)[C@@H]1C[C@@H]([NH2+]CC2CC[NH+](C3CCOCC3)CC2)CS1 ZINC000668439887 461282406 /nfs/dbraw/zinc/28/24/06/461282406.db2.gz GEBBEZXYUKKIHB-AEFFLSMTSA-N 2 0 340.577 3.387 10 0 EGAERP C[C@H](C[NH2+]CC1CC[NH+](C2CCOCC2)CC1)Cc1ccccc1 ZINC000668440548 461282472 /nfs/dbraw/zinc/28/24/72/461282472.db2.gz NWJPKKUUMGNNEX-SFHVURJKSA-N 2 0 330.516 3.346 10 0 EGAERP C[C@@H]1CC[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)C[C@H](C)O1 ZINC000668625820 461358100 /nfs/dbraw/zinc/35/81/00/461358100.db2.gz BYGHYQKOXNYUPY-MSOLQXFVSA-N 2 0 345.531 3.216 10 0 EGAERP CCC[N@H+](C)CC(C)(C)NC(=O)Nc1cccc(-c2nccn2C)c1 ZINC000665975099 461384904 /nfs/dbraw/zinc/38/49/04/461384904.db2.gz DPMOKPIJGKBTIX-UHFFFAOYSA-N 2 0 343.475 3.329 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000659873022 461472925 /nfs/dbraw/zinc/47/29/25/461472925.db2.gz JCRIUAZSEWURNB-SFHVURJKSA-N 2 0 338.442 3.255 10 0 EGAERP Cc1nn(-c2ccc(F)cc2)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825790 461479858 /nfs/dbraw/zinc/47/98/58/461479858.db2.gz MFIONAZQVAIEKM-RHNCMZPLSA-N 2 0 330.451 3.058 10 0 EGAERP Cc1nn(Cc2ccc(C)cc2)c(C)c1C[NH2+]C[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655825328 461480580 /nfs/dbraw/zinc/48/05/80/461480580.db2.gz DPANKTNUEQCYSG-BGYRXZFFSA-N 2 0 340.515 3.286 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](C[NH2+]Cc2ccccc2OCc2ccncc2)C1 ZINC000655826497 461480794 /nfs/dbraw/zinc/48/07/94/461480794.db2.gz GNFHNZBHJFRLGJ-IZAXUBKRSA-N 2 0 325.456 3.090 10 0 EGAERP C[N@H+]1CC=C(C[NH2+][C@@H]2CCN(Cc3ccccc3)C3(CC3)C2)CC1 ZINC000647199184 461561798 /nfs/dbraw/zinc/56/17/98/461561798.db2.gz QODAHQBXNKSPHN-HXUWFJFHSA-N 2 0 325.500 3.035 10 0 EGAERP COc1ccc(C[NH2+]CC[C@@H]([NH3+])C(C)C)cc1OCc1cccnc1 ZINC000663498804 461672282 /nfs/dbraw/zinc/67/22/82/461672282.db2.gz GMZUBBVUFBUFCR-GOSISDBHSA-N 2 0 343.471 3.132 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)c2nc(C)nc(C)c2Br)[C@@H](C)C1 ZINC000663658557 461739688 /nfs/dbraw/zinc/73/96/88/461739688.db2.gz MWXMRUPGTZOVBD-GXFFZTMASA-N 2 0 341.297 3.022 10 0 EGAERP C[C@H](Cc1ccccc1)[NH+]1CCC(N[C@H]2CC[NH2+]C3(CCC3)C2)CC1 ZINC000643548984 461761493 /nfs/dbraw/zinc/76/14/93/461761493.db2.gz YSINNNXLADUNLA-NQIIRXRSSA-N 2 0 341.543 3.346 10 0 EGAERP [NH3+][C@H]1CCC[C@@H]([NH2+]Cc2cn(C3CCCC3)nc2-c2ccccn2)C1 ZINC000666853914 461836324 /nfs/dbraw/zinc/83/63/24/461836324.db2.gz MSJFWPNVHQZENS-DLBZAZTESA-N 2 0 339.487 3.420 10 0 EGAERP C[C@H]([NH3+])[C@H](Cc1ccccc1)[NH2+]CC[C@@H]1CSc2ccccc2O1 ZINC000647801262 461842657 /nfs/dbraw/zinc/84/26/57/461842657.db2.gz SZTYOCHKHBZSCK-JQHSSLGASA-N 2 0 342.508 3.478 10 0 EGAERP Fc1ccccc1-c1n[nH]cc1C[N@@H+]1CCC[C@@H](C2CC[NH2+]CC2)C1 ZINC000656785553 461896343 /nfs/dbraw/zinc/89/63/43/461896343.db2.gz LXCJGSPMZDYWTL-MRXNPFEDSA-N 2 0 342.462 3.427 10 0 EGAERP Cc1ccccc1-n1cc(C[NH+]2CCC(CC[NH+](C)C)CC2)cn1 ZINC000648003474 461933537 /nfs/dbraw/zinc/93/35/37/461933537.db2.gz GYSFHIQLYFGZAO-UHFFFAOYSA-N 2 0 326.488 3.344 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)[C@@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000650757196 461936937 /nfs/dbraw/zinc/93/69/37/461936937.db2.gz RDLPTWUASLDILV-PGRDOPGGSA-N 3 0 337.511 3.406 10 0 EGAERP O[C@@H]1CCC[C@H]1[NH+]1CCC2(CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000639725165 462077440 /nfs/dbraw/zinc/07/74/40/462077440.db2.gz IBVAXTKVLIWKKO-WOJBJXKFSA-N 2 0 328.500 3.278 10 0 EGAERP C[C@H]1C[C@@H](CC[NH2+]Cc2cnn3c2CCC3)C[N@@H+]1Cc1ccccc1 ZINC000657415868 462109492 /nfs/dbraw/zinc/10/94/92/462109492.db2.gz ODELTFWJOIDRLG-PKOBYXMFSA-N 2 0 338.499 3.220 10 0 EGAERP c1cc(C[NH2+]C[C@H]2CCCN(c3ccccc3)C2)n(-c2cc[nH+]cc2)n1 ZINC000657452298 462133652 /nfs/dbraw/zinc/13/36/52/462133652.db2.gz IPBKEUBONUBSIH-GOSISDBHSA-N 2 0 347.466 3.274 10 0 EGAERP COC1CC(CC[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)C1 ZINC000657528231 462168436 /nfs/dbraw/zinc/16/84/36/462168436.db2.gz SVHNDJODKZVRGH-UHFFFAOYSA-N 2 0 345.531 3.122 10 0 EGAERP Fc1ccc(/C=C/C[NH2+]CC2CC[NH+](C3CCOCC3)CC2)cc1 ZINC000657534593 462170707 /nfs/dbraw/zinc/17/07/07/462170707.db2.gz BDTTXVYJIREBJM-OWOJBTEDSA-N 2 0 332.463 3.320 10 0 EGAERP CC1=CCC[C@H](C)[C@@H]1C[NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000657595362 462197498 /nfs/dbraw/zinc/19/74/98/462197498.db2.gz HEGSUDDYEYHNTK-DZFGPLHGSA-N 2 0 328.500 3.335 10 0 EGAERP CC[N@@H+]1CC[C@H]([NH+](C)Cc2ccc(O[C@@H](C)COC)cc2)[C@H](C)C1 ZINC000667666748 462200833 /nfs/dbraw/zinc/20/08/33/462200833.db2.gz XBRJRQVETQISLS-UWVAXJGDSA-N 2 0 334.504 3.262 10 0 EGAERP C[C@@H]1CCC[C@@H](C[NH2+]Cc2ccccc2N(C)C2CC[NH+](C)CC2)O1 ZINC000657664187 462221416 /nfs/dbraw/zinc/22/14/16/462221416.db2.gz IFCVVTFBFAXLHG-XLIONFOSSA-N 2 0 345.531 3.264 10 0 EGAERP CCO[C@H]1C[C@H]([N@H+](C)Cc2ccnn2-c2cc[nH+]cc2)C12CCC2 ZINC000667704380 462222732 /nfs/dbraw/zinc/22/27/32/462222732.db2.gz IDESPIYYXBXPFK-ROUUACIJSA-N 2 0 326.444 3.047 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000648714967 462242442 /nfs/dbraw/zinc/24/24/42/462242442.db2.gz VEEZVOBFXCRVDQ-AQNXPRMDSA-N 2 0 340.471 3.091 10 0 EGAERP CN(c1ccccc1C[NH2+]C[C@@H]1CCOC1(C)C)C1CC[NH+](C)CC1 ZINC000657785784 462264744 /nfs/dbraw/zinc/26/47/44/462264744.db2.gz NVVPXSOBCZYALJ-SFHVURJKSA-N 2 0 345.531 3.122 10 0 EGAERP COC[C@@H](CC1CCOCC1)[NH2+]Cc1cccc(C[N@H+](C)C(C)C)c1 ZINC000657856327 462299434 /nfs/dbraw/zinc/29/94/34/462299434.db2.gz MZGCZSGMQZPJKC-OAQYLSRUSA-N 2 0 348.531 3.448 10 0 EGAERP COC[C@H]1CCC[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)CC1 ZINC000648867055 462311501 /nfs/dbraw/zinc/31/15/01/462311501.db2.gz SUAFULXVZZOBPU-FQEVSTJZSA-N 2 0 346.515 3.410 10 0 EGAERP CC(C)C[N@H+](C)CCCN[C@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000651864712 462360160 /nfs/dbraw/zinc/36/01/60/462360160.db2.gz BGMUZBVKVWFLER-TZIWHRDSSA-N 2 0 331.548 3.465 10 0 EGAERP CC(C)[C@@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccnc1 ZINC000658067402 462365389 /nfs/dbraw/zinc/36/53/89/462365389.db2.gz NHQLLGKKQKHVHL-HXUWFJFHSA-N 2 0 331.504 3.259 10 0 EGAERP C[C@H](CC(=O)Nc1ccccc1)N[C@@H]1C[NH2+]CC[C@@H]1c1ccccc1 ZINC000665250625 462369316 /nfs/dbraw/zinc/36/93/16/462369316.db2.gz XWEHMAQZHJTMMI-NSISKUIASA-N 2 0 337.467 3.139 10 0 EGAERP C[C@@H](NC[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)[C@H]1CCC[NH2+]1 ZINC000665277341 462382048 /nfs/dbraw/zinc/38/20/48/462382048.db2.gz ZHHUWMQJGAIVRC-MISYRCLQSA-N 2 0 327.516 3.019 10 0 EGAERP CCC[C@H]([NH2+]C1CCN(C(=O)CCC[NH2+]C)CC1)c1ccccc1 ZINC000665285103 462384901 /nfs/dbraw/zinc/38/49/01/462384901.db2.gz CNVUZZYCBLEMAV-IBGZPJMESA-N 2 0 331.504 3.108 10 0 EGAERP CC(C)c1nc([C@@H](C)[NH2+][C@@H](C)CN(C)CCC[NH+](C)C)cs1 ZINC000658106627 462387364 /nfs/dbraw/zinc/38/73/64/462387364.db2.gz JLCYFJHJLFUQLN-LSDHHAIUSA-N 2 0 326.554 3.189 10 0 EGAERP C[NH2+]CCCC(=O)N1CCC([NH2+][C@H]2CC[C@H](CCC(C)C)C2)CC1 ZINC000665289699 462387689 /nfs/dbraw/zinc/38/76/89/462387689.db2.gz VEQMUFZNZARMBF-HKUYNNGSSA-N 2 0 337.552 3.172 10 0 EGAERP CC[N@H+](Cc1ccc(OCC[NH+]2CCCC2)cc1)[C@H]1CCCOC1 ZINC000651948348 462388355 /nfs/dbraw/zinc/38/83/55/462388355.db2.gz JSMRYEPFCWZGDO-IBGZPJMESA-N 2 0 332.488 3.162 10 0 EGAERP OCC1(CC[NH2+][C@@H]2CCC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)CCC1 ZINC000652037253 462412452 /nfs/dbraw/zinc/41/24/52/462412452.db2.gz KKZALUVHEUCRBT-PWRODBHTSA-N 2 0 342.527 3.429 10 0 EGAERP C[C@@H]([NH2+][C@@H](C1CC1)C1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000652246061 462488455 /nfs/dbraw/zinc/48/84/55/462488455.db2.gz KEWKLUZPALVDOP-IERDGZPVSA-N 2 0 346.515 3.483 10 0 EGAERP C[C@@H](CN1CC[NH+](C)CC1)[NH2+][C@H](Cc1ccccc1)C1CCCCC1 ZINC000155015652 546897847 /nfs/dbraw/zinc/89/78/47/546897847.db2.gz WPKCVEAYRZFCAK-SIKLNZKXSA-N 2 0 343.559 3.404 10 0 EGAERP CC[N@@H+]1CC[C@@H](NCc2ccc(Br)cc2OC)[C@H](C)C1 ZINC000180950805 547062343 /nfs/dbraw/zinc/06/23/43/547062343.db2.gz VVOUIEXMHCPOCF-IUODEOHRSA-N 2 0 341.293 3.278 10 0 EGAERP COc1cccc(C[N@@H+]2CC[C@@H](CNc3cccc(C)[nH+]3)C2)c1F ZINC000192948100 547208158 /nfs/dbraw/zinc/20/81/58/547208158.db2.gz MDJDQXOGRWIVIL-HNNXBMFYSA-N 2 0 329.419 3.472 10 0 EGAERP C[C@H]([NH2+][C@@H]1CC[C@@H]2C[N@H+](Cc3ccccc3)C[C@H]12)C1CC[NH+](C)CC1 ZINC000310786028 547461972 /nfs/dbraw/zinc/46/19/72/547461972.db2.gz CQOCSIZJAJVPFK-KVJIRVJXSA-N 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BZMHQLUJGPHLHW-SLFFLAALSA-N 2 0 343.515 3.082 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]CC2(c3ccc(F)cc3)CCOCC2)C1 ZINC000925508254 1325183124 /nfs/dbraw/zinc/18/31/24/1325183124.db2.gz PQWVLWDPQZRSOZ-ZWKOTPCHSA-N 2 0 334.479 3.370 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCc2ccn(-c3ccc(F)cc3)n2)C[C@@H]([NH3+])C1 ZINC000925524709 1325189308 /nfs/dbraw/zinc/18/93/08/1325189308.db2.gz YLXVDHBGEPFUFS-WBVHZDCISA-N 2 0 330.451 3.050 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]CC2CC[NH+](Cc3cccs3)CC2)C1 ZINC000925531485 1325193264 /nfs/dbraw/zinc/19/32/64/1325193264.db2.gz KUCIKZWONDZEKW-IAGOWNOFSA-N 3 0 335.561 3.456 10 0 EGAERP [NH3+][C@H]1C[C@H]([NH2+]Cc2ccc(COCC(F)(F)F)cc2)C12CCC2 ZINC000925533073 1325195504 /nfs/dbraw/zinc/19/55/04/1325195504.db2.gz JAAYXJLCMBFSAF-GJZGRUSLSA-N 2 0 328.378 3.125 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+]C[C@H](c2cccc(Cl)c2)N2CCCC2)C12CCC2 ZINC000925542561 1325200328 /nfs/dbraw/zinc/20/03/28/1325200328.db2.gz HVAXWOAKFBDMDU-KZNAEPCWSA-N 2 0 333.907 3.336 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CC2CC[NH+](Cc3ccccc3)CC2)C[C@@H]([NH3+])C1 ZINC000925564750 1325211713 /nfs/dbraw/zinc/21/17/13/1325211713.db2.gz LPBKMLBZEVPBGV-UXHICEINSA-N 3 0 329.532 3.394 10 0 EGAERP COc1ccc(C2(C[NH2+][C@@H]3CC[NH2+]C34CCCC4)CCOCC2)cc1 ZINC000925564059 1325212599 /nfs/dbraw/zinc/21/25/99/1325212599.db2.gz QQISIOZBPMLZOO-LJQANCHMSA-N 2 0 344.499 3.008 10 0 EGAERP Cc1ccn(-c2ccccc2C[NH2+][C@H]2CC[NH2+]C[C@H]2C2CCCC2)n1 ZINC000925617659 1325233575 /nfs/dbraw/zinc/23/35/75/1325233575.db2.gz DQESZCPLMMMQBB-PMACEKPBSA-N 2 0 338.499 3.439 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCc2ccc(OCC(F)(F)F)nc2)C[C@@H]([NH3+])C1 ZINC000925641902 1325243975 /nfs/dbraw/zinc/24/39/75/1325243975.db2.gz CVNPLNXZIJILER-KGLIPLIRSA-N 2 0 345.409 3.061 10 0 EGAERP CC1(C)C[C@@H]([NH3+])C[C@@H]([NH2+]C2CC(N3CCC(C(F)(F)F)CC3)C2)C1 ZINC000925661284 1325252797 /nfs/dbraw/zinc/25/27/97/1325252797.db2.gz CVKYCKVMCVIKHS-JWMHWRSXSA-N 2 0 347.469 3.287 10 0 EGAERP C[C@H](O)[C@](C)(C[NH2+][C@@H]1CC[NH2+]C[C@H]1C1CCCC1)Cc1ccccc1 ZINC000925659534 1325253729 /nfs/dbraw/zinc/25/37/29/1325253729.db2.gz WAHJYWNJGOJTKO-MVWVFHAYSA-N 2 0 344.543 3.374 10 0 EGAERP COCCOCc1ccc(C[NH2+][C@H]2CC[NH2+]C[C@@H]2C2CCCC2)cc1 ZINC000925675486 1325258483 /nfs/dbraw/zinc/25/84/83/1325258483.db2.gz HWKMRAGUPQHJHC-RTWAWAEBSA-N 2 0 346.515 3.108 10 0 EGAERP Fc1cc2[nH]cc(CC[NH2+][C@H]3[C@@H]4[NH2+]C[C@@H]5C[C@H]3C[C@@H]54)c2cc1Cl ZINC000925718281 1325268924 /nfs/dbraw/zinc/26/89/24/1325268924.db2.gz JVMLBGJHXPUMHQ-WRHMKCCWSA-N 2 0 333.838 3.089 10 0 EGAERP Nc1cc[nH+]c(CN[C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)c1 ZINC000925768735 1325292582 /nfs/dbraw/zinc/29/25/82/1325292582.db2.gz WMMHLJNBTLLKMN-PWRODBHTSA-N 2 0 336.483 3.197 10 0 EGAERP CC[C@H]([NH2+]Cc1ccc(CN2CC[NH2+]CC2)cc1)c1ccsc1 ZINC000925809152 1325311805 /nfs/dbraw/zinc/31/18/05/1325311805.db2.gz AEFKSXVNDGXVAE-IBGZPJMESA-N 2 0 329.513 3.394 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCCc3c(Cl)sc(Cl)c32)CC1 ZINC000925814667 1325314172 /nfs/dbraw/zinc/31/41/72/1325314172.db2.gz LAIQNJGITQHYGU-LBPRGKRZSA-N 2 0 348.343 3.445 10 0 EGAERP CCOC(=O)C1([C@@H](C)[NH2+][C@@H](C)c2ccc(F)cc2C)CC[NH2+]CC1 ZINC000925826741 1325318126 /nfs/dbraw/zinc/31/81/26/1325318126.db2.gz IUKFJPOTTFIYOL-LSDHHAIUSA-N 2 0 336.451 3.106 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@@H]([NH2+]C[C@]23CCC[C@H]2[NH2+]CC3)c2ccccc21 ZINC000925842046 1325324222 /nfs/dbraw/zinc/32/42/22/1325324222.db2.gz XBDOGQYRKAILHM-ANTGDGSKSA-N 2 0 342.483 3.290 10 0 EGAERP CCSc1ccccc1[C@@H](C)[NH2+]C[C@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925850045 1325329350 /nfs/dbraw/zinc/32/93/50/1325329350.db2.gz GTDPABUKEFPTOZ-HUUCEWRRSA-N 2 0 348.512 3.135 10 0 EGAERP CC1(C)CC[C@@H]([NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)c2ccccc21 ZINC000925850433 1325329361 /nfs/dbraw/zinc/32/93/61/1325329361.db2.gz OQECALZMECYLMY-MAUKXSAKSA-N 2 0 342.483 3.074 10 0 EGAERP CC(C)Cc1ccc([C@@H](C)[NH2+]C[C@@H]2CC3(CC[NH2+]CC3)C(=O)O2)cc1 ZINC000925855763 1325331772 /nfs/dbraw/zinc/33/17/72/1325331772.db2.gz QBNJIUAPOMSSQP-APWZRJJASA-N 2 0 344.499 3.221 10 0 EGAERP C[C@@H](CC(C)(C)c1ccccc1)[NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1 ZINC000925859636 1325333883 /nfs/dbraw/zinc/33/38/83/1325333883.db2.gz XHHYGGXQOVCJGI-WMZOPIPTSA-N 2 0 344.499 3.018 10 0 EGAERP C[C@H]([NH3+])C[C@H](C)[NH2+]Cc1c(-c2ccc(F)cc2)nc2ccc(F)cn21 ZINC000925874206 1325338267 /nfs/dbraw/zinc/33/82/67/1325338267.db2.gz PICZPNUFJZSLDI-STQMWFEESA-N 2 0 344.409 3.495 10 0 EGAERP C[C@@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1I ZINC000925877791 1325340046 /nfs/dbraw/zinc/34/00/46/1325340046.db2.gz XLHHMMAAXGECCA-UTUOFQBUSA-N 2 0 344.240 3.069 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1CC[C@H]([NH3+])C1)c1ccccc1I ZINC000925877790 1325339261 /nfs/dbraw/zinc/33/92/61/1325339261.db2.gz XLHHMMAAXGECCA-TUAOUCFPSA-N 2 0 344.240 3.069 10 0 EGAERP [NH3+]C[C@@]1(c2ccccc2)C[C@H]([NH2+][C@H](c2cncc(F)c2)C2CC2)C1 ZINC000925883347 1325342144 /nfs/dbraw/zinc/34/21/44/1325342144.db2.gz YEUSTEGLVVKDPW-SLFFLAALSA-N 2 0 325.431 3.321 10 0 EGAERP COc1ccc([C@H](C)[NH2+][C@H]2C[C@@](C[NH3+])(c3ccccc3)C2)c(OC)c1 ZINC000925888501 1325344237 /nfs/dbraw/zinc/34/42/37/1325344237.db2.gz UYWMWQUGBFWHKV-HZUJVAHNSA-N 2 0 340.467 3.414 10 0 EGAERP C[C@H]([NH2+][C@@H]1CCC[C@@H]2C[N@H+](Cc3ccccc3)C[C@@H]21)c1ccnnc1 ZINC000926135236 1325442758 /nfs/dbraw/zinc/44/27/58/1325442758.db2.gz BBOONMOTIFXFQG-NASSWSRMSA-N 2 0 336.483 3.428 10 0 EGAERP CC[C@H]([NH2+]CC1CC[NH+](C2CCOCC2)CC1)c1cccc(OC)n1 ZINC000926675105 1327661891 /nfs/dbraw/zinc/66/18/91/1327661891.db2.gz IICNWSSTNWOEOS-SFHVURJKSA-N 2 0 347.503 3.022 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@H]2[NH2+]CC2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000926731160 1327688553 /nfs/dbraw/zinc/68/85/53/1327688553.db2.gz GESRJIUXONHUNB-PZJWPPBQSA-N 2 0 344.547 3.151 10 0 EGAERP Cc1cc(C[C@@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000926731159 1327688562 /nfs/dbraw/zinc/68/85/62/1327688562.db2.gz GESRJIUXONHUNB-FPOVZHCZSA-N 2 0 344.547 3.151 10 0 EGAERP CC(=O)N[C@@H](c1ccccc1F)[C@@H](C)[NH2+]C1CCC(C)([NH+](C)C)CC1 ZINC000926794711 1327721083 /nfs/dbraw/zinc/72/10/83/1327721083.db2.gz BFCZWBQOKMFJCW-LUMXQQTQSA-N 2 0 349.494 3.244 10 0 EGAERP C[C@H]1[C@H](NC2C[C@H]3CCC[C@@H](C2)[NH+]3Cc2ccccc2)CC[N@@H+]1C ZINC000926893423 1327761251 /nfs/dbraw/zinc/76/12/51/1327761251.db2.gz QHPVQFGSIHMGCD-KXEVLKFVSA-N 2 0 327.516 3.254 10 0 EGAERP C[C@@H](N[C@H](CC[NH+](C)C)c1cccnc1)c1cccc(C[NH+](C)C)c1 ZINC000926902632 1327766451 /nfs/dbraw/zinc/76/64/51/1327766451.db2.gz ZUBIFRCPRBTOMF-DYESRHJHSA-N 2 0 340.515 3.487 10 0 EGAERP Cc1cc(CC[NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)nn1C ZINC000926909483 1327770581 /nfs/dbraw/zinc/77/05/81/1327770581.db2.gz FJDGWOSCYZLNHK-UHFFFAOYSA-N 2 0 340.515 3.304 10 0 EGAERP C[C@H]([NH2+][C@@H](C1CC1)[C@H]1CCCOC1)c1cccc(OCC[NH+](C)C)c1 ZINC000927067760 1327839212 /nfs/dbraw/zinc/83/92/12/1327839212.db2.gz FFHJLLNNOPCEHU-LRQRDZAKSA-N 2 0 346.515 3.483 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[N@@H+]1CCC[C@](O)(c2ccccc2)C1 ZINC000862483833 1329490804 /nfs/dbraw/zinc/49/08/04/1329490804.db2.gz ZGLPJMWHMXOREZ-OAQYLSRUSA-N 2 0 348.450 3.059 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)Nc2cccc(-c3nc(C)c(C)[nH]3)c2)CC[N@@H+]1C ZINC000864989271 1329659142 /nfs/dbraw/zinc/65/91/42/1329659142.db2.gz SZITVHCJBLJXBI-DLBZAZTESA-N 2 0 326.444 3.362 10 0 EGAERP Cn1cnc2cc(C[NH2+]CC3(c4ccccc4)CC[NH+](C)CC3)ccc21 ZINC000865774673 1329737219 /nfs/dbraw/zinc/73/72/19/1329737219.db2.gz ZLYPIBQZWKUWPV-UHFFFAOYSA-N 2 0 348.494 3.327 10 0 EGAERP Brc1ccc2c(c1)[C@@H]1[C@H](C2)[C@@H]1[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000865835467 1329743635 /nfs/dbraw/zinc/74/36/35/1329743635.db2.gz RGUBNTPBQZFXQD-XWJBARJFSA-N 2 0 347.300 3.304 10 0 EGAERP Cc1ccc2sc(N3C[C@@H](C[NH+](C)C)[C@H](C[NH+](C)C)C3)nc2c1C ZINC000866011333 1329758887 /nfs/dbraw/zinc/75/88/87/1329758887.db2.gz YZDGGYDUXPUSTE-HZPDHXFCSA-N 2 0 346.544 3.089 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccc(C[N@@H+]2CC[C@H](O)C2)cc1)c1ccccn1 ZINC000866388139 1330105322 /nfs/dbraw/zinc/10/53/22/1330105322.db2.gz BYEGXPDSUVASJN-PZJWPPBQSA-N 2 0 339.483 3.135 10 0 EGAERP C[C@H]([NH2+][C@@H]1[C@@H]2Cc3ccc(Br)cc3[C@@H]21)C1CC[NH+](C)CC1 ZINC000866611126 1330132540 /nfs/dbraw/zinc/13/25/40/1330132540.db2.gz QPEXXCDPKHGLAQ-HQKIHSOMSA-N 2 0 349.316 3.407 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@H]1CC[NH+](CC2CCC2)C1 ZINC001323642672 1387416010 /nfs/dbraw/zinc/41/60/10/1387416010.db2.gz NWPKSNCGJJPYPJ-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC1CC[NH+](C)CC1 ZINC001323694945 1387423236 /nfs/dbraw/zinc/42/32/36/1387423236.db2.gz AWCCITGRVBXFDT-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H](CC)[NH+](CC)CC)C2)C1 ZINC001323858201 1387477854 /nfs/dbraw/zinc/47/78/54/1387477854.db2.gz BOVUQVQBBIABOD-AZUAARDMSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001323860784 1387481823 /nfs/dbraw/zinc/48/18/23/1387481823.db2.gz VUOMCWIQHHUQNT-IRFCIJBXSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C[NH2+]CCC2CCCC2)C2CCCC2)C1 ZINC001324511228 1387657394 /nfs/dbraw/zinc/65/73/94/1387657394.db2.gz ZDZVLVSKYXRHHM-ICSRJNTNSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)[C@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C1CCCC1)[NH+]1CCCC1 ZINC001324517151 1387658266 /nfs/dbraw/zinc/65/82/66/1387658266.db2.gz DMGLSNHUCSEEGR-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N1CC[C@](C)(C[NH2+]CCC(C)(C)C)C1 ZINC001324741836 1387758848 /nfs/dbraw/zinc/75/88/48/1387758848.db2.gz OEEKCRPBOYFHLL-YLJYHZDGSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH+]1CCC[C@@](C)(CNC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001324935516 1387832185 /nfs/dbraw/zinc/83/21/85/1387832185.db2.gz FQIYGFIJLJPDMV-QUCCMNQESA-N 2 0 335.536 3.044 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C1 ZINC001324978423 1387869160 /nfs/dbraw/zinc/86/91/60/1387869160.db2.gz UIRXKHWCIVXBJV-NRFANRHFSA-N 2 0 345.531 3.054 10 0 EGAERP C[C@H](CCC(F)(F)F)[NH2+]Cc1ccccc1N1CC[NH+](C)CC1 ZINC001325302787 1387930606 /nfs/dbraw/zinc/93/06/06/1387930606.db2.gz JOUBYVRZHAPLKE-CQSZACIVSA-N 2 0 329.410 3.259 10 0 EGAERP CC(C)C[N@H+](C[C@@H](O)[C@@H](C)c1ccccc1)CC1CC[NH+](C)CC1 ZINC001197194291 1368762557 /nfs/dbraw/zinc/76/25/57/1368762557.db2.gz LDBWXUWQEMYDOJ-GHTZIAJQSA-N 2 0 332.532 3.451 10 0 EGAERP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)C2 ZINC001325629216 1388014566 /nfs/dbraw/zinc/01/45/66/1388014566.db2.gz JUVSRANFMGTUDA-AKHDSKFASA-N 2 0 335.536 3.019 10 0 EGAERP c1cc(C[NH2+]Cc2ccc(-c3cnco3)cc2)n(-c2cc[nH+]cc2)n1 ZINC001203943380 1370324437 /nfs/dbraw/zinc/32/44/37/1370324437.db2.gz CKZYPTXIEDPZKX-UHFFFAOYSA-N 2 0 331.379 3.212 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001325899776 1388071966 /nfs/dbraw/zinc/07/19/66/1388071966.db2.gz RAFWOLQGCWHZAZ-VAMGGRTRSA-N 2 0 349.563 3.362 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]2[C@@H]1CC[NH+]2CC1CCCCC1 ZINC001325919551 1388083102 /nfs/dbraw/zinc/08/31/02/1388083102.db2.gz UWACHNZWTSAXNM-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+]1CCC(C)CC1 ZINC001325918989 1388083468 /nfs/dbraw/zinc/08/34/68/1388083468.db2.gz FZYBYXNZBUZERZ-TZFVZSICSA-N 2 0 347.547 3.140 10 0 EGAERP CCc1cccc(CC)c1NC(=O)C[N@@H+]1CCCC2(CC[NH2+]CC2)C1 ZINC001118264260 1371154710 /nfs/dbraw/zinc/15/47/10/1371154710.db2.gz ZZHLNFMQSDTCEQ-UHFFFAOYSA-N 2 0 343.515 3.216 10 0 EGAERP CC(C)CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H]2CCC[N@@H+]2C)cc1 ZINC001326481554 1388209579 /nfs/dbraw/zinc/20/95/79/1388209579.db2.gz RKYJDPONXFYZBY-QFBILLFUSA-N 2 0 331.504 3.094 10 0 EGAERP CC[NH+](CC)CCN(CC(C)C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001125037296 1372748922 /nfs/dbraw/zinc/74/89/22/1372748922.db2.gz UWDJSSNTXDHGLR-IBGZPJMESA-N 2 0 343.531 3.025 10 0 EGAERP CCCC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001326559054 1388240028 /nfs/dbraw/zinc/24/00/28/1388240028.db2.gz RUBIQCHUFHUFIJ-VJANTYMQSA-N 2 0 335.536 3.068 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC2(C1)CC[NH+](CC1CCCCC1)CC2 ZINC001326603204 1388256737 /nfs/dbraw/zinc/25/67/37/1388256737.db2.gz HIHGKEWKTJTNRX-UHFFFAOYSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001326675716 1388279437 /nfs/dbraw/zinc/27/94/37/1388279437.db2.gz RFPZPPAQSYFDCV-UZLBHIALSA-N 2 0 345.531 3.047 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327129047 1388392868 /nfs/dbraw/zinc/39/28/68/1388392868.db2.gz FLLZXNUJZJTHQT-DKFQHHCZSA-N 2 0 335.536 3.188 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CCC[N@H+](CC2CCCCC2)CC1 ZINC001327164845 1388418251 /nfs/dbraw/zinc/41/82/51/1388418251.db2.gz XMJFILVQHLFNCS-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH+](C)CC1=CCCCC1 ZINC001327230520 1388456271 /nfs/dbraw/zinc/45/62/71/1388456271.db2.gz UPVLYKBFWSTVJU-HXUWFJFHSA-N 2 0 349.563 3.388 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)CC1CCCC1 ZINC001265136927 1377148675 /nfs/dbraw/zinc/14/86/75/1377148675.db2.gz KFXXCHWPUSSORU-RTBURBONSA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)CC1CCCC1 ZINC001265136925 1377149472 /nfs/dbraw/zinc/14/94/72/1377149472.db2.gz KFXXCHWPUSSORU-OALUTQOASA-N 2 0 335.536 3.022 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@@H](C[NH2+]CCCC2CCCC2)C1)[NH+](C)C ZINC001265630942 1377156631 /nfs/dbraw/zinc/15/66/31/1377156631.db2.gz SUGMKMXXNUIEIE-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@@H]([C@@H]2CCCN(C(=O)CCC[NH+](C)C)C2)C1 ZINC001327299270 1388490567 /nfs/dbraw/zinc/49/05/67/1388490567.db2.gz LYOANKPHEVSJAH-WOJBJXKFSA-N 2 0 349.563 3.245 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+][C@H]2C[C@@H](NC(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001266733688 1377369888 /nfs/dbraw/zinc/36/98/88/1377369888.db2.gz YRGQRZKNOYJVGH-LWYYNNOASA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C[NH+]2CCC(C)CC2)C1 ZINC001267089865 1377411801 /nfs/dbraw/zinc/41/18/01/1377411801.db2.gz GGMAJPWJPWOCMM-SBUVDCAVSA-N 2 0 349.563 3.482 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC2(CCC2)C1 ZINC001267171041 1377422218 /nfs/dbraw/zinc/42/22/18/1377422218.db2.gz CBDUKZUBQHMYOQ-RTBURBONSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001269085122 1377537856 /nfs/dbraw/zinc/53/78/56/1377537856.db2.gz RBFFGLFBCFMEEY-OALUTQOASA-N 2 0 349.563 3.027 10 0 EGAERP CCc1ccccc1[C@@H](CNC(=O)CC1CC[NH+](C)CC1)[NH2+]C(C)C ZINC001271445714 1377632084 /nfs/dbraw/zinc/63/20/84/1377632084.db2.gz IDHWEIJCHMOQLY-HXUWFJFHSA-N 2 0 345.531 3.136 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)CC[NH+]1CCCCC1 ZINC001271758777 1377649514 /nfs/dbraw/zinc/64/95/14/1377649514.db2.gz GTWKWTXGAYDFEP-OALUTQOASA-N 2 0 335.536 3.045 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C/C=C/CNC(=O)[C@@H](C(C)C)[NH+](C)C)c1 ZINC001274340967 1378123199 /nfs/dbraw/zinc/12/31/99/1378123199.db2.gz ZNUWQQKGTUNSCS-LAYSSIRVSA-N 2 0 345.531 3.213 10 0 EGAERP CCCc1ccc(C[N@H+](C)[C@@H](C)CNC(=O)[C@H]2CCCC[NH+]2C)cc1 ZINC001275866735 1378160296 /nfs/dbraw/zinc/16/02/96/1378160296.db2.gz XTGKZWKBKADGQG-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C[NH+](C)CCC)C[C@@]2(C)C1 ZINC001276912488 1378192977 /nfs/dbraw/zinc/19/29/77/1378192977.db2.gz HLJQSAFYWXLMTA-BGYRXZFFSA-N 2 0 337.552 3.079 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001277537519 1378233726 /nfs/dbraw/zinc/23/37/26/1378233726.db2.gz GGEYMTWZUZQBON-CTNGQTDRSA-N 2 0 349.563 3.223 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]C(C)C)c1ccc2ccccc2c1)[NH+](C)C ZINC001278205540 1378262619 /nfs/dbraw/zinc/26/26/19/1378262619.db2.gz AMCPQUWTBBNJPQ-WOJBJXKFSA-N 2 0 341.499 3.335 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N1CCC[C@@H]2[C@@H]1CC[N@@H+]2CC1CCC1 ZINC001279585440 1378314075 /nfs/dbraw/zinc/31/40/75/1378314075.db2.gz BLYQETHBEFUXEK-UXHICEINSA-N 2 0 347.547 3.118 10 0 EGAERP CC1CC(C[NH2+]C[C@H]2CC[C@H](NC(=O)CC[C@H]3CCC[N@@H+]3C)CC2)C1 ZINC001280367970 1378344442 /nfs/dbraw/zinc/34/44/42/1378344442.db2.gz XUOTXTMFSZYJPX-DRRJLQACSA-N 2 0 349.563 3.172 10 0 EGAERP CC[NH+]1CCC(CCCCCNC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001281055752 1378396470 /nfs/dbraw/zinc/39/64/70/1378396470.db2.gz MQAGMFQGOVOTOI-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@]2(CC[NH+](CCCC(C)(C)C)C2)C1 ZINC001327528894 1388550622 /nfs/dbraw/zinc/55/06/22/1388550622.db2.gz DNSYNLDZLAMKRV-WIYYLYMNSA-N 2 0 349.563 3.221 10 0 EGAERP CCCCCC[N@@H+]1C[C@H](NC(=O)C[NH+](C)CC(C)(C)C)C(C)(C)C1 ZINC001282822634 1378628396 /nfs/dbraw/zinc/62/83/96/1378628396.db2.gz SFYZRVJZSDYEAA-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1C[NH+]([C@@H](C)c2cccc(C)c2)CC1(C)C ZINC001282833420 1378634681 /nfs/dbraw/zinc/63/46/81/1378634681.db2.gz OCBGRTQAURCVKZ-HKUYNNGSSA-N 2 0 345.531 3.224 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N[C@@H]1CC[C@H]2C[NH+](C(C)C)C[C@@H]2C1 ZINC001282957673 1378684747 /nfs/dbraw/zinc/68/47/47/1378684747.db2.gz IGOGBXLYIXQAQM-GBESFXJTSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CCC[NH2+][C@@H](C)c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001283187012 1378756346 /nfs/dbraw/zinc/75/63/46/1378756346.db2.gz RXATTWSOEREYNC-SJORKVTESA-N 2 0 331.504 3.106 10 0 EGAERP C[C@H](CCC[NH2+][C@H](C)c1ccccc1)NC(=O)C1([NH+](C)C)CCC1 ZINC001283187010 1378756454 /nfs/dbraw/zinc/75/64/54/1378756454.db2.gz RXATTWSOEREYNC-IAGOWNOFSA-N 2 0 331.504 3.106 10 0 EGAERP CC[NH2+]CCCN(Cc1ccccc1)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001283349717 1378834739 /nfs/dbraw/zinc/83/47/39/1378834739.db2.gz BPBOWFIMGNAQPX-LJQANCHMSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001283677447 1379105733 /nfs/dbraw/zinc/10/57/33/1379105733.db2.gz KTQHLXACZWRAOW-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP CCCCCC[NH2+][C@@H](C)CN(C)C(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC001283678055 1379106823 /nfs/dbraw/zinc/10/68/23/1379106823.db2.gz LMCKPMFRGSWVHL-LPHOPBHVSA-N 2 0 343.531 3.216 10 0 EGAERP C[C@H]1[C@H]([NH2+]CCCCCF)CCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001283939502 1379288919 /nfs/dbraw/zinc/28/89/19/1379288919.db2.gz MNJPWPXQSDJKSD-QFBILLFUSA-N 2 0 349.494 3.081 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]Cc2ccc(C(C)(C)C)cc2)CN1C(=O)CC[NH+](C)C ZINC001284005902 1379357049 /nfs/dbraw/zinc/35/70/49/1379357049.db2.gz YJLJQAZPZXFAFY-APWZRJJASA-N 2 0 345.531 3.015 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001284014556 1379363081 /nfs/dbraw/zinc/36/30/81/1379363081.db2.gz BUYYOUHHCAEWHZ-UUSRSUCLSA-N 2 0 347.547 3.044 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@]2(NC(=O)C3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001284066231 1379422225 /nfs/dbraw/zinc/42/22/25/1379422225.db2.gz FUWDFMVCEZNRMS-HFYBBEMZSA-N 2 0 347.547 3.188 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@@H]12 ZINC001284067380 1379425654 /nfs/dbraw/zinc/42/56/54/1379425654.db2.gz LDWNRASYVAQUHC-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@@H]12 ZINC001284072468 1379437474 /nfs/dbraw/zinc/43/74/74/1379437474.db2.gz RPUUYKMMLRQUFJ-UYAOXDASSA-N 2 0 335.536 3.022 10 0 EGAERP Cc1cn(C(C)(C)C(=O)N2C[C@H]([NH2+]CCCC(C)(C)C)[C@@H](C)C2)cn1 ZINC001327881317 1388613647 /nfs/dbraw/zinc/61/36/47/1388613647.db2.gz NSJVLUXDGVSCQE-RDJZCZTQSA-N 2 0 348.535 3.189 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N1C[C@@H]([NH2+]CCC(C)(C)C)C(C)(C)C1 ZINC001284297480 1379685124 /nfs/dbraw/zinc/68/51/24/1379685124.db2.gz URLGYJUXLJDDOI-DLBZAZTESA-N 2 0 337.552 3.122 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H](NC(=O)[C@@H]1C[NH+]2CCC1CC2)C(C)(C)C ZINC001284589327 1379990193 /nfs/dbraw/zinc/99/01/93/1379990193.db2.gz IGNVYKHBPRTHBP-ZSQQTYLHSA-N 2 0 349.563 3.195 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C[NH2+]CCC2CCCC2)C(C)(C)C)C1 ZINC001284642685 1380049444 /nfs/dbraw/zinc/04/94/44/1380049444.db2.gz OPUJNGPSORKNMC-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP CC[N@@H+]1CCC[C@H](CN[C@@H](C)c2ncc(-c3ccccc3)n2C)C1 ZINC001328085374 1388666660 /nfs/dbraw/zinc/66/66/60/1388666660.db2.gz KWIHJBFYOTXRFE-DLBZAZTESA-N 2 0 326.488 3.470 10 0 EGAERP CC(C)C[C@@H](C[NH+]1CCCC1)NC(=O)c1ccc(C[NH+]2CCCC2)o1 ZINC001159978909 1381956568 /nfs/dbraw/zinc/95/65/68/1381956568.db2.gz BGWHUVJKMHZUKQ-KRWDZBQOSA-N 2 0 347.503 3.116 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001328577440 1388780017 /nfs/dbraw/zinc/78/00/17/1388780017.db2.gz GNDUIGYLRNMBTO-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CCCC(C)(C)C)C1 ZINC001328763404 1388847243 /nfs/dbraw/zinc/84/72/43/1388847243.db2.gz CQSNTPMQFHTCGU-ZWKOTPCHSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)[C@H]1C[C@@H](NC(=O)c2ccc(C[NH+]3CCCCC3)cc2)C1(C)C ZINC001299822555 1383630524 /nfs/dbraw/zinc/63/05/24/1383630524.db2.gz QOCNYSCNGUIOJH-MOPGFXCFSA-N 2 0 343.515 3.131 10 0 EGAERP CC[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@H](C)c1cccc(C)c1 ZINC001698610924 1406240756 /nfs/dbraw/zinc/24/07/56/1406240756.db2.gz XZZOKRDYTFKGKH-IEBWSBKVSA-N 2 0 345.531 3.415 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CC[NH+](C(C)(C)CC(C)(C)C)CC1 ZINC001306841506 1383909730 /nfs/dbraw/zinc/90/97/30/1383909730.db2.gz CBVKJPMBCZQWHM-QGZVFWFLSA-N 2 0 337.552 3.220 10 0 EGAERP CCCC[N@H+](C)CC1CC[NH+](C[C@H]2Cc3cc(OC)ccc3O2)CC1 ZINC001307421332 1383986611 /nfs/dbraw/zinc/98/66/11/1383986611.db2.gz SNIVHXJRMKWXEY-HXUWFJFHSA-N 2 0 346.515 3.443 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)C[C@H]1CC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001316603876 1384472332 /nfs/dbraw/zinc/47/23/32/1384472332.db2.gz CIQLDDOXNGLTOT-RTBURBONSA-N 2 0 345.531 3.239 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316610914 1384481049 /nfs/dbraw/zinc/48/10/49/1384481049.db2.gz MMMVJHWAZCIANY-YJJPMGAVSA-N 2 0 343.515 3.251 10 0 EGAERP Cc1ccc(C[NH2+][C@@H]2CC[C@H](CNC(=O)CCC[NH+](C)C)C2)cc1C ZINC001316658424 1384508685 /nfs/dbraw/zinc/50/86/85/1384508685.db2.gz XFWWWMIPQCKEMR-VQTJNVASSA-N 2 0 345.531 3.020 10 0 EGAERP CC[N@@H+]1CCC[C@@H]2[C@@H](NC(=O)C3(C[NH+](C)C)CCCCC3)C(C)(C)[C@@H]21 ZINC001316721137 1384541302 /nfs/dbraw/zinc/54/13/02/1384541302.db2.gz LUORLUNXJRRBPH-KZNAEPCWSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCCCCN(C(=O)CC[NH+](C)C)C1)c1cccc(F)c1 ZINC001316774919 1384573650 /nfs/dbraw/zinc/57/36/50/1384573650.db2.gz WCVZLSXDYYSGEX-APWZRJJASA-N 2 0 349.494 3.199 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCCC[C@H]([NH2+]CC2CCC3(CC3)CC2)C1 ZINC001316775062 1384573935 /nfs/dbraw/zinc/57/39/35/1384573935.db2.gz WONLRYFUSCILBT-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP C[N@H+](CCC1CCCCC1)C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[NH+]1C ZINC001316803480 1384591784 /nfs/dbraw/zinc/59/17/84/1384591784.db2.gz KQRYNBFVPDRYEJ-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316806110 1384597457 /nfs/dbraw/zinc/59/74/57/1384597457.db2.gz JBUIOLHDQFARSW-IBGZPJMESA-N 2 0 331.504 3.085 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)NCCC[NH+](C)CC2CCCCC2)C1 ZINC001316843364 1384632988 /nfs/dbraw/zinc/63/29/88/1384632988.db2.gz CHPFVJPAMORKDT-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP C[C@@H]([NH2+]CCCF)[C@@H]1CCCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001316878429 1384663114 /nfs/dbraw/zinc/66/31/14/1384663114.db2.gz HRORWWHIBSQNLB-APWZRJJASA-N 2 0 349.494 3.081 10 0 EGAERP Cc1cc(C[NH+]2CCC[C@@H](NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001316942990 1384713659 /nfs/dbraw/zinc/71/36/59/1384713659.db2.gz IFZXAQYHBSNTKC-MSOLQXFVSA-N 2 0 349.544 3.012 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCCC1)[C@H](C)[NH2+]Cc1ccc(F)cc1 ZINC001329041239 1388941799 /nfs/dbraw/zinc/94/17/99/1388941799.db2.gz ZPSZRPSPZRHHDC-JKSUJKDBSA-N 2 0 349.494 3.073 10 0 EGAERP CCCN(C(=O)[C@@H]1CCC[C@H]([NH+](C)C)C1)C1CC[NH+](C(C)C)CC1 ZINC001317006312 1384768412 /nfs/dbraw/zinc/76/84/12/1384768412.db2.gz RYUXZEDQXBCHLR-MJGOQNOKSA-N 2 0 337.552 3.218 10 0 EGAERP CCC[NH+]1CCC2(C[C@H]2NC(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001317008020 1384771985 /nfs/dbraw/zinc/77/19/85/1384771985.db2.gz UCIUJXQBXAAIJL-RTBURBONSA-N 2 0 343.515 3.060 10 0 EGAERP C[NH+](C)Cc1ccc(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)cc1 ZINC001317025617 1384792073 /nfs/dbraw/zinc/79/20/73/1384792073.db2.gz CSMRPTWIAIFJQR-LJQANCHMSA-N 2 0 345.531 3.282 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@@H]([NH2+]CC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001317033069 1384802168 /nfs/dbraw/zinc/80/21/68/1384802168.db2.gz FBMXWMUOJFDFQH-WOJBJXKFSA-N 2 0 347.547 3.092 10 0 EGAERP C[C@H]([NH2+][C@H]1C[C@@H](NC(=O)C[N@H+](C)C2CCC2)C1)c1ccccc1Cl ZINC001317113094 1384874150 /nfs/dbraw/zinc/87/41/50/1384874150.db2.gz LWYLKGLEPMHXPJ-SOUVJXGZSA-N 2 0 349.906 3.122 10 0 EGAERP CC(C)[N@H+](C)CC(=O)NC[C@@H]1CCCC[NH+]1CCC1CCCCC1 ZINC001317175794 1384947405 /nfs/dbraw/zinc/94/74/05/1384947405.db2.gz DDWKIBIKCOGBTF-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP O=C(N1CCCC[C@H]1C[NH2+]CCCC1CCCC1)C12CC[NH+](CC1)C2 ZINC001317192541 1384966639 /nfs/dbraw/zinc/96/66/39/1384966639.db2.gz FRMFEQWGEPJBAS-IBGZPJMESA-N 2 0 347.547 3.023 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001317192222 1384966693 /nfs/dbraw/zinc/96/66/93/1384966693.db2.gz CZYSMMQLKDUKTN-WYNBNGFRSA-N 2 0 335.536 3.045 10 0 EGAERP CCC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H](c1ccccc1)[N@H+](C)CC ZINC001317192903 1384967100 /nfs/dbraw/zinc/96/71/00/1384967100.db2.gz HSKTZBSNSIEYNG-OALUTQOASA-N 2 0 331.504 3.060 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CCCC(C)(C)C ZINC001317195365 1384969623 /nfs/dbraw/zinc/96/96/23/1384969623.db2.gz JNFSHKZWXRQGKI-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)C[N@H+](C)CC(C)(C)C)CC1 ZINC001317225471 1385004706 /nfs/dbraw/zinc/00/47/06/1385004706.db2.gz DPTUZLNKWWLDLS-KLAILNCOSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCC1=CCCCC1 ZINC001317243885 1385017175 /nfs/dbraw/zinc/01/71/75/1385017175.db2.gz YRXKZQWJKKDSGF-KRWDZBQOSA-N 2 0 335.536 3.236 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CNC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001317254377 1385024539 /nfs/dbraw/zinc/02/45/39/1385024539.db2.gz IWVSMOFWIXJSPQ-IEBWSBKVSA-N 2 0 345.531 3.279 10 0 EGAERP C[C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]C/C=C/c1ccccc1 ZINC001317271060 1385041287 /nfs/dbraw/zinc/04/12/87/1385041287.db2.gz KMJBHJHNTXWIOC-LIVJGKJPSA-N 2 0 343.515 3.059 10 0 EGAERP CC(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001317361506 1385104314 /nfs/dbraw/zinc/10/43/14/1385104314.db2.gz USWBAUUABRNZIJ-VQTJNVASSA-N 2 0 349.563 3.172 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[C@@H]([NH2+]CCC(C)(C)C)C1 ZINC001317362697 1385104912 /nfs/dbraw/zinc/10/49/12/1385104912.db2.gz HBFXFDAXJHNBKE-IAGOWNOFSA-N 2 0 325.541 3.172 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001317374150 1385106899 /nfs/dbraw/zinc/10/68/99/1385106899.db2.gz CHGYDFSBKQUXNL-GOSISDBHSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCCC[C@@H]1CCC[NH+]1CC1CC1 ZINC001317430955 1385135767 /nfs/dbraw/zinc/13/57/67/1385135767.db2.gz CSHGOUMTTWBQBG-MOPGFXCFSA-N 2 0 335.536 3.020 10 0 EGAERP C[N@H+](CCNC(=O)[C@@H]1CC[C@H]2CCCC[NH+]21)CCC1CCCCCC1 ZINC001317449110 1385149192 /nfs/dbraw/zinc/14/91/92/1385149192.db2.gz ISWMIMRQSKWPHV-UXHICEINSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H](C(C)C)[NH+]1CCCC1)CC1=CCCCC1 ZINC001317491819 1385192432 /nfs/dbraw/zinc/19/24/32/1385192432.db2.gz FOIWVDAQYVDHNB-LJQANCHMSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@H+](CCNC(=O)C[NH+](C)C(C)C)Cc1ccc(C(C)(C)C)cc1 ZINC001317493202 1385194540 /nfs/dbraw/zinc/19/45/40/1385194540.db2.gz VGDVDASRCPKRRF-UHFFFAOYSA-N 2 0 347.547 3.262 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCN(C)C(=O)[C@@H]2CCCC[N@H+]2C(C)C)c1 ZINC001317636924 1385367273 /nfs/dbraw/zinc/36/72/73/1385367273.db2.gz SSZJFEGJGHVTIZ-FQEVSTJZSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](C(=O)Nc1cccc(F)c1)[N@H+](C)CCCC[NH+]1CCCCC1 ZINC001175690146 1385375204 /nfs/dbraw/zinc/37/52/04/1385375204.db2.gz WAOIKAQBIODHEW-INIZCTEOSA-N 2 0 335.467 3.351 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N1CCC([C@@H](C)[NH2+]CC=C(C)C)CC1 ZINC001317681445 1385390585 /nfs/dbraw/zinc/39/05/85/1385390585.db2.gz IWBYJAPVLDECOZ-MJGOQNOKSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C1CCCC1)CC1CC1 ZINC001317687818 1385399833 /nfs/dbraw/zinc/39/98/33/1385399833.db2.gz AFFCUKQTEAOIDD-LJQANCHMSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NCC[C@H]2CC[NH+](CCC3CCCC3)C2)CC[N@@H+]1C ZINC001317796872 1385490444 /nfs/dbraw/zinc/49/04/44/1385490444.db2.gz HFFZADVBBADHQV-IHPCNDPISA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H](c1ccc(F)cc1)[N@H+](C)C[C@H]1CCN(C(=O)CC[NH+](C)C)C1 ZINC001317854532 1385538059 /nfs/dbraw/zinc/53/80/59/1385538059.db2.gz OYDHGJLDHYAZCB-VQIMIIECSA-N 2 0 349.494 3.009 10 0 EGAERP CC/C=C/CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317943495 1385578991 /nfs/dbraw/zinc/57/89/91/1385578991.db2.gz LUZOELIGZVOTKA-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH+]1CCC[C@@H](NC(=O)[C@@H]2CCC[N@@H+](CCC)C2)C1 ZINC001317943496 1385579252 /nfs/dbraw/zinc/57/92/52/1385579252.db2.gz LUZOELIGZVOTKA-CQQBRXBZSA-N 2 0 335.536 3.045 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)N[C@@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001317955562 1385586373 /nfs/dbraw/zinc/58/63/73/1385586373.db2.gz SRBLTQGSCRTQML-LJQANCHMSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1CC[N@H+](CCC2CCCC2)C1)[NH+]1CCCCC1 ZINC001318301325 1385645206 /nfs/dbraw/zinc/64/52/06/1385645206.db2.gz PNZOCGLBLUTSFI-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001318403418 1385674922 /nfs/dbraw/zinc/67/49/22/1385674922.db2.gz RPRRRRNOKCHKIN-MSOLQXFVSA-N 2 0 337.552 3.218 10 0 EGAERP CCN(C(=O)C1(C[NH+](C)C)CCCCC1)[C@@H]1CC[N@H+](CCC2CC2)C1 ZINC001318477275 1385713105 /nfs/dbraw/zinc/71/31/05/1385713105.db2.gz DBGYOWUPXQVXJD-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)[NH2+]C/C=C/c1ccccc1 ZINC001318524355 1385734179 /nfs/dbraw/zinc/73/41/79/1385734179.db2.gz LTSNPLCVSULWRY-AJAZOWGGSA-N 2 0 343.515 3.057 10 0 EGAERP CC[C@@H](CNC(=O)C1([NH+](C)C)CCC1)[NH2+][C@H](C)c1cc(C)ccc1C ZINC001318531570 1385740364 /nfs/dbraw/zinc/74/03/64/1385740364.db2.gz VDSOLMDLPAVBCY-MSOLQXFVSA-N 2 0 345.531 3.333 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC1(C[NH2+]Cc2ccsc2)CCCC1 ZINC001318672263 1385829686 /nfs/dbraw/zinc/82/96/86/1385829686.db2.gz WONXRJKNDIGKTC-IYBDPMFKSA-N 2 0 349.544 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC(CC[NH2+]CC2=CCCCC2)CC1 ZINC001318927658 1385884721 /nfs/dbraw/zinc/88/47/21/1385884721.db2.gz BMGOUJPSUMJRPM-UHFFFAOYSA-N 2 0 335.536 3.047 10 0 EGAERP CC[C@H](C(=O)N1CCC[C@@H]1C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001319124166 1385968031 /nfs/dbraw/zinc/96/80/31/1385968031.db2.gz FAJZAIWZYWHQLD-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250296 1386024940 /nfs/dbraw/zinc/02/49/40/1386024940.db2.gz KREQZIDWYLUHRW-AEFFLSMTSA-N 2 0 337.552 3.027 10 0 EGAERP CCCCC[NH+]1CC2(C1)CCN(C(=O)[C@H]1CCC[N@@H+]1CC(C)C)CC2 ZINC001319403758 1386105554 /nfs/dbraw/zinc/10/55/54/1386105554.db2.gz VCOOIOYMDGYFJS-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CC/C=C\CC[NH+]1CC2(C1)CCN(C(=O)C[NH+]1[C@H](C)CC[C@H]1C)CC2 ZINC001319410266 1386108884 /nfs/dbraw/zinc/10/88/84/1386108884.db2.gz BJEFGNNXGFFFTN-CQQBRXBZSA-N 2 0 347.547 3.140 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)c(C)c1 ZINC001319477375 1386139135 /nfs/dbraw/zinc/13/91/35/1386139135.db2.gz WTUYJCMREJYFKW-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N(C)[C@@H](C)C[NH2+]CCC2=CCCCC2)CC1 ZINC001319560132 1386178810 /nfs/dbraw/zinc/17/88/10/1386178810.db2.gz WARRQVWZLYIOGW-SFHVURJKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCCCC1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001319633098 1386220860 /nfs/dbraw/zinc/22/08/60/1386220860.db2.gz DPQBSDOVHYORPT-PKOBYXMFSA-N 2 0 337.552 3.029 10 0 EGAERP CCCC[NH2+][C@@H]1CCN(C(=O)c2sccc2C[NH+](C)C)C[C@@H]1C ZINC001319689465 1386253014 /nfs/dbraw/zinc/25/30/14/1386253014.db2.gz GGILCLLLGPKOLV-GOEBONIOSA-N 2 0 337.533 3.050 10 0 EGAERP CC(C)CC[NH2+]CC[C@H]1CCCCN1C(=O)C[NH+]1CCC(C)CC1 ZINC001319778988 1386293008 /nfs/dbraw/zinc/29/30/08/1386293008.db2.gz BIIZFLXLTJVLGQ-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]Cc1ccccc1F)[NH+](C)C ZINC001319788450 1386296354 /nfs/dbraw/zinc/29/63/54/1386296354.db2.gz NSFDWRKDHQZLAS-PKOBYXMFSA-N 2 0 349.494 3.027 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@@H]2CC[NH2+]CCCC(C)(C)C)C1 ZINC001319789756 1386297588 /nfs/dbraw/zinc/29/75/88/1386297588.db2.gz BHXADRDHCZTEBF-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCCN(C(=O)C2([NH+](C)C)CCC2)C1 ZINC001319809422 1386307694 /nfs/dbraw/zinc/30/76/94/1386307694.db2.gz NHJMWNGPXDPFOX-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)[N@H+](C)CC1CC[NH+](CN2CC[C@H](c3ccccc3)C2=O)CC1 ZINC001319882160 1386358469 /nfs/dbraw/zinc/35/84/69/1386358469.db2.gz RCGCQXAHVFSDGO-HXUWFJFHSA-N 2 0 343.515 3.012 10 0 EGAERP CC(C)[C@@H](CNC(=O)C[N@H+](C)CC(C)(C)C)[NH2+]CC1=CCCCC1 ZINC001319942492 1386405085 /nfs/dbraw/zinc/40/50/85/1386405085.db2.gz BOMXIJKCZWRTJN-GOSISDBHSA-N 2 0 337.552 3.195 10 0 EGAERP CCc1ccc(C[NH2+]CC[C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C(C)C)cc1 ZINC001320414262 1386603388 /nfs/dbraw/zinc/60/33/88/1386603388.db2.gz DBTZMANQLBSLNI-XLIONFOSSA-N 2 0 345.531 3.106 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1CCCCCC1)[C@@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001321287062 1386866544 /nfs/dbraw/zinc/86/65/44/1386866544.db2.gz RKUODCWYFKLDED-XHHZUUQWSA-N 2 0 347.547 3.236 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H](CC[NH2+]CCC2CCCCC2)C1 ZINC001698678737 1406325971 /nfs/dbraw/zinc/32/59/71/1406325971.db2.gz CUVBYQCBQAMHQU-IBGZPJMESA-N 2 0 337.552 3.127 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCCCC1)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001322257798 1387124521 /nfs/dbraw/zinc/12/45/21/1387124521.db2.gz ICHCNHRRODDIER-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C)C[N@H+](C)Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001322280954 1387137191 /nfs/dbraw/zinc/13/71/91/1387137191.db2.gz LLGHPAXAPYJTLG-OXQOHEQNSA-N 2 0 345.531 3.087 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CCC[NH2+][C@@H](C)c2cccc(F)c2)CC[N@@H+]1C ZINC001322516530 1387199475 /nfs/dbraw/zinc/19/94/75/1387199475.db2.gz HKJVJXREVGIVLL-ZYSHUDEJSA-N 2 0 349.494 3.055 10 0 EGAERP Cc1cc(C)c(C[NH2+]CCCN(C)C(=O)[C@H](C(C)C)[NH+](C)C)c(C)c1 ZINC001322795609 1387238886 /nfs/dbraw/zinc/23/88/86/1387238886.db2.gz GMTHDOXKCZJWQU-FQEVSTJZSA-N 2 0 347.547 3.136 10 0 EGAERP C[NH+](C)CCC(=O)N[C@H]1CC[C@H]([NH2+]CC/C=C/c2ccccc2)CC1 ZINC001698712407 1406354733 /nfs/dbraw/zinc/35/47/33/1406354733.db2.gz YQJGWYXMLGMXOX-RJBLSKMOSA-N 2 0 343.515 3.059 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001329459296 1389117491 /nfs/dbraw/zinc/11/74/91/1389117491.db2.gz ICVHGWFJVZMXPH-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCCC1 ZINC001329460234 1389118183 /nfs/dbraw/zinc/11/81/83/1389118183.db2.gz PKLAOIDBDVMVON-MJGOQNOKSA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[C@H](C[NH2+]Cc1cccc(F)c1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001329886646 1389245944 /nfs/dbraw/zinc/24/59/44/1389245944.db2.gz FMDAJATZWCKSHT-MOPGFXCFSA-N 2 0 349.494 3.075 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CCCCC[N@@H+]1CC1=CCCCC1)[NH+](C)C ZINC001329935937 1389264742 /nfs/dbraw/zinc/26/47/42/1389264742.db2.gz IIMNMMKQYLWMDH-RTBURBONSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CC[C@H]2C[NH+](CC3CCCC3)C[C@@H]2C1 ZINC001330468093 1389423132 /nfs/dbraw/zinc/42/31/32/1389423132.db2.gz OOXQMMZSHQULNQ-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H](c1ccccc1)[NH+]1CCC(CCNC(=O)C[NH+]2CCCC2)CC1 ZINC001698726781 1406377508 /nfs/dbraw/zinc/37/75/08/1406377508.db2.gz FMNGUXJEYQZZNK-SFHVURJKSA-N 2 0 343.515 3.062 10 0 EGAERP CCCCCC[N@@H+]1C[C@@]2(C)CN(C(=O)C3CC[NH+](C)CC3)C[C@@]2(C)C1 ZINC001330527956 1389445550 /nfs/dbraw/zinc/44/55/50/1389445550.db2.gz CTYFVDHVLOBXDZ-OYRHEFFESA-N 2 0 349.563 3.079 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@H](CCNC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC001331188487 1389647180 /nfs/dbraw/zinc/64/71/80/1389647180.db2.gz KDUJKFPSZVVWBF-WOJBJXKFSA-N 2 0 345.531 3.018 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]Cc1ccc(C)cc1C ZINC001331457933 1389756621 /nfs/dbraw/zinc/75/66/21/1389756621.db2.gz IGMQSWMIFDZYNL-UYAOXDASSA-N 2 0 345.531 3.114 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CCC(C)(C)C ZINC001331470744 1389761874 /nfs/dbraw/zinc/76/18/74/1389761874.db2.gz RIPUDZKLEJVUHJ-WMZOPIPTSA-N 2 0 337.552 3.266 10 0 EGAERP CCCN(CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)C(=O)OC(C)(C)C ZINC001331505456 1389774667 /nfs/dbraw/zinc/77/46/67/1389774667.db2.gz UWEAYYXNLBNIDM-OAHLLOKOSA-N 2 0 327.513 3.096 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]CCC1=CCCCC1 ZINC001698748714 1406399407 /nfs/dbraw/zinc/39/94/07/1406399407.db2.gz PALFMNDWTAUXPK-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)[C@H](C(=O)N(C)C[C@H](C)[NH2+]Cc1ccc(C2CC2)cc1)[NH+](C)C ZINC001331549276 1389795790 /nfs/dbraw/zinc/79/57/90/1389795790.db2.gz WPFVELBWKSEWJZ-OXJNMPFZSA-N 2 0 345.531 3.087 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)NC[C@@H](C)C[NH2+]CCCC(C)(C)C ZINC001698750471 1406401443 /nfs/dbraw/zinc/40/14/43/1406401443.db2.gz YFNBHQDGMCDBHG-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP c1ccc(OCCCC[NH+]2CCC([NH2+]C3CCOCC3)CC2)cc1 ZINC001332025494 1389950069 /nfs/dbraw/zinc/95/00/69/1389950069.db2.gz PWJNENHJOMCLHY-UHFFFAOYSA-N 2 0 332.488 3.079 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CCC(C)CC3)CCC[C@H]12 ZINC001332109311 1389987765 /nfs/dbraw/zinc/98/77/65/1389987765.db2.gz FYLSXBWLFZZJQQ-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)[C@H]1C ZINC001332183693 1390026458 /nfs/dbraw/zinc/02/64/58/1390026458.db2.gz FEUYHZDIQUXLKW-APWZRJJASA-N 2 0 342.487 3.416 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001332206559 1390042693 /nfs/dbraw/zinc/04/26/93/1390042693.db2.gz OOVCGAOHLJVVHZ-GNBGVQPESA-N 2 0 337.552 3.290 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001332263959 1390069016 /nfs/dbraw/zinc/06/90/16/1390069016.db2.gz WAJXPZUVFKZQDL-ZWKOTPCHSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C[NH2+]CCC1CCCCC1 ZINC001698763329 1406419022 /nfs/dbraw/zinc/41/90/22/1406419022.db2.gz YETBFZGEGYHSIR-AOIWGVFYSA-N 2 0 337.552 3.029 10 0 EGAERP CCCCC[NH2+][C@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CCCC2)CC1(C)C ZINC001332386364 1390102395 /nfs/dbraw/zinc/10/23/95/1390102395.db2.gz DVYBASISZOGUQE-OALUTQOASA-N 2 0 349.563 3.410 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCN(C(=O)C[NH+](C)C(C)C)C(C)C ZINC001332741495 1390177916 /nfs/dbraw/zinc/17/79/16/1390177916.db2.gz YZIJTSOLVVYBNY-UHFFFAOYSA-N 2 0 333.520 3.004 10 0 EGAERP CCCCCC[NH+]1CCC([C@H](C)NC(=O)C2([NH+](C)C)CCC2)CC1 ZINC001332991814 1390231838 /nfs/dbraw/zinc/23/18/38/1390231838.db2.gz KGRMMFDTUYJHAH-KRWDZBQOSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1cccc(NC[C@@H]2CCC[N@@H+]2C[C@@H]2CC[C@@H](C(F)(F)F)O2)n1 ZINC001333138113 1390254610 /nfs/dbraw/zinc/25/46/10/1390254610.db2.gz LDRIGRKIVGPZCN-KKUMJFAQSA-N 2 0 343.393 3.376 10 0 EGAERP CC(C)(C)CCC[N@H+]1CC=C(CNC(=O)CCCn2ccnc2)CC1 ZINC001333457695 1390308190 /nfs/dbraw/zinc/30/81/90/1390308190.db2.gz LCFCFRDOMJRBMV-UHFFFAOYSA-N 2 0 346.519 3.238 10 0 EGAERP c1ccc(CC[NH+]2CCC([NH2+]C[C@]34C[C@H]3COC43CCC3)CC2)cc1 ZINC001334347911 1390521490 /nfs/dbraw/zinc/52/14/90/1390521490.db2.gz WLPRFCPZBDMFRD-PZJWPPBQSA-N 2 0 340.511 3.242 10 0 EGAERP FC12C[C@@H]3C[C@H](C1)CC([NH2+]Cc1ccnn1-c1cc[nH+]cc1)(C3)C2 ZINC001350898464 1391553276 /nfs/dbraw/zinc/55/32/76/1391553276.db2.gz FWCPAVIPBXXHPO-MYMYQCDVSA-N 2 0 326.419 3.418 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)c1sccc1C[NH+](C)C ZINC001698825198 1406517484 /nfs/dbraw/zinc/51/74/84/1406517484.db2.gz PZKAXAOUZDKPCD-HNNXBMFYSA-N 2 0 349.544 3.360 10 0 EGAERP Brc1cnc2c(c1)[C@H]([NH2+]CCC[NH+]1CCCC1)CCC2 ZINC001354206217 1392127318 /nfs/dbraw/zinc/12/73/18/1392127318.db2.gz WOUKFSABIVHNNQ-OAHLLOKOSA-N 2 0 338.293 3.297 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001698845568 1406546502 /nfs/dbraw/zinc/54/65/02/1406546502.db2.gz LEKJTCLWNXWTPL-QZTJIDSGSA-N 2 0 345.531 3.088 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CC[C@@H]([NH2+]CC2CCCC2)C1 ZINC001479496624 1392257268 /nfs/dbraw/zinc/25/72/68/1392257268.db2.gz ZPIWMMNEXWOTTE-VQTJNVASSA-N 2 0 349.563 3.317 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[C@H]2CCC[NH+]2C)CC[N@@H+]1CCCC(C)C ZINC001479637365 1392300139 /nfs/dbraw/zinc/30/01/39/1392300139.db2.gz OTFYHHZTFBKMNA-CEXWTWQISA-N 2 0 337.552 3.266 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1C[NH+](C)[C@H](C)c1ccccc1 ZINC001479739448 1392352850 /nfs/dbraw/zinc/35/28/50/1392352850.db2.gz XVYWEGZDNGSQBY-QUCCMNQESA-N 2 0 345.531 3.402 10 0 EGAERP Cc1ccccc1[C@@H](C)[N@H+](C)CCCNC(=O)CC[C@@H]1CCC[NH+]1C ZINC001479777073 1392382638 /nfs/dbraw/zinc/38/26/38/1392382638.db2.gz ZWEYXAJEWILTRL-MOPGFXCFSA-N 2 0 345.531 3.369 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCC[NH+]2C2CCCC2)C1 ZINC001479905266 1392472944 /nfs/dbraw/zinc/47/29/44/1392472944.db2.gz YWYLMIMVVRVPJH-QUCCMNQESA-N 2 0 349.563 3.410 10 0 EGAERP C[N@H+](CCC1CCCC1)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001480080122 1392569694 /nfs/dbraw/zinc/56/96/94/1392569694.db2.gz TYLNOUNBTLAUNZ-PMACEKPBSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H]1C[C@H]([NH2+][C@@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001480174123 1392608854 /nfs/dbraw/zinc/60/88/54/1392608854.db2.gz RUDYDCYMIGWSPI-FRYIKTPZSA-N 2 0 343.515 3.105 10 0 EGAERP CC(C)(C(=O)NC[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001480256536 1392641225 /nfs/dbraw/zinc/64/12/25/1392641225.db2.gz DCWUDGALHKQGKI-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N1CCCC[C@H]1C[NH2+]CCC1CCCC1 ZINC001480368214 1392710520 /nfs/dbraw/zinc/71/05/20/1392710520.db2.gz UIEOUYUONMLAAP-FQEVSTJZSA-N 2 0 349.563 3.413 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H](C)CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001480525783 1392778861 /nfs/dbraw/zinc/77/88/61/1392778861.db2.gz MBYJGPXUBXXLDL-ZWOKBUDYSA-N 2 0 345.531 3.135 10 0 EGAERP C[C@H](C(=O)N1CC[C@@H](C[NH2+]CCCC2CCC2)C1)[NH+]1CCCCCC1 ZINC001480667449 1392843855 /nfs/dbraw/zinc/84/38/55/1392843855.db2.gz HYGADAYRWQQRRL-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC001698872978 1406593892 /nfs/dbraw/zinc/59/38/92/1406593892.db2.gz HCVJECPCJOMANP-HKUYNNGSSA-N 2 0 349.563 3.029 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@H]2CCC[C@@H]([NH2+]CCC3CCCCC3)C2)CCC1 ZINC001480700929 1392864698 /nfs/dbraw/zinc/86/46/98/1392864698.db2.gz ZIDCIFSZJWCPHX-MOPGFXCFSA-N 2 0 349.563 3.458 10 0 EGAERP Cc1cccc(C)c1C[NH2+][C@@H]1CCC[C@@H](NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001480710509 1392872615 /nfs/dbraw/zinc/87/26/15/1392872615.db2.gz RALNPMQMLZVJQS-RTBURBONSA-N 2 0 345.531 3.161 10 0 EGAERP Cc1cccc(C[NH2+][C@H](C)CCNC(=O)[C@H]2CCCC[N@@H+]2C(C)C)c1 ZINC001480794052 1392937799 /nfs/dbraw/zinc/93/77/99/1392937799.db2.gz VARBYONTRKPREB-UYAOXDASSA-N 2 0 345.531 3.242 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[N@H+](C)CC1CCCCCC1)[NH+]1CCCC1 ZINC001480951442 1393043524 /nfs/dbraw/zinc/04/35/24/1393043524.db2.gz BCRGDAKHIQXRLN-IBGZPJMESA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](CC)CCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1 ZINC001480995984 1393075642 /nfs/dbraw/zinc/07/56/42/1393075642.db2.gz IVVAVPQOVFMPSH-IHPCNDPISA-N 2 0 345.531 3.306 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH2+]CCC1CCCCC1 ZINC001481287204 1393158679 /nfs/dbraw/zinc/15/86/79/1393158679.db2.gz GDXDDRGBGITBBR-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CC[C@H](C(=O)N1CCC([C@H](C)[NH2+]C/C=C/Cl)CC1)[NH+](CC)CC ZINC001481339964 1393167784 /nfs/dbraw/zinc/16/77/84/1393167784.db2.gz GILDJELRVPVRLB-QTVNVXQXSA-N 2 0 343.943 3.076 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC([C@H](C)[NH2+]CCCC(C)(C)C)CC1 ZINC001481343524 1393168779 /nfs/dbraw/zinc/16/87/79/1393168779.db2.gz OWCBMOYQHANCLB-KRWDZBQOSA-N 2 0 339.568 3.370 10 0 EGAERP CC/C=C/CC[NH2+]CC[C@H]1CCCCN1C(=O)CC1CC[NH+](C)CC1 ZINC001698918969 1406653587 /nfs/dbraw/zinc/65/35/87/1406653587.db2.gz ZCWCJUKVBFZOAW-DPZZJQGRSA-N 2 0 349.563 3.435 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@H]([C@H](C)[NH2+]CC2CCCC2)C1 ZINC001698938951 1406678919 /nfs/dbraw/zinc/67/89/19/1406678919.db2.gz OMODKCWKDQULQL-HKUYNNGSSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC[C@@H]([NH2+]CCC(C)(C)C)c2ccccc2)C1 ZINC001481372607 1394214061 /nfs/dbraw/zinc/21/40/61/1394214061.db2.gz OUGNIUKNUKPFJQ-PKOBYXMFSA-N 2 0 345.531 3.212 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1C[C@H]2CC[C@@H](C1)[NH+]2C[C@H](C)CC(C)C ZINC001481389885 1394230295 /nfs/dbraw/zinc/23/02/95/1394230295.db2.gz FRZGZSGOOLMTQH-YSTOQKLRSA-N 2 0 349.563 3.218 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)NC[C@@H]([NH2+]CCC(C)(C)C)C2CC2)c1 ZINC001490742969 1394313925 /nfs/dbraw/zinc/31/39/25/1394313925.db2.gz XUYBGUFOTQRKKE-LJQANCHMSA-N 2 0 345.531 3.282 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001490837457 1394359317 /nfs/dbraw/zinc/35/93/17/1394359317.db2.gz BOVJTKXAUVFUCP-KAGICYHLSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)=CC[N@@H+](C)CC1CCN(C(=O)[C@@H]2CC[C@@H]3CCCC[NH+]32)CC1 ZINC001481516240 1394364474 /nfs/dbraw/zinc/36/44/74/1394364474.db2.gz RVOHFLVBYJSFKR-PMACEKPBSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCC[NH+]2C2CCCC2)C1 ZINC001481534994 1394393014 /nfs/dbraw/zinc/39/30/14/1394393014.db2.gz WVNUMYDRCVGEFY-PKOBYXMFSA-N 2 0 335.536 3.164 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCC[NH+]2CC)C1 ZINC001481539532 1394402798 /nfs/dbraw/zinc/40/27/98/1394402798.db2.gz VVNATXPOBRENGV-OXUXSNCKSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@H](C[NH2+]CCC3=CCCCC3)C2)C1 ZINC001491174262 1394458886 /nfs/dbraw/zinc/45/88/86/1394458886.db2.gz XISLJZVNEIYCKU-AZUAARDMSA-N 2 0 347.547 3.047 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C[NH2+]CCCC2CCCC2)C1 ZINC001491190268 1394464398 /nfs/dbraw/zinc/46/43/98/1394464398.db2.gz JVWIHUGAVVBAML-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CCCC[C@H]1CNC(=O)[C@H]1CCCC[NH+]1CC ZINC001491236392 1394489301 /nfs/dbraw/zinc/48/93/01/1394489301.db2.gz KYKLFZKMSUSHEW-RBUKOAKNSA-N 2 0 337.552 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC[NH+]1CCCCC1 ZINC001491237162 1394490011 /nfs/dbraw/zinc/49/00/11/1394490011.db2.gz QVRBNZYUTOSVPN-ZRHASKPBSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@H](c1ccc(F)cc1)[N@@H+]1CC[C@H](N(C)C(=O)CCCC[NH+](C)C)C1 ZINC001481746220 1394491600 /nfs/dbraw/zinc/49/16/00/1394491600.db2.gz CFJFTFYBEWVKDQ-APWZRJJASA-N 2 0 349.494 3.151 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC2CCC2)C1)[NH+]1CCCC1 ZINC001481753324 1394497362 /nfs/dbraw/zinc/49/73/62/1394497362.db2.gz SJIQYVRHZWXQCB-PMACEKPBSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(C)c1 ZINC001481854082 1394560444 /nfs/dbraw/zinc/56/04/44/1394560444.db2.gz ASFCBURWKASUDQ-VQTJNVASSA-N 2 0 345.531 3.242 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)[NH2+]Cc1ccccc1C ZINC001481855288 1394561177 /nfs/dbraw/zinc/56/11/77/1394561177.db2.gz KNVUZQAMRLSUCS-QUCCMNQESA-N 2 0 345.531 3.244 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCC1 ZINC001481910554 1394591819 /nfs/dbraw/zinc/59/18/19/1394591819.db2.gz QWMQMIVVDBLDKG-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)CC[NH2+]C1(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)CCCC1 ZINC001482238215 1394834250 /nfs/dbraw/zinc/83/42/50/1394834250.db2.gz KBZTYZYZLKHYST-GOSISDBHSA-N 2 0 337.552 3.172 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C)C1 ZINC001482322604 1394893743 /nfs/dbraw/zinc/89/37/43/1394893743.db2.gz BSPNHBLTGGRKHR-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)[C@@H](C)C[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCC1 ZINC001482370417 1394932902 /nfs/dbraw/zinc/93/29/02/1394932902.db2.gz WQXZDQFYMUQHQT-HKUYNNGSSA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1C ZINC001482430417 1394990724 /nfs/dbraw/zinc/99/07/24/1394990724.db2.gz AHFDUFXYSBRPFF-FXAWDEMLSA-N 2 0 343.515 3.155 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCC2=CCCCC2)[C@@H](C)C1 ZINC001482431315 1394991553 /nfs/dbraw/zinc/99/15/53/1394991553.db2.gz AYDOWNBHOMBDRM-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1CN(C(=O)CCC[NH+]2CCCC2)CC[C@@H]1[NH2+]CCCC1CCC1 ZINC001482436631 1394997807 /nfs/dbraw/zinc/99/78/07/1394997807.db2.gz KXTKGWDYSBSQOE-QUCCMNQESA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](C)[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001482501630 1395054126 /nfs/dbraw/zinc/05/41/26/1395054126.db2.gz RGVUZKKYUUZEQR-ICSRJNTNSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](CNC(=O)[C@H]1C[NH+]2CCC1CC2)[NH2+]CC1CCCCCC1 ZINC001482533607 1395074849 /nfs/dbraw/zinc/07/48/49/1395074849.db2.gz ZCHFPJGSGRIGFU-VQTJNVASSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)NC[C@@H]([NH2+]Cc1ccccc1)C(C)C ZINC001482540438 1395079323 /nfs/dbraw/zinc/07/93/23/1395079323.db2.gz RECBMFVKZVAICS-WOJBJXKFSA-N 2 0 345.531 3.037 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2CC1CCCCC1 ZINC001484021962 1395194092 /nfs/dbraw/zinc/19/40/92/1395194092.db2.gz JLYJNDFVMOXXQG-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CCC/C=C\CC[NH+]1CCC(C)(CNC(=O)C[N@@H+]2CC[C@H](C)C2)CC1 ZINC001484142253 1395278592 /nfs/dbraw/zinc/27/85/92/1395278592.db2.gz WLYZRYKLVKILQO-RURPWVQCSA-N 2 0 349.563 3.293 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CCC(C)(C)CC1 ZINC001484463940 1395398703 /nfs/dbraw/zinc/39/87/03/1395398703.db2.gz LDWRJGJHYOONJV-RBUKOAKNSA-N 2 0 349.563 3.220 10 0 EGAERP CCC(CC)C[NH2+]C1(CC)CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001484811834 1395547479 /nfs/dbraw/zinc/54/74/79/1395547479.db2.gz AEITWTIAFFDRCL-SJLPKXTDSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC[NH+](C)CC)C2 ZINC001484832821 1395570007 /nfs/dbraw/zinc/57/00/07/1395570007.db2.gz WDTFJHORXDVGMY-GIWCCYDRSA-N 2 0 349.563 3.389 10 0 EGAERP CCCCC[N@@H+]1Cc2ccc(CNC(=O)C[NH+](C)C(C)C)cc2C1 ZINC001484875989 1395579989 /nfs/dbraw/zinc/57/99/89/1395579989.db2.gz LYHRRMQHBKUKKU-UHFFFAOYSA-N 2 0 331.504 3.149 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C[C@@H]1C ZINC001484975850 1395615396 /nfs/dbraw/zinc/61/53/96/1395615396.db2.gz JNPHFHNYWDJJJN-ROUUACIJSA-N 2 0 337.552 3.266 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCCC2)C1 ZINC001485095956 1395657857 /nfs/dbraw/zinc/65/78/57/1395657857.db2.gz KDECMVKGXYXUBN-MHJFOBGBSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CC(C[NH2+]CCC2CCCCCC2)C1 ZINC001485095957 1395657977 /nfs/dbraw/zinc/65/79/77/1395657977.db2.gz KDECMVKGXYXUBN-SOAGJPPSSA-N 2 0 349.563 3.316 10 0 EGAERP C[C@H](NC(=O)c1cccc(C[NH+](C)C)c1)[C@H](C)[NH2+]CC1CCCC1 ZINC001485230099 1395724571 /nfs/dbraw/zinc/72/45/71/1395724571.db2.gz PXBPOKZOUIOGCV-HOTGVXAUSA-N 2 0 331.504 3.035 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001485240530 1395733583 /nfs/dbraw/zinc/73/35/83/1395733583.db2.gz FYOBRVWUTBUOKG-LWKOZHHOSA-N 2 0 335.536 3.044 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)CCC1CCCCC1 ZINC001485336788 1395808454 /nfs/dbraw/zinc/80/84/54/1395808454.db2.gz OPGZOZJUBKPRPC-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP CCC(CC)C[N@H+](C)[C@@H](C)CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001485356233 1395830588 /nfs/dbraw/zinc/83/05/88/1395830588.db2.gz AZMNBDVWDRGCHW-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CCCC1 ZINC001485480215 1395961819 /nfs/dbraw/zinc/96/18/19/1395961819.db2.gz RIPFEQGCYMCRAM-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC001485482432 1395966664 /nfs/dbraw/zinc/96/66/64/1395966664.db2.gz LPQSCCVQSIJNHQ-PKVWGGKHSA-N 2 0 346.519 3.305 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N[C@H](C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001485723113 1396118385 /nfs/dbraw/zinc/11/83/85/1396118385.db2.gz XODANTSKXFOWOU-IEBWSBKVSA-N 2 0 349.563 3.314 10 0 EGAERP C[C@H](CCC[NH2+]CC1CC1)NC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001485736772 1396123502 /nfs/dbraw/zinc/12/35/02/1396123502.db2.gz QACMNWYLSNLIEN-VQIMIIECSA-N 2 0 335.536 3.068 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC001485737841 1396125203 /nfs/dbraw/zinc/12/52/03/1396125203.db2.gz XVHAYQUBTFLRGC-MJGOQNOKSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001485871706 1396160385 /nfs/dbraw/zinc/16/03/85/1396160385.db2.gz DCEMFKXNYPYQJL-MJGOQNOKSA-N 2 0 337.552 3.266 10 0 EGAERP CN(CC[N@H+](C)CC1CCCC1)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001699001074 1406810908 /nfs/dbraw/zinc/81/09/08/1406810908.db2.gz IAMIAYMFWVHXJG-IBGZPJMESA-N 2 0 349.563 3.221 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCC[NH+]2CCCC2)CC[N@@H+]1CC1=CCCCC1 ZINC001503024513 1396241479 /nfs/dbraw/zinc/24/14/79/1396241479.db2.gz YWRMHRKERMXHKY-AZUAARDMSA-N 2 0 347.547 3.332 10 0 EGAERP CN(CC[N@H+](C)CCCC(C)(C)C)C(=O)[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC001699001514 1406812961 /nfs/dbraw/zinc/81/29/61/1406812961.db2.gz XNTWTSWYDLJIGA-QZTJIDSGSA-N 2 0 339.568 3.323 10 0 EGAERP CCCCCC[N@H+](C)[C@@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001491965609 1396301347 /nfs/dbraw/zinc/30/13/47/1396301347.db2.gz PUZAXZXPRZXMBK-LJQANCHMSA-N 2 0 337.552 3.366 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccccc1 ZINC001492156148 1396309463 /nfs/dbraw/zinc/30/94/63/1396309463.db2.gz FUEBXJVQSFXAEB-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001492176349 1396312591 /nfs/dbraw/zinc/31/25/91/1396312591.db2.gz XGDQKOJINNOBED-ZWKOTPCHSA-N 2 0 337.552 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCC[N@@H+]2CC)C1 ZINC001494250631 1396409714 /nfs/dbraw/zinc/40/97/14/1396409714.db2.gz HXQHTUUSRXWNHN-OXUXSNCKSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH+]2CC(CNC(=O)C(C)(C)[NH+]3CCCC3)C2)C1 ZINC001494576911 1396474807 /nfs/dbraw/zinc/47/48/07/1396474807.db2.gz KINLYWFFEMCGMK-MSOLQXFVSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC1([NH2+]Cc2ccsc2)CCCC1 ZINC001495963617 1396579435 /nfs/dbraw/zinc/57/94/35/1396579435.db2.gz MDVICONTKBIDPE-QGZVFWFLSA-N 2 0 349.544 3.141 10 0 EGAERP CC(C)C[C@H](C[NH2+]C/C=C\Cl)NC(=O)[C@@H]1CCCC[N@@H+]1C(C)C ZINC001496294266 1396637474 /nfs/dbraw/zinc/63/74/74/1396637474.db2.gz LKIHJEFGDJPWDF-KVPVBUAESA-N 2 0 343.943 3.122 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CCN(C(=O)C23CCC[NH+](CCC2)C3)C[C@H]1C ZINC001496350360 1396661046 /nfs/dbraw/zinc/66/10/46/1396661046.db2.gz HKDQEUROGHPEOE-NYQZOWANSA-N 2 0 347.547 3.045 10 0 EGAERP CCC[NH2+]CC[C@H]1CCCCN1C(=O)C1(C[NH+](C)C)CCCCC1 ZINC001496400163 1396688484 /nfs/dbraw/zinc/68/84/84/1396688484.db2.gz CXRPFWXCJJPOFM-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H]2[C@H](C)CCCN2C(=O)C[N@@H+](C)C(C)C)cc1 ZINC001496490953 1396708978 /nfs/dbraw/zinc/70/89/78/1396708978.db2.gz KHRJWCYLDAASEK-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCC[C@@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699012445 1406843937 /nfs/dbraw/zinc/84/39/37/1406843937.db2.gz DSNXGDUPYRGTOI-MSOLQXFVSA-N 2 0 337.552 3.172 10 0 EGAERP CCN(CC[NH2+]CC1CC(C)(C)C1)C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001497479331 1396763094 /nfs/dbraw/zinc/76/30/94/1396763094.db2.gz XSNIGUHQVGPWRS-UHFFFAOYSA-N 2 0 345.531 3.236 10 0 EGAERP C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NC/C=C\C[NH2+]CC1CCC2(CC2)CC1 ZINC001497762174 1396832518 /nfs/dbraw/zinc/83/25/18/1396832518.db2.gz GATZGGZSRMBZHC-FEFURNDJSA-N 2 0 347.547 3.092 10 0 EGAERP CC(C)C[NH2+]CC[C@H]1[C@@H](C)CCCN1C(=O)CCC[NH+]1CCCC1 ZINC001689059307 1396860976 /nfs/dbraw/zinc/86/09/76/1396860976.db2.gz VWKCGOSZCIRLSV-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCCC[C@H]1C[NH2+]CC1=CCCCC1)C1CCC1 ZINC001498485361 1397030245 /nfs/dbraw/zinc/03/02/45/1397030245.db2.gz MCXRDVYNVLEDBJ-ICSRJNTNSA-N 2 0 347.547 3.236 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1C ZINC001689318829 1397035548 /nfs/dbraw/zinc/03/55/48/1397035548.db2.gz QWUHIZAWIRTQDP-XRZRDHLVSA-N 2 0 337.552 3.290 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CC1CCC2(CC2)CC1 ZINC001498492383 1397036854 /nfs/dbraw/zinc/03/68/54/1397036854.db2.gz UUONQGVBNBRRKQ-RTBURBONSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCC[C@@H]1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC001699029166 1406866561 /nfs/dbraw/zinc/86/65/61/1406866561.db2.gz NNWWROKDHZHCCE-OALUTQOASA-N 2 0 349.563 3.339 10 0 EGAERP Cc1ccc(C[N@H+](C)CCCNC(=O)CC[C@H]2CCC[NH+]2C)c(C)c1 ZINC001689807796 1404148828 /nfs/dbraw/zinc/14/88/28/1404148828.db2.gz IKNYNKFIQWDRAL-HXUWFJFHSA-N 2 0 345.531 3.116 10 0 EGAERP CC/C=C/CC[N@H+](C)CCCNC(=O)c1ccc2c[nH+]cn2c1C ZINC001689812456 1404151625 /nfs/dbraw/zinc/15/16/25/1404151625.db2.gz DZEBGWPDFYPKQF-AATRIKPKSA-N 2 0 328.460 3.051 10 0 EGAERP Cc1ccc(C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]2CCCCCC2)cc1 ZINC001689858769 1404172925 /nfs/dbraw/zinc/17/29/25/1404172925.db2.gz JXUUFSHCRHXYLG-LJQANCHMSA-N 2 0 345.531 3.198 10 0 EGAERP CC(C)(C(=O)NC[C@H]([NH2+]CCC1CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001690162437 1404360632 /nfs/dbraw/zinc/36/06/32/1404360632.db2.gz HRQJLZXAZCKTFR-IBGZPJMESA-N 2 0 349.563 3.316 10 0 EGAERP CCC/C=C\CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)C[NH+]1CCC(C)CC1 ZINC001690213709 1404421327 /nfs/dbraw/zinc/42/13/27/1404421327.db2.gz KZDPMTXVFOKHHF-GGJLBNBESA-N 2 0 347.547 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@H]2C[NH+](CC3CCCCC3)CC[C@H]21 ZINC001690318185 1404475057 /nfs/dbraw/zinc/47/50/57/1404475057.db2.gz QAQLIGRBMQGXGX-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+][C@H]2C[C@@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001690370380 1404501223 /nfs/dbraw/zinc/50/12/23/1404501223.db2.gz UINRYZQOPSRAEJ-FFZOFVMBSA-N 2 0 345.531 3.448 10 0 EGAERP C[N@H+](CC(=O)NC[C@H]1CCC[NH+](CCC2=CCCCC2)C1)C1CCC1 ZINC001690383844 1404517125 /nfs/dbraw/zinc/51/71/25/1404517125.db2.gz XDZRWHWDSNDRIB-LJQANCHMSA-N 2 0 347.547 3.189 10 0 EGAERP C[C@H](NC(=O)C1([NH+](C)C)CCC1)[C@H]1CCC[N@H+](CC2CC(C)(C)C2)C1 ZINC001690499506 1404612435 /nfs/dbraw/zinc/61/24/35/1404612435.db2.gz WGQOVFFGMBPRNY-WMZOPIPTSA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)[C@H]1CCC[NH+](CC2=CCCCC2)C1 ZINC001690505364 1404617491 /nfs/dbraw/zinc/61/74/91/1404617491.db2.gz QXEGOVZWVYXCNK-HKUYNNGSSA-N 2 0 335.536 3.045 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)CC2CC[NH+](C)CC2)CC1 ZINC001690541626 1404627163 /nfs/dbraw/zinc/62/71/63/1404627163.db2.gz IXXHEDOJYXNUEJ-PLNGDYQASA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CCC[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690774016 1404722283 /nfs/dbraw/zinc/72/22/83/1404722283.db2.gz BSPARFJZDAWDAW-ZWKOTPCHSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCC2=CCCCC2)C1)C1CCC1 ZINC001690772890 1404722433 /nfs/dbraw/zinc/72/24/33/1404722433.db2.gz YGWXCPPBFHHLAY-MOPGFXCFSA-N 2 0 347.547 3.378 10 0 EGAERP CN(C[C@@H]1CC[N@@H+]1CC1CCCC1)C(=O)CC[NH+](C)C1CCCCC1 ZINC001691051245 1404968600 /nfs/dbraw/zinc/96/86/00/1404968600.db2.gz YTHFPIMMSXFRKE-FQEVSTJZSA-N 2 0 349.563 3.364 10 0 EGAERP CC[C@H](C)C[NH2+][C@H]1C[C@@H](CNC(=O)[C@@H]2CC[N@@H+](C3CCCCC3)C2)C1 ZINC001691095608 1405032968 /nfs/dbraw/zinc/03/29/68/1405032968.db2.gz DHGNGWMQUPOPLS-INDMIFKZSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001691170947 1405106592 /nfs/dbraw/zinc/10/65/92/1405106592.db2.gz KLCHICJPDDNWOX-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CCC[NH+]1CCCC1)NC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001691171237 1405106955 /nfs/dbraw/zinc/10/69/55/1405106955.db2.gz PUPLEHWXZQWXEF-FQEVSTJZSA-N 2 0 347.547 3.191 10 0 EGAERP CCC(CC)C[NH2+][C@H]1C[C@H](CNC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)C1 ZINC001691178110 1405115399 /nfs/dbraw/zinc/11/53/99/1405115399.db2.gz MXWVGKCTNNPKDL-CADBVGFASA-N 2 0 337.552 3.027 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)[C@@H]3CC[N@H+](C)[C@@H]3C)C2)CC1 ZINC001691275234 1405187204 /nfs/dbraw/zinc/18/72/04/1405187204.db2.gz NKAQYJCDVGIHIR-IPMKNSEASA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]1CCCN(C(=O)CC[NH+](C)C)[C@@H]1CC[NH2+]CC1CCCCC1 ZINC001691306769 1405200346 /nfs/dbraw/zinc/20/03/46/1405200346.db2.gz WUNHRIDHEWWVKN-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CCC(CC)C[NH2+]CC[C@@H]1[C@H](C)CCCN1C(=O)C[NH+]1CCCC1 ZINC001691309293 1405202276 /nfs/dbraw/zinc/20/22/76/1405202276.db2.gz OFVQQJXXAFWGLK-IEBWSBKVSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1[C@H]2CCC[NH+](CC3CCCC3)[C@@H]2C1(C)C ZINC001691428083 1405262207 /nfs/dbraw/zinc/26/22/07/1405262207.db2.gz IVGOLPZMYHPPJO-RLLQIKCJSA-N 2 0 349.563 3.122 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001691621820 1405362879 /nfs/dbraw/zinc/36/28/79/1405362879.db2.gz ZIBXLWQPDCPFLR-QZPVUJMKSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCCCC[C@@H]([NH2+]CC3CC3)C2)CCCCC1 ZINC001691626181 1405364627 /nfs/dbraw/zinc/36/46/27/1405364627.db2.gz WMNCFKQOCVANNJ-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCC[NH+]2CC(C)C)[C@H]1C ZINC001691697181 1405429556 /nfs/dbraw/zinc/42/95/56/1405429556.db2.gz UGNXSPAMRCXLOE-CNGCZUSVSA-N 2 0 335.536 3.042 10 0 EGAERP CC(C)CC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001691798609 1405510983 /nfs/dbraw/zinc/51/09/83/1405510983.db2.gz IAMIECDVSLNLSE-IBGZPJMESA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC(C)(C)C1 ZINC001691823836 1405540438 /nfs/dbraw/zinc/54/04/38/1405540438.db2.gz YNCYFSOXCPAIMT-ROUUACIJSA-N 2 0 339.568 3.226 10 0 EGAERP CCCN(C(=O)[C@H]1CC[NH+](C)C1)[C@H]1CC[N@H+](CCC2=CCCCC2)C1 ZINC001691867198 1405587466 /nfs/dbraw/zinc/58/74/66/1405587466.db2.gz OQWZZMIDYIUWJL-PMACEKPBSA-N 2 0 347.547 3.142 10 0 EGAERP CC(C)[NH2+]CCC[C@@H]1[C@H](C)CCCN1C(=O)[C@H]1CCC[N@@H+]1C(C)C ZINC001691884869 1405607451 /nfs/dbraw/zinc/60/74/51/1405607451.db2.gz YFAMSPYHJROXPQ-GUDVDZBRSA-N 2 0 337.552 3.265 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1)[NH+](C)C ZINC001691885771 1405608853 /nfs/dbraw/zinc/60/88/53/1405608853.db2.gz NWPDLXVVHXPAJU-UHOSZYNNSA-N 2 0 349.563 3.027 10 0 EGAERP CCCCC[NH+]1CCC2(C[C@H](C)N(C(=O)C[C@@H]3CC[N@H+](C)C3)C2)CC1 ZINC001691959689 1405676719 /nfs/dbraw/zinc/67/67/19/1405676719.db2.gz BHYIDHWRUINZCX-OALUTQOASA-N 2 0 349.563 3.221 10 0 EGAERP CCc1cccc(C[N@H+]2CC[C@H](NC(=O)CCC[NH+](C)C)[C@H]2CC)c1 ZINC001692004510 1405721353 /nfs/dbraw/zinc/72/13/53/1405721353.db2.gz HWYDGXJOEHHBPF-VQTJNVASSA-N 2 0 345.531 3.060 10 0 EGAERP C[N@H+](CCC1CCCCC1)CC1CCN(C(=O)[C@@H]2CCC[NH+]2C)CC1 ZINC001692006850 1405724453 /nfs/dbraw/zinc/72/44/53/1405724453.db2.gz UOIXHLAMLYNMPJ-FQEVSTJZSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+](C)CC)CC[N@@H+]1CC1CCC2(CC2)CC1 ZINC001692022209 1405740321 /nfs/dbraw/zinc/74/03/21/1405740321.db2.gz YEHYXFHEKXRRMI-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC(C[N@H+](C)CCC(C)(C)C)CC1 ZINC001692026501 1405743713 /nfs/dbraw/zinc/74/37/13/1405743713.db2.gz NXSJDYLZAWOCCU-UHFFFAOYSA-N 2 0 339.568 3.325 10 0 EGAERP CC[C@H](C(=O)N[C@H]1CCC[N@@H+]([C@H](CC)c2ccccc2)C1)[NH+](C)C ZINC001692141976 1405797181 /nfs/dbraw/zinc/79/71/81/1405797181.db2.gz MRTSHMWFCBRHRP-IPMKNSEASA-N 2 0 331.504 3.059 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)c2ccc(CC[NH+](C)C)cc2)C1 ZINC001698568576 1406172241 /nfs/dbraw/zinc/17/22/41/1406172241.db2.gz DWKCWOIQBLQBBL-HXUWFJFHSA-N 2 0 345.531 3.127 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N(C)[C@@H]1CC[NH+](CCCC(C)(C)C)C1 ZINC001698577512 1406187710 /nfs/dbraw/zinc/18/77/10/1406187710.db2.gz PRPMBKHGNTXNOU-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](C(=O)N(C)[C@@H]1CC[N@H+](CC2CCCC2)C1)[NH+]1CCCCC1 ZINC001698578423 1406188714 /nfs/dbraw/zinc/18/87/14/1406188714.db2.gz UKDZARVRYWRMBA-WOJBJXKFSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@H+](CCC(C)(C)C)C[C@H]1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001732070528 1428318825 /nfs/dbraw/zinc/31/88/25/1428318825.db2.gz HTTFUCZIJJYZEN-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732154508 1428398504 /nfs/dbraw/zinc/39/85/04/1428398504.db2.gz ROQHXEGGRGGDPS-QQGAAHRYSA-N 2 0 347.547 3.330 10 0 EGAERP CCN(C(=O)C[NH+](C)C(C)C)[C@@H]1CC[N@@H+]([C@H](C)c2ccc(F)cc2)C1 ZINC001732190191 1428442276 /nfs/dbraw/zinc/44/22/76/1428442276.db2.gz QEVAEHBPUVCACD-VQIMIIECSA-N 2 0 349.494 3.150 10 0 EGAERP CC[C@@H](CNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1=CCCCC1 ZINC001732214888 1428463248 /nfs/dbraw/zinc/46/32/48/1428463248.db2.gz HZXDPRJVAVLQJF-FQEVSTJZSA-N 2 0 343.515 3.347 10 0 EGAERP CC(C)CC[NH+]1CCC(CCNC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001732326272 1428534715 /nfs/dbraw/zinc/53/47/15/1428534715.db2.gz WPZZSFGPTLTLMG-VQTJNVASSA-N 2 0 349.563 3.268 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001732330314 1428536493 /nfs/dbraw/zinc/53/64/93/1428536493.db2.gz YQZHUHAWUUZUDU-SBUVDCAVSA-N 2 0 349.563 3.434 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@@H]2CCC[C@H]3CCC[N@@H+]32)CCCC1 ZINC001732397569 1428564712 /nfs/dbraw/zinc/56/47/12/1428564712.db2.gz QAXNMUGUIVHZBN-OALUTQOASA-N 2 0 349.563 3.458 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)NCC2([NH2+]CCC3=CCCCC3)CCCC2)C1 ZINC001732397800 1428564573 /nfs/dbraw/zinc/56/45/73/1428564573.db2.gz AXYCVXSFMAXFJA-GOSISDBHSA-N 2 0 347.547 3.237 10 0 EGAERP CC[C@H](F)C[NH2+]C1(CNC(=O)c2ccc3c[nH+]cn3c2C)CCCC1 ZINC001732393421 1428561962 /nfs/dbraw/zinc/56/19/62/1428561962.db2.gz PHXXGWJVVQOGBD-HNNXBMFYSA-N 2 0 346.450 3.023 10 0 EGAERP Cc1cccc(C)c1C[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCC[N@H+]1C(C)C ZINC001732418777 1428573615 /nfs/dbraw/zinc/57/36/15/1428573615.db2.gz IWLKWFXJSJAIGR-AZUAARDMSA-N 2 0 345.531 3.113 10 0 EGAERP C[C@H](C[NH2+]Cc1ccc(C2CCCC2)cc1)N(C)C(=O)CC[NH+](C)C ZINC001732438230 1428580877 /nfs/dbraw/zinc/58/08/77/1428580877.db2.gz VGGDAFGKFCKMTG-QGZVFWFLSA-N 2 0 345.531 3.232 10 0 EGAERP C[C@@H](C[NH2+]CC1CCC(C)CC1)N(C)C(=O)CCC[NH+]1CCCC1 ZINC001732454590 1428589017 /nfs/dbraw/zinc/58/90/17/1428589017.db2.gz IJAZDWDXPMGFDC-XBMUEBEBSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)C[C@H](C[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001732474204 1428601023 /nfs/dbraw/zinc/60/10/23/1428601023.db2.gz YQQHTDPJBYFIBD-RTBURBONSA-N 2 0 349.563 3.029 10 0 EGAERP C[C@@H]([NH2+]CC1CC2(CCC2)C1)[C@@H]1CCCN(C(=O)CCC[NH+](C)C)C1 ZINC001732522998 1428642064 /nfs/dbraw/zinc/64/20/64/1428642064.db2.gz DMFFKDATLOBDSS-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001732528472 1428648353 /nfs/dbraw/zinc/64/83/53/1428648353.db2.gz JXAGAJFEQOSCOE-QUCCMNQESA-N 2 0 349.563 3.290 10 0 EGAERP C[C@H](CC[NH2+]CCC(C)(C)C)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699099463 1412509320 /nfs/dbraw/zinc/50/93/20/1412509320.db2.gz KLYROQVLFQFURD-MRXNPFEDSA-N 2 0 325.541 3.172 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)CC[NH2+]CCC(C)(C)C ZINC001699112555 1412515952 /nfs/dbraw/zinc/51/59/52/1412515952.db2.gz MMVIOHGKCNFUBE-IRXDYDNUSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCCC1)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC001699128865 1412523605 /nfs/dbraw/zinc/52/36/05/1412523605.db2.gz XDHPFQUFNCTEAG-AOIWGVFYSA-N 2 0 337.552 3.172 10 0 EGAERP CCc1ccccc1C[NH2+]CC[C@@H](C)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC001699161217 1412544983 /nfs/dbraw/zinc/54/49/83/1412544983.db2.gz VPCFYFIVQABUNH-XLIONFOSSA-N 2 0 345.531 3.108 10 0 EGAERP Cc1ccccc1C[NH2+]CC[C@H](C)NC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001699161656 1412545017 /nfs/dbraw/zinc/54/50/17/1412545017.db2.gz WDWGYMJBDPAFOT-ICSRJNTNSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001699314492 1412633386 /nfs/dbraw/zinc/63/33/86/1412633386.db2.gz NYFBFQUYRXOJSM-SFFCAUCYSA-N 2 0 343.515 3.022 10 0 EGAERP CC(C)c1ccc([C@H](C)[NH2+]C/C=C/CNC(=O)[C@H]2CC[N@H+](C)C2)cc1 ZINC001699343158 1412652402 /nfs/dbraw/zinc/65/24/02/1412652402.db2.gz YNOFQXKCNSADMM-YWMZBHJASA-N 2 0 343.515 3.085 10 0 EGAERP C[C@H](C[NH2+]CCCC(C)(C)C)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC001699388520 1412701848 /nfs/dbraw/zinc/70/18/48/1412701848.db2.gz SRULTQRQAAKJIX-MRXNPFEDSA-N 2 0 333.520 3.282 10 0 EGAERP CCc1ccc(C[N@H+](C)C[C@@H](C)NC(=O)CC[C@@H]2CCC[NH+]2C)cc1 ZINC001699455084 1412799102 /nfs/dbraw/zinc/79/91/02/1412799102.db2.gz QDFQYRBTZNFPMR-XLIONFOSSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)CCC[NH2+]CC1CC2(CCC2)C1 ZINC001699518953 1412902238 /nfs/dbraw/zinc/90/22/38/1412902238.db2.gz LOXOLGSAABWBEA-LJQANCHMSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@H]1CN(C(=O)C2([NH+](C)C)CCC2)CC[C@@H]1[NH2+]CCCC(C)C ZINC001699608719 1412972689 /nfs/dbraw/zinc/97/26/89/1412972689.db2.gz WSBXUTRQBDSGGI-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H]([C@H]2CCCCN2C(=O)C[NH+]2CCCC2)C1 ZINC001699674404 1413066232 /nfs/dbraw/zinc/06/62/32/1413066232.db2.gz VRFBVPCGPCHOAF-FPMVPNIMSA-N 2 0 347.547 3.142 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C1CC[NH+](C)CC1 ZINC001699739959 1413150939 /nfs/dbraw/zinc/15/09/39/1413150939.db2.gz XACFYOLGCSHHHL-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP C[C@H]1C[C@H]([NH2+]CC2CCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001699742438 1413153463 /nfs/dbraw/zinc/15/34/63/1413153463.db2.gz HJRJTOACCABYEN-AZUAARDMSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1C[C@@H]([NH2+]CC2CCCC2)CCN1C(=O)CCCC[NH+]1CCCC1 ZINC001699742539 1413153488 /nfs/dbraw/zinc/15/34/88/1413153488.db2.gz HJRJTOACCABYEN-ICSRJNTNSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H]1C[NH2+]CCC1=CCCCC1 ZINC001699753389 1413160605 /nfs/dbraw/zinc/16/06/05/1413160605.db2.gz PHQWGZXKQDUBAV-VQTJNVASSA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H](C)c1ccccc1)C1CCCC1 ZINC001699800104 1413211033 /nfs/dbraw/zinc/21/10/33/1413211033.db2.gz QPZIGLKRIOWMME-PXNSSMCTSA-N 2 0 345.531 3.352 10 0 EGAERP CC[C@@H](C)C[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)CC[NH+](C)CC)C2 ZINC001699806892 1413221729 /nfs/dbraw/zinc/22/17/29/1413221729.db2.gz VNOQXFGWUSJWTP-QUCCMNQESA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@@](C)(C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001699852432 1413282095 /nfs/dbraw/zinc/28/20/95/1413282095.db2.gz BLFAPYBRZFMFSK-FQEVSTJZSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@@]1(C[NH2+]CCC2CCCCCC2)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC001699856564 1413287852 /nfs/dbraw/zinc/28/78/52/1413287852.db2.gz PYVFUCDSFBWQMP-NRFANRHFSA-N 2 0 349.563 3.271 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2C[C@H]3C[C@@H](C2)[N@H+](CCCC2CCC2)C3)CCC1 ZINC001699928396 1413368566 /nfs/dbraw/zinc/36/85/66/1413368566.db2.gz QTMLVUFJBCOKLY-OTWHNJEPSA-N 2 0 347.547 3.020 10 0 EGAERP CCC(CC)C[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)[C@@H](CC)[NH+](C)C)C2 ZINC001699975710 1413416258 /nfs/dbraw/zinc/41/62/58/1413416258.db2.gz FMQVVFMKONSGQH-FCGDIQPGSA-N 2 0 337.552 3.122 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)NC[C@H]1CC[C@H](C[NH2+]CCCC2CCC2)CC1 ZINC001699982824 1413429805 /nfs/dbraw/zinc/42/98/05/1413429805.db2.gz MAGHMOJWENDUJD-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP CC(C)=CC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001700076260 1413490375 /nfs/dbraw/zinc/49/03/75/1413490375.db2.gz BDKTXHANBUHKQE-OALUTQOASA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)CC1 ZINC001700098403 1413515149 /nfs/dbraw/zinc/51/51/49/1413515149.db2.gz VNUQFORPDCAQSW-IEWDOMPSSA-N 2 0 337.552 3.027 10 0 EGAERP CN(CCC[N@H+](C)Cc1ccsc1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001700193257 1413626919 /nfs/dbraw/zinc/62/69/19/1413626919.db2.gz UQVULUWMOVRLNP-MSOLQXFVSA-N 2 0 349.544 3.045 10 0 EGAERP C[C@H](Cc1c[nH]cn1)C(=O)N[C@@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001700203547 1413648065 /nfs/dbraw/zinc/64/80/65/1413648065.db2.gz SLPLHYJGSVIIQW-SJLPKXTDSA-N 2 0 346.519 3.139 10 0 EGAERP CC(C)C[NH+]1CCC(CCCCCNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC001700222955 1413671893 /nfs/dbraw/zinc/67/18/93/1413671893.db2.gz BFUVTUBMVRSZNE-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CC[C@H]2CCC[NH+]2C)C(C)(C)C1 ZINC001700291938 1413746748 /nfs/dbraw/zinc/74/67/48/1413746748.db2.gz LMHYEOLFQVECEP-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@H](NC(=O)CCC[NH+]2CCCCC2)C[C@@H]1C ZINC001700323953 1413791142 /nfs/dbraw/zinc/79/11/42/1413791142.db2.gz PMMQHITUBQQSHP-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+][C@H](C)c1cccc(Cl)c1 ZINC001732567094 1428760057 /nfs/dbraw/zinc/76/00/57/1428760057.db2.gz PPNHCDJEOHMXAX-PBHICJAKSA-N 2 0 339.911 3.083 10 0 EGAERP C[C@H](NC(=O)C[NH+]1CCC(C)CC1)[C@H](C)[NH2+]CC1CCC2(CC2)CC1 ZINC001700425334 1413980144 /nfs/dbraw/zinc/98/01/44/1413980144.db2.gz QKAUTXAKZDUYDL-ROUUACIJSA-N 2 0 349.563 3.172 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[N@H+](C)[C@@H](C)c1ccccc1F ZINC001700469363 1414083303 /nfs/dbraw/zinc/08/33/03/1414083303.db2.gz HRUHYYVZGGODQG-CVEARBPZSA-N 2 0 349.494 3.198 10 0 EGAERP CCCC[C@@H](C[NH2+]CCC(C)(C)C)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC001700517194 1414169962 /nfs/dbraw/zinc/16/99/62/1414169962.db2.gz JJTCHCPRLKMRSM-ZWKOTPCHSA-N 2 0 337.552 3.029 10 0 EGAERP C[C@H](c1ccccc1)[N@@H+]1C[C@@H](NC(=O)CCCC[NH+](C)C)C(C)(C)C1 ZINC001700579474 1414257149 /nfs/dbraw/zinc/25/71/49/1414257149.db2.gz VZTOYTIUBVTKNF-IEBWSBKVSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H](C[NH2+]CCCC(C)(C)C)C1 ZINC001700645704 1414311234 /nfs/dbraw/zinc/31/12/34/1414311234.db2.gz LTXHIQCWKJHOGF-BZSNNMDCSA-N 2 0 337.552 3.172 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)C ZINC001700712923 1414370128 /nfs/dbraw/zinc/37/01/28/1414370128.db2.gz JALPZGGOCXKLBD-UXHICEINSA-N 2 0 345.531 3.100 10 0 EGAERP Cc1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001700769003 1414446338 /nfs/dbraw/zinc/44/63/38/1414446338.db2.gz UORPWRMRIXVSTM-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)C[C@H](C)C[N@@H+]1CC[C@]2(NC(=O)CCC[NH+](C)C)CCC[C@@H]12 ZINC001700864435 1414515135 /nfs/dbraw/zinc/51/51/35/1414515135.db2.gz RRAFZHAMLLOFET-NLWGTHIKSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@]23CCC[C@H]2[N@H+](CCCC2CCC2)CC3)CC1 ZINC001700864453 1414515324 /nfs/dbraw/zinc/51/53/24/1414515324.db2.gz RSLNSSAKLRYRPV-WIYYLYMNSA-N 2 0 347.547 3.022 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001700923668 1414576206 /nfs/dbraw/zinc/57/62/06/1414576206.db2.gz OXNVFTTWVMMRMD-OXUXSNCKSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CN(C(=O)c2cccc(C[NH+](C)C)c2)CC1(C)C ZINC001700925514 1414578321 /nfs/dbraw/zinc/57/83/21/1414578321.db2.gz BSVOPOKOLVFROT-IBGZPJMESA-N 2 0 343.515 3.155 10 0 EGAERP CCCCCC[NH+]1CCC([C@@H](C)NC(=O)[C@@]23CC[N@H+](C2)CCC3)CC1 ZINC001701008694 1414666726 /nfs/dbraw/zinc/66/67/26/1414666726.db2.gz WYTCJEFPGQMIHD-NQIIRXRSSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)=CC[NH+]1CCC(C2(NC(=O)CC[C@@H]3CCC[N@H+]3C)CC2)CC1 ZINC001701031758 1414694841 /nfs/dbraw/zinc/69/48/41/1414694841.db2.gz FUDPPYMQJNCYCV-IBGZPJMESA-N 2 0 347.547 3.188 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CC[C@@H](C)NC(=O)CC2CC[NH+](C)CC2)c1 ZINC001732733490 1428934562 /nfs/dbraw/zinc/93/45/62/1428934562.db2.gz MLQNHQZWORCXJY-GOSISDBHSA-N 2 0 345.531 3.020 10 0 EGAERP CCN(CC[NH2+]Cc1c(C)ccc2ccccc21)C(=O)CC[NH+](C)C ZINC001732793052 1428974172 /nfs/dbraw/zinc/97/41/72/1428974172.db2.gz OUGDTCHGBYIZEG-UHFFFAOYSA-N 2 0 341.499 3.038 10 0 EGAERP CCN(CC[NH2+]Cc1cc(C)ccc1C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC001732812466 1428990297 /nfs/dbraw/zinc/99/02/97/1428990297.db2.gz NYFBHHUVEBKKEY-OALUTQOASA-N 2 0 345.531 3.114 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)NC/C=C/C[NH2+]CC2CCCCCC2)C1 ZINC001732890559 1429030069 /nfs/dbraw/zinc/03/00/69/1429030069.db2.gz FTHNXUNNBBZDJM-DUIUGDAFSA-N 2 0 349.563 3.341 10 0 EGAERP Cc1cccc(C[NH2+]C/C=C\CNC(=O)[C@H]2CCCC[N@H+]2C(C)C)c1 ZINC001732908685 1429042520 /nfs/dbraw/zinc/04/25/20/1429042520.db2.gz OCTKLEZIPHDHKU-KKHYBRAUSA-N 2 0 343.515 3.020 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCCC1)NC(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001732998793 1429121665 /nfs/dbraw/zinc/12/16/65/1429121665.db2.gz KJMBUTFEXQFOGQ-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)C1CC[NH+](C(C)C)CC1 ZINC001707146048 1417221989 /nfs/dbraw/zinc/22/19/89/1417221989.db2.gz XCFKOJLBGQMUHJ-PKOBYXMFSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2C[NH+]3CCC2CC3)[C@H]1CC ZINC001707193758 1417238991 /nfs/dbraw/zinc/23/89/91/1417238991.db2.gz SKRLVYMUGZHSCR-MRNGTQDMSA-N 2 0 347.547 3.044 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)[C@H]1CC ZINC001707197374 1417240568 /nfs/dbraw/zinc/24/05/68/1417240568.db2.gz JXILXRLKDIRUOH-UOETZDLVSA-N 2 0 349.563 3.432 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CC[N@@H+]1Cc1ccccc1 ZINC001707205735 1417244571 /nfs/dbraw/zinc/24/45/71/1417244571.db2.gz YJTLPKLITUGRGP-VQTJNVASSA-N 2 0 343.515 3.032 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CCCCCN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC001707237857 1417258656 /nfs/dbraw/zinc/25/86/56/1417258656.db2.gz NEHSGUOQMKRTPQ-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1CC[NH+](CCCC(C)(C)C)[C@@H]1C ZINC001707267060 1417273531 /nfs/dbraw/zinc/27/35/31/1417273531.db2.gz FEKRHGBYLOPUHZ-SQNIBIBYSA-N 2 0 337.552 3.266 10 0 EGAERP C[NH+](CC(=O)N1CCCC[C@H]1C[N@H+](C)CC1CCC1)CC(C)(C)C ZINC001707275668 1417282133 /nfs/dbraw/zinc/28/21/33/1417282133.db2.gz PBNPDMDOUTUCDH-SFHVURJKSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC[NH+](C)[C@@H](C)c1ccccc1F ZINC001707376635 1417300770 /nfs/dbraw/zinc/30/07/70/1417300770.db2.gz CWQQRPXXIDYKCT-LPHOPBHVSA-N 2 0 349.494 3.198 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[N@H+](C)CCCNC(=O)C2([NH+](C)C)CCC2)C1 ZINC001707381514 1417304428 /nfs/dbraw/zinc/30/44/28/1417304428.db2.gz QHHCDEUOKQYSFL-MSOLQXFVSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H]([NH2+]CC1CCCC1)[C@@H]1CCCCN1C(=O)CCC[NH+]1CCCC1 ZINC001707440388 1417344350 /nfs/dbraw/zinc/34/43/50/1417344350.db2.gz VARUAIOZXDHSRX-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCCC[NH+](CC)[C@@H](C)c2ccccc2)CC[N@@H+]1C ZINC001707450578 1417353982 /nfs/dbraw/zinc/35/39/82/1417353982.db2.gz AZWDDRYLVWTDLB-YSIASYRMSA-N 2 0 345.531 3.306 10 0 EGAERP CC[N@H+](CCCNC(=O)C12CC[NH+](CC1)C2)CCC1CCCCCC1 ZINC001707473240 1417372885 /nfs/dbraw/zinc/37/28/85/1417372885.db2.gz QETCUUCIGCOZKL-UHFFFAOYSA-N 2 0 349.563 3.271 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@H]1[C@@H](C)[NH2+]CC1=CCCCC1 ZINC001713005003 1417559603 /nfs/dbraw/zinc/55/96/03/1417559603.db2.gz ZTGAWVJWTRURFC-MJGOQNOKSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[NH+](C)[C@@H](C)C1)CC1CC2(CCC2)C1 ZINC001713022128 1417574443 /nfs/dbraw/zinc/57/44/43/1417574443.db2.gz VKQORFZVUJIQAP-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@]1(F)CC[NH+](C(C)(C)C)C1)CCC(C)C ZINC001713025132 1417577039 /nfs/dbraw/zinc/57/70/39/1417577039.db2.gz UHHJFDGKIINGEM-LJQANCHMSA-N 2 0 343.531 3.073 10 0 EGAERP CC(C)[NH+]1CCCC[C@@H]1C(=O)N[C@H](C)C[N@H+](C)CC1CCCCC1 ZINC001733054113 1429194916 /nfs/dbraw/zinc/19/49/16/1429194916.db2.gz NCMGASWHKPEZJZ-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+]1CCCCC1 ZINC001713089376 1417636606 /nfs/dbraw/zinc/63/66/06/1417636606.db2.gz SVVQEXUBNHRNHS-PMACEKPBSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H]1CC12CC[NH+](CCCC(C)C)CC2 ZINC001713098711 1417649323 /nfs/dbraw/zinc/64/93/23/1417649323.db2.gz TZSKRSQQQWGVAP-RTBURBONSA-N 2 0 349.563 3.268 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@@H](C[N@H+](C)CC2CCCCCC2)C1 ZINC001713134696 1417713092 /nfs/dbraw/zinc/71/30/92/1417713092.db2.gz SEEAUCZMVKSKAD-IBGZPJMESA-N 2 0 337.552 3.079 10 0 EGAERP CC[N@H+](C)[C@H](C(=O)N1CCC[C@H](C[NH+](C)C(C)C)C1)c1ccccc1 ZINC001713136002 1417716748 /nfs/dbraw/zinc/71/67/48/1417716748.db2.gz VSISLZJVFUKLRF-QUCCMNQESA-N 2 0 345.531 3.258 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001713150919 1417731481 /nfs/dbraw/zinc/73/14/81/1417731481.db2.gz SYPLUFRCQQEKTJ-RURPWVQCSA-N 2 0 335.536 3.044 10 0 EGAERP CC[C@@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CC=C(C)C)[NH+](CC)CC ZINC001713179390 1417752682 /nfs/dbraw/zinc/75/26/82/1417752682.db2.gz LIJNEOYPGAMSMI-IPQPSQTFSA-N 2 0 335.536 3.185 10 0 EGAERP CCCC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001713224593 1417813229 /nfs/dbraw/zinc/81/32/29/1417813229.db2.gz YELHFYMUNAIHRL-MOPGFXCFSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc(C[NH2+]C[C@@H]2CCCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001713239787 1417825303 /nfs/dbraw/zinc/82/53/03/1417825303.db2.gz XOUIPFFCVLBEKH-IBGZPJMESA-N 2 0 345.531 3.090 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)C1 ZINC001713241639 1417827484 /nfs/dbraw/zinc/82/74/84/1417827484.db2.gz IPPMWFDEHBSUEZ-AZUAARDMSA-N 2 0 345.531 3.308 10 0 EGAERP CC(C)C[NH2+]C[C@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCCC1 ZINC001713268942 1417878278 /nfs/dbraw/zinc/87/82/78/1417878278.db2.gz MNNBTALUXACILH-RTBURBONSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CCCCN1C(=O)CC[NH+]1CCCCC1 ZINC001713269050 1417878612 /nfs/dbraw/zinc/87/86/12/1417878612.db2.gz RGTACWDOVNSDGH-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CCCC[C@@H]1[C@H]1CCC[NH+]1CCC(C)C ZINC001713271565 1417884409 /nfs/dbraw/zinc/88/44/09/1417884409.db2.gz KVISTPFIMUAXRK-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001713375344 1417985532 /nfs/dbraw/zinc/98/55/32/1417985532.db2.gz PHDLVUTVQFGPOP-IAGOWNOFSA-N 2 0 337.552 3.312 10 0 EGAERP CCCCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C12CCC[NH+]1CCC2 ZINC001733073943 1429228948 /nfs/dbraw/zinc/22/89/48/1429228948.db2.gz GYHXEOWWFAAEQG-QZTJIDSGSA-N 2 0 335.536 3.070 10 0 EGAERP C[C@H](CCNC(=O)c1ccc(C[NH+](C)C)cc1)[NH2+]CC1CCCC1 ZINC001713417994 1418041870 /nfs/dbraw/zinc/04/18/70/1418041870.db2.gz KCQMDYURQQMHOP-MRXNPFEDSA-N 2 0 331.504 3.036 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1CC1CCCCC1 ZINC001713434822 1418064494 /nfs/dbraw/zinc/06/44/94/1418064494.db2.gz JANXFZMPSAGCCK-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)(C(=O)NC[C@H]([NH2+]CCCF)c1ccccc1)[NH+]1CCCCC1 ZINC001713701423 1418458977 /nfs/dbraw/zinc/45/89/77/1418458977.db2.gz AAEUHEDNUKCFMY-SFHVURJKSA-N 2 0 349.494 3.058 10 0 EGAERP CC(C)C[NH2+][C@H](CNC(=O)[C@@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001713705438 1418465724 /nfs/dbraw/zinc/46/57/24/1418465724.db2.gz YSIFZVBRFLLNDO-UYAOXDASSA-N 2 0 345.531 3.354 10 0 EGAERP CC/C=C/CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@@H+](CCC)C2)C1 ZINC001713771970 1418586861 /nfs/dbraw/zinc/58/68/61/1418586861.db2.gz KRJCBIORQMNZKN-WLMAVBAVSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713789090 1418606312 /nfs/dbraw/zinc/60/63/12/1418606312.db2.gz LVHHJYYSUJWHMK-RBUKOAKNSA-N 2 0 337.552 3.268 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001713792256 1418610270 /nfs/dbraw/zinc/61/02/70/1418610270.db2.gz VVTOCOXBOGYQML-DHJFXDNESA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1 ZINC001713969090 1418748044 /nfs/dbraw/zinc/74/80/44/1418748044.db2.gz XSQVELHUSRVUHP-FHWLQOOXSA-N 2 0 335.536 3.068 10 0 EGAERP CC1CCC(C[N@@H+]2CCC[C@H](CNC(=O)C3([NH+](C)C)CCC3)C2)CC1 ZINC001714036312 1418825515 /nfs/dbraw/zinc/82/55/15/1418825515.db2.gz RXIGXTCKGZQHFY-CTWPCTMYSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)NC[C@H]1CCC[N@H+](CCC2CCCCCC2)C1 ZINC001714042392 1418832638 /nfs/dbraw/zinc/83/26/38/1418832638.db2.gz CYKQDGBTRJFREZ-LJQANCHMSA-N 2 0 337.552 3.127 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@H](CNC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714044432 1418836661 /nfs/dbraw/zinc/83/66/61/1418836661.db2.gz QCOOGTARAQYKNE-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H](CNC(=O)C2CC[NH+](CC3CC3)CC2)C1 ZINC001714048668 1418846386 /nfs/dbraw/zinc/84/63/86/1418846386.db2.gz ITCSKFGKUUMBEU-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C[NH2+]CCC(C)(C)C)C1CC1 ZINC001733186789 1429288352 /nfs/dbraw/zinc/28/83/52/1429288352.db2.gz ZVBSATJJLWDAJZ-ZWKOTPCHSA-N 2 0 337.552 3.170 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@@H](C[NH2+]CCC2CCCCC2)C1 ZINC001714071170 1418867037 /nfs/dbraw/zinc/86/70/37/1418867037.db2.gz LGNGNNSNBVCTHW-VQTJNVASSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC[C@H](C[NH2+]CCC(C)(C)C)C1 ZINC001714092612 1418886670 /nfs/dbraw/zinc/88/66/70/1418886670.db2.gz AVTYWMYHOJYKJL-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)[NH2+]CCCC1CCCC1 ZINC001714099437 1418895688 /nfs/dbraw/zinc/89/56/88/1418895688.db2.gz OHHHYHHKYWEHNV-YTQUADARSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@@H](CNC(=O)[C@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1ccccc1F ZINC001714105635 1418905013 /nfs/dbraw/zinc/90/50/13/1418905013.db2.gz BPOZIVMCIHIAFV-PKOBYXMFSA-N 2 0 349.494 3.073 10 0 EGAERP C[C@@H](NC(=O)CCC[NH+](C)C)[C@H]1CCC[N@H+](CC2CC3(CCC3)C2)C1 ZINC001714152345 1418958819 /nfs/dbraw/zinc/95/88/19/1418958819.db2.gz AECWUUNJZJNUJK-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@H]1CC ZINC001733195535 1429297421 /nfs/dbraw/zinc/29/74/21/1429297421.db2.gz CJBZSNQIWBVSAO-QUCCMNQESA-N 2 0 345.531 3.379 10 0 EGAERP CCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714239672 1419028587 /nfs/dbraw/zinc/02/85/87/1419028587.db2.gz VMIVFHVNNQCDQM-RBUKOAKNSA-N 2 0 337.552 3.125 10 0 EGAERP CCC[NH2+]CCC1CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001714276315 1419056886 /nfs/dbraw/zinc/05/68/86/1419056886.db2.gz IFDSYTWPDZGRJM-UHFFFAOYSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+]1CCC(C(=O)N[C@H]2CC[C@H]([NH2+]CCCC3CCCC3)CC2)CC1 ZINC001714307649 1419087830 /nfs/dbraw/zinc/08/78/30/1419087830.db2.gz MNUFWUUENDLBHH-MXVIHJGJSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001714350707 1419118409 /nfs/dbraw/zinc/11/84/09/1419118409.db2.gz AZKOFGAJHRFELZ-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCN(C(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001714361597 1419123113 /nfs/dbraw/zinc/12/31/13/1419123113.db2.gz KYRJDJHTSXDSKN-AZUAARDMSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001714367734 1419127513 /nfs/dbraw/zinc/12/75/13/1419127513.db2.gz RKXZOFSEDXUCLR-XSXCZSQGSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@H]1CCN(C(=O)C[N@@H+](C)C(C)C)C1 ZINC001714386395 1419136658 /nfs/dbraw/zinc/13/66/58/1419136658.db2.gz WIQKMKFEMRMPMA-GOSISDBHSA-N 2 0 345.531 3.088 10 0 EGAERP CCCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001714403755 1419146325 /nfs/dbraw/zinc/14/63/25/1419146325.db2.gz PJBYVGQXKHZPMR-IRXDYDNUSA-N 2 0 342.487 3.464 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411060 1419150129 /nfs/dbraw/zinc/15/01/29/1419150129.db2.gz JHMGCRVWCDPERU-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP CCCCC[N@H+](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714455142 1419187691 /nfs/dbraw/zinc/18/76/91/1419187691.db2.gz UWGALUFTCZZSHP-HXUWFJFHSA-N 2 0 345.531 3.475 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+][C@H](C)CCNC(=O)C[NH+]2CCCC2)cc1 ZINC001714499319 1419224664 /nfs/dbraw/zinc/22/46/64/1419224664.db2.gz NKYAYYLMUPRFSV-QZTJIDSGSA-N 2 0 345.531 3.451 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCC2CCCC2)CCCC1)[NH+]1CCCC1 ZINC001714500826 1419226740 /nfs/dbraw/zinc/22/67/40/1419226740.db2.gz UVJRLZXKSVXTGD-UHFFFAOYSA-N 2 0 349.563 3.460 10 0 EGAERP CC1CC[NH+](CC(=O)NCCC[C@@H]2CCC[N@@H+]2CC2CCCC2)CC1 ZINC001714537360 1419263384 /nfs/dbraw/zinc/26/33/84/1419263384.db2.gz JKYNIHQPKZUSFP-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)Cc1csc(C)c1 ZINC001714594264 1419344852 /nfs/dbraw/zinc/34/48/52/1419344852.db2.gz KMPZYNJUEFOYRK-ROUUACIJSA-N 2 0 349.544 3.012 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CC[NH+](C3CCCCC3)C2)C1 ZINC001714637945 1419409574 /nfs/dbraw/zinc/40/95/74/1419409574.db2.gz ZQRNXQAGZUEEMT-RTBURBONSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@H](C(=O)NC[C@H]1CC[N@H+](CC2CCCCC2)C1)[NH+](CC)CC ZINC001714646464 1419421336 /nfs/dbraw/zinc/42/13/36/1419421336.db2.gz KNNKIKCDYJGERJ-RTBURBONSA-N 2 0 337.552 3.125 10 0 EGAERP Cc1cn(C(C)(C)C(=O)N(C)[C@@H](C)C[NH2+]CCCC(C)(C)C)cn1 ZINC001714669208 1419458574 /nfs/dbraw/zinc/45/85/74/1419458574.db2.gz MZOLQIAUELWSTA-INIZCTEOSA-N 2 0 336.524 3.189 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](C)N(C)C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001714728922 1419485634 /nfs/dbraw/zinc/48/56/34/1419485634.db2.gz DTTBWNZASWEKSX-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP Cc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001714772272 1419501490 /nfs/dbraw/zinc/50/14/90/1419501490.db2.gz OSOUPELAXWAYTA-MOPGFXCFSA-N 2 0 345.531 3.196 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccccc1 ZINC001714832046 1419542326 /nfs/dbraw/zinc/54/23/26/1419542326.db2.gz QPDYGPOPQHFSJX-UHFFFAOYSA-N 2 0 345.531 3.135 10 0 EGAERP C[N@@H+]1CCC[C@@H]1C(=O)NC[C@H]([NH2+]CC1=CCCCC1)c1ccccc1 ZINC001714839851 1419552548 /nfs/dbraw/zinc/55/25/48/1419552548.db2.gz SWZKDZFRAUZXCU-VQTJNVASSA-N 2 0 341.499 3.028 10 0 EGAERP CC(C)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001714900256 1419641518 /nfs/dbraw/zinc/64/15/18/1419641518.db2.gz SVHONWSAJFCBGU-UYAOXDASSA-N 2 0 349.563 3.220 10 0 EGAERP CC[C@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001714905713 1419648846 /nfs/dbraw/zinc/64/88/46/1419648846.db2.gz AGLMWIRWPOUYFM-RBUKOAKNSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1c(C(=O)N[C@H](C[NH2+]CCC(C)C)CC(C)C)ccc2c[nH+]cn21 ZINC001714918281 1419669727 /nfs/dbraw/zinc/66/97/27/1419669727.db2.gz NLTBNVVQWMOCFE-KRWDZBQOSA-N 2 0 344.503 3.423 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H](NC(=O)CC[C@H]1CCC[N@H+]1C)C1CCCCC1 ZINC001714980313 1419714890 /nfs/dbraw/zinc/71/48/90/1419714890.db2.gz VBOXVIIYJQYDGY-WOJBJXKFSA-N 2 0 349.563 3.482 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715006591 1419736531 /nfs/dbraw/zinc/73/65/31/1419736531.db2.gz CFLUAQWDVFMTNI-KJYWSYJISA-N 2 0 349.563 3.434 10 0 EGAERP C[C@H]1CN(C(=O)C(C)(C)[NH+]2CCCC2)CC[C@H]1[NH2+]CCC(C)(C)C ZINC001715051631 1419793041 /nfs/dbraw/zinc/79/30/41/1419793041.db2.gz KMNKZKMORAEOOX-DLBZAZTESA-N 2 0 337.552 3.124 10 0 EGAERP CC[C@@H](CNC(=O)C12CCC[NH+](CCC1)C2)[NH2+]CCC1=CCCCC1 ZINC001715066771 1419803388 /nfs/dbraw/zinc/80/33/88/1419803388.db2.gz VHJUPULCTBBNMS-IBGZPJMESA-N 2 0 347.547 3.237 10 0 EGAERP CCc1cccc(C[NH2+][C@H](CC)CNC(=O)[C@H]2CCCC[N@@H+]2CC)c1 ZINC001715089479 1419829320 /nfs/dbraw/zinc/82/93/20/1419829320.db2.gz UBYCJFJABHFGLN-WOJBJXKFSA-N 2 0 345.531 3.108 10 0 EGAERP CCCCCC[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[N@@H+]2C(C)C)CC1 ZINC001715182127 1419915833 /nfs/dbraw/zinc/91/58/33/1419915833.db2.gz JBNKFJPITAKHQW-GUDVDZBRSA-N 2 0 337.552 3.457 10 0 EGAERP CC(C)[NH2+]CC[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715190503 1419922542 /nfs/dbraw/zinc/92/25/42/1419922542.db2.gz MMRQODUOLNWRPP-ICSRJNTNSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@H]1CCCN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001715306220 1420014829 /nfs/dbraw/zinc/01/48/29/1420014829.db2.gz HUPPWYCAGTWQSG-MOPGFXCFSA-N 2 0 347.547 3.045 10 0 EGAERP C[NH+]1CCC(CC(=O)NCC2([NH2+]CC3=CCCCC3)CCCC2)CC1 ZINC001715307865 1420016970 /nfs/dbraw/zinc/01/69/70/1420016970.db2.gz RFWSTJYSWYKKNT-UHFFFAOYSA-N 2 0 347.547 3.237 10 0 EGAERP C[C@@H](C[NH2+]CC1CCCC1)N(C)C(=O)[C@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001715333206 1420038547 /nfs/dbraw/zinc/03/85/47/1420038547.db2.gz UDNIACHQQBBNFT-HKUYNNGSSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH2+]C[C@@H](C)N(C)C(=O)c1ccc2c[nH+]cn2c1C ZINC001715336499 1420040861 /nfs/dbraw/zinc/04/08/61/1420040861.db2.gz DHOSISHNMUQLSF-OAHLLOKOSA-N 2 0 330.476 3.273 10 0 EGAERP C[C@H](C[NH2+]CCC1CCCCCC1)N(C)C(=O)C1CC[NH+](C)CC1 ZINC001715358117 1420057059 /nfs/dbraw/zinc/05/70/59/1420057059.db2.gz UYLPHMBIKHAGGV-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@@H](C)[C@@H]1CCCN(C(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001715464163 1420143389 /nfs/dbraw/zinc/14/33/89/1420143389.db2.gz VIYKSGRVVXKEPL-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CCCC[N@H+](C)CCC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001715485449 1420165750 /nfs/dbraw/zinc/16/57/50/1420165750.db2.gz RJFYXRACJGZGMM-QZTJIDSGSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[C@@H]1CCC[N@@H+]1C)[NH2+]CC1=CCCCC1 ZINC001715494711 1420175920 /nfs/dbraw/zinc/17/59/20/1420175920.db2.gz XMHXOIMETWGKTP-OALUTQOASA-N 2 0 335.536 3.092 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N(C)CC[NH+](C)CC1CCC2(CC2)CC1 ZINC001715540769 1420238937 /nfs/dbraw/zinc/23/89/37/1420238937.db2.gz ZHHLWBMHFFHONY-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1)C(C)C ZINC001715618224 1420266806 /nfs/dbraw/zinc/26/68/06/1420266806.db2.gz BLONNLWJIURNAU-RTBURBONSA-N 2 0 337.552 3.314 10 0 EGAERP CCN(CC[NH2+]CC1CCCCCC1)C(=O)CC[C@H]1CCC[N@@H+]1C ZINC001715739024 1420320036 /nfs/dbraw/zinc/32/00/36/1420320036.db2.gz OUVNBYYOXWIWPB-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP Cc1cccc([C@H](C)[NH2+]C/C=C\CNC(=O)CC[C@H]2CCC[N@@H+]2C)c1 ZINC001715830404 1420360027 /nfs/dbraw/zinc/36/00/27/1420360027.db2.gz YIEDSUURRHLPRM-CDDIUSEKSA-N 2 0 343.515 3.192 10 0 EGAERP CN(CC[N@H+](C)CC1CCCCCC1)C(=O)[C@@H]1CCC[C@@H]2CCC[NH+]21 ZINC001715970462 1420433075 /nfs/dbraw/zinc/43/30/75/1420433075.db2.gz PKJHAQQZLGVPNI-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)C[NH2+][C@@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001715982000 1420440775 /nfs/dbraw/zinc/44/07/75/1420440775.db2.gz AWZSCYLXEXDEFF-VBKZILBWSA-N 2 0 348.450 3.038 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1)[NH+](C)C ZINC001716005823 1420459893 /nfs/dbraw/zinc/45/98/93/1420459893.db2.gz ZIJDBZMTGMNUHD-WMZOPIPTSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH+](C)CC1CC2(CCC2)C1 ZINC001716033193 1420492329 /nfs/dbraw/zinc/49/23/29/1420492329.db2.gz UCLSWZRGCMMKAB-MJGOQNOKSA-N 2 0 349.563 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C(C)C ZINC001716439415 1420660209 /nfs/dbraw/zinc/66/02/09/1420660209.db2.gz MVJGMJOCTWRBGO-PXNSSMCTSA-N 2 0 345.531 3.279 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)C[NH2+]Cc1ccccc1C1CC1 ZINC001716465621 1420678290 /nfs/dbraw/zinc/67/82/90/1420678290.db2.gz DWAZLKYQIXKVKY-OXJNMPFZSA-N 2 0 343.515 3.033 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC1)NC(=O)[C@@H]1CCCC[NH+]1C1CCCC1 ZINC001716492838 1420715028 /nfs/dbraw/zinc/71/50/28/1420715028.db2.gz XFWIWDPBDLMTJK-APWZRJJASA-N 2 0 335.536 3.020 10 0 EGAERP C[C@H](C[N@H+](C)CC1=CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716499127 1420724777 /nfs/dbraw/zinc/72/47/77/1420724777.db2.gz AMFGLTSFCXOYAO-QGZVFWFLSA-N 2 0 343.515 3.299 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001716511938 1420742719 /nfs/dbraw/zinc/74/27/19/1420742719.db2.gz IVSRLFKRGXYZBV-RTBURBONSA-N 2 0 349.563 3.482 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CCCC[C@@H]1C[NH2+]CCC1=CCCCC1 ZINC001716520590 1420749301 /nfs/dbraw/zinc/74/93/01/1420749301.db2.gz MSUANDNKVIRVTL-WOJBJXKFSA-N 2 0 349.563 3.482 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CCC[NH2+]Cc1ccc(C)cc1C ZINC001716545257 1420756520 /nfs/dbraw/zinc/75/65/20/1420756520.db2.gz RMCFFYHICHCLHU-FQEVSTJZSA-N 2 0 345.531 3.116 10 0 EGAERP CN(CCC[NH2+]CC1CCCCC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001716546306 1420756631 /nfs/dbraw/zinc/75/66/31/1420756631.db2.gz OCZJNDHGDBKLFX-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001716547129 1420757000 /nfs/dbraw/zinc/75/70/00/1420757000.db2.gz GIXVQAIZQHBFFD-LPHOPBHVSA-N 2 0 349.494 3.199 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001716559237 1420760099 /nfs/dbraw/zinc/76/00/99/1420760099.db2.gz DZVJKRNKRWSHIS-UHFFFAOYSA-N 2 0 345.531 3.116 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001716651383 1420805110 /nfs/dbraw/zinc/80/51/10/1420805110.db2.gz SGUCERPPOAKRPA-ABQVSZSXSA-N 2 0 347.547 3.188 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C[NH+](C)CCC ZINC001733276223 1429440020 /nfs/dbraw/zinc/44/00/20/1429440020.db2.gz PROJWJMVEJQGOE-ZSQQTYLHSA-N 2 0 335.536 3.140 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCN1C(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001716783190 1420920338 /nfs/dbraw/zinc/92/03/38/1420920338.db2.gz DLFSYUPGGGTYDL-RBUKOAKNSA-N 2 0 335.536 3.164 10 0 EGAERP CC(C)[C@H](C(=O)N[C@H](C[NH2+]CC1=CCCCC1)C1CCCC1)[NH+](C)C ZINC001716820968 1420947363 /nfs/dbraw/zinc/94/73/63/1420947363.db2.gz LGNVICXSJPSFKN-WOJBJXKFSA-N 2 0 349.563 3.338 10 0 EGAERP CC(C)[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)C[NH+](C)CC(C)(C)C)C2 ZINC001716830529 1420957562 /nfs/dbraw/zinc/95/75/62/1420957562.db2.gz RLWNSSVSNCBEFE-FQEVSTJZSA-N 2 0 337.552 3.077 10 0 EGAERP CC(C)CC[N@H+](CC1CC1)C1CCN(C(=O)[C@H]2CCCC[NH+]2C)CC1 ZINC001733278150 1429445254 /nfs/dbraw/zinc/44/52/54/1429445254.db2.gz UMZAWZSVMGCLRB-HXUWFJFHSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)[C@H](C(=O)NC[C@]1(C)CCC[N@H+](CC2CCC2)C1)[NH+]1CCCC1 ZINC001716902757 1421035750 /nfs/dbraw/zinc/03/57/50/1421035750.db2.gz NHNBGDIDMOOGSC-CTNGQTDRSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)CC[N@@H+]1C ZINC001717083867 1421103222 /nfs/dbraw/zinc/10/32/22/1421103222.db2.gz DCTZEGSIEJKEHL-YZGWKJHDSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CC2=CCCCC2)C1 ZINC001717084693 1421103782 /nfs/dbraw/zinc/10/37/82/1421103782.db2.gz UIZLJPUDAVWXQF-WOJBJXKFSA-N 2 0 347.547 3.188 10 0 EGAERP CC(C)CC[NH2+][C@H](C)c1ccc(CNC(=O)C2CC[NH+](C)CC2)cc1 ZINC001717117061 1421121172 /nfs/dbraw/zinc/12/11/72/1421121172.db2.gz ZOEUGZDHOFACRI-QGZVFWFLSA-N 2 0 345.531 3.341 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)CC1 ZINC001717121844 1421124863 /nfs/dbraw/zinc/12/48/63/1421124863.db2.gz PDDQDOYOXBLXEK-MUGJNUQGSA-N 2 0 349.563 3.314 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001717121846 1421124883 /nfs/dbraw/zinc/12/48/83/1421124883.db2.gz PDDQDOYOXBLXEK-WTGUMLROSA-N 2 0 349.563 3.314 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[NH+](CC2CCC(C)CC2)CC1 ZINC001717202152 1421170566 /nfs/dbraw/zinc/17/05/66/1421170566.db2.gz NNIBBKICCARLPK-ACBHZAAOSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001717242591 1421211377 /nfs/dbraw/zinc/21/13/77/1421211377.db2.gz FZVLEDPSGJWSDU-LJQANCHMSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C2CC[NH+](CC3CC3)CC2)C[C@@H]1C ZINC001717335904 1421272714 /nfs/dbraw/zinc/27/27/14/1421272714.db2.gz MVYMYYSGHLWIFU-PXNSSMCTSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@H+](CC=C(C)C)CC1CCN(C(=O)CC[C@@H]2CCC[NH+]2C)CC1 ZINC001717356165 1421291082 /nfs/dbraw/zinc/29/10/82/1421291082.db2.gz OTMNXVBCOGGKFG-FQEVSTJZSA-N 2 0 349.563 3.388 10 0 EGAERP CC[N@H+](CC(C)C)CC1CCN(C(=O)C[NH+]2[C@H](C)CC[C@@H]2C)CC1 ZINC001717357261 1421292876 /nfs/dbraw/zinc/29/28/76/1421292876.db2.gz FORCMTKRNGSVFG-HDICACEKSA-N 2 0 337.552 3.076 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC2CC(NC(=O)CCC[NH+](C)C)C2)c1 ZINC001717390539 1421328193 /nfs/dbraw/zinc/32/81/93/1421328193.db2.gz GBDAKVYLDVHQSL-VIQWUECVSA-N 2 0 345.531 3.191 10 0 EGAERP Cc1c(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC2CCCC2)ccc2c[nH+]cn21 ZINC001717414320 1421345659 /nfs/dbraw/zinc/34/56/59/1421345659.db2.gz BUOJOMFGNVJYAD-CABCVRRESA-N 2 0 342.487 3.319 10 0 EGAERP C[C@@H]([NH2+]Cc1ccc(CF)cc1)[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717423423 1421353240 /nfs/dbraw/zinc/35/32/40/1421353240.db2.gz SIQMTXHGBSZJCG-CVEARBPZSA-N 2 0 349.494 3.013 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H](C)[C@@H](C)[NH2+]CCC(C)(C)C)CC1 ZINC001717432011 1421360120 /nfs/dbraw/zinc/36/01/20/1421360120.db2.gz AJMMJHDSGXRDEY-CVEARBPZSA-N 2 0 325.541 3.026 10 0 EGAERP CCC[NH2+]CC(C)(C)CN(C)C(=O)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001717453130 1421382912 /nfs/dbraw/zinc/38/29/12/1421382912.db2.gz DGSWGDNMFXLTGE-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)=CC[NH+](C)[C@@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001717485638 1421421935 /nfs/dbraw/zinc/42/19/35/1421421935.db2.gz PUIKKXIFBVFOCH-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[N@H+](C)CCC1CCCC1 ZINC001717491165 1421430406 /nfs/dbraw/zinc/43/04/06/1421430406.db2.gz VJSYZCVYUSCJTN-ROUUACIJSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H](C)[N@H+](C)CC1CCCC1)[NH+]1CCCCC1 ZINC001717500055 1421443357 /nfs/dbraw/zinc/44/33/57/1421443357.db2.gz ONTKMSUDUQJGCM-HKUYNNGSSA-N 2 0 337.552 3.124 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C(C)(C)C1 ZINC001717582947 1421509057 /nfs/dbraw/zinc/50/90/57/1421509057.db2.gz SXARHOCTCBNWLI-LSSLULSBSA-N 2 0 337.552 3.146 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+](Cc2cccc(C)c2)CC1(C)C ZINC001717587838 1421516480 /nfs/dbraw/zinc/51/64/80/1421516480.db2.gz MXBVVVKKIMGTGJ-IBGZPJMESA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1=CCCCC1 ZINC001717668045 1421558415 /nfs/dbraw/zinc/55/84/15/1421558415.db2.gz RZBYASZCYLXEDA-HKUYNNGSSA-N 2 0 335.536 3.234 10 0 EGAERP C[C@H](CCC[NH2+]CCC(C)(C)C)NC(=O)C12CCC[NH+](CCC1)C2 ZINC001717673194 1421560407 /nfs/dbraw/zinc/56/04/07/1421560407.db2.gz SAYCRUWLMCPKEU-QGZVFWFLSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)CC[N@H+](C)C1CCN(C(=O)[C@@H]2CCCC[NH+]2C(C)C)CC1 ZINC001717704218 1421578748 /nfs/dbraw/zinc/57/87/48/1421578748.db2.gz HZFBIQAAYKJFLV-IBGZPJMESA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C[NH2+]CCC1CCCC1)C1CC1 ZINC001717730262 1421596631 /nfs/dbraw/zinc/59/66/31/1421596631.db2.gz SVGQDGGTNCQFLB-WOJBJXKFSA-N 2 0 349.563 3.266 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CN(C)C(=O)CCC[NH+](C)C)c1 ZINC001717738462 1421602490 /nfs/dbraw/zinc/60/24/90/1421602490.db2.gz KBWXTZYSHOBOGB-ZWKOTPCHSA-N 2 0 333.520 3.143 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CCC(C)(C)C)CN1C(=O)C1CC[NH+](CC2CC2)CC1 ZINC001717825601 1421639996 /nfs/dbraw/zinc/63/99/96/1421639996.db2.gz IAZVQTSSBHMFTE-APWZRJJASA-N 2 0 349.563 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCC1CCC1)CC2 ZINC001717839911 1421654145 /nfs/dbraw/zinc/65/41/45/1421654145.db2.gz DPNYMUGIIQWVLP-AZUAARDMSA-N 2 0 335.536 3.022 10 0 EGAERP CCCC[N@@H+]1CC[C@]2(NC(=O)CCC[NH+]3CCCCC3)CCC[C@H]12 ZINC001717840263 1421654707 /nfs/dbraw/zinc/65/47/07/1421654707.db2.gz HDRWJCBOHJMFDF-AZUAARDMSA-N 2 0 335.536 3.166 10 0 EGAERP C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C[NH2+]CCC3CCCCC3)C2)CCC1 ZINC001717873881 1421681431 /nfs/dbraw/zinc/68/14/31/1421681431.db2.gz WTCJFCMKCJWGAL-RBUKOAKNSA-N 2 0 349.563 3.316 10 0 EGAERP C[N@H+](CC(=O)N[C@H]1CC[C@H](C[NH2+]CC2=CCCCC2)C1)CC(C)(C)C ZINC001717881864 1421686011 /nfs/dbraw/zinc/68/60/11/1421686011.db2.gz VXGFBADSRATXPJ-OALUTQOASA-N 2 0 349.563 3.339 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C[NH2+]CCCC1CCCC1)C(C)(C)C ZINC001717956058 1421727645 /nfs/dbraw/zinc/72/76/45/1421727645.db2.gz QKFQJIAVSRKDJL-ZWKOTPCHSA-N 2 0 337.552 3.172 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]CC1CC2(CCC2)C1)C(C)(C)C)[NH+](C)C ZINC001717970800 1421742925 /nfs/dbraw/zinc/74/29/25/1421742925.db2.gz BQOCHNTUVPHIJW-IAGOWNOFSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C/CC[N@H+]1CC=C(CNC(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001718023354 1421777530 /nfs/dbraw/zinc/77/75/30/1421777530.db2.gz DETWYQPMBVOPJB-WGLWSTOQSA-N 2 0 345.531 3.108 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C)CC[NH+](CCC3=CCCCC3)CC2)C1 ZINC001733363924 1429549928 /nfs/dbraw/zinc/54/99/28/1429549928.db2.gz WBISPHPSGWWVCN-IBGZPJMESA-N 2 0 347.547 3.189 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)C1CCCC1 ZINC001733383000 1429568293 /nfs/dbraw/zinc/56/82/93/1429568293.db2.gz KWFQWBREIWTHHQ-MRQYFZACSA-N 2 0 349.563 3.338 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H](C[NH2+]CC1CCC2(CC2)CC1)C1CCCC1 ZINC001733383980 1429569836 /nfs/dbraw/zinc/56/98/36/1429569836.db2.gz QMQRKLWASRAZIU-IBGZPJMESA-N 2 0 349.563 3.173 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH+]2CC[C@](C)(NC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001733416262 1429620565 /nfs/dbraw/zinc/62/05/65/1429620565.db2.gz IZFAOCNHWHDTTR-RXVVDRJESA-N 2 0 345.531 3.285 10 0 EGAERP CC(C)=CC[N@H+]1CCC[C@](C)(CNC(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001733467205 1429701365 /nfs/dbraw/zinc/70/13/65/1429701365.db2.gz DINZQFHBLKKGID-TZIWHRDSSA-N 2 0 349.563 3.291 10 0 EGAERP CCCCCC[NH2+]C[C@H]1CCCC[C@@H]1NC(=O)C1CC[NH+](C)CC1 ZINC001722945855 1424272091 /nfs/dbraw/zinc/27/20/91/1424272091.db2.gz RYTPUEVNNRHHEV-MOPGFXCFSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N[C@@H]2CCCC[C@@H]2C[NH2+]CCC2CC2)CC1 ZINC001722951188 1424273698 /nfs/dbraw/zinc/27/36/98/1424273698.db2.gz BLOWABWJWJMSPN-WOJBJXKFSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cccc(C)c1C[NH2+]CCCN(C)C(=O)CC[NH+]1CCCCC1 ZINC001723202277 1424320057 /nfs/dbraw/zinc/32/00/57/1424320057.db2.gz ADABWTRGIMDFOO-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@@H](C2CC[NH+](CC3CC3)CC2)C1 ZINC001733512765 1429720926 /nfs/dbraw/zinc/72/09/26/1429720926.db2.gz HRWUCOSFHIZMSV-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CC(C)(C(=O)NCC1([NH2+]CCC2=CCCCC2)CC1)[NH+]1CCCCC1 ZINC001723515851 1424447672 /nfs/dbraw/zinc/44/76/72/1424447672.db2.gz XLBSTWFJGDESAO-UHFFFAOYSA-N 2 0 347.547 3.380 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)C1([NH+](C)C)CCC1 ZINC001723633371 1424499854 /nfs/dbraw/zinc/49/98/54/1424499854.db2.gz QAHQWLAACWNONB-MGBKSAOESA-N 2 0 347.547 3.282 10 0 EGAERP CC[C@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001724026487 1424634081 /nfs/dbraw/zinc/63/40/81/1424634081.db2.gz VDHWZWUBQURTCX-LJQANCHMSA-N 2 0 343.515 3.204 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H](NC(=O)[C@@]12CC[N@H+](C1)CCC2)C1CCCC1 ZINC001724101772 1424664789 /nfs/dbraw/zinc/66/47/89/1424664789.db2.gz DWXXWDYHUKRLME-CTNGQTDRSA-N 2 0 349.563 3.173 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@H]2CC[C@@H](C1)[NH+]2CC1CCC1 ZINC001724118143 1424672173 /nfs/dbraw/zinc/67/21/73/1424672173.db2.gz CDDMZUCTDUAZSH-UXHICEINSA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001733541329 1429747361 /nfs/dbraw/zinc/74/73/61/1429747361.db2.gz YBZUWQVIFKCFIT-YLJYHZDGSA-N 2 0 345.531 3.088 10 0 EGAERP C[N@H+](CCC(=O)N1CC[C@@](C)(C[NH2+]CCC2CC2)C1)C1CCCCC1 ZINC001724232676 1424746388 /nfs/dbraw/zinc/74/63/88/1424746388.db2.gz DHKQNTQOKBQMJV-NRFANRHFSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251674 1424756620 /nfs/dbraw/zinc/75/66/20/1424756620.db2.gz UPDGYCWVGFMDBA-NQIIRXRSSA-N 2 0 349.563 3.127 10 0 EGAERP C[C@H]([NH2+]CCCC1CCC1)[C@@H]1CCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001724545199 1424904504 /nfs/dbraw/zinc/90/45/04/1424904504.db2.gz AHAUJRCRVRMEOA-FXAWDEMLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)CCCC[NH+]1CCCC1)C2 ZINC001724602609 1424934944 /nfs/dbraw/zinc/93/49/44/1424934944.db2.gz XRPPYHJAUKBLDJ-REPLKXPHSA-N 2 0 335.536 3.020 10 0 EGAERP CC(C)=CC[NH2+]C[C@H]1CN(C(=O)C2(C[NH+](C)C)CCCCC2)C[C@H]1C ZINC001724609653 1424946961 /nfs/dbraw/zinc/94/69/61/1424946961.db2.gz ZXJHRWPEMODQEY-MOPGFXCFSA-N 2 0 349.563 3.149 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[C@H]1CC[NH+](C)C1 ZINC001724659462 1425031872 /nfs/dbraw/zinc/03/18/72/1425031872.db2.gz YUPWOLYVLWZDEV-WKOLEINNSA-N 2 0 347.547 3.140 10 0 EGAERP CC[C@H](C)C[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)C[NH+](C)CC(C)(C)C ZINC001724659348 1425036573 /nfs/dbraw/zinc/03/65/73/1425036573.db2.gz YBBJPFUKKFMZJH-RCCFBDPRSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](CC[NH2+]CCC2CCCC2)C1 ZINC001724708361 1425064405 /nfs/dbraw/zinc/06/44/05/1425064405.db2.gz OPENUHPPTNCJSW-WOJBJXKFSA-N 2 0 349.563 3.268 10 0 EGAERP O=C([C@@H]1CCC[N@@H+]1C1CCCC1)N1CC[C@H](CC[NH2+]CC2CCC2)C1 ZINC001724719299 1425072705 /nfs/dbraw/zinc/07/27/05/1425072705.db2.gz ZUTGXGNVVYFMRM-ICSRJNTNSA-N 2 0 347.547 3.022 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)CC1 ZINC001724729599 1425081492 /nfs/dbraw/zinc/08/14/92/1425081492.db2.gz VVPWKKCYCQJPLL-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)Cc1ccccc1CNC(=O)[C@H]1CCCC[NH+]1C(C)C ZINC001724740122 1425103085 /nfs/dbraw/zinc/10/30/85/1425103085.db2.gz FMXCTRWSOIGLQQ-HXUWFJFHSA-N 2 0 345.531 3.408 10 0 EGAERP CC[NH2+][C@@H](C)c1ccc(CNC(=O)[C@H](C)[NH+]2CCCCCC2)cc1 ZINC001724742975 1425111312 /nfs/dbraw/zinc/11/13/12/1425111312.db2.gz DKZVSSAZVJFACH-IRXDYDNUSA-N 2 0 331.504 3.238 10 0 EGAERP CC[NH2+][C@H](C)c1ccc(CNC(=O)[C@H](C(C)C)[NH+]2CCCCC2)cc1 ZINC001724745414 1425114252 /nfs/dbraw/zinc/11/42/52/1425114252.db2.gz ICGJTUVJGSRDRD-XLIONFOSSA-N 2 0 345.531 3.484 10 0 EGAERP CC/C=C\CC[NH2+]C[C@H]1CC[C@H](NC(=O)[C@H]2CCCC[N@@H+]2C)CC1 ZINC001724751932 1425122551 /nfs/dbraw/zinc/12/25/51/1425122551.db2.gz PSPGMMWKJCHRGN-IOEMXKATSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CCC[NH2+]C[C@H]1CC[C@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001724752176 1425122693 /nfs/dbraw/zinc/12/26/93/1425122693.db2.gz RKWAVBZDJDMDGF-UAPYVXQJSA-N 2 0 337.552 3.029 10 0 EGAERP Cc1cccc(C[NH2+]C[C@H]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)CC2)c1 ZINC001724755438 1425126169 /nfs/dbraw/zinc/12/61/69/1425126169.db2.gz PUDVGBNBDORGPU-KESTWPANSA-N 2 0 345.531 3.100 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C2CC[NH+](C)CC2)CC1 ZINC001724839283 1425187833 /nfs/dbraw/zinc/18/78/33/1425187833.db2.gz AKZUCUZOMMQMFZ-ZMBJWTFHSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H](c1ccccc1)[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+](C)C)CC1 ZINC001724843498 1425193352 /nfs/dbraw/zinc/19/33/52/1425193352.db2.gz KFMPIWWADQWIKF-AZUAARDMSA-N 2 0 345.531 3.450 10 0 EGAERP CC1CCC(C[N@H+](C)CCCN(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001724850799 1425213025 /nfs/dbraw/zinc/21/30/25/1425213025.db2.gz HCCBKFJBLCQFSC-UHFFFAOYSA-N 2 0 349.563 3.221 10 0 EGAERP CN(CCC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)C[C@@H]1CC[NH+](C)C1 ZINC001724857696 1425234020 /nfs/dbraw/zinc/23/40/20/1425234020.db2.gz MGEJWXSGPOVYQS-IBGZPJMESA-N 2 0 349.563 3.079 10 0 EGAERP CN(CCC[N@H+](C)CCC(C)(C)C)C(=O)[C@H]1CCC[C@H]2CCC[NH+]21 ZINC001724858076 1425235236 /nfs/dbraw/zinc/23/52/36/1425235236.db2.gz UGKDHYWOTIOHIL-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CCC1([NH2+]CC2CCCC2)CCN(C(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001724891319 1425278990 /nfs/dbraw/zinc/27/89/90/1425278990.db2.gz QAJLCWGJFCFJQO-QZTJIDSGSA-N 2 0 349.563 3.410 10 0 EGAERP C[NH+](C)CCC(=O)N1CCC[C@]2(CC[N@H+](CCCC3CCCC3)C2)C1 ZINC001724897429 1425290135 /nfs/dbraw/zinc/29/01/35/1425290135.db2.gz IOJUGFOZUOGDJF-OAQYLSRUSA-N 2 0 349.563 3.223 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)[C@H]1CCC[NH+]1C)C2 ZINC001724900551 1425294926 /nfs/dbraw/zinc/29/49/26/1425294926.db2.gz TZPPCCQQRJPQPG-QYUKCPRWSA-N 2 0 347.547 3.142 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)C(C)(C)C1 ZINC001724968100 1425363605 /nfs/dbraw/zinc/36/36/05/1425363605.db2.gz YADHPTQQQSEEKZ-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP CC/C=C/CC[N@H+](CC)CC1CCN(C(=O)C[C@@H]2CC[NH+](C)C2)CC1 ZINC001725026873 1425447137 /nfs/dbraw/zinc/44/71/37/1425447137.db2.gz YLSXRTJPNGPYPT-YJJPMGAVSA-N 2 0 349.563 3.245 10 0 EGAERP CCCC[N@H+](CC)CC1CCN(C(=O)[C@@H]2CCC[C@H]3CCC[NH+]32)CC1 ZINC001725027542 1425447549 /nfs/dbraw/zinc/44/75/49/1425447549.db2.gz SLEDWRWPPPWOHD-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP C[N@H+](CCC1=CCCCC1)C[C@@H]1CCCN1C(=O)C1CC[NH+](C)CC1 ZINC001725044483 1425473218 /nfs/dbraw/zinc/47/32/18/1425473218.db2.gz CXHOYLXAPVFQJS-FQEVSTJZSA-N 2 0 347.547 3.142 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]1C[NH+](C)CC1CC2(CCC2)C1 ZINC001725050436 1425483107 /nfs/dbraw/zinc/48/31/07/1425483107.db2.gz ASTVCNJRRHRAMF-LJQANCHMSA-N 2 0 349.563 3.221 10 0 EGAERP CN(CC(C)(C)C[NH2+]CCC1CC1)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001725142989 1425622731 /nfs/dbraw/zinc/62/27/31/1425622731.db2.gz QYXLNUBOFFNEJT-LJQANCHMSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001725194061 1425744165 /nfs/dbraw/zinc/74/41/65/1425744165.db2.gz IXBBJSMSFIADRD-PKOBYXMFSA-N 2 0 349.563 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCC2(CC2)CC1 ZINC001725194059 1425744968 /nfs/dbraw/zinc/74/49/68/1425744968.db2.gz IXBBJSMSFIADRD-MJGOQNOKSA-N 2 0 349.563 3.268 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](CCN(C)C(=O)C[NH+]1CCCC1)C(C)C ZINC001725216087 1425781534 /nfs/dbraw/zinc/78/15/34/1425781534.db2.gz ZXDFPWOAXIIUJS-FQEVSTJZSA-N 2 0 345.531 3.054 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[N@H+](CCC)C2)CCCCC1 ZINC001725225350 1425794142 /nfs/dbraw/zinc/79/41/42/1425794142.db2.gz AFRAKBBPRHWJOU-GOSISDBHSA-N 2 0 337.552 3.317 10 0 EGAERP CCCC[NH2+]CC1(NC(=O)[C@H]2CCC[C@@H]([NH+](C)C)C2)CCCCC1 ZINC001725227993 1425797744 /nfs/dbraw/zinc/79/77/44/1425797744.db2.gz DNXRHHXHYHHQNR-ZWKOTPCHSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@H](C)c2ccc(F)cc2)CC1(C)C ZINC001725290406 1425933680 /nfs/dbraw/zinc/93/36/80/1425933680.db2.gz FTGBTIQXGVKOHZ-QAPCUYQASA-N 2 0 349.494 3.055 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001725403556 1426047853 /nfs/dbraw/zinc/04/78/53/1426047853.db2.gz BUHREOKKPNCXFL-ZWKOTPCHSA-N 2 0 345.531 3.354 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)CCC[NH2+]Cc1ccc(F)cc1 ZINC001725468634 1426138014 /nfs/dbraw/zinc/13/80/14/1426138014.db2.gz LHNHUWJVFPCQSI-LPHOPBHVSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@@H](CN(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)[NH2+]CC1CCCCC1 ZINC001725491246 1426168860 /nfs/dbraw/zinc/16/88/60/1426168860.db2.gz UFUQOFHUNQLIJY-FXAWDEMLSA-N 2 0 349.563 3.410 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C[N@@H+](C)CC(C)(C)C)C[C@H]21 ZINC001725623011 1426288998 /nfs/dbraw/zinc/28/89/98/1426288998.db2.gz LHAGFAGNENTSMM-IPMKNSEASA-N 2 0 349.563 3.147 10 0 EGAERP CC/C=C/CC[NH2+]C[C@@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001725656181 1426339330 /nfs/dbraw/zinc/33/93/30/1426339330.db2.gz SUHYLMJEVBEXFN-PJHKVULZSA-N 2 0 335.536 3.092 10 0 EGAERP CC(C)CCC[NH2+][C@@H]1CN(C(=O)[C@@H]2CCC[N@@H+]2C(C)C)CC1(C)C ZINC001725667355 1426350398 /nfs/dbraw/zinc/35/03/98/1426350398.db2.gz DXUYQUDSEWYNTC-ZWKOTPCHSA-N 2 0 337.552 3.122 10 0 EGAERP CCCCC[NH2+][C@@H]1CN(C(=O)[C@H](C)[NH+]2CCCCCC2)CC1(C)C ZINC001725684152 1426372015 /nfs/dbraw/zinc/37/20/15/1426372015.db2.gz YGDUJNIXVADTNU-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CC[N@H+](C)CCN(C(=O)[C@@H](C)[NH+]1CCCCCC1)C(C)C ZINC001725733273 1426406120 /nfs/dbraw/zinc/40/61/20/1426406120.db2.gz PMBHIWVRFIAPBO-LJQANCHMSA-N 2 0 339.568 3.466 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C[NH2+]CC1CCCCCC1)C(C)(C)C ZINC001725754364 1426433439 /nfs/dbraw/zinc/43/34/39/1426433439.db2.gz AYVITVWUAWYUOC-GOSISDBHSA-N 2 0 339.568 3.418 10 0 EGAERP CC[C@H](C)C[N@H+]1CC=C(CNC(=O)[C@@H](C(C)C)[NH+]2CCCCC2)CC1 ZINC001725831093 1426510269 /nfs/dbraw/zinc/51/02/69/1426510269.db2.gz XIQVDCGIKHMZEF-AZUAARDMSA-N 2 0 349.563 3.291 10 0 EGAERP CCC/C=C/CC[NH+]1CCC2(C[C@H]2NC(=O)CCc2c[nH]cn2)CC1 ZINC001731376088 1427309736 /nfs/dbraw/zinc/30/97/36/1427309736.db2.gz ATZSCMXTMIGFEH-SHCNBLLESA-N 2 0 344.503 3.059 10 0 EGAERP CC(C)=CC[N@@H+](C)C[C@H]1CCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001731414504 1427382824 /nfs/dbraw/zinc/38/28/24/1427382824.db2.gz PZJPXIHLVJBBPQ-LJQANCHMSA-N 2 0 349.563 3.388 10 0 EGAERP CC[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+](CC)CC ZINC001731502412 1427484000 /nfs/dbraw/zinc/48/40/00/1427484000.db2.gz HFXKHKLQWVGRCO-MSOLQXFVSA-N 2 0 339.568 3.371 10 0 EGAERP CC(C)(C(=O)N1CCCC[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCC1 ZINC001731545770 1427562493 /nfs/dbraw/zinc/56/24/93/1427562493.db2.gz CTWJKYHQSXPYCV-SFHVURJKSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCC(=O)N1CCCC[C@@H]1[C@@H]1CCC[N@@H+]1CCC1CCCC1 ZINC001731550329 1427569162 /nfs/dbraw/zinc/56/91/62/1427569162.db2.gz GJKROORYLZXDAN-VQTJNVASSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH2+][C@H](C)CNC(=O)[C@H]1CCCC[N@@H+]1C1CCCC1 ZINC001731616514 1427664007 /nfs/dbraw/zinc/66/40/07/1427664007.db2.gz MXUAPWLFOKKBFM-PKVWGGKHSA-N 2 0 335.536 3.234 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CCC[C@@H]([NH2+]Cc2cccc(F)c2)C1 ZINC001731696257 1427746458 /nfs/dbraw/zinc/74/64/58/1427746458.db2.gz AESXHZNGCYPTBS-MOPGFXCFSA-N 2 0 349.494 3.075 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1)[NH2+]CCC1CC1 ZINC001731734239 1427812931 /nfs/dbraw/zinc/81/29/31/1427812931.db2.gz YDBYATJEEYODGB-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H]1CNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001731833205 1428046057 /nfs/dbraw/zinc/04/60/57/1428046057.db2.gz KOUPCJIACHSAAI-IBGZPJMESA-N 2 0 337.552 3.124 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@H]1CCC[C@@H]2CCC[NH+]21)C1CC1 ZINC001731882631 1428154209 /nfs/dbraw/zinc/15/42/09/1428154209.db2.gz PTZOEUWIKCVWIL-RTBURBONSA-N 2 0 335.536 3.020 10 0 EGAERP CN(CC[NH2+]CCC1CCCCCC1)C(=O)CC[C@@H]1CCC[N@@H+]1C ZINC001731922843 1428171574 /nfs/dbraw/zinc/17/15/74/1428171574.db2.gz UEBJYSKHGZPYGP-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC/C=C/CC[NH2+]C[C@H]1CC[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)CC1 ZINC001733688312 1429904438 /nfs/dbraw/zinc/90/44/38/1429904438.db2.gz CEBKVDFDWFMSRP-XMMAQXFNSA-N 2 0 349.563 3.482 10 0 EGAERP CCC[NH2+]C[C@H]1CC[C@H](NC(=O)c2ccc(CC[NH+](C)C)cc2)CC1 ZINC001733690477 1429907127 /nfs/dbraw/zinc/90/71/27/1429907127.db2.gz SJJDIRGEEXXQHN-KESTWPANSA-N 2 0 345.531 3.079 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@H](NC(=O)C[NH+]2[C@H](C)CC[C@H]2C)CC1 ZINC001733691527 1429908347 /nfs/dbraw/zinc/90/83/47/1429908347.db2.gz IYRYQURQRRBQAX-NCXUSEDFSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@H+](C)CCC(=O)NCc1cccc2c1CC[NH+](CCC(C)C)C2 ZINC001733708759 1429922907 /nfs/dbraw/zinc/92/29/07/1429922907.db2.gz ISHCLUBFHAFHFC-UHFFFAOYSA-N 2 0 345.531 3.049 10 0 EGAERP O=C(NCC1([NH2+]CC2CCCC2)CCC1)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001733716309 1429934987 /nfs/dbraw/zinc/93/49/87/1429934987.db2.gz PYHDLFSYUMMRNC-IBGZPJMESA-N 2 0 347.547 3.212 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H]([C@@H]2CCCN(C(=O)C[NH+]3CCCC3)C2)C1 ZINC001733782793 1430050690 /nfs/dbraw/zinc/05/06/90/1430050690.db2.gz PHGSANKBVDWJIH-VQTJNVASSA-N 2 0 349.563 3.223 10 0 EGAERP C[C@H]1C[C@H](NC(=O)CCCC[NH+]2CCCC2)CC[N@@H+]1CC1CCC1 ZINC001733898894 1437716753 /nfs/dbraw/zinc/71/67/53/1437716753.db2.gz GAAFKZGFOHFAEG-PKOBYXMFSA-N 2 0 335.536 3.022 10 0 EGAERP C[NH+](C)CCCC(=O)N1CCC[C@@H]([C@H]2CC[N@H+](CC3CCCC3)C2)C1 ZINC001733940026 1437756289 /nfs/dbraw/zinc/75/62/89/1437756289.db2.gz FYVROSKEGBDSPR-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CC1(C)CC(C[NH2+]CC2CC(NC(=O)CCC[NH+]3CCCCC3)C2)C1 ZINC001733957610 1437764948 /nfs/dbraw/zinc/76/49/48/1437764948.db2.gz CWCLRRFQXSIHKK-UHFFFAOYSA-N 2 0 349.563 3.173 10 0 EGAERP CN(C(=O)CCCC[NH+]1CCCC1)C1CCC([NH2+]CC2CC2)CC1 ZINC001734012276 1437803766 /nfs/dbraw/zinc/80/37/66/1437803766.db2.gz HIYOJBLEKQNLMP-UHFFFAOYSA-N 2 0 335.536 3.022 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)CC1CCCCC1 ZINC001734044659 1437833182 /nfs/dbraw/zinc/83/31/82/1437833182.db2.gz PLCARYAGXMCZMW-MJGOQNOKSA-N 2 0 337.552 3.124 10 0 EGAERP CCCC[C@@H](C[NH2+]CC1CCCCCC1)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001734095664 1437879669 /nfs/dbraw/zinc/87/96/69/1437879669.db2.gz ALHMQRSAEPTZJO-MOPGFXCFSA-N 2 0 337.552 3.173 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@@H]1CC[NH+](C)C1 ZINC001734106182 1437892733 /nfs/dbraw/zinc/89/27/33/1437892733.db2.gz LPMXJTHESICKQC-DXPXIUTNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)C[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001734106810 1437893540 /nfs/dbraw/zinc/89/35/40/1437893540.db2.gz TVDMTWRVRLVEOY-RTBURBONSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCCC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001734123612 1437903097 /nfs/dbraw/zinc/90/30/97/1437903097.db2.gz GXBPFSRNUYZFEC-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001734192279 1437933636 /nfs/dbraw/zinc/93/36/36/1437933636.db2.gz CHSBBJCIFWLKRX-ZCNNSNEGSA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1C[C@@H]2CC[C@H](NC(=O)CCC[NH+]3CCCC3)C[C@H]2C1 ZINC001734192567 1437933920 /nfs/dbraw/zinc/93/39/20/1437933920.db2.gz GNGMZWYLGARYBR-UFYCRDLUSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@H]([NH2+]CCCC2CCCC2)CCN1C(=O)C[N@H+](C)C1CCC1 ZINC001734394689 1438080145 /nfs/dbraw/zinc/08/01/45/1438080145.db2.gz JVTPTKFAQBAIJJ-VQIMIIECSA-N 2 0 335.536 3.020 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@@H]2CCC[C@@H]([NH2+]CC3=CCCCC3)[C@@H]2C1 ZINC001734449167 1438108608 /nfs/dbraw/zinc/10/86/08/1438108608.db2.gz JEIHCHSJLNAXGB-XUVXKRRUSA-N 2 0 347.547 3.045 10 0 EGAERP CCCCC[NH2+]C[C@H]1CC[C@@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001734477802 1438126065 /nfs/dbraw/zinc/12/60/65/1438126065.db2.gz REPLJTGXGFOSHK-DLBZAZTESA-N 2 0 342.487 3.321 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCC3)C2)CC1 ZINC001734477765 1438126125 /nfs/dbraw/zinc/12/61/25/1438126125.db2.gz CBEAMDIOCNURHE-PMACEKPBSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[NH2+][C@H]1CN(C(=O)[C@H](C(C)C)[NH+]2CCCCC2)CC1(C)C ZINC001734505086 1438136870 /nfs/dbraw/zinc/13/68/70/1438136870.db2.gz SCLBWWYBDDFQTC-ROUUACIJSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)N(CC[N@H+](C)CC1CCC1)C(=O)[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC001734554648 1438153714 /nfs/dbraw/zinc/15/37/14/1438153714.db2.gz PHMZGIMHMPVVGH-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CC1CC(C[NH2+]C[C@H](NC(=O)C(C)(C)[NH+]2CCCC2)C(C)(C)C)C1 ZINC001734570287 1438164607 /nfs/dbraw/zinc/16/46/07/1438164607.db2.gz YPDDMQFCZSZGLF-JCYILVPMSA-N 2 0 337.552 3.027 10 0 EGAERP CN(C(=O)[C@H]1CCC[N@@H+]1C1CCCC1)C1CC([NH2+]CCC(C)(C)C)C1 ZINC001734594315 1438180353 /nfs/dbraw/zinc/18/03/53/1438180353.db2.gz NJCWUZXFEGGOSC-NKELODKYSA-N 2 0 349.563 3.409 10 0 EGAERP C[C@@H]1C[N@H+](C)[C@H](C)C[C@H]1NC[C@]1(C)CC[NH+](Cc2ccccc2)C1 ZINC000368530121 168369336 /nfs/dbraw/zinc/36/93/36/168369336.db2.gz ISIQGYPORBNCQG-UKAVVXHISA-N 2 0 329.532 3.217 10 0 EGAERP CC[NH+](CC)CCCn1c2ccc(C(F)(F)F)cc2nc1CC[NH3+] ZINC000040403962 213298972 /nfs/dbraw/zinc/29/89/72/213298972.db2.gz NGOOQCAWFMEJRI-UHFFFAOYSA-N 2 0 342.409 3.288 10 0 EGAERP Cc1ncc(C[NH+]2CCC([C@@H]3CC[N@H+](CC(C)(C)C)C3)CC2)cn1 ZINC000012439179 211381345 /nfs/dbraw/zinc/38/13/45/211381345.db2.gz BJZMCKQEYWPZAJ-LJQANCHMSA-N 2 0 330.520 3.365 10 0 EGAERP CC[NH+]1CCC(CC[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000091729226 218054849 /nfs/dbraw/zinc/05/48/49/218054849.db2.gz WBVDNGCSGXOHBO-HNNXBMFYSA-N 2 0 329.492 3.119 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@@H]1[NH2+]C[C@@H](O)c1ccccc1F ZINC000268766443 141058997 /nfs/dbraw/zinc/05/89/97/141058997.db2.gz BYQGRXCCDXSSPL-TYCQWZJGSA-N 2 0 342.458 3.359 10 0 EGAERP CCC[N@H+](C)C[C@H]1CC[NH+](Cc2ccccc2-c2ccnn2C)C1 ZINC000351693091 144290988 /nfs/dbraw/zinc/29/09/88/144290988.db2.gz JMTUXRPWVLIICM-QGZVFWFLSA-N 2 0 326.488 3.251 10 0 EGAERP CC(C)[C@@H](C(=O)NCc1ccc(F)c(C[NH+](C)C)c1)[NH+]1CCCCC1 ZINC000115417304 152012901 /nfs/dbraw/zinc/01/29/01/152012901.db2.gz GNRFPJGRPSFXGC-IBGZPJMESA-N 2 0 349.494 3.014 10 0 EGAERP c1nc2ccccc2n1CCC[NH2+][C@@H]1CCC[C@@H]1[C@H]1CCCC[NH2+]1 ZINC000336876258 154226015 /nfs/dbraw/zinc/22/60/15/154226015.db2.gz BXVOCSUFYJHWBI-KZNAEPCWSA-N 2 0 326.488 3.327 10 0 EGAERP CC(C)C[C@H]([NH2+][C@@H](C)c1csc(Cl)c1)C(=O)NCC[NH+](C)C ZINC000345280108 156031943 /nfs/dbraw/zinc/03/19/43/156031943.db2.gz KMDQMTXWHRTASR-JSGCOSHPSA-N 2 0 345.940 3.145 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@H+](CC)C[C@@H]2CCCO2)CC1 ZINC000352649758 156399364 /nfs/dbraw/zinc/39/93/64/156399364.db2.gz OJBPGWHSVSTJQM-FQEVSTJZSA-N 2 0 345.531 3.220 10 0 EGAERP CCC[NH+]1CCC(C[NH2+][C@@H](C)c2cnc3cc(C)nn3c2C)CC1 ZINC000093405272 162009091 /nfs/dbraw/zinc/00/90/91/162009091.db2.gz PZSKHUCEMIXPMD-HNNXBMFYSA-N 2 0 329.492 3.119 10 0 EGAERP CC[N@@H+]1CCC[C@H](N[C@H]2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000248880151 163041120 /nfs/dbraw/zinc/04/11/20/163041120.db2.gz KLIJHZMILORTMQ-BURNTYAHSA-N 2 0 327.516 3.256 10 0 EGAERP C[N@H+](CCc1cccnc1)[C@H]1CCC[NH+](CCc2cccnc2)CC1 ZINC000338940020 163393978 /nfs/dbraw/zinc/39/39/78/163393978.db2.gz QXGMLIHYNMSNAL-NRFANRHFSA-N 2 0 338.499 3.048 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH+]1CCC(CCC[NH+](C)C)CC1 ZINC000346169630 164355360 /nfs/dbraw/zinc/35/53/60/164355360.db2.gz MILAJKHBEXZFIH-UHFFFAOYSA-N 3 0 341.503 3.130 10 0 EGAERP [NH3+]CCCN(c1ccccc1F)C1CC[NH+](Cc2ccccn2)CC1 ZINC000346386099 164378746 /nfs/dbraw/zinc/37/87/46/164378746.db2.gz IRJXLWCATZBSKP-UHFFFAOYSA-N 2 0 342.462 3.041 10 0 EGAERP Cn1nccc1-c1ccccc1C[N@@H+]1CC[C@@H](C[NH+](C)CC2CC2)C1 ZINC000351688780 165135048 /nfs/dbraw/zinc/13/50/48/165135048.db2.gz UVQPALLBNZIFGZ-SFHVURJKSA-N 2 0 338.499 3.251 10 0 EGAERP CC(C)[C@@H]([NH2+]Cc1ccccc1C[N@@H+]1CC[C@H](O)C1)c1cccnc1 ZINC000359226873 167101477 /nfs/dbraw/zinc/10/14/77/167101477.db2.gz GQZWEGLPIPMRCR-LEWJYISDSA-N 2 0 339.483 3.135 10 0 EGAERP c1ccc(C[NH+]2CCC(NC3CC([NH+]4CCCCC4)C3)CC2)cc1 ZINC000366892164 168153485 /nfs/dbraw/zinc/15/34/85/168153485.db2.gz YSDXTONVQFUNQX-UHFFFAOYSA-N 2 0 327.516 3.258 10 0 EGAERP C[C@@H](CC(N)=O)[NH2+][C@@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000367162584 168186713 /nfs/dbraw/zinc/18/67/13/168186713.db2.gz CRTATKMSSPOACE-NPEOJJKDSA-N 2 0 349.906 3.107 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccccc2)CC[C@H]1NCc1cnc2n1CCCC2 ZINC000367435782 168225286 /nfs/dbraw/zinc/22/52/86/168225286.db2.gz CZWBGQXLIIWZBO-YLJYHZDGSA-N 2 0 338.499 3.220 10 0 EGAERP Cc1cc(CC[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)on1 ZINC000367592763 168246154 /nfs/dbraw/zinc/24/61/54/168246154.db2.gz FFUCRYZCBYXHPO-HLAWJBBLSA-N 2 0 339.483 3.416 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H]2CCC[C@@H]21 ZINC000367613724 168249225 /nfs/dbraw/zinc/24/92/25/168249225.db2.gz DIPGRVYBAUNRPF-IKGGRYGDSA-N 2 0 347.469 3.113 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCC2CCN(CC(F)(F)F)CC2)[C@H]2CCC[C@H]21 ZINC000367613725 168249680 /nfs/dbraw/zinc/24/96/80/168249680.db2.gz DIPGRVYBAUNRPF-IXDOHACOSA-N 2 0 347.469 3.113 10 0 EGAERP CC(C)C[C@H](C[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1)NC(=O)OC(C)(C)C ZINC000367975432 168291550 /nfs/dbraw/zinc/29/15/50/168291550.db2.gz YHIPTDFNLJLNMK-ZACQAIPSSA-N 2 0 339.524 3.142 10 0 EGAERP CCCCOc1ccc(C[N@H+](C)CC2CC[NH+](C[C@H](C)O)CC2)cc1 ZINC000179516896 265381195 /nfs/dbraw/zinc/38/11/95/265381195.db2.gz KJOZKDVZXOSJLT-SFHVURJKSA-N 2 0 348.531 3.390 10 0 EGAERP Cc1nc2c(s1)[C@H]([NH2+][C@@H]1CCO[C@H](c3cncn3C)C1)CCC2 ZINC000278893069 275285158 /nfs/dbraw/zinc/28/51/58/275285158.db2.gz DXUMBMBGLBFFTP-XPKDYRNWSA-N 2 0 332.473 3.072 10 0 EGAERP C[C@H]([NH2+]C1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1)[C@@H]1C[C@H]1c1ccccc1 ZINC000282988834 275689322 /nfs/dbraw/zinc/68/93/22/275689322.db2.gz FJFIEGUKZQFGTA-KJRRRBQDSA-N 2 0 328.500 3.146 10 0 EGAERP C[C@@H]([NH2+]C[C@@H](O)Cc1ccccc1)[C@H]1CC[N@H+](Cc2ccccc2)C1 ZINC000287243670 276100220 /nfs/dbraw/zinc/10/02/20/276100220.db2.gz YYNFKTXHDKNCON-COPCDDAFSA-N 2 0 338.495 3.090 10 0 EGAERP Cc1cc(C[NH2+]Cc2ccccc2OCC[NH+](C)C)cc(C)c1O ZINC000289158562 276297992 /nfs/dbraw/zinc/29/79/92/276297992.db2.gz DJTYDGWNFKNZKH-UHFFFAOYSA-N 2 0 328.456 3.239 10 0 EGAERP CC[NH+](CC)CCCNC(=O)c1cc2c(s1)C[N@@H+](C1CCCC1)C2 ZINC000065239071 276325657 /nfs/dbraw/zinc/32/56/57/276325657.db2.gz QQFJCBFQNUMWDN-UHFFFAOYSA-N 2 0 349.544 3.468 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]1CCC[NH+](C)[C@@H]1c1cccs1 ZINC000131619072 276365630 /nfs/dbraw/zinc/36/56/30/276365630.db2.gz PTZHOHFSZICJIR-BQFCYCMXSA-N 2 0 349.544 3.122 10 0 EGAERP C[NH+]1CCN(c2cccc(Cl)c2C[NH2+]CCC2(F)CCC2)CC1 ZINC000342234345 277113287 /nfs/dbraw/zinc/11/32/87/277113287.db2.gz UODPSYCZCFWUGX-UHFFFAOYSA-N 2 0 339.886 3.464 10 0 EGAERP CO[C@@H]1C[N@H+](Cc2ccccc2N(C)C2CC[NH+](C)CC2)CC[C@H]1C ZINC000249156193 277299757 /nfs/dbraw/zinc/29/97/57/277299757.db2.gz IHKBPJMWKWQVDX-DYESRHJHSA-N 2 0 345.531 3.074 10 0 EGAERP CC[NH+](CC)[C@H](C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C)c1ccccc1 ZINC000080717367 279153830 /nfs/dbraw/zinc/15/38/30/279153830.db2.gz KTFNLBDYDISANT-NXEWRWPSSA-N 2 0 343.515 3.201 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cccc(C[NH+]3CCCC3)c2)[C@@H](C)C1 ZINC000266073743 279397664 /nfs/dbraw/zinc/39/76/64/279397664.db2.gz KXJDVPNLPQGNPC-FXAWDEMLSA-N 2 0 343.515 3.085 10 0 EGAERP CC[C@@H]([NH2+][C@@H](CC(C)C)C(=O)NCC[NH+](C)C)c1ccc(C)cc1 ZINC000347197670 280193210 /nfs/dbraw/zinc/19/32/10/280193210.db2.gz AZUCSHVMBAOBHL-MOPGFXCFSA-N 2 0 333.520 3.128 10 0 EGAERP OCC1(C[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)CCCC1 ZINC000249058501 308018023 /nfs/dbraw/zinc/01/80/23/308018023.db2.gz ZKFNOXHXFKMMQA-ACDBMABISA-N 2 0 328.500 3.324 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccnc(Br)c2)[C@@H](C)C1 ZINC000293696350 308153698 /nfs/dbraw/zinc/15/36/98/308153698.db2.gz CHDAIMHXLOQWEQ-JSGCOSHPSA-N 2 0 326.282 3.006 10 0 EGAERP CC[N@@H+]1CC[C@@H](N(C)Cc2ccnc(Br)c2)[C@H](C)C1 ZINC000293696352 308153765 /nfs/dbraw/zinc/15/37/65/308153765.db2.gz CHDAIMHXLOQWEQ-TZMCWYRMSA-N 2 0 326.282 3.006 10 0 EGAERP CC[N@@H+]1CC[C@H](N(C)Cc2ccc(C(=O)OC)c(Cl)c2)[C@H](C)C1 ZINC000294857002 308264683 /nfs/dbraw/zinc/26/46/83/308264683.db2.gz CSTRCKNIRKPTBJ-DYVFJYSZSA-N 2 0 338.879 3.289 10 0 EGAERP C[C@@H]([NH3+])[C@H](C)NC(=O)Nc1ccccc1C[N@H+](C)C1CCCCC1 ZINC000414708041 309096497 /nfs/dbraw/zinc/09/64/97/309096497.db2.gz IFYMLQXSMXXFGM-CABCVRRESA-N 2 0 332.492 3.308 10 0 EGAERP Cc1cccc(C[NH+](Cc2cccc(C)n2)C[C@@H]2CC[NH2+][C@H](C)C2)n1 ZINC000414717551 309097157 /nfs/dbraw/zinc/09/71/57/309097157.db2.gz ZSEPCKVPFDWWDE-RTBURBONSA-N 2 0 338.499 3.484 10 0 EGAERP C[C@@H]([NH2+]CC1(O)CC[NH+](Cc2ccccc2)CC1)c1cccc(O)c1 ZINC000397581065 308904716 /nfs/dbraw/zinc/90/47/16/308904716.db2.gz DYWVKQRBCLMZAR-QGZVFWFLSA-N 2 0 340.467 3.070 10 0 EGAERP CCC[C@H]([NH2+]CC(=O)NC1CC[NH+](C(C)C)CC1)C1CCCCC1 ZINC000411488094 308941094 /nfs/dbraw/zinc/94/10/94/308941094.db2.gz KHMDUFFKBJVBJO-IBGZPJMESA-N 2 0 337.552 3.314 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1F)[NH2+]CC1(C)CC[NH2+]CC1 ZINC000414900755 309108177 /nfs/dbraw/zinc/10/81/77/309108177.db2.gz IWVKUZSSOQAGAX-GFCCVEGCSA-N 2 0 343.284 3.499 10 0 EGAERP Clc1cc(Cl)cc(C[NH2+]C2CCC([NH+]3CCNCC3)CC2)c1 ZINC000415060489 309117621 /nfs/dbraw/zinc/11/76/21/309117621.db2.gz WYTVEMVYXTUWJB-UHFFFAOYSA-N 2 0 342.314 3.299 10 0 EGAERP [NH3+][C@H]1CCCO[C@@H]1C1CC[NH+](CCCCOc2ccccc2)CC1 ZINC000415103023 309120568 /nfs/dbraw/zinc/12/05/68/309120568.db2.gz FIUUPJNPGIMVOL-VQTJNVASSA-N 2 0 332.488 3.064 10 0 EGAERP C[NH2+]Cc1ccccc1NC(=O)NCCCC[N@H+]1C[C@H](C)C[C@H](C)C1 ZINC000415896217 309146640 /nfs/dbraw/zinc/14/66/40/309146640.db2.gz CZQQMIJURKIUOP-CALCHBBNSA-N 2 0 346.519 3.286 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CC[NH+](CCC(C)(C)C)CC1 ZINC000415944315 309150403 /nfs/dbraw/zinc/15/04/03/309150403.db2.gz OYPXQBGTSAPDOW-UHFFFAOYSA-N 2 0 346.519 3.382 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)NCCC[NH+]1CCCCCC1 ZINC000415943817 309150418 /nfs/dbraw/zinc/15/04/18/309150418.db2.gz NHGMATNWELIGMP-UHFFFAOYSA-N 2 0 332.492 3.184 10 0 EGAERP CCCC[N@H+](C)CC1CCN(C(=O)Nc2ccc3c(c2)C[NH2+]C3)CC1 ZINC000415996925 309153804 /nfs/dbraw/zinc/15/38/04/309153804.db2.gz OJCVUAODVAMDSB-UHFFFAOYSA-N 2 0 344.503 3.266 10 0 EGAERP COc1ccc([C@H](C[NH3+])C[N@H+](C)CCOc2ccc(C)cc2)cc1 ZINC000420320579 309281967 /nfs/dbraw/zinc/28/19/67/309281967.db2.gz QRIMNGHKGRKXRK-GOSISDBHSA-N 2 0 328.456 3.057 10 0 EGAERP COC(=O)c1cc2cc(C[N@@H+]3CCCC[C@H]3[C@@H]3CC[NH2+]C3)ccc2o1 ZINC000420394367 309286215 /nfs/dbraw/zinc/28/62/15/309286215.db2.gz KIOPKRRSMICATN-WBVHZDCISA-N 2 0 342.439 3.183 10 0 EGAERP CC[NH+]1CCC(N2CCC[N@@H+]([C@H](C)c3cccc(OC)c3)CC2)CC1 ZINC000420984411 309305854 /nfs/dbraw/zinc/30/58/54/309305854.db2.gz TUCCKEIBCQPQET-GOSISDBHSA-N 2 0 345.531 3.248 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+]C[C@H]1CC12CCSCC2 ZINC000421366984 309320901 /nfs/dbraw/zinc/32/09/01/309320901.db2.gz AQSXOCSAIHLAQY-MRXNPFEDSA-N 2 0 328.485 3.199 10 0 EGAERP Cc1[nH]c2ccc(C[NH2+][C@@H]3CCOC[C@@H]3[C@H]3CCC[NH2+]3)cc2c1C ZINC000422723761 309365156 /nfs/dbraw/zinc/36/51/56/309365156.db2.gz SIUCSNPIPACGBG-GUDVDZBRSA-N 2 0 327.472 3.031 10 0 EGAERP Cc1nc(C[NH3+])ccc1[C@@H](C)[NH2+]C1CCN(Cc2ccccc2)CC1 ZINC000422726632 309365413 /nfs/dbraw/zinc/36/54/13/309365413.db2.gz FQJXDDAVGDCPIJ-MRXNPFEDSA-N 2 0 338.499 3.164 10 0 EGAERP CCOC(=O)C1([C@H](C)[NH2+]Cc2oc3ccccc3c2C)CC[NH2+]CC1 ZINC000422740718 309366096 /nfs/dbraw/zinc/36/60/96/309366096.db2.gz CJMIZAGUWJZXGF-HNNXBMFYSA-N 2 0 344.455 3.152 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@H](C)c1ccc(C[NH3+])nc1C ZINC000422752891 309366587 /nfs/dbraw/zinc/36/65/87/309366587.db2.gz HSQXUZXJLJLPMS-CQSZACIVSA-N 2 0 337.471 3.248 10 0 EGAERP COc1cccc(O[C@H](C)C[NH2+][C@@H]2CCC[C@@H]2[C@H]2CCCC[NH2+]2)c1 ZINC000422779110 309367842 /nfs/dbraw/zinc/36/78/42/309367842.db2.gz BKLDOSGUDHOUPT-HUYLIWGRSA-N 2 0 332.488 3.363 10 0 EGAERP [NH3+][C@@H]1C[C@@H]([NH2+][C@@H]2CCN(c3c(F)cccc3F)C2)c2ccccc21 ZINC000422866356 309372805 /nfs/dbraw/zinc/37/28/05/309372805.db2.gz QGFZBZJQSGZPCZ-NXOUGTEYSA-N 2 0 329.394 3.278 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+]C1CCC(C[NH3+])CC1 ZINC000422885880 309374080 /nfs/dbraw/zinc/37/40/80/309374080.db2.gz HNOKEGPLFHPCQM-XHEHWMSISA-N 3 0 329.532 3.250 10 0 EGAERP C[NH+](C)CCOc1ccc(C[NH2+][C@@H]2CCC[C@H]2[C@H]2CCCC[NH2+]2)cc1 ZINC000422893745 309374612 /nfs/dbraw/zinc/37/46/12/309374612.db2.gz AQDISLFKNJLBNI-PWRODBHTSA-N 3 0 345.531 3.027 10 0 EGAERP [NH3+][C@@H]1CCCCC[C@@H]1[NH2+][C@H]1CCCN(Cc2c(F)cccc2F)C1 ZINC000422913439 309376122 /nfs/dbraw/zinc/37/61/22/309376122.db2.gz YJGJPQCBJIDCFA-KYNGSXCRSA-N 2 0 337.458 3.179 10 0 EGAERP C[C@H](Cc1ccc(Br)cc1)[NH2+]C1CCC(C[NH3+])CC1 ZINC000422934440 309376824 /nfs/dbraw/zinc/37/68/24/309376824.db2.gz FZAQXDFIYNAFBB-XEBKBJJBSA-N 2 0 325.294 3.487 10 0 EGAERP Fc1ccc(OCC[NH2+][C@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)cc1 ZINC000422934605 309376921 /nfs/dbraw/zinc/37/69/21/309376921.db2.gz GAYXVVAGOMSPEI-AZUAARDMSA-N 2 0 342.414 3.050 10 0 EGAERP CN1CC[C@@H]([NH2+]C2C[C@H]3CC[C@@H](C2)[NH2+]3)[C@H]1c1ccc(Cl)c(F)c1 ZINC000423016732 309381268 /nfs/dbraw/zinc/38/12/68/309381268.db2.gz UKOAEBCFGATSTL-IJMVSKDOSA-N 2 0 337.870 3.097 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+][C@@H](Cc1ccc(Cl)cc1)c1ccccn1 ZINC000423033681 309381970 /nfs/dbraw/zinc/38/19/70/309381970.db2.gz ZPCRZRFPAVLKGL-MJGOQNOKSA-N 2 0 347.890 3.362 10 0 EGAERP FC(F)(F)C1(C[NH2+][C@@H]2C[C@@]3(CC[NH2+]C3)Oc3ccccc32)CC1 ZINC000423108398 309386339 /nfs/dbraw/zinc/38/63/39/309386339.db2.gz MAXPQBLTIDHMNY-CZUORRHYSA-N 2 0 326.362 3.174 10 0 EGAERP C[C@@H]([NH2+][C@H](c1ccc(Cl)cc1)C1C[C@H]2CC[C@@H](C1)[N@H+]2C)C1C[NH2+]C1 ZINC000423108043 309386365 /nfs/dbraw/zinc/38/63/65/309386365.db2.gz QQRUOVNWFUDLGP-UBXRXZJXSA-N 3 0 347.934 3.451 10 0 EGAERP C[C@H](CCc1ccc(F)cc1F)[NH2+]CCCNCc1cccnc1 ZINC000423184009 309389583 /nfs/dbraw/zinc/38/95/83/309389583.db2.gz HEVZSADHZOWPCU-OAHLLOKOSA-N 2 0 333.426 3.450 10 0 EGAERP C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@H]1CCC[NH2+]C1 ZINC000423222033 309391236 /nfs/dbraw/zinc/39/12/36/309391236.db2.gz ZHHCWZLLMOOVTF-BWUHRYBWSA-N 2 0 327.516 3.160 10 0 EGAERP C[C@H](N[C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1)[C@@H]1CCC[NH2+]C1 ZINC000423222035 309391292 /nfs/dbraw/zinc/39/12/92/309391292.db2.gz ZHHCWZLLMOOVTF-OSTWSGHESA-N 2 0 327.516 3.160 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+][C@H]1CCc2cccc(Br)c2C1 ZINC000423267268 309393141 /nfs/dbraw/zinc/39/31/41/309393141.db2.gz CQQGKLCYAZCQHF-GRDNDAEWSA-N 2 0 337.305 3.414 10 0 EGAERP CS[C@@H]1CC[C@H]1[NH2+][C@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000425358838 309475972 /nfs/dbraw/zinc/47/59/72/309475972.db2.gz REGSGNUPRPYQNV-MZMPZRCHSA-N 2 0 337.508 3.122 10 0 EGAERP C[NH+](C)CCc1ccccc1NC(=O)C1(C[NH+](C)C)CCCCC1 ZINC000427514415 309530234 /nfs/dbraw/zinc/53/02/34/309530234.db2.gz CIKFXDAHDZVUCD-UHFFFAOYSA-N 2 0 331.504 3.241 10 0 EGAERP CCC(C)(C)[NH2+][C@@H](C)C(=O)Nc1cccc2c1OCC[C@H]2[NH+](C)C ZINC000447722634 309986752 /nfs/dbraw/zinc/98/67/52/309986752.db2.gz JZXIXEMUOJRPBH-XJKSGUPXSA-N 2 0 333.476 3.177 10 0 EGAERP C[C@H](Cc1ccoc1)[NH2+]CCCC[NH+]1CCN(c2ccccc2)CC1 ZINC000449088634 310036259 /nfs/dbraw/zinc/03/62/59/310036259.db2.gz IJFXAKANWLISQS-LJQANCHMSA-N 2 0 341.499 3.403 10 0 EGAERP CC[N@@H+]1CCC[C@H](CNC2CC[NH+]([C@@H](C)Cc3ccccc3)CC2)C1 ZINC000449108864 310037716 /nfs/dbraw/zinc/03/77/16/310037716.db2.gz WJQMVXXNTFGYBD-PZJWPPBQSA-N 2 0 343.559 3.404 10 0 EGAERP C[C@@H](Cc1ccoc1)[NH2+][C@@H](C)c1cc(F)ccc1N1CC[NH+](C)CC1 ZINC000449132736 310039282 /nfs/dbraw/zinc/03/92/82/310039282.db2.gz WAWPSIOLPIQTTQ-HOTGVXAUSA-N 2 0 345.462 3.452 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CCCC(C)(C)CO)CC1 ZINC000449162575 310041379 /nfs/dbraw/zinc/04/13/79/310041379.db2.gz JMSGMRXKCLHCAF-SFHVURJKSA-N 2 0 332.532 3.470 10 0 EGAERP C[C@@H](Cc1ccccc1)[NH+]1CCC([NH2+]CC2(CCO)CCC2)CC1 ZINC000449190848 310043489 /nfs/dbraw/zinc/04/34/89/310043489.db2.gz RGZXJENZHVEDGE-SFHVURJKSA-N 2 0 330.516 3.224 10 0 EGAERP CC(C)(C)CC(C)(C)[NH+]1CCC([NH2+][C@@H]2CCn3ccnc3C2)CC1 ZINC000449257546 310048089 /nfs/dbraw/zinc/04/80/89/310048089.db2.gz IZBPVEQUNUIYPS-QGZVFWFLSA-N 2 0 332.536 3.467 10 0 EGAERP COCC1(C[NH2+]C2CC[NH+]([C@H](C)Cc3ccccc3)CC2)CCC1 ZINC000449306420 310052120 /nfs/dbraw/zinc/05/21/20/310052120.db2.gz LFRJGJNCKRSQFV-GOSISDBHSA-N 2 0 330.516 3.488 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CC(C)(C)C(C)(C)O)CC1 ZINC000449727891 310082727 /nfs/dbraw/zinc/08/27/27/310082727.db2.gz SFAUMCDEARRQLH-UHFFFAOYSA-N 2 0 347.547 3.105 10 0 EGAERP COC1([C@H](C)[NH2+]CC[C@@H](C)[N@H+](C)Cc2ccccc2)CCOCC1 ZINC000453133913 310260102 /nfs/dbraw/zinc/26/01/02/310260102.db2.gz NITGTXQTQFBZPF-MSOLQXFVSA-N 2 0 334.504 3.071 10 0 EGAERP C[C@H]([NH2+]CCCC1CCOCC1)c1ccc(OCC[NH+](C)C)cc1 ZINC000453223710 310265047 /nfs/dbraw/zinc/26/50/47/310265047.db2.gz SGTISRORFBRBRX-KRWDZBQOSA-N 2 0 334.504 3.484 10 0 EGAERP C[C@@H]([NH2+]C[C@H]1CCCCN1CCO)c1ccccc1OC(F)(F)F ZINC000453259773 310267455 /nfs/dbraw/zinc/26/74/55/310267455.db2.gz IMBSMXLBFDROOC-ZIAGYGMSSA-N 2 0 346.393 3.083 10 0 EGAERP COc1cc2c(cc1F)CC[C@H]2[NH2+]C1CCN(c2cc[nH+]cc2)CC1 ZINC000459542744 310559673 /nfs/dbraw/zinc/55/96/73/310559673.db2.gz LWZNYUTYNMVUJG-LJQANCHMSA-N 2 0 341.430 3.475 10 0 EGAERP C[C@@H]1CCCC[C@H]1[NH+]1CCC(NCc2ccc3c[nH+]cn3c2)CC1 ZINC000459660448 310566985 /nfs/dbraw/zinc/56/69/85/310566985.db2.gz OIYREZRTZBHBOW-OXQOHEQNSA-N 2 0 326.488 3.467 10 0 EGAERP C[C@@H](Cc1ccc(Br)cc1F)[NH2+]CC1CC[NH2+]CC1 ZINC000517731007 312390692 /nfs/dbraw/zinc/39/06/92/312390692.db2.gz ZULLRXPDXWMCEC-NSHDSACASA-N 2 0 329.257 3.108 10 0 EGAERP CC1=C[C@H](C)C[C@@H](C[NH+]2CCN(C3CC[NH+](C(C)C)CC3)CC2)C1 ZINC000519242474 312446414 /nfs/dbraw/zinc/44/64/14/312446414.db2.gz OCVMKLIOGQGWRP-AZUAARDMSA-N 2 0 333.564 3.469 10 0 EGAERP CCOc1cc(CN2CC[C@@]3(C2)CCC[N@H+](C)C3)c(F)cc1OC ZINC000529589032 313363303 /nfs/dbraw/zinc/36/33/03/313363303.db2.gz MYIVTTFPKRMJTN-IBGZPJMESA-N 2 0 336.451 3.151 10 0 EGAERP O=C(NC[C@H]1CC[N@@H+]1C1CCCCC1)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC000529722827 313399365 /nfs/dbraw/zinc/39/93/65/313399365.db2.gz NDGRBGFMXLTWCO-FXAWDEMLSA-N 2 0 347.547 3.164 10 0 EGAERP c1cc2c(cccc2N2CC[NH+](Cc3ccc4c(c3)C[NH2+]CC4)CC2)[nH]1 ZINC000530232096 313502115 /nfs/dbraw/zinc/50/21/15/313502115.db2.gz NBQZWGDMMPIQMD-UHFFFAOYSA-N 2 0 346.478 3.136 10 0 EGAERP Cc1nn(-c2cc[nH+]cc2)cc1C[NH2+][C@@H]1CCO[C@@H](CC(C)C)C1 ZINC000542313012 314535110 /nfs/dbraw/zinc/53/51/10/314535110.db2.gz KKAHFAXCJSMMFR-MJGOQNOKSA-N 2 0 328.460 3.259 10 0 EGAERP c1cn(CCCC[NH2+][C@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)cn1 ZINC000548817893 315051519 /nfs/dbraw/zinc/05/15/19/315051519.db2.gz OUUBRVATTGDOQE-WKCHPHFGSA-N 2 0 338.499 3.449 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCN2CCc3c(Cl)cccc3C2)[C@H]2CCC[C@@H]21 ZINC000552066906 315194842 /nfs/dbraw/zinc/19/48/42/315194842.db2.gz UIHOGEBNLIFBQE-HOJAQTOUSA-N 2 0 347.934 3.161 10 0 EGAERP COc1cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@@H]32)c2ccccc2n1 ZINC000552244799 315208649 /nfs/dbraw/zinc/20/86/49/315208649.db2.gz LQLLAKIYIRGXMH-LMMKCTJWSA-N 2 0 325.456 3.206 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CC(C)(C)c2ccc3c(c2)OCCO3)[C@H]2CCC[C@@H]21 ZINC000552248852 315209196 /nfs/dbraw/zinc/20/91/96/315209196.db2.gz VKVBCRQOIIOEOJ-SQNIBIBYSA-N 2 0 344.499 3.198 10 0 EGAERP [NH3+]CCc1ccccc1C(=O)Nc1cccc(C[NH+]2CCCCC2)c1 ZINC000565375013 316316483 /nfs/dbraw/zinc/31/64/83/316316483.db2.gz XIJPROZMPVNZFQ-UHFFFAOYSA-N 2 0 337.467 3.426 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]C[C@H](O)COc2ccccc2C(C)C)CC1 ZINC000570836305 317115200 /nfs/dbraw/zinc/11/52/00/317115200.db2.gz FPQGMRSHMVANLM-IBGZPJMESA-N 2 0 348.531 3.261 10 0 EGAERP C[C@H](c1ccccc1)[C@H](O)C[NH2+]Cc1ccc(CC[NH+](C)C)cc1 ZINC000571516325 317209813 /nfs/dbraw/zinc/20/98/13/317209813.db2.gz QYEZLRCUAIVKRS-DYESRHJHSA-N 2 0 326.484 3.045 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+]C2CCC(C[NH3+])CC2)n(-c2ccccc2)n1 ZINC000574268844 317579267 /nfs/dbraw/zinc/57/92/67/317579267.db2.gz BSSOTOFQALAXNW-ZLPCBKJTSA-N 2 0 326.488 3.219 10 0 EGAERP C[N@H+](CCCN[C@@H]1CCC[C@@H]1[C@@H]1CCCC[NH2+]1)Cc1ccccc1 ZINC000382623712 324252867 /nfs/dbraw/zinc/25/28/67/324252867.db2.gz HHDUOHUPSZMJAO-QHAWAJNXSA-N 2 0 329.532 3.409 10 0 EGAERP C[C@@H]([NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1)C(=O)NC(C)(C)C ZINC000579006903 325049311 /nfs/dbraw/zinc/04/93/11/325049311.db2.gz RUZYGKJXWXTQHW-AEFFLSMTSA-N 2 0 343.515 3.076 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCNc2ncc(Cl)cc2Cl)[C@@H]2CCC[C@@H]21 ZINC000579361889 325100194 /nfs/dbraw/zinc/10/01/94/325100194.db2.gz JAQYXSJPMMKVKY-QEJZJMRPSA-N 2 0 343.302 3.263 10 0 EGAERP CCC[NH+]1CCC(C[NH2+]CCC(=O)Nc2cccc(Cl)c2)CC1 ZINC000580314218 325233273 /nfs/dbraw/zinc/23/32/73/325233273.db2.gz GMOCOVYQEOEQQV-UHFFFAOYSA-N 2 0 337.895 3.380 10 0 EGAERP c1nc(CC[NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)cs1 ZINC000241383376 455267399 /nfs/dbraw/zinc/26/73/99/455267399.db2.gz MUYFVQRVMNTVMC-QXAKKESOSA-N 2 0 327.497 3.186 10 0 EGAERP C[C@@H](c1ccncc1)N1CCC([NH2+][C@@H]2CC[N@H+](C)C(C)(C)C2)CC1 ZINC000623469955 460565720 /nfs/dbraw/zinc/56/57/20/460565720.db2.gz XXALOAFXSFPCOS-QFBILLFUSA-N 2 0 330.520 3.069 10 0 EGAERP C[NH+](C)CC1CCC([NH2+]Cc2cncc(Br)c2)CC1 ZINC000183750848 455325716 /nfs/dbraw/zinc/32/57/16/455325716.db2.gz TWRNBBXZGSWXPI-UHFFFAOYSA-N 2 0 326.282 3.054 10 0 EGAERP c1cncc(COc2ccc(C[N@@H+]3CCC[C@@H]4C[NH2+]CC[C@@H]43)cc2)c1 ZINC000631889245 460589061 /nfs/dbraw/zinc/58/90/61/460589061.db2.gz GIKXONZJSRPYHR-CTNGQTDRSA-N 2 0 337.467 3.235 10 0 EGAERP O[C@@H]1CCC[C@H](C[NH2+][C@@H]2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)C1 ZINC000245694736 455357789 /nfs/dbraw/zinc/35/77/89/455357789.db2.gz KVOBSRGMDJXRRA-ALGQRKQJSA-N 2 0 328.500 3.323 10 0 EGAERP Cc1ccccc1CCC[NH+]1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000084677709 454005381 /nfs/dbraw/zinc/00/53/81/454005381.db2.gz KCWOOKJPTMRAKZ-OAQYLSRUSA-N 2 0 329.532 3.030 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]Cc2cnc(C)s2)CC1 ZINC000088702770 454117018 /nfs/dbraw/zinc/11/70/18/454117018.db2.gz RVMCZLWTNKPWKR-UHFFFAOYSA-N 2 0 344.528 3.273 10 0 EGAERP CCc1ccc2c(C[N@H+](C)CC3CC[NH+](C)CC3)cc(=O)oc2c1 ZINC000058428289 454203758 /nfs/dbraw/zinc/20/37/58/454203758.db2.gz SYYMISPEPXWFGI-UHFFFAOYSA-N 2 0 328.456 3.129 10 0 EGAERP O[C@H](C[NH+]1CCC(C[NH2+]Cc2ccsc2)CC1)c1ccccc1 ZINC000071877267 454239486 /nfs/dbraw/zinc/23/94/86/454239486.db2.gz QCKGNWRAXAVNCP-LJQANCHMSA-N 2 0 330.497 3.283 10 0 EGAERP c1[nH]nc(-c2cccnc2)c1C[NH2+]Cc1ccccc1C[NH+]1CCCC1 ZINC000065554333 454592304 /nfs/dbraw/zinc/59/23/04/454592304.db2.gz AOFIHWOXZKCFFM-UHFFFAOYSA-N 2 0 347.466 3.357 10 0 EGAERP Cc1cc(F)ccc1[C@H](O)C[N@@H+]1CC[C@@H]2[C@H](CCC[NH+]2C2CC2)C1 ZINC000134870414 454600943 /nfs/dbraw/zinc/60/09/43/454600943.db2.gz KAHHOTQEBGFCPE-CDHQVMDDSA-N 2 0 332.463 3.116 10 0 EGAERP Brc1ccc2c(c1)C[C@@H]1[C@H]2[C@H]1[NH2+][C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000635001177 460646168 /nfs/dbraw/zinc/64/61/68/460646168.db2.gz JHDDTKUHUHJRFB-JBRKIOIPSA-N 2 0 347.300 3.065 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[N@@H+]2CC[C@@H](COCC)C2)CC1 ZINC000093838985 454739915 /nfs/dbraw/zinc/73/99/15/454739915.db2.gz YTTYDODVYFXVRV-LJQANCHMSA-N 2 0 345.531 3.077 10 0 EGAERP C[C@@H]1C[C@@H]([N@H+](C)Cc2ccc(SC(=O)N(C)C)cc2)CCN1C ZINC000177008011 454811575 /nfs/dbraw/zinc/81/15/75/454811575.db2.gz XRRBDIYMISEOMG-ZBFHGGJFSA-N 2 0 335.517 3.375 10 0 EGAERP C[C@H](Cc1ccc(Br)c(F)c1)[NH2+]C[C@@H]1CCCN1C ZINC000154656023 454916611 /nfs/dbraw/zinc/91/66/11/454916611.db2.gz GKVMOPAUPYMRDC-YPMHNXCESA-N 2 0 329.257 3.203 10 0 EGAERP COc1ccc([C@H](C)[NH2+]C[C@@H](O)C[NH+]2CCCCC2)c2ccccc12 ZINC000151272564 454961819 /nfs/dbraw/zinc/96/18/19/454961819.db2.gz NZGDQHCVXVHYGD-DLBZAZTESA-N 2 0 342.483 3.346 10 0 EGAERP C[C@H]1CCCC[N@@H+]1CCC1CCN(Cc2nnc(C3CC3)n2C)CC1 ZINC000158860762 455333765 /nfs/dbraw/zinc/33/37/65/455333765.db2.gz KAGDSNCLACJAJC-INIZCTEOSA-N 2 0 345.535 3.169 10 0 EGAERP C[C@@H](C(=O)N1CCC[C@@H](C[NH+]2CCCCCC2)C1)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245845957 455384722 /nfs/dbraw/zinc/38/47/22/455384722.db2.gz JHLJTXCGTSDYAE-YRPNKDGESA-N 2 0 349.563 3.362 10 0 EGAERP C[C@H](C[NH2+]C1CC[NH+]([C@H]2CCCC[C@@H]2O)CC1)Cc1ccccc1 ZINC000182068448 455428057 /nfs/dbraw/zinc/42/80/57/455428057.db2.gz QBIGUAHQWJDYHH-YYWHXJBOSA-N 2 0 330.516 3.223 10 0 EGAERP C[NH+]1CCC(C)(C[NH2+]Cc2c(C(F)(F)F)nc3n2CCCC3)CC1 ZINC000606445544 460672354 /nfs/dbraw/zinc/67/23/54/460672354.db2.gz XJTDHGVHNOAOMR-UHFFFAOYSA-N 2 0 344.425 3.060 10 0 EGAERP O[C@@H](Cc1ccccc1)C[N@@H+]1CCC[C@@H](C[NH+]2CCCCCC2)C1 ZINC000246866350 455531116 /nfs/dbraw/zinc/53/11/16/455531116.db2.gz AFHDGNREAYHFAJ-SFTDATJTSA-N 2 0 330.516 3.178 10 0 EGAERP COc1ccc(-c2cnc(CN3CC[C@@H]4[C@H](CCC[N@@H+]4C)C3)o2)cc1 ZINC000247975799 455662778 /nfs/dbraw/zinc/66/27/78/455662778.db2.gz HUNGMBUNWZDZLI-SJLPKXTDSA-N 2 0 341.455 3.266 10 0 EGAERP OCCC1(C[NH2+][C@@H]2CCC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]32)CC1 ZINC000250103280 455784572 /nfs/dbraw/zinc/78/45/72/455784572.db2.gz RTHZYOGYCFTYBW-HSALFYBXSA-N 2 0 328.500 3.039 10 0 EGAERP C[C@@H](c1nc(C(C)(C)C)no1)N1C[C@@H](C[NH3+])[C@H](c2ccccc2)C1 ZINC000261602013 455910889 /nfs/dbraw/zinc/91/08/89/455910889.db2.gz AMRZWVHWGPGWLA-IMJJTQAJSA-N 2 0 328.460 3.102 10 0 EGAERP C[C@H]([NH2+]C(C)(C)CNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1)c1ccccc1 ZINC000262629444 456048203 /nfs/dbraw/zinc/04/82/03/456048203.db2.gz DJOOPKSEUJHNQS-KANFNMMFSA-N 2 0 343.515 3.153 10 0 EGAERP Cc1cc(C[C@H](C)[NH2+][C@@H](C)[C@@H]2CC[N@H+](Cc3ccccc3)C2)[nH]n1 ZINC000272766940 456065168 /nfs/dbraw/zinc/06/51/68/456065168.db2.gz MGYBOUOZJFDAGP-VDZJLULYSA-N 2 0 326.488 3.149 10 0 EGAERP C[NH+](C)CCCC1CC[NH+](C[C@@H](O)c2cc(F)ccc2F)CC1 ZINC000271077761 456119619 /nfs/dbraw/zinc/11/96/19/456119619.db2.gz XHRPBTZFNDQYTF-GOSISDBHSA-N 2 0 326.431 3.052 10 0 EGAERP CC[C@@H](Cc1ccc(OC)c(OC)c1)[NH2+]Cc1ccc2c[nH+]cn2c1 ZINC000297383700 456205640 /nfs/dbraw/zinc/20/56/40/456205640.db2.gz ASXNXZBJHHTQPK-KRWDZBQOSA-N 2 0 339.439 3.462 10 0 EGAERP C[N@@H+](Cc1ccccc1)CC1CC[NH+](C[C@@H](O)CC(F)(F)F)CC1 ZINC000189068456 456218324 /nfs/dbraw/zinc/21/83/24/456218324.db2.gz UOLUDVSYPUWIMZ-KRWDZBQOSA-N 2 0 344.421 3.144 10 0 EGAERP C[NH+](C)CCCOc1ccc(NC(=O)[C@@H]2CCCCCC[C@H]2[NH3+])cc1 ZINC000237108575 456234515 /nfs/dbraw/zinc/23/45/15/456234515.db2.gz ZJHFKUULKGRMHP-RTBURBONSA-N 2 0 347.503 3.253 10 0 EGAERP CC1=C[C@@H](C)C[C@@H](C[NH2+]Cc2ccncc2OCCC[NH+](C)C)C1 ZINC000352929110 456419307 /nfs/dbraw/zinc/41/93/07/456419307.db2.gz BKDCKZJYGFGWHR-SJLPKXTDSA-N 2 0 331.504 3.494 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CC[NH+]1CCC(N2CCc3cc(F)ccc32)CC1 ZINC000282427191 456510066 /nfs/dbraw/zinc/51/00/66/456510066.db2.gz HDEFHFCXSHMTBX-GOSISDBHSA-N 2 0 331.479 3.137 10 0 EGAERP Cc1cc2c(cc1C)[C@@H]([NH2+]CCCC[N@@H+]1CCC[C@@H]1CO)CCCO2 ZINC000305156707 456530987 /nfs/dbraw/zinc/53/09/87/456530987.db2.gz VWLFNWNCQQHZCR-QUCCMNQESA-N 2 0 346.515 3.344 10 0 EGAERP CN(c1ccccc1C[NH2+][C@@H]1CSC1(C)C)C1CC[NH+](C)CC1 ZINC000282654720 456582784 /nfs/dbraw/zinc/58/27/84/456582784.db2.gz IDLFFSGYVBBPOB-GOSISDBHSA-N 2 0 333.545 3.201 10 0 EGAERP COC[C@H]([NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2)C1CC1 ZINC000658319732 462476689 /nfs/dbraw/zinc/47/66/89/462476689.db2.gz HMBVQOYQFVIFQO-UXHICEINSA-N 2 0 328.500 3.303 10 0 EGAERP C[C@@H](Cn1cccn1)[NH2+]C[C@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000658319827 462477031 /nfs/dbraw/zinc/47/70/31/462477031.db2.gz JGXAOARRBXIUPD-ICSRJNTNSA-N 2 0 338.499 3.164 10 0 EGAERP CCOc1c(OC)cc(C[NH2+][C@@H]2CC[N@H+](C)[C@H]3CCC[C@H]32)cc1OC ZINC000353494452 456713258 /nfs/dbraw/zinc/71/32/58/456713258.db2.gz CTEXHFGDJFMKMP-BBWFWOEESA-N 2 0 348.487 3.065 10 0 EGAERP C[N@@H+]1CC[C@H]([NH2+]CCCc2nc3c(s2)CCCC3)[C@H]2CCC[C@@H]21 ZINC000353498575 456716319 /nfs/dbraw/zinc/71/63/19/456716319.db2.gz RNRAIWDOHSSGJG-VYDXJSESSA-N 2 0 333.545 3.417 10 0 EGAERP Cc1cc([C@@H]([NH2+]CCCC[N@@H+]2CCC[C@H]2CO)C2CC2)ccc1F ZINC000359378204 457078065 /nfs/dbraw/zinc/07/80/65/457078065.db2.gz BUZOSGWLGHXECH-ICSRJNTNSA-N 2 0 334.479 3.412 10 0 EGAERP O=C(C[N@@H+]1CCCC2(CCCCC2)CC1)NC1CC[NH+](C2CC2)CC1 ZINC000346634608 457082404 /nfs/dbraw/zinc/08/24/04/457082404.db2.gz FTZHIZLGRGYXCO-UHFFFAOYSA-N 2 0 347.547 3.166 10 0 EGAERP Cc1noc(CCC[NH2+]C2C[C@H]3CC[C@@H](C2)[N@H+]3Cc2ccccc2)n1 ZINC000354155391 457097555 /nfs/dbraw/zinc/09/75/55/457097555.db2.gz LWJWXERIPMPEPQ-YQQQUEKLSA-N 2 0 340.471 3.096 10 0 EGAERP O=C(C[N@@H+]1CCC[C@H]1CCC1CCCC1)NC1CC[NH+](C2CC2)CC1 ZINC000362953515 457172596 /nfs/dbraw/zinc/17/25/96/457172596.db2.gz ZSRZRWAUHRGPDE-IBGZPJMESA-N 2 0 347.547 3.164 10 0 EGAERP OCc1ccc(C[NH2+][C@@H]2CC[C@@H]3C[N@H+](Cc4ccccc4)C[C@@H]23)cc1 ZINC000386208579 457428662 /nfs/dbraw/zinc/42/86/62/457428662.db2.gz MKXPCXVCBPBKPZ-YPAWHYETSA-N 2 0 336.479 3.179 10 0 EGAERP Cc1cc2c(cc1C)[C@H]([NH2+]CCN1CC[N@@H+](C)C(C)(C)C1)CCCO2 ZINC000374231626 457536297 /nfs/dbraw/zinc/53/62/97/457536297.db2.gz RNFYOZBAAXFFKU-LJQANCHMSA-N 2 0 345.531 3.133 10 0 EGAERP COc1ccc(C[C@H](C)[NH2+]C2CC([NH+]3CCCCC3)C2)cc1OC ZINC000370120291 457553558 /nfs/dbraw/zinc/55/35/58/457553558.db2.gz ISUNOXOTNHOPIO-ZLPCBKJTSA-N 2 0 332.488 3.241 10 0 EGAERP Cc1nc(CC[NH2+][C@@H]2CC[N@@H+](Cc3ccccc3)C[C@H]2C)c(C)o1 ZINC000357788859 457689845 /nfs/dbraw/zinc/68/98/45/457689845.db2.gz DFFWJBCIBKXNDL-DNVCBOLYSA-N 2 0 327.472 3.334 10 0 EGAERP c1ccc([C@H]2C[C@H]2[NH+]2CCC(CCC[NH+]3CCOCC3)CC2)cc1 ZINC000361347943 457701147 /nfs/dbraw/zinc/70/11/47/457701147.db2.gz FYMZWKYDTHPVEX-NHCUHLMSSA-N 2 0 328.500 3.367 10 0 EGAERP CC(C)[C@H]1C[C@@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)CS1 ZINC000364862674 457708539 /nfs/dbraw/zinc/70/85/39/457708539.db2.gz RIKKQWZITKIRMJ-QZTJIDSGSA-N 2 0 339.593 3.056 10 0 EGAERP C[C@@H]1CC(C)(C)C[N@@H+]1CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1 ZINC000412030697 458053168 /nfs/dbraw/zinc/05/31/68/458053168.db2.gz ACQZRZFKDFCANV-QGZVFWFLSA-N 2 0 343.515 3.019 10 0 EGAERP CC(C)[N@@H+](Cc1cccc(C[NH+]2CCCCC2)c1)C[C@@H]1CCC(=O)N1 ZINC000412083269 458085574 /nfs/dbraw/zinc/08/55/74/458085574.db2.gz PSKPBAGDDDVSIT-FQEVSTJZSA-N 2 0 343.515 3.162 10 0 EGAERP CCOC(=O)[C@@H]1CC[C@H]([NH2+]C2CC[NH+]([C@H]3CCC[C@@H](C)C3)CC2)C1 ZINC000436303909 458286146 /nfs/dbraw/zinc/28/61/46/458286146.db2.gz CQGBENOXPRMYRO-FPAYPSAMSA-N 2 0 336.520 3.351 10 0 EGAERP CC[C@H]([NH2+]C1CCN(c2cc[nH+]cc2)CC1)c1c(C)nn(C)c1C ZINC000436471073 458308798 /nfs/dbraw/zinc/30/87/98/458308798.db2.gz QFLJNFFHPPWQJF-SFHVURJKSA-N 2 0 327.476 3.142 10 0 EGAERP CC[N@@H+]1CC[C@@H]([NH+](C)CCC(=O)Nc2ccc(Cl)cc2)[C@@H](C)C1 ZINC000429350465 458319778 /nfs/dbraw/zinc/31/97/78/458319778.db2.gz QCBRWZXXUCMHOF-WMLDXEAASA-N 2 0 337.895 3.331 10 0 EGAERP CC[N@H+](CCC1CCN(Cc2cc(COC)on2)CC1)CC1CC1 ZINC000459354282 458340812 /nfs/dbraw/zinc/34/08/12/458340812.db2.gz GPISXFFGEQABHN-UHFFFAOYSA-N 2 0 335.492 3.155 10 0 EGAERP Brc1cccc2c1C[C@H]([NH2+]CCC[C@H]1CCC[NH2+]1)CC2 ZINC000423491307 458442010 /nfs/dbraw/zinc/44/20/10/458442010.db2.gz YYNFJBVGVYUBMQ-HUUCEWRRSA-N 2 0 337.305 3.428 10 0 EGAERP Fc1ccc2c(c1)[C@H]([NH2+]C1CCC([NH+]3CCNCC3)CC1)CCS2 ZINC000423500410 458444930 /nfs/dbraw/zinc/44/49/30/458444930.db2.gz BVPVUYRIPILNCJ-LEOMRAHMSA-N 2 0 349.519 3.169 10 0 EGAERP Fc1ccc([C@H]([NH2+]C2CCC([NH+]3CCNCC3)CC2)C2CC2)cc1 ZINC000423509062 458446174 /nfs/dbraw/zinc/44/61/74/458446174.db2.gz LFXZCZKCZUCMQF-SOAGJPPSSA-N 2 0 331.479 3.083 10 0 EGAERP CC(=O)Nc1ccc([C@@H](C)[NH2+]CC2([NH3+])C3CC4CC(C3)CC2C4)cc1 ZINC000423531743 458453752 /nfs/dbraw/zinc/45/37/52/458453752.db2.gz TYKGYVHJUNQBIA-OYIOTATGSA-N 2 0 341.499 3.449 10 0 EGAERP FC(F)(F)c1cnc2c(c1)[C@H]([NH2+][C@@H]1CC[C@@H]3C[NH2+]C[C@H]3C1)CCC2 ZINC000423549057 458455703 /nfs/dbraw/zinc/45/57/03/458455703.db2.gz RRRXDBYBJWIQSX-CTWCOEIASA-N 2 0 339.405 3.456 10 0 EGAERP COCCOc1ccc([C@H](C)NC2CC([NH+]3CCCCC3)C2)cc1 ZINC000373522381 458517821 /nfs/dbraw/zinc/51/78/21/458517821.db2.gz NAOWTHJCTTXMKD-IVMQYODDSA-N 2 0 332.488 3.379 10 0 EGAERP C[NH+](C)CCNC(=O)c1ccc(C[NH2+]CC2(C)CCCCCC2)cc1 ZINC000503575389 458715969 /nfs/dbraw/zinc/71/59/69/458715969.db2.gz CSOGTJKBHLSABM-UHFFFAOYSA-N 2 0 345.531 3.428 10 0 EGAERP CC(C)Oc1cccc(C[NH+]2CCC(CO[C@@H]3CC[NH2+]C3)CC2)c1 ZINC000530242466 458728208 /nfs/dbraw/zinc/72/82/08/458728208.db2.gz STXOOZMMYQVCQG-HXUWFJFHSA-N 2 0 332.488 3.064 10 0 EGAERP CCCCOc1ccccc1C[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000530247972 458730042 /nfs/dbraw/zinc/73/00/42/458730042.db2.gz FMJUCOAGFNYYAS-HXUWFJFHSA-N 2 0 346.515 3.456 10 0 EGAERP CC(C)N1CC[C@H]([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)[C@H]1c1ccc(F)c(F)c1 ZINC000566482156 458946991 /nfs/dbraw/zinc/94/69/91/458946991.db2.gz MMFBYRKSFZVOCM-VVWQDTPRSA-N 2 0 337.458 3.348 10 0 EGAERP COc1ccc([C@H]2C[C@@H]2[C@@H](C)[NH2+]C[C@@H]2CN(CC(C)C)CCO2)cc1 ZINC000557365656 459066443 /nfs/dbraw/zinc/06/64/43/459066443.db2.gz AEIPQQWRZHYDFX-QYRPDUKASA-N 2 0 346.515 3.134 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)C1 ZINC000558652247 459189851 /nfs/dbraw/zinc/18/98/51/459189851.db2.gz HZVKPPRNWQEADA-ROUUACIJSA-N 2 0 343.515 3.019 10 0 EGAERP CC[C@H](CN[C@H]1CC[N@H+](Cc2ccccc2)C[C@@H]1C)[NH+]1CCCC1 ZINC000480794398 459220175 /nfs/dbraw/zinc/22/01/75/459220175.db2.gz JALCZYSETDFXLA-TYPHKJRUSA-N 2 0 329.532 3.361 10 0 EGAERP CN1CC[NH+](CCCC[NH2+]CCc2ccc(C(C)(C)C)cc2)CC1 ZINC000582034749 459294839 /nfs/dbraw/zinc/29/48/39/459294839.db2.gz PZSNMPLEWJESJL-UHFFFAOYSA-N 2 0 331.548 3.144 10 0 EGAERP C[N@H+](CCNC(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C1CCCCC1 ZINC000483213606 459351590 /nfs/dbraw/zinc/35/15/90/459351590.db2.gz VYOUVRFNLJORLX-KRWDZBQOSA-N 2 0 335.536 3.022 10 0 EGAERP Brc1ccc2c(c1)[C@H]([NH2+]CC1CC[NH2+]CC1)CCCO2 ZINC000582414511 459360894 /nfs/dbraw/zinc/36/08/94/459360894.db2.gz XXCCCMJWEPWNMX-OAHLLOKOSA-N 2 0 339.277 3.252 10 0 EGAERP CC(C)(C)NC(=O)CC[NH2+][C@H]1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000499153886 459623147 /nfs/dbraw/zinc/62/31/47/459623147.db2.gz BFOPVGIAYWCFGT-REPLKXPHSA-N 2 0 343.515 3.076 10 0 EGAERP CC(C)(C(=O)Nc1ccc2c(c1F)CC[NH2+]C2)[C@H]([NH3+])c1ccccc1 ZINC000562809380 459652020 /nfs/dbraw/zinc/65/20/20/459652020.db2.gz RQCBAMRDIOLBKK-GOSISDBHSA-N 2 0 341.430 3.136 10 0 EGAERP C[C@@H]([NH2+]C[C@H](c1cccs1)N1CCN(C)CC1)[C@@H]1C[C@H]1C1CC1 ZINC000527630205 459677454 /nfs/dbraw/zinc/67/74/54/459677454.db2.gz ZJXYJUPKWVJIHS-LAVFITLUSA-N 2 0 333.545 3.061 10 0 EGAERP C[NH+]1CCC(C[NH2+]Cc2ccc(Br)c(F)c2F)CC1 ZINC000527652157 459685747 /nfs/dbraw/zinc/68/57/47/459685747.db2.gz BYWZDLJGGODJOF-UHFFFAOYSA-N 2 0 333.220 3.159 10 0 EGAERP FC(F)(F)OCC[NH2+][C@@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120924 459718023 /nfs/dbraw/zinc/71/80/23/459718023.db2.gz OQNFIIXASMFPIV-OAHLLOKOSA-N 2 0 328.378 3.310 10 0 EGAERP c1ccc(C[N@H+]2CC[C@@H](NCCC[NH+]3CCCC3)CC23CC3)cc1 ZINC000563119635 459718081 /nfs/dbraw/zinc/71/80/81/459718081.db2.gz AMGKDAMDMXAHDR-HXUWFJFHSA-N 2 0 327.516 3.259 10 0 EGAERP FC(F)(F)OCC[NH2+][C@H]1CCN(Cc2ccccc2)C2(CC2)C1 ZINC000563120923 459718570 /nfs/dbraw/zinc/71/85/70/459718570.db2.gz OQNFIIXASMFPIV-HNNXBMFYSA-N 2 0 328.378 3.310 10 0 EGAERP COc1ccc(CC[NH2+]C2CC[NH+]([C@H]3CCCC[C@H]3C)CC2)cn1 ZINC000527988508 459788638 /nfs/dbraw/zinc/78/86/38/459788638.db2.gz SWRXNONBILVABL-APWZRJJASA-N 2 0 331.504 3.265 10 0 EGAERP COC(=O)c1ccc(C[NH2+]Cc2ccc(F)c(C[NH+](C)C)c2)cc1F ZINC000597058170 459827794 /nfs/dbraw/zinc/82/77/94/459827794.db2.gz XJQGJGUACZYJAG-UHFFFAOYSA-N 2 0 348.393 3.103 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2CCSCc2ccccc2)C1 ZINC000593322636 459841124 /nfs/dbraw/zinc/84/11/24/459841124.db2.gz OLNYKQIYWRCDFN-QYZOEREBSA-N 2 0 334.529 3.281 10 0 EGAERP COC(=O)[C@@H]1CC[N@H+](Cc2ccc(-n3ccnc3)cc2)[C@@H]2CCC[C@@H]21 ZINC000599654134 460300238 /nfs/dbraw/zinc/30/02/38/460300238.db2.gz LWEWAAZNJDPIIB-GUDVDZBRSA-N 2 0 339.439 3.036 10 0 EGAERP CN(C)[C@@H](CN[C@H]1CC[N@H+](C)C(C)(C)C1)c1c(F)cccc1F ZINC000623420916 460539555 /nfs/dbraw/zinc/53/95/55/460539555.db2.gz SKXJATKAVMAWQM-BBRMVZONSA-N 2 0 325.447 3.030 10 0 EGAERP CCO[C@H](CC[NH+](C)C)C[NH2+][C@@H](C)c1cc(-c2ccccc2)n(C)n1 ZINC000623903291 460769047 /nfs/dbraw/zinc/76/90/47/460769047.db2.gz BKYJNFOHHGAOGA-FUHWJXTLSA-N 2 0 344.503 3.095 10 0 EGAERP C[N@@H+]1CC[C@@H](Nc2cccc(C[NH+]3CCC(CO)CC3)c2)CC1(C)C ZINC000623942888 460788902 /nfs/dbraw/zinc/78/89/02/460788902.db2.gz XMNOLVRGLJINPH-HXUWFJFHSA-N 2 0 345.531 3.176 10 0 EGAERP COC[C@@H](CCC[NH3+])[NH2+]CC/C=C/c1ccc(Br)cc1 ZINC000629513409 460789191 /nfs/dbraw/zinc/78/91/91/460789191.db2.gz IKAAUDJCHFFVEE-OUGHUQCRSA-N 2 0 341.293 3.196 10 0 EGAERP Cc1ccsc1[C@@H](Cc1ccccc1)[NH2+]CC1([NH3+])CCOCC1 ZINC000629524510 460796431 /nfs/dbraw/zinc/79/64/31/460796431.db2.gz NOEWHLATQXKMIY-QGZVFWFLSA-N 2 0 330.497 3.438 10 0 EGAERP C[NH2+]CCOCC[NH2+][C@@H]1CCCc2nc(-c3ccccc3F)sc21 ZINC000629528686 460797736 /nfs/dbraw/zinc/79/77/36/460797736.db2.gz GSGCTVYHCIEXQC-OAHLLOKOSA-N 2 0 349.475 3.152 10 0 EGAERP CC[NH+](CC)CC1CC[NH+](CCc2nc(-c3ccccc3)no2)CC1 ZINC000607151935 460799672 /nfs/dbraw/zinc/79/96/72/460799672.db2.gz XUGJASFHAZVUJC-UHFFFAOYSA-N 2 0 342.487 3.333 10 0 EGAERP CC[NH+](CC)CC(=O)Nc1cccc(N[C@H]2CC[N@H+](C)C(C)(C)C2)c1 ZINC000623983918 460810144 /nfs/dbraw/zinc/81/01/44/460810144.db2.gz RHISTLGBJSOWMT-SFHVURJKSA-N 2 0 346.519 3.252 10 0 EGAERP COc1ccc([C@H]2CC[N@H+](Cc3cccc4c3CC[NH2+]C4)C2)cc1F ZINC000629589660 460817542 /nfs/dbraw/zinc/81/75/42/460817542.db2.gz ZTRJCJDRHCZEKG-KRWDZBQOSA-N 2 0 340.442 3.470 10 0 EGAERP c1ccc2c(c1)CC[C@@H]2CC[NH+]1CCC(CO[C@@H]2CC[NH2+]C2)CC1 ZINC000629591604 460818815 /nfs/dbraw/zinc/81/88/15/460818815.db2.gz KQBFSGJYKQCDGR-WOJBJXKFSA-N 2 0 328.500 3.197 10 0 EGAERP CC[NH2+]Cc1ccccc1NC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000632950575 460903690 /nfs/dbraw/zinc/90/36/90/460903690.db2.gz MZIDYNAYPLPIQM-UHFFFAOYSA-N 2 0 332.492 3.134 10 0 EGAERP COc1ccc([C@@H]2CCCCC[N@@H+]2C[C@H]2CCC3(C[NH2+]C3)O2)cc1 ZINC000662249734 461141825 /nfs/dbraw/zinc/14/18/25/461141825.db2.gz YZXSHESYEPJJJD-MOPGFXCFSA-N 2 0 330.472 3.133 10 0 EGAERP Fc1cccc(CC[N@H+](C[C@H]2CCC3(C[NH2+]C3)O2)C2CCCC2)c1 ZINC000662258542 461148328 /nfs/dbraw/zinc/14/83/28/461148328.db2.gz JRUWBIPHBIHYGK-LJQANCHMSA-N 2 0 332.463 3.134 10 0 EGAERP [NH3+][C@@H]1CCO[C@H]([C@@H]2CCCC[N@@H+]2Cc2cc(F)cc3cccnc32)C1 ZINC000652363040 461156602 /nfs/dbraw/zinc/15/66/02/461156602.db2.gz VZYLBQCLAWGHLC-QYZOEREBSA-N 2 0 343.446 3.235 10 0 EGAERP CC[NH+](CC)CCOc1ccc(NC(=O)C2([NH3+])CC3(CCC3)C2)cc1 ZINC000662672557 461344192 /nfs/dbraw/zinc/34/41/92/461344192.db2.gz BOWASWINOJXQNG-UHFFFAOYSA-N 2 0 345.487 3.007 10 0 EGAERP CC(C)[C@@H](O)[C@@H]([NH2+]Cc1ccnn1-c1cc[nH+]cc1)c1ccccc1 ZINC000668690115 461385009 /nfs/dbraw/zinc/38/50/09/461385009.db2.gz STOIZNXXYQUYDQ-VQTJNVASSA-N 2 0 336.439 3.115 10 0 EGAERP COc1cc([C@@H](C)[NH2+]C[C@@H]2C[N@H+](C)C[C@H]2c2ccccc2)ccn1 ZINC000655779480 461443877 /nfs/dbraw/zinc/44/38/77/461443877.db2.gz MFDOVKYSVXMENE-LZQZEXGQSA-N 2 0 325.456 3.086 10 0 EGAERP Cc1c([C@@H](C)[NH2+]C[C@H]2C[C@@H]([NH+](C)C)C2)nnn1-c1ccc(Cl)cc1 ZINC000655805092 461464241 /nfs/dbraw/zinc/46/42/41/461464241.db2.gz BQNYBKMTSCMWDD-MRRJBJDNSA-N 2 0 347.894 3.220 10 0 EGAERP COCC1(C[NH2+][C@@H]2CC[N@H+](Cc3ccccc3)[C@@H]3CCC[C@H]32)CC1 ZINC000655816226 461472366 /nfs/dbraw/zinc/47/23/66/461472366.db2.gz ROSYJZCZVCYVLS-XUVXKRRUSA-N 2 0 328.500 3.446 10 0 EGAERP CC1(C)CCCN(c2ccnc(N3CCC[C@@H](n4ccnc4)C3)n2)C1 ZINC000656119085 461602296 /nfs/dbraw/zinc/60/22/96/461602296.db2.gz ULLBSYFNIGDTGD-MRXNPFEDSA-N 2 0 340.475 3.141 10 0 EGAERP CC(C)C[C@H]([NH2+]C[C@@H](C(C)C)N1CC[NH+](C)CC1)c1ccncc1 ZINC000647282289 461608605 /nfs/dbraw/zinc/60/86/05/461608605.db2.gz LXDHVYTXHNLZLJ-PMACEKPBSA-N 2 0 332.536 3.030 10 0 EGAERP C[N@@H+]1C[C@@H](C[NH2+][C@@H]2CCc3cccnc3CC2)[C@H](c2ccccc2)C1 ZINC000647343873 461647844 /nfs/dbraw/zinc/64/78/44/461647844.db2.gz DXRXFWYQNIMONA-NJYVYQBISA-N 2 0 335.495 3.264 10 0 EGAERP Cc1nn(-c2ccc(F)cc2F)c(C)c1C[NH2+]CC[C@@H]([NH3+])C(C)C ZINC000663501009 461674369 /nfs/dbraw/zinc/67/43/69/461674369.db2.gz XSZXYMUVJONGCA-QGZVFWFLSA-N 2 0 336.430 3.230 10 0 EGAERP COc1cc2ccnc(N3CC[C@@H]([NH+]4CCCCC4)C3)c2cc1OC ZINC000663576797 461710063 /nfs/dbraw/zinc/71/00/63/461710063.db2.gz HFRZJXZXDLGWJQ-MRXNPFEDSA-N 2 0 341.455 3.317 10 0 EGAERP CC(C)(C[NH2+][C@@H]1C[C@@]2(CC[NH2+]C2)Oc2ccccc21)[C@@H]1CCCCO1 ZINC000643466585 461736434 /nfs/dbraw/zinc/73/64/34/461736434.db2.gz CZSIIIYYOXNKRF-SLYNCCJLSA-N 2 0 344.499 3.427 10 0 EGAERP C[NH+]1CCC(N2CC[C@H]([NH2+][C@@H](C3CCC3)C3CCCCC3)C2)CC1 ZINC000643883254 461826195 /nfs/dbraw/zinc/82/61/95/461826195.db2.gz GSVMWKVFFRHDLG-PZJWPPBQSA-N 2 0 333.564 3.494 10 0 EGAERP C[C@H](CCc1ccccc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000656679328 461838236 /nfs/dbraw/zinc/83/82/36/461838236.db2.gz XFERDAHZISDMBN-GOSISDBHSA-N 2 0 330.516 3.488 10 0 EGAERP C[C@@H]1C[NH2+]CC[C@@H]1[NH2+]Cc1ccc(OCc2cccc(F)c2)cc1 ZINC000666878534 461849122 /nfs/dbraw/zinc/84/91/22/461849122.db2.gz JHVAFOAMLKRIFU-QRWLVFNGSA-N 2 0 328.431 3.492 10 0 EGAERP Cn1cncc1CCC[N@@H+]1CCC[C@@H]2O[C@H](c3ccccc3)C[C@@H]21 ZINC000653780097 461854248 /nfs/dbraw/zinc/85/42/48/461854248.db2.gz VDSXIHNUQYBOFY-UFYCRDLUSA-N 2 0 325.456 3.347 10 0 EGAERP CCc1ccccc1NC(=O)C[C@@H](C)[NH2+]Cc1ccccc1C[NH2+]C ZINC000650719191 461911200 /nfs/dbraw/zinc/91/12/00/461911200.db2.gz HEISDPDZZMCARC-MRXNPFEDSA-N 2 0 339.483 3.475 10 0 EGAERP C[C@@H](Cc1ccc(F)cc1Br)[NH2+]CCC1(C[NH3+])CC1 ZINC000650746863 461930401 /nfs/dbraw/zinc/93/04/01/461930401.db2.gz MLOVRJCYMMZHKB-NSHDSACASA-N 2 0 329.257 3.238 10 0 EGAERP [NH3+]CC1(CC[NH2+][C@@H]2CCCOc3c(Br)cccc32)CC1 ZINC000650745873 461930589 /nfs/dbraw/zinc/93/05/89/461930589.db2.gz PTNGNDKBJYQVPK-CQSZACIVSA-N 2 0 339.277 3.381 10 0 EGAERP C[NH2+]Cc1ccccc1C[NH2+][C@@H](C)c1ccc2c(c1)OCCCO2 ZINC000650757816 461938942 /nfs/dbraw/zinc/93/89/42/461938942.db2.gz BIHOITGKUFBRTB-HNNXBMFYSA-N 2 0 326.440 3.418 10 0 EGAERP CC[N@H+](C)Cc1cccc(C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657348371 462062808 /nfs/dbraw/zinc/06/28/08/462062808.db2.gz TXQHBYBJSVSRRP-UHFFFAOYSA-N 3 0 335.455 3.009 10 0 EGAERP Cc1ccc2cc(C[NH2+]CCCC[NH+]3C[C@H](C)O[C@@H](C)C3)[nH]c2c1 ZINC000657368463 462076120 /nfs/dbraw/zinc/07/61/20/462076120.db2.gz WWTBQNOZANCBEM-IRXDYDNUSA-N 2 0 329.488 3.455 10 0 EGAERP COc1cccc([C@@H]2C[C@H]2C[NH2+]Cc2ccnn2-c2cc[nH+]cc2)c1 ZINC000657494436 462154951 /nfs/dbraw/zinc/15/49/51/462154951.db2.gz AQIDZRASVJCVNX-JXFKEZNVSA-N 2 0 334.423 3.169 10 0 EGAERP C[C@@H]1C[C@@H]([NH2+][C@@H]2CC[C@H]3C[N@H+](Cc4ccccc4)C[C@H]32)C[C@H](C)O1 ZINC000648515093 462156184 /nfs/dbraw/zinc/15/61/84/462156184.db2.gz UUYSRAQLRODBNB-HWGFASNLSA-N 2 0 328.500 3.443 10 0 EGAERP c1cc2c(c(C[NH2+]CC3CC[NH+](C4CCOCC4)CC3)c1)CCC2 ZINC000657537600 462172261 /nfs/dbraw/zinc/17/22/61/462172261.db2.gz QEOQPCIGPDFFJN-UHFFFAOYSA-N 2 0 328.500 3.156 10 0 EGAERP CC[NH+]1CCN([C@H](C)C[NH2+][C@H]2CCc3ccc(F)c(Cl)c32)CC1 ZINC000651677524 462300155 /nfs/dbraw/zinc/30/01/55/462300155.db2.gz LBPUGMNOTWSAFZ-CJNGLKHVSA-N 2 0 339.886 3.082 10 0 EGAERP OC[C@H]1CCC[N@@H+]1CCCC[NH2+][C@H]1CCc2ccc(F)c(Cl)c21 ZINC000651713791 462312288 /nfs/dbraw/zinc/31/22/88/462312288.db2.gz DOTGESZRRRAQPY-ZBFHGGJFSA-N 2 0 340.870 3.293 10 0 EGAERP C[C@@H]1C[N@@H+](Cc2ccccc2)C[C@H](C)[C@H]1[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667896113 462312600 /nfs/dbraw/zinc/31/26/00/462312600.db2.gz JWTJABFFRNEUOQ-FVESOWDASA-N 2 0 328.500 3.300 10 0 EGAERP C[C@@H](Nc1c[nH+]ccc1N1CC[NH+](C)CC1)c1cc2cnccc2o1 ZINC000657955895 462327894 /nfs/dbraw/zinc/32/78/94/462327894.db2.gz QZLPHLSOHPJSDB-CQSZACIVSA-N 2 0 337.427 3.148 10 0 EGAERP CC(C)C[N@H+](C)CCCN[C@H](C)[C@H]1CC[NH+](Cc2ccccc2)C1 ZINC000651864709 462360068 /nfs/dbraw/zinc/36/00/68/462360068.db2.gz BGMUZBVKVWFLER-CTNGQTDRSA-N 2 0 331.548 3.465 10 0 EGAERP CC(C)C[N@H+](C)CCCN[C@@H](C)[C@@H]1CC[NH+](Cc2ccccc2)C1 ZINC000651864711 462360622 /nfs/dbraw/zinc/36/06/22/462360622.db2.gz BGMUZBVKVWFLER-PZJWPPBQSA-N 2 0 331.548 3.465 10 0 EGAERP C[C@@H](CCCc1cccnc1)[NH2+]CC1CC[NH+](C2CCOCC2)CC1 ZINC000658069538 462366604 /nfs/dbraw/zinc/36/66/04/462366604.db2.gz GXDVNLDIRDPDLD-SFHVURJKSA-N 2 0 345.531 3.273 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277226 462380168 /nfs/dbraw/zinc/38/01/68/462380168.db2.gz XAODXVIMWVOBQF-HBMCJLEFSA-N 3 0 341.543 3.396 10 0 EGAERP [NH3+]C[C@@H]1CCCC[C@H]1[NH2+]C[C@@H]1C[N@H+](Cc2ccccc2)CC12CCC2 ZINC000665277228 462380556 /nfs/dbraw/zinc/38/05/56/462380556.db2.gz XAODXVIMWVOBQF-PWRODBHTSA-N 3 0 341.543 3.396 10 0 EGAERP C[C@@H](CN(C)CCC[NH+](C)C)[NH2+][C@@H](C)c1cnc2ccsc2c1 ZINC000658108759 462389013 /nfs/dbraw/zinc/38/90/13/462389013.db2.gz QDGFXSZHWXNANA-GJZGRUSLSA-N 2 0 334.533 3.219 10 0 EGAERP CC1(C)[C@H]2CCC[C@H]2[C@@H]1[NH2+]Cc1ccc(C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000658137405 462400160 /nfs/dbraw/zinc/40/01/60/462400160.db2.gz KRSRCVSQJJVPAO-ZRNYENFQSA-N 2 0 328.500 3.168 10 0 EGAERP O[C@@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H]3CCCc4sccc43)cc2)C1 ZINC000658136672 462400686 /nfs/dbraw/zinc/40/06/86/462400686.db2.gz DSZOLJGWMMFKSL-IEBWSBKVSA-N 2 0 342.508 3.482 10 0 EGAERP O[C@H]1CC[N@H+](Cc2ccc(C[NH2+][C@@H](c3ccccc3)C3CC3)cc2)C1 ZINC000658139210 462402776 /nfs/dbraw/zinc/40/27/76/462402776.db2.gz PKTFCVLULKNFKF-VXKWHMMOSA-N 2 0 336.479 3.494 10 0 EGAERP FC1(F)C[C@H]1OCC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1ccccc1 ZINC000658168633 462416388 /nfs/dbraw/zinc/41/63/88/462416388.db2.gz IPUUIELSWNNOCW-HQSKLWIPSA-N 2 0 336.426 3.196 10 0 EGAERP CC(=O)N1CC[C@H]([NH2+]CCC[N@@H+](C)CC(C)C)c2ccccc2C1 ZINC000652222802 462477957 /nfs/dbraw/zinc/47/79/57/462477957.db2.gz YIQCVIHXBOEFQJ-FQEVSTJZSA-N 2 0 331.504 3.047 10 0 EGAERP CC(C)[NH+]1CCN(CCC[NH2+]C2(c3ccccc3F)CCC2)CC1 ZINC000646024782 462499357 /nfs/dbraw/zinc/49/93/57/462499357.db2.gz NQPSUXJTRVMSCJ-UHFFFAOYSA-N 2 0 333.495 3.211 10 0 EGAERP O[C@H]1CC[N@@H+](C2CC[NH+](C[C@@H]3CC[C@@H](c4ccccc4)C3)CC2)C1 ZINC000662150292 462531839 /nfs/dbraw/zinc/53/18/39/462531839.db2.gz UKKIDPGZTXXQNU-QFUCXCTJSA-N 2 0 328.500 3.101 10 0 EGAERP CC[NH+]1CCN(C[C@H](C)C[NH2+][C@H]2CC[C@H](c3ccccc3)C2)CC1 ZINC000131190688 529148742 /nfs/dbraw/zinc/14/87/42/529148742.db2.gz JSOVPKUPJKJQBO-GIVPXCGWSA-N 2 0 329.532 3.186 10 0 EGAERP CCC[NH+]1CCN(c2ccccc2C[NH2+]CCC2(OC)CCC2)CC1 ZINC000339455206 534936306 /nfs/dbraw/zinc/93/63/06/534936306.db2.gz PFMCKEWPHGUXCZ-UHFFFAOYSA-N 2 0 345.531 3.267 10 0 EGAERP CN(CC[C@@H]1CCCC[N@@H+]1C)C(=O)c1cccc(C[NH+]2CCCC2)c1 ZINC000266119062 536403272 /nfs/dbraw/zinc/40/32/72/536403272.db2.gz IOXNMVPEMIWTCV-FQEVSTJZSA-N 2 0 343.515 3.229 10 0 EGAERP C[N@@H+]1CCC[C@H](CNC2C[C@H]3CC[C@@H](C2)[NH+]3Cc2ccccc2)C1 ZINC000180139079 547052994 /nfs/dbraw/zinc/05/29/94/547052994.db2.gz WASIGCXEHVAHAI-WVVQBRDUSA-N 2 0 327.516 3.113 10 0 EGAERP COc1cc(C[N@@H+]2CCC[C@H]2Cn2ccnc2)c(SC)cc1OC ZINC000188417401 547148977 /nfs/dbraw/zinc/14/89/77/547148977.db2.gz WQXQEILTDVHHHV-HNNXBMFYSA-N 2 0 347.484 3.287 10 0 EGAERP c1ccc(C[NH+]2CCCC[C@@H]2CN[C@H]2CC[N@@H+]3CCC[C@H]3C2)cc1 ZINC000339068275 547568116 /nfs/dbraw/zinc/56/81/16/547568116.db2.gz NZPPWCQKUNNNSY-PCCBWWKXSA-N 2 0 327.516 3.258 10 0 EGAERP Cn1cc([C@H]([NH2+]Cc2ccc(OCC[NH+](C)C)cc2)C(C)(C)C)cn1 ZINC000673931631 548655752 /nfs/dbraw/zinc/65/57/52/548655752.db2.gz JZJPSGIRFGPKNG-IBGZPJMESA-N 2 0 344.503 3.238 10 0 EGAERP CC[NH+]1CCC(C[NH2+][C@H](C)c2ccc(-n3cncn3)cc2Cl)CC1 ZINC000675818899 548988111 /nfs/dbraw/zinc/98/81/11/548988111.db2.gz NDQXMUCUKCKLEO-CQSZACIVSA-N 2 0 347.894 3.303 10 0 EGAERP CN1CC[NH+](CC2(C)CC[NH+]([C@@H]3CCc4ccccc43)CC2)CC1 ZINC000682077313 550069828 /nfs/dbraw/zinc/06/98/28/550069828.db2.gz OZHAXJXEPKRAMV-HXUWFJFHSA-N 2 0 327.516 3.023 10 0 EGAERP C[C@@H]1C[N@H+](Cc2ccc(OCC[NH+]3CCCC3)cc2)[C@H](C)[C@H](C)O1 ZINC000682169096 550081437 /nfs/dbraw/zinc/08/14/37/550081437.db2.gz NUFPSBMSZIFPHW-KURKYZTESA-N 2 0 332.488 3.159 10 0 EGAERP CC[N@@H+]1CCC[C@H]1CN(CC[NH+](C)C)Cc1cccc2cnccc21 ZINC000685455973 550418440 /nfs/dbraw/zinc/41/84/40/550418440.db2.gz GHBJHHIAVDHHMJ-FQEVSTJZSA-N 2 0 340.515 3.083 10 0 EGAERP O=C(CCCC[NH+]1CCCC1)N1CCC[C@H](C[NH+]2CCCCCC2)C1 ZINC000729372467 574847577 /nfs/dbraw/zinc/84/75/77/574847577.db2.gz XOWCFYPZGGVVQS-HXUWFJFHSA-N 2 0 349.563 3.367 10 0 EGAERP [NH3+][C@@H]1CC[C@@H]2CN(Cc3cccc(Cl)c3Br)C[C@H]12 ZINC000719432404 1298317616 /nfs/dbraw/zinc/31/76/16/1298317616.db2.gz AJSSHAAGYFRUSY-SUZMYJTESA-N 2 0 329.669 3.272 10 0 EGAERP CC1CC[NH+](CCCNC2CC[NH+](Cc3ccccc3)CC2)CC1 ZINC000072786460 1292290895 /nfs/dbraw/zinc/29/08/95/1292290895.db2.gz MBCYKJDOVPGHBW-UHFFFAOYSA-N 2 0 329.532 3.363 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccc(NC(=O)CCC34CC(C3)C[NH2+]4)cc2)C1 ZINC000870865685 1296121253 /nfs/dbraw/zinc/12/12/53/1296121253.db2.gz CFGXDIOFGAPBHO-AFJQURTJSA-N 2 0 341.499 3.389 10 0 EGAERP C[NH+](C)C1(C)CCC(NC(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC000871360229 1296368489 /nfs/dbraw/zinc/36/84/89/1296368489.db2.gz MTYXZNOIUYCNPV-IPCDKGFNSA-N 2 0 335.536 3.163 10 0 EGAERP C[C@H]([NH2+]CC1(N2CCCCC2)CC[NH+](C)CC1)c1cccc(O)c1F ZINC000872037678 1296686888 /nfs/dbraw/zinc/68/68/88/1296686888.db2.gz DRBIIPMQRYKRBC-INIZCTEOSA-N 2 0 349.494 3.132 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@@H]2CCC[C@@H]2O1)c1cccc(OCC[NH+](C)C)c1 ZINC000872110402 1296736906 /nfs/dbraw/zinc/73/69/06/1296736906.db2.gz YQOLSPCUTXFJLD-UHMOLFJZSA-N 2 0 332.488 3.235 10 0 EGAERP C[NH+](C)C1(C)CCC([NH2+]C[C@H](O)c2ccc(Cl)c(F)c2)CC1 ZINC000872230011 1296833474 /nfs/dbraw/zinc/83/34/74/1296833474.db2.gz UXVHFIDUUAIZST-PWZRNIHTSA-N 2 0 328.859 3.365 10 0 EGAERP C[N@@H+]1CCC[C@H]([NH2+]C[C@@H](NC(=O)OC(C)(C)C)c2ccccc2)CC1 ZINC000310638653 1297097231 /nfs/dbraw/zinc/09/72/31/1297097231.db2.gz GGEIWYWIWPGVCX-ZWKOTPCHSA-N 2 0 347.503 3.326 10 0 EGAERP CC[NH+](CC)CCC[NH2+][C@@H]1CC[C@H](C)N(C(=O)OC(C)(C)C)C1 ZINC000399029296 1297723538 /nfs/dbraw/zinc/72/35/38/1297723538.db2.gz IUGMHPGBYQIMGT-JKSUJKDBSA-N 2 0 327.513 3.096 10 0 EGAERP C[N@@H+](Cc1csc(Br)c1)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000699292630 1298169242 /nfs/dbraw/zinc/16/92/42/1298169242.db2.gz XJILLZHCZNCDSY-VGPLMAKISA-N 2 0 329.307 3.473 10 0 EGAERP C[N@H+](CC1CC[NH+](Cc2ccccc2)CC1)CC1(C)CC[NH2+]CC1 ZINC000719875808 1298324045 /nfs/dbraw/zinc/32/40/45/1298324045.db2.gz XOYUCLSGNJMQPD-UHFFFAOYSA-N 3 0 329.532 3.220 10 0 EGAERP c1ccc(C[NH+]2CCC(CC[NH2+][C@@H]3CO[C@@H](C4CC4)C3)CC2)cc1 ZINC000877697188 1299487616 /nfs/dbraw/zinc/48/76/16/1299487616.db2.gz HQDRWLQJCJKNMB-LEWJYISDSA-N 2 0 328.500 3.446 10 0 EGAERP c1cc(OCC[NH+]2CCCC2)ccc1C[NH2+]C[C@H]1CCC2(CCC2)O1 ZINC000883365382 1302416098 /nfs/dbraw/zinc/41/60/98/1302416098.db2.gz ZUDWKLWGRBCSAP-HXUWFJFHSA-N 2 0 344.499 3.353 10 0 EGAERP c1cc(OC[C@H]2CCCO2)ccc1C[N@@H+]1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000886872423 1303621341 /nfs/dbraw/zinc/62/13/41/1303621341.db2.gz RXIFBINYDDOQDL-NHCUHLMSSA-N 2 0 344.499 3.210 10 0 EGAERP C[NH+](C)CCOc1ccc(C[N@@H+]2CC[C@H](c3nccs3)C2)cc1 ZINC000895581561 1309412599 /nfs/dbraw/zinc/41/25/99/1309412599.db2.gz BBJCSYDRTGIJCP-INIZCTEOSA-N 2 0 331.485 3.073 10 0 EGAERP CC[C@H](C)[C@@H](C[NH2+]CCC1(O)CC[NH+](Cc2ccccc2)CC1)OC ZINC000895650104 1309447932 /nfs/dbraw/zinc/44/79/32/1309447932.db2.gz ULTPCHMWEGCDFK-AZUAARDMSA-N 2 0 348.531 3.054 10 0 EGAERP c1ccc([C@]2(C[NH2+]C3CCN(c4cc[nH+]cc4)CC3)CCCO2)cc1 ZINC000897236539 1310237214 /nfs/dbraw/zinc/23/72/14/1310237214.db2.gz MPCOOLUQPHAIEI-OAQYLSRUSA-N 2 0 337.467 3.346 10 0 EGAERP c1ccc(C[N@@H+]2C[C@@H]3C[C@@H]([NH2+]CCC[C@@H]4CCO4)CC[C@@H]3C2)cc1 ZINC000898518978 1310774402 /nfs/dbraw/zinc/77/44/02/1310774402.db2.gz LJPZDKRKJHGDAX-IVAOSVALSA-N 2 0 328.500 3.446 10 0 EGAERP FC(F)(F)[C@H]1CCC[C@H](C[NH+]2CCC(C[NH+]3CCCC3)CC2)O1 ZINC000929274985 1328554806 /nfs/dbraw/zinc/55/48/06/1328554806.db2.gz DGRVXKYSUMCOHJ-HZPDHXFCSA-N 2 0 334.426 3.294 10 0 EGAERP C[C@@H](C[NH+]1CCC(C[NH+]2CCCC2)CC1)C(=O)c1ccc(O)cc1 ZINC000929274836 1328554997 /nfs/dbraw/zinc/55/49/97/1328554997.db2.gz BUSNZGPBQUCMFK-INIZCTEOSA-N 2 0 330.472 3.019 10 0 EGAERP CC(C)(C)[NH2+]CCC(=O)NCc1ccccc1C[NH+]1CCCCC1 ZINC000929507851 1328621003 /nfs/dbraw/zinc/62/10/03/1328621003.db2.gz MDLNMSFKSHDEJO-UHFFFAOYSA-N 2 0 331.504 3.067 10 0 EGAERP COC(=O)C1=CC[C@H]([NH2+]C2CCC([N@H+](C)Cc3ccccc3)CC2)C1 ZINC000858473898 1328772314 /nfs/dbraw/zinc/77/23/14/1328772314.db2.gz RPKVBMUPWYRVMF-GPJFCIFZSA-N 2 0 342.483 3.281 10 0 EGAERP CC(C)[NH+]1CCN(C2CC[NH+](C[C@H]3CC4CCC3CC4)CC2)CC1 ZINC000930130666 1328793167 /nfs/dbraw/zinc/79/31/67/1328793167.db2.gz RXDYQUOJQZREEL-SOAGJPPSSA-N 2 0 333.564 3.303 10 0 EGAERP CC(C)Cc1ccccc1C[N@@H+]1CC[C@@H](N2CC[NH+](C)CC2)[C@H](C)C1 ZINC000930135872 1328795105 /nfs/dbraw/zinc/79/51/05/1328795105.db2.gz HMYHACDGQNWDIY-DENIHFKCSA-N 2 0 343.559 3.343 10 0 EGAERP c1cc(CCN2CC[C@]3(CC[N@H+](Cc4ccccc4)C3)C2)sn1 ZINC000930458124 1328860911 /nfs/dbraw/zinc/86/09/11/1328860911.db2.gz RPKVAZHETUMZJF-IBGZPJMESA-N 2 0 327.497 3.284 10 0 EGAERP C[NH+]1CCC2(CCC[N@H+](Cc3ccncc3Br)C2)CC1 ZINC000859292263 1328962062 /nfs/dbraw/zinc/96/20/62/1328962062.db2.gz VUZHLRACRDOADR-UHFFFAOYSA-N 2 0 338.293 3.152 10 0 EGAERP C[C@H]1CCC[N@H+](Cc2ccccc2C[NH2+]Cc2cnn(CCF)c2)C1 ZINC000921537003 1322344881 /nfs/dbraw/zinc/34/48/81/1322344881.db2.gz SURBBQKAHZATGO-KRWDZBQOSA-N 2 0 344.478 3.374 10 0 EGAERP CS[C@@H]1CCC[C@H]([NH2+]CC2(N3CCCCC3)CC[NH+](C)CC2)C1 ZINC000921792378 1322398787 /nfs/dbraw/zinc/39/87/87/1322398787.db2.gz WYIGTFBPGXRMJU-ZWKOTPCHSA-N 2 0 339.593 3.201 10 0 EGAERP CCCC[N@H+](C[C@@H]1CCc2ncnn21)C1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000931032890 1329033972 /nfs/dbraw/zinc/03/39/72/1329033972.db2.gz BAZAGMKYOCHVCF-HNNXBMFYSA-N 2 0 333.524 3.177 10 0 EGAERP COc1cc(C)c(C[N@H+](C)CCC2C[C@H]3CC[C@@H](C2)[NH2+]3)cc1OC ZINC000923301134 1322728961 /nfs/dbraw/zinc/72/89/61/1322728961.db2.gz DQMNBGROQHXFLF-ZNXRZULTSA-N 2 0 332.488 3.365 10 0 EGAERP [NH3+]CC[C@@H]1CCC[N@H+](C[C@@H]2Cc3ccccc3O[C@H]2C(F)(F)F)C1 ZINC000923349198 1322739463 /nfs/dbraw/zinc/73/94/63/1322739463.db2.gz QHIWIFSSNVBWOJ-JLJPHGGASA-N 2 0 342.405 3.229 10 0 EGAERP Cc1ccsc1[C@H](Cc1ccccc1)[NH2+]C[C@@H]1CC2(C[NH2+]C2)CO1 ZINC000923376711 1322742084 /nfs/dbraw/zinc/74/20/84/1322742084.db2.gz DYCGLWLXKOYRKV-ROUUACIJSA-N 2 0 342.508 3.308 10 0 EGAERP [NH3+]C[C@@H]1CC2(CO1)CC[NH+](CCOc1cccc3ccccc31)CC2 ZINC000923448700 1322753256 /nfs/dbraw/zinc/75/32/56/1322753256.db2.gz GLDQOVDOWGJCLG-SFHVURJKSA-N 2 0 340.467 3.048 10 0 EGAERP FC(F)C(F)(F)COCC[NH+]1CCC([C@@H]2CCC[NH2+]CC2)CC1 ZINC000923506505 1322765736 /nfs/dbraw/zinc/76/57/36/1322765736.db2.gz JBMICRVCJAUULI-CYBMUJFWSA-N 2 0 340.405 3.005 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]Cc2cccc(C[NH+](C)C)c2)n(C)n1 ZINC000924606875 1323072929 /nfs/dbraw/zinc/07/29/29/1323072929.db2.gz GLKNEGJIHLSLFL-CTNGQTDRSA-N 2 0 340.515 3.291 10 0 EGAERP C[C@H]([NH2+]C1CCN(CC[NH+](C)C)CC1)c1csc(C(F)(F)F)c1 ZINC000924630984 1323084144 /nfs/dbraw/zinc/08/41/44/1323084144.db2.gz CLJCISLSNZWTDP-LBPRGKRZSA-N 2 0 349.466 3.444 10 0 EGAERP c1ccc(C[C@H](Cc2cccnc2)[NH2+]C[C@@H]2CC[N@@H+](C3CC3)C2)cc1 ZINC000924647992 1323091946 /nfs/dbraw/zinc/09/19/46/1323091946.db2.gz JYFHJCPOVJPABU-LEWJYISDSA-N 2 0 335.495 3.309 10 0 EGAERP CC[NH+]1CCN([C@@H](C)C[NH2+][C@H](C)c2csc(C(F)(F)F)c2)CC1 ZINC000924674135 1323105895 /nfs/dbraw/zinc/10/58/95/1323105895.db2.gz YCWTUCKKNIZHMJ-QWHCGFSZSA-N 2 0 349.466 3.444 10 0 EGAERP C[NH+](C)CCOc1cccc(C[NH2+][C@H]2CCc3c2nccc3Cl)c1 ZINC000924704412 1323123291 /nfs/dbraw/zinc/12/32/91/1323123291.db2.gz OWLNVIIQPOJVFK-SFHVURJKSA-N 2 0 345.874 3.453 10 0 EGAERP C[C@@H]([NH2+]Cc1cccc(OCC[NH+](C)C)c1)c1ccnn1C1CCC1 ZINC000924705586 1323124222 /nfs/dbraw/zinc/12/42/22/1323124222.db2.gz XIPQKTYKHNGTCN-MRXNPFEDSA-N 2 0 342.487 3.399 10 0 EGAERP c1ccc(CC[N@@H+]2CC[C@H](C[NH2+][C@H](C3CC3)[C@H]3CCCOC3)C2)cc1 ZINC000924939754 1323221915 /nfs/dbraw/zinc/22/19/15/1323221915.db2.gz XGDBRLHUQXLERM-BAGYTPMASA-N 2 0 342.527 3.346 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H]([NH2+]C[C@H]2CCN(c3ccc(F)c(F)c3)C2)C1 ZINC000925486417 1325172793 /nfs/dbraw/zinc/17/27/93/1325172793.db2.gz REUAMASRSUJDAP-RBSFLKMASA-N 2 0 337.458 3.287 10 0 EGAERP Cc1nc2ccccc2n1CCC[NH2+][C@@H]1[C@@H]2CCC[NH2+][C@@H]2C1(C)C ZINC000925508564 1325183399 /nfs/dbraw/zinc/18/33/99/1325183399.db2.gz HDZGMIRXYAOSBE-AYOQOUSVSA-N 2 0 326.488 3.101 10 0 EGAERP CC1(C)C[C@H]([NH3+])C[C@@H](NC[C@@H]2CCC[N@H+](Cc3ccccc3)C2)C1 ZINC000925519784 1325188078 /nfs/dbraw/zinc/18/80/78/1325188078.db2.gz JTLJHHSCJBNFPN-XUVXKRRUSA-N 2 0 329.532 3.394 10 0 EGAERP C[C@@H]1C[C@H](N[C@H]2[C@@H]3CCC[NH2+][C@@H]3C2(C)C)CC[N@@H+]1Cc1ccccc1 ZINC000925540165 1325198649 /nfs/dbraw/zinc/19/86/49/1325198649.db2.gz AKYSXEMJIJOQDU-JFHUYLGKSA-N 2 0 341.543 3.406 10 0 EGAERP CC1(C)C[C@@H]([NH2+]CCCOc2cccc3cccnc32)C[C@@H]([NH3+])C1 ZINC000925599781 1325228369 /nfs/dbraw/zinc/22/83/69/1325228369.db2.gz UGCGKSHWUBQXBX-SJORKVTESA-N 2 0 327.472 3.499 10 0 EGAERP COc1cccc2[nH]cc(CC[NH2+][C@H]3CC[NH2+]C[C@H]3C3CCCC3)c21 ZINC000925627174 1325237679 /nfs/dbraw/zinc/23/76/79/1325237679.db2.gz AAAUQKPWMWKZPH-ROUUACIJSA-N 2 0 341.499 3.477 10 0 EGAERP C[C@](O)(C[NH2+][C@H]1CC[NH2+]C[C@H]1C1CCCC1)c1cccc(Cl)c1 ZINC000925639171 1325242665 /nfs/dbraw/zinc/24/26/65/1325242665.db2.gz KDGMJJUITSFPNC-FHWLQOOXSA-N 2 0 336.907 3.305 10 0 EGAERP FC(F)(F)c1cccc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n1 ZINC000925677050 1325259299 /nfs/dbraw/zinc/25/92/99/1325259299.db2.gz MZVOXQJQGVPOHD-HZPDHXFCSA-N 2 0 341.421 3.401 10 0 EGAERP COc1ccc(-c2cc(C[NH2+][C@@H]3C[C@H]([NH3+])CC(C)(C)C3)on2)cc1 ZINC000925710019 1325267758 /nfs/dbraw/zinc/26/77/58/1325267758.db2.gz PVQPMFUYWUIDJT-LSDHHAIUSA-N 2 0 329.444 3.346 10 0 EGAERP Cc1c([C@@H](C)[NH2+]CC[C@@H]2C[NH2+]C[C@H]2C)nnn1-c1ccc(Cl)cc1 ZINC000925797979 1325305512 /nfs/dbraw/zinc/30/55/12/1325305512.db2.gz JBHUDJSWASVGSB-UMVBOHGHSA-N 2 0 347.894 3.125 10 0 EGAERP c1cc(CC[NH2+][C@@H]2CC[NH2+]C[C@@H]2C2CCCC2)n(-c2ccccc2)n1 ZINC000925804976 1325307177 /nfs/dbraw/zinc/30/71/77/1325307177.db2.gz OQLMGGLWARZZBP-NHCUHLMSSA-N 2 0 338.499 3.173 10 0 EGAERP c1cc(CC[NH2+][C@@H]2CCC[C@@H]2[C@@H]2CCCC[NH2+]2)n(-c2ccccc2)n1 ZINC000925804176 1325307507 /nfs/dbraw/zinc/30/75/07/1325307507.db2.gz DLINMAFPSZYCAL-QHAWAJNXSA-N 2 0 338.499 3.315 10 0 EGAERP C[C@H]([NH2+]CCN1CCC([NH3+])CC1)c1cc(F)c(Cl)cc1Cl ZINC000925808211 1325309488 /nfs/dbraw/zinc/30/94/88/1325309488.db2.gz BABCODHQZFKLPZ-JTQLQIEISA-N 2 0 334.266 3.206 10 0 EGAERP C[C@H]([NH2+]CCCCCC1CC[NH2+]CC1)c1ccc2c(c1)OCC(=O)N2 ZINC000925809422 1325311540 /nfs/dbraw/zinc/31/15/40/1325311540.db2.gz VENBPOMULDSPDM-HNNXBMFYSA-N 2 0 345.487 3.228 10 0 EGAERP c1csc(N2CCC([NH2+]CCCCCC3CC[NH2+]CC3)CC2)n1 ZINC000925809415 1325311785 /nfs/dbraw/zinc/31/17/85/1325311785.db2.gz VAODKUPRSAGCQM-UHFFFAOYSA-N 2 0 336.549 3.262 10 0 EGAERP C[C@@H](CC(C)(C)c1c[nH]c2ccccc21)[NH2+]CCN1CCC([NH3+])CC1 ZINC000925816360 1325314468 /nfs/dbraw/zinc/31/44/68/1325314468.db2.gz FLVYVXJBZFAOSL-INIZCTEOSA-N 2 0 342.531 3.237 10 0 EGAERP [NH3+]C1CCN(CC[NH2+][C@H]2CCC[C@H](c3ccc(Cl)cc3)C2)CC1 ZINC000925817132 1325314861 /nfs/dbraw/zinc/31/48/61/1325314861.db2.gz NNSWRVFEGPFXCE-LPHOPBHVSA-N 2 0 335.923 3.379 10 0 EGAERP Cc1nc(C(C)C)sc1[C@H](C)[NH2+]CCCCCN1CC[NH2+]CC1 ZINC000925842554 1325325404 /nfs/dbraw/zinc/32/54/04/1325325404.db2.gz AGOJCVBAHKGMAA-HNNXBMFYSA-N 2 0 338.565 3.301 10 0 EGAERP CC(C)C[C@@H]([NH2+]C[C@@H]1CC2(CC[NH2+]CC2)C(=O)O1)c1cccs1 ZINC000925855988 1325331403 /nfs/dbraw/zinc/33/14/03/1325331403.db2.gz VXSUZMOEBURAAD-LSDHHAIUSA-N 2 0 336.501 3.110 10 0 EGAERP C[C@@H]([NH2+][C@H]1C[C@@](C[NH3+])(c2ccccc2)C1)c1nc2ccccc2n1C ZINC000925886758 1325343078 /nfs/dbraw/zinc/34/30/78/1325343078.db2.gz KUCRDNNHUQTFFL-CEQIKUNHSA-N 2 0 334.467 3.283 10 0 EGAERP Cc1cc(C[C@H]2CCC[C@@H]2[NH2+]CC2CC[NH+](CC3CC3)CC2)n(C)n1 ZINC000926731157 1327687422 /nfs/dbraw/zinc/68/74/22/1327687422.db2.gz GESRJIUXONHUNB-CTNGQTDRSA-N 2 0 344.547 3.151 10 0 EGAERP C[C@H]([NH2+]CC[C@H](N(C)C)C(F)(F)F)c1cccc(C[NH+](C)C)c1 ZINC000926960469 1327799630 /nfs/dbraw/zinc/79/96/30/1327799630.db2.gz WACARTHNSBIQJQ-BBRMVZONSA-N 2 0 331.426 3.281 10 0 EGAERP CCOCCC[N@@H+]1CC[C@H]([NH2+]CC[C@@H]2CCC3(CCC3)O2)[C@H](C)C1 ZINC000927129876 1327882466 /nfs/dbraw/zinc/88/24/66/1327882466.db2.gz QCHFESMQUAFLOW-QYZOEREBSA-N 2 0 338.536 3.205 10 0 EGAERP C[C@H](C[C@H](C)[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)NC(=O)OC(C)(C)C ZINC000862398278 1329482876 /nfs/dbraw/zinc/48/28/76/1329482876.db2.gz CXXLSUOECLNWNL-RRFJBIMHSA-N 2 0 327.513 3.141 10 0 EGAERP [NH3+]CCCOCC[NH2+][C@H]1CCCc2cc(SC(F)F)ccc21 ZINC000863546265 1329562191 /nfs/dbraw/zinc/56/21/91/1329562191.db2.gz KNGKCPXMDZZCIO-HNNXBMFYSA-N 2 0 330.444 3.334 10 0 EGAERP CC[NH+](CC)Cc1ccccc1C[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000865404386 1329692139 /nfs/dbraw/zinc/69/21/39/1329692139.db2.gz GIAZKTCETUHSGM-UHFFFAOYSA-N 2 0 345.531 3.313 10 0 EGAERP CCOc1cc(F)cc(C[NH2+]CC2(SC)CC[NH+](C)CC2)c1 ZINC000865573935 1329715382 /nfs/dbraw/zinc/71/53/82/1329715382.db2.gz OVEROCLNRIMPKR-UHFFFAOYSA-N 2 0 326.481 3.141 10 0 EGAERP CC(C)(C)[C@]1(C[NH3+])CC[N@H+](CCCc2nc(-c3ccccc3)no2)C1 ZINC000866705393 1330143174 /nfs/dbraw/zinc/14/31/74/1330143174.db2.gz ZARJDTDKIZPTNV-FQEVSTJZSA-N 2 0 342.487 3.366 10 0 EGAERP CC(C)(C)CC[NH2+]C1(CNC(=O)[C@H]2CCCC[N@@H+]2C2CCCC2)CC1 ZINC001323520223 1387381578 /nfs/dbraw/zinc/38/15/78/1387381578.db2.gz STZNXWWGSOGORA-GOSISDBHSA-N 2 0 349.563 3.458 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@]2(CCN(C(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001323816097 1387467128 /nfs/dbraw/zinc/46/71/28/1387467128.db2.gz MQJNYZDILVFXRW-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CCCCCC[N@@H+]1CC[C@]2(CCN(C(=O)[C@H]3CC[NH+](C)[C@@H](C)C3)C2)C1 ZINC001323860785 1387482204 /nfs/dbraw/zinc/48/22/04/1387482204.db2.gz VUOMCWIQHHUQNT-ZJOUEHCJSA-N 2 0 349.563 3.221 10 0 EGAERP CC[C@@H](C(=O)N[C@@H](C[NH2+]CC1=CCCCC1)C1CCCC1)[NH+](C)C ZINC001324496897 1387650589 /nfs/dbraw/zinc/65/05/89/1387650589.db2.gz DNXBWOBMFJZQSC-OALUTQOASA-N 2 0 335.536 3.092 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@@]1(C)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001324727246 1387753838 /nfs/dbraw/zinc/75/38/38/1387753838.db2.gz GLKAFIRARVSDKR-PCAREKGMSA-N 2 0 349.563 3.291 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CC[C@@](C)(C[NH2+]CC3CCCC3)C2)C1 ZINC001324774639 1387767757 /nfs/dbraw/zinc/76/77/57/1387767757.db2.gz ALTLJOKWWIDBBY-CTNGQTDRSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C)C[NH2+]C[C@]1(C)CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001324803624 1387779107 /nfs/dbraw/zinc/77/91/07/1387779107.db2.gz KEUVZKSTZHKVJM-UTKZUKDTSA-N 2 0 345.531 3.236 10 0 EGAERP c1cc(C[NH2+]Cc2cccc3cnccc32)cc(CN2CCOCC2)c1 ZINC001199392102 1369219178 /nfs/dbraw/zinc/21/91/78/1369219178.db2.gz NJIJXZHEWXBZAC-UHFFFAOYSA-N 2 0 347.462 3.357 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H]2[C@H]1CC[N@@H+]2CC1CC(C)(C)C1 ZINC001325919793 1388084740 /nfs/dbraw/zinc/08/47/40/1388084740.db2.gz IWHCDVKTAHFTML-RBUKOAKNSA-N 2 0 349.563 3.220 10 0 EGAERP C[N@@H+]1CC[C@@H](NC[C@@]2(C)CC[NH+](Cc3ccccc3)C2)CC1(C)C ZINC001118805358 1371233415 /nfs/dbraw/zinc/23/34/15/1371233415.db2.gz YFYNNNITAQLIKX-TZIWHRDSSA-N 3 0 329.532 3.361 10 0 EGAERP C[C@H](CC[NH2+][C@@H]1CC[N@H+](C)C(C)(C)C1)N(C)C(=O)OC(C)(C)C ZINC001118852196 1371240661 /nfs/dbraw/zinc/24/06/61/1371240661.db2.gz IQMKGUSNEBFEJM-HUUCEWRRSA-N 2 0 327.513 3.094 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N1CC[C@@H](CC[NH2+]CC2CCC2)C1 ZINC001326299723 1388145519 /nfs/dbraw/zinc/14/55/19/1388145519.db2.gz APJARTJXYIMGSY-GOSISDBHSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)=CC[N@@H+](C)Cc1ccccc1CNC(=O)C1([NH+](C)C)CCC1 ZINC001326449212 1388193842 /nfs/dbraw/zinc/19/38/42/1388193842.db2.gz HYOIWJGGMOFODK-UHFFFAOYSA-N 2 0 343.515 3.185 10 0 EGAERP CC[C@H](C)C[N@@H+]1CCc2c(CNC(=O)[C@H](CC)[NH+](C)C)cccc2C1 ZINC001326675708 1388279614 /nfs/dbraw/zinc/27/96/14/1388279614.db2.gz RFPZPPAQSYFDCV-JXFKEZNVSA-N 2 0 345.531 3.047 10 0 EGAERP CC1(C)CC(C[NH2+]C2(CNC(=O)[C@H]3CCC[C@@H]4CCC[N@@H+]43)CCC2)C1 ZINC001326900459 1388344153 /nfs/dbraw/zinc/34/41/53/1388344153.db2.gz UVVBNQMJGMJCIA-QZTJIDSGSA-N 2 0 347.547 3.068 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)N[C@@H]1CCC[NH+](CC2CCCCC2)CC1 ZINC001327130318 1388393935 /nfs/dbraw/zinc/39/39/35/1388393935.db2.gz LGNRVHBCDCMNLZ-WOJBJXKFSA-N 2 0 349.563 3.412 10 0 EGAERP CCCCC[N@@H+]1CCC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001327149064 1388406049 /nfs/dbraw/zinc/40/60/49/1388406049.db2.gz XGVOSUQWPCRSED-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001327146146 1388404268 /nfs/dbraw/zinc/40/42/68/1388404268.db2.gz IPXGPZMYTNUCSJ-WARJXXDVSA-N 2 0 337.552 3.290 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2CCCCC2)CC1 ZINC001327162750 1388415778 /nfs/dbraw/zinc/41/57/78/1388415778.db2.gz KRVHYLTUIHXMKR-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[N@H+](CCCNC(=O)[C@H]1CCCC[NH+]1C1CCCC1)CC1CCC1 ZINC001265026115 1377145758 /nfs/dbraw/zinc/14/57/58/1377145758.db2.gz TXRDDPJJXJBEER-LJQANCHMSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NC1CCC([NH2+]CCCC2CCC2)CC1 ZINC001265736246 1377164538 /nfs/dbraw/zinc/16/45/38/1377164538.db2.gz MMRDTEPIUYIYOH-CTWPCTMYSA-N 2 0 335.536 3.068 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1CCC([NH2+]CC2CCC3(CC3)CC2)CC1 ZINC001265743163 1377165453 /nfs/dbraw/zinc/16/54/53/1377165453.db2.gz DTDLEIJGILDAPW-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CCC[C@@H]([NH+](C)CCC(C)(C)C)C1 ZINC001266116948 1377194408 /nfs/dbraw/zinc/19/44/08/1377194408.db2.gz PPDZIGXCWUMYMR-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)C1 ZINC001266327892 1377275064 /nfs/dbraw/zinc/27/50/64/1377275064.db2.gz NVPVZAKPTULLCT-INIZCTEOSA-N 2 0 328.460 3.027 10 0 EGAERP CC[N@H+](C)[C@@H](C(=O)NCC[NH+](C)CC1=CCCCC1)c1ccccc1 ZINC001266347913 1377287422 /nfs/dbraw/zinc/28/74/22/1377287422.db2.gz SGLHIYIZWFUYBG-HXUWFJFHSA-N 2 0 343.515 3.228 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@H]1CC12CC[NH+](CCC(C)(C)C)CC2 ZINC001266380251 1377300902 /nfs/dbraw/zinc/30/09/02/1377300902.db2.gz RVZCGSJHXFHLQX-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[C@@H](c1ccccc1F)[N@@H+]1CC[C@H](CNC(=O)CCCC[NH+](C)C)C1 ZINC001266546300 1377330209 /nfs/dbraw/zinc/33/02/09/1377330209.db2.gz SUAIRLJCKWXKGH-DLBZAZTESA-N 2 0 349.494 3.057 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C)Cc1ccc(C)cc1 ZINC001266579285 1377336463 /nfs/dbraw/zinc/33/64/63/1377336463.db2.gz LVCHJPWTCYAJGJ-RTBURBONSA-N 2 0 345.531 3.196 10 0 EGAERP C[C@H](C[N@@H+]1CCC[C@H](C)C1)NC(=O)c1ccc(NC2=[NH+]CCC2)cc1 ZINC001136394982 1377386957 /nfs/dbraw/zinc/38/69/57/1377386957.db2.gz XKNZDHMYRBXBHU-JKSUJKDBSA-N 2 0 342.487 3.141 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCCC[C@H]2CCC[N@@H+]2CC2CCC2)CC1 ZINC001267176730 1377423421 /nfs/dbraw/zinc/42/34/21/1377423421.db2.gz MDGIJLMWKHEUDQ-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C1CC1 ZINC001269085125 1377538036 /nfs/dbraw/zinc/53/80/36/1377538036.db2.gz RBFFGLFBCFMEEY-RTBURBONSA-N 2 0 349.563 3.027 10 0 EGAERP CC/C=C\CC[NH2+]C1(CC)CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC001327455639 1388523769 /nfs/dbraw/zinc/52/37/69/1388523769.db2.gz PTKGFMLEJXOLRV-FPLPWBNLSA-N 2 0 335.536 3.188 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[N@@H+]1C)C1CCC([NH2+]CC2CCCC2)CC1 ZINC001275609206 1378148594 /nfs/dbraw/zinc/14/85/94/1378148594.db2.gz MTQQXQGGSOWLMX-GPJFCIFZSA-N 2 0 349.563 3.410 10 0 EGAERP CCCCC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC[C@@H]1CCC[NH+]1C ZINC001277346906 1378218841 /nfs/dbraw/zinc/21/88/41/1378218841.db2.gz YSXSXNMEXAYQCE-OTWHNJEPSA-N 2 0 335.536 3.116 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CCCCC[NH+]1CC1CC2(CCC2)C1 ZINC001282677633 1378547601 /nfs/dbraw/zinc/54/76/01/1378547601.db2.gz CYNQOPDPUISNMH-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H](NC(=O)[C@@H](C)[NH+]1CCCCCC1)C1C[NH+](CCCC2CCC2)C1 ZINC001282741927 1378592649 /nfs/dbraw/zinc/59/26/49/1378592649.db2.gz VSXNPLCMWQRXQA-QZTJIDSGSA-N 2 0 349.563 3.268 10 0 EGAERP CC(C)CCC[NH+]1CC([C@@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)C1 ZINC001282741442 1378592852 /nfs/dbraw/zinc/59/28/52/1378592852.db2.gz SKIFCKOMHVXFFW-QZTJIDSGSA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2CC(C)C)C(C)(C)C1 ZINC001282813362 1378624142 /nfs/dbraw/zinc/62/41/42/1378624142.db2.gz WIISGDZNVCAVPU-YMHTTXFNSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@@H+]1C[C@@H]2CC[C@@H](NC(=O)C(C)(C)[NH+](C)C3CCCC3)C[C@@H]2C1 ZINC001282946997 1378680464 /nfs/dbraw/zinc/68/04/64/1378680464.db2.gz JQKCMMQEFGIODD-RCCFBDPRSA-N 2 0 349.563 3.266 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)N[C@@H](C)CCC[NH2+]CC1CCCC1 ZINC001283248734 1378771002 /nfs/dbraw/zinc/77/10/02/1378771002.db2.gz OLZMKPVOHIFLNT-PKOBYXMFSA-N 2 0 337.552 3.314 10 0 EGAERP CN(C(=O)C1([NH+](C)C)CCC1)[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001283511799 1378995313 /nfs/dbraw/zinc/99/53/13/1378995313.db2.gz XEEDPHRIBLUWII-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N(C)C[C@@H](C)[NH2+]CC2CC3(CCC3)C2)C1 ZINC001283668111 1379096964 /nfs/dbraw/zinc/09/69/64/1379096964.db2.gz YMCBOEWGXTWRPW-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccccc1C[NH2+][C@@H](C)CN(C)C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001283725082 1379146992 /nfs/dbraw/zinc/14/69/92/1379146992.db2.gz XEAHPNFPRKVUBD-AZUAARDMSA-N 2 0 345.531 3.052 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)[C@H]3CC[NH+](C)[C@@H]3CC)CCC[C@H]12 ZINC001284056938 1379408090 /nfs/dbraw/zinc/40/80/90/1379408090.db2.gz JKEUIJAGEQVUKK-NLPXHYEHSA-N 2 0 347.547 3.186 10 0 EGAERP CCCC[N@@H+]1CC[C@@]2(NC(=O)C3(C[NH+](C)C)CCCCC3)CCC[C@H]12 ZINC001284057253 1379409336 /nfs/dbraw/zinc/40/93/36/1379409336.db2.gz KMBIDPAURNIAOP-RXVVDRJESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@H]21 ZINC001284098075 1379465966 /nfs/dbraw/zinc/46/59/66/1379465966.db2.gz WVZYPLHGKSAOPE-XUVXKRRUSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C3CC[NH+](C)CC3)C[C@@H]21 ZINC001284098072 1379466184 /nfs/dbraw/zinc/46/61/84/1379466184.db2.gz WVZYPLHGKSAOPE-HSALFYBXSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CC[C@@H](C[NH2+]CCC3CC3)C2)c1 ZINC001284250381 1379633567 /nfs/dbraw/zinc/63/35/67/1379633567.db2.gz ZUTIVFOGZCWTNM-XLIONFOSSA-N 2 0 343.515 3.036 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CN(C(=O)C23CCC[NH+](CCC2)C3)CC1(C)C ZINC001284293164 1379681944 /nfs/dbraw/zinc/68/19/44/1379681944.db2.gz MUDXRIGZKSXGGX-SFHVURJKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)N(CC[N@H+](C)[C@H](C)c1ccccc1)C(=O)[C@@H]1CCC[NH+]1C ZINC001284529259 1379933276 /nfs/dbraw/zinc/93/32/76/1379933276.db2.gz FTFWDWLRCLRAAW-MJGOQNOKSA-N 2 0 331.504 3.011 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CCCC1CCC1)C(C)(C)C ZINC001284618766 1380018351 /nfs/dbraw/zinc/01/83/51/1380018351.db2.gz NFLSSMVXRPCKNV-ROUUACIJSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CC[NH2+]C1(C)CCN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)CC1 ZINC001327995775 1388640936 /nfs/dbraw/zinc/64/09/36/1388640936.db2.gz NZQRLDQZJILMRX-QZTJIDSGSA-N 2 0 335.536 3.020 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H](C[NH2+]CC1CC(C)(C)C1)C(C)(C)C ZINC001284630885 1380034776 /nfs/dbraw/zinc/03/47/76/1380034776.db2.gz KMFULOPYDAWPHZ-WMLDXEAASA-N 2 0 348.535 3.145 10 0 EGAERP CC(C)(C)[C@H](C[NH2+]CC1CCCC1)NC(=O)CCC[NH+]1CCCC1 ZINC001284653684 1380069198 /nfs/dbraw/zinc/06/91/98/1380069198.db2.gz UVFBPXXIJPRSEN-SFHVURJKSA-N 2 0 337.552 3.173 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H](C[NH2+][C@@H]1CCc2ccccc21)C(C)(C)C ZINC001284653591 1380069218 /nfs/dbraw/zinc/06/92/18/1380069218.db2.gz SSOOYSUUEGGKKK-MOPGFXCFSA-N 2 0 345.531 3.135 10 0 EGAERP CCC[NH2+]C1(C)CCN(C(=O)[C@@H](c2ccccc2)[N@H+](C)CC)CC1 ZINC001328038401 1388651133 /nfs/dbraw/zinc/65/11/33/1388651133.db2.gz HDHVUOFQUVJSLL-GOSISDBHSA-N 2 0 331.504 3.060 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NCC1=CC[NH+](CCC2CCCC2)CC1 ZINC001284929370 1380318104 /nfs/dbraw/zinc/31/81/04/1380318104.db2.gz WANFYAFHTVTCIZ-HXUWFJFHSA-N 2 0 347.547 3.189 10 0 EGAERP O=C(Nc1ccccc1Nc1cc[nH+]cc1)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC001156432454 1380575559 /nfs/dbraw/zinc/57/55/59/1380575559.db2.gz VOFUMSWMRYNGTD-QFBILLFUSA-N 2 0 336.439 3.203 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001328112210 1388676434 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329.532 3.242 10 0 EGAERP CC(C)C[C@@H](C)C[NH2+]CC1CC(NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001328897465 1388898801 /nfs/dbraw/zinc/89/88/01/1388898801.db2.gz OPMLIJKDOADZJW-WWDZGPRUSA-N 2 0 337.552 3.027 10 0 EGAERP C[C@H](C(=O)N(C)C[C@@H]1CC[N@@H+]1CCC(C)(C)C)[NH+]1CCCCCC1 ZINC001316600915 1384467261 /nfs/dbraw/zinc/46/72/61/1384467261.db2.gz CVUPBIMZCDQGOE-MSOLQXFVSA-N 2 0 337.552 3.220 10 0 EGAERP CC[N@@H+]1CC[C@@H](NC(=O)C2(C[NH+](C)C)CCCCC2)CC(C)(C)C1 ZINC001316809364 1384604192 /nfs/dbraw/zinc/60/41/92/1384604192.db2.gz AVOQGTVBIFODJX-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C1CCCC1)CC1CCCC1 ZINC001316828077 1384621843 /nfs/dbraw/zinc/62/18/43/1384621843.db2.gz ITDADKRZVGHPPB-IBGZPJMESA-N 2 0 335.536 3.022 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CCCC[NH+]1C)CC1CCC2(CC2)CC1 ZINC001316898171 1384676795 /nfs/dbraw/zinc/67/67/95/1384676795.db2.gz DVIQKYWTFHMQLB-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP Cc1cccc([C@@H](C)[N@H+](CCCNC(=O)[C@H]2CCC[NH+]2C)C2CC2)c1 ZINC001316914289 1384685767 /nfs/dbraw/zinc/68/57/67/1384685767.db2.gz LQGRQTGUUWDGOR-YLJYHZDGSA-N 2 0 343.515 3.121 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CCC2CCCCCC2)C2CC2)C1 ZINC001317030568 1384797774 /nfs/dbraw/zinc/79/77/74/1384797774.db2.gz UZNUNIBGPQHNLF-FXAWDEMLSA-N 2 0 349.563 3.173 10 0 EGAERP CCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@H]2CCC[NH+](CCC)C2)C1 ZINC001317038748 1384810732 /nfs/dbraw/zinc/81/07/32/1384810732.db2.gz LHTMHJSPFGZYIG-MOPGFXCFSA-N 2 0 337.552 3.079 10 0 EGAERP CCCCCC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(F)CC[N@@H+](C(C)(C)C)C2)C1 ZINC001317088029 1384850010 /nfs/dbraw/zinc/85/00/10/1384850010.db2.gz OXQUBAWYDDIWQI-GPMSIDNRSA-N 2 0 341.515 3.016 10 0 EGAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCC1CCCCC1)[NH+](C)C ZINC001317097477 1384859097 /nfs/dbraw/zinc/85/90/97/1384859097.db2.gz ANTJAGDTWGZDHQ-RAFMOHDBSA-N 2 0 349.563 3.409 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1C[C@@H]([NH2+]CC2CCC(C)(C)CC2)C1 ZINC001317124167 1384882443 /nfs/dbraw/zinc/88/24/43/1384882443.db2.gz BIMWMRLDOPRGRV-HDICACEKSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@H]1CCC[N@H+](CCC2CC2)C1)[NH+]1CCCCC1 ZINC001317137519 1384900728 /nfs/dbraw/zinc/90/07/28/1384900728.db2.gz LSCHQDWKRMUJSE-UXHICEINSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](CNC(=O)[C@H]2CCCC[NH+]2C(C)C)C1 ZINC001317140681 1384908126 /nfs/dbraw/zinc/90/81/26/1384908126.db2.gz RSQLGBTUZNARDS-BGEOSOQGSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H]1CCC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317141782 1384910233 /nfs/dbraw/zinc/91/02/33/1384910233.db2.gz VTOFJWFXESVYFL-PMACEKPBSA-N 2 0 349.563 3.291 10 0 EGAERP C[NH+]1CCC(CC(=O)N2CCCC[C@@H]2C[NH2+]CCCC2CCC2)CC1 ZINC001317193509 1384967654 /nfs/dbraw/zinc/96/76/54/1384967654.db2.gz FXBMMAPSWSESQP-HXUWFJFHSA-N 2 0 349.563 3.269 10 0 EGAERP Cc1c(C(=O)NC[C@H](C)[NH2+][C@H]2CCc3ccccc32)ccc2c[nH+]cn21 ZINC001317255670 1385025847 /nfs/dbraw/zinc/02/58/47/1385025847.db2.gz BFBYNXXMQQLJFH-XOBRGWDASA-N 2 0 348.450 3.038 10 0 EGAERP C[C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)[NH2+]CCCC1CCCC1 ZINC001317270669 1385041125 /nfs/dbraw/zinc/04/11/25/1385041125.db2.gz JQWVSKPUNNOVSY-ROUUACIJSA-N 2 0 337.552 3.316 10 0 EGAERP C[N@H+](CCC(C)(C)C)[C@H]1CCCN(C(=O)CC[NH+]2CCCCC2)C1 ZINC001317383971 1385108901 /nfs/dbraw/zinc/10/89/01/1385108901.db2.gz JRIQTEXXKCGGQZ-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CCc1ccccc1C[NH2+][C@H](C)CCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001317402169 1385116650 /nfs/dbraw/zinc/11/66/50/1385116650.db2.gz UYFKGXQOSUWQQA-QGZVFWFLSA-N 2 0 345.531 3.108 10 0 EGAERP CC(C)[C@@H](C(=O)NCC[C@H](C)[NH2+]CC1=CCCCC1)[NH+]1CCCC1 ZINC001317416938 1385126652 /nfs/dbraw/zinc/12/66/52/1385126652.db2.gz ZKFFYRPYTGNSNF-HKUYNNGSSA-N 2 0 335.536 3.092 10 0 EGAERP C[NH+](C)[C@H]1CCC[C@H](C(=O)NCC[N@H+](C)CCCC2CCCC2)C1 ZINC001317467567 1385161048 /nfs/dbraw/zinc/16/10/48/1385161048.db2.gz VNWCWMGBYXFKJV-OALUTQOASA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1[C@H](C)c1cc(C)ccc1C ZINC001317509591 1385219246 /nfs/dbraw/zinc/21/92/46/1385219246.db2.gz QNQWHOCOLHZOPA-MOPGFXCFSA-N 2 0 345.531 3.287 10 0 EGAERP CCCCC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001317512059 1385224555 /nfs/dbraw/zinc/22/45/55/1385224555.db2.gz XCMFRCAONHPODZ-LJQANCHMSA-N 2 0 331.504 3.133 10 0 EGAERP C[C@H](c1cccc(Cl)c1)[N@@H+]1CCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC001317517226 1385234093 /nfs/dbraw/zinc/23/40/93/1385234093.db2.gz RUWKTZFHIQYHRB-QAPCUYQASA-N 2 0 349.906 3.077 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@H]1CC[NH+](Cc2ccc(C(C)C)cc2)C1 ZINC001317533821 1385263752 /nfs/dbraw/zinc/26/37/52/1385263752.db2.gz XXGYNEUCGZKSTE-LJQANCHMSA-N 2 0 345.531 3.090 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH+]2CC[C@@H](CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001317534669 1385264961 /nfs/dbraw/zinc/26/49/61/1385264961.db2.gz DBUWGQAJBNTPAK-MOPGFXCFSA-N 2 0 345.531 3.143 10 0 EGAERP C[C@@H](NC(=O)c1ccc(CC[NH+](C)C)cc1)[C@@H](C)[NH2+]CC1CCCC1 ZINC001329125655 1388979758 /nfs/dbraw/zinc/97/97/58/1388979758.db2.gz JIUWBVFPLHIDKP-IAGOWNOFSA-N 2 0 345.531 3.077 10 0 EGAERP CC(C)[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C)CC1CCC(C)CC1 ZINC001317698081 1385405484 /nfs/dbraw/zinc/40/54/84/1385405484.db2.gz IFJWVXQLQSBZLU-CTWPCTMYSA-N 2 0 337.552 3.124 10 0 EGAERP CC[NH2+][C@@H](CNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC)c1ccc(C(C)C)cc1 ZINC001317711249 1385413237 /nfs/dbraw/zinc/41/32/37/1385413237.db2.gz KYSLTJNRKPCCQU-SLFFLAALSA-N 2 0 345.531 3.307 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)NC[C@@H]([NH2+]CC1CCCC1)c1ccccc1 ZINC001317721656 1385421882 /nfs/dbraw/zinc/42/18/82/1385421882.db2.gz IEYQCPFEIOHMLC-UXHICEINSA-N 2 0 343.515 3.108 10 0 EGAERP CC[C@H](C)C[NH2+][C@@H](CNC(=O)CC1CC[NH+](C)CC1)c1ccccc1 ZINC001317723098 1385423910 /nfs/dbraw/zinc/42/39/10/1385423910.db2.gz DFVBLVBOXPTNDH-PXNSSMCTSA-N 2 0 345.531 3.212 10 0 EGAERP CC(C)[C@H](C(=O)NCC[C@@H]1CC[N@H+](CCC2=CCCCC2)C1)[NH+](C)C ZINC001317802717 1385497929 /nfs/dbraw/zinc/49/79/29/1385497929.db2.gz YONOQZKCGYIUGI-WOJBJXKFSA-N 2 0 349.563 3.291 10 0 EGAERP CC(C)CCC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001317835984 1385523779 /nfs/dbraw/zinc/52/37/79/1385523779.db2.gz JWGZHPCGFUDDTR-OALUTQOASA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H]1CCC[N@H+](CCC(C)(C)C)C1)[NH+]1CCCC1 ZINC001317955056 1385585488 /nfs/dbraw/zinc/58/54/88/1385585488.db2.gz CNTNPZGRBZMZLF-MSOLQXFVSA-N 2 0 337.552 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CC[C@@H](N(C)C(=O)C(C)(C)[NH+](C)C2CCCC2)C1 ZINC001318411373 1385678455 /nfs/dbraw/zinc/67/84/55/1385678455.db2.gz CRFWNYLBXKNZOK-GOSISDBHSA-N 2 0 337.552 3.218 10 0 EGAERP CC(C)c1ccc([C@@H](C)[N@@H+]2CC[C@@H](N(C)C(=O)CC[NH+](C)C)C2)cc1 ZINC001318427176 1385683060 /nfs/dbraw/zinc/68/30/60/1385683060.db2.gz WZWOQZBUVIEQPZ-YLJYHZDGSA-N 2 0 345.531 3.355 10 0 EGAERP CC/C=C/CC[NH2+]CCC1CCN(C(=O)[C@@H]2CCCC[N@@H+]2CC)CC1 ZINC001318938062 1385888429 /nfs/dbraw/zinc/88/84/29/1385888429.db2.gz RRXNDUJKJNSBRB-XJDXJNMNSA-N 2 0 349.563 3.435 10 0 EGAERP CC(C)=CC[NH2+][C@H]1CC[C@H](NC(=O)[C@H](C)[NH+]2CCCCCC2)CC1 ZINC001318975582 1385904625 /nfs/dbraw/zinc/90/46/25/1385904625.db2.gz JDLSRXVMWDEMMR-FHWLQOOXSA-N 2 0 335.536 3.234 10 0 EGAERP CC(C)[N@H+]1CCCC[C@@H]1C(=O)NC[C@H](C)C[NH2+]CC1CC(C)(C)C1 ZINC001319250299 1386025030 /nfs/dbraw/zinc/02/50/30/1386025030.db2.gz KREQZIDWYLUHRW-SJLPKXTDSA-N 2 0 337.552 3.027 10 0 EGAERP CC[N@@H+]1CCC[C@H](CN[C@H]2CC[NH+](Cc3ccccc3)C[C@H]2C)C1 ZINC001319385044 1386094817 /nfs/dbraw/zinc/09/48/17/1386094817.db2.gz YXWSCVKTEXBMDN-NRSPTQNISA-N 3 0 329.532 3.219 10 0 EGAERP C[C@H](C[NH2+][C@@H](C)c1ccc(C(C)(C)C)cc1)N(C)C(=O)CC[NH+](C)C ZINC001319526203 1386161673 /nfs/dbraw/zinc/16/16/73/1386161673.db2.gz VVVZTMBAWVQFKY-SJORKVTESA-N 2 0 347.547 3.433 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@H](C)[NH+]2CCCCCC2)CCCC1 ZINC001698633537 1406277308 /nfs/dbraw/zinc/27/73/08/1406277308.db2.gz MDADAZGLIQMLRY-SFHVURJKSA-N 2 0 337.552 3.460 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@H](C)N(C)C(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001319594351 1386196191 /nfs/dbraw/zinc/19/61/91/1386196191.db2.gz UIMJINKCDHAROI-ICSRJNTNSA-N 2 0 345.531 3.052 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CCCCC1)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC001319618944 1386212172 /nfs/dbraw/zinc/21/21/72/1386212172.db2.gz HOKOFJHCRYQOAV-RBUKOAKNSA-N 2 0 337.552 3.172 10 0 EGAERP CN(CC[N@H+](C)CCC(C)(C)C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001320084836 1386501427 /nfs/dbraw/zinc/50/14/27/1386501427.db2.gz LNCZVNCZXBCJOY-UHFFFAOYSA-N 2 0 333.520 3.188 10 0 EGAERP CC[C@H]([NH2+]C[C@@](C)(NC(=O)C[NH+]1CCCC1)C1CC1)c1ccccc1 ZINC001698651081 1406300730 /nfs/dbraw/zinc/30/07/30/1406300730.db2.gz BOMJPTJHWNDHOC-PZJWPPBQSA-N 2 0 343.515 3.108 10 0 EGAERP CCCCCC[NH2+]C[C@@H]1CCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001320145996 1386535047 /nfs/dbraw/zinc/53/50/47/1386535047.db2.gz JRGMPCRHOPFBNV-RBUKOAKNSA-N 2 0 349.563 3.317 10 0 EGAERP C[NH+](C)CCOc1ccc(CC[NH2+]CCc2ccc(F)cc2)cc1 ZINC001320174187 1386547883 /nfs/dbraw/zinc/54/78/83/1386547883.db2.gz LHFAJBGDJCGHKC-UHFFFAOYSA-N 2 0 330.447 3.141 10 0 EGAERP CCN(CC[NH2+]CCC(C)C)C(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001320817813 1386727026 /nfs/dbraw/zinc/72/70/26/1386727026.db2.gz AKTSGUQSOLOOAH-IBGZPJMESA-N 2 0 337.552 3.268 10 0 EGAERP CCN(CC[NH2+]Cc1ccc(F)cc1)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001320862797 1386741609 /nfs/dbraw/zinc/74/16/09/1386741609.db2.gz MMUBNNPQWHBOKE-LJQANCHMSA-N 2 0 349.494 3.027 10 0 EGAERP CC(C)[N@H+]1CCCC[C@H]1C(=O)N[C@H](C)C[NH2+]CC1CCCCCC1 ZINC001321663594 1386953391 /nfs/dbraw/zinc/95/33/91/1386953391.db2.gz RYQPRRQFIFHABV-MJGOQNOKSA-N 2 0 337.552 3.314 10 0 EGAERP CC[C@@H](C(=O)N1CCC[C@H](CC[NH2+]CCC2=CCCCC2)C1)[NH+](C)C ZINC001698683074 1406330799 /nfs/dbraw/zinc/33/07/99/1406330799.db2.gz OQLZUTVPVKAXLK-UXHICEINSA-N 2 0 349.563 3.435 10 0 EGAERP CCCC[NH2+]CCC1CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)CC1 ZINC001698695346 1406339115 /nfs/dbraw/zinc/33/91/15/1406339115.db2.gz JQBMREJLAXJBDH-HXUWFJFHSA-N 2 0 349.563 3.412 10 0 EGAERP CC(C)c1ccc(C[N@@H+](C)C[C@@H](C)NC(=O)C[NH+]2CC[C@H](C)C2)cc1 ZINC001322244477 1387118005 /nfs/dbraw/zinc/11/80/05/1387118005.db2.gz NKVVSUBBSNDJEI-ZWKOTPCHSA-N 2 0 345.531 3.088 10 0 EGAERP Cc1nccn1-c1cc[nH+]cc1NC(=O)c1cn(C)c2ccc(F)cc12 ZINC001322513790 1387198940 /nfs/dbraw/zinc/19/89/40/1387198940.db2.gz IUSMVWTYSTUROX-UHFFFAOYSA-N 2 0 349.369 3.459 10 0 EGAERP CN(CCC[NH2+]Cc1ccccc1)C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001322544245 1387203128 /nfs/dbraw/zinc/20/31/28/1387203128.db2.gz UHRFJBAIWXXMPC-FQEVSTJZSA-N 2 0 343.515 3.032 10 0 EGAERP CN(CCC[NH2+]CC1CC2(CCC2)C1)C(=O)[C@H]1CCC[C@H]2CCC[N@@H+]21 ZINC001322729849 1387231848 /nfs/dbraw/zinc/23/18/48/1387231848.db2.gz AUCZNBRZJLMDRJ-RBUKOAKNSA-N 2 0 347.547 3.022 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H]1CC[C@H](NC(=O)c2ccc3c[nH+]cn3c2C)CC1 ZINC001698709135 1406350511 /nfs/dbraw/zinc/35/05/11/1406350511.db2.gz DBBFPAFFHKJFDT-DJIMGWMZSA-N 2 0 342.487 3.319 10 0 EGAERP CCCCC[NH2+]C1CCC(N(C)C(=O)C23CCC[NH+]2CCC3)CC1 ZINC001329239962 1389031222 /nfs/dbraw/zinc/03/12/22/1389031222.db2.gz CLOCSSPSUGNYQT-UHFFFAOYSA-N 2 0 335.536 3.164 10 0 EGAERP CC[C@H](C(=O)NC[C@H](C)[N@H+](C)Cc1cccc2ccccc21)[NH+](C)C ZINC001329593046 1389172716 /nfs/dbraw/zinc/17/27/16/1389172716.db2.gz XLRGCGSHSYJLCX-OXJNMPFZSA-N 2 0 341.499 3.117 10 0 EGAERP C[NH+]1CCN(c2ccccc2C[NH2+][C@H]2CCOC3(CCCC3)C2)CC1 ZINC001329644134 1389196493 /nfs/dbraw/zinc/19/64/93/1389196493.db2.gz TWDCWFDPVFEBAJ-IBGZPJMESA-N 2 0 343.515 3.020 10 0 EGAERP CCCCC[NH2+]Cc1ccc(CNC(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001698718633 1406363000 /nfs/dbraw/zinc/36/30/00/1406363000.db2.gz QOKSIFKDINVWCF-LJQANCHMSA-N 2 0 331.504 3.067 10 0 EGAERP CC(C)=CC[NH2+][C@H](CCN(C)C(=O)CC1CC[NH+](C)CC1)C(C)C ZINC001329761892 1389221057 /nfs/dbraw/zinc/22/10/57/1389221057.db2.gz QUOCEDJFGJLJGL-LJQANCHMSA-N 2 0 337.552 3.147 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@H]1CC[C@H]([NH2+]CC2CC(C)(C)C2)CC1 ZINC001698718578 1406363431 /nfs/dbraw/zinc/36/34/31/1406363431.db2.gz ZWWLBCXNWAMYHC-IYARVYRRSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)[N@H+]1CCC[C@H]1C(=O)NC1(C[NH2+]CC[C@@H](C)F)CCCCC1 ZINC001329819500 1389230935 /nfs/dbraw/zinc/23/09/35/1389230935.db2.gz YOPYWRUNJBHPFU-SJORKVTESA-N 2 0 341.515 3.016 10 0 EGAERP CCC/C=C/CC[NH2+]CC1(NC(=O)[C@H]2CC[N@H+](C)C2)CCCCC1 ZINC001329861464 1389238797 /nfs/dbraw/zinc/23/87/97/1389238797.db2.gz SOQVYUUCPXJUIJ-QWNKOJSDSA-N 2 0 335.536 3.093 10 0 EGAERP CCc1ccc(C[N@@H+]2CCCCC[C@@H]2CNC(=O)CC[NH+](C)C)cc1 ZINC001329935769 1389264062 /nfs/dbraw/zinc/26/40/62/1389264062.db2.gz DNJMXWURNPVCNY-HXUWFJFHSA-N 2 0 345.531 3.062 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@H]1CCC[NH+]1C ZINC001329937658 1389266427 /nfs/dbraw/zinc/26/64/27/1389266427.db2.gz NNOZCVZVGDTEAH-CQQBRXBZSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NCCC1CC[NH+](CC2CCCC2)CC1 ZINC001698721086 1406366898 /nfs/dbraw/zinc/36/68/98/1406366898.db2.gz ISZATGAIULXFCG-FQEVSTJZSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[NH+]1CC([C@@H](C)NC(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001329996449 1389281465 /nfs/dbraw/zinc/28/14/65/1389281465.db2.gz CVZACNZETGYRGI-QGZVFWFLSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccc(C[NH2+]CCC[C@H](C)NC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001330898602 1389556904 /nfs/dbraw/zinc/55/69/04/1389556904.db2.gz HTYKCUCEEUZWLV-BJLQDIEVSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@H](C)C[N@H+](C)C1CCN(C(=O)[C@@H](C)[NH+]2CCCCCC2)CC1 ZINC001331053716 1389611639 /nfs/dbraw/zinc/61/16/39/1389611639.db2.gz LRFYCKZCHYNABS-ZWKOTPCHSA-N 2 0 337.552 3.220 10 0 EGAERP CCCCC[N@@H+]1CCC2(C1)CCN(C(=O)[C@@H]1CCCC[NH+]1CC)CC2 ZINC001698737030 1406388857 /nfs/dbraw/zinc/38/88/57/1406388857.db2.gz ADCUFHCSPDNEKI-IBGZPJMESA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)c1ccccc1C[NH2+][C@H](C)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001331455652 1389755336 /nfs/dbraw/zinc/75/53/36/1389755336.db2.gz ORCDULNXBZHLLW-MBOZVWFJSA-N 2 0 345.531 3.087 10 0 EGAERP C[C@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1 ZINC001331519703 1389780649 /nfs/dbraw/zinc/78/06/49/1389780649.db2.gz PYVNTAYTKXCSAL-SJORKVTESA-N 2 0 331.504 3.059 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]([NH2+]Cc2c(C)cc(C)cc2C)C[C@@H]1C ZINC001332050515 1389958892 /nfs/dbraw/zinc/95/88/92/1389958892.db2.gz PUXNYUOIXNUJLT-OALUTQOASA-N 2 0 345.531 3.033 10 0 EGAERP CC(C)=CC[NH+]1CC[C@@]2(NC(=O)C[N@@H+](C)CC(C)(C)C)CCC[C@@H]12 ZINC001332111815 1389990210 /nfs/dbraw/zinc/99/02/10/1389990210.db2.gz OCWMYXQDGRCVKQ-XLIONFOSSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)[C@@H]1C ZINC001332187070 1390030057 /nfs/dbraw/zinc/03/00/57/1390030057.db2.gz WCTFXVHPZBWIFT-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]([NH2+]C[C@@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1)c1ccccc1 ZINC001698762451 1406416826 /nfs/dbraw/zinc/41/68/26/1406416826.db2.gz UPJCSOYFUPIPKR-IEBWSBKVSA-N 2 0 345.531 3.354 10 0 EGAERP CC[N@H+](C)CCC(=O)N1C[C@H]([NH2+][C@@H](C)c2cccc(F)c2)C(C)(C)C1 ZINC001332438376 1390118173 /nfs/dbraw/zinc/11/81/73/1390118173.db2.gz RTYARXFMJOYWFB-YJBOKZPZSA-N 2 0 349.494 3.055 10 0 EGAERP CCCCC[N@H+](C)CCN(C(=O)[C@H]1CC[C@H]2CCCC[NH+]21)C(C)C ZINC001332710383 1390162913 /nfs/dbraw/zinc/16/29/13/1390162913.db2.gz DPUSCTUNYQVBAO-RTBURBONSA-N 2 0 337.552 3.362 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N[C@@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC[N@@H+]1C ZINC001332807304 1390191280 /nfs/dbraw/zinc/19/12/80/1390191280.db2.gz IDKYIGKKGBHNJG-OTWHNJEPSA-N 2 0 349.563 3.338 10 0 EGAERP CCC(CC)C[NH2+]C[C@@H](NC(=O)[C@@H]1CCCC[N@@H+]1C)C(C)(C)C ZINC001332823515 1390194556 /nfs/dbraw/zinc/19/45/56/1390194556.db2.gz IKXVVXTUHTUZFT-DLBZAZTESA-N 2 0 325.541 3.027 10 0 EGAERP CC1CC[NH+](CC(=O)N[C@H](C[NH2+]CC2=CCCCC2)C(C)(C)C)CC1 ZINC001332872397 1390205375 /nfs/dbraw/zinc/20/53/75/1390205375.db2.gz ABOOPZOCBGXDPF-LJQANCHMSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@@H](NC(=O)C[C@H]1CC[N@H+](C)C1)C1CC[NH+](CCCC2CCC2)CC1 ZINC001332960109 1390224602 /nfs/dbraw/zinc/22/46/02/1390224602.db2.gz MNNJKNPJSPXLNF-IEBWSBKVSA-N 2 0 349.563 3.125 10 0 EGAERP CCCC[NH+]1CCC([C@H](C)NC(=O)CCC[NH+]2CCCCC2)CC1 ZINC001333016165 1390237586 /nfs/dbraw/zinc/23/75/86/1390237586.db2.gz XERYWAMXKFXNII-SFHVURJKSA-N 2 0 337.552 3.269 10 0 EGAERP C[NH+](C)CC(C)(C)C1CCN(C(=O)C(C)(C)[NH+]2CCCCC2)CC1 ZINC001334154075 1390490198 /nfs/dbraw/zinc/49/01/98/1390490198.db2.gz DOHQIMUOSRDINR-UHFFFAOYSA-N 2 0 337.552 3.077 10 0 EGAERP CCCCC[NH2+]C1(CNC(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)CCCC1 ZINC001698797181 1406467174 /nfs/dbraw/zinc/46/71/74/1406467174.db2.gz FUZZKHLCMUBHOA-ZWKOTPCHSA-N 2 0 335.536 3.212 10 0 EGAERP C[C@@H]1C[C@@H]2CC[C@@H](C(=O)NC3CCC(C)([NH+]4CCCC4)CC3)C[N@@H+]2C1 ZINC001348360060 1391209771 /nfs/dbraw/zinc/20/97/71/1391209771.db2.gz XTVWLBDNCNISFI-WCXALAEXSA-N 2 0 347.547 3.020 10 0 EGAERP CC/C=C/CC[NH2+]C1(CNC(=O)C[NH+]2CCC(C)CC2)CCCC1 ZINC001698807438 1406490424 /nfs/dbraw/zinc/49/04/24/1406490424.db2.gz OEGZCKGLAFGXRY-SNAWJCMRSA-N 2 0 335.536 3.093 10 0 EGAERP C[C@@H](C[NH2+]CC1=CCCCC1)N(C)C(=O)[C@H]1CCC[N@@H+]1C1CCCC1 ZINC001698827687 1406520123 /nfs/dbraw/zinc/52/01/23/1406520123.db2.gz HGHLGUNBHYSRNI-FXAWDEMLSA-N 2 0 347.547 3.330 10 0 EGAERP C[C@@H](C[NH2+]CCC(C)(C)C)N(C)C(=O)[C@H](C)[NH+]1CCCCCC1 ZINC001698849840 1406552122 /nfs/dbraw/zinc/55/21/22/1406552122.db2.gz WVOROHWBPINCBQ-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@@H]1CC[C@H](CNC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001479460154 1392248537 /nfs/dbraw/zinc/24/85/37/1392248537.db2.gz KMIQIDHOZUACLE-CZHQAMEJSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@H]([NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)CC[NH+](C)C)c1ccc(F)cc1 ZINC001479571675 1392278449 /nfs/dbraw/zinc/27/84/49/1392278449.db2.gz DKXXKHWPULHFRA-GJYPPUQNSA-N 2 0 349.494 3.055 10 0 EGAERP C[C@@H](C(=O)N1CC[C@@H](C)C[C@H]1C[NH2+]CCC1CC1)[NH+]1CCCCCC1 ZINC001479579476 1392280047 /nfs/dbraw/zinc/28/00/47/1392280047.db2.gz WLOSUVNHTVPYSS-HBFSDRIKSA-N 2 0 349.563 3.268 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H]2CN(C(=O)CC[NH+]3CCCCC3)C[C@@H]2C1 ZINC001479674833 1392313390 /nfs/dbraw/zinc/31/33/90/1392313390.db2.gz SZGGCKBQXWWTET-UXHICEINSA-N 2 0 349.563 3.223 10 0 EGAERP CC(C)C[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+]2CCCC2)C1 ZINC001479694658 1392325534 /nfs/dbraw/zinc/32/55/34/1392325534.db2.gz DVXHGAGADQNPSJ-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCC[NH+]2C)CC(C)(C)C1 ZINC001479744495 1392359091 /nfs/dbraw/zinc/35/90/91/1392359091.db2.gz DJZGLQQFKFSKGI-QZTJIDSGSA-N 2 0 337.552 3.268 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCNC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC001479800792 1392399995 /nfs/dbraw/zinc/39/99/95/1392399995.db2.gz VSMXSSGRQIUOBL-LJQANCHMSA-N 2 0 345.531 3.198 10 0 EGAERP CC[C@@H](c1ccccc1)[N@H+](CCCNC(=O)[C@@H]1CCC[NH+]1C)C1CC1 ZINC001479865726 1392443255 /nfs/dbraw/zinc/44/32/55/1392443255.db2.gz WVXKUOCXNNDNFO-PMACEKPBSA-N 2 0 343.515 3.203 10 0 EGAERP CC[C@@H](C(=O)N[C@H]1CC12CC[NH+](CC1CCCC1)CC2)[NH+](CC)CC ZINC001479984621 1392517623 /nfs/dbraw/zinc/51/76/23/1392517623.db2.gz FPCAKFWMYQIDMX-OALUTQOASA-N 2 0 349.563 3.268 10 0 EGAERP CCCN(C(=O)CCc1c[nH]cn1)C1CC[NH+](CC2CCCC2)CC1 ZINC001479993297 1392524501 /nfs/dbraw/zinc/52/45/01/1392524501.db2.gz LOKFMKMJFUDSML-UHFFFAOYSA-N 2 0 346.519 3.236 10 0 EGAERP CCCCCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C)C1 ZINC001480083012 1392572597 /nfs/dbraw/zinc/57/25/97/1392572597.db2.gz YGRHHPFZYNRFOC-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1C[C@H]([NH2+][C@H](C)c2ccccc2)C1)[NH+]1CCCC1 ZINC001480174122 1392608871 /nfs/dbraw/zinc/60/88/71/1392608871.db2.gz RUDYDCYMIGWSPI-AFYVEPGGSA-N 2 0 343.515 3.105 10 0 EGAERP CC[C@H](C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2CCCC1CCC1)[NH+](C)C ZINC001480182326 1392614144 /nfs/dbraw/zinc/61/41/44/1392614144.db2.gz ORHQDFNCKUUKTP-XVLXNVKGSA-N 2 0 335.536 3.019 10 0 EGAERP C[C@@H](C(=O)NC[C@H]1CCC[N@H+](CC2CCCC2)C1)[NH+]1CCCCCC1 ZINC001480266165 1392650703 /nfs/dbraw/zinc/65/07/03/1392650703.db2.gz QEQCAVRLZDYRRT-AZUAARDMSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)C[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001480350494 1392699467 /nfs/dbraw/zinc/69/94/67/1392699467.db2.gz VJGXJMBYIIFBQE-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N1CCCC[C@H]1C[NH2+]CC(CC)CC ZINC001480349892 1392699695 /nfs/dbraw/zinc/69/96/95/1392699695.db2.gz LYEDMGGKWPLSIQ-OALUTQOASA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[NH2+]C[C@H]1CCCCN1C(=O)C1([NH+](C)C)CCC1 ZINC001480350115 1392699807 /nfs/dbraw/zinc/69/98/07/1392699807.db2.gz PQKPUQGGVNJFRG-IPLHWJFFSA-N 2 0 335.536 3.188 10 0 EGAERP CC(C)[C@@H](C(=O)NC[C@@H](C)[NH2+]CC1CC2(CCC2)C1)[NH+]1CCCCC1 ZINC001480597756 1392812699 /nfs/dbraw/zinc/81/26/99/1392812699.db2.gz UKBDBTQYOQPLME-MJGOQNOKSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1cc(C)cc(C[NH2+][C@@H](C)CCNC(=O)C(C)(C)[NH+]2CCCC2)c1 ZINC001480783439 1392931213 /nfs/dbraw/zinc/93/12/13/1392931213.db2.gz HAOAPVQLDGFYSS-SFHVURJKSA-N 2 0 345.531 3.162 10 0 EGAERP C[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CCC(C)(C)CC1 ZINC001480874348 1392993138 /nfs/dbraw/zinc/99/31/38/1392993138.db2.gz ANJQBILMBZYGLY-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NCC[N@H+](C)CCC2=CCCCC2)CC1 ZINC001480929215 1393025581 /nfs/dbraw/zinc/02/55/81/1393025581.db2.gz WDBHISXFUFVJQM-UHFFFAOYSA-N 2 0 335.536 3.045 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)CC(C)C ZINC001698880750 1406609406 /nfs/dbraw/zinc/60/94/06/1406609406.db2.gz XIUGPRMGRIZYMO-MOPGFXCFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)CCC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001481112502 1393122888 /nfs/dbraw/zinc/12/28/88/1393122888.db2.gz KEHDVFTWJRRECL-OALUTQOASA-N 2 0 337.552 3.124 10 0 EGAERP CC/C=C/CC[NH2+][C@H](C)C1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C)CC1 ZINC001481336997 1393166554 /nfs/dbraw/zinc/16/65/54/1393166554.db2.gz NXKWJLOXLQYVHE-UCHJRYNZSA-N 2 0 335.536 3.044 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@@H]([NH2+]CCC2=CCCCC2)[C@H](C)C1 ZINC001698900603 1406633128 /nfs/dbraw/zinc/63/31/28/1406633128.db2.gz JEWGMONYCHAMIC-IEBWSBKVSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)N2CCCC[C@H]2CC[NH2+]CCC2CCCC2)C1 ZINC001698919612 1406654262 /nfs/dbraw/zinc/65/42/62/1406654262.db2.gz CSPHJTGMZVYKMJ-PMACEKPBSA-N 2 0 349.563 3.269 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CCC2CCCCC2)C1 ZINC001698924213 1406659851 /nfs/dbraw/zinc/65/98/51/1406659851.db2.gz YNVTVKFZRVGPFE-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NC[C@H]([NH2+]CC=C(C)C)c1ccccc1 ZINC001481367603 1394206746 /nfs/dbraw/zinc/20/67/46/1394206746.db2.gz WPRJHIINZNIUBY-PMACEKPBSA-N 2 0 343.515 3.274 10 0 EGAERP C[NH+](C)CC1(C(=O)NC[C@H]([NH2+]CCC(C)(C)C)c2ccccc2)CC1 ZINC001481368617 1394208339 /nfs/dbraw/zinc/20/83/39/1394208339.db2.gz GUFFGTBSUMBSRC-SFHVURJKSA-N 2 0 345.531 3.212 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(C)C(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001490411075 1394218153 /nfs/dbraw/zinc/21/81/53/1394218153.db2.gz LORBKADMEKRMRZ-SNAWJCMRSA-N 2 0 347.547 3.142 10 0 EGAERP CC1CCC(C[NH2+][C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C2CC2)CC1 ZINC001490694300 1394297763 /nfs/dbraw/zinc/29/77/63/1394297763.db2.gz OWFUBUHXIAULPD-FAFZWHIHSA-N 2 0 349.563 3.172 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](CCNC(=O)[C@H](C)[NH+]2CCCCCC2)C1 ZINC001481451034 1394305870 /nfs/dbraw/zinc/30/58/70/1394305870.db2.gz PBTALKOXXUETSR-OALUTQOASA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)C[C@H]1CCCN(C(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001490768432 1394330638 /nfs/dbraw/zinc/33/06/38/1394330638.db2.gz NHYPUFYVHVTKCS-QUCCMNQESA-N 2 0 349.563 3.364 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@H](C[NH+](C)CCCC2CCC2)C1 ZINC001481485502 1394330812 /nfs/dbraw/zinc/33/08/12/1394330812.db2.gz HGMRVRCNVQZQRE-VQTJNVASSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@@H]1CCCN(C(=O)CCC[NH+](C)C)[C@H]1C[NH2+]CCC1CCCC1 ZINC001698949624 1406689536 /nfs/dbraw/zinc/68/95/36/1406689536.db2.gz IWLPKQYTMXKJAJ-MJGOQNOKSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCCC[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC[NH+](C)CC)C1 ZINC001490980744 1394391127 /nfs/dbraw/zinc/39/11/27/1394391127.db2.gz GETXTKGWGFCOQU-MOPGFXCFSA-N 2 0 337.552 3.221 10 0 EGAERP CCCCCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C(C)C)[NH+]1CCCCC1 ZINC001481683236 1394448008 /nfs/dbraw/zinc/44/80/08/1394448008.db2.gz PPJWCPDMJNXNNE-UFYCRDLUSA-N 2 0 349.563 3.362 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC[C@H](C[NH2+]CC2=CCCCC2)C1 ZINC001491187509 1394463434 /nfs/dbraw/zinc/46/34/34/1394463434.db2.gz SBHKEKDKGYOFIS-LJQANCHMSA-N 2 0 335.536 3.047 10 0 EGAERP C[NH+](C)CCCCC(=O)NC[C@H]1CCCC[N@@H+]1CC1CCCCC1 ZINC001491230859 1394485919 /nfs/dbraw/zinc/48/59/19/1394485919.db2.gz QGPNLGOWJVRMRK-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP C[C@H]1CCCN(C(=O)CCCC[NH+](C)C)[C@@H]1C[NH2+]CC1=CCCCC1 ZINC001698954148 1406697839 /nfs/dbraw/zinc/69/78/39/1406697839.db2.gz RJOMFWHUVXBHGE-AZUAARDMSA-N 2 0 349.563 3.435 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)C1 ZINC001481753278 1394497844 /nfs/dbraw/zinc/49/78/44/1394497844.db2.gz RJHAEXRQVJQKFY-MOPGFXCFSA-N 2 0 337.552 3.220 10 0 EGAERP CCC(CC)C[NH2+]C1CCC(NC(=O)C(C)(C)n2cnc(C)c2)CC1 ZINC001491355984 1394510343 /nfs/dbraw/zinc/51/03/43/1394510343.db2.gz JTHUJWZCPVWAPW-UHFFFAOYSA-N 2 0 348.535 3.380 10 0 EGAERP CC(C)[C@H](C(=O)NC1CCC([NH2+]CCC(C)(C)C)CC1)[NH+](C)C ZINC001491370833 1394514201 /nfs/dbraw/zinc/51/42/01/1394514201.db2.gz CDRFHPOLSBJXDS-OFLPRAFFSA-N 2 0 325.541 3.026 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccccc1C ZINC001481838427 1394553230 /nfs/dbraw/zinc/55/32/30/1394553230.db2.gz BVDRUBQJVWENKH-ROUUACIJSA-N 2 0 345.531 3.415 10 0 EGAERP CC(C)(C)CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001481899954 1394586050 /nfs/dbraw/zinc/58/60/50/1394586050.db2.gz KCVKEUAQBLMVDR-MSOLQXFVSA-N 2 0 349.563 3.458 10 0 EGAERP CCCCC[NH2+]CC1(NC(=O)[C@@H]2CCC[C@H]([NH+](C)C)C2)CCCC1 ZINC001481910551 1394591879 /nfs/dbraw/zinc/59/18/79/1394591879.db2.gz QWMQMIVVDBLDKG-MSOLQXFVSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)C[C@H](C)C[NH2+]CC1(NC(=O)C[C@@H]2CC[N@H+](C)C2)CCCC1 ZINC001481910151 1394591977 /nfs/dbraw/zinc/59/19/77/1394591977.db2.gz HJRYOYYCMYTHRY-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)CC[NH2+]C[C@@]1(NC(=O)C[N@H+](C)C2CCC2)CCCC[C@H]1C ZINC001481959138 1394619941 /nfs/dbraw/zinc/61/99/41/1394619941.db2.gz UYMXUGKOQFKJRF-XLIONFOSSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CC[C@H](NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001482018147 1394675374 /nfs/dbraw/zinc/67/53/74/1394675374.db2.gz BTWZHIKNPNSVKP-QAQDUYKDSA-N 2 0 335.536 3.068 10 0 EGAERP CCC(CC)C[NH2+][C@H]1CC[C@H](NC(=O)[C@H]2CCC[C@H]3CCC[N@@H+]32)CC1 ZINC001482024085 1394681698 /nfs/dbraw/zinc/68/16/98/1394681698.db2.gz LKICZIAHLNSKNM-LWYYNNOASA-N 2 0 349.563 3.457 10 0 EGAERP CC1CC(C[N@@H+]2CCC3(C2)CCN(C(=O)CCCC[NH+](C)C)CC3)C1 ZINC001482071905 1394735496 /nfs/dbraw/zinc/73/54/96/1394735496.db2.gz MKEZOCHQYDUZQF-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]C[C@H](C)CNC(=O)C2([NH+](C)C)CCC2)c1 ZINC001482108593 1394750745 /nfs/dbraw/zinc/75/07/45/1394750745.db2.gz TZTOLISFQLPNSC-WMZOPIPTSA-N 2 0 345.531 3.191 10 0 EGAERP CCCCCC[NH2+]C1(CNC(=O)C23CCC[NH+](CCC2)C3)CCCC1 ZINC001482221835 1394815129 /nfs/dbraw/zinc/81/51/29/1394815129.db2.gz FJIHCJCKRXNIRW-UHFFFAOYSA-N 2 0 349.563 3.461 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]1C(=O)N(C)[C@H](C)C[NH2+]CCCC(C)(C)C ZINC001482302240 1394877741 /nfs/dbraw/zinc/87/77/41/1394877741.db2.gz DMULTYWBOKXXKV-QZTJIDSGSA-N 2 0 339.568 3.370 10 0 EGAERP C[C@H](C[NH2+][C@H](C)c1cccc(F)c1)N(C)C(=O)C(C)(C)[NH+]1CCCC1 ZINC001482319259 1394889661 /nfs/dbraw/zinc/88/96/61/1394889661.db2.gz ZQTBJSFFHNDRQT-HZPDHXFCSA-N 2 0 349.494 3.198 10 0 EGAERP C[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C[NH2+]CC1CCCC1)C1CCCCC1 ZINC001482406702 1394970146 /nfs/dbraw/zinc/97/01/46/1394970146.db2.gz SZDFZZIGGCUKML-PMACEKPBSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@H](CNC(=O)CC[NH+](C)C)[NH2+]Cc1ccc2ccccc2c1 ZINC001698971030 1406735042 /nfs/dbraw/zinc/73/50/42/1406735042.db2.gz FSEJQVYNQFBBFD-FQEVSTJZSA-N 2 0 341.499 3.022 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)C2(C[NH+](C)C)CCCCC2)[C@H](C)C1 ZINC001483911824 1395141512 /nfs/dbraw/zinc/14/15/12/1395141512.db2.gz XQZIHMDYYGEBIR-MSOLQXFVSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([NH2+]CCC2CCCCC2)C[C@@H]1C ZINC001483915060 1395143160 /nfs/dbraw/zinc/14/31/60/1395143160.db2.gz CSHRHFOFROELBK-HKUYNNGSSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H]([NH2+]CCC1CCCC1)C(C)C ZINC001698980789 1406758133 /nfs/dbraw/zinc/75/81/33/1406758133.db2.gz NCLNNDBZBIZYOL-RTBURBONSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@H]([C@H]2CCCN(C(=O)C[N@@H+](C)CCC)C2)C1 ZINC001485082154 1395651405 /nfs/dbraw/zinc/65/14/05/1395651405.db2.gz MLXGTZPQNHOEIZ-ZBWOGFRMSA-N 2 0 349.563 3.245 10 0 EGAERP CN(CC[N@H+](C)CCC1CCCCC1)C(=O)[C@@H]1CC[C@@H]2CCCC[NH+]21 ZINC001698991928 1406784053 /nfs/dbraw/zinc/78/40/53/1406784053.db2.gz XIKZOUZNJOVKRQ-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP C[C@H]1CCC[C@@H](CC[NH2+]C[C@H]2C[C@H](NC(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001485694936 1396104709 /nfs/dbraw/zinc/10/47/09/1396104709.db2.gz YCAZVINKOPIPJT-VJANTYMQSA-N 2 0 349.563 3.029 10 0 EGAERP CC(C)CCC[N@H+](C)C1CCN(C(=O)[C@@H]2CC[C@H]3CCCC[NH+]32)CC1 ZINC001485759355 1396134687 /nfs/dbraw/zinc/13/46/87/1396134687.db2.gz RITKOPSSFVYUIE-UXHICEINSA-N 2 0 349.563 3.362 10 0 EGAERP CCC/C=C\CC[N@H+](C)C1CCN(C(=O)[C@@H](C(C)C)[NH+](C)C)CC1 ZINC001485767383 1396144129 /nfs/dbraw/zinc/14/41/29/1396144129.db2.gz YISSUICBSCVKJE-ZBTAVZRMSA-N 2 0 337.552 3.242 10 0 EGAERP CC(C)[C@@H](CCNC(=O)[C@H]1CC[N@H+](C)C1)[NH2+]CCC1CCCCC1 ZINC001485792515 1396155735 /nfs/dbraw/zinc/15/57/35/1396155735.db2.gz JDEFPMGFLMVOST-RBUKOAKNSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+]1CCC[C@@H]1C(=O)N(C)C[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001485871702 1396160355 /nfs/dbraw/zinc/16/03/55/1396160355.db2.gz DCEMFKXNYPYQJL-IEBWSBKVSA-N 2 0 337.552 3.266 10 0 EGAERP CC(C)(C)CC[NH2+]C[C@H]1CC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001486208228 1396182315 /nfs/dbraw/zinc/18/23/15/1396182315.db2.gz OPTXMQXILRATQH-DLBZAZTESA-N 2 0 337.552 3.172 10 0 EGAERP CCCCC[N@H+](C)CCN(C)C(=O)[C@H]1CC[NH+](C2CCCCC2)C1 ZINC001699000663 1406808967 /nfs/dbraw/zinc/80/89/67/1406808967.db2.gz DRCFFIUGMNYCON-SFHVURJKSA-N 2 0 337.552 3.221 10 0 EGAERP CC(C)=CC[N@H+]1Cc2ccc(CNC(=O)[C@H](C(C)C)[NH+](C)C)cc2C1 ZINC001502650873 1396213310 /nfs/dbraw/zinc/21/33/10/1396213310.db2.gz QGUMCPULLLEEHC-FQEVSTJZSA-N 2 0 343.515 3.171 10 0 EGAERP CCc1ccc(C[N@@H+]2CC[C@H](NC(=O)C[NH+](C)C(C)C)C[C@H]2C)cc1 ZINC001503023690 1396241653 /nfs/dbraw/zinc/24/16/53/1396241653.db2.gz PIXBXELZHWLRJS-XLIONFOSSA-N 2 0 345.531 3.058 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[NH2+][C@@H](C)CCNC(=O)C2CC[NH+](C)CC2)c1 ZINC001503457922 1396255122 /nfs/dbraw/zinc/25/51/22/1396255122.db2.gz KBXALFYMXIHUOK-ZWKOTPCHSA-N 2 0 345.531 3.191 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NCCC[C@H]2CCC[NH+]2CCC(C)(C)C)C1 ZINC001492176348 1396312622 /nfs/dbraw/zinc/31/26/22/1396312622.db2.gz XGDQKOJINNOBED-ROUUACIJSA-N 2 0 337.552 3.125 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NCCC[C@@H]2CCC[NH+]2CCCC2CCCC2)C1 ZINC001492179013 1396313209 /nfs/dbraw/zinc/31/32/09/1396313209.db2.gz UMDXVBWBDDBAHR-WOJBJXKFSA-N 2 0 349.563 3.269 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@@H]1CCC[NH+]1C)CC1CCCCCC1 ZINC001492972830 1396330479 /nfs/dbraw/zinc/33/04/79/1396330479.db2.gz SZUTXKPKTMOAIP-IBGZPJMESA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)C1CCN(C(=O)[C@H]2CCC[N@H+]2CC(C)C)CC1 ZINC001493831903 1396343620 /nfs/dbraw/zinc/34/36/20/1396343620.db2.gz QJDFTXKKMQFYBV-UYAOXDASSA-N 2 0 349.563 3.290 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@@H]1CCC[NH+](CCC2=CCCCC2)C1 ZINC001494294189 1396421970 /nfs/dbraw/zinc/42/19/70/1396421970.db2.gz XDIPBLAXJGJCRT-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001494501773 1396454631 /nfs/dbraw/zinc/45/46/31/1396454631.db2.gz QIUJOJMGIKZLGK-UHFFFAOYSA-N 2 0 347.547 3.023 10 0 EGAERP C[N@@H+]1CC[C@@H](CC(=O)NC2(C[NH2+]CCCC(C)(C)C)CCCC2)C1 ZINC001495203813 1396524513 /nfs/dbraw/zinc/52/45/13/1396524513.db2.gz NWFXRUFNALZTBC-KRWDZBQOSA-N 2 0 337.552 3.173 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)NCC1([NH2+]CCC(C)(C)C)CCCC1 ZINC001495917776 1396571905 /nfs/dbraw/zinc/57/19/05/1396571905.db2.gz GBYNCGWRUYUPMM-KRWDZBQOSA-N 2 0 337.552 3.316 10 0 EGAERP CC[C@H](C(=O)N1CCCC[C@H]1CC[NH2+]CC1=CCCCC1)[NH+](C)C ZINC001496407489 1396694229 /nfs/dbraw/zinc/69/42/29/1396694229.db2.gz VHONSQNLKJXIGX-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP CCCC[NH2+]C[C@H]1[C@@H](C)CCCN1C(=O)c1cccc(C[NH+](C)C)c1 ZINC001496491642 1396709398 /nfs/dbraw/zinc/70/93/98/1396709398.db2.gz NVZDBYRQNDWUGR-PXNSSMCTSA-N 2 0 345.531 3.379 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)N2CCC[C@H](C)[C@@H]2CC[NH2+]CC2CC2)CC1 ZINC001689055594 1396855998 /nfs/dbraw/zinc/85/59/98/1396855998.db2.gz JUVKRLPOQOAQFX-PXNSSMCTSA-N 2 0 349.563 3.124 10 0 EGAERP C[C@H](C[NH2+]CC1CC(C)(C)C1)NC(=O)[C@@H]1CCCC[N@@H+]1C1CCCC1 ZINC001497889677 1396873282 /nfs/dbraw/zinc/87/32/82/1396873282.db2.gz MLSRVCLRKNQLSS-APWZRJJASA-N 2 0 349.563 3.314 10 0 EGAERP C[C@@H]1CCN(C(=O)CC[NH+](C)C)[C@H](C[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001689098682 1396905517 /nfs/dbraw/zinc/90/55/17/1396905517.db2.gz WMWKXWNMZXXHRM-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP Cc1ccc(C)c(C[NH2+]C[C@H](C)NC(=O)[C@@H](C)[NH+]2CCCCCC2)c1 ZINC001498129924 1396923522 /nfs/dbraw/zinc/92/35/22/1396923522.db2.gz IUVOQKDRQLZDDO-RBUKOAKNSA-N 2 0 345.531 3.162 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C2(C[NH+](C)C)CC2)CC[N@@H+]1CCCC1CCCC1 ZINC001689184605 1396962545 /nfs/dbraw/zinc/96/25/45/1396962545.db2.gz MBAJTIDKAACNTB-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CCC/C=C\CC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001689262745 1396995652 /nfs/dbraw/zinc/99/56/52/1396995652.db2.gz VKLYGXIPZNZANS-IVCWSTDESA-N 2 0 349.563 3.434 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)CC2CC[NH+](C)CC2)C1 ZINC001689270300 1397002451 /nfs/dbraw/zinc/00/24/51/1397002451.db2.gz LPKDLBFIRIYLNN-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CCCC[N@@H+]1CC[C@H](NC(=O)CC[NH+](C)CCC)CC(C)(C)C1 ZINC001689365965 1403708107 /nfs/dbraw/zinc/70/81/07/1403708107.db2.gz SHPIRXFSWPOIPH-KRWDZBQOSA-N 2 0 325.541 3.125 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCCCN1C(=O)C[NH+]1CCCC1 ZINC001689911223 1404204169 /nfs/dbraw/zinc/20/41/69/1404204169.db2.gz CMKVAEHZPSEBLE-CQQBRXBZSA-N 2 0 335.536 3.188 10 0 EGAERP O=C(NCCC[N@H+](CCC1CCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001689996413 1404247054 /nfs/dbraw/zinc/24/70/54/1404247054.db2.gz XVAIXEGBMDKKAT-UHFFFAOYSA-N 2 0 347.547 3.166 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCC[NH+]2C(C)C)C1 ZINC001690046587 1404281083 /nfs/dbraw/zinc/28/10/83/1404281083.db2.gz MFVUHAXULVGGSJ-WLMAVBAVSA-N 2 0 335.536 3.186 10 0 EGAERP CC/C=C/CC[NH+]1CCC(N(CCC)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC001690134066 1404329788 /nfs/dbraw/zinc/32/97/88/1404329788.db2.gz DCKHNDSMWNEKKB-PORCLINASA-N 2 0 349.563 3.386 10 0 EGAERP O=C(NC[C@@H]([NH2+]CCCC1CCCC1)C1CC1)C12CCC[NH+]1CCC2 ZINC001690159332 1404357482 /nfs/dbraw/zinc/35/74/82/1404357482.db2.gz YFWQDSBROQTEHQ-LJQANCHMSA-N 2 0 347.547 3.070 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC[C@@H]([NH2+]CC2CCC(C)(C)CC2)C2CC2)C1 ZINC001690168341 1404367146 /nfs/dbraw/zinc/36/71/46/1404367146.db2.gz COUCKZYQGDIRDI-QFBILLFUSA-N 2 0 349.563 3.029 10 0 EGAERP O=C(N[C@H]1C[C@H]([NH2+]CCCC2CCCC2)C1)[C@@H]1CCC[C@@H]2CCC[N@@H+]21 ZINC001690291838 1404452422 /nfs/dbraw/zinc/45/24/22/1404452422.db2.gz BXGUTURSKFNUJN-WTGUMLROSA-N 2 0 347.547 3.211 10 0 EGAERP C[N@H+](C1CCCC1)C(C)(C)C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCC2)C1 ZINC001690345288 1404485317 /nfs/dbraw/zinc/48/53/17/1404485317.db2.gz OITNZGCEFOQFRI-HDICACEKSA-N 2 0 349.563 3.457 10 0 EGAERP C[N@@H+]1CC[C@H](CC(=O)NC[C@@H]2CCCC[NH+]2CC2CCCCCC2)C1 ZINC001690457896 1404586529 /nfs/dbraw/zinc/58/65/29/1404586529.db2.gz ULQQERXRDDFYGH-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001690480257 1404599748 /nfs/dbraw/zinc/59/97/48/1404599748.db2.gz IONVFWAEKQHGOB-RBUKOAKNSA-N 2 0 337.552 3.266 10 0 EGAERP Cc1ccccc1C[NH+]1CCC[C@@H]([C@@H](C)NC(=O)C[N@@H+](C)C(C)C)C1 ZINC001690505407 1404618399 /nfs/dbraw/zinc/61/83/99/1404618399.db2.gz SACNHAJFBVKTIR-UYAOXDASSA-N 2 0 345.531 3.052 10 0 EGAERP C[C@H](CNC(=O)C(C)(C)[NH+]1CCCCC1)[NH2+]CCCC1CCCC1 ZINC001690575706 1404637755 /nfs/dbraw/zinc/63/77/55/1404637755.db2.gz YOOOYKJMBRGRFZ-QGZVFWFLSA-N 2 0 337.552 3.316 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH2+]C[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001690735466 1404702903 /nfs/dbraw/zinc/70/29/03/1404702903.db2.gz ZNSRQKIFABWCEQ-QZTJIDSGSA-N 2 0 345.531 3.261 10 0 EGAERP CCC/C=C/CC[N@H+](C)[C@@H](C)CNC(=O)c1ccc2c[nH+]cn2c1C ZINC001725176172 1425692445 /nfs/dbraw/zinc/69/24/45/1425692445.db2.gz XFJAQDIVJSSCES-WAVCKPEOSA-N 2 0 342.487 3.439 10 0 EGAERP CC(C)(C)CC[NH2+][C@H]1CCC[C@H](NC(=O)C23CCC[NH+](CCC2)C3)C1 ZINC001690774015 1404722478 /nfs/dbraw/zinc/72/24/78/1404722478.db2.gz BSPARFJZDAWDAW-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP CCC(CC)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001690778327 1404727700 /nfs/dbraw/zinc/72/77/00/1404727700.db2.gz XYYCORHULHDURZ-QZTJIDSGSA-N 2 0 337.552 3.314 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NCC[C@@H](C)[NH2+]Cc1ccc(C)c(C)c1 ZINC001690881208 1404794366 /nfs/dbraw/zinc/79/43/66/1404794366.db2.gz MRDWJSPWNROLAY-UYAOXDASSA-N 2 0 345.531 3.162 10 0 EGAERP C[N@@H+]1CCCC[C@@H]1C(=O)NCCC[C@H]1CCC[NH+]1Cc1ccsc1 ZINC001690901239 1404808515 /nfs/dbraw/zinc/80/85/15/1404808515.db2.gz FCIATQOBOFDQRN-ZWKOTPCHSA-N 2 0 349.544 3.093 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)NCC[NH+](CC)[C@@H](C)c2ccccc2C)CC[N@@H+]1C ZINC001691020265 1404934446 /nfs/dbraw/zinc/93/44/46/1404934446.db2.gz QGHGMQFSCXJGJR-YSIASYRMSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](CCNC(=O)[C@H]1CCC[C@H]([NH+](C)C)C1)CC1CC2(CCC2)C1 ZINC001691048260 1404961651 /nfs/dbraw/zinc/96/16/51/1404961651.db2.gz VLYDHTXMGZHHSW-OALUTQOASA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]1CN(C)C(=O)c1cccc(C[NH+](C)C)c1 ZINC001691075276 1405008349 /nfs/dbraw/zinc/00/83/49/1405008349.db2.gz QWBWFFUSWZJGBU-LJQANCHMSA-N 2 0 331.504 3.085 10 0 EGAERP CCCCC[NH2+][C@H](C)C1CCN(C(=O)C(C)(C)c2cnc[nH]2)CC1 ZINC001732002694 1428213507 /nfs/dbraw/zinc/21/35/07/1428213507.db2.gz NLCCIJFWZPIBSD-OAHLLOKOSA-N 2 0 334.508 3.094 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)NC[C@H]1C[C@H]([NH2+]CC2CCCCCC2)C1 ZINC001691150149 1405083753 /nfs/dbraw/zinc/08/37/53/1405083753.db2.gz CAMCQXKLKYOMOC-UFYCRDLUSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[C@H](C(=O)NCC[N@H+](CC1=CCCCC1)C1CC1)[NH+]1CCCC1 ZINC001691236325 1405176214 /nfs/dbraw/zinc/17/62/14/1405176214.db2.gz ABCPOVCUNNSXPJ-HXUWFJFHSA-N 2 0 347.547 3.188 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)C23CCC[NH+](CCC2)C3)CC[N@@H+]1CCCC(C)C ZINC001691482403 1405295488 /nfs/dbraw/zinc/29/54/88/1405295488.db2.gz FTSJAMVDYMBKCW-RBUKOAKNSA-N 2 0 349.563 3.268 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1=CCCCC1 ZINC001691510826 1405311605 /nfs/dbraw/zinc/31/16/05/1405311605.db2.gz YCLSGSGTWUXPSD-RBUKOAKNSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@@H]([NH2+][C@@H]1CC[C@H](CNC(=O)CCC[NH+](C)C)C1)c1ccccc1F ZINC001691621672 1405361962 /nfs/dbraw/zinc/36/19/62/1405361962.db2.gz YHAUPTJUVTYZMG-IXDOHACOSA-N 2 0 349.494 3.103 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)C[N@H+](C)CC(C)(C)C)C1 ZINC001691628876 1405366796 /nfs/dbraw/zinc/36/67/96/1405366796.db2.gz DQBXXONPIYRAFV-QGZVFWFLSA-N 2 0 325.541 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@@H]([NH2+]CC2CC3(CCC3)C2)C1 ZINC001691636359 1405372099 /nfs/dbraw/zinc/37/20/99/1405372099.db2.gz FEVGFPHINGNVDS-LJQANCHMSA-N 2 0 349.563 3.269 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691691538 1405425787 /nfs/dbraw/zinc/42/57/87/1405425787.db2.gz AZYWCVNAOXNNQM-OOFWQKGWSA-N 2 0 335.536 3.045 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H](C)C1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC001691691540 1405425935 /nfs/dbraw/zinc/42/59/35/1405425935.db2.gz AZYWCVNAOXNNQM-XFHJGTJQSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCCC[C@H]2C[NH+](C)CCCC2CCC2)CC[N@@H+]1C ZINC001691784907 1405493618 /nfs/dbraw/zinc/49/36/18/1405493618.db2.gz TXXDCFRAYBBGCX-YZGWKJHDSA-N 2 0 349.563 3.220 10 0 EGAERP CC(C)(C)CCC[NH2+][C@@H](CNC(=O)C[NH+]1CCCC1)c1ccccc1 ZINC001691801100 1405514569 /nfs/dbraw/zinc/51/45/69/1405514569.db2.gz OPFCWNNLFUMPPZ-IBGZPJMESA-N 2 0 345.531 3.356 10 0 EGAERP CCC/C=C\CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCC[NH+]2C)CC(C)(C)C1 ZINC001691813117 1405525582 /nfs/dbraw/zinc/52/55/82/1405525582.db2.gz HFTMADSOFLFTCV-AWTIPJNISA-N 2 0 349.563 3.434 10 0 EGAERP CCC/C=C\CC[NH2+]C[C@@H]1C[C@H](C)CCN1C(=O)C[C@H]1CC[N@H+](C)C1 ZINC001691851598 1405566898 /nfs/dbraw/zinc/56/68/98/1405566898.db2.gz SCVQSXGLMHRICZ-VJQBDMSCSA-N 2 0 349.563 3.291 10 0 EGAERP C[C@H](C(=O)N1CCC[C@H](C[N@H+](C)CCC2CC2)C1)[NH+]1CCCCCC1 ZINC001731421028 1427399254 /nfs/dbraw/zinc/39/92/54/1427399254.db2.gz CIQBTZWJVJHGCT-UYAOXDASSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CCC[C@@H](C)[C@H]2CCC[NH2+]CCC2CC2)C1 ZINC001691895817 1405619001 /nfs/dbraw/zinc/61/90/01/1405619001.db2.gz ZKDFLEMHAUNICY-QWFCFKBJSA-N 2 0 349.563 3.125 10 0 EGAERP CC/C=C\CC[NH2+][C@@H]1CC[C@H](CNC(=O)[C@@H]2CCCC[N@@H+]2CC)C1 ZINC001691955098 1405673417 /nfs/dbraw/zinc/67/34/17/1405673417.db2.gz IITJLPALMLSOIT-CMZLPQLFSA-N 2 0 335.536 3.092 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@H]2CCC[NH+]2C(C)C)C1 ZINC001691961260 1405678798 /nfs/dbraw/zinc/67/87/98/1405678798.db2.gz HBGHMVWZUSPAIA-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CCC(CC)C[N@H+](C)C[C@H]1CCN(C(=O)[C@@H]2CCC[NH+]2C(C)C)C1 ZINC001691961257 1405679026 /nfs/dbraw/zinc/67/90/26/1405679026.db2.gz HBGHMVWZUSPAIA-MOPGFXCFSA-N 2 0 337.552 3.076 10 0 EGAERP CCC[NH2+]CC[C@@H]1[C@@H](C)CCCN1C(=O)c1ccc2c[nH+]cn2c1C ZINC001691999864 1405715829 /nfs/dbraw/zinc/71/58/29/1405715829.db2.gz PLSUNOHDIFYUTL-HNAYVOBHSA-N 2 0 342.487 3.273 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[NH2+]CC1CCCC1 ZINC001692006019 1405723283 /nfs/dbraw/zinc/72/32/83/1405723283.db2.gz WSTDNHFHKRPLAD-PKOBYXMFSA-N 2 0 337.552 3.125 10 0 EGAERP CCCCC[N@@H+]1CC[C@H](NC(=O)C[NH+](C)CC(C)(C)C)[C@H]1CC ZINC001692011820 1405730480 /nfs/dbraw/zinc/73/04/80/1405730480.db2.gz HVHMEBRWULGCAO-DLBZAZTESA-N 2 0 325.541 3.124 10 0 EGAERP CC[C@@H]1[C@@H](NC(=O)[C@@H]2CCCC[NH+]2CC)CC[N@@H+]1CCCC(C)C ZINC001692026916 1405745195 /nfs/dbraw/zinc/74/51/95/1405745195.db2.gz DJKHHPOAGSVOHG-OTWHNJEPSA-N 2 0 337.552 3.266 10 0 EGAERP CCC[N@H+](C)CC(=O)N1C[C@@H]2C[NH+](CCC3CCCCC3)CC[C@@H]2C1 ZINC001692082700 1405765258 /nfs/dbraw/zinc/76/52/58/1405765258.db2.gz GPSAYCCYFHCVNV-UXHICEINSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCC[NH2+][C@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692118091 1405780234 /nfs/dbraw/zinc/78/02/34/1405780234.db2.gz HYZBYOHNSLLKLW-GBESFXJTSA-N 2 0 337.552 3.268 10 0 EGAERP CCCCC[NH2+][C@@H]1CCCCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001692118090 1405780493 /nfs/dbraw/zinc/78/04/93/1405780493.db2.gz HYZBYOHNSLLKLW-CEXWTWQISA-N 2 0 337.552 3.268 10 0 EGAERP CCCC[NH2+][C@@H]1CCCCCN(C(=O)C(C)(C)[NH+]2CCCCC2)C1 ZINC001692118316 1405780838 /nfs/dbraw/zinc/78/08/38/1405780838.db2.gz MAOBYWMUHRBVMC-GOSISDBHSA-N 2 0 337.552 3.412 10 0 EGAERP CCCCCC[NH2+][C@@H]1CCCCCN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC001692124741 1405786030 /nfs/dbraw/zinc/78/60/30/1405786030.db2.gz PJRJKGKEVCIHGI-GOSISDBHSA-N 2 0 337.552 3.269 10 0 EGAERP CC(C)CC[NH2+][C@@H]1CCCCCN(C(=O)CCCC[NH+](C)C)C1 ZINC001692131979 1405789278 /nfs/dbraw/zinc/78/92/78/1405789278.db2.gz NENIKWCLTURGFD-GOSISDBHSA-N 2 0 325.541 3.125 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCCCC[C@H]([NH2+]CC(CC)CC)C1 ZINC001692132560 1405789978 /nfs/dbraw/zinc/78/99/78/1405789978.db2.gz ZQVVANIRGBGLBY-SFHVURJKSA-N 2 0 325.541 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N[C@H]1CCC[NH+](CCCC(C)(C)C)C1 ZINC001692162417 1405814371 /nfs/dbraw/zinc/81/43/71/1405814371.db2.gz WOBIFMBBVOPCLK-ZWKOTPCHSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)[N@@H+](C/C=C\Cl)CCCNC(=O)[C@@H]1CCCC[NH+]1C(C)C ZINC001732013545 1428228151 /nfs/dbraw/zinc/22/81/51/1428228151.db2.gz QTMQNYBDOFMCBR-JEZWAEDTSA-N 2 0 343.943 3.219 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@H](N(C)C(=O)C[NH+](C)CC(C)(C)C)C1 ZINC001698569126 1406172620 /nfs/dbraw/zinc/17/26/20/1406172620.db2.gz KBYVJZMHMKMZEX-BBVFFXRHSA-N 2 0 337.552 3.243 10 0 EGAERP CC[C@@H](C(=O)N(C)[C@H]1CC[N@H+](CCCC(C)(C)C)C1)[NH+](CC)CC ZINC001698570419 1406174645 /nfs/dbraw/zinc/17/46/45/1406174645.db2.gz UKCRBMISUQDIGD-ROUUACIJSA-N 2 0 339.568 3.466 10 0 EGAERP CC(C)[NH2+][C@@H](CNC(=O)[C@H](C)[NH+]1CCCCCC1)c1ccccc1 ZINC001732022672 1428240531 /nfs/dbraw/zinc/24/05/31/1428240531.db2.gz BNLBYWYMGOQGDC-HKUYNNGSSA-N 2 0 331.504 3.106 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@H]1CC[NH+](CC2=CCCCC2)C1 ZINC001732048082 1428285674 /nfs/dbraw/zinc/28/56/74/1428285674.db2.gz AHZZACNVAVIIQH-VQTJNVASSA-N 2 0 347.547 3.189 10 0 EGAERP CC(C)C[N@@H+]1CC[C@H](CCNC(=O)[C@@H]2CCCC[NH+]2C2CCCC2)C1 ZINC001732052403 1428293717 /nfs/dbraw/zinc/29/37/17/1428293717.db2.gz HRAJOIJQYXYWKE-ICSRJNTNSA-N 2 0 349.563 3.268 10 0 EGAERP CN(C(=O)CC[C@@H]1CCC[NH+]1C)[C@H]1CC[N@H+](CCCC2CCCC2)C1 ZINC001732166061 1428408490 /nfs/dbraw/zinc/40/84/90/1428408490.db2.gz UKTAJFBBGJNMCR-PMACEKPBSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(C)C(=O)CCC[NH+]2CCCCC2)C1 ZINC001732174212 1428419100 /nfs/dbraw/zinc/41/91/00/1428419100.db2.gz ANOFSUVYSFBEJZ-HMECNJMJSA-N 2 0 335.536 3.142 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCC[N@@H+]1CC(C)C)[NH2+]Cc1ccccc1C ZINC001732207893 1428456902 /nfs/dbraw/zinc/45/69/02/1428456902.db2.gz RAPKSAHXCSEKLL-PMACEKPBSA-N 2 0 345.531 3.100 10 0 EGAERP CC[C@H](CNC(=O)[C@@H]1CCCC[N@@H+]1CC)[NH2+]CC1CCCCCC1 ZINC001732219737 1428467870 /nfs/dbraw/zinc/46/78/70/1428467870.db2.gz AWHIGNIUOQUVOY-MOPGFXCFSA-N 2 0 337.552 3.316 10 0 EGAERP CC/C=C/CC[NH2+]CC1(NC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)CCCC1 ZINC001732231491 1428478225 /nfs/dbraw/zinc/47/82/25/1428478225.db2.gz QLTIQMQEEAFMIY-FKDQEEMOSA-N 2 0 347.547 3.378 10 0 EGAERP C[NH+](C)C1(C(=O)N2CCC[C@@H](CC[NH2+]CC3CC(C)(C)C3)C2)CCC1 ZINC001732272102 1428508487 /nfs/dbraw/zinc/50/84/87/1428508487.db2.gz NJJXJVXYEYJFCK-KRWDZBQOSA-N 2 0 349.563 3.125 10 0 EGAERP CCCCC[NH2+]CC[C@@H]1CCCN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC001732275746 1428509850 /nfs/dbraw/zinc/50/98/50/1428509850.db2.gz QCOYSVHUOBZXJY-GBESFXJTSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@H](CC[NH2+]CCC2CCCC2)C1 ZINC001732289470 1428515920 /nfs/dbraw/zinc/51/59/20/1428515920.db2.gz WOJFCBMVJWGOHK-LJQANCHMSA-N 2 0 337.552 3.125 10 0 EGAERP C[NH+](C)CCC(=O)NCc1ccc(C[NH2+]CC2CCCCCC2)cc1 ZINC001732318469 1428528672 /nfs/dbraw/zinc/52/86/72/1428528672.db2.gz HAORPWSNDXJHAV-UHFFFAOYSA-N 2 0 345.531 3.315 10 0 EGAERP CCCCCC[N@@H+]1CCC2(C1)CCN(C(=O)C[NH+](C)CCC)CC2 ZINC001732331995 1428538169 /nfs/dbraw/zinc/53/81/69/1428538169.db2.gz WPEAHWMYVVZTGE-UHFFFAOYSA-N 2 0 337.552 3.223 10 0 EGAERP CCC(CC)C[NH2+]C1(CNC(=O)[C@H]2CCC[C@@H]3CCC[N@@H+]32)CCCC1 ZINC001732397573 1428564682 /nfs/dbraw/zinc/56/46/82/1428564682.db2.gz QAXNMUGUIVHZBN-RTBURBONSA-N 2 0 349.563 3.458 10 0 EGAERP CCCC[NH2+]C1(CNC(=O)c2ccc(C[NH+](C)C)cc2)CCCC1 ZINC001732396868 1428564207 /nfs/dbraw/zinc/56/42/07/1428564207.db2.gz HWCJPMKHLHFMMO-UHFFFAOYSA-N 2 0 331.504 3.181 10 0 EGAERP CCCc1ccc(C[NH2+]C[C@H](C)N(C)C(=O)[C@H]2CCCC[N@@H+]2C)cc1 ZINC001732425341 1428575828 /nfs/dbraw/zinc/57/58/28/1428575828.db2.gz DVZVFSUMZRGLBJ-FXAWDEMLSA-N 2 0 345.531 3.060 10 0 EGAERP CCc1ccc(C[NH2+]C[C@@H](C)N(C)C(=O)CC[C@H]2CCC[N@@H+]2C)cc1 ZINC001732425330 1428575842 /nfs/dbraw/zinc/57/58/42/1428575842.db2.gz QNUAKJJGIYJVGD-YLJYHZDGSA-N 2 0 345.531 3.060 10 0 EGAERP CC(C)C[C@@H](C[NH2+]CC1CC2(CCC2)C1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001732461722 1428593274 /nfs/dbraw/zinc/59/32/74/1428593274.db2.gz VUGRWGSLOJKBQA-NZSAHSFTSA-N 2 0 349.563 3.027 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+]CCC1=CCCCC1 ZINC001699258634 1412601498 /nfs/dbraw/zinc/60/14/98/1412601498.db2.gz XQGLYTKEFNSTPA-OVKVCFKUSA-N 2 0 333.520 3.012 10 0 EGAERP O=C(NC/C=C\C[NH2+]CC1CCCC1)[C@@H]1CC[N@@H+](C2CCCCC2)C1 ZINC001699258615 1412601821 /nfs/dbraw/zinc/60/18/21/1412601821.db2.gz JCYZKHAOTXZKFQ-LIXSYLKWSA-N 2 0 347.547 3.093 10 0 EGAERP CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C[NH2+]Cc1ccc(C(C)C)cc1 ZINC001699365160 1412671534 /nfs/dbraw/zinc/67/15/34/1412671534.db2.gz WQVJKLCWSRAYFW-XLIONFOSSA-N 2 0 345.531 3.279 10 0 EGAERP Cc1ccccc1C[NH2+]C[C@@H](C)NC(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001699368314 1412674511 /nfs/dbraw/zinc/67/45/11/1412674511.db2.gz AVSTXCIZRXXAEE-QGZVFWFLSA-N 2 0 345.531 3.242 10 0 EGAERP C[C@H](C[NH2+][C@@H]1CCc2ccccc21)NC(=O)CCCC[NH+]1CCCC1 ZINC001699391497 1412706230 /nfs/dbraw/zinc/70/62/30/1412706230.db2.gz NYBNLVHYGUSJEC-YLJYHZDGSA-N 2 0 343.515 3.034 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C)C[NH2+]CCCC(C)(C)C)C1 ZINC001699416822 1412730117 /nfs/dbraw/zinc/73/01/17/1412730117.db2.gz MXMWESHQDNGWAP-IRXDYDNUSA-N 2 0 325.541 3.029 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]CCC1CCCCCC1 ZINC001699432720 1412750909 /nfs/dbraw/zinc/75/09/09/1412750909.db2.gz DGWTXNNGCRKFSW-HKUYNNGSSA-N 2 0 337.552 3.316 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)N[C@@H](C)C[NH2+]Cc1c(C)cc(C)cc1C ZINC001699433632 1412752715 /nfs/dbraw/zinc/75/27/15/1412752715.db2.gz WHCZDPKLSHHLMJ-ICSRJNTNSA-N 2 0 345.531 3.081 10 0 EGAERP C[C@H](c1ccccc1F)[N@@H+](C)C[C@H](C)NC(=O)C(C)(C)[NH+]1CCCC1 ZINC001699452365 1412792882 /nfs/dbraw/zinc/79/28/82/1412792882.db2.gz GZOSXFLWZCHVEB-JKSUJKDBSA-N 2 0 349.494 3.198 10 0 EGAERP CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC1CCCCC1)C1CC1 ZINC001699575701 1412932335 /nfs/dbraw/zinc/93/23/35/1412932335.db2.gz IBRVURQKJYTRNW-WOJBJXKFSA-N 2 0 349.563 3.314 10 0 EGAERP C[NH+](C)CCCCC(=O)N1C[C@H]2CCC[C@@H](C1)[N@H+]2CCCC1CCC1 ZINC001699693295 1413100061 /nfs/dbraw/zinc/10/00/61/1413100061.db2.gz VLHMMRPUTQCZIR-BGYRXZFFSA-N 2 0 349.563 3.364 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCN1C(=O)C(C)(C)[NH+]1CCCCC1 ZINC001699750311 1413158539 /nfs/dbraw/zinc/15/85/39/1413158539.db2.gz IDKZIDIWYZCXGS-XFHJGTJQSA-N 2 0 335.536 3.188 10 0 EGAERP C[C@]1(C[NH2+]CC2CCC2)CCN(C(=O)[C@H]2CCC[N@@H+]2C2CCCC2)C1 ZINC001699838449 1413266812 /nfs/dbraw/zinc/26/68/12/1413266812.db2.gz UFNBAFFKMSQRCX-TZIWHRDSSA-N 2 0 347.547 3.022 10 0 EGAERP CC(C)=CC[NH2+]C[C@]1(C)CCN(C(=O)CC[N@@H+](C)C2CCCCC2)C1 ZINC001699846245 1413274652 /nfs/dbraw/zinc/27/46/52/1413274652.db2.gz IPYMXRRBSQYWHY-NRFANRHFSA-N 2 0 349.563 3.435 10 0 EGAERP CC1CCC(C[NH+]2CCC(C)(CNC(=O)C[NH+]3CCCC3)CC2)CC1 ZINC001699864536 1413300481 /nfs/dbraw/zinc/30/04/81/1413300481.db2.gz YBMORWNTKAXSHN-UHFFFAOYSA-N 2 0 349.563 3.127 10 0 EGAERP CC[C@@H](C(=O)NC[C@@]1(C)CCC[N@H+](CC2=CCCCC2)C1)[NH+](C)C ZINC001699875700 1413330773 /nfs/dbraw/zinc/33/07/73/1413330773.db2.gz XDKAXRYWGGVOMO-AZUAARDMSA-N 2 0 335.536 3.045 10 0 EGAERP Cc1cccc(C[NH+]2CCC[C@@](C)(CNC(=O)C[N@@H+](C)C(C)C)C2)c1 ZINC001699879381 1413343445 /nfs/dbraw/zinc/34/34/45/1413343445.db2.gz NKNKAPGMJHMMPI-NRFANRHFSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)C[NH2+][C@H](C)c1ccc(CNC(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)cc1 ZINC001700095282 1413510013 /nfs/dbraw/zinc/51/00/13/1413510013.db2.gz WIABYUKDVNWYCP-QKLQHJQFSA-N 2 0 345.531 3.340 10 0 EGAERP CC(C)=CC[NH2+][C@@H](C)c1ccc(CNC(=O)C[N@@H+]2CC[C@@H](C)C2)cc1 ZINC001700100626 1413518381 /nfs/dbraw/zinc/51/83/81/1413518381.db2.gz WRDBNIJAYWBVRE-MSOLQXFVSA-N 2 0 343.515 3.261 10 0 EGAERP CC(C)CC[NH2+]C[C@H]1CCCCN1C(=O)CCC[NH+]1CCCCC1 ZINC001700126308 1413541287 /nfs/dbraw/zinc/54/12/87/1413541287.db2.gz KGVCYKYMPNDMHC-LJQANCHMSA-N 2 0 337.552 3.269 10 0 EGAERP CC[C@H](C)C[NH2+]C[C@H]1CCCCN1C(=O)c1ccc(C[NH+](C)C)cc1 ZINC001700129479 1413545055 /nfs/dbraw/zinc/54/50/55/1413545055.db2.gz XLPOZDYOWDVXCS-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CCC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCC[NH+]2C)CC1 ZINC001700176588 1413585356 /nfs/dbraw/zinc/58/53/56/1413585356.db2.gz KAWGIFKUFJPSMJ-YSKLNCTFSA-N 2 0 335.536 3.188 10 0 EGAERP CC/C=C/CC[N@@H+]1CCC[C@@H](NC(=O)C[NH+](C)CC(C)(C)C)CC1 ZINC001700181161 1413594933 /nfs/dbraw/zinc/59/49/33/1413594933.db2.gz PUHPCYAYZCXGDK-LKGOPFMKSA-N 2 0 337.552 3.291 10 0 EGAERP CC(C)=CC[N@@H+]1CCC[C@@H](NC(=O)CCCC[NH+]2CCCC2)CC1 ZINC001700182386 1413597811 /nfs/dbraw/zinc/59/78/11/1413597811.db2.gz WMTQTKNJNRXEGX-LJQANCHMSA-N 2 0 335.536 3.189 10 0 EGAERP C[C@@H](Cc1c[nH]cn1)C(=O)N[C@H]1CCC[N@H+](CCC2CCCC2)CC1 ZINC001700203548 1413648452 /nfs/dbraw/zinc/64/84/52/1413648452.db2.gz SLPLHYJGSVIIQW-WMZOPIPTSA-N 2 0 346.519 3.139 10 0 EGAERP CC/C=C/CC[NH2+]C1(C)CCN(C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001700289167 1413738764 /nfs/dbraw/zinc/73/87/64/1413738764.db2.gz AJFYHKUHGQVPAA-GHOSXJJBSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@@H]1CC[NH+](C/C=C\c2ccccc2)[C@@H](C)C1 ZINC001700324072 1413793022 /nfs/dbraw/zinc/79/30/22/1413793022.db2.gz RMRLHQBZUJBXIW-QQXWZLKESA-N 2 0 343.515 3.009 10 0 EGAERP C[C@H](NC(=O)C12CCC[NH+](CCC1)C2)[C@H](C)[NH2+]CCC1CCCCC1 ZINC001700406040 1413943589 /nfs/dbraw/zinc/94/35/89/1413943589.db2.gz VQCOJEKOSSPJTB-ROUUACIJSA-N 2 0 349.563 3.316 10 0 EGAERP Cc1ccc(C[NH2+][C@@H](C)[C@H](C)NC(=O)C(C)(C)[NH+]2CCCC2)c(C)c1 ZINC001700411186 1413953383 /nfs/dbraw/zinc/95/33/83/1413953383.db2.gz DIGCKXCYXFNDDQ-ROUUACIJSA-N 2 0 345.531 3.161 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H]([NH2+]CC1CC(C)(C)C1)C(C)C ZINC001732573955 1428772428 /nfs/dbraw/zinc/77/24/28/1428772428.db2.gz SWDOHYWYYCOSMK-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP CCC/C=C/CC[NH2+]C1CCC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)CC1 ZINC001700438081 1414007241 /nfs/dbraw/zinc/00/72/41/1414007241.db2.gz UXKDERXKSKMDFA-WGWHRZATSA-N 2 0 349.563 3.434 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C/C=C\c1ccccc1 ZINC001700461654 1414061206 /nfs/dbraw/zinc/06/12/06/1414061206.db2.gz AJABRHZILJSWKV-OFCQAKPVSA-N 2 0 343.515 3.009 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)NC[C@@H](C)[NH+](C)CCC1=CCCCC1 ZINC001700485797 1414131649 /nfs/dbraw/zinc/13/16/49/1414131649.db2.gz ANHWSEGJVOGSEZ-IEBWSBKVSA-N 2 0 335.536 3.188 10 0 EGAERP CCC[N@H+](C)CC(=O)NC1(C[NH2+]CC2CCCCC2)CCCCC1 ZINC001700521002 1414176133 /nfs/dbraw/zinc/17/61/33/1414176133.db2.gz KCLNMARELQDQMS-UHFFFAOYSA-N 2 0 337.552 3.317 10 0 EGAERP CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC[NH+](C)CC1CCC(C)CC1 ZINC001732581334 1428788172 /nfs/dbraw/zinc/78/81/72/1428788172.db2.gz CLJNCEWOCSSYOY-ACBHZAAOSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)=CC[N@H+]1CCCCC[C@@H]1CNC(=O)[C@H](C(C)C)[NH+]1CCCC1 ZINC001700531885 1414198902 /nfs/dbraw/zinc/19/89/02/1414198902.db2.gz QTHJBSXLCHIJPE-UXHICEINSA-N 2 0 349.563 3.434 10 0 EGAERP Cc1cc(C)cc(C[NH2+]CCC[C@@H](C)NC(=O)C2([NH+](C)C)CCC2)c1 ZINC001700677301 1414332713 /nfs/dbraw/zinc/33/27/13/1414332713.db2.gz CSUBKPLAKHPPNU-GOSISDBHSA-N 2 0 345.531 3.162 10 0 EGAERP CN(C(=O)[C@@H]1CCCC[N@@H+]1C)[C@H](C[NH2+]CCCC(C)(C)C)C1CC1 ZINC001700725237 1414386626 /nfs/dbraw/zinc/38/66/26/1414386626.db2.gz SJIDYJSVUNOTGM-ZWKOTPCHSA-N 2 0 337.552 3.124 10 0 EGAERP C[C@H](CN(C)C(=O)[C@H]1CCCC[N@@H+]1C)[NH2+]CCC1CCCCCC1 ZINC001700755337 1414425889 /nfs/dbraw/zinc/42/58/89/1414425889.db2.gz KEZZJGQRJGUJEY-IEBWSBKVSA-N 2 0 337.552 3.268 10 0 EGAERP C[C@@H](CN(C)C(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1cccc(F)c1 ZINC001700758375 1414431024 /nfs/dbraw/zinc/43/10/24/1414431024.db2.gz ABHJFQZIOMYQQX-HOTGVXAUSA-N 2 0 349.494 3.198 10 0 EGAERP CC[C@@H](C)C[NH2+][C@H](C)CN(C)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001700759580 1414431838 /nfs/dbraw/zinc/43/18/38/1414431838.db2.gz ILLIHMBOJWEMKK-HZPDHXFCSA-N 2 0 325.541 3.122 10 0 EGAERP CC(C)=CC[NH2+][C@@H]1CCN(C(=O)CC[N@H+](C)C2CCCCC2)[C@H]1C ZINC001700824698 1414480514 /nfs/dbraw/zinc/48/05/14/1414480514.db2.gz XRFLCCDYYHFKPS-PKOBYXMFSA-N 2 0 335.536 3.186 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1C[C@H]([NH2+]CCCC(C)(C)C)C[C@H]1C ZINC001700850658 1414498885 /nfs/dbraw/zinc/49/88/85/1414498885.db2.gz HHGUWWKARQMYOD-IAGOWNOFSA-N 2 0 325.541 3.124 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)CCC[NH+]3CCCCC3)C[C@H]21 ZINC001700872558 1414525958 /nfs/dbraw/zinc/52/59/58/1414525958.db2.gz GFACNGIHSNIWMD-VAMGGRTRSA-N 2 0 349.563 3.269 10 0 EGAERP C[C@@H]1[C@H](NC(=O)CCCC[NH+](C)C)CCC[N@@H+]1Cc1ccccc1F ZINC001700890830 1414549403 /nfs/dbraw/zinc/54/94/03/1414549403.db2.gz XBABIWHCRKVDET-VQIMIIECSA-N 2 0 349.494 3.027 10 0 EGAERP C[NH+](C)CCC(=O)NC1(C2CC[NH+](CCCC3CCCC3)CC2)CC1 ZINC001701031027 1414694004 /nfs/dbraw/zinc/69/40/04/1414694004.db2.gz ULTQBMSFIIZHAT-UHFFFAOYSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[C@@H](C(=O)N(C)C1CC([NH2+]CC2CC(C)(C)C2)C1)[NH+]1CCCC1 ZINC001701031841 1414694817 /nfs/dbraw/zinc/69/48/17/1414694817.db2.gz WMLVVRBWHGGDHL-ACBHZAAOSA-N 2 0 349.563 3.122 10 0 EGAERP C[C@H](C[NH2+]CC1CCC(C)CC1)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC001732953791 1429078334 /nfs/dbraw/zinc/07/83/34/1429078334.db2.gz JFPDJZWXRMUION-LXPRWKDFSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)c1ccccc1C[NH2+]C[C@@H](C)NC(=O)CC[C@H]1CCC[N@@H+]1C ZINC001732959268 1429082576 /nfs/dbraw/zinc/08/25/76/1429082576.db2.gz YNKSYCVODOARJR-IEBWSBKVSA-N 2 0 345.531 3.279 10 0 EGAERP CCC/C=C/CC[NH2+][C@H]1C[C@H](CNC(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC001707084854 1417191998 /nfs/dbraw/zinc/19/19/98/1417191998.db2.gz LPBBTPAOLMWBTN-SXWQNMERSA-N 2 0 347.547 3.234 10 0 EGAERP CCCC[NH2+][C@H]1CCCCCN(C(=O)[C@@H]2CCC[N@H+](CCC)C2)C1 ZINC001707234771 1417255853 /nfs/dbraw/zinc/25/58/53/1417255853.db2.gz OFFRLOPFPBVLMM-MOPGFXCFSA-N 2 0 337.552 3.269 10 0 EGAERP CCC[N@H+](C)C[C@@H]1CCCCN1C(=O)CC[NH+](C)C1CCCCC1 ZINC001707271645 1417277426 /nfs/dbraw/zinc/27/74/26/1417277426.db2.gz JTOTWUUTMIYVDN-IBGZPJMESA-N 2 0 337.552 3.364 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCCN1C(=O)C12CC[NH+](CC1)C2 ZINC001707447307 1417351500 /nfs/dbraw/zinc/35/15/00/1417351500.db2.gz QJCNXKXTKRAAKS-YSKLNCTFSA-N 2 0 347.547 3.188 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CCC[NH+]1C(C)C)CCC(C)(C)C ZINC001707451282 1417354905 /nfs/dbraw/zinc/35/49/05/1417354905.db2.gz FRPICWYRDJSOIP-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP CC[N@H+](CCCNC(=O)C[NH+]1CCC(C)CC1)Cc1ccc(C)cc1 ZINC001707465032 1417365632 /nfs/dbraw/zinc/36/56/32/1417365632.db2.gz CRZGNYITAXAYRR-UHFFFAOYSA-N 2 0 345.531 3.055 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NCCC[NH+](C)[C@H](C)c1ccccc1 ZINC001712990937 1417542600 /nfs/dbraw/zinc/54/26/00/1417542600.db2.gz KCAULSNWDXLGPU-MJGOQNOKSA-N 2 0 331.504 3.060 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@@H]1CC[NH+](C)[C@@H]1C)[C@@H](C)c1ccccc1F ZINC001713013334 1417566340 /nfs/dbraw/zinc/56/63/40/1417566340.db2.gz TUQYQWHULUSJQQ-SOLBZPMBSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)c1ccc([C@@H](C)[NH+]2CC[C@H](NC(=O)C[N@@H+](C)C(C)C)C2)cc1 ZINC001713089272 1417635957 /nfs/dbraw/zinc/63/59/57/1417635957.db2.gz NCVKACDHQMAISL-XLIONFOSSA-N 2 0 345.531 3.402 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H]1CCC[NH+]1CC(C)C ZINC001713141851 1417724053 /nfs/dbraw/zinc/72/40/53/1417724053.db2.gz MORWAFMBMMGXJT-HSALFYBXSA-N 2 0 349.563 3.218 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CCC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001713244761 1417830850 /nfs/dbraw/zinc/83/08/50/1417830850.db2.gz WATBSGWQADPVAR-IBGZPJMESA-N 2 0 335.536 3.047 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H]1CCCCN1C(=O)[C@@H](C(C)C)[NH+]1CCCC1 ZINC001713269147 1417878590 /nfs/dbraw/zinc/87/85/90/1417878590.db2.gz WZLPVNBNCVWMEB-DXPXIUTNSA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C\CC[N@@H+]1CCC[C@@H]1[C@H]1CCCCN1C(=O)CC[NH+](C)C ZINC001713270954 1417883779 /nfs/dbraw/zinc/88/37/79/1417883779.db2.gz VZTASDNJDXOEKH-CQQBRXBZSA-N 2 0 335.536 3.140 10 0 EGAERP C[NH+](C)CC1(C(=O)N[C@@H]2CCC[C@@H]([NH2+]CCC3CCCCC3)C2)CC1 ZINC001713379018 1417989282 /nfs/dbraw/zinc/98/92/82/1417989282.db2.gz MTUZOIZCMKRYBP-RTBURBONSA-N 2 0 349.563 3.316 10 0 EGAERP CCC[NH2+]C[C@H]1CCCC[C@H]1NC(=O)c1ccccc1CC[NH+](C)C ZINC001733075053 1429230011 /nfs/dbraw/zinc/23/00/11/1429230011.db2.gz KMGCOARXCJBYRD-UYAOXDASSA-N 2 0 345.531 3.079 10 0 EGAERP C[C@H](CCNC(=O)[C@@H]1CCCC[N@@H+]1C)[NH2+]CC/C=C\c1ccccc1 ZINC001713414917 1418038316 /nfs/dbraw/zinc/03/83/16/1418038316.db2.gz QGQANUZOKUCTGY-UMAYQZLQSA-N 2 0 343.515 3.059 10 0 EGAERP CC[N@H+](C)CCC(=O)NC[C@@H]1CCC[NH+]1Cc1c(C)cc(C)cc1C ZINC001713518391 1418256229 /nfs/dbraw/zinc/25/62/29/1418256229.db2.gz WZNAXBLXYFRFEI-IBGZPJMESA-N 2 0 345.531 3.034 10 0 EGAERP CCC[N@H+](CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C)Cc1cccc(F)c1 ZINC001713551860 1418335890 /nfs/dbraw/zinc/33/58/90/1418335890.db2.gz CIOVHRJIHBXXES-IRXDYDNUSA-N 2 0 349.494 3.027 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1)c1cccc(F)c1 ZINC001733121639 1429250734 /nfs/dbraw/zinc/25/07/34/1429250734.db2.gz IUOLXQGOXMOMBV-BQFCYCMXSA-N 2 0 349.494 3.055 10 0 EGAERP CC(C)CC[NH2+][C@H](C)C1CCN(C(=O)CC[NH+]2CCCCC2)CC1 ZINC001713684114 1418436774 /nfs/dbraw/zinc/43/67/74/1418436774.db2.gz HOHCDPSGVZQCLX-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CCCC[NH2+][C@H](CNC(=O)[C@@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001713702861 1418461581 /nfs/dbraw/zinc/46/15/81/1418461581.db2.gz QBIVAZVFDINPTB-MOPGFXCFSA-N 2 0 331.504 3.106 10 0 EGAERP CCCN(C(=O)CCC[NH+](C)C)[C@@H]1CC[N@H+](CCC(C)(C)C)C1 ZINC001713719685 1418489227 /nfs/dbraw/zinc/48/92/27/1418489227.db2.gz FXRRUMQAZXSHAG-QGZVFWFLSA-N 2 0 325.541 3.077 10 0 EGAERP Cc1ccc(C[NH2+]CCCN(C)C(=O)CC[NH+]2CCCCC2)cc1C ZINC001733146246 1429262296 /nfs/dbraw/zinc/26/22/96/1429262296.db2.gz FSLNQQOHCMTXRU-UHFFFAOYSA-N 2 0 345.531 3.118 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NCC[C@@H]1CC[NH+](CCC(C)(C)C)C1 ZINC001713731999 1418520131 /nfs/dbraw/zinc/52/01/31/1418520131.db2.gz WPSKFQPMUGOAKS-QZTJIDSGSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)c1ccc(C[NH+]2CCC(N(C)C(=O)CC[NH+](C)C)CC2)cc1 ZINC001713783730 1418599858 /nfs/dbraw/zinc/59/98/58/1418599858.db2.gz UVMLMHPKVPIIJP-UHFFFAOYSA-N 2 0 345.531 3.185 10 0 EGAERP CCCCC[NH+]1CCC(N(C)C(=O)[C@H](C(C)C)[NH+]2CCCC2)CC1 ZINC001713785190 1418601747 /nfs/dbraw/zinc/60/17/47/1418601747.db2.gz MQZRBOCTAJLFSS-IBGZPJMESA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH+](C)C[C@@H]1CCCN(C(=O)[C@@H]2CCCC[N@H+]2C(C)C)C1 ZINC001713896854 1418695223 /nfs/dbraw/zinc/69/52/23/1418695223.db2.gz LEARCDVUBYTRBV-PMACEKPBSA-N 2 0 349.563 3.386 10 0 EGAERP CC(C)CC[N@H+](C)C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)C1 ZINC001713899817 1418699248 /nfs/dbraw/zinc/69/92/48/1418699248.db2.gz KBSBKZHJTRVCQI-LJQANCHMSA-N 2 0 337.552 3.079 10 0 EGAERP Cc1ccc(C)c([C@@H](C)[N@@H+]2CC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)C2)c1 ZINC001713973369 1418753093 /nfs/dbraw/zinc/75/30/93/1418753093.db2.gz HTNWSXAYWQHODO-GGPKGHCWSA-N 2 0 345.531 3.141 10 0 EGAERP C[N@H+](CCC(=O)N[C@H]1C[C@@H]([NH2+]CC2=CCCCC2)C1)C1CCCCC1 ZINC001713998499 1418777322 /nfs/dbraw/zinc/77/73/22/1418777322.db2.gz SEAUHAPSCAYXMA-KDURUIRLSA-N 2 0 347.547 3.378 10 0 EGAERP CC[C@H](C(=O)N[C@H]1C[C@@H]([NH2+]CC2CCCCCC2)C1)[NH+](CC)CC ZINC001714007015 1418786774 /nfs/dbraw/zinc/78/67/74/1418786774.db2.gz GDSWWXFSFWRIKX-CEXWTWQISA-N 2 0 337.552 3.314 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@H](N(CC)C(=O)CC[C@@H]2CCC[NH+]2C)C1 ZINC001714040390 1418829823 /nfs/dbraw/zinc/82/98/23/1418829823.db2.gz PTJIBTGLQLBAAS-RJCMGOLDSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[N@H+](C)CC(=O)N(CC)[C@@H]1CC[NH+](CCC2=CCCCC2)C1 ZINC001714049828 1418847986 /nfs/dbraw/zinc/84/79/86/1418847986.db2.gz LIMPEPGHXXLNGP-LJQANCHMSA-N 2 0 335.536 3.142 10 0 EGAERP CCCCC[NH2+]C[C@@H]1CCCN(C(=O)C2CC[NH+](C(C)C)CC2)C1 ZINC001714086442 1418880205 /nfs/dbraw/zinc/88/02/05/1418880205.db2.gz MAPQKRJAADWPCO-SFHVURJKSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](CNC(=O)[C@@H]1CCCC[N@@H+]1C(C)C)[NH2+]Cc1cccc(F)c1 ZINC001714106808 1418906334 /nfs/dbraw/zinc/90/63/34/1418906334.db2.gz MBRUHFZTEYLPMM-OALUTQOASA-N 2 0 349.494 3.073 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)NC2(C[NH2+]CCC3CCCCC3)CCCC2)C1 ZINC001714141019 1418943331 /nfs/dbraw/zinc/94/33/31/1418943331.db2.gz CPESLHWCXJWBES-SFHVURJKSA-N 2 0 349.563 3.317 10 0 EGAERP CCCC[NH2+][C@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C[C@@H]1CC ZINC001733195533 1429297585 /nfs/dbraw/zinc/29/75/85/1429297585.db2.gz CJBZSNQIWBVSAO-ICSRJNTNSA-N 2 0 345.531 3.379 10 0 EGAERP CC[C@@H](C)C[NH2+]C1CCC(NC(=O)c2cccc(C[NH+](C)C)c2)CC1 ZINC001714199821 1419004573 /nfs/dbraw/zinc/00/45/73/1419004573.db2.gz HSCOXKSZWGRDGU-PBPGXSGUSA-N 2 0 345.531 3.425 10 0 EGAERP CCCC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccccc2CC[NH+](C)C)C1 ZINC001714406768 1419148129 /nfs/dbraw/zinc/14/81/29/1419148129.db2.gz ILMZCKBHEQWWLD-RTBURBONSA-N 2 0 345.531 3.221 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CCC[C@@H]([NH2+]CCCC(C)(C)C)C1 ZINC001714411061 1419150150 /nfs/dbraw/zinc/15/01/50/1419150150.db2.gz JHMGCRVWCDPERU-SJORKVTESA-N 2 0 325.541 3.172 10 0 EGAERP CCCC[NH2+][C@H]1CCC[C@H](NC(=O)c2cccc(C[NH+](C)C)c2)C1 ZINC001714418030 1419155204 /nfs/dbraw/zinc/15/52/04/1419155204.db2.gz UHERHLGXCXGFHQ-OALUTQOASA-N 2 0 331.504 3.179 10 0 EGAERP CC(C)CC[N@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C(C)C)[NH+]2CCCC2)C1 ZINC001714453135 1419185896 /nfs/dbraw/zinc/18/58/96/1419185896.db2.gz HDFADKGXJHPVDD-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CC(C)CC[N@@H+]1CCC[C@@H]1CCCNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001714522095 1419248262 /nfs/dbraw/zinc/24/82/62/1419248262.db2.gz KMWBTACFPOMLEF-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@@H](C)c1cccc(F)c1 ZINC001714585633 1419327062 /nfs/dbraw/zinc/32/70/62/1419327062.db2.gz YYRPBRLXRGXOJC-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CC[N@H+](CCNC(=O)CC[C@H]1CCC[NH+]1C)[C@H](C)c1cccc(F)c1 ZINC001714585634 1419327421 /nfs/dbraw/zinc/32/74/21/1419327421.db2.gz YYRPBRLXRGXOJC-VQIMIIECSA-N 2 0 349.494 3.199 10 0 EGAERP CC(C)(C(=O)NC[C@@H]1CCC[N@@H+]1CCCC1CCCC1)[NH+]1CCCC1 ZINC001714613844 1419374813 /nfs/dbraw/zinc/37/48/13/1419374813.db2.gz RBWZLRXMORHYQB-IBGZPJMESA-N 2 0 349.563 3.412 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@@H]1CNC(=O)C(C)(C)[NH+](C)C1CCCC1 ZINC001733216025 1429332279 /nfs/dbraw/zinc/33/22/79/1429332279.db2.gz KCPMJFNHSZWFOC-HPFMTEOYSA-N 2 0 335.536 3.186 10 0 EGAERP O=C(NCC[N@H+](CC1CCCCC1)C1CC1)[C@H]1CC[C@@H]2CCCC[NH+]12 ZINC001714665486 1419453352 /nfs/dbraw/zinc/45/33/52/1419453352.db2.gz KMHAYHSKYXHVNI-VQTJNVASSA-N 2 0 347.547 3.164 10 0 EGAERP C[C@@H](C[NH2+]CCC1CCCCC1)N(C)C(=O)C[N@H+](C)CC(C)(C)C ZINC001714751724 1419494233 /nfs/dbraw/zinc/49/42/33/1419494233.db2.gz PRGHDFCDSPJYGG-KRWDZBQOSA-N 2 0 339.568 3.371 10 0 EGAERP CCC[N@H+](C)CC(=O)N(C)CC[NH2+]Cc1c(C)ccc2ccccc21 ZINC001714782787 1419506493 /nfs/dbraw/zinc/50/64/93/1419506493.db2.gz ARFMWIPPPXNPME-UHFFFAOYSA-N 2 0 341.499 3.038 10 0 EGAERP CC[C@@H](C)C[N@H+](C)C[C@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001714905716 1419648726 /nfs/dbraw/zinc/64/87/26/1419648726.db2.gz AGLMWIRWPOUYFM-RTBURBONSA-N 2 0 337.552 3.079 10 0 EGAERP CC1(C)CC(C[N@@H+]2CCC[C@H](NC(=O)CCCC[NH+]3CCCC3)C2)C1 ZINC001714925451 1419679384 /nfs/dbraw/zinc/67/93/84/1419679384.db2.gz KNHGTPIUQSTNCI-IBGZPJMESA-N 2 0 349.563 3.269 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H](N(C)C(=O)[C@@H](C(C)C)[NH+]2CCCCC2)C1 ZINC001715032327 1419765069 /nfs/dbraw/zinc/76/50/69/1419765069.db2.gz QLOXPDBTHAUTOU-RTBURBONSA-N 2 0 337.552 3.220 10 0 EGAERP C[C@@H]1CN(C(=O)C2(C[NH+](C)C)CC2)CC[C@@H]1[NH2+]CCC1CCCCC1 ZINC001715046819 1419787376 /nfs/dbraw/zinc/78/73/76/1419787376.db2.gz BKFOMLRRZVSXJS-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC[C@@H](CNC(=O)C(C)(C)[NH+]1CCCC1)[NH2+][C@@H](C)c1ccc(F)cc1 ZINC001715072268 1419807230 /nfs/dbraw/zinc/80/72/30/1419807230.db2.gz UNTMHXRSFBWFIE-YJBOKZPZSA-N 2 0 349.494 3.246 10 0 EGAERP CC[C@@H](CNC(=O)C[C@H]1CC[N@H+](C)C1)[NH2+]CC1CCC(C)(C)CC1 ZINC001715088218 1419828129 /nfs/dbraw/zinc/82/81/29/1419828129.db2.gz WRDFRUWNZBZJCF-MSOLQXFVSA-N 2 0 337.552 3.029 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@](C)(C[NH2+][C@@H](C)c1cccc(F)c1)C1CC1 ZINC001715129575 1419878685 /nfs/dbraw/zinc/87/86/85/1419878685.db2.gz ZPKIYEUKDKGRFQ-MGPUTAFESA-N 2 0 349.494 3.101 10 0 EGAERP C[N@@H+]1CCC[C@H]1CCC(=O)N1CCC[C@H](CC[NH2+]CC2CCCC2)C1 ZINC001715142557 1419889449 /nfs/dbraw/zinc/88/94/49/1419889449.db2.gz JYBGRNBPYYNBFS-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP C[NH+](C)CC1(C(=O)N2CCC[C@@H](CC[NH2+]CC3CC3)C2)CCCCC1 ZINC001715151729 1419896505 /nfs/dbraw/zinc/89/65/05/1419896505.db2.gz SYUIRGURYIZTNX-IBGZPJMESA-N 2 0 349.563 3.127 10 0 EGAERP Cc1ccc(C[NH2+][C@H]2CC[C@H](NC(=O)CCCC[NH+](C)C)CC2)cc1 ZINC001715189448 1419921655 /nfs/dbraw/zinc/92/16/55/1419921655.db2.gz GKNOLBRHPLEJHI-MXVIHJGJSA-N 2 0 345.531 3.244 10 0 EGAERP C[C@H](C(=O)NCc1ccc(C[NH2+]CCCF)cc1)[NH+]1CCCCCC1 ZINC001715197297 1419929006 /nfs/dbraw/zinc/92/90/06/1419929006.db2.gz QECSCYYKYDSNPQ-QGZVFWFLSA-N 2 0 349.494 3.017 10 0 EGAERP CCCCC[NH+]1CCC(CCNC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001715202276 1419935424 /nfs/dbraw/zinc/93/54/24/1419935424.db2.gz POUYKGTZFCKGQB-UHFFFAOYSA-N 2 0 335.536 3.023 10 0 EGAERP CC(C)(C(=O)N1CCC[C@@H]1C[NH2+]CCCC1CCC1)[NH+]1CCCCC1 ZINC001715209086 1419942594 /nfs/dbraw/zinc/94/25/94/1419942594.db2.gz YRRUGBSUEZICCZ-LJQANCHMSA-N 2 0 349.563 3.412 10 0 EGAERP CCC[N@@H+]1CCC[C@@H](C(=O)N2CCCC[C@H]2CC[NH2+]CC2CCC2)C1 ZINC001715214325 1419946107 /nfs/dbraw/zinc/94/61/07/1419946107.db2.gz IRWIYFGQERLRLT-UXHICEINSA-N 2 0 349.563 3.269 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NCC1([NH2+]CC2CCCC2)CCCC1 ZINC001715307145 1420015775 /nfs/dbraw/zinc/01/57/75/1420015775.db2.gz KHTIKMLSXAHYRI-IBGZPJMESA-N 2 0 349.563 3.458 10 0 EGAERP CC[N@H+](C)CCC(=O)N(C)[C@@H](C)C[NH2+]Cc1cc2ccccc2s1 ZINC001715366178 1420063044 /nfs/dbraw/zinc/06/30/44/1420063044.db2.gz NXNUJICKVRJUIN-HNNXBMFYSA-N 2 0 347.528 3.180 10 0 EGAERP C[C@H]1CCCN(C(=O)CCC[NH+]2CCCC2)[C@H]1C[NH2+]CC1CCCC1 ZINC001715438234 1420124018 /nfs/dbraw/zinc/12/40/18/1420124018.db2.gz OEVSULQXNDBSLR-ICSRJNTNSA-N 2 0 349.563 3.269 10 0 EGAERP O=C(NCC1([NH2+]CCC2CCCCC2)CC1)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC001733247853 1429394090 /nfs/dbraw/zinc/39/40/90/1429394090.db2.gz TYPXTZBTWQVSQR-MOPGFXCFSA-N 2 0 347.547 3.212 10 0 EGAERP CCC/C=C/CC[NH2+][C@H](C)[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC001715464919 1420144522 /nfs/dbraw/zinc/14/45/22/1420144522.db2.gz XXWXQMHLZGXBHR-ASIGSXEYSA-N 2 0 335.536 3.045 10 0 EGAERP CC(C)[C@H](CNC(=O)C(C)(C)[N@H+](C)C1CCCC1)[NH2+]CC1CCC1 ZINC001715594773 1420263708 /nfs/dbraw/zinc/26/37/08/1420263708.db2.gz JYTINWKIAHZSPH-SFHVURJKSA-N 2 0 337.552 3.170 10 0 EGAERP CC[C@H]([NH2+]C/C=C/CNC(=O)[C@H]1CCC[N@@H+]1C(C)C)c1ccccc1 ZINC001715811056 1420352277 /nfs/dbraw/zinc/35/22/77/1420352277.db2.gz BVJGTTPOQSGOQO-GUKSKWGUSA-N 2 0 343.515 3.273 10 0 EGAERP C[NH+](C)Cc1ccsc1C(=O)NC/C=C\C[NH2+]CC1=CCCCC1 ZINC001715824201 1420358088 /nfs/dbraw/zinc/35/80/88/1420358088.db2.gz LHIUTSHQJMMJPI-SREVYHEPSA-N 2 0 347.528 3.186 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)NC/C=C/C[NH2+][C@H](C)c1cccc(F)c1 ZINC001715828641 1420359023 /nfs/dbraw/zinc/35/90/23/1420359023.db2.gz XSGWHQVRKFBCTC-CHYGHELMSA-N 2 0 347.478 3.023 10 0 EGAERP C[C@H]([NH2+]C/C=C\CNC(=O)CC[C@@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001715829336 1420359801 /nfs/dbraw/zinc/35/98/01/1420359801.db2.gz SQFBPRAYYLZKKQ-PDNKVIRKSA-N 2 0 347.478 3.023 10 0 EGAERP CC[C@@H]([NH2+]C/C=C/CNC(=O)C[NH+]1CCC(C)CC1)c1ccccc1 ZINC001715884661 1420382595 /nfs/dbraw/zinc/38/25/95/1420382595.db2.gz INKNKHXSNHYAPS-AQKVLALTSA-N 2 0 343.515 3.132 10 0 EGAERP C[C@H](C[NH2+]CCCC1CCC1)NC(=O)[C@@H]1CCC[N@@H+]1C1CCCC1 ZINC001715931612 1420403908 /nfs/dbraw/zinc/40/39/08/1420403908.db2.gz HHJAZMKYLJZGLP-APWZRJJASA-N 2 0 335.536 3.068 10 0 EGAERP CCCCC[N@@H+]1CC[C@@H]2CN(C(=O)C[NH+](C)CC(C)(C)C)CC[C@@H]21 ZINC001716051760 1420515575 /nfs/dbraw/zinc/51/55/75/1420515575.db2.gz RGHNHDFGAVNMRP-MSOLQXFVSA-N 2 0 337.552 3.077 10 0 EGAERP C[NH+](C)Cc1cccc(C(=O)N[C@H]2CCC[C@H]2C[NH2+]CCC2CC2)c1 ZINC001716076112 1420530343 /nfs/dbraw/zinc/53/03/43/1420530343.db2.gz WGACRUICWIMSQT-PMACEKPBSA-N 2 0 343.515 3.036 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+]CC[C@H](C)NC(=O)C2(C[NH+](C)C)CC2)c1 ZINC001716168196 1420548934 /nfs/dbraw/zinc/54/89/34/1420548934.db2.gz BRVJZXLIZJQEEO-ROUUACIJSA-N 2 0 345.531 3.191 10 0 EGAERP C[C@H](CC[NH2+]CC1CCCCC1)NC(=O)c1ccc(C[NH+](C)C)cc1 ZINC001716181821 1420554851 /nfs/dbraw/zinc/55/48/51/1420554851.db2.gz RUSVHNHMEFDOJS-QGZVFWFLSA-N 2 0 345.531 3.427 10 0 EGAERP C[C@@H]1CCC[C@@H](CC[NH2+]C/C=C\CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001716329989 1420606402 /nfs/dbraw/zinc/60/64/02/1420606402.db2.gz NBPCCSDAXBQQBR-LSLCWXNRSA-N 2 0 349.563 3.339 10 0 EGAERP CC(C)[N@@H+]1CCCC[C@H]1C(=O)NC/C=C\C[NH2+]CCC1CCCC1 ZINC001716351537 1420614803 /nfs/dbraw/zinc/61/48/03/1420614803.db2.gz ZANPCTCTJLPISY-RURPWVQCSA-N 2 0 335.536 3.092 10 0 EGAERP C[C@H](C[N@H+](C)CC1CCC2(CC2)CC1)NC(=O)C[NH+]1CCC(C)CC1 ZINC001716499636 1420725940 /nfs/dbraw/zinc/72/59/40/1420725940.db2.gz LFABJEKVDBHWEU-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@H](C[N@H+](C)Cc1ccc(C(C)(C)C)cc1)NC(=O)C[NH+]1CCCC1 ZINC001716505132 1420735703 /nfs/dbraw/zinc/73/57/03/1420735703.db2.gz ASIKPDJLPWCTAQ-QGZVFWFLSA-N 2 0 345.531 3.016 10 0 EGAERP CC(C)=CC[NH2+]C[C@@H]1CCCC[C@H]1NC(=O)C12CCC[NH+](CCC1)C2 ZINC001716513405 1420743842 /nfs/dbraw/zinc/74/38/42/1420743842.db2.gz BIXBQJYJWPZQML-RBUKOAKNSA-N 2 0 347.547 3.093 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)CC[C@H]1CCC[N@@H+]1C)c1cccc(F)c1 ZINC001716547130 1420756867 /nfs/dbraw/zinc/75/68/67/1420756867.db2.gz GIXVQAIZQHBFFD-QFBILLFUSA-N 2 0 349.494 3.199 10 0 EGAERP CC/C=C/CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC001733272061 1429434682 /nfs/dbraw/zinc/43/46/82/1429434682.db2.gz GCKNPFNRFQHLBH-VFMMZKEQSA-N 2 0 347.547 3.186 10 0 EGAERP C[N@@H+]1CCC[C@@H]1CCC(=O)NC[C@@H]1CC[NH+]1CCC1CCCCC1 ZINC001716653945 1420807698 /nfs/dbraw/zinc/80/76/98/1420807698.db2.gz SBNUXMUMOWQGMO-MOPGFXCFSA-N 2 0 335.536 3.022 10 0 EGAERP CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)[C@@H](c1ccccc1)[N@H+](C)CC ZINC001733273083 1429435755 /nfs/dbraw/zinc/43/57/55/1429435755.db2.gz ZFSIVXAUJYROHJ-RAFMOHDBSA-N 2 0 343.515 3.201 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(CCN(C(=O)[C@H]3CCCC[NH+]3CC)C2)C1 ZINC001716733207 1420891779 /nfs/dbraw/zinc/89/17/79/1420891779.db2.gz BEEJAUBAPZLYHA-TZIWHRDSSA-N 2 0 349.563 3.366 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CC[C@H]([NH2+]CCCC2CCCC2)C[C@@H]1C ZINC001716768873 1420913760 /nfs/dbraw/zinc/91/37/60/1420913760.db2.gz HMKXEXSDQGLMQS-HKUYNNGSSA-N 2 0 337.552 3.266 10 0 EGAERP CC/C=C/CC[NH+]1CC[C@@]2(C1)CCCCN(C(=O)C[N@@H+](C)CCC)C2 ZINC001716829880 1420956407 /nfs/dbraw/zinc/95/64/07/1420956407.db2.gz FFGNCFDJXAUUCV-IRUYWQDXSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCCC[C@@]2(CC[NH+](CC3CCCC3)C2)C1 ZINC001716830097 1420956618 /nfs/dbraw/zinc/95/66/18/1420956618.db2.gz JFENUSJGFKGKJO-NRFANRHFSA-N 2 0 349.563 3.221 10 0 EGAERP C[C@@H](c1ccccc1F)[NH+]1CCC(C)(CNC(=O)CC[NH+](C)C)CC1 ZINC001716887785 1421011588 /nfs/dbraw/zinc/01/15/88/1421011588.db2.gz ZCVAMHHMJHVAND-INIZCTEOSA-N 2 0 349.494 3.057 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](CC)[NH+](C)C ZINC001717030898 1421084930 /nfs/dbraw/zinc/08/49/30/1421084930.db2.gz GSTGSEXFTRJSFI-OKMMTOMJSA-N 2 0 335.536 3.138 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)C[NH+]1CC[C@H](C)C1 ZINC001717038078 1421092388 /nfs/dbraw/zinc/09/23/88/1421092388.db2.gz NKUHQEZLSVVXBM-OAOPFVHKSA-N 2 0 347.547 3.140 10 0 EGAERP CC/C=C\CC[N@@H+]1C[C@@H]2CCCN(C(=O)CC[C@@H]3CCC[NH+]3C)[C@@H]2C1 ZINC001717041007 1421095726 /nfs/dbraw/zinc/09/57/26/1421095726.db2.gz RDAZAIHKRLDQQA-ODNCXDDGSA-N 2 0 347.547 3.140 10 0 EGAERP CCCCCC[N@@H+]1CCC[C@@H](NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001717201943 1421169823 /nfs/dbraw/zinc/16/98/23/1421169823.db2.gz LLGBFMDKEGZCGG-MSOLQXFVSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[N@@H+]1CCC[C@H](C(=O)N(C)CCC[NH+](C)CC2=CCCCC2)C1 ZINC001717210831 1421184301 /nfs/dbraw/zinc/18/43/01/1421184301.db2.gz UJSCZDVBKWDHLP-FQEVSTJZSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)C[N@@H+]1CCC[C@@H]([C@H]2CCCCN2C(=O)C[NH+](C)C(C)C)C1 ZINC001717216038 1421194044 /nfs/dbraw/zinc/19/40/44/1421194044.db2.gz CJTLPQCTDHILPB-RTBURBONSA-N 2 0 337.552 3.076 10 0 EGAERP CCC1([NH2+]CC2CC2)CCN(C(=O)CC[N@H+](C)C2CCCCC2)CC1 ZINC001717238546 1421206774 /nfs/dbraw/zinc/20/67/74/1421206774.db2.gz AJBHPYUCQOSZML-UHFFFAOYSA-N 2 0 349.563 3.412 10 0 EGAERP C[C@H]1C[C@@H](NC(=O)CCCC[NH+](C)C)CC[N@@H+]1CC1CC(C)(C)C1 ZINC001717334954 1421271872 /nfs/dbraw/zinc/27/18/72/1421271872.db2.gz BRWIODQWCYNTPA-WMZOPIPTSA-N 2 0 337.552 3.124 10 0 EGAERP CCC[N@H+](C)CC(=O)N[C@H]1CC[NH+](CCC2=CCCCC2)[C@@H](C)C1 ZINC001717336887 1421274105 /nfs/dbraw/zinc/27/41/05/1421274105.db2.gz TYDZVSZHVGHRQT-HKUYNNGSSA-N 2 0 335.536 3.188 10 0 EGAERP CC[N@H+](CC(C)C)CC1CCN(C(=O)C[NH+]2[C@@H](C)CC[C@@H]2C)CC1 ZINC001717357263 1421292761 /nfs/dbraw/zinc/29/27/61/1421292761.db2.gz FORCMTKRNGSVFG-ROUUACIJSA-N 2 0 337.552 3.076 10 0 EGAERP C[C@@H]1[C@H](C(=O)N2CCC[C@@H]2C[NH+](C)CCC2CCCCC2)CC[N@@H+]1C ZINC001717365218 1421300040 /nfs/dbraw/zinc/30/00/40/1421300040.db2.gz KKMIDTGUXXZXHK-MISYRCLQSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1CC[N@H+](CC(=O)N2CCC[C@@H]2C[NH+](C)CCC2CCCCC2)C1 ZINC001717370146 1421307644 /nfs/dbraw/zinc/30/76/44/1421307644.db2.gz CDQRFSDALUVKFI-AZUAARDMSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CCC1CCCCCC1)C[C@H]1CCCN1C(=O)[C@H]1CC[NH+](C)C1 ZINC001717375746 1421317241 /nfs/dbraw/zinc/31/72/41/1421317241.db2.gz BTORZCSEUDJWBP-VQTJNVASSA-N 2 0 349.563 3.221 10 0 EGAERP C[N@H+](CC(=O)NC1CC(C[NH2+]CCC2=CCCCC2)C1)CC(C)(C)C ZINC001717389801 1421328213 /nfs/dbraw/zinc/32/82/13/1421328213.db2.gz AUCYDEMQASXDSQ-UHFFFAOYSA-N 2 0 349.563 3.339 10 0 EGAERP C[C@@H](NC(=O)C(C)(C)[NH+]1CCCC1)[C@@H](C)[NH2+]Cc1ccc(CF)cc1 ZINC001717423425 1421353131 /nfs/dbraw/zinc/35/31/31/1421353131.db2.gz SIQMTXHGBSZJCG-HZPDHXFCSA-N 2 0 349.494 3.013 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N(C)CC(C)(C)C[NH2+]CC2=CCCCC2)CC[N@@H+]1C ZINC001717453543 1421383418 /nfs/dbraw/zinc/38/34/18/1421383418.db2.gz TWCHJTHZJLGBRZ-RBUKOAKNSA-N 2 0 349.563 3.291 10 0 EGAERP CCCC[NH2+]CC(C)(C)CN(C)C(=O)[C@H]1CCCC[N@@H+]1C(C)C ZINC001717458046 1421387501 /nfs/dbraw/zinc/38/75/01/1421387501.db2.gz DMHRIAAOXDKKDF-QGZVFWFLSA-N 2 0 325.541 3.124 10 0 EGAERP Cc1cccc(C)c1C[N@@H+](C)[C@H](C)CNC(=O)C(C)(C)[NH+]1CCCC1 ZINC001717483997 1421419478 /nfs/dbraw/zinc/41/94/78/1421419478.db2.gz QWHWGRAWJNPHFV-GOSISDBHSA-N 2 0 345.531 3.114 10 0 EGAERP CC[C@@H]1[C@@H](C(=O)N2CC[C@]3(CC[NH+](CCCC(C)C)C3)C2)CC[N@@H+]1C ZINC001733297480 1429480309 /nfs/dbraw/zinc/48/03/09/1429480309.db2.gz ZJIXUKCBLHWBCQ-ZVDOUQERSA-N 2 0 349.563 3.077 10 0 EGAERP CC[N@@H+]1CCCC[C@H]1C(=O)NC[C@H](C)[NH+](C)CCCC(C)(C)C ZINC001717500478 1421443917 /nfs/dbraw/zinc/44/39/17/1421443917.db2.gz TWVSUDVJPWBMQC-IRXDYDNUSA-N 2 0 325.541 3.124 10 0 EGAERP CCC[NH2+][C@@H](CCN(C)C(=O)[C@H](C)[NH+]1CCCCCC1)C(C)C ZINC001717516111 1421453047 /nfs/dbraw/zinc/45/30/47/1421453047.db2.gz ATUVUVSLRPYDNH-ROUUACIJSA-N 2 0 325.541 3.124 10 0 EGAERP CC(C)CC[N@@H+]1CCCCC[C@@H]1CNC(=O)C[C@H](C)n1ccnc1 ZINC001717540774 1421481284 /nfs/dbraw/zinc/48/12/84/1421481284.db2.gz SDFIRRGIPKQHOL-ZWKOTPCHSA-N 2 0 334.508 3.241 10 0 EGAERP CC(C)(C)CCC[N@@H+]1CCCCC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001717541422 1421482246 /nfs/dbraw/zinc/48/22/46/1421482246.db2.gz YKIYEKJXHKSPSK-SFHVURJKSA-N 2 0 349.563 3.269 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H](C)C1C[NH+](CC2CCC3(CC3)CC2)C1 ZINC001717561130 1421496985 /nfs/dbraw/zinc/49/69/85/1421496985.db2.gz ZCNIBKMLNMVJMZ-QGZVFWFLSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N[C@H](C)C1C[NH+](CCC2CCCCCC2)C1 ZINC001717564308 1421499032 /nfs/dbraw/zinc/49/90/32/1421499032.db2.gz FJCXTPABPKMYIX-QGZVFWFLSA-N 2 0 337.552 3.124 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCCCCC2)CC1(C)C ZINC001717587378 1421515870 /nfs/dbraw/zinc/51/58/70/1421515870.db2.gz DOIKROOFUYLUQM-GOSISDBHSA-N 2 0 337.552 3.125 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H]1C[NH+](CC2CCC3(CC3)CC2)CC1(C)C ZINC001717587982 1421516220 /nfs/dbraw/zinc/51/62/20/1421516220.db2.gz QBSXBZDSJUVUAZ-GOSISDBHSA-N 2 0 349.563 3.125 10 0 EGAERP C[NH+](C)CCC(=O)N[C@@H]1CC[C@H]2C[N@H+](CCC3CCCCC3)C[C@@H]2C1 ZINC001717624185 1421533128 /nfs/dbraw/zinc/53/31/28/1421533128.db2.gz PKHOFYHULFWLQZ-SLFFLAALSA-N 2 0 349.563 3.125 10 0 EGAERP C[C@@H]([NH2+]CCC[C@H](C)NC(=O)C1([NH+](C)C)CCC1)c1ccccc1F ZINC001717670296 1421559680 /nfs/dbraw/zinc/55/96/80/1421559680.db2.gz CPHSXZNYLVGTHF-JKSUJKDBSA-N 2 0 349.494 3.246 10 0 EGAERP CC(C)c1ccccc1C[N@H+](C)C1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001717703404 1421577066 /nfs/dbraw/zinc/57/70/66/1421577066.db2.gz IEAUSCFULVXKFM-UHFFFAOYSA-N 2 0 345.531 3.185 10 0 EGAERP C[NH+](C)CCCCC(=O)N1CCC([N@H+](C)CC2CCCCC2)CC1 ZINC001717705236 1421579620 /nfs/dbraw/zinc/57/96/20/1421579620.db2.gz LQODMQGNRMPPKH-UHFFFAOYSA-N 2 0 337.552 3.221 10 0 EGAERP C[C@@H]1C[C@H]([NH2+]CC2CCCCC2)CN1C(=O)CCCC[NH+]1CCCC1 ZINC001717830471 1421642885 /nfs/dbraw/zinc/64/28/85/1421642885.db2.gz SXRQMPGYYRDKSV-QUCCMNQESA-N 2 0 349.563 3.412 10 0 EGAERP CCCCCC[N@@H+]1CC[C@@]2(NC(=O)CC3CC[NH+](C)CC3)CCC[C@@H]12 ZINC001717839339 1421653471 /nfs/dbraw/zinc/65/34/71/1421653471.db2.gz GIHHXNYYLBUTMH-CTNGQTDRSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@]12CCC[C@@H]1[NH+](CCCC(C)(C)C)CC2 ZINC001717842325 1421657362 /nfs/dbraw/zinc/65/73/62/1421657362.db2.gz XVHFJCSAWGNSBX-FXAWDEMLSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@]2(NC(=O)C[NH+]3CC[C@H](C)C3)CCC[C@H]12 ZINC001717843710 1421658653 /nfs/dbraw/zinc/65/86/53/1421658653.db2.gz YLZQCKQUMIOHEL-VDURDUQRSA-N 2 0 347.547 3.188 10 0 EGAERP C[C@@H]1[C@@H](NC(=O)CC[NH+]2CCCCC2)CCC[N@@H+]1CC1=CCCCC1 ZINC001717862643 1421675383 /nfs/dbraw/zinc/67/53/83/1421675383.db2.gz NLYJFILNLOBBSA-QUCCMNQESA-N 2 0 347.547 3.332 10 0 EGAERP CC(C)CCC[NH2+]C[C@@H]1CC[C@@H](NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001717881010 1421685502 /nfs/dbraw/zinc/68/55/02/1421685502.db2.gz KZXBLSXJXUWDIM-RTBURBONSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C[NH2+]CCC(C)C)C(C)(C)C ZINC001717959827 1421731416 /nfs/dbraw/zinc/73/14/16/1421731416.db2.gz INGHBJJUMPQCFG-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP C[C@@H]1[C@H](C(=O)N[C@H](C[NH2+]CCCC(C)(C)C)C(C)(C)C)CC[N@@H+]1C ZINC001717959504 1421731534 /nfs/dbraw/zinc/73/15/34/1421731534.db2.gz NZZTYNYBVCAXIS-BRWVUGGUSA-N 2 0 339.568 3.273 10 0 EGAERP Cc1ccccc1[C@H](C)[NH2+]C[C@H](NC(=O)CC[NH+](C)C)C(C)(C)C ZINC001717967121 1421738801 /nfs/dbraw/zinc/73/88/01/1421738801.db2.gz XMWKCWWVNLCFHW-WMZOPIPTSA-N 2 0 333.520 3.128 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@@H](C[NH2+]CC1CCC1)C(C)(C)C)[NH+]1CCCC1 ZINC001717973983 1421745681 /nfs/dbraw/zinc/74/56/81/1421745681.db2.gz PJQZOESZNPQLJF-ROUUACIJSA-N 2 0 337.552 3.027 10 0 EGAERP CC/C=C\CC[NH+]1CCC([C@H](C)NC(=O)[C@H](C(C)C)[NH+](C)C)CC1 ZINC001717985326 1421758116 /nfs/dbraw/zinc/75/81/16/1421758116.db2.gz FYNITZWCEYBBQB-KTUYXQPPSA-N 2 0 337.552 3.146 10 0 EGAERP CC[C@H](C(=O)NC1(C2CC[NH+](CC3=CCCCC3)CC2)CC1)[NH+](C)C ZINC001718003149 1421769490 /nfs/dbraw/zinc/76/94/90/1421769490.db2.gz DUMUWXKWXPBAHP-LJQANCHMSA-N 2 0 347.547 3.188 10 0 EGAERP CN(C(=O)CC[NH+]1CCCCC1)C1C[NH+](CCC2CCCCCC2)C1 ZINC001733318076 1429503635 /nfs/dbraw/zinc/50/36/35/1429503635.db2.gz UZJQLQXFHDCOKI-UHFFFAOYSA-N 2 0 349.563 3.366 10 0 EGAERP CC/C=C\CC[NH2+]C[C@@H](NC(=O)C12CCC[NH+]1CCC2)C1CCCC1 ZINC001733379422 1429563885 /nfs/dbraw/zinc/56/38/85/1429563885.db2.gz FNVFYPYCBQJSBR-ZRHASKPBSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[N@@H+]1CC[C@]2(C1)CCCCN(C(=O)[C@@H]1CC[NH+](C)[C@@H]1C)C2 ZINC001733392673 1429583519 /nfs/dbraw/zinc/58/35/19/1429583519.db2.gz FWRZUOJZMGOULZ-SBHAEUEKSA-N 2 0 349.563 3.221 10 0 EGAERP Cc1cc(C[NH+]2CC[C@@](C)(NC(=O)CC[C@@H]3CCC[N@H+]3C)C2)cs1 ZINC001733406033 1429603315 /nfs/dbraw/zinc/60/33/15/1429603315.db2.gz LCDSXFJZVMHQCR-PKOBYXMFSA-N 2 0 349.544 3.012 10 0 EGAERP C[C@@H](c1ccc(F)cc1)[N@@H+]1CCC[C@](C)(CNC(=O)CC[NH+](C)C)C1 ZINC001733459933 1429684140 /nfs/dbraw/zinc/68/41/40/1429684140.db2.gz ARJMENDGFCYIRJ-OXJNMPFZSA-N 2 0 349.494 3.057 10 0 EGAERP C[C@H]([NH2+]CCCN(C)C(=O)C[NH+]1CCC(C)CC1)c1ccccc1F ZINC001723158275 1424311386 /nfs/dbraw/zinc/31/13/86/1424311386.db2.gz XALBONOFBGGAKR-KRWDZBQOSA-N 2 0 349.494 3.057 10 0 EGAERP CC[C@@H]1CN(C(=O)CCC[NH+](C)C)CC[C@H]1[NH2+]CCCC(C)(C)C ZINC001723375993 1424376525 /nfs/dbraw/zinc/37/65/25/1424376525.db2.gz CXWAHIRTMDKKCW-QZTJIDSGSA-N 2 0 339.568 3.371 10 0 EGAERP CC/C=C/CC[N@@H+]1CC[C@@H](C2CCN(C(=O)CC[NH+](C)CC)CC2)C1 ZINC001723609435 1424490913 /nfs/dbraw/zinc/49/09/13/1424490913.db2.gz PNOAOWAKAUHMAS-ROUKRRSUSA-N 2 0 349.563 3.245 10 0 EGAERP CC/C=C\CC[NH+]1CC[C@@H](C2CCN(C(=O)C[N@@H+](C)CCC)CC2)C1 ZINC001723609020 1424491078 /nfs/dbraw/zinc/49/10/78/1424491078.db2.gz NMIDRAMCJWRBHD-PXDRNWIDSA-N 2 0 349.563 3.245 10 0 EGAERP CC(C)CC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2C(=O)C[N@H+](C)C1CCC1 ZINC001723614070 1424493831 /nfs/dbraw/zinc/49/38/31/1424493831.db2.gz CNGIWCISDJJAQF-JLYLLQBASA-N 2 0 335.536 3.019 10 0 EGAERP CC(C)CCC[N@@H+]1CCC[C@@]2(CCN(C(=O)C3(C[NH+](C)C)CC3)C2)C1 ZINC001723680884 1424528192 /nfs/dbraw/zinc/52/81/92/1424528192.db2.gz SCRGPELOXNFYEL-HXUWFJFHSA-N 2 0 349.563 3.079 10 0 EGAERP CCCCCC[N@H+](C)CC(=O)N1CC[C@]2(CC[NH+](CC3CCC3)C2)C1 ZINC001723720557 1424545727 /nfs/dbraw/zinc/54/57/27/1424545727.db2.gz BOVRCPASDQMYLK-NRFANRHFSA-N 2 0 349.563 3.223 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(CCN(C(=O)CCC[NH+]3CCCC3)C2)C1 ZINC001723727302 1424550812 /nfs/dbraw/zinc/55/08/12/1424550812.db2.gz QYOBTWWCDKJQEK-YOXWTLATSA-N 2 0 347.547 3.143 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@@H]2CCN(C(=O)CC[NH+](C)C)[C@@H](C)C2)cc1 ZINC001723862358 1424590757 /nfs/dbraw/zinc/59/07/57/1424590757.db2.gz SLGLAGWMYOWXCS-FXAWDEMLSA-N 2 0 345.531 3.231 10 0 EGAERP CCC[N@H+](C)CC(=O)N1CC[C@H]([C@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001733533230 1429739926 /nfs/dbraw/zinc/73/99/26/1429739926.db2.gz ITBRWSIYYUKIGJ-HKUYNNGSSA-N 2 0 349.563 3.125 10 0 EGAERP CC1CCC(C[NH2+]C[C@@H]2CCCN2C(=O)CCC[NH+]2CCCC2)CC1 ZINC001723981926 1424616728 /nfs/dbraw/zinc/61/67/28/1424616728.db2.gz PCVFCXLHZCUTNI-MHJFOBGBSA-N 2 0 349.563 3.269 10 0 EGAERP CC[C@@H](c1ccccc1)[NH+]1CCC(C)(NC(=O)C[NH+]2CCCC2)CC1 ZINC001724026486 1424634137 /nfs/dbraw/zinc/63/41/37/1424634137.db2.gz VDHWZWUBQURTCX-IBGZPJMESA-N 2 0 343.515 3.204 10 0 EGAERP CCC/C=C\CC[NH2+][C@H](C)[C@H]1CCN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC001733537731 1429744017 /nfs/dbraw/zinc/74/40/17/1429744017.db2.gz WQJGNIJJUJNQAF-GLCUZYPYSA-N 2 0 349.563 3.291 10 0 EGAERP CC[C@H](C(=O)N[C@H](C[NH2+]CCC(C)(C)C)C1CCCC1)[NH+](C)C ZINC001724089463 1424656227 /nfs/dbraw/zinc/65/62/27/1424656227.db2.gz QTGRYGNZNGXLGG-IAGOWNOFSA-N 2 0 325.541 3.027 10 0 EGAERP CC(C)c1ccc(C[NH2+][C@H](C)[C@H]2CCN(C(=O)CC[NH+](C)C)C2)cc1 ZINC001733541328 1429747281 /nfs/dbraw/zinc/74/72/81/1429747281.db2.gz YBZUWQVIFKCFIT-XLIONFOSSA-N 2 0 345.531 3.088 10 0 EGAERP CC(C)=CC[NH2+][C@H](C)[C@@H]1CCN(C(=O)CCC[NH+]2CCCCC2)C1 ZINC001733540229 1429746382 /nfs/dbraw/zinc/74/63/82/1429746382.db2.gz QDHCJQLHDJVNBL-RTBURBONSA-N 2 0 335.536 3.045 10 0 EGAERP C[C@H](C(=O)N[C@@]1(C)CC[N@H+](Cc2ccccc2)C1)[NH+]1CCCCCC1 ZINC001724175755 1424710325 /nfs/dbraw/zinc/71/03/25/1424710325.db2.gz PQFYCESHLCAYGC-NQIIRXRSSA-N 2 0 343.515 3.032 10 0 EGAERP CC/C=C/CC[NH2+]C[C@]1(C)CCN(C(=O)[C@@H]2CCCC[N@@H+]2C(C)C)C1 ZINC001724248654 1424754468 /nfs/dbraw/zinc/75/44/68/1424754468.db2.gz DZFRGZMLRQDYKM-GXGIYUIGSA-N 2 0 349.563 3.434 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](C)(C[NH2+]CCC3CCCCC3)C2)C1 ZINC001724251678 1424756678 /nfs/dbraw/zinc/75/66/78/1424756678.db2.gz UPDGYCWVGFMDBA-WIYYLYMNSA-N 2 0 349.563 3.127 10 0 EGAERP CCCCC[NH2+][C@@H](C)[C@@H]1CCN(C(=O)c2ccc(C[NH+](C)C)cc2)C1 ZINC001724552852 1424908849 /nfs/dbraw/zinc/90/88/49/1424908849.db2.gz YLJGNLKQIYHWJJ-FXAWDEMLSA-N 2 0 345.531 3.379 10 0 EGAERP CC[N@H+](C)CCC(=O)N1CC[C@H]([C@@H](C)[NH2+]CC2CCC3(CC3)CC2)C1 ZINC001724556284 1424911243 /nfs/dbraw/zinc/91/12/43/1424911243.db2.gz XDDKVUQYEPEMLZ-MJGOQNOKSA-N 2 0 349.563 3.125 10 0 EGAERP CC(C)CCC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(=O)C[C@@H]1CC[NH+](C)C1)C2 ZINC001733565245 1429766287 /nfs/dbraw/zinc/76/62/87/1429766287.db2.gz DWZOZHFVUYAISP-HAGHYFMRSA-N 2 0 349.563 3.124 10 0 EGAERP CCC/C=C/CC[N@@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)CCC[NH+](C)C ZINC001724655455 1425020526 /nfs/dbraw/zinc/02/05/26/1425020526.db2.gz LYBZAKVHOZOMAB-HMTUNPETSA-N 2 0 335.536 3.140 10 0 EGAERP CCC[NH2+]CC[C@H]1CCN(C(=O)[C@@H]2CCCC[N@@H+]2C2CCCC2)C1 ZINC001724729041 1425081153 /nfs/dbraw/zinc/08/11/53/1425081153.db2.gz UIDHNIVANZUYGD-HKUYNNGSSA-N 2 0 335.536 3.022 10 0 EGAERP C[N@@H+]1CC[C@H](C(=O)N[C@H]2CC[C@H](C[NH2+]CCCC3CCCC3)CC2)C1 ZINC001724755463 1425126400 /nfs/dbraw/zinc/12/64/00/1425126400.db2.gz QAMJRENVVIZKHV-UFYCRDLUSA-N 2 0 349.563 3.173 10 0 EGAERP CC[C@@H](C)C[N@H+](C)CCCN(C)C(=O)[C@H]1CCC[NH+]1C1CCCC1 ZINC001724853991 1425221532 /nfs/dbraw/zinc/22/15/32/1425221532.db2.gz YCYUGYVNWBTTCI-IEBWSBKVSA-N 2 0 337.552 3.220 10 0 EGAERP CN(CCC[N@H+](C)CC1CCC2(CC2)CC1)C(=O)C[C@H]1CC[NH+](C)C1 ZINC001724857697 1425233765 /nfs/dbraw/zinc/23/37/65/1425233765.db2.gz MGEJWXSGPOVYQS-LJQANCHMSA-N 2 0 349.563 3.079 10 0 EGAERP CC/C=C\CC[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CCCC[NH+](C)C)C2 ZINC001724895942 1425288381 /nfs/dbraw/zinc/28/83/81/1425288381.db2.gz CVMJWUHPQFXEPQ-RMUOZIPVSA-N 2 0 349.563 3.389 10 0 EGAERP CC(C)C[N@@H+]1Cc2ccc(CNC(=O)CCCC[NH+](C)C)cc2C1 ZINC001724922891 1425309660 /nfs/dbraw/zinc/30/96/60/1425309660.db2.gz ISCADNNRVOQMHR-UHFFFAOYSA-N 2 0 331.504 3.006 10 0 EGAERP CC(C)[C@@H](C(=O)N[C@H]1CC[N@@H+](C(C)C)CC1(C)C)[NH+]1CCCCC1 ZINC001724979636 1425380842 /nfs/dbraw/zinc/38/08/42/1425380842.db2.gz NLMKKQLGWNVNTG-ROUUACIJSA-N 2 0 337.552 3.122 10 0 EGAERP C[N@H+](CC1CCCC1)C[C@H]1CCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001725056184 1425492698 /nfs/dbraw/zinc/49/26/98/1425492698.db2.gz AARINFPIACMJHF-HXUWFJFHSA-N 2 0 349.563 3.366 10 0 EGAERP C[C@@H](NC(=O)C12CCC[NH+]1CCC2)[C@H](C)[NH2+]CC1CCCCCC1 ZINC001725097173 1425541348 /nfs/dbraw/zinc/54/13/48/1425541348.db2.gz JTWLLUOAXFXIJM-DLBZAZTESA-N 2 0 335.536 3.068 10 0 EGAERP C[C@@H](NC(=O)C[NH+]1CCC(C)CC1)[C@@H](C)[NH2+]CC1CCCCCC1 ZINC001725112288 1425569004 /nfs/dbraw/zinc/56/90/04/1425569004.db2.gz BXWXSQIWXPXDAE-QZTJIDSGSA-N 2 0 337.552 3.172 10 0 EGAERP CC/C=C\CC[NH+]1CC([C@@H](C)NC(=O)c2sccc2C[NH+](C)C)C1 ZINC001725244694 1425860015 /nfs/dbraw/zinc/86/00/15/1425860015.db2.gz AQFONUUNTNCRLO-IDTUSYRASA-N 2 0 349.544 3.216 10 0 EGAERP CCCCC[NH+]1CC([C@H](C)NC(=O)C(C)(C)[N@H+](C)C2CCCC2)C1 ZINC001725258692 1425885416 /nfs/dbraw/zinc/88/54/16/1425885416.db2.gz VQKSZIPEUZZYIC-INIZCTEOSA-N 2 0 337.552 3.266 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)[C@H]2CCC[NH+]2C(C)C)C(C)(C)C1 ZINC001725282236 1425917505 /nfs/dbraw/zinc/91/75/05/1425917505.db2.gz BXBIUCDMMSJQDT-JCMVTEASSA-N 2 0 349.563 3.432 10 0 EGAERP CCCC[N@@H+]1C[C@H](NC(=O)CC[NH+](C)C2CCCCC2)C(C)(C)C1 ZINC001725292539 1425937803 /nfs/dbraw/zinc/93/78/03/1425937803.db2.gz IKYVLJNORAKKEB-SFHVURJKSA-N 2 0 337.552 3.268 10 0 EGAERP CCC/C=C\CC[N@@H+]1C[C@H](NC(=O)C[NH+](C)C2CCC2)C(C)(C)C1 ZINC001725293189 1425939294 /nfs/dbraw/zinc/93/92/94/1425939294.db2.gz XTRWZHFBFKJRQM-ZEVQVBBLSA-N 2 0 335.536 3.044 10 0 EGAERP C[N@@H+]1CCC[C@H]1C(=O)N[C@H](CCC[NH2+]CC1CCC1)c1ccccc1 ZINC001725438999 1426100502 /nfs/dbraw/zinc/10/05/02/1426100502.db2.gz GOKFPENOQGYBPF-UXHICEINSA-N 2 0 343.515 3.108 10 0 EGAERP O=C(CCC[NH+]1CCCC1)N[C@]12CCC[C@H]1[N@H+](CC1CCCC1)CC2 ZINC001725618149 1426282202 /nfs/dbraw/zinc/28/22/02/1426282202.db2.gz CUDDRNHDELZPCJ-CTNGQTDRSA-N 2 0 347.547 3.166 10 0 EGAERP C[NH+](C)CCCCC(=O)N[C@@]12CCC[C@@H]1[N@H+](Cc1ccsc1)CC2 ZINC001725622926 1426288911 /nfs/dbraw/zinc/28/89/11/1426288911.db2.gz IGDWRQOHCCAMBF-PKOBYXMFSA-N 2 0 349.544 3.093 10 0 EGAERP CCC/C=C\CC[NH2+][C@@H]1CN(C(=O)CC[C@@H]2CCC[N@@H+]2C)CC1(C)C ZINC001725660160 1426342783 /nfs/dbraw/zinc/34/27/83/1426342783.db2.gz FCTVISRJMGQLBX-AWTIPJNISA-N 2 0 349.563 3.434 10 0 EGAERP CC/C=C/CC[NH+]1CCC([C@@H](C)NC(=O)C23CCC[NH+]2CCC3)CC1 ZINC001725763295 1426445059 /nfs/dbraw/zinc/44/50/59/1426445059.db2.gz QDSNCIAFNMINBE-SHCNBLLESA-N 2 0 347.547 3.188 10 0 EGAERP Cc1ccccc1[C@@H](C)[NH+]1CCC([C@H](C)NC(=O)CC[NH+](C)C)CC1 ZINC001725769310 1426452675 /nfs/dbraw/zinc/45/26/75/1426452675.db2.gz FKKGVZGVTPDHHR-ZWKOTPCHSA-N 2 0 345.531 3.224 10 0 EGAERP CC[N@H+](C)CCC(=O)NCC1=CC[NH+](CC[C@@H]2CCC[C@@H](C)C2)CC1 ZINC001725824207 1426498155 /nfs/dbraw/zinc/49/81/55/1426498155.db2.gz APZHUGHQYIAABW-MOPGFXCFSA-N 2 0 349.563 3.293 10 0 EGAERP CC(C)(C)CCC[N@H+]1CC=C(CNC(=O)CC[NH+]2CCCCC2)CC1 ZINC001725830037 1426507870 /nfs/dbraw/zinc/50/78/70/1426507870.db2.gz OHZUNQOONLFTBW-UHFFFAOYSA-N 2 0 349.563 3.437 10 0 EGAERP Cc1ccccc1C[N@@H+](C)CCCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC001731274033 1427219934 /nfs/dbraw/zinc/21/99/34/1427219934.db2.gz GKHTTZLICSILSD-UHFFFAOYSA-N 2 0 345.531 3.054 10 0 EGAERP CC(C)c1ccc([C@H](C)[N@H+](C)CCCNC(=O)[C@H]2CC[NH+](C)C2)cc1 ZINC001731283093 1427226856 /nfs/dbraw/zinc/22/68/56/1427226856.db2.gz OHNAEFIZLFXOAZ-PXNSSMCTSA-N 2 0 345.531 3.261 10 0 EGAERP C[C@@H]([NH2+]CC1CCC1)[C@H]1CCCCN1C(=O)CCCC[NH+]1CCCC1 ZINC001731298716 1427240996 /nfs/dbraw/zinc/24/09/96/1427240996.db2.gz YTRYLXZMYJVWNC-UYAOXDASSA-N 2 0 349.563 3.412 10 0 EGAERP CC[N@H+](CCCNC(=O)[C@H]1CC[C@@H]2CCCC[NH+]12)CCC1CCCC1 ZINC001731308919 1427250405 /nfs/dbraw/zinc/25/04/05/1427250405.db2.gz LTQGOIZJXCGHNF-VQTJNVASSA-N 2 0 349.563 3.412 10 0 EGAERP CCCN(C(=O)[C@H]1CCC[C@@H]([NH+](C)C)C1)C1CC[NH+](CC2CC2)CC1 ZINC001731388218 1427337274 /nfs/dbraw/zinc/33/72/74/1427337274.db2.gz YOEZDLXPTGZNHO-AZUAARDMSA-N 2 0 349.563 3.220 10 0 EGAERP C[C@H]1C[C@@H](C(=O)NC[C@@H]([NH2+]CCC2=CCCCC2)C2CC2)CC[N@@H+]1C ZINC001731402402 1427363198 /nfs/dbraw/zinc/36/31/98/1427363198.db2.gz LFLPGTXKRQRILQ-FFZOFVMBSA-N 2 0 347.547 3.092 10 0 EGAERP CC/C=C/CC[NH+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC001731429096 1427410452 /nfs/dbraw/zinc/41/04/52/1427410452.db2.gz QPGQERNAGUBBGQ-BNLAEDIXSA-N 2 0 347.547 3.140 10 0 EGAERP CCC/C=C\CC[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731498971 1427477095 /nfs/dbraw/zinc/47/70/95/1427477095.db2.gz BNWHAGUEYPVZFT-LIXSYLKWSA-N 2 0 349.563 3.435 10 0 EGAERP O=C(CCC[NH+]1CCCCC1)NC[C@H]1CCC[N@H+](CC2CCCC2)C1 ZINC001731507473 1427495262 /nfs/dbraw/zinc/49/52/62/1427495262.db2.gz CNQFDSKELZKDRI-HXUWFJFHSA-N 2 0 349.563 3.271 10 0 EGAERP CCCC[NH2+]C[C@@H]1CCCCN1C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731547824 1427564624 /nfs/dbraw/zinc/56/46/24/1427564624.db2.gz CPOVXEVKZLICJE-SFHVURJKSA-N 2 0 337.552 3.410 10 0 EGAERP CC/C=C\CC[NH2+]C1CCC(NC(=O)C23CCC[NH+](CCC2)C3)CC1 ZINC001731569216 1427608932 /nfs/dbraw/zinc/60/89/32/1427608932.db2.gz UJHLWIJOFLZDNI-ARJAWSKDSA-N 2 0 347.547 3.236 10 0 EGAERP CCCCC[NH2+]C1CCC(NC(=O)C2CC[NH+](CC3CC3)CC2)CC1 ZINC001731572853 1427615671 /nfs/dbraw/zinc/61/56/71/1427615671.db2.gz NKZKFVDZWXSTHV-UHFFFAOYSA-N 2 0 349.563 3.316 10 0 EGAERP CC(C)[NH+]1CCC(C(=O)NC[C@H](C)[NH2+]CCC2CCCCC2)CC1 ZINC001731628456 1427679276 /nfs/dbraw/zinc/67/92/76/1427679276.db2.gz KTZTWXBKNRUOGL-KRWDZBQOSA-N 2 0 337.552 3.172 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731672215 1427721319 /nfs/dbraw/zinc/72/13/19/1427721319.db2.gz QWLLVAGBURVMKJ-QGZVFWFLSA-N 2 0 337.552 3.125 10 0 EGAERP CC(C)(C)CCC[NH2+]C[C@@H]1CCN(C(=O)C(C)(C)[NH+]2CCCC2)C1 ZINC001731672214 1427721396 /nfs/dbraw/zinc/72/13/96/1427721396.db2.gz QWLLVAGBURVMKJ-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP O=C(CC[NH+]1CCCCC1)N1CC[C@@H](C[NH2+]CCC2=CCCCC2)C1 ZINC001731680394 1427727999 /nfs/dbraw/zinc/72/79/99/1427727999.db2.gz BBONOGVFCNZUHA-FQEVSTJZSA-N 2 0 347.547 3.191 10 0 EGAERP CCC(CC)C[N@H+](CCNC(=O)[C@@H]1CCC[C@H]2CCC[NH+]21)C1CC1 ZINC001731882629 1428154039 /nfs/dbraw/zinc/15/40/39/1428154039.db2.gz PTZOEUWIKCVWIL-OALUTQOASA-N 2 0 335.536 3.020 10 0 EGAERP CN(CC[NH2+]CCC1CCCC1)C(=O)C(C)(C)[N@H+](C)C1CCCC1 ZINC001731926091 1428172597 /nfs/dbraw/zinc/17/25/97/1428172597.db2.gz SPNBTSGOLHUPKG-UHFFFAOYSA-N 2 0 337.552 3.268 10 0 EGAERP CC(C)CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)[NH+]3CCCCCC3)C[C@H]2C1 ZINC001733576802 1429780540 /nfs/dbraw/zinc/78/05/40/1429780540.db2.gz BCBGTFVXFCYUNQ-AQNXPRMDSA-N 2 0 349.563 3.077 10 0 EGAERP O=C([C@H]1CCCC[N@@H+]1C1CCCC1)N1CC[C@H](CC[NH2+]CC2CC2)C1 ZINC001733661241 1429853147 /nfs/dbraw/zinc/85/31/47/1429853147.db2.gz PCWJAHCZBGGUBR-AZUAARDMSA-N 2 0 347.547 3.022 10 0 EGAERP C[C@@H]1CC[N@H+](CC(=O)N2CC[C@H](CC[NH2+]CC3CCCCCC3)C2)C1 ZINC001733664845 1429858891 /nfs/dbraw/zinc/85/88/91/1429858891.db2.gz CVPBPYOIDGHSGL-QUCCMNQESA-N 2 0 349.563 3.127 10 0 EGAERP CCC[N@H+](C)CCC(=O)N1CC2(C1)CC[NH+](CC(CC)CC)CC2 ZINC001733695730 1429913479 /nfs/dbraw/zinc/91/34/79/1429913479.db2.gz OEXAGAFVGQEBHT-UHFFFAOYSA-N 2 0 337.552 3.079 10 0 EGAERP CC(C)[N@H+](C)CC(=O)N1CCC[C@@H]([C@H]2CCC[NH+](CC3CCC3)C2)C1 ZINC001733782533 1430049354 /nfs/dbraw/zinc/04/93/54/1430049354.db2.gz JXGWCGHSLIKNGB-VQTJNVASSA-N 2 0 349.563 3.077 10 0 EGAERP CCC1([NH2+]CC2CC(C)C2)CCN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)CC1 ZINC001733805467 1430075400 /nfs/dbraw/zinc/07/54/00/1430075400.db2.gz QKYOBCYDCCXJOC-JEVOJNTISA-N 2 0 349.563 3.124 10 0 EGAERP CC(C)[NH+]1CCC(CCCCCNC(=O)[C@H]2C[NH+]3CCC2CC3)CC1 ZINC001733807859 1430079574 /nfs/dbraw/zinc/07/95/74/1430079574.db2.gz OUWLFQMQIXZDAP-FQEVSTJZSA-N 2 0 349.563 3.125 10 0 EGAERP CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCC(CC)([NH2+]CC2CCC2)CC1 ZINC001733808863 1430083119 /nfs/dbraw/zinc/08/31/19/1430083119.db2.gz ASFFEUCOOFRIEA-GOSISDBHSA-N 2 0 335.536 3.022 10 0 EGAERP C[C@@H]1C[C@H](NC(=O)C(C)(C)[NH+](C)C2CCCC2)CC[N@@H+]1CC1CC1 ZINC001733897907 1437715671 /nfs/dbraw/zinc/71/56/71/1437715671.db2.gz FNOLGSGKQHITGQ-NVXWUHKLSA-N 2 0 335.536 3.019 10 0 EGAERP CC[N@H+](CC1CC2(CCC2)C1)CC1CCN(C(=O)CC[NH+](C)C)CC1 ZINC001733919762 1437733381 /nfs/dbraw/zinc/73/33/81/1437733381.db2.gz JINRLCKPQPIPHW-UHFFFAOYSA-N 2 0 349.563 3.079 10 0 EGAERP Cc1ccc(C[NH2+][C@H](C)[C@H](C)NC(=O)CC[NH+]2CCCCC2)cc1C ZINC001734000813 1437793883 /nfs/dbraw/zinc/79/38/83/1437793883.db2.gz GWIXFPGAGYLAOQ-MOPGFXCFSA-N 2 0 345.531 3.162 10 0 EGAERP C[C@H](NC(=O)CCC[NH+]1CCCCC1)[C@H](C)[NH2+]CCC(C)(C)C ZINC001734006319 1437797976 /nfs/dbraw/zinc/79/79/76/1437797976.db2.gz XHKOKPWKPDOFOT-IRXDYDNUSA-N 2 0 325.541 3.172 10 0 EGAERP C[N@@H+]1CC[C@@H](C(=O)NC2(C[NH2+]CCC3=CCCCC3)CCCCC2)C1 ZINC001734092746 1437877012 /nfs/dbraw/zinc/87/70/12/1437877012.db2.gz SFIJAICXENVANQ-LJQANCHMSA-N 2 0 347.547 3.237 10 0 EGAERP CCCCC[N@@H+]1CCCCC[C@@H]1CNC(=O)[C@@H]1CCC[NH+]1C(C)C ZINC001734098801 1437883050 /nfs/dbraw/zinc/88/30/50/1437883050.db2.gz DRSOCRNQEQEUGY-MOPGFXCFSA-N 2 0 337.552 3.410 10 0 EGAERP CCC[N@H+](C)CCC(=O)N[C@H]1C[NH+]([C@H](C)c2ccccc2)CC1(C)C ZINC001734155156 1437921649 /nfs/dbraw/zinc/92/16/49/1437921649.db2.gz PNIIRNVUHQNJPP-MJGOQNOKSA-N 2 0 345.531 3.306 10 0 EGAERP C[C@H](CCC[NH2+]CC1CCC2(CC2)CC1)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC001734237142 1437953253 /nfs/dbraw/zinc/95/32/53/1437953253.db2.gz IODHKSSNSZJRQG-ZHALLVOQSA-N 2 0 349.563 3.172 10 0 EGAERP Cc1ccc(C)c(C[NH2+]CCC[C@H](C)NC(=O)C[C@@H]2CC[N@H+](C)C2)c1 ZINC001734258361 1437974334 /nfs/dbraw/zinc/97/43/34/1437974334.db2.gz CYTDAIHCNLNLHC-OALUTQOASA-N 2 0 345.531 3.020 10 0 EGAERP Cc1ccc(C)c([C@H](C)[NH2+][C@H](C)CN(C)C(=O)C2(C[NH+](C)C)CC2)c1 ZINC001734338549 1438059930 /nfs/dbraw/zinc/05/99/30/1438059930.db2.gz FJDFSGMIEGEXSA-MSOLQXFVSA-N 2 0 345.531 3.143 10 0 EGAERP CCCCC[NH2+][C@@H]1CCC[C@@H]2CN(C(=O)C34CCC[NH+]3CCC4)C[C@H]21 ZINC001734444803 1438105999 /nfs/dbraw/zinc/10/59/99/1438105999.db2.gz KEWHAPJPTSEDEL-GUDVDZBRSA-N 2 0 347.547 3.022 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@]12CCC[C@H]1[NH+](C[C@H](C)CC(C)C)CC2 ZINC001734444672 1438106246 /nfs/dbraw/zinc/10/62/46/1438106246.db2.gz VWGTXESFXJHVTC-GGPKGHCWSA-N 2 0 337.552 3.124 10 0 EGAERP C[NH+]1CCC(CC(=O)N[C@H]2CC[C@H](C[NH2+]CCC(C)(C)C)C2)CC1 ZINC001734482649 1438127650 /nfs/dbraw/zinc/12/76/50/1438127650.db2.gz JTZLRLQRYLVTMG-ROUUACIJSA-N 2 0 337.552 3.029 10 0 EGAERP CCC[N@H+](C)CCN(C(=O)[C@H]1CC[NH+](C2CCCCC2)C1)C(C)C ZINC001734547764 1438143754 /nfs/dbraw/zinc/14/37/54/1438143754.db2.gz OOMVIRQALNGFEJ-SFHVURJKSA-N 2 0 337.552 3.220 10 0 EGAERP CC(C)=CC[NH2+]C[C@H](NC(=O)[C@@H](C(C)C)[NH+]1CCCC1)C(C)(C)C ZINC001734576869 1438169781 /nfs/dbraw/zinc/16/97/81/1438169781.db2.gz PWOLRECCYQKMAE-ZWKOTPCHSA-N 2 0 337.552 3.194 10 0 EGAERP CC[N@H+](C)CCC(=O)N[C@@H](C)C1CC[NH+](CCC2CCCC2)CC1 ZINC001734588016 1438177776 /nfs/dbraw/zinc/17/77/76/1438177776.db2.gz ZQYLRLHECQNZAX-KRWDZBQOSA-N 2 0 337.552 3.125 10 0 EGAERP CC[C@@H](C(=O)N(C)C1CC([NH2+]Cc2cccc(C)c2)C1)[NH+](CC)CC ZINC001734599083 1438182048 /nfs/dbraw/zinc/18/20/48/1438182048.db2.gz QCGJLLPNZFDPGD-MHJFOBGBSA-N 2 0 345.531 3.194 10 0 EGAERP